NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
280899 | 2kdw | cing | 1-original | 1 | AMBER | distance | NOE | ambi |
# # 95 GLN HN 7 TYR HD 4.50 (# 0:60 Unique 2.15, 4.48 A) &rst ixpk= 0, nxpk= 60, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, igr2= 91, 100, &end # # 0 AMB 60-2:1 7 TYR HD 5.50 (# 1:60 Single Ambig) &rst ixpk= 1, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1512,1218, igr2= 91, 100, &end # # 7 TYR HN 7 TYR HD 4.50 (# 2:60 Unique 3.16, 4.06 A) &rst ixpk= 2, nxpk= 60, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 91, 100, &end # # 7 TYR HE 7 TYR HD 2.80 (# 3:60 Unique 2.46, 3.69 A) &rst ixpk= 3, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 93, 98, igr2= 91, 100, &end # # 94 GLY HA+ 7 TYR HD 5.50 (# 5:60 Unique 1.95, 4.73 A) &rst ixpk= 5, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1533,1534, igr2= 91, 100, &end # # 0 AMB 60-2:6 7 TYR HD 3.50 (# 6:60 Single Ambig) &rst ixpk= 6, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 87, 88, 68, 69, igr2= 91, 100, &end # # 0 AMB 60-2:7 7 TYR HD 5.50 (# 7:60 Single Ambig) &rst ixpk= 7, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 68, 69, 44, 45, igr2= 91, 100, &end # # 7 TYR HB- 7 TYR HD 4.50 (# 8:60 Unique 2.35, 3.08 A) &rst ixpk= 8, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 87, 88, igr2= 91, 100, &end # # 0 AMB 60-2:9 7 TYR HD 5.50 (# 9:60 Single Ambig) &rst ixpk= 9, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1559,1560,1198,1199, igr2= 91, 100, &end # # 0 AMB 60-2:10 7 TYR HD 5.50 (# 10:60 Single Ambig) &rst ixpk= 10, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1201,1202,1565,1566, igr2= 91, 100, &end # # 0 AMB 60-2:11 7 TYR HD 4.50 (# 11:60 Single Ambig) &rst ixpk= 11, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1522,1523,1525,1526,1527, igr2= 91, 100, &end # # 0 AMB 60-2:12 7 TYR HE 5.50 (# 12:60 Single Ambig) &rst ixpk= 12, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1218,1512, igr2= 93, 98, &end # # 95 GLN HN 7 TYR HE 5.50 (# 13:60 Unique 2.73, 5.02 A) &rst ixpk= 13, nxpk= 60, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 93, 98, &end # # 0 AMB 60-2:14 7 TYR HE 5.50 (# 14:60 Single Ambig) &rst ixpk= 14, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1261, 83, igr2= 93, 98, &end # # 7 TYR HD 7 TYR HE 2.80 (# 15:60 Unique 2.46, 3.69 A) &rst ixpk= 15, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 91, 100, igr2= 93, 98, &end # # 78 LYS HA 7 TYR HE 5.50 (# 16:60 Unique 3.23, 5.78 A) &rst ixpk= 16, nxpk= 60, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 93, 98, &end # # 94 GLY HA+ 7 TYR HE 5.50 (# 17:60 Unique 1.99, 4.72 A) &rst ixpk= 17, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1533,1534, igr2= 93, 98, &end # # 94 GLY HA- 7 TYR HE 5.50 (# 18:60 Unique 1.99, 4.72 A) &rst ixpk= 18, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1533,1534, igr2= 93, 98, &end # # 0 AMB 60-2:19 7 TYR HE 4.50 (# 19:60 Single Ambig) &rst ixpk= 19, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 68, 69,1252,1253,1252,1253, igr2= 93, 98, &end # # 76 ARG HD- 7 TYR HE 5.50 (# 20:60 Unique 2.03, 5.36 A) &rst ixpk= 20, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1204,1205, igr2= 93, 98, &end # # 0 AMB 60-2:21 7 TYR HE 5.50 (# 21:60 Single Ambig) &rst ixpk= 21, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1249,1250,1249,1250, igr2= 93, 98, &end # # 0 AMB 60-2:22 7 TYR HE 4.50 (# 22:60 Single Ambig) &rst ixpk= 22, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1198,1199,1246,1247, igr2= 93, 98, &end # # 0 AMB 60-2:23 7 TYR HE 4.50 (# 23:60 Single Ambig) &rst ixpk= 23, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1198,1199,1246,1247, igr2= 93, 98, &end # # 0 AMB 60-2:24 7 TYR HE 4.50 (# 24:60 Single Ambig) &rst ixpk= 24, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1522,1523,1525,1526,1527, igr2= 93, 98, &end # # 24 TRP HE1 24 TRP HD1 4.50 (# 25:60 Unique 2.57, 2.57 A) &rst ixpk= 25, nxpk= 60, iat= 366, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 131 TYR HE 24 TRP HD1 4.50 (# 27:60 Unique 2.16, 6.43 A) &rst ixpk= 27, nxpk= 60, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=2144,2149, &end # # 24 TRP HB+ 24 TRP HD1 5.50 (# 28:60 Unique 2.55, 3.02 A) &rst ixpk= 28, nxpk= 60, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 360, 361, &end # # 24 TRP HB- 24 TRP HD1 5.50 (# 29:60 Unique 2.55, 3.02 A) &rst ixpk= 29, nxpk= 60, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 360, 361, &end # # 0 AMB 60-2:30 24 TRP HD1 5.50 (# 30:60 Single Ambig) &rst ixpk= 30, nxpk= 60, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2021,2022, 514, 515, &end # # 127 VAL MGX 24 TRP HD1 5.50 (# 31:60 Unique 2.31, 4.45 A) &rst ixpk= 31, nxpk= 60, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2068,2069,2070,2072,2073,2074, &end # # 127 VAL MGY 24 TRP HD1 4.50 (# 32:60 Unique 2.31, 4.45 A) &rst ixpk= 32, nxpk= 60, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=2068,2069,2070,2072,2073,2074, &end # # 24 TRP HE1 131 TYR HE 4.50 (# 33:60 Unique 2.30, 5.75 A) &rst ixpk= 33, nxpk= 60, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2144,2149, &end # # 135 GLN HE2- 131 TYR HE 4.50 (# 34:60 Unique 2.24, 5.17 A) &rst ixpk= 34, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2221,2222, igr2=2144,2149, &end # # 135 GLN HE2+ 131 TYR HE 5.50 (# 35:60 Unique 2.24, 5.17 A) &rst ixpk= 35, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2221,2222, igr2=2144,2149, &end # # 0 AMB 60-2:36 131 TYR HE 2.80 (# 36:60 Single Ambig) &rst ixpk= 36, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 364,2142,2151, igr2=2144,2149, &end # # 0 AMB 60-2:37 131 TYR HE 5.50 (# 37:60 Single Ambig) &rst ixpk= 37, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2138,2139,2024,2025, igr2=2144,2149, &end # # 127 VAL HB 131 TYR HE 5.50 (# 38:60 Unique 3.25, 5.06 A) &rst ixpk= 38, nxpk= 60, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2144,2149, &end # # 135 GLN HG+ 131 TYR HE 5.50 (# 39:60 Unique 1.95, 4.52 A) &rst ixpk= 39, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2216,2217, igr2=2144,2149, &end # # 135 GLN HG- 131 TYR HE 5.50 (# 40:60 Unique 1.95, 4.52 A) &rst ixpk= 40, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2216,2217, igr2=2144,2149, &end # # 127 VAL MGX 131 TYR HE 4.50 (# 41:60 Unique 2.01, 5.65 A) &rst ixpk= 41, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2068,2069,2070,2072,2073,2074, igr2=2144,2149, &end # # 127 VAL MGY 131 TYR HE 4.50 (# 42:60 Unique 2.01, 5.65 A) &rst ixpk= 42, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2068,2069,2070,2072,2073,2074, igr2=2144,2149, &end # # 28 PHE HE 28 PHE HD 2.80 (# 44:60 Unique 2.46, 3.69 A) &rst ixpk= 44, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 448, 452, igr2= 446, 454, &end # # 122 ASP HA 28 PHE HD 5.50 (# 45:60 Unique 3.77, 6.22 A) &rst ixpk= 45, nxpk= 60, iat=1973, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 446, 454, &end # # 0 AMB 60-2:46 0 AMB 60-1:46 5.50 (# 46:60 Double Ambig) &rst ixpk= 46, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 440, 861, igr2= 446, 454, 847, 855, &end # # 0 AMB 60-2:47 28 PHE HD 5.50 (# 47:60 Single Ambig) &rst ixpk= 47, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 442, 443,1923,1924, igr2= 446, 454, &end # # 28 PHE HB- 28 PHE HD 4.50 (# 48:60 Unique 2.29, 3.04 A) &rst ixpk= 48, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 442, 443, igr2= 446, 454, &end # # 0 AMB 60-2:49 31 HIS HD2 4.50 (# 49:60 Single Ambig) &rst ixpk= 49, nxpk= 60, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 482, 458, &end # # 30 GLN HN 31 HIS HD2 5.50 (# 50:60 Unique 2.74, 4.04 A) &rst ixpk= 50, nxpk= 60, iat= 465, 495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 31 HIS HA 31 HIS HD2 4.50 (# 51:60 Unique 2.40, 2.82 A) &rst ixpk= 51, nxpk= 60, iat= 484, 495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 31 HIS HB+ 31 HIS HD2 5.50 (# 54:60 Unique 2.98, 3.61 A) &rst ixpk= 54, nxpk= 60, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 486, 487, &end # # 0 AMB 60-2:55 31 HIS HD2 5.50 (# 55:60 Single Ambig) &rst ixpk= 55, nxpk= 60, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 460, 461, 486, 487, &end # # 0 AMB 60-2:56 31 HIS HD2 5.50 (# 56:60 Single Ambig) &rst ixpk= 56, nxpk= 60, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 472, 473, 472, 473, &end # # 33 TRP HE1 33 TRP HD1 3.50 (# 58:60 Unique 2.57, 2.57 A) &rst ixpk= 58, nxpk= 60, iat= 520, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 33 TRP HN 33 TRP HD1 5.50 (# 59:60 Unique 1.93, 2.58 A) &rst ixpk= 59, nxpk= 60, iat= 510, 518, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 33 TRP HB+ 33 TRP HD1 5.50 (# 62:60 Unique 2.56, 3.28 A) &rst ixpk= 62, nxpk= 60, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 514, 515, &end # # 33 TRP HB- 33 TRP HD1 5.50 (# 63:60 Unique 2.56, 3.28 A) &rst ixpk= 63, nxpk= 60, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 514, 515, &end # # 33 TRP HE1 33 TRP HZ2 4.50 (# 64:60 Unique 2.82, 2.82 A) &rst ixpk= 64, nxpk= 60, iat= 520, 523, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 33 TRP HH2 33 TRP HZ2 3.50 (# 65:60 Unique 2.46, 2.46 A) &rst ixpk= 65, nxpk= 60, iat= 525, 523, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 26 ARG HG- 33 TRP HZ2 5.50 (# 70:60 Unique 4.24, 5.69 A) &rst ixpk= 70, nxpk= 60, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 397, 398, &end # # 33 TRP HZ2 33 TRP HH2 4.50 (# 71:60 Unique 2.46, 2.46 A) &rst ixpk= 71, nxpk= 60, iat= 523, 525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 125 ARG HD- 33 TRP HH2 5.50 (# 72:60 Unique 2.12, 5.17 A) &rst ixpk= 72, nxpk= 60, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2024,2025, &end # # 25 ALA HA 33 TRP HH2 5.50 (# 73:60 Unique 3.77, 4.35 A) &rst ixpk= 73, nxpk= 60, iat= 382, 525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 55 PHE HE 55 PHE HD 2.80 (# 74:60 Unique 2.46, 3.69 A) &rst ixpk= 74, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 849, 853, igr2= 847, 855, &end # # 0 AMB 60-2:75 0 AMB 60-1:75 4.50 (# 75:60 Double Ambig) &rst ixpk= 75, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 841,1910, igr2= 847, 855, 446, 454, &end # # 55 PHE HB+ 55 PHE HD 4.50 (# 76:60 Unique 2.29, 3.04 A) &rst ixpk= 76, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 843, 844, igr2= 847, 855, &end # # 0 AMB 60-2:77 0 AMB 60-1:77 4.50 (# 77:60 Double Ambig) &rst ixpk= 77, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1= 843, 844,1975,1976, igr2= 847, 855, 446, 454, &end # # 56 GLU HG+ 55 PHE HD 4.50 (# 78:60 Unique 1.98, 4.84 A) &rst ixpk= 78, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 866, 867, igr2= 847, 855, &end # # 56 GLU HG- 55 PHE HD 5.50 (# 79:60 Unique 1.98, 4.84 A) &rst ixpk= 79, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 866, 867, igr2= 847, 855, &end # # 115 THR MG2 55 PHE HD 5.50 (# 80:60 Unique 3.06, 6.49 A) &rst ixpk= 80, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1878,1879,1880, igr2= 847, 855, &end # # 28 PHE HD 28 PHE HE 2.80 (# 81:60 Unique 2.46, 3.69 A) &rst ixpk= 81, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 446, 454, igr2= 448, 452, &end # # 119 PRO HD- 28 PHE HE 5.50 (# 83:60 Unique 1.96, 5.69 A) &rst ixpk= 83, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1923,1924, igr2= 448, 452, &end # # 0 AMB 60-2:84 28 PHE HE 5.50 (# 84:60 Single Ambig) &rst ixpk= 84, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=1859,1860,1862,1863,1862,1863, igr2= 448, 452, &end # # 55 PHE HD 55 PHE HE 2.80 (# 85:60 Unique 2.46, 3.69 A) &rst ixpk= 85, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 847, 855, igr2= 849, 853, &end # # 115 THR HB 55 PHE HE 5.50 (# 86:60 Unique 2.23, 8.73 A) &rst ixpk= 86, nxpk= 60, iat=1876, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 849, 853, &end # # 56 GLU HG- 55 PHE HE 5.50 (# 87:60 Unique 2.11, 5.47 A) &rst ixpk= 87, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 866, 867, igr2= 849, 853, &end # # 51 TYR HN 51 TYR HD 4.50 (# 88:60 Unique 1.84, 3.30 A) &rst ixpk= 88, nxpk= 60, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 773, 782, &end # # 51 TYR HE 51 TYR HD 3.50 (# 89:60 Unique 2.46, 3.69 A) &rst ixpk= 89, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 775, 780, igr2= 773, 782, &end # # 0 AMB 60-2:90 0 AMB 60-1:90 4.50 (# 90:60 Double Ambig) &rst ixpk= 90, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 767,2291, igr2= 773, 782,1226,1235, &end # # 51 TYR HB+ 51 TYR HD 4.50 (# 91:60 Unique 2.30, 3.05 A) &rst ixpk= 91, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 769, 770, igr2= 773, 782, &end # # 0 AMB 60-2:92 51 TYR HD 4.50 (# 92:60 Single Ambig) &rst ixpk= 92, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 769, 770, 952, 953, 952, 953, igr2= 773, 782, &end # # 54 LEU MDX 51 TYR HD 5.50 (# 93:60 Unique 1.98, 5.94 A) &rst ixpk= 93, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 829, 830, 831, 833, 834, 835, igr2= 773, 782, &end # # 0 AMB 60-2:94 0 AMB 60-1:94 5.50 (# 94:60 Double Ambig) &rst ixpk= 94, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.63, r4=11.13, igr1= 759, 760, 761,2296,2297,2296,2297, 921, 922, 923, 925, 926, 927, igr2= 773, 782,1226,1235, &end # # 62 ARG HN 51 TYR HE 5.50 (# 96:60 Unique 3.84, 5.33 A) &rst ixpk= 96, nxpk= 60, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 775, 780, &end # # 51 TYR HN 51 TYR HE 5.50 (# 97:60 Unique 3.91, 4.93 A) &rst ixpk= 97, nxpk= 60, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 775, 780, &end # # 51 TYR HD 51 TYR HE 2.80 (# 98:60 Unique 2.46, 3.69 A) &rst ixpk= 98, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1= 773, 782, igr2= 775, 780, &end # # 0 AMB 60-2:100 51 TYR HE 4.50 (# 100:60 Single Ambig) &rst ixpk= 100, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 767,1042, 740, igr2= 775, 780, &end # # 62 ARG HA 51 TYR HE 4.50 (# 101:60 Unique 2.16, 3.97 A) &rst ixpk= 101, nxpk= 60, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 775, 780, &end # # 51 TYR HB+ 51 TYR HE 5.50 (# 102:60 Unique 4.61, 5.05 A) &rst ixpk= 102, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 769, 770, igr2= 775, 780, &end # # 0 AMB 60-2:103 51 TYR HE 5.50 (# 103:60 Single Ambig) &rst ixpk= 103, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1= 952, 953, 952, 953, igr2= 775, 780, &end # # 47 GLU HG+ 51 TYR HE 4.50 (# 104:60 Unique 1.98, 4.67 A) &rst ixpk= 104, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1= 713, 714, igr2= 775, 780, &end # # 62 ARG HB+ 51 TYR HE 5.50 (# 105:60 Unique 2.88, 3.98 A) &rst ixpk= 105, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 946, 947, igr2= 775, 780, &end # # 62 ARG HG+ 51 TYR HE 5.50 (# 106:60 Unique 3.95, 5.73 A) &rst ixpk= 106, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 949, 950, igr2= 775, 780, &end # # 54 LEU MDX 51 TYR HE 3.50 (# 107:60 Unique 3.40, 7.19 A) &rst ixpk= 107, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 829, 830, 831, 833, 834, 835, igr2= 775, 780, &end # # 65 VAL MGX 51 TYR HE 3.50 (# 108:60 Unique 1.94, 5.73 A) &rst ixpk= 108, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=1006,1007,1008,1010,1011,1012, igr2= 775, 780, &end # # 50 MET ME 51 TYR HE 4.50 (# 109:60 Unique 2.50, 4.48 A) &rst ixpk= 109, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 759, 760, 761, igr2= 775, 780, &end # # 61 SER HA 55 PHE HD 5.50 (# 110:60 Unique 2.14, 5.24 A) &rst ixpk= 110, nxpk= 60, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 847, 855, &end # # 74 TRP HE1 74 TRP HD1 2.80 (# 111:60 Unique 2.57, 2.57 A) &rst ixpk= 111, nxpk= 60, iat=1161,1159, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 74 TRP HN 74 TRP HD1 4.50 (# 112:60 Unique 1.97, 2.52 A) &rst ixpk= 112, nxpk= 60, iat=1151,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 73 ASN HA 74 TRP HD1 5.50 (# 113:60 Unique 2.38, 3.86 A) &rst ixpk= 113, nxpk= 60, iat=1139,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 60-2:114 74 TRP HD1 5.50 (# 114:60 Single Ambig) &rst ixpk= 114, nxpk= 60, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1153,1103, &end # # 74 TRP HB- 74 TRP HD1 5.50 (# 115:60 Unique 2.61, 3.26 A) &rst ixpk= 115, nxpk= 60, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1155,1156, &end # # 0 AMB 60-2:116 74 TRP HD1 4.50 (# 116:60 Single Ambig) &rst ixpk= 116, nxpk= 60, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=1141,1142,1155,1156, &end # # 130 TRP HH2 130 TRP HZ2 2.80 (# 118:60 Unique 2.46, 2.46 A) &rst ixpk= 118, nxpk= 60, iat=2125,2123, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 0 AMB 60-2:119 130 TRP HZ2 5.50 (# 119:60 Single Ambig) &rst ixpk= 119, nxpk= 60, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2097,2106,2099,2104, &end # # 108 ASP HA 126 TRP HZ2 5.50 (# 120:60 Unique 1.99, 2.87 A) &rst ixpk= 120, nxpk= 60, iat=1770,2051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 111 ILE QD1 126 TRP HZ2 5.50 (# 121:60 Unique 1.98, 3.19 A) &rst ixpk= 121, nxpk= 60, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1818,1819,1820, &end # # 104 LEU MDY 126 TRP HZ2 3.50 (# 122:60 Unique 2.19, 4.91 A) &rst ixpk= 122, nxpk= 60, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1724,1725,1726,1728,1729,1730, &end # # 152 ALA MB 130 TRP HZ2 4.50 (# 123:60 Unique 1.98, 3.05 A) &rst ixpk= 123, nxpk= 60, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1=2526,2527,2528, &end # # 0 AMB 60-2:124 0 AMB 60-1:124 5.50 (# 124:60 Double Ambig) &rst ixpk= 124, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1722,2472,2473, igr2=2051,2123, &end # # 40 ILE QD1 74 TRP HH2 3.50 (# 126:60 Unique 2.00, 3.04 A) &rst ixpk= 126, nxpk= 60, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr1= 629, 630, 631, &end # # 40 ILE HG1- 74 TRP HH2 5.50 (# 127:60 Unique 2.84, 3.97 A) &rst ixpk= 127, nxpk= 60, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 626, 627, &end # # 0 AMB 60-2:128 74 TRP HH2 5.50 (# 128:60 Single Ambig) &rst ixpk= 128, nxpk= 60, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 755, 756, 752, 753, &end # # 96 LYS HE- 74 TRP HH2 4.50 (# 129:60 Unique 3.39, 4.77 A) &rst ixpk= 129, nxpk= 60, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1568,1569, &end # # 0 AMB 60-2:130 74 TRP HH2 5.50 (# 130:60 Single Ambig) &rst ixpk= 130, nxpk= 60, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69, igr1= 160, 135, 136, 710, 711, &end # # 96 LYS HE+ 74 TRP HH2 5.50 (# 131:60 Unique 3.39, 4.77 A) &rst ixpk= 131, nxpk= 60, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1568,1569, &end # # 74 TRP HZ2 74 TRP HH2 2.80 (# 133:60 Unique 2.46, 2.46 A) &rst ixpk= 133, nxpk= 60, iat=1164,1166, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 78 LYS HN 77 TYR HD 4.50 (# 134:60 Unique 3.09, 4.33 A) &rst ixpk= 134, nxpk= 60, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1226,1235, &end # # 77 TYR HN 77 TYR HD 4.50 (# 135:60 Unique 2.42, 3.79 A) &rst ixpk= 135, nxpk= 60, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1226,1235, &end # # 139 PHE HE 77 TYR HD 4.50 (# 137:60 Unique 1.96, 5.73 A) &rst ixpk= 137, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2279,2283, igr2=1226,1235, &end # # 0 AMB 60-2:138 77 TYR HD 4.50 (# 138:60 Single Ambig) &rst ixpk= 138, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2277,2285,1589,1590, igr2=1226,1235, &end # # 0 AMB 60-2:139 0 AMB 60-1:139 2.80 (# 139:60 Double Ambig) &rst ixpk= 139, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1=1228,1233, 955, igr2=1226,1235, 773, 782, &end # # 77 TYR HA 77 TYR HD 4.50 (# 140:60 Unique 3.81, 4.17 A) &rst ixpk= 140, nxpk= 60, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1226,1235, &end # # 77 TYR HB+ 77 TYR HD 3.50 (# 141:60 Unique 2.30, 3.05 A) &rst ixpk= 141, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1222,1223, igr2=1226,1235, &end # # 77 TYR HB- 77 TYR HD 3.50 (# 142:60 Unique 2.30, 3.05 A) &rst ixpk= 142, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=1222,1223, igr2=1226,1235, &end # # 0 AMB 60-2:143 0 AMB 60-1:143 4.50 (# 143:60 Double Ambig) &rst ixpk= 143, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2351, 713, 714, igr2=1226,1235, 773, 782, &end # # 0 AMB 60-2:144 0 AMB 60-1:144 5.50 (# 144:60 Double Ambig) &rst ixpk= 144, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1= 824, 825,1542,1543,1004, igr2= 773, 782,1226,1235, &end # # 0 AMB 60-2:145 0 AMB 60-1:145 5.50 (# 145:60 Double Ambig) &rst ixpk= 145, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30, igr1=1179,1180,1243,1244, 790, 791,1249,1250, igr2=1226,1235, 773, 782, &end # # 0 AMB 60-2:146 0 AMB 60-1:146 5.50 (# 146:60 Double Ambig) &rst ixpk= 146, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 946, 947,1201,1202, igr2= 773, 782,1226,1235, &end # # 0 AMB 60-2:147 0 AMB 60-1:147 5.50 (# 147:60 Double Ambig) &rst ixpk= 147, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1= 824, 825,1542,1543, igr2= 773, 782,1226,1235, &end # # 0 AMB 60-2:148 77 TYR HD 3.50 (# 148:60 Single Ambig) &rst ixpk= 148, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357, 2358,2359, igr2=1226,1235, &end # # 0 AMB 60-2:149 0 AMB 60-1:149 4.50 (# 149:60 Double Ambig) &rst ixpk= 149, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68, igr1=1270,1271,1272,1274,1275,1276,1006,1007,1008,1010, 1011,1012,1006,1007,1008,1010,1011,1012, igr2=1226,1235, 773, 782, &end # # 139 PHE HE 77 TYR HE 4.50 (# 150:60 Unique 2.05, 5.52 A) &rst ixpk= 150, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2279,2283, igr2=1228,1233, &end # # 0 AMB 60-2:151 77 TYR HE 4.50 (# 151:60 Single Ambig) &rst ixpk= 151, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=1589,1590,2277,2285, igr2=1228,1233, &end # # 77 TYR HD 77 TYR HE 2.80 (# 152:60 Unique 2.46, 3.69 A) &rst ixpk= 152, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=1226,1235, igr2=1228,1233, &end # # 97 GLN HE2- 77 TYR HE 5.50 (# 153:60 Unique 1.91, 4.87 A) &rst ixpk= 153, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1589,1590, igr2=1228,1233, &end # # 0 AMB 60-2:154 77 TYR HE 5.50 (# 154:60 Single Ambig) &rst ixpk= 154, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2418,2419,2418,2419,2367,2368, igr2=1228,1233, &end # # 80 PRO HD- 77 TYR HE 5.50 (# 156:60 Unique 3.73, 7.31 A) &rst ixpk= 156, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1281,1282, igr2=1228,1233, &end # # 0 AMB 60-2:157 77 TYR HE 5.50 (# 157:60 Single Ambig) &rst ixpk= 157, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2351,1545,1546, igr2=1228,1233, &end # # 0 AMB 60-2:158 77 TYR HE 5.50 (# 158:60 Single Ambig) &rst ixpk= 158, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=1542,1543,1179,1180, igr2=1228,1233, &end # # 0 AMB 60-2:159 77 TYR HE 5.50 (# 159:60 Single Ambig) &rst ixpk= 159, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2299,2300,1542,1543, igr2=1228,1233, &end # # 0 AMB 60-2:160 77 TYR HE 5.50 (# 160:60 Single Ambig) &rst ixpk= 160, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2299,2300,1268, igr2=1228,1233, &end # # 0 AMB 60-2:161 77 TYR HE 4.50 (# 161:60 Single Ambig) &rst ixpk= 161, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34, igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357, 2358,2359,1265,1266, igr2=1228,1233, &end # # 79 LEU MDY 77 TYR HE 4.50 (# 162:60 Unique 1.97, 5.75 A) &rst ixpk= 162, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=1270,1271,1272,1274,1275,1276, igr2=1228,1233, &end # # 84 VAL MGX 86 TRP HD1 4.50 (# 163:60 Unique 2.46, 4.83 A) &rst ixpk= 163, nxpk= 60, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1365,1366,1367,1369,1370,1371, &end # # 91 VAL MGX 86 TRP HD1 5.50 (# 164:60 Unique 4.08, 6.49 A) &rst ixpk= 164, nxpk= 60, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1491,1492,1493,1495,1496,1497, &end # # 84 VAL HB 86 TRP HD1 5.50 (# 166:60 Unique 2.56, 3.22 A) &rst ixpk= 166, nxpk= 60, iat=1363,1407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 60-2:167 86 TRP HD1 3.50 (# 167:60 Single Ambig) &rst ixpk= 167, nxpk= 60, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1403,1404,1307,1308,1307,1308, &end # # 86 TRP HB+ 86 TRP HD1 4.50 (# 168:60 Unique 2.57, 3.29 A) &rst ixpk= 168, nxpk= 60, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1403,1404, &end # # 0 AMB 60-2:169 86 TRP HD1 5.50 (# 169:60 Single Ambig) &rst ixpk= 169, nxpk= 60, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1401,1318, &end # # 85 ARG HA 86 TRP HD1 5.50 (# 170:60 Unique 2.83, 3.33 A) &rst ixpk= 170, nxpk= 60, iat=1377,1407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 86 TRP HN 86 TRP HD1 3.50 (# 171:60 Unique 2.10, 3.16 A) &rst ixpk= 171, nxpk= 60, iat=1399,1407, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 85 ARG HN 86 TRP HD1 5.50 (# 172:60 Unique 3.45, 4.13 A) &rst ixpk= 172, nxpk= 60, iat=1375,1407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 87 ASP HN 86 TRP HD1 5.50 (# 173:60 Unique 4.98, 5.32 A) &rst ixpk= 173, nxpk= 60, iat=1423,1407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 86 TRP HE1 86 TRP HD1 2.80 (# 174:60 Unique 2.57, 2.57 A) &rst ixpk= 174, nxpk= 60, iat=1409,1407, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 86 TRP HE3 86 TRP HZ3 3.50 (# 197:60 Unique 2.46, 2.46 A) &rst ixpk= 197, nxpk= 60, iat=1418,1416, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 0 AMB 60-2:199 86 TRP HZ3 5.50 (# 199:60 Single Ambig) &rst ixpk= 199, nxpk= 60, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1307,1308,1307,1308, &end # # 91 VAL MGX 86 TRP HZ3 5.50 (# 200:60 Unique 1.98, 4.15 A) &rst ixpk= 200, nxpk= 60, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1491,1492,1493,1495,1496,1497, &end # # 91 VAL MGX 86 TRP HE3 5.50 (# 202:60 Unique 1.99, 3.63 A) &rst ixpk= 202, nxpk= 60, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1491,1492,1493,1495,1496,1497, &end # # 91 VAL MGY 86 TRP HE3 5.50 (# 203:60 Unique 1.99, 3.63 A) &rst ixpk= 203, nxpk= 60, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=1491,1492,1493,1495,1496,1497, &end # # 86 TRP HB- 86 TRP HE3 5.50 (# 204:60 Unique 2.42, 3.28 A) &rst ixpk= 204, nxpk= 60, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1403,1404, &end # # 86 TRP HB+ 86 TRP HE3 5.50 (# 205:60 Unique 2.42, 3.28 A) &rst ixpk= 205, nxpk= 60, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1403,1404, &end # # 86 TRP HA 86 TRP HE3 5.50 (# 206:60 Unique 2.59, 3.38 A) &rst ixpk= 206, nxpk= 60, iat=1401,1418, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 86 TRP HZ3 86 TRP HE3 4.50 (# 207:60 Unique 2.46, 2.46 A) &rst ixpk= 207, nxpk= 60, iat=1416,1418, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 99 TRP HE1 99 TRP HD1 4.50 (# 208:60 Unique 2.57, 2.57 A) &rst ixpk= 208, nxpk= 60, iat=1626,1624, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 99 TRP HN 99 TRP HD1 5.50 (# 210:60 Unique 1.93, 2.17 A) &rst ixpk= 210, nxpk= 60, iat=1616,1624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 98 LYS HA 99 TRP HD1 5.50 (# 211:60 Unique 2.77, 3.42 A) &rst ixpk= 211, nxpk= 60, iat=1596,1624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 97 GLN HB- 99 TRP HD1 4.50 (# 213:60 Unique 2.58, 5.21 A) &rst ixpk= 213, nxpk= 60, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1=1581,1582, &end # # 75 LEU MDX 99 TRP HD1 4.50 (# 214:60 Unique 1.99, 4.97 A) &rst ixpk= 214, nxpk= 60, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1184,1185,1186,1188,1189,1190, &end # # 71 THR MG2 99 TRP HD1 5.50 (# 215:60 Unique 2.08, 4.37 A) &rst ixpk= 215, nxpk= 60, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1105,1106,1107, &end # # 147 VAL MGY 99 TRP HD1 5.50 (# 216:60 Unique 3.06, 5.49 A) &rst ixpk= 216, nxpk= 60, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2438,2439,2440,2442,2443,2444, &end # # 100 PHE HN 99 TRP HE3 5.50 (# 217:60 Unique 4.41, 4.83 A) &rst ixpk= 217, nxpk= 60, iat=1640,1635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 144 TYR HD 99 TRP HE3 5.50 (# 218:60 Unique 4.98, 6.29 A) &rst ixpk= 218, nxpk= 60, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2371,2380, &end # # 99 TRP HB+ 99 TRP HE3 5.50 (# 219:60 Unique 2.40, 3.21 A) &rst ixpk= 219, nxpk= 60, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1620,1621, &end # # 99 TRP HB- 99 TRP HE3 5.50 (# 220:60 Unique 2.40, 3.21 A) &rst ixpk= 220, nxpk= 60, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1620,1621, &end # # 14 VAL MGX 99 TRP HE3 4.50 (# 221:60 Unique 1.97, 3.60 A) &rst ixpk= 221, nxpk= 60, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 204, 205, 206, 208, 209, 210, &end # # 147 VAL MGX 99 TRP HE3 5.50 (# 222:60 Unique 1.99, 3.52 A) &rst ixpk= 222, nxpk= 60, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2438,2439,2440,2442,2443,2444, &end # # 126 TRP HE1 126 TRP HD1 2.80 (# 223:60 Unique 2.57, 2.57 A) &rst ixpk= 223, nxpk= 60, iat=2048,2046, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end # # 126 TRP HN 126 TRP HD1 4.50 (# 224:60 Unique 2.34, 3.58 A) &rst ixpk= 224, nxpk= 60, iat=2038,2046, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 60-2:228 126 TRP HD1 3.50 (# 228:60 Single Ambig) &rst ixpk= 228, nxpk= 60, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=2042,2043,2042,2043, 248, 249, &end # # 126 TRP HE1 126 TRP HZ2 4.50 (# 230:60 Unique 2.82, 2.82 A) &rst ixpk= 230, nxpk= 60, iat=2048,2051, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 108 ASP HN 126 TRP HZ2 5.50 (# 231:60 Unique 3.00, 3.44 A) &rst ixpk= 231, nxpk= 60, iat=1768,2051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 17 ASN HD2+ 126 TRP HZ2 5.50 (# 232:60 Unique 3.06, 4.58 A) &rst ixpk= 232, nxpk= 60, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 253, 254, &end # # 126 TRP HD1 126 TRP HZ2 5.50 (# 233:60 Unique 5.04, 5.04 A) &rst ixpk= 233, nxpk= 60, iat=2046,2051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 60-2:234 126 TRP HZ2 5.50 (# 234:60 Single Ambig) &rst ixpk= 234, nxpk= 60, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1772,1773,1772,1773, &end # # 15 ILE QG2 126 TRP HZ2 5.50 (# 235:60 Unique 4.74, 6.35 A) &rst ixpk= 235, nxpk= 60, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 220, 221, 222, &end # # 111 ILE QD1 126 TRP HZ2 5.50 (# 236:60 Unique 1.98, 3.19 A) &rst ixpk= 236, nxpk= 60, iat= -1,2051, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1818,1819,1820, &end # # 126 TRP HE1 126 TRP HH2 5.50 (# 237:60 Unique 4.96, 4.97 A) &rst ixpk= 237, nxpk= 60, iat=2048,2053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 0 AMB 60-2:240 126 TRP HH2 5.50 (# 240:60 Single Ambig) &rst ixpk= 240, nxpk= 60, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1772,1773,1772,1773, &end # # 111 ILE QD1 126 TRP HH2 5.50 (# 242:60 Unique 1.99, 2.88 A) &rst ixpk= 242, nxpk= 60, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1818,1819,1820, &end # # 111 ILE QG2 126 TRP HH2 5.50 (# 243:60 Unique 1.98, 4.25 A) &rst ixpk= 243, nxpk= 60, iat= -1,2053, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1811,1812,1813, &end # # 0 AMB 60-2:244 129 TYR HD 5.50 (# 244:60 Single Ambig) &rst ixpk= 244, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2089,2575, igr2=2097,2106, &end # # 130 TRP HN 129 TYR HD 5.50 (# 245:60 Unique 1.76, 4.62 A) &rst ixpk= 245, nxpk= 60, iat=2110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2097,2106, &end # # 129 TYR HA 129 TYR HD 5.50 (# 246:60 Unique 1.85, 3.28 A) &rst ixpk= 246, nxpk= 60, iat=2091, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2097,2106, &end # # 129 TYR HB+ 129 TYR HD 5.50 (# 247:60 Unique 2.30, 3.06 A) &rst ixpk= 247, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2093,2094, igr2=2097,2106, &end # # 0 AMB 60-2:248 129 TYR HD 5.50 (# 248:60 Single Ambig) &rst ixpk= 248, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2093,2094,2455,2456,2582,2583, igr2=2097,2106, &end # # 152 ALA MB 129 TYR HD 5.50 (# 249:60 Unique 2.24, 5.82 A) &rst ixpk= 249, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2526,2527,2528, igr2=2097,2106, &end # # 148 MET ME 129 TYR HD 5.50 (# 250:60 Unique 2.04, 5.53 A) &rst ixpk= 250, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2459,2460,2461, igr2=2097,2106, &end # # 155 VAL MGY 129 TYR HD 5.50 (# 251:60 Unique 2.16, 5.95 A) &rst ixpk= 251, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2565,2566,2567,2569,2570,2571, igr2=2097,2106, &end # # 22 VAL MGY 129 TYR HD 4.50 (# 252:60 Unique 1.98, 6.04 A) &rst ixpk= 252, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1= 329, 330, 331, 333, 334, 335, igr2=2097,2106, &end # # 130 TRP HN 130 TRP HD1 4.50 (# 254:60 Unique 2.37, 3.60 A) &rst ixpk= 254, nxpk= 60, iat=2110,2118, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 129 TYR HD 130 TRP HD1 5.50 (# 255:60 Unique 3.59, 5.84 A) &rst ixpk= 255, nxpk= 60, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2097,2106, &end # # 130 TRP HB+ 130 TRP HD1 5.50 (# 256:60 Unique 2.55, 3.16 A) &rst ixpk= 256, nxpk= 60, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2114,2115, &end # # 130 TRP HB- 130 TRP HD1 3.50 (# 257:60 Unique 2.55, 3.16 A) &rst ixpk= 257, nxpk= 60, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=2114,2115, &end # # 0 AMB 60-2:258 0 AMB 60-1:258 5.50 (# 258:60 Double Ambig) &rst ixpk= 258, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56, igr1=2469,2470,1719,1720, 343, 344, 343, 344,1794,1795, igr2=2123,2051, &end # # 130 TRP HE1 130 TRP HH2 5.50 (# 259:60 Unique 4.96, 4.97 A) &rst ixpk= 259, nxpk= 60, iat=2120,2125, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 130 TRP HZ2 130 TRP HH2 3.50 (# 260:60 Unique 2.46, 2.46 A) &rst ixpk= 260, nxpk= 60, iat=2123,2125, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 127 VAL MGY 131 TYR HD 4.50 (# 263:60 Unique 2.00, 5.07 A) &rst ixpk= 263, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2068,2069,2070,2072,2073,2074, igr2=2142,2151, &end # # 127 VAL MGX 131 TYR HD 3.50 (# 264:60 Unique 2.00, 5.07 A) &rst ixpk= 264, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=2068,2069,2070,2072,2073,2074, igr2=2142,2151, &end # # 0 AMB 60-2:265 131 TYR HD 5.50 (# 265:60 Single Ambig) &rst ixpk= 265, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28, igr1=2216,2217,2162,2163, igr2=2142,2151, &end # # 127 VAL HB 131 TYR HD 4.50 (# 266:60 Unique 2.11, 4.23 A) &rst ixpk= 266, nxpk= 60, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2142,2151, &end # # 0 AMB 60-2:268 131 TYR HD 3.50 (# 268:60 Single Ambig) &rst ixpk= 268, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1=2138,2139,2138,2139, igr2=2142,2151, &end # # 132 PRO HD- 131 TYR HD 5.50 (# 269:60 Unique 1.93, 4.28 A) &rst ixpk= 269, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2156,2157, igr2=2142,2151, &end # # 132 PRO HD+ 131 TYR HD 5.50 (# 270:60 Unique 1.93, 4.28 A) &rst ixpk= 270, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2156,2157, igr2=2142,2151, &end # # 131 TYR HA 131 TYR HD 4.50 (# 271:60 Unique 3.06, 3.66 A) &rst ixpk= 271, nxpk= 60, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2142,2151, &end # # 131 TYR HE 131 TYR HD 2.80 (# 272:60 Unique 2.46, 3.69 A) &rst ixpk= 272, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2144,2149, igr2=2142,2151, &end # # 131 TYR HN 131 TYR HD 4.50 (# 273:60 Unique 4.16, 4.66 A) &rst ixpk= 273, nxpk= 60, iat=2134, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2142,2151, &end # # 128 SER HN 131 TYR HD 5.50 (# 274:60 Unique 1.95, 4.63 A) &rst ixpk= 274, nxpk= 60, iat=2078, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2142,2151, &end # # 131 TYR HA 131 TYR HE 5.50 (# 278:60 Unique 4.89, 5.49 A) &rst ixpk= 278, nxpk= 60, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2144,2149, &end # # 139 PHE HE 139 PHE HD 2.80 (# 279:60 Unique 2.46, 3.69 A) &rst ixpk= 279, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2279,2283, igr2=2277,2285, &end # # 139 PHE HB+ 139 PHE HD 5.50 (# 281:60 Unique 2.28, 3.04 A) &rst ixpk= 281, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2273,2274, igr2=2277,2285, &end # # 0 AMB 60-2:282 139 PHE HD 4.50 (# 282:60 Single Ambig) &rst ixpk= 282, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2273,2274,1222,1223, igr2=2277,2285, &end # # 137 VAL MGY 139 PHE HD 4.50 (# 283:60 Unique 1.98, 5.95 A) &rst ixpk= 283, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2248,2249,2250,2252,2253,2254, igr2=2277,2285, &end # # 137 VAL MGX 139 PHE HD 5.50 (# 284:60 Unique 1.98, 5.95 A) &rst ixpk= 284, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2248,2249,2250,2252,2253,2254, igr2=2277,2285, &end # # 139 PHE HD 139 PHE HE 2.80 (# 285:60 Unique 2.46, 3.69 A) &rst ixpk= 285, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, igr1=2277,2285, igr2=2279,2283, &end # # 139 PHE HB+ 139 PHE HE 5.50 (# 287:60 Unique 4.60, 5.04 A) &rst ixpk= 287, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2273,2274, igr2=2279,2283, &end # # 77 TYR HB- 139 PHE HE 5.50 (# 288:60 Unique 2.73, 6.38 A) &rst ixpk= 288, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=1222,1223, igr2=2279,2283, &end # # 0 AMB 60-2:289 139 PHE HE 4.50 (# 289:60 Single Ambig) &rst ixpk= 289, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68, igr1=1270,1271,1272,1274,1275,1276,1349,1350,1351,1353, 1354,1355,2248,2249,2250,2252,2253,2254, igr2=2279,2283, &end # # 0 AMB 60-2:290 139 PHE HE 5.50 (# 290:60 Single Ambig) &rst ixpk= 290, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23, igr1=2248,2249,2250,2252,2253,2254,2296,2297, igr2=2279,2283, &end # # 144 TYR HN 144 TYR HD 4.50 (# 291:60 Unique 3.45, 4.24 A) &rst ixpk= 291, nxpk= 60, iat=2363, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2371,2380, &end # # 144 TYR HE 144 TYR HD 3.50 (# 293:60 Unique 2.46, 3.69 A) &rst ixpk= 293, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2373,2378, igr2=2371,2380, &end # # 144 TYR HA 144 TYR HD 4.50 (# 295:60 Unique 2.24, 3.28 A) &rst ixpk= 295, nxpk= 60, iat=2365, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2371,2380, &end # # 144 TYR HB+ 144 TYR HD 4.50 (# 296:60 Unique 2.30, 3.06 A) &rst ixpk= 296, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr1=2367,2368, igr2=2371,2380, &end # # 144 TYR HB- 144 TYR HD 5.50 (# 297:60 Unique 2.30, 3.06 A) &rst ixpk= 297, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2367,2368, igr2=2371,2380, &end # # 148 MET HG- 144 TYR HD 5.50 (# 298:60 Unique 2.15, 5.63 A) &rst ixpk= 298, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2455,2456, igr2=2371,2380, &end # # 148 MET ME 144 TYR HD 5.50 (# 299:60 Unique 1.99, 5.01 A) &rst ixpk= 299, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2459,2460,2461, igr2=2371,2380, &end # # 0 AMB 60-2:300 144 TYR HD 4.50 (# 300:60 Single Ambig) &rst ixpk= 300, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14, igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357, 2358,2359, igr2=2371,2380, &end # # 136 VAL MGX 144 TYR HD 5.50 (# 301:60 Unique 1.95, 4.75 A) &rst ixpk= 301, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2232,2233,2234,2236,2237,2238, igr2=2371,2380, &end # # 0 AMB 60-2:302 144 TYR HD 4.50 (# 302:60 Single Ambig) &rst ixpk= 302, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1=2232,2233,2234,2236,2237,2238,2296,2297, igr2=2371,2380, &end # # 99 TRP HZ2 144 TYR HE 4.50 (# 304:60 Unique 4.44, 6.16 A) &rst ixpk= 304, nxpk= 60, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2373,2378, &end # # 99 TRP HH2 144 TYR HE 4.50 (# 305:60 Unique 2.71, 4.11 A) &rst ixpk= 305, nxpk= 60, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=2373,2378, &end # # 144 TYR HD 144 TYR HE 3.50 (# 307:60 Unique 2.46, 3.69 A) &rst ixpk= 307, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1=2371,2380, igr2=2373,2378, &end # # 136 VAL HA 144 TYR HE 5.50 (# 309:60 Unique 4.99, 7.26 A) &rst ixpk= 309, nxpk= 60, iat=2228, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2373,2378, &end # # 144 TYR HB+ 144 TYR HE 5.50 (# 310:60 Unique 4.61, 5.05 A) &rst ixpk= 310, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2367,2368, igr2=2373,2378, &end # # 144 TYR HA 144 TYR HE 5.50 (# 311:60 Unique 4.30, 4.96 A) &rst ixpk= 311, nxpk= 60, iat=2365, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2373,2378, &end # # 35 PHE HB+ 144 TYR HE 5.50 (# 312:60 Unique 2.92, 6.16 A) &rst ixpk= 312, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 555, 556, igr2=2373,2378, &end # # 136 VAL HB 144 TYR HE 5.50 (# 313:60 Unique 3.18, 5.74 A) &rst ixpk= 313, nxpk= 60, iat=2230, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2373,2378, &end # # 0 AMB 60-2:314 144 TYR HE 5.50 (# 314:60 Single Ambig) &rst ixpk= 314, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2299,2300,2216,2217,2318,2319, igr2=2373,2378, &end # # 0 AMB 60-2:315 144 TYR HE 5.50 (# 315:60 Single Ambig) &rst ixpk= 315, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357, 2358,2359, igr2=2373,2378, &end # # 136 VAL MGX 144 TYR HE 5.50 (# 316:60 Unique 2.14, 5.48 A) &rst ixpk= 316, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2232,2233,2234,2236,2237,2238, igr2=2373,2378, &end # # 136 VAL MGY 144 TYR HE 4.50 (# 317:60 Unique 2.14, 5.48 A) &rst ixpk= 317, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2232,2233,2234,2236,2237,2238, igr2=2373,2378, &end # # 24 TRP HE1 24 TRP HZ2 5.50 (# 318:60 Unique 2.82, 2.82 A) &rst ixpk= 318, nxpk= 60, iat= 366, 369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 24 TRP HH2 24 TRP HZ2 4.50 (# 319:60 Unique 2.46, 2.46 A) &rst ixpk= 319, nxpk= 60, iat= 371, 369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 135 GLN HB+ 24 TRP HZ2 5.50 (# 320:60 Unique 1.99, 3.35 A) &rst ixpk= 320, nxpk= 60, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2213,2214, &end # # 33 TRP HB- 24 TRP HZ2 4.50 (# 321:60 Unique 2.40, 3.59 A) &rst ixpk= 321, nxpk= 60, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 514, 515, &end # # 99 TRP HE1 99 TRP HZ2 5.50 (# 328:60 Unique 2.82, 2.82 A) &rst ixpk= 328, nxpk= 60, iat=1626,1629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 99 TRP HH2 99 TRP HZ2 5.50 (# 329:60 Unique 2.46, 2.46 A) &rst ixpk= 329, nxpk= 60, iat=1631,1629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 144 TYR HE 99 TRP HZ2 5.50 (# 330:60 Unique 4.44, 6.16 A) &rst ixpk= 330, nxpk= 60, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=2373,2378, &end # # 0 AMB 60-2:331 99 TRP HZ2 5.50 (# 331:60 Single Ambig) &rst ixpk= 331, nxpk= 60, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=2371,2380,1624, &end # # 0 AMB 60-2:333 99 TRP HZ2 5.50 (# 333:60 Single Ambig) &rst ixpk= 333, nxpk= 60, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1=2353,2354,2355,2357,2358,2359,2353,2354,2355,2357, 2358,2359, &end # # 99 TRP HZ2 99 TRP HH2 4.50 (# 334:60 Unique 2.46, 2.46 A) &rst ixpk= 334, nxpk= 60, iat=1629,1631, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 0 AMB 60-2:336 99 TRP HH2 5.50 (# 336:60 Single Ambig) &rst ixpk= 336, nxpk= 60, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1589,1590,1635, &end # # 0 AMB 60-2:337 99 TRP HH2 5.50 (# 337:60 Single Ambig) &rst ixpk= 337, nxpk= 60, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2367,2368,2418,2419, &end # # 156 MET HN 129 TYR HE 5.50 (# 338:60 Unique 2.90, 6.01 A) &rst ixpk= 338, nxpk= 60, iat=2575, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=2099,2104, &end # # 148 MET HG+ 129 TYR HE 5.50 (# 339:60 Unique 2.60, 5.63 A) &rst ixpk= 339, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1=2455,2456, igr2=2099,2104, &end # # 0 AMB 60-2:341 129 TYR HE 4.50 (# 341:60 Single Ambig) &rst ixpk= 341, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1=2563,2526,2527,2528, igr2=2099,2104, &end # # 148 MET ME 129 TYR HE 5.50 (# 342:60 Unique 2.18, 5.73 A) &rst ixpk= 342, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1=2459,2460,2461, igr2=2099,2104, &end # # 155 VAL MGY 129 TYR HE 4.50 (# 343:60 Unique 1.95, 4.98 A) &rst ixpk= 343, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31, igr1=2565,2566,2567,2569,2570,2571, igr2=2099,2104, &end # # 22 VAL MGY 129 TYR HE 5.50 (# 344:60 Unique 1.98, 5.96 A) &rst ixpk= 344, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82, igr1= 329, 330, 331, 333, 334, 335, igr2=2099,2104, &end # # 0 AMB 60-2:345 129 TYR HE 5.50 (# 345:60 Single Ambig) &rst ixpk= 345, nxpk= 60, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84, igr1=2549,2550,2551,2553,2554,2555,2612,2613,2614,2616, 2617,2618, igr2=2099,2104, &end # # 111 ILE HB 126 TRP HZ2 4.50 (# 346:60 Unique 3.42, 4.18 A) &rst ixpk= 346, nxpk= 60, iat=1809,2051, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
Contact the webmaster for help, if required. Saturday, May 4, 2024 1:10:34 PM GMT (wattos1)