NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
491709 | 2jxz | cing | 1-original | 2 | AMBER | distance | NOE | simple |
# # 1 CYS QB 2 GLY HN 5.3 &rst iat= -1, 14, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1=8,9, rk2=20.0, rk3=20.0, ir6=1, &end # # 1 NCY HA 2 GLY HN 3.0 &rst iat= 6, 14, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, rk2=20.0, rk3=20.0, ir6=1, &end # # 1 NCY QB 7 CYN HA 4.3 &rst iat= -1, 81, r1= 3.30, r2= 3.80, r3= 4.30, r4= 4.80, igr1=8,9, rk2=20.0, rk3=20.0, ir6=1, &end # # # 2 GLY QA 2 GLY HN 4.3 &rst iat= -1, 14, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 16, 17, &end # # 3 ASN QB 3 ASN HN 3.6 &rst iat= -1, 21, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 25, 26, &end # # # 3 ASN HA 4 LEU HN 2.6 &rst iat= 23, 35, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 3 ASN QB 4 LEU HN 2.6 &rst iat= -1, 35, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, igr1= 25, 26, &end # # 3 ASN QB 5 SER HN 3.6 &rst iat= -1, 54, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 25, 26, &end # # 3 ASN HN 4 LEU HN 4.3 &rst iat= 21, 35, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # # 3 ASN HN 7 CYS HN 3.6 &rst iat= 21, 79, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # # 3 ASN QD2 3 ASN QB 2.6 &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, igr1= 30, 31, igr2= 25, 26, &end # # # 4 LEU HA 4 LEU HN 2.9 &rst iat= 37, 35, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 4 LEU HB2 4 LEU HN 2.6 &rst iat= 39, 35, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 4 LEU HB3 4 LEU HN 3.6 &rst iat= 40, 35, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 4 LEU HA 5 SER HN 3.6 &rst iat= 37, 54, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 4 LEU HB3 5 SER HN 2.6 &rst iat= 40, 54, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 4 LEU HB2 5 SER HN 3.6 &rst iat= 39, 54, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 4 LEU QQD 5 SER HN 4.3 &rst iat= -1, 54, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 44, 45, 46, 48, 49, 50, &end # # 4 LEU QQD 8 MET HG2 4.3 &rst iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2= 44, 45, 46, 48, 49, 50, &end # # 4 LEU QQD 8 MET HG3 4.3 &rst iat= 97, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2= 44, 45, 46, 48, 49, 50, &end # # # 4 LEU HA 8 MET HN 4.3 &rst iat= 37, 89, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 4 LEU HB3 6 THR HN 4.8 &rst iat= 40, 65, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 5 SER HN 5 SER HA 2.9 &rst iat= 54, 56, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 5 SER HN 5 SER QB 2.6 &rst iat= 54, -1, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, igr2= 58, 59, &end # # 5 SER HA 6 THR HN 3.6 &rst iat= 56, 65, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 5 SER QB 6 THR HN 3.6 &rst iat= -1, 65, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 58, 59, &end # # 5 SER HA 8 MET HN 3.6 &rst iat= 56, 89, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 5 SER HN 6 THR HN 2.6 &rst iat= 54, 65, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 5 SER HN 7 CYS HN 4.3 &rst iat= 54, 79, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 5 SER HA 8 MET HB3 4.8 &rst iat= 56, 94, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 6 THR HA 6 THR HN 2.9 &rst iat= 67, 65, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 6 THR HN 6 THR HB 2.6 &rst iat= 65, 69, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # # 6 THR HA 7 CYS HN 3.6 &rst iat= 67, 79, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 4 LEU HA 7 CYS HN 3.6 &rst iat= 37, 79, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 6 THR HB 7 CYS HN 2.6 &rst iat= 69, 79, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 6 THR QG2 7 CYS HN 4.3 &rst iat= -1, 79, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 71, 72, 73, &end # # 6 THR QG2 3 ASN QD2 4.8 &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 71, 72, 73, igr2= 30, 31, &end # # # 6 THR HN 7 CYS HN 2.6 &rst iat= 65, 79, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # # 6 THR HA 9 LEU HB3 2.6 &rst iat= 67, 111, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 7 CYS HN 7 CYS HB2 2.6 &rst iat= 79, 83, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 7 CYS HN 7 CYS HB3 3.6 &rst iat= 79, 84, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 7 CYS HA 8 MET HN 3.6 &rst iat= 81, 89, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 7 CYS HB2 8 MET HN 3.6 &rst iat= 83, 89, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 7 CYS HB3 8 MET HN 4.3 &rst iat= 84, 89, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 7 CYS HN 8 MET HN 3.0 &rst iat= 79, 89, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 8 MET HN 8 MET HA 2.9 &rst iat= 89, 91, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 8 MET HN 8 MET HB3 3.6 &rst iat= 89, 94, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 8 MET HN 8 MET HB2 3.0 &rst iat= 89, 93, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 8 MET HA 9 LEU HN 3.6 &rst iat= 91, 106, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 8 MET HA 10 GLY HN 4.8 &rst iat= 91, 125, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # # 8 MET HB2 9 LEU HN 3.6 &rst iat= 93, 106, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 8 MET HB3 9 LEU HN 4.3 &rst iat= 94, 106, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 8 MET HN 9 LEU HN 2.6 &rst iat= 89, 106, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # # 8 MET HA 11 THR HB 2.6 &rst iat= 91, 136, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # # 8 MET HN 11 THR HN 4.8 &rst iat= 89, 132, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 8 MET HG2 9 LEU HN 4.8 &rst iat= 96, 106, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 8 MET HG3 9 LEU HN 5.3 &rst iat= 97, 106, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # # 8 MET HG2 5 SER HN 4.8 &rst iat= 96, 54, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 9 LEU HN 9 LEU HA 2.9 &rst iat= 106, 108, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # # 9 LEU HN 9 LEU HB2 2.6 &rst iat= 106, 110, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 9 LEU HN 9 LEU HB3 2.6 &rst iat= 106, 111, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 9 LEU HN 10 GLY HN 2.6 &rst iat= 106, 125, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 9 LEU HA 10 GLY HN 3.6 &rst iat= 108, 125, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 9 LEU HB3 8 MET HN 4.8 &rst iat= 111, 89, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 9 LEU HB3 10 GLY HN 3.6 &rst iat= 111, 125, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 9 LEU HB2 10 GLY HN 4.3 &rst iat= 110, 125, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 9 LEU QQD 10 GLY HN 4.3 &rst iat= -1, 125, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 115, 116, 117, 119, 120, 121, &end # # 9 LEU HN 10 GLY HN 2.6 &rst iat= 106, 125, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 9 LEU HA 12 LEU HB3 3.6 &rst iat= 108, 151, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # # 9 LEU HA 10 GLY HN 3.6 &rst iat= 108, 125, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 10 GLY HA3 10 GLY HN 2.6 &rst iat= 128, 125, r1= 1.30, r2= 1.80, r3= 2.60, r4= 2.90, &end # # 10 GLY HA2 10 GLY HN 2.9 &rst iat= 127, 125, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 10 GLY HA2 11 THR HN 3.6 &rst iat= 127, 132, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 10 GLY HA3 11 THR HN 2.9 &rst iat= 128, 132, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 10 GLY HA2 9 LEU HN 5.3 &rst iat= 127, 106, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # # 10 GLY HA3 9 LEU HN 4.8 &rst iat= 128, 106, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # # 10 GLY HA3 13 THR HN 4.8 &rst iat= 128, 165, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 10 GLY HA2 13 THR HN 3.6 &rst iat= 127, 165, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 10 GLY HN 11 THR HN 2.6 &rst iat= 125, 132, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 10 GLY HA2 13 THR HB 3.6 &rst iat= 127, 169, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # # 11 THR HN 11 THR HA 2.9 &rst iat= 132, 134, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 11 THR HN 11 THR HB 2.6 &rst iat= 132, 136, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 11 THR HB 12 LEU HN 3.6 &rst iat= 136, 146, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 11 THR HA 12 LEU HN 3.6 &rst iat= 134, 146, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 11 THR HN 12 LEU HN 2.6 &rst iat= 132, 146, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 11 THR HA 14 GLN QB 2.6 &rst iat= 134, -1, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, igr2= 183, 184, &end # # 12 LEU HN 12 LEU HA 2.9 &rst iat= 146, 148, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 12 LEU HN 12 LEU HB2 2.6 &rst iat= 146, 150, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 12 LEU HN 12 LEU HB3 2.6 &rst iat= 146, 151, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 12 LEU HB2 13 THR HN 4.3 &rst iat= 150, 165, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 12 LEU HB3 13 THR HN 3.6 &rst iat= 151, 165, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 12 LEU QQD 13 THR HA 3.6 &rst iat= -1, 167, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 155, 156, 157, 159, 160, 161, &end # # 12 LEU QQD 16 PHE QR 3.6 &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 155, 156, 157, 159, 160, 161, igr2= 216, 218,222,224, &end # # 12 LEU HG 13 THR HN 4.3 &rst iat= 153, 165, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 12 LEU HB2 11 THR HN 5.3 &rst iat= 150, 132, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 12 LEU HB3 11 THR HN 4.8 &rst iat= 151, 132, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # # 12 LEU HN 13 THR HN 3.0 &rst iat= 146, 165, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 12 LEU HN 14 GLN HN 4.3 &rst iat= 146, 179, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 12 LEU HA 15 ASP QB 4.3 &rst iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2= 200, 201, &end # # 12 LEU HA 13 THR HN 3.6 &rst iat= 148, 165, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 13 THR HA 13 THR HN 2.9 &rst iat= 167, 165, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 13 THR HB 13 THR HN 2.9 &rst iat= 169, 165, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 13 THR HA 14 GLN HN 3.6 &rst iat= 167, 179, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 13 THR HB 14 GLN HN 2.6 &rst iat= 169, 179, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 13 THR HA 16 PHE HN 3.6 &rst iat= 167, 208, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 13 THR QG2 14 GLN HN 4.3 &rst iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 171, 172, 173, &end # # 13 THR HN 14 GLN HN 2.6 &rst iat= 165, 179, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 13 THR HN 15 ASP HN 4.3 &rst iat= 165, 196, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 13 THR HN 16 PHE HN 4.8 &rst iat= 165, 208, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 13 THR HA 16 PHE QR 3.6 &rst iat= 167, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 216, 218,222,224, &end # # 13 THR HA 16 PHE QB 4.8 &rst iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 212, 213, &end # # 14 GLN HA 14 GLN HN 2.9 &rst iat= 181, 179, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 14 GLN QB 14 GLN HN 2.6 &rst iat= -1, 179, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, igr1= 183, 184, &end # # 14 GLN HA 15 ASP HN 3.6 &rst iat= 181, 196, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 14 GLN QB 15 ASP HN 3.0 &rst iat= -1, 196, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, igr1= 183, 184, &end # # 14 GLN QG 15 ASP HN 4.3 &rst iat= -1, 196, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 186, 187, &end # # # 14 GLN HA 17 HIS HD2 3.6 &rst iat= 181, 241, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 14 GLN HA 17 HIS QB 2.6 &rst iat= 181, -1, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, igr2= 232, 233, &end # # 14 GLN HN 15 ASP HN 2.9 &rst iat= 179, 196, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 14 GLN QE2 14 GLN HA 4.3 &rst iat= -1, 181, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 191, 192, &end # # 14 GLN QE2 14 GLN QG 2.6 &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, igr1= 191, 192, igr2= 186, 187, &end # # # 15 ASP HA 15 ASP HN 2.9 &rst iat= 198, 196, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 15 ASP HA 18 LYS QZ 3.0 &rst iat= 198, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, igr2= 261,262,263, &end # # # 15 ASP HA 19 PHE HN 4.3 &rst iat= 198, 267, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 15 ASP QB 17 HIS HN 5.3 &rst iat= 228, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2=200, 201, &end # # 15 ASP QB 15 ASP HN 2.9 &rst iat= -1, 196, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, igr1= 200, 201, &end # # 15 ASP HA 16 PHE HN 3.6 &rst iat= 198, 208, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 15 ASP QB 16 PHE HN 3.0 &rst iat= -1, 208, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, igr1= 200, 201, &end # # 15 ASP QB 14 GLN HN 4.8 &rst iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 200, 201, &end # # 15 ASP QB 19 PHE QR 5.3 &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 200, 201, igr2= 275,277,281,283, &end ## # # 15 ASP HN 16 PHE HN 2.6 &rst iat= 196, 208, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 15 ASP HA 18 LYS QB/QD 3.6 &rst iat= 198, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 249, 250,255,256, &end # # 16 PHE HN 18 LYS HN 4.3 &rst iat= 208, 245, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 16 PHE HN 12 LEU QQD 5.5 &rst iat= 208, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2= 155, 156, 157, 159, 160, 161, &end # # 16 PHE HN 12 LEU HG 4.8 &rst iat= 208, 153, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # # 16 PHE HA 16 PHE HN 3.0 &rst iat= 210, 208, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 16 PHE QB 16 PHE HN 2.6 &rst iat= -1, 208, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, igr1= 212, 213, &end # # 16 PHE HA 16 PHE QR 2.9 &rst iat= 210, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, igr2= 216,218,222,224, &end # # 16 PHE QB 16 PHE QR 3.0 &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, igr1= 212, 213, igr2= 216,218,222,224, &end # # 16 PHE QB 15 ASP HN 4.8 &rst iat= -1, 196, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 212, 213, &end # # 16 PHE QR 15 ASP QB 5.3 &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 216, 218, 222, 224, igr2= 200, 201, &end # # # 16 PHE HN 17 HIS HN 3.0 &rst iat= 208, 228, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 16 PHE HN 14 GLN HN 4.3 &rst iat= 208, 179, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 16 PHE HA 19 PHE HB2 2.6 &rst iat= 210, 271, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 16 PHE HA 17 HIS HN 3.6 &rst iat= 210, 228, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 16 PHE QB 17 HIS HN 3.0 &rst iat= -1, 228, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, igr1= 212, 213, &end # # 17 HIS HN 17 HIS HA 2.9 &rst iat= 228, 230, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 17 HIS QB 17 HIS HN 2.6 &rst iat= -1, 228, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, igr1= 232, 233, &end # # 17 HIS QB 18 LYS HN 3.0 &rst iat= -1, 245, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, igr1= 232, 233, &end # # # 17 HIS HA 18 LYS HN 3.6 &rst iat= 230, 245, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # # 17 HIS HA 21 THR HN 4.3 &rst iat= 230, 304, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 17 HIS HD2 18 LYS HN 3.0 &rst iat= 241, 245, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 17 HIS HE1 29 VAL QG 4.8 &rst iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 424,425,426,428,429,430, &end # # # 17 HIS HN 18 LYS HN 2.6 &rst iat= 228, 245, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # # 17 HIS HD2 14 GLN QB 4.8 &rst iat= 241, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 183, 184, &end # # 17 HIS HD2 29 VAL QQG 4.8 &rst iat= 241, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 424, 425, 426, 428, 429, 430, &end # # # 18 LYS HA 18 LYS HN 3.0 &rst iat= 247, 245, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # # 18 LYS HA 20 HIS HN 4.3 &rst iat= 247, 287, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # # 18 LYS QB/QD 18 LYS HN 2.6 &rst iat= -1, 245, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, igr1= 249, 250,255,256, &end # # 18 LYS QB 17 HIS HN 4.8 &rst iat= -1, 228, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 249, 250 &end # # 18 LYS HA 17 HIS HD2 4.8 &rst iat= 247, 241, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 18 LYS QB/QD 17 HIS HD2 4.8 &rst iat= -1, 241, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 249, 250,255,256, &end # # 18 LYS QG 17 HIS HD2 4.3 &rst iat= -1, 241, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 252, 253, &end # # 18 LYS HN 19 PHE HN 3.0 &rst iat= 245, 267, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 18 LYS HA 19 PHE HN 3.6 &rst iat= 247, 267, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 18 LYS QB/QD 19 PHE HN 3.0 &rst iat= -1, 267, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, igr1= 249, 250,255,256, &end # # 19 PHE HA 19 PHE HN 2.9 &rst iat= 269, 267, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end # # 19 PHE HA 19 PHE QR 2.9 &rst iat= 269, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, igr2=275,277,281,283, &end # # 19 PHE HB2 19 PHE QR 3.0 &rst iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, igr2=275, 277,281,283, &end # # 19 PHE HB3 19 PHE QR 3.0 &rst iat= 272, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, igr2=275, 277,281,283, &end # # 19 PHE HB3 19 PHE HN 3.6 &rst iat= 272, 267, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 271, 272, &end # # 19 PHE HB2 19 PHE HN 2.6 &rst iat= 271, 267, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 19 PHE HA 20 HIS HN 3.6 &rst iat= 269, 287, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # ## # 17 HIS HA 20 HIS HD2 4.3 &rst iat= 230, 300, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 19 PHE HN 20 HIS HN 2.6 &rst iat= 267, 287, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 20 HIS HA 20 HIS HN 3.6 &rst iat= 289, 287, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 20 HIS HA 22 PHE HN 4.3 &rst iat= 289, 318, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 20 HIS HB2 20 HIS HN 3.6 &rst iat= 291, 287, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 20 HIS HB3 20 HIS HN 2.6 &rst iat= 292, 287, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 20 HIS HA 21 THR HN 3.6 &rst iat= 289, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # # 20 HIS HB3 21 THR HN 3.6 &rst iat= 292, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 20 HIS HB2 21 THR HN 4.3 &rst iat= 291, 304, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 20 HIS HA 20 HIS HD2 4.3 &rst iat= 289, 300, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # # 20 HIS HN 21 THR HN 2.6 &rst iat= 287, 304, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # # 20 HIS HD2 20 HIS HB3 2.6 &rst iat= 300, 292, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 20 HIS HD2 21 THR HN 3.6 &rst iat= 300, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 20 HIS HD2 21 THR QG2 4.3 &rst iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2= 310, 311, 312, &end # # 21 THR HA 21 THR HN 3.6 &rst iat= 306, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 21 THR HB 21 THR HN 3.6 &rst iat= 308, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 21 THR HA 22 PHE HN 3.6 &rst iat= 306, 318, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 21 THR HB 22 PHE HN 4.3 &rst iat= 308, 318, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 21 THR QG2 22 PHE HN 3.6 &rst iat= -1, 318, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 310, 311, 312, &end # # 21 THR HN 22 PHE HN 2.6 &rst iat= 304, 318, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 21 THR QG2 31 THR HN 4.3 &rst iat= -1, 441, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 310, 311, 312, &end # # 22 PHE HA 22 PHE HN 3.6 &rst iat= 320, 318, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 22 PHE QB 22 PHE HN 3.0 &rst iat= -1, 318, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, igr1=322,323, &end # # # 22 PHE HA 23 PRO QD 2.6 &rst iat= 320, -1, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, igr2 =339, 340, &end # # # 22 PHE QB 23 PRO QD 4.8 &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=322,323, igr2= 339, 340, &end # # # 22 PHE QR 23 PRO QD 3.6 &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 326,328,332, 334, igr2=339,340, &end # # # 22 PHE QB 31 THR HN 4.8 &rst iat= -1, 441, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=322,323, &end # # 23 PRO QB 24 GLN HN 3.6 &rst iat= -1, 352, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 345, 346, &end # # 23 PRO QD 22 PHE HN 4.8 &rst iat= -1, 318, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 339,340, &end # # # 22 PHE QR 32 PRO QB 4.8 &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 326,328,332, 334, igr2= 462, 463, &end # # 22 PHE QR 22 PHE QB 3.0 &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, igr1= 326,328,332, 334, igr2= 322, 323, &end # # 22 PHE QR 22 PHE HA 2.9 &rst iat= -1, 320, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, igr1= 326,328,332, 334, &end # # 23 PRO QD 24 GLN HN 4.8 &rst iat= -1, 352, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 339,340, &end # # # 24 GLN HA 24 GLN HN 3.0 &rst iat= 354, 352, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # # 24 GLN QB 24 GLN HN 2.6 &rst iat= -1, 352, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, igr1 =356,357, &end # # # 24 GLN QB 25 THR HN 4.8 &rst iat= -1, 369, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 356, 357, &end # # # 24 GLN QG 25 THR HN 4.3 &rst iat= -1, 369, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 359, 360, &end # # 24 GLN HN 25 THR HN 2.6 &rst iat= 352, 369, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end # # 24 GLN HA 25 THR HN 3.6 &rst iat= 354, 369, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 24 GLN HN 23 PRO QG 3.6 &rst iat= 352, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 342, 343, &end # # 24 GLN QE2 24 GLN QG 2.6 &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, igr1= 364, 365, igr2= 359, 360, &end # # 24 GLN QE2 24 GLN QB 4.8 &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 364, 365, igr2=356,357, &end # # 25 THR HA/HB 25 THR HN 2.9 &rst iat= -1, 369, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, igr1=371,373, &end # # 25 THR HN 22 PHE QB 4.3 &rst iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2= 322,323, &end # ## # 25 THR HA/HB 24 GLN QE2 3.6 &rst iat= -1, -1 , r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1=371,373, igr2=364,365, &end # # 25 THR QG2 26 ASN HN 3.6 &rst iat= -1, 383, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 375, 376, 377, &end # # 25 THR HN 26 ASN HN 3.6 &rst iat= 369, 383, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 25 THR HA 26 ASN HN 3.6 &rst iat= 371, 383, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 26 ASN HA 26 ASN HN 3.6 &rst iat= 385, 383, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 26 ASN QB 26 ASN HN 4.3 &rst iat= -1, 383, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 387, 388, &end # # # 26 ASN HA 27 THR HN 3.6 &rst iat= 385, 397, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 26 ASN QB 27 THR HN 5.3 &rst iat= -1, 397, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 387, 388, &end # # 26 ASN HN 27 THR HN 4.3 &rst iat= 383, 397, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 26 ASN QD2 26 ASN QB 3.6 &rst iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 392, 393, igr2= 387, 388, &end # # # 27 THR HA/HB 27 THR HN 3.0 &rst iat= -1, 397, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, igr1=399,401, &end # # # 27 THR HA/HB 28 GLY HN 3.6 &rst iat= -1, 411, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1=399,401, &end # # # 27 THR QG2 28 GLY HN 3.6 &rst iat= -1, 411, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 403, 404, 405, &end # # 27 THR HN 28 GLY HN 3.6 &rst iat= 397, 411, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 28 GLY QA 28 GLY HN 2.6 &rst iat= -1, 411, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, igr1= 413, 414, &end # # 28 GLY QA 29 VAL HN 2.6 &rst iat= -1, 418, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, igr1= 413, 414, &end # # 28 GLY HN 29 VAL HN 3.0 &rst iat= 411, 418, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # # 29 VAL HN 29 VAL HA 3.6 &rst iat= 418, 420, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 29 VAL HN 29 VAL HB 3.6 &rst iat= 418, 422, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 29 VAL HA 30 GLY HN 3.6 &rst iat= 420, 434, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 29 VAL HB 30 GLY HN 4.8 &rst iat= 422, 434, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # # 4 LEU QQD 8 MET HN 4.8 &rst iat= -1, 89, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 44,45,46,48,49,50, &end # # 29 VAL HN 30 GLY HN 3.0 &rst iat= 418, 434, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 29 VAL QQG 30 GLY HN 3.6 &rst iat= -1, 434, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 424, 425, 426, 428, 429, 430, &end # # # 30 GLY HN 31 THR HN 3.0 &rst iat= 434, 441, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # # 30 GLY QA 30 GLY HN 3.6 &rst iat= -1, 434, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 436, 437, &end # # 30 GLY QA 31 THR HN 3.6 &rst iat= -1, 441, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr1= 436, 437, &end # # 31 THR HB 31 THR HN 3.6 &rst iat= 445, 441, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
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