NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype |
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635908 |
6qan   |
34339 | cing | 1-original | 3 | AMBER | stereochemistry | chirality |
# chirality for residue 1 atoms: CA CG HB2 HB3 &rst iat=5,10,8,9, r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10., &end # # chirality for residue 1 atoms: CB CD HG2 HG3 &rst iat=7,13,11,12, &end # # chirality for residue 1 atoms: CG NE HD2 HD3 &rst iat=10,16,14,15, &end # # chirality for residue 1 atoms: N C HA CB &rst iat=1,25,6,7, &end # # chirality for residue 2 atoms: CA CG HB2 HB3 &rst iat=29,34,32,33, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=27,37,30,31, &end # # chirality for residue 3 atoms: CA CG HB2 HB3 &rst iat=49,43,47,48, &end # # chirality for residue 3 atoms: CB CD HG2 HG3 &rst iat=46,40,44,45, &end # # chirality for residue 3 atoms: CG N HD2 HD3 &rst iat=43,39,41,42, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=39,51,50,46, &end # # chirality for residue 4 atoms: CA CG HB2 HB3 &rst iat=55,60,58,59, &end # # chirality for residue 4 atoms: CB CD1 CD2 HG &rst iat=57,62,66,61, &end # # chirality for residue 4 atoms: N C HA CB &rst iat=53,70,56,57, &end # # chirality for residue 5 atoms: CA CG HB2 HB3 &rst iat=74,79,77,78, &end # # chirality for residue 5 atoms: CB CD1 CD2 HG &rst iat=76,81,85,80, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=72,89,75,76, &end # # chirality for residue 6 atoms: CA CG HB2 HB3 &rst iat=93,98,96,97, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=91,101,94,95, &end # # chirality for residue 7 atoms: N C HA CB &rst iat=103,111,106,107, &end # # chirality for residue 9 atoms: CA CG HB2 HB3 &rst iat=134,139,137,138, &end # # chirality for residue 9 atoms: CB CD HG2 HG3 &rst iat=136,142,140,141, &end # # chirality for residue 9 atoms: CG NE HD2 HD3 &rst iat=139,145,143,144, &end # # chirality for residue 9 atoms: N C HA CB &rst iat=132,154,135,136, &end # # chirality for residue 10 atoms: CA CG HB2 HB3 &rst iat=158,163,161,162, &end # # chirality for residue 10 atoms: CB CD HG2 HG3 &rst iat=160,166,164,165, &end # # chirality for residue 10 atoms: CG NE HD2 HD3 &rst iat=163,169,167,168, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=156,178,159,160, &end # # chirality for residue 11 atoms: CA CG HB2 HB3 &rst iat=182,187,185,186, &end # # chirality for residue 11 atoms: CB CD HG2 HG3 &rst iat=184,190,188,189, &end # # chirality for residue 11 atoms: N C HA CB &rst iat=180,193,183,184, &end # # chirality for residue 12 atoms: N C HA2 HA3 &rst iat=195,200,198,199, &end # # chirality for residue 13 atoms: N C HA CB &rst iat=202,210,205,206, &end # # chirality for residue 15 atoms: CA CG HB2 HB3 &rst iat=233,238,236,237, &end # # chirality for residue 15 atoms: N C HA CB &rst iat=231,241,234,235, &end # # chirality for residue 16 atoms: CA CG HB2 HB3 &rst iat=245,250,248,249, &end # # chirality for residue 16 atoms: N C HA CB &rst iat=243,261,246,247, &end # # chirality for residue 17 atoms: CA CG HB2 HB3 &rst iat=265,270,268,269, &end # # chirality for residue 17 atoms: N C HA CB &rst iat=263,285,266,267, &end # # chirality for residue 18 atoms: CA OG HB2 HB3 &rst iat=289,294,292,293, &end # # chirality for residue 18 atoms: N C HA CB &rst iat=287,296,290,291, &end # # chirality for residue 19 atoms: N C HA CB &rst iat=298,306,301,302, &end # # chirality for residue 20 atoms: N C HA2 HA3 &rst iat=308,313,311,312, &end # # chirality for residue 22 atoms: CA CG HB2 HB3 &rst iat=330,335,333,334, &end # # chirality for residue 22 atoms: N C HA CB &rst iat=328,347,331,332, &end # # chirality for residue 23 atoms: N C HA CB &rst iat=349,357,352,353, &end # # chirality for residue 24 atoms: CA CG HB2 HB3 &rst iat=361,366,364,365, &end # # chirality for residue 24 atoms: CB CD HG2 HG3 &rst iat=363,369,367,368, &end # # chirality for residue 24 atoms: CG NE HD2 HD3 &rst iat=366,372,370,371, &end # # chirality for residue 24 atoms: N C HA CB &rst iat=359,381,362,363, &end # # chirality for residue 25 atoms: N C HA2 HA3 &rst iat=383,388,386,387, &end # # chirality for residue 26 atoms: CA CG1 CG2 HB &rst iat=392,396,400,395, &end # # chirality for residue 26 atoms: N C HA CB &rst iat=390,404,393,394, &end # # chirality for residue 27 atoms: CA CG HB2 HB3 &rst iat=416,410,414,415, &end # # chirality for residue 27 atoms: CB CD HG2 HG3 &rst iat=413,407,411,412, &end # # chirality for residue 27 atoms: CG N HD2 HD3 &rst iat=410,406,408,409, &end # # chirality for residue 27 atoms: N C HA CB &rst iat=406,418,417,413, &end # # chirality for residue 28 atoms: CA CG HB2 HB3 &rst iat=422,427,425,426, &end # # chirality for residue 28 atoms: CB CD1 CD2 HG &rst iat=424,429,433,428, &end # # chirality for residue 28 atoms: N C HA CB &rst iat=420,437,423,424, &end # # chirality for residue 29 atoms: CA OG HB2 HB3 &rst iat=441,446,444,445, &end # # chirality for residue 29 atoms: N C HA CB &rst iat=439,448,442,443, &end # # chirality for residue 30 atoms: CA CG HB2 HB3 &rst iat=452,457,455,456, &end # # chirality for residue 30 atoms: CB CD HG2 HG3 &rst iat=454,460,458,459, &end # # chirality for residue 30 atoms: N C HA CB &rst iat=450,463,453,454, &end # # chirality for residue 31 atoms: CA CG HB2 HB3 &rst iat=475,469,473,474, &end # # chirality for residue 31 atoms: CB CD HG2 HG3 &rst iat=472,466,470,471, &end # # chirality for residue 31 atoms: CG N HD2 HD3 &rst iat=469,465,467,468, &end # # chirality for residue 31 atoms: N C HA CB &rst iat=465,477,476,472, &end # # chirality for residue 32 atoms: CA CG HB2 HB3 &rst iat=489,483,487,488, &end # # chirality for residue 32 atoms: CB CD HG2 HG3 &rst iat=486,480,484,485, &end # # chirality for residue 32 atoms: CG N HD2 HD3 &rst iat=483,479,481,482, &end # # chirality for residue 32 atoms: N C HA CB &rst iat=479,491,490,486, &end # # chirality for residue 33 atoms: CA CG HB2 HB3 &rst iat=495,500,498,499, &end # # chirality for residue 33 atoms: CB CD HG2 HG3 &rst iat=497,503,501,502, &end # # chirality for residue 33 atoms: N C HA CB &rst iat=493,508,496,497, &end # # chirality for residue 34 atoms: N C HA CB &rst iat=510,518,513,514, &end # # chirality for residue 35 atoms: CA CG HB2 HB3 &rst iat=522,527,525,526, &end # # chirality for residue 35 atoms: CB CD1 CD2 HG &rst iat=524,529,533,528, &end # # chirality for residue 35 atoms: N C HA CB &rst iat=520,537,523,524, &end # # trans-omega constraint for residue 2 &rst iat=29,27,25,5, r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50., &end # # trans-omega constraint for residue 3 &rst iat=49,39,37,29, &end # # trans-omega constraint for residue 4 &rst iat=55,53,51,49, &end # # trans-omega constraint for residue 5 &rst iat=74,72,70,55, &end # # trans-omega constraint for residue 6 &rst iat=93,91,89,74, &end # # trans-omega constraint for residue 7 &rst iat=105,103,101,93, &end # # trans-omega constraint for residue 8 &rst iat=115,113,111,105, &end # # trans-omega constraint for residue 9 &rst iat=134,132,130,115, &end # # trans-omega constraint for residue 10 &rst iat=158,156,154,134, &end # # trans-omega constraint for residue 11 &rst iat=182,180,178,158, &end # # trans-omega constraint for residue 12 &rst iat=197,195,193,182, &end # # trans-omega constraint for residue 13 &rst iat=204,202,200,197, &end # # trans-omega constraint for residue 14 &rst iat=214,212,210,204, &end # # trans-omega constraint for residue 15 &rst iat=233,231,229,214, &end # # trans-omega constraint for residue 16 &rst iat=245,243,241,233, &end # # trans-omega constraint for residue 17 &rst iat=265,263,261,245, &end # # trans-omega constraint for residue 18 &rst iat=289,287,285,265, &end # # trans-omega constraint for residue 19 &rst iat=300,298,296,289, &end # # trans-omega constraint for residue 20 &rst iat=310,308,306,300, &end # # trans-omega constraint for residue 21 &rst iat=317,315,313,310, &end # # trans-omega constraint for residue 22 &rst iat=330,328,326,317, &end # # trans-omega constraint for residue 23 &rst iat=351,349,347,330, &end # # trans-omega constraint for residue 24 &rst iat=361,359,357,351, &end # # trans-omega constraint for residue 25 &rst iat=385,383,381,361, &end # # trans-omega constraint for residue 26 &rst iat=392,390,388,385, &end # # trans-omega constraint for residue 27 &rst iat=416,406,404,392, &end # # trans-omega constraint for residue 28 &rst iat=422,420,418,416, &end # # trans-omega constraint for residue 29 &rst iat=441,439,437,422, &end # # trans-omega constraint for residue 30 &rst iat=452,450,448,441, &end # # trans-omega constraint for residue 31 &rst iat=475,465,463,452, &end # # trans-omega constraint for residue 32 &rst iat=489,479,477,475, &end # # trans-omega constraint for residue 33 &rst iat=495,493,491,489, &end # # trans-omega constraint for residue 34 &rst iat=512,510,508,495, &end # # trans-omega constraint for residue 35 &rst iat=522,520,518,512, &end
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