CSFF: Chemical Python Simplified Force Field by Warren L. DeLano A 1.008 0.161 H bonded to nitrogen atoms D2 12.01 0.360 nitrile C (Howard et al.JDJ,16,243,1995) D3 12.01 0.360 sp2 C atom in the middle of: C=D3-D3=C D4 12.01 0.878 sp3 aliphatic C DA 12.01 0.360 sp2 C pure aromatic (benzene) DJ 12.01 0.616 ! sp2 C carbonyl group J1 14.01 0.530 nitrile N (Howard et al.JDJ,16,243,1995) J3 14.01 0.530 sp2 N in 5 memb.ring w/H atom (HIS) J4 14.01 0.530 sp3 N for charged amino groups (Lys, etc) JA 14.01 0.530 sp2 nitrogen in amide groups JN 14.01 0.530 sp2 negatively charge Q1 16.00 0.434 carbonyl group oxygen Q2 16.00 0.465 oxygen in TIP3P water QN 16.00 0.434 carboxyl and phosphate group oxygen R1 19.00 0.320 fluorine R2 35.45 1.910 chlorine (Applequist) R3 79.90 2.880 bromine (Applequist) R4 126.9 4.690 iodine (Applequist) T2 32.06 2.900 S in disulfide linkage,pol:JPC,102,2399,98 T4 32.06 2.900 S in sulfate, sulfonamide (WLD) TA 32.06 2.900 sulphur in benzothiazole ring QA 16.00 0.434 delocalized, cationic oxygen T1 32.06 2.900 Thiocarbonyl A J1 J2 J3 J4 JN Q1 Q2 QN A -A 553.0 1.5136 TIP3P water A -D2 400.0 1.056 Howard et al JDJ,16,243,1995 A -D3 367.0 1.080 combination of 4 A -D4 340.0 1.090 combination of 5 A -DA 367.0 1.079 combination of 10 A -DJ 367.0 1.080 combination of 2 A -J3 434.0 1.010 combination of 4 A -J4 434.0 1.010 combination of 2 A -Q2 553.0 0.959 combination of 3 A -T2 274.0 1.336 JDJ,7,(1986),230; D2S D2-D2 534.5 1.197 combination of 2 D2-D4 372.3 1.464 combination of 3 D2-DA 448.5 1.433 combination of 2 D2-J1 600.0 1.150 Howard et al JDJ,16,243,1995 D3-D3 522.3 1.367 combination of 3 D3-D4 317.0 1.510 combination of 2 D3-DA 427.0 1.433 JDJ,7,(1986),230; D2T D3-DJ 410.0 1.444 JDJ,7,(1986),230; THY,URA D3-J3 448.0 1.365 JDJ,7,(1986),230; D2T,THY,URA D3-Q2 480.0 1.240 Junmei et al, 1999 D4-D4 310.0 1.526 JDJ,7,(1986),230; AA, SUGARS D4-DA 317.0 1.497 combination of 6 D4-DJ 317.0 1.513 combination of 2 D4-J3 337.0 1.466 combination of 4 D4-J4 367.0 1.471 combination of 2 D4-P 230.0 1.825 RSM, based on Xray analysis D4-Q2 320.0 1.410 combination of 2 D4-R1 367.0 1.380 JDJ,13,(1992),963;DA4; R0=1.332 FOR CHF3 D4-R2 232.0 1.766 6-31g* opt D4-R3 159.0 1.944 Junmei et al,99 D4-R4 148.0 2.166 Junmei et al,99 D4-T2 232.0 1.810 combination of 2 DA-DA 502.8 1.381 combination of 5 DA-DJ 470.8 1.403 combination of 6 DA-J3 436.8 1.376 combination of 9 DA-JA 459.8 1.348 combination of 8 DA-Q2 428.8 1.370 combination of 4 DA-R1 386.0 1.359 Junmei et al,99 DA-R2 310.0 1.724 combination of 2 DA-R3 172.0 1.890 Junmei et al,99 DA-R4 171.0 2.075 Junmei et al,99 DA-T2 367.0 1.715 combination of 2 DA-T4 427.0 1.761 RSM, based on Xray analysis DA-TA 327.0 1.740 combination of 2 DJ-DJ 440.0 1.434 combination of 6 DJ-J3 442.7 1.369 combination of 7 DJ-JA 434.0 1.381 combination of 5 DJ-Q1 570.0 1.229 combination of 2 DJ-Q2 429.6 1.355 combination of 5 DJ-QN 656.0 1.250 JDJ,7,(1986),230; GLU,ASP J4-T4 230.0 1.615 RSM, based on Xray analysis Q1-T4 525.0 1.430 RSM, based on Xray analysis, WLD QN->O QN-T4 525.0 1.430 RSM, based on Xray analysis T2-T2 166.0 2.038 JDJ,7,(1986),230; D2X (SCHERAGA) A -QN 434.0 1.010 INCORRECT HYDROGEN A -JN 434.0 1.010 INCORRECT HYDROGEN A -JA 434.0 1.010 WLD from A -J3 D2-DJ 428.0 1.425 WLD from CA-D2 D2-D3 450.0 1.331 WLD gross estimate D2-Q2 480.0 1.240 WLD from D3-Q2 D2-J3 428.0 1.425 WLD from CA-D2 D2-JA 428.0 1.425 WLD from CA-D2 D2-T2 375.0 1.750 WLD gross estimate D2-R1 386.0 1.359 WLD from DA-R1 D2-R2 310.0 1.724 WLD from DJ-R2 D2-R3 172.0 1.890 WLD from DJ-R3 D2-R4 171.0 2.075 WLD from DJ-R4 D3-J1 450.0 1.300 WLD gross estimate D3-JA 448.0 1.365 WLD from D3-J3 D3-Q1 570.0 1.229 WLD from DJ-Q1 D3-R1 386.0 1.359 WLD from DA-R1 D3-R2 310.0 1.724 WLD from DJ-R2 D3-R3 172.0 1.890 WLD from DJ-R3 D3-R4 171.0 2.075 WLD from DJ-R4 D3-T2 367.0 1.715 WLD from DA-T2 D3-TA 367.0 1.715 WLD from DA-T2 D3-T4 427.0 1.761 WLD from DA-T4 D4-JA 337.0 1.463 WLD from CT-N2 D4-TA 232.0 1.810 WLD from D4-T2 D4-T4 232.0 1.810 WLD from D4-T2 DA-QA 400.0 1.292 WLD, gross estimate DJ-QA 400.0 1.292 WLD, gross estimate DJ-T1 500.0 1.629 WLD gross estimate DJ-R1 386.0 1.359 WLD from DA-R1 DJ-R2 310.0 1.724 WLD from DJ-R2 DJ-R3 172.0 1.890 WLD from DJ-R3 DJ-R4 171.0 2.075 WLD from DJ-R4 DJ-T4 427.0 1.761 WLD from DA-T4 DJ-J4 448.0 1.365 WLD from D3-J3 DJ-JN 448.0 1.365 WLD from D3-J3 DJ-T2 367.0 1.715 WLD from DA-T2 DJ-TA 327.0 1.740 WLD from DA-TA J3-JA 453.7 1.360 WLD gross estimate J3-J3 453.7 1.360 WLD gross estimate J3-J4 453.7 1.430 WLD gross estimate J3-JN 453.7 1.360 WLD gross estimate J3-Q2 453.7 1.400 WLD gross estimate J3-R2 310.0 1.650 WLD gross estimate J3-T4 327.0 1.740 WLD from DA-TA J3-TA 327.0 1.740 WLD from DA-TA JA-JA 453.7 1.360 WLD gross estimate JA-J1 448.0 1.365 WLD gross estimate (azide hack) JA-Q1 500.0 1.300 WLD gross estimate JA-QN 500.0 1.300 WLD gross estimate JA-Q2 453.7 1.370 WLD gross estimate JA-T2 427.0 1.680 WLD gross estimate JA-TA 427.0 1.600 WLD gross estimate JA-T4 427.0 1.680 WLD gross estimate J3-T2 230.0 1.615 WLD from J4-T4 J3-QN 500.0 1.250 WLD gross estimate J4-QN 500.0 1.250 WLD gross estimate J4-R2 310.0 1.700 WLD gross estimate JN-T4 230.0 1.615 WLD from J4-T4 R2-T2 310.0 2.100 WLD gross estimate Q2-Q2 453.7 1.370 WLD gross estimate Q2-T4 525.0 1.500 WLD gross estimate TA-TA 166.0 2.038 WLD from T2-T2 TA-T4 166.0 2.038 WLD from T2-T2 T2-T4 166.0 2.038 WLD from T2-T2 A -A -Q2 0. 127.74 (found in crystallographic water with 3 bonds) A -D2-D2 50.0 180.00 Junmei et al, 1999 A -D3-A 35.0 119.50 combination of 2 A -D3-D3 50.0 119.88 combination of 5 A -D3-D4 50.0 120.00 Junmei et al, 1999 A -D3-DA 50.0 123.30 combination of 2 A -D3-DJ 50.0 119.70 combination of 2 A -D3-J3 50.0 119.10 A -D3-Q2 50.0 113.00 Junmei et al, 1999 A -D4-A 35.0 109.50 combination of 4 A -D4-D2 46.2 109.88 combination of 4 A -D4-D3 50.0 109.50 combination of 3 A -D4-D4 50.0 109.50 combination of 4 A -D4-DA 48.5 109.50 combination of 10 A -D4-DJ 50.0 109.50 combination of 5 A -D4-J3 50.0 109.50 combination of 5 A -D4-J4 50.0 109.50 combination of 4 A -D4-P 35.0 109.50 RSM, estimated A -D4-Q2 46.2 109.50 combination of 4 A -D4-R1 50.0 109.50 combination of 2 A -D4-R2 50.0 108.50 (6-31g* opt value) A -D4-R3 50.0 106.50 Junmei et al 99 A -D4-T2 50.0 109.50 combination of 2 A -DA-DA 41.4 122.72 combination of 7 A -DA-DJ 46.2 120.95 combination of 8 A -DA-J3 46.2 120.76 combination of 4 A -DA-JA 45.0 120.15 combination of 6 A -DA-T2 35.0 122.60 RSM, from xray data A -DJ-D3 50.0 115.00 Junmei et al, 1999 A -DJ-D4 50.0 115.00 Junmei et al, 1999 A -DJ-DA 50.0 120.00 WLD from (A -DJ-C) A -DJ-DJ 50.0 120.00 Junmei et al, 1999 A -DJ-J3 50.0 120.00 Junmei et al, 1999 A -DJ-Q1 50.0 119.50 combination of 2 A -DJ-Q2 50.0 111.33 combination of 3 A -J3-A 35.0 120.00 combination of 2 A -J3-D3 50.0 121.20 for unmethylated n.a. bases,chngd bsd NMA nmodes A -J3-D4 50.0 118.22 combination of 2 A -J3-DA 45.0 120.49 combination of 7 A -J3-DJ 47.9 120.70 combination of 7 A -J4-A 35.0 109.50 combination of 2 A -J4-D4 50.0 109.50 combination of 2 A -J4-T4 30.0 115.43 combination of 2 A -Q2-A 100. 104.52 TIP3P water A -Q2-D4 55.0 108.50 A -Q2-DA 50.0 113.00 replacement in tyr A -Q2-DJ 50.0 113.00 (not used in tyr anymore) A -T2-A 35.0 92.07 AA cys A -T2-D4 43.0 96.00 changed from 44.0 based on methanethiol nmodes D2-D2-D4 75.0 180.00 combination of 2 D2-D2-DA 70.0 180.00 combination of 2 D2-D4-D4 58.7 109.83 combination of 3 D2-D4-DA 40.0 111.00 RSM, based on CSD analysis D2-D4-Q2 50.0 110.00 combination of 4 D2-DA-DA 70.0 126.55 combination of 2 D2-DA-Q2 70.0 113.70 RSM, based on Xray analysis D3-D3-D3 63.0 120.00 Junmei et al, 1999 D3-D3-D4 70.0 119.90 combination of 3 D3-D3-DA 63.0 117.00 changed from 85.0 bsd on C6H6 nmodes; J3 cyt D3-D3-DJ 63.0 120.70 changed from 85.0 bsd on C6H6 nmodes; J3 thy D3-D3-J3 70.0 121.20 D3-D3-Q2 80.0 125.00 Junmei et al, 1999 D3-D4-D4 63.0 111.00 Junmei et al, 1999 (last change: Mar24,99) D3-D4-Q2 50.0 109.50 Junmei et al, 1999 D3-DA-J3 70.0 120.10 D3-DA-JA 70.0 121.50 D3-DJ-J3 70.0 114.10 D3-DJ-Q1 80.0 125.30 D3-J3-D4 70.0 121.20 D3-J3-DJ 70.0 121.60 D3-Q2-D4 60.0 117.00 Junmei et al, 1999 D4-D2-J1 80.0 180.00 Junmei et al, 1999 D4-D3-DJ 70.0 119.70 D4-D4-D4 40.0 109.50 D4-D4-DA 60.8 113.30 combination of 6 D4-D4-DJ 63.0 112.10 combination of 2 D4-D4-J3 72.5 110.02 combination of 4 D4-D4-J4 80.0 111.20 combination of 2 D4-D4-P 50.0 109.50 RSM, estimated D4-D4-Q2 50.0 109.50 combination of 2 D4-D4-R1 50.0 109.00 D4-D4-R2 50.0 108.50 (6-31g* opt value) D4-D4-R3 50.0 108.00 Junmei et al 99 D4-D4-R4 50.0 106.00 Junmei et al,99 D4-D4-T2 50.0 111.65 combination of 2 D4-DA-DA 70.0 127.68 combination of 4 D4-DA-DJ 66.5 124.30 combination of 2 D4-DA-J3 70.0 120.00 RSM, based on DJ-DA-J3 D4-DA-JA 70.0 121.40 combination of 3 D4-DA-Q2 70.0 115.07 combination of 3 D4-DA-TA 70.0 120.30 RSM, estimated from xray data D4-DJ-D4 63.0 117.00 Junmei et al, 1999 D4-DJ-DA 70.0 120.00 combination of 3 D4-DJ-J3 70.0 118.30 combination of 2 D4-DJ-JA 70.0 120.00 AA his D4-DJ-Q1 75.0 123.45 combination of 2 D4-DJ-Q2 80.0 112.50 combination of 2 D4-DJ-QN 70.0 117.00 D4-J3-D4 63.3 116.53 combination of 3 D4-J3-DA 65.0 123.97 combination of 4 D4-J3-DJ 66.0 121.06 combination of 5 D4-J4-D4 50.0 109.50 combination of 2 D4-J4-T4 50.0 121.20 combination of 2 D4-P -Q2 100.0 104.80 RSM, from CSD analysis D4-P -QN 100.0 108.00 RSM, from CSD analysis D4-Q2-D4 60.0 109.50 D4-Q2-DJ 57.5 118.22 combination of 2 D4-T2-D4 62.0 98.90 AA met D4-T2-T2 68.0 103.70 AA cyx (SCHERAGA JPC 79,1428) DA-D4-DA 50.0 109.50 RSM, assumed DA-D4-J3 71.5 109.90 combination of 2 DA-D4-J4 80.0 111.20 WLD from DJ-D4-J4 DA-D4-Q2 58.7 109.90 combination of 3 DA-D4-R1 50.0 111.75 combination of 2 DA-D4-R2 50.0 113.50 WLD guess DA-D4-R3 50.0 113.00 WLD guess DA-D4-T2 50.0 109.30 RSM, from xray DA-DA-DA 64.8 116.78 combination of 4 DA-DA-DJ 63.0 116.60 combination of 4 DA-DA-J3 68.8 118.12 combination of 6 DA-DA-JA 70.0 117.50 combination of 2 DA-DA-Q2 70.0 113.91 combination of 3 DA-DA-R1 70.0 121.00 Junmei et al,99 DA-DA-R2 70.0 119.40 combination of 2 DA-DA-R3 70.0 118.80 Junmei et al,99 DA-DA-R4 70.0 118.80 Junmei et al,99 DA-DA-T4 70.0 120.00 combination of 2 DA-DA-TA 70.0 109.20 RSM, based on Xray analysis DA-DJ-DA 63.0 127.45 combination of 2 DA-DJ-DJ 63.0 117.95 combination of 6 DA-DJ-J3 71.7 122.13 combination of 6 DA-DJ-JA 70.0 127.80 combination of 3 DA-DJ-Q1 75.0 120.00 combination of 2 DA-DJ-Q2 70.0 122.50 combination of 4 DA-DJ-QN 70.0 120.00 WLD from DA-DJ-Q2 DA-J3-DA 63.3 122.80 combination of 3 DA-J3-DJ 70.0 118.33 combination of 7 DA-JA-DA 70.0 114.24 combination of 5 DA-JA-DJ 70.0 111.65 combination of 6 DA-Q2-DA 70.0 106.30 RSM, estimated from xray analysis DA-Q2-DJ 70.0 104.66 combination of 3 DA-T2-DA 80.0 90.10 RSM, from xray DA-T4-J4 62.0 107.10 combination of 2 DA-T4-Q1 100.0 107.80 RSM, estimated from xray data, WLD QN->O DA-T4-QN 100.0 107.80 combination of 2 DA-TA-DA 62.0 89.30 RSM, estimated from xray data DJ-D4-J3 63.0 105.85 combination of 2 DJ-D4-J4 80.0 111.20 AA amino terminal residues DJ-D4-Q2 61.0 109.70 combination of 3 DJ-DA-DJ 63.0 120.00 RSM, estimated DJ-DA-J3 70.0 121.75 combination of 2 DJ-DA-JA 70.0 115.37 combination of 3 DJ-DA-T2 70.0 110.20 RSM, from xray data DJ-DJ-DJ 63.0 119.20 changed from 85.0 bsd on C6H6 nmodes; J3 gua DJ-DJ-J3 70.0 106.57 combination of 4 DJ-DJ-JA 70.0 118.90 combination of 4 DJ-DJ-Q1 80.0 124.40 combination of 2 DJ-DJ-Q2 73.3 112.95 combination of 3 DJ-J3-DJ 70.0 123.20 combination of 2 DJ-Q2-DJ 55.0 120.40 RSM, estimated J3-D4-J3 50.0 109.50 RSM, estimated J3-D4-Q2 65.0 109.60 combination of 2 J3-D4-T2 50.0 114.70 WLD from D4-D4-S J3-DA-J3 70.0 118.67 combination of 3 J3-DA-JA 70.0 120.96 combination of 5 J3-DA-Q2 70.0 116.40 RSM, estimated J3-DA-T2 70.0 123.20 RSM, estimated J3-DJ-J3 70.0 113.13 combination of 3 J3-DJ-JA 70.0 122.40 combination of 2 J3-DJ-Q1 77.5 123.10 combination of 4 J4-T4-J4 100.0 106.80 combination of 3 J4-T4-Q1 100.0 107.10 RSM, estimated from xray data, WLD QN->O J4-T4-QN 100.0 107.10 combination of 2 JA-DA-JA 70.0 129.10 JA-DA-Q2 70.0 114.60 RSM, from xray data JA-DA-T2 70.0 113.60 RSM, from xray data JA-DA-TA 70.0 115.50 RSM, estimated from xray data JA-DJ-Q1 80.0 122.50 Q1-DJ-Q1 80.0 126.00 AA COO- terminal residues Q1-DJ-Q2 80.0 122.50 combination of 2 Q1-T4-Q1 140.0 119.70 RSM, estimated from xray data, WLD QN->O Q2-D4-Q2 160.0 101.00 Junmei et al, 1999 Q2-D4-T2 50.0 111.70 combination of 2 Q2-DJ-Q2 70.0 117.40 RSM, estimated QN-DJ-QN 80.0 126.00 AA GLU (SCH JPC 79,2379) QN-T4-QN 140.0 119.70 combination of 2 R1-D4-R1 77.0 109.10 JDJ,13,(1992),963; A -QN-J3 50.0 109.50 INCORRECT HYDROGEN A -JN-J3 50.0 109.50 INCORRECT HYDROGEN A -D3-D2 50.0 119.10 WLD from A -D3-J3 A -D3-J1 50.0 119.10 WLD from A -D3-J3 A -D3-JA 50.0 119.10 WLD from A -D3-J3 A -D3-R1 50.0 119.10 WLD from A -D3-J3 A -D3-R2 50.0 119.10 WLD from A -D3-J3 A -D3-R3 50.0 119.10 WLD from A -D3-J3 A -D3-R4 50.0 119.10 WLD from A -D3-J3 A -D3-T2 50.0 119.10 WLD from A -D3-J3 A -D3-T4 50.0 119.10 WLD from A -D3-J3 A -D4-JA 50.0 109.50 WLD from A -D4-J3 A -D4-TA 50.0 109.50 WLD from A -D4-T2 A -D4-R4 50.0 105.00 WLD gross estimate A -DA-Q2 45.0 120.15 WLD from A -DA-JA A -DA-D4 50.0 120.00 WLD from A -D3-D4 A -DA-TA 35.0 122.60 WLD from A -DA-T2 A -D4-T4 30.0 115.43 WLD from A- J4-T4 A -DJ-A 50.0 119.10 WLD from A -D3-J3 A -DJ-JA 50.0 120.00 WLD gross estimate A -DJ-T2 50.0 120.00 WLD gross estimate A -JA-DA 50.0 121.20 WLD from A -J3-D3 A -JA-D3 50.0 121.20 WLD from A -J3-D3 A -J3-D2 46.2 111.00 WLD gross estimate A -J3-JA 45.0 120.49 WLD from A -J3-DA A -J3-J3 45.0 120.49 WLD from A -J3-DA A -J3-J4 50.0 118.22 WLD from A -J3-D4 A -J3-Q2 45.0 120.49 WLD from A -J3-DA A -J3-T2 45.0 120.49 WLD from A -J3-DA A -J3-T4 45.0 120.49 WLD from A -J3-DA A -J3-TA 45.0 120.49 WLD from A -J3-DA A -JA-DJ 47.9 120.70 WLD from A -J3-DJ A -JA-JA 47.9 120.70 WLD from A -J3-DJ A -JA-T4 47.9 120.70 WLD from A -J3-DJ A -J4-DJ 30.0 115.43 WLD from A -J4-T4 A -J4-J3 30.0 115.43 WLD from A -J4-T4 A -J4-QN 50.0 109.50 WLD from A -D4-J3 A -JN-DJ 30.0 115.43 WLD from A -J4-T4 A -JN-T4 30.0 115.43 WLD from A -J4-T4 A -Q2-D3 50.0 113.00 WLD from A -Q2-DA A -Q2-Q2 50.0 113.00 WLD from A -Q2-DA A -T2-DJ 62.0 98.90 WLD from D4-T2-D4 A -T2-T2 68.0 103.70 WLD from D4-T2-T2 A -T2-D3 62.0 98.90 WLD from D4-T2-D4 A -TA-DJ 62.0 98.90 WLD from DJ-T2-DJ A -Q2-JA 50.0 113.50 WLD from A -Q2-DJ A -Q2-T4 50.0 113.00 WLD from A -Q2-DJ A -Q2-J3 50.0 109.50 WLD from A -Q2-DJ A -DA-D3 46.2 120.76 WLD from A -DA-J3 A -T2-D2 43.0 96.00 WLD from A -T2-D4 D2-D2-D2 70.0 180.00 WLD from DJ-D2-D2 D2-D2-R1 70.0 180.00 WLD from DJ-D2-D2 D2-D2-R2 70.0 180.00 WLD from DJ-D2-D2 D2-D2-R3 70.0 180.00 WLD from DJ-D2-D2 D2-D2-R4 70.0 180.00 WLD from DJ-D2-D2 D2-D2-D3 70.0 180.00 WLD from DJ-D2-D2 D2-D2-DJ 70.0 180.00 WLD from DJ-D2-D2 D2-D2-Q2 70.0 180.00 WLD from DJ-D2-D2 D2-D3-D2 63.0 120.00 WLD from D3-D3-D3 D2-D3-D3 63.0 120.00 WLD from D3-D3-D3 D2-D3-D4 63.0 120.00 WLD from D3-D3-D3 D2-D3-J3 63.0 120.00 WLD from D3-D3-D3 D2-D3-JA 63.0 120.00 WLD from D3-D3-D3 D2-D4-DJ 40.0 111.00 WLD from D2-D4-DA D2-D4-D3 40.0 111.00 WLD from D2-D4-DA D2-D4-J3 40.0 111.00 WLD from D2-D4-DA D2-D4-JA 40.0 111.00 WLD from D2-D4-DA D2-D4-T2 80.0 111.20 WLD from DJ-J4-T4 D2-D4-TA 80.0 111.20 WLD from DJ-J4-T4 D2-D4-T4 80.0 111.20 WLD from DJ-J4-T4 D2-DJ-D3 70.0 126.55 WLD from D2-DA-DA D2-DJ-D4 70.0 126.55 WLD from D2-DA-DA D2-DJ-DA 70.0 126.55 WLD from D2-DA-DA D2-DJ-DJ 70.0 126.55 WLD from D2-DA-DA D2-DJ-JA 70.0 126.55 WLD from D2-DA-DA D2-DJ-J3 70.0 126.55 WLD from D2-DA-DA D2-DJ-Q1 80.0 125.30 WLD from D3-DJ-Q1 D2-DJ-Q2 80.0 125.30 WLD from D3-DJ-Q1 D2-DJ-QN 80.0 125.30 WLD from D3-DJ-Q1 D2-DJ-TA 70.0 120.00 WLD from DA-DA-T4 D2-J3-DJ 70.0 126.55 WLD from D2-DA-DA D2-J3-D3 70.0 126.55 WLD from D2-DA-DA D2-JA-D3 70.0 126.55 WLD from D2-DA-DA D2-JA-DJ 70.0 126.55 WLD from D2-DA-DA D2-T2-D4 62.0 96.00 WLD gross estimate D2-T2-DJ 80.0 90.10 WLD from DA-T2-DA D2-Q2-D4 57.5 118.22 WLD from D4-Q2-DJ D3-D2-D3 70.0 180.00 WLD from DJ-D2-D2 D3-D2-J1 70.0 180.00 WLD from DJ-D2-D2 D3-JA-J1 70.0 180.00 WLD from DJ-D2-D2 D3-J1-D2 70.0 180.00 WLD from DJ-D2-D2 D3-D3-R1 63.0 120.00 WLD from D3-D3-D3 D3-D3-R2 63.0 120.00 WLD from D3-D3-D3 D3-D3-R3 63.0 120.00 WLD from D3-D3-D3 D3-D3-R4 63.0 120.00 WLD from D3-D3-D3 D3-D3-T2 63.0 120.00 WLD from D3-D3-D3 D3-D3-TA 63.0 120.00 WLD from D3-D3-D3 D3-D3-T4 63.0 120.00 WLD from D3-D3-D3 D3-D3-J1 63.0 120.00 WLD from D3-D3-D3 D3-D3-JA 63.0 120.00 WLD from D3-D3-D3 D3-D3-T4 70.0 120.00 WLD from DA-DA-T4 D3-D4-D3 50.0 109.50 WLD from J3-D4-J3 D3-D4-DJ 63.0 105.85 WLD from DJ-D4-J3 D3-D4-J3 50.0 109.50 WLD from J3-D4-J3 D3-D4-JA 50.0 109.50 WLD from J3-D4-J3 D3-D4-J4 50.0 109.50 WLD from J3-D4-J3 D3-D4-R1 50.0 114.00 WLD from D4-D4-DA D3-D4-R2 50.0 114.00 WLD from D4-D4-DA D3-D4-R3 50.0 114.00 WLD from D4-D4-DA D3-D4-R4 50.0 114.00 WLD from D4-D4-DA D3-D4-T2 80.0 111.20 WLD from DJ-J4-T4 D3-D4-TA 80.0 111.20 WLD from DJ-J4-T4 D3-D4-T4 80.0 111.20 WLD from DJ-J4-T4 D3-DJ-DJ 63.0 120.70 WLD from D3-D3-DJ D3-DJ-Q2 63.0 120.00 WLD gross estimate D3-DJ-T2 80.0 125.30 WLD from D3-DJ-Q1 D3-J3-J3 70.0 120.00 WLD gross estimate D3-J3-Q2 70.0 120.00 WLD gross estimate D3-JA-Q2 70.0 117.80 WLD from DA-JA-DA D3-JA-JA 70.0 117.80 WLD from DA-JA-DA D3-JA-J3 70.0 117.80 WLD from DA-JA-DA D3-JA-D3 70.0 117.80 WLD from DA-JA-DA D3-JA-D4 70.0 117.80 WLD from DA-JA-DA D3-JA-DJ 70.0 117.80 WLD from DA-JA-DA D3-DA-DJ 68.8 118.12 WLD from DA-DA-J3 D3-DA-Q2 70.0 113.91 WLD from DA-DA-Q2 D3-DJ-D4 70.0 119.70 WLD from D4-D3-DJ D3-DJ-D3 70.0 114.10 WLD from D3-DJ-J3 D3-DJ-JA 70.0 114.10 WLD from D3-DJ-J3 D3-DJ-JN 70.0 114.10 WLD from D3-DJ-J3 D3-DJ-QN 70.0 120.00 WLD from DA-DJ-Q2 D3-DJ-T1 70.0 121.00 WLD gross estimate D3-DJ-TA 70.0 120.00 WLD from DA-DA-T4 D3-J3-D3 70.0 121.60 WLD from D3-J3-DJ D3-J3-QN 70.0 121.60 WLD from D3-J3-DJ D3-JA-T4 70.0 120.00 WLD from DA-DA-TA D3-Q2-DJ 57.5 118.22 WLD from D4-Q2-DJ D3-Q2-JA 57.5 118.22 WLD from D4-Q2-DJ D3-T2-D3 80.0 90.10 WLD from DA-T2-DA D3-T2-DJ 80.0 90.10 WLD from DA-T2-DA D3-T2-T2 68.0 103.70 WLD from D4-T2-T2 D3-T2-TA 68.0 103.70 WLD from D4-T2-T2 D3-T2-T4 68.0 103.70 WLD from D4-T2-T2 D3-T4-D4 62.0 107.10 WLD from DJ-T4-J4 D3-T4-J4 62.0 107.10 WLD from DJ-T4-J4 D3-T4-JA 62.0 107.10 WLD from DJ-T4-J4 D3-T4-Q1 100.0 107.80 WLD from DA-T4-Q1 D3-T4-QN 100.0 107.80 WLD from DA-T4-QN D3-TA-D3 62.0 98.90 WLD from D4-T2-D4 D3-TA-D4 62.0 98.90 WLD from D4-T2-D4 D3-TA-DJ 62.0 98.90 WLD from D4-T2-D4 D3-TA-TA 68.0 103.70 WLD from D4-T2-T2 D4-D3-D4 63.0 117.00 WLD from D4-DJ-D4 D4-D3-Q2 80.0 125.00 WLD from D3-D3-Q2 D4-D3-R1 80.0 125.00 WLD from D3-D3-Q2 D4-D3-R2 80.0 125.00 WLD from D3-D3-Q2 D4-D3-R3 80.0 125.00 WLD from D3-D3-Q2 D4-D3-R4 80.0 125.00 WLD from D3-D3-Q2 D4-D3-JA 70.0 119.70 WLD from D4-D3-DJ D4-D3-DA 70.0 119.70 WLD from D4-D3-DJ D4-D3-J3 70.0 119.70 WLD from D4-D3-DJ D4-D3-T2 70.0 119.70 WLD from D4-D3-DJ D4-D3-TA 70.0 119.70 WLD from D4-D3-DJ D4-D3-T4 70.0 119.70 WLD from D4-D3-DJ D4-D4-JA 72.5 110.02 WLD from D4-D4-J3 D4-D4-T4 50.0 121.20 WLD from D4-J4-T4 D4-D4-TA 50.0 121.20 WLD from D4-J4-T4 D4-DA-QA 70.0 117.50 WLD from DA-DA-JA D4-DA-D4 70.0 117.50 WLD from DA-DA-JA D4-DJ-DJ 70.0 122.50 WLD from D4-DA-DA D4-DJ-JN 63.0 117.00 WLD from D4-DJ-D4 D4-DJ-T2 80.0 125.30 WLD from D3-DJ-Q1 D4-DJ-R1 70.0 120.00 WLD from D4-DJ-DA D4-DJ-R2 70.0 120.00 WLD from D4-DJ-DA D4-DJ-R3 70.0 120.00 WLD from D4-DJ-DA D4-DJ-R4 70.0 120.00 WLD from D4-DJ-DA D4-DJ-T1 70.0 121.00 WLD gross estimate D4-DJ-TA 63.0 117.00 WLD from D4-DJ-D4 D4-J3-JA 65.0 123.97 WLD from D4-J3-DA D4-J3-JA 65.0 123.97 WLD from D4-J3-DA D4-J3-J3 70.0 120.00 WLD gross estimate D4-J3-QN 66.0 121.06 WLD from D4-J3-DJ D4-J3-Q2 66.0 121.06 WLD from D4-J3-DJ D4-J3-T2 65.0 120.00 WLD gross estimate D4-J3-T4 65.0 120.00 WLD gross estimate D4-J3-TA 65.0 120.00 WLD gross estimate D4-J4-QN 80.0 111.20 WLD from DJ-D4-J4 D4-J4-J3 80.0 111.20 WLD from DJ-D4-J4 D4-J4-DJ 80.0 111.20 WLD from DJ-D4-J4 D4-JA-DJ 70.0 120.00 WLD gross estimate D4-JA-J3 70.0 120.00 WLD gross estimate D4-JA-DA 70.0 120.00 WLD gross estimate D4-JA-D4 70.0 120.00 WLD gross estimate D4-JA-JA 70.0 120.00 WLD gross estimate D4-JA-T4 70.0 120.00 WLD gross estimate D4-Q2-DA 57.5 118.22 WLD from D4-Q2-DJ D4-Q2-JA 57.5 118.22 WLD from D4-Q2-DJ D4-Q2-J3 57.5 118.22 WLD from D4-Q2-DJ D4-Q2-Q2 57.5 118.22 WLD from D4-Q2-DJ D4-Q2-T4 60.0 109.50 WLD from D4-Q2-D4 D4-T2-DJ 62.0 98.00 WLD gross estimate D4-T2-D3 62.0 98.00 WLD gross estimate D4-T2-J3 62.0 98.00 WLD gross estimate D4-T2-JA 62.0 98.00 WLD gross estimate D4-T2-T4 68.0 103.70 WLD from D4-T2-T2 D4-T4-T2 68.0 103.70 WLD from D4-T2-T2 D4-T4-TA 68.0 103.70 WLD from D4-T2-T2 D4-T4-DJ 62.0 107.10 WLD from DJ-T4-J4 D4-T4-D4 62.0 103.00 WLD gross estimate D4-T4-DA 62.0 103.00 WLD gross estimate D4-T4-J4 60.0 106.80 WLD gross estimate D4-T4-Q1 100.0 107.10 WLD from J4-T4-Q1 D4-T4-Q2 60.0 107.10 WLD gross estimate D4-T4-QN 60.0 107.10 WLD gross estimate D4-TA-DJ 62.0 98.90 WLD from D4-T2-D4 D4-TA-DA 62.0 98.90 WLD from D4-T2-D4 D4-TA-T4 68.0 103.70 WLD from D4-T2-T2 D4-TA-T2 68.0 103.70 WLD from D4-T2-T2 DA-D3-J3 63.0 117.00 WLD from D3-D3-DA DA-D3-DA 63.0 117.00 WLD from D3-D3-DA DA-D3-DJ 63.0 117.00 WLD from D3-D3-DA DA-D3-JA 63.0 117.00 WLD from D3-D3-DA DA-D4-D3 63.0 105.85 WLD from DJ-D4-J3 DA-D4-DJ 63.0 105.85 WLD from DJ-D4-J3 DA-D4-T4 80.0 111.20 WLD from DJ-J4-T4 DA-D4-TA 80.0 111.20 WLD from DJ-J4-T4 DA-D4-JA 63.0 105.85 WLD from DJ-D4-J3 DA-DA-D3 68.8 118.12 WLD from DA-DA-J3 DA-DA-QA 70.0 117.50 WLD from DA-DA-JA DA-DJ-QA 70.0 117.50 WLD from DA-DA-JA DA-DJ-D3 63.0 120.70 WLD from D3-D3-DJ DA-DJ-JN 63.0 120.70 WLD from D3-D3-DJ DA-DJ-J4 70.0 120.00 WLD from DA-DA-J4 DA-DJ-R1 70.0 121.00 WLD from DA-DA-R1 DA-DJ-R2 70.0 119.40 WLD from DA-DA-R2 DA-DJ-R3 70.0 118.80 WLD from DA-DA-R3 DA-DJ-R4 70.0 118.80 WLD from DA-DA-R4 DA-DJ-T2 70.0 109.20 WLD from DA-DA-TA DA-DJ-T4 70.0 120.00 WLD from DA-DA-T4 DA-DJ-TA 70.0 109.20 WLD from DA-DA-TA DA-JA-JA 70.0 117.80 WLD from DA-JA-DA DA-JA-J3 70.0 117.80 WLD from DA-JA-DA DA-JA-Q2 70.0 117.80 WLD from DA-JA-DA DA-J3-JA 70.0 117.80 WLD from DA-JA-DA DA-J3-J3 70.0 117.80 WLD from DA-JA-DA DA-J3-D3 70.0 117.80 WLD from DA-JA-DA DA-J3-Q2 70.0 117.80 WLD from DA-JA-DA DA-J3-QN 70.0 117.80 WLD from DA-JA-DA DA-J3-R2 70.0 117.80 WLD from DA-JA-DA DA-J3-T2 70.0 120.00 WLD from DA-DA-TA DA-J3-T4 70.0 120.00 WLD from DA-DA-TA DA-J3-TA 70.0 120.00 WLD from DA-DA-TA DA-DJ-T1 70.0 121.00 WLD gross estimate DA-JA-T2 70.0 120.00 WLD from DA-DA-TA DA-JA-T4 70.0 120.00 WLD from DA-DA-TA DA-JA-TA 70.0 120.00 WLD from DA-DA-TA DA-Q2-J3 57.5 118.22 WLD from D4-Q2-DJ DA-Q2-JA 57.5 118.22 WLD from D4-Q2-DJ DA-QA-DA 70.0 114.24 WLD from DA-JA-DA DA-QA-DJ 70.0 114.24 WLD from DA-JA-DA DA-Q2-T4 57.5 113.00 WLD gross estimate DA-T4-DA 62.0 107.10 WLD from DJ-T4-J4 DA-T4-JA 62.0 107.10 WLD from DJ-T4-J4 DA-T4-JN 62.0 107.10 WLD from DJ-T4-J4 DA-T4-Q2 100.0 107.80 WLD from DA-T4-QN DA-TA-JA 62.0 107.00 WLD gross estimate DA-TA-J3 62.0 107.00 WLD gross estimate DA-TA-TA 68.0 103.70 WLD from D4-T2-T2 DA-TA-T2 68.0 103.70 WLD from D4-T2-T2 DA-TA-T4 68.0 103.70 WLD from D4-T2-T2 DJ-D2-J1 70.0 180.00 WLD from DJ-D2-D2 DJ-D3-D2 63.0 119.20 WLD from DJ-DJ-DJ DJ-D3-DJ 63.0 119.20 WLD from DJ-DJ-DJ DJ-D3-JA 70.0 117.50 WLD from DA-DA-JA DJ-D3-Q2 63.0 120.00 WLD from D3-D3-D3 DJ-D3-R1 63.0 120.00 WLD from D3-D3-D3 DJ-D3-R2 63.0 120.00 WLD from D3-D3-D3 DJ-D3-R3 63.0 120.00 WLD from D3-D3-D3 DJ-D3-R4 63.0 120.00 WLD from D3-D3-D3 DJ-D3-TA 70.0 120.00 WLD from DA-DA-T4 DJ-D3-T2 63.0 120.00 WLD from D3-D3-D3 DJ-D4-DJ 40.0 109.50 WLD from D4-D4-D4 DJ-D4-JA 63.0 105.85 WLD from DJ-D4-J3 DJ-D4-R1 50.0 114.00 WLD from D4-D4-DA DJ-D4-R2 50.0 114.00 WLD from D4-D4-DA DJ-D4-R3 50.0 114.00 WLD from D4-D4-DA DJ-D4-R4 50.0 114.00 WLD from D4-D4-DA DJ-D4-T2 80.0 111.20 WLD from DJ-J4-T4 DJ-D4-TA 63.0 111.00 WLD gross estimate DJ-D4-T4 80.0 111.20 WLD from DJ-J4-T4 DJ-D3-J3 70.0 117.50 WLD from DA-DA-JA DJ-DA-Q2 70.0 113.91 WLD from DA-DA-Q2 DJ-DA-QA 70.0 117.50 WLD from DA-DA-JA DJ-DA-T4 70.0 120.00 WLD from DA-DA-T4 DJ-DA-TA 70.0 120.00 WLD from DA-DA-TA DJ-DJ-JN 70.0 120.00 WLD from D4-DJ-JA DJ-DJ-J4 70.0 120.00 WLD from D4-DJ-JA DJ-DJ-T1 63.0 120.00 WLD from D3-D3-D3 DJ-DJ-T2 70.0 120.00 WLD from DA-DA-T4 DJ-DJ-T4 70.0 120.00 WLD from DA-DA-T4 DJ-DJ-TA 63.0 116.25 WLD from DA-DJ-DJ DJ-DJ-QN 70.0 120.00 WLD from DA-DJ-Q2 DJ-DJ-QA 70.0 120.00 WLD from DA-DJ-Q2 DJ-DJ-R1 70.0 121.00 WLD from DA-DA-R1 DJ-DJ-R2 70.0 119.40 WLD from DA-DA-R2 DJ-DJ-R3 70.0 118.80 WLD from DA-DA-R3 DJ-DJ-R4 70.0 118.80 WLD from DA-DA-R4 DJ-J3-J4 70.0 121.20 WLD from D3-J3-D4 DJ-J3-JN 70.0 121.20 WLD from D3-J3-D4 DJ-J3-Q2 70.0 117.80 WLD from DA-JA-DA DJ-J3-R1 70.0 117.80 WLD from DA-JA-DA DJ-J3-R2 70.0 117.80 WLD from DA-JA-DA DJ-J3-R3 70.0 117.80 WLD from DA-JA-DA DJ-J3-R4 70.0 117.80 WLD from DA-JA-DA DJ-J3-T4 70.0 121.20 WLD from D3-J3-D4 DJ-J4-T4 80.0 111.20 WLD from DJ-D4-J4 DJ-JA-DJ 70.0 123.20 WLD from DJ-J3-DJ DJ-JA-J1 70.0 180.00 WLD from DJ-D2-D2 DJ-JA-J3 70.0 117.80 WLD from DA-JA-DA DJ-JA-JA 70.0 117.80 WLD from DA-JA-DA DJ-JA-Q2 70.0 117.80 WLD from DA-JA-DA DJ-JA-Q1 70.0 117.80 WLD from DA-JA-DA DJ-JA-TA 70.0 110.20 WLD from DJ-DA-T2 DJ-JA-T4 70.0 120.00 WLD from DA-DA-TA DJ-J3-J3 70.0 117.80 WLD from DA-JA-DA DJ-J3-JA 70.0 120.00 WLD from DA-J3-DA DJ-J3-QN 70.0 120.00 WLD from DA-DJ-Q2 DJ-J3-T2 65.0 120.00 WLD gross estimate DJ-J3-TA 65.0 120.00 WLD gross estimate DJ-J4-QN 80.0 111.20 WLD from DJ-D4-J4 DJ-JN-DJ 70.0 123.20 WLD from DJ-J3-DJ DJ-JN-J3 70.0 123.20 WLD from DJ-J3-DJ DJ-JN-T4 80.0 111.20 WLD from DJ-D4-J4 DJ-Q1-DJ 70.0 123.20 WLD from DJ-J3-DJ DJ-Q2-JA 70.0 117.80 WLD from DA-JA-DA DJ-Q2-J3 70.0 117.80 WLD from DA-JA-DA DJ-Q2-T4 57.5 118.22 WLD from D4-Q2-DJ DJ-Q2-Q2 57.5 118.22 WLD from D4-Q2-DJ DJ-R4-DJ 50.0 120.00 WLD gross estimate DJ-T2-DJ 80.0 90.10 WLD from DA-T2-DA DJ-T2-J3 80.0 90.10 WLD from DA-T2-DA DJ-T2-R2 62.0 96.00 WLD gross estimate DJ-T2-T2 68.0 103.70 WLD from D4-T2-T2 DJ-T2-TA 68.0 103.70 WLD from D4-T2-T2 DJ-T4-T2 68.0 103.70 WLD from D4-T2-T2 DJ-T4-DJ 62.0 98.90 WLD from D4-T2-D4 DJ-T4-J3 62.0 107.10 WLD from DA-T4-J4 DJ-T4-J4 62.0 107.10 WLD from DA-T4-J4 DJ-T4-JA 62.0 107.10 WLD from DA-T4-J4 DJ-T4-JN 62.0 107.10 WLD from DA-T4-J4 DJ-T4-Q1 100.0 107.80 WLD from DA-T4-Q1 DJ-T4-QN 60.0 107.80 WLD gross estimate DJ-T4-Q2 60.0 107.80 WLD gross estimates DJ-TA-TA 68.0 103.70 WLD from D4-T2-T2 DJ-TA-DJ 62.0 98.90 WLD from D4-T2-D4 DJ-TA-DA 62.0 98.90 WLD from D4-T2-D4 DJ-TA-J3 62.0 98.90 WLD from D4-T2-D4 J1-D2-J3 70.0 180.00 WLD from DJ-D2-D2 J1-D2-JA 70.0 180.00 WLD from DJ-D2-D2 J1-D2-T2 70.0 180.00 WLD from DJ-D2-D2 J3-D3-J3 63.0 117.00 WLD from D3-D3-DA J3-D3-JA 70.0 113.13 WLD from J3-DJ-J3 J3-D3-JN 70.0 113.13 WLD from J3-DJ-J3 J3-D3-T2 70.0 123.20 WLD from J3-DA-T2 J3-D3-TA 63.0 120.00 WLD from D3-D3-D3 J3-D3-Q2 63.0 120.00 WLD from D3-D3-D3 J3-DA-TA 70.0 122.40 WLD from J3-DJ-JA J3-DA-T4 70.0 122.40 WLD from J3-DJ-JA J3-DJ-TA 70.0 122.40 WLD from J3-DJ-JA J3-DJ-T2 70.0 122.40 WLD from J3-DJ-JA J3-DJ-R1 70.0 122.40 WLD from J3-DJ-JA J3-DJ-R2 70.0 122.40 WLD from J3-DJ-JA J3-DJ-R3 70.0 122.40 WLD from J3-DJ-JA J3-DJ-R4 70.0 122.40 WLD from J3-DJ-JA J3-DJ-Q2 70.0 122.50 WLD from DA-DJ-Q2 J3-DJ-QN 70.0 122.50 WLD from DA-DJ-Q2 J3-DJ-T1 70.0 121.00 WLD gross estimate J3-DJ-T2 70.0 123.20 WLD from J3-DA-T2 J3-DJ-JN 70.0 113.13 WLD from J3-DJ-J3 J3-D4-J4 50.0 109.50 WLD gross estimate J3-D4-JA 50.0 109.50 WLD gross estimate J3-D4-T4 80.0 111.20 WLD from DJ-J4-T4 J3-D4-TA 80.0 111.20 WLD from DJ-J4-T4 J3-T4-Q2 60.0 107.80 WLD gross estimates J3-D4-R1 50.0 114.00 WLD from D4-D4-DA J3-D4-R2 50.0 114.00 WLD from D4-D4-DA J3-D4-R3 50.0 114.00 WLD from D4-D4-DA J3-D4-R4 50.0 114.00 WLD from D4-D4-DA J3-DJ-T4 63.0 116.25 WLD from DA-DJ-DJ J3-J3-QN 70.0 117.80 WLD from DA-JA-DA J3-J3-JA 70.0 120.00 WLD gross estimate J3-J4-T4 50.0 109.30 WLD from DA-D4-T2 J3-JA-JA 70.0 117.80 WLD from DA-JA-DA J3-JA-Q1 70.0 117.80 WLD from DA-JA-DA J3-JA-Q2 70.0 117.80 WLD from DA-JA-DA J3-JA-QN 70.0 117.80 WLD from DA-JA-DA J3-Q2-T4 57.5 118.22 WLD from D4-Q2-DJ J3-Q2-JA 57.5 118.22 WLD from D4-Q2-DJ J3-Q2-Q2 57.5 118.22 WLD from D4-Q2-DJ J3-T4-D4 70.0 109.50 WLD gross estimate J3-T4-DA 70.0 109.50 WLD gross estimate J3-T4-Q1 100.0 107.10 WLD from J4-T4-Q1 J4-D4-Q2 50.0 109.50 WLD from D4-D4-Q2 J4-DJ-JA 70.0 120.00 WLD gross estimate J4-DJ-Q2 70.0 120.00 WLD gross estimate J4-DJ-TA 63.0 116.25 WLD from DA-DJ-DJ J4-D4-T2 50.0 111.65 WLD from D4-D4-T2 J4-T4-Q2 60.0 107.10 WLD gross estimate J4-T4-JA 60.0 107.10 WLD gross estimate JA-D3-JA 70.0 113.13 WLD from J3-DJ-J3 JA-D3-Q2 80.0 125.00 WLD from D3-D3-Q2 JA-D3-T2 70.0 123.20 WLD from J3-DA-T2 JA-D3-TA 70.0 123.20 WLD from J3-DA-T2 JA-D3-R1 70.0 122.40 WLD from J3-DJ-JA JA-D3-R2 70.0 122.40 WLD from J3-DJ-JA JA-D3-R3 70.0 122.40 WLD from J3-DJ-JA JA-D3-R4 70.0 122.40 WLD from J3-DJ-JA JA-D4-TA 50.0 109.50 WLD gross estimate JA-D4-JA 50.0 109.50 WLD gross estimate JA-D4-Q2 50.0 109.50 WLD gross estimate JA-DA-T4 70.0 120.00 WLD from DA-DA-T4 JA-DJ-JA 70.0 113.13 WLD from J3-DJ-J3 JA-DJ-JN 70.0 113.13 WLD from J3-DJ-J3 JA-DJ-Q2 70.0 113.13 WLD from J3-DJ-J3 JA-DJ-QN 70.0 113.13 WLD from J3-DJ-J3 JA-DJ-R2 70.0 119.40 WLD from DA-DA-R2 JA-DJ-T1 70.0 180.00 WLD from DJ-D2-D2 JA-DJ-T2 63.0 116.25 WLD from DA-DJ-DJ JA-DJ-TA 63.0 116.25 WLD from DA-DJ-DJ JA-DJ-T4 63.0 116.25 WLD from DA-DJ-DJ JA-DJ-R1 70.0 121.00 WLD from DA-DA-R1 JA-DJ-R2 70.0 119.40 WLD from DA-DA-R2 JA-DJ-R3 70.0 118.80 WLD from DA-DA-R3 JA-DJ-R4 70.0 118.80 WLD from DA-DA-R4 JA-J3-D3 63.3 122.80 WLD form DA-J3-DA JA-J3-JA 63.3 122.80 WLD form DA-J3-DA JA-J3-Q2 63.3 122.80 WLD form DA-J3-DA JA-J3-QN 63.3 122.80 WLD form DA-J3-DA JA-J3-R2 63.3 122.80 WLD form DA-J3-DA JA-J3-T2 70.0 120.00 WLD from DA-DA-T4 JA-J3-T4 70.0 120.00 WLD from DA-DA-T4 JA-JA-JA 70.0 117.80 WLD from DA-JA-DA JA-JA-T2 70.0 120.00 WLD from DA-DA-T4 JA-JA-T4 70.0 120.00 WLD from DA-DA-T4 JA-JA-TA 70.0 120.00 WLD from DA-DA-T4 JA-Q2-JA 57.5 118.22 WLD from D4-Q2-DJ JA-Q2-T4 57.5 118.22 WLD from D4-Q2-DJ JA-T2-DJ 80.0 90.10 WLD from DA-T2-DA JA-T2-JA 62.0 98.90 WLD from D4-T2-D4 JA-T4-JA 62.0 98.90 WLD from D4-T2-D4 JA-T4-Q1 100.0 107.10 WLD from J4-T4-Q1 JA-T4-D4 100.0 107.10 WLD from J4-T4-Q1 JA-TA-JA 62.0 98.90 WLD from D4-T2-D4 JA-TA-DJ 62.0 98.90 WLD from D4-T2-D4 JN-DJ-Q1 77.5 123.10 WLD from J3-DJ-Q1 JN-DJ-Q2 63.0 120.00 WLD gross estimate JN-T4-DA 70.0 109.50 WLD gross estimate JN-T4-Q1 100.0 107.10 WLD from J4-T4-Q1 JN-T4-Q2 70.0 109.50 WLD gross estimate R1-D3-R1 63.0 120.00 WLD from D3-D3-D3 R1-D4-R2 70.0 109.50 WLD gross estimate R1-D4-R3 70.0 109.50 WLD gross estimate R1-D4-R4 70.0 109.50 WLD gross estimate R1-D4-T2 70.0 109.50 WLD gross estimate R1-D4-T4 70.0 109.50 WLD gross estimate R1-DJ-TA 70.0 120.30 WLD from D4-DA-TA R2-DJ-Q1 80.0 125.30 WLD from D3-DJ-Q1 R2-DJ-TA 70.0 120.30 WLD from D4-DA-TA R2-D3-R2 63.0 120.00 WLD from D3-D3-D3 R2-D4-R2 70.0 109.50 WLD gross estimate R2-D4-R3 70.0 109.50 WLD gross estimate R2-D4-R4 70.0 109.50 WLD gross estimate R2-D4-T2 70.0 109.50 WLD gross estimate R2-J4-T4 80.0 111.20 WLD from DJ-D4-J4 R2-J4-R2 80.0 111.20 WLD from DJ-D4-J4 R3-D4-R3 70.0 109.50 WLD gross estimate R3-D4-R4 70.0 109.50 WLD gross estimate R3-DJ-TA 70.0 120.30 WLD from D4-DA-TA R3-D3-R3 63.0 120.00 WLD from D3-D3-D3 R3-D4-T2 70.0 109.50 WLD gross estimate R4-DJ-TA 70.0 120.30 WLD from D4-DA-TA R4-D4-R4 70.0 109.50 WLD gross estimate R4-D4-T2 70.0 109.50 WLD gross estimate R4-D4-T4 70.0 109.50 WLD gross estimate Q1-DJ-TA 63.0 116.25 WLD from DA-DJ-DJ Q1-DJ-T2 80.0 125.30 WLD from D3-DJ-Q1 Q1-JA-T2 80.0 125.30 WLD from D3-DJ-Q1 Q1-T4-Q2 70.0 109.50 WLD gross estimate Q1-T4-QN 70.0 109.50 WLD gross estimate Q1-T4-T2 68.0 103.70 WLD from D4-T2-T2 Q1-T4-TA 68.0 103.70 WLD from D4-T2-T2 Q2-D4-R1 70.0 109.50 WLD gross estimate Q2-D4-R2 70.0 109.50 WLD gross estimate Q2-D4-R3 70.0 109.50 WLD gross estimate Q2-D4-R4 70.0 109.50 WLD gross estimate Q2-D4-T4 70.0 109.50 WLD gross estimate Q2-DJ-QN 75.0 120.00 WLD from DA-DJ-Q1 Q2-DJ-R1 75.0 120.00 WLD from DA-DJ-Q1 Q2-DJ-R2 75.0 120.00 WLD from DA-DJ-Q1 Q2-DJ-R3 75.0 120.00 WLD from DA-DJ-Q1 Q2-DJ-R4 75.0 120.00 WLD from DA-DJ-Q1 Q2-DJ-T1 75.0 120.00 WLD from DA-DJ-Q1 Q2-DJ-T2 75.0 120.00 WLD from DA-DJ-Q1 Q2-DJ-TA 75.0 120.00 WLD from DA-DJ-Q1 Q2-J3-QN 80.0 126.00 WLD from QN-DJ-QN Q2-J3-Q2 80.0 126.00 WLD from QN-DJ-QN Q2-JA-QN 80.0 126.00 WLD from QN-DJ-QN Q2-JA-T4 80.0 126.00 WLD from QN-DJ-QN Q2-T4-QN 70.0 109.50 WLD gross estimate Q2-T4-Q2 70.0 109.50 WLD gross estimate Q2-T4-T2 68.0 103.70 WLD from D4-T2-T2 QN-J3-QN 80.0 126.00 WLD from QN-DJ-QN QN-T4-T2 68.0 103.70 WLD from D4-T2-T2 T1-D3-T2 70.0 121.00 WLD gross estimate T1-DJ-TA 70.0 121.00 WLD gross estimate T1-DJ-T1 70.0 121.00 WLD gross estimate T1-DJ-T2 70.0 121.00 WLD gross estimate T2-D3-T2 70.0 118.00 WLD gross estimate T2-D3-TA 70.0 118.00 WLD gross estimate T2-D4-T2 80.0 111.20 WLD from DJ-J4-T4 T2-D4-T4 80.0 111.20 WLD from DJ-J4-T4 T2-D4-TA 80.0 111.20 WLD from DJ-J4-T4 T2-DA-TA 70.0 120.00 WLD from DA-DA-TA T2-DA-T4 70.0 120.00 WLD from DA-DA-TA T2-DJ-T2 70.0 118.00 WLD gross estimate T2-DJ-TA 70.0 118.00 WLD gross estimate T2-DJ-T4 63.0 117.00 WLD from D4-DJ-D4 T2-JA-T4 70.0 120.00 WLD from DA-DA-T4 T2-T4-T2 68.0 103.70 WLD from D4-T2-T2 T4-D4-T4 50.0 121.20 WLD from D4-J4-T4 T4-DA-TA 70.0 120.00 WLD from DA-DA-TA T4-DJ-TA 63.0 117.00 WLD from D4-DJ-D4 T4-J4-T4 50.0 121.20 WLD from D4-J4-T4 T4-Q2-T4 60.0 109.50 WLD from D4-Q2-D4 TA-D3-TA 70.0 118.00 WLD gross estimate TA-DA-TA 70.0 120.00 WLD from DA-DA-TA TA-D4-TA 70.0 109.00 WLD gross estimate TA-DJ-TA 70.0 120.00 WLD from DA-DA-TA X -D2-DJ-X 2 0.00 0.0 2. WLD null X -D2-D3-X 2 0.00 0.0 2. WLD null X -D2-J3-X 2 0.00 0.0 2. WLD null X -D2-JA-X 2 0.00 0.0 2. WLD null X -D2-T2-X 2 0.00 0.0 2. WLD null X -D2-Q2-X 2 0.00 0.0 2. WLD null X -D3-JA-X 4 8.70 180.0 2. WLD from X -DJ-D3-X X -D3-J1-X 1 0.0 0.0 2. WLD null X -D3-T2-X 6 0.00 0.0 2. WLD from X -DA-T4-X X -D3-T4-X 6 0.00 0.0 2. WLD from X -DA-T4-X X -D3-TA-X 6 0.00 0.0 2. WLD from X -DA-T4-X X -D4-TA-X 6 6.00 180.0 2. WLD from X -DA-TA-X X -D4-T4-X 6 2.40 0.0 3. WLD from X -J4-T4-X X -D4-JA-X 6 0.00 0.0 2. WLD from X -DA-T4-X X -DA-QA-X 2 11.60 180.0 2. WLD from X -DA-JA-X X -DJ-QA-X 2 11.60 180.0 2. WLD from X -DA-JA-X X -DJ-JN-X 4 7.01 180.0 2. WLD from X -DJ-J3-X X -DJ-T4-X 6 0.00 0.0 2. WLD from X -DA-T4-X X -DJ-T2-X 6 0.00 0.0 2. WLD from X -DA-T4-X X -DJ-J4-X 6 0.00 0.0 2. WLD from X -DJ-D4-X X -DJ-TA-X 2 6.00 180.0 2. WLD from X -DA-TA-X X -DJ-R4-X 6 0.00 0.0 2. WLD from X -DJ-D4-X X -J3-J3-X 2 11.60 180.0 2. WLD from X -DA-JA-X X -J3-J3-X 2 11.60 180.0 2. WLD from X -DA-JA-X X -J3-JA-X 2 11.60 180.0 2. WLD from X -DA-JA-X X -J3-JN-X 2 11.60 180.0 2. WLD from X -DA-JA-X X -J3-J4-X 2 0.00 0.0 2. WLD null X -J3-QN-X 4 11.20 180.0 2. WLD from X -DJ-Q1-X X -J3-Q2-X 3 0.82 0.0 3. WLD from X -D4-D2-X X -J3-T2-X 6 0.00 0.0 2. WLD from X -DA-T4-X X -J3-T4-X 6 0.00 0.0 2. WLD from X -DA-T4-X X -J3-TA-X 6 0.00 0.0 2. WLD from X -DA-T4-X X -JA-T2-X 6 0.00 0.0 2. WLD from X -DA-T4-X X -JA-TA-X 2 6.00 180.0 2. WLD from X -DA-TA-X X -JA-JA-X 2 11.60 180.0 2. WLD from X -DA-JA-X X -JA-Q2-X 2 4.20 180.0 2. WLD from X -DA-Q2-X X -JA-T4-X 2 6.00 180.0 2. WLD from X -DA-TA-X X -JN-T4-X 4 2.40 0.0 3. WLD from X -J4-T4-X X -Q2-T4-X 4 2.40 0.0 3. WLD from X -J4-T4-X X -Q2-Q2-X 9 1.40 0.0 3. WLD from X -D4-D4-X X -T2-T2-X 1 3.50 0.0 -2. WLD from D4-T2-T2-D4 X -T2-T2-X 1 0.60 0.0 3. WLD from D4-T2-T2-D4 X -T2-T4-X 1 0.0 0.0 2. WLD null X -TA-TA-X 1 0.0 0.0 2. WLD null X -TA-T4-X 1 0.0 0.0 2. WLD null X -J4-T4-X 6 2.40 0.0 3. combination of 2 X -DJ-Q2-X 2 4.54 180.0 2. combination of 5 X -DJ-Q1-X 4 11.20 180.0 2. Junmei et al, 1999 X -DJ-JA-X 2 6.55 180.0 2. combination of 4 X -DJ-J3-X 4 7.01 180.0 2. combination of 7 X -DJ-DJ-X 4 12.55 180.0 2. combination of 6 X -DJ-DA-X 4 18.87 180.0 2. combination of 3 X -DJ-D4-X 6 0.00 0.0 2. combination of 2 X -DJ-D3-X 4 8.70 180.0 2. intrpol.bsd.on C6H6 X -DA-TA-X 2 6.00 180.0 2. combination of 2 X -DA-T4-X 6 0.00 0.0 2. combination of 2 X -DA-T2-X 2 10.00 0.0 2. combination of 2 X -DA-Q2-X 2 4.20 180.0 2. combination of 3 X -DA-JA-X 2 10.00 180.0 2. combination of 7 X -DA-J3-X 4 6.27 180.0 2. combination of 7 X -DA-DJ-X 4 11.73 180.0 2. combination of 3 X -DA-DA-X 4 17.58 180.0 2. combination of 5 X -DA-D4-X 6 0.00 0.0 2. combination of 4 X -DA-D3-X 4 10.20 180.0 2. intrpol.bsd.on C6H6 X -D4-ZC-X 3 0.00 0.0 1. Junmei et al, 1999 X -D4-T2-X 3 0.88 0.0 3. combination of 2 X -D4-Q2-X 3 0.82 0.0 3. combination of 2 X -D4-P -X 9 0.75 0.0 3. RSM, estimated15 X -D4-J4-X 9 1.40 0.0 3. JDJ,7,(1986),230 X -D4-J3-X 6 0.00 0.0 2. JDJ,7,(1986),230 X -D4-DA-X 6 0.00 0.0 3. RSM, estimated7 X -D4-DA-X 6 0.00 0.0 2. RSM, estimated18 X -D4-D4-X 9 1.40 0.0 3. JDJ,7,(1986),230 X -D4-D2-X 3 0.00 0.0 3. RSM, estimated8 X -D4-D2-X 3 0.00 0.0 1. Junmei et al, 1999 X -D3-Q2-X 2 2.10 180.0 2. Junmei et al, 1999 X -D3-J3-X 4 7.40 180.0 2. JDJ,7,(1986),230 X -D3-D4-X 6 0.00 0.0 2. Junmei et al, 1999 X -D3-D4-X 6 0.00 0.0 3. JDJ,7,(1986),230 X -D3-D3-X 4 19.07 180.0 2. combination of 3 X -D2-D2-X 1 0.00 0.0 2. RSM, estimated14 R3-D4-D4-R3 1 0.00 180.0 1. Junmei et al, 1999 R2-D4-D4-R2 1 0.45 180.0 1. Junmei et al, 1999 R1-D4-D4-R1 1 1.20 180.0 1. Junmei et al, 1999 Q2-D4-J3-DA 1 0.00 000.0 -2. parm98, TC,PC,PAK Q2-D4-J3-DA 1 2.50 0.0 1. parm98, TC,PC,PAK Q2-D4-J3-D3 1 0.00 000.0 -2. parm98, TC,PC,PAK Q2-D4-J3-D3 1 2.50 0.0 1. parm98, TC,PC,PAK Q2-D4-D4-Q2 1 1.175 0.0 2. Piotr et al. Q2-D4-D4-Q2 1 0.144 0.0 -3. parm98, TC,PC,PAK Q1-DJ-Q2-D4 1 2.70 180.0 -2. Junmei et al, 1999 Q1-DJ-Q2-D4 1 1.40 180.0 1. Junmei et al, 1999 J3-D4-DJ-J3 1 1.70 180.0 -1. Junmei et al,1999 J3-D4-DJ-J3 1 2.00 180.0 2. Junmei et al,1999 DJ-J3-D4-DJ 1 0.85 180.0 -2. Junmei et al,1999 DJ-J3-D4-DJ 1 0.80 0.0 1. Junmei et al,1999 D4-T2-T2-D4 1 3.50 0.0 -2. JDJ,7,(1986),230 D4-T2-T2-D4 1 0.60 0.0 3. JDJ,7,(1986),230 D4-Q2-D4-Q2 1 0.10 0.0 -3. Junmei et al, 1999 D4-Q2-D4-Q2 1 0.85 180.0 -2. Junmei et al, 1999 D4-Q2-D4-Q2 1 1.35 180.0 1. Junmei et al, 1999 D4-Q2-D4-J3 1 0.383 0.0 -3. parm98.dat, TC,PC,PAK D4-Q2-D4-J3 1 0.65 0.0 2. Piotr et al. D4-D4-Q2-DJ 1 0.383 0.0 -3. Junmei et al, 1999 D4-D4-Q2-DJ 1 0.80 180.0 1. Junmei et al, 1999 D4-D4-Q2-D4 1 0.383 0.0 -3. D4-D4-Q2-D4 1 0.1 180.0 2. D4-D4-J4-D4 1 0.30 0.0 -3. Junmei et al, 1999 D4-D4-J4-D4 1 0.48 180.0 2. Junmei et al, 1999 D4-D4-J3-DJ 1 0.50 180.0 -4. phi,psi,parm94 D4-D4-J3-DJ 1 0.15 180.0 -3. phi,psi,parm94 D4-D4-J3-DJ 1 0.53 0.0 1. phi,psi,parm94 D4-D4-DJ-J3 1 0.100 0.0 -4. phi,psi,parm94 D4-D4-DJ-J3 1 0.07 0.0 2. phi,psi,parm94 D4-D4-D4-D4 1 0.18 0.0 -3. Junmei et al, 1999 D4-D4-D4-D4 1 0.25 180.0 -2. Junmei et al, 1999 D4-D4-D4-D4 1 0.20 180.0 1. Junmei et al, 1999 D4-D3-D3-D4 1 6.65 180.0 -2. Junmei et al, 1999 D4-D3-D3-D4 1 1.90 180.0 1. Junmei et al, 1999 D4-D2-D2-A 1 0.00 0.0 1. Junmei et al, 1999 D3-D3-DJ-Q1 1 2.175 180.0 -2. Junmei et al, 1999 D3-D3-DJ-Q1 1 0.30 0.0 3. Junmei et al, 1999 A -Q2-DJ-Q1 1 2.30 180.0 -2. Junmei et al, 1999 A -Q2-DJ-Q1 1 1.90 0.0 1. Junmei et al, 1999 A -Q2-D4-D4 1 0.16 0.0 -3. Junmei et al, 1999 A -Q2-D4-D4 1 0.25 0.0 1. Junmei et al, 1999 A -J3-DJ-Q1 1 2.50 180.0 -2. JDJ,7,(1986),230 A -J3-DJ-Q1 1 2.00 0.0 1. J.C.cistrans-NMA DE A -D4-DJ-Q1 1 0.08 180.0 3. Junmei et al, 1999 A -D4-DJ-Q1 1 0.80 0.0 -1. Junmei et al, 1999 A -D4-D4-R3 1 0.55 0.0 1. combination of 2 A -D4-D4-R2 1 0.25 0.0 1. combination of 2 A -D4-D4-R1 1 0.19 0.0 1. combination of 2 A -D4-D4-Q2 1 0.25 0.0 1. combination of 4 A -D4-D4-D4 1 0.16 0.0 3. Junmei et al, 1999 A -D4-D4-A 1 0.15 0.0 3. Junmei et al, 1999 A -D4-D3-D3 1 0.38 180.0 -3. Junmei et al, 1999 A -D4-D3-D3 1 1.15 0.0 1. Junmei et al, 1999 A -T2-T2-D4 1 3.50 0.0 -2. WLD from D4-T2-T2-D4 A -T2-T2-D4 1 0.60 0.0 3. WLD from D4-T2-T2-D4 X -X -DJ-JA 10.5 180. 2. WLD from X -X -DJ-Q1 X -X -DJ-QN 10.5 180. 2. WLD from X -X -DJ-Q1 X -X -J3-DA 1.0 180. 2. RSM, estimated X -X -J3-D4 10.5 180. 2. RSM, korig = 1.0 X -X -J3-A 1.0 180. 2. JDJ,7,(1986),230 X -X -DJ-Q1 10.5 180. 2. JDJ,7,(1986),230 X -X -DA-TA 1.1 180. 2. RSM, estimated X -X -DA-JA 1.1 180. 2. RSM, estimated X -X -DA-J3 1.1 180. 2. RSM, estimated X -X -DA-D4 1.1 180. 2. RSM, estimated X -X -DA-D2 1.1 180. 2. RSM, estimated X -X -DA-A 1.1 180. 2. bsd.on C6H6 nmodes X -X -D3-A 1.1 180. 2. X -QN-DJ-QN 10.5 180. 2. JDJ,7,(1986),230 X -J3-DA-J3 10.5 180. 2. JDJ,7,(1986),230 X -D4-J3-D4 1.0 180. 2. JDJ,7,(1986),230 JA-DA-DJ-D4 1.1 180. 2. JA-D3-DA-J3 1.1 180. 2. dac guess, 9/94 J3-JA-DA-J3 1.1 180. 2. dac, 10/94 J3-DA-DJ-D4 1.1 180. 2. DJ-JA-DA-J3 1.1 180. 2. dac, 10/94 DJ-D4-J3-Q1 1.1 180. 2. Junmei et al.1999 DJ-D4-J3-A 1.1 180. 2. Junmei et al.1999 DJ-D3-D3-D4 1.1 180. 2. dac guess, 9/94 DA-DJ-J3-D4 1.0 180. 2. DA-DJ-DA-D4 1.1 180. 2. DA-DA-DJ-Q2 1.1 180. 2. (not used in tyr!) DA-DA-DA-R3 1.1 180. 2. Junmei et al.1999 DA-DA-DA-Q2 1.1 180. 2. in tyr DA-DA-DA-D4 1.1 180. 2. D4-Q1-DJ-Q2 10.5 180. 2. D3-DJ-J3-D4 1.0 180. 2. dac guess, 9/94 D3-DJ-D3-D4 1.1 180. 2. D3-D4-D3-A 1.1 180. 2. Junmei et al.1999 D3-A -DJ-Q1 1.1 180. 2. Junmei et al.1999 A -Q1-DJ-Q2 1.1 180. 2. Junmei et al.1999 A Q2 0000. 0000. 4. flag for fast water J1 J1 J2 J3 J4 D2 D2 D3 D4 MOD4 RE A 1.3870 0.0157 A Venstra et al JCC,8,(1992),963 QN 1.6612 0.2100 O OPLS QA 1.6612 0.2100 O OPLS Q2 1.6612 0.2100 O OPLS Q1 1.6612 0.2100 O2 OPLS D4 1.9080 0.1094 Spellmeyer D3 1.9080 0.0860 Spellmeyer DA 1.9080 0.0860 Spellmeyer DJ 1.9080 0.0860 Spellmeyer D2 1.9080 0.0860 cp C J1 1.8240 0.1700 OPLS J2 1.8240 0.1700 OPLS J3 1.8240 0.1700 OPLS J4 1.8240 0.1700 OPLS JJ 1.8240 0.1700 OPLS JA 1.8240 0.1700 OPLS JN 1.8240 0.1700 OPLS R1 1.75 0.061 F Gough et al. JCC 13,(1992),963. R2 1.948 0.265 Cl Fox, JPCB,102,8070,(98),flex.mdl CHCl3 R3 2.22 0.320 Br Junmei(?) R4 2.35 0.40 I JCC,7,(1986),230; T4 2.0000 0.2500 S W. Cornell CH3SH and CH3SCH3 FEP's TA 2.0000 0.2500 S W. Cornell CH3SH and CH3SCH3 FEP's T2 2.0000 0.2500 S W. Cornell CH3SH and CH3SCH3 FEP's T1 2.0000 0.2500 S W. Cornell CH3SH and CH3SCH3 FEP's END # hydrogen TINKER A 1 1 # carbon TINKER D4 6 4 TINKER D3 6 3 TINKER DA 6 3 TINKER DJ 6 3 TINKER D2 6 2 # fluorine TINKER R1 9 1 # chloride TINKER R2 17 1 # bromine TINKER R3 35 1 # iodine TINKER R4 53 1 # nitrogen TINKER J4 7 4 TINKER J3 7 3 TINKER JA 7 2 TINKER JN 7 2 TINKER J1 7 1 # oxygen TINKER QA 8 3 TINKER Q2 8 2 TINKER Q1 8 1 TINKER QN 8 1 # sulfer TINKER T4 16 4 TINKER TA 16 2 TINKER T2 16 2 TINKER T1 16 1