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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654309 |
7bwi   |
36345 | cing | 1-original | 1 | AMBER | stereochemistry | chirality |
# Restraints file 1: RST.disang # # chirality for residue 1 atoms: N C HA2 HA3 &rst iat=1,8,6,7, r1=10., r2=60., r3=80., r4=130., rk2=250., rk3=250., &end # # chirality for residue 2 atoms: CA CG2 OG1 HB &rst iat=12,16,20,15, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=10,22,13,14, &end # # chirality for residue 3 atoms: CA CG2 OG1 HB &rst iat=26,30,34,29, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=24,36,27,28, &end # # chirality for residue 4 atoms: CA SG HB2 HB3 &rst iat=40,45,43,44, &end # # chirality for residue 4 atoms: N C HA CB &rst iat=38,46,41,42, &end # # chirality for residue 5 atoms: CA CG HB2 HB3 &rst iat=50,55,53,54, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=48,67,51,52, &end # # chirality for residue 6 atoms: CA SG HB2 HB3 &rst iat=71,76,74,75, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=69,77,72,73, &end # # chirality for residue 7 atoms: N C HA2 HA3 &rst iat=79,84,82,83, &end # # chirality for residue 8 atoms: CA CG HB2 HB3 &rst iat=88,93,91,92, &end # # chirality for residue 8 atoms: CB CD HG2 HG3 &rst iat=90,96,94,95, &end # # chirality for residue 8 atoms: CD NZ HE2 HE3 &rst iat=96,102,100,101, &end # # chirality for residue 8 atoms: CG CE HD2 HD3 &rst iat=93,99,97,98, &end # # chirality for residue 8 atoms: N C HA CB &rst iat=86,106,89,90, &end # # chirality for residue 9 atoms: CA CG2 OG1 HB &rst iat=110,114,118,113, &end # # chirality for residue 9 atoms: N C HA CB &rst iat=108,120,111,112, &end # # chirality for residue 10 atoms: CA CG2 CG1 HB &rst iat=124,128,132,127, &end # # chirality for residue 10 atoms: CB CD1 HG12 HG13 &rst iat=126,135,133,134, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=122,139,125,126, &end # # chirality for residue 11 atoms: N C HA2 HA3 &rst iat=141,146,144,145, &end # # chirality for residue 12 atoms: CA CG2 CG1 HB &rst iat=150,154,158,153, &end # # chirality for residue 12 atoms: CB CD1 HG12 HG13 &rst iat=152,161,159,160, &end # # chirality for residue 12 atoms: N C HA CB &rst iat=148,165,151,152, &end # # chirality for residue 13 atoms: CA CG HB2 HB3 &rst iat=169,174,172,173, &end # # chirality for residue 13 atoms: N C HA CB &rst iat=167,186,170,171, &end # # chirality for residue 14 atoms: CA CG HB2 HB3 &rst iat=190,195,193,194, &end # # chirality for residue 14 atoms: N C HA CB &rst iat=188,210,191,192, &end # # chirality for residue 15 atoms: CA CG HB2 HB3 &rst iat=214,219,217,218, &end # # chirality for residue 15 atoms: N C HA CB &rst iat=212,230,215,216, &end # # chirality for residue 16 atoms: N C HA2 HA3 &rst iat=232,237,235,236, &end # # chirality for residue 17 atoms: CA CG2 OG1 HB &rst iat=241,245,249,244, &end # # chirality for residue 17 atoms: N C HA CB &rst iat=239,251,242,243, &end # # chirality for residue 18 atoms: CA CG HB2 HB3 &rst iat=255,260,258,259, &end # # chirality for residue 18 atoms: CB CD HG2 HG3 &rst iat=257,263,261,262, &end # # chirality for residue 18 atoms: CD NZ HE2 HE3 &rst iat=263,269,267,268, &end # # chirality for residue 18 atoms: CG CE HD2 HD3 &rst iat=260,266,264,265, &end # # chirality for residue 18 atoms: N C HA CB &rst iat=253,273,256,257, &end # # chirality for residue 19 atoms: CA CG2 OG1 HB &rst iat=277,281,285,280, &end # # chirality for residue 19 atoms: N C HA CB &rst iat=275,287,278,279, &end # # chirality for residue 20 atoms: CA SG HB2 HB3 &rst iat=291,296,294,295, &end # # chirality for residue 20 atoms: N C HA CB &rst iat=289,297,292,293, &end # # chirality for residue 21 atoms: CA CG HB2 HB3 &rst iat=309,303,307,308, &end # # chirality for residue 21 atoms: CB CD HG2 HG3 &rst iat=306,300,304,305, &end # # chirality for residue 21 atoms: CG N HD2 HD3 &rst iat=303,299,301,302, &end # # chirality for residue 21 atoms: N C HA CB &rst iat=299,311,310,306, &end # # chirality for residue 22 atoms: CA OG HB2 HB3 &rst iat=315,320,318,319, &end # # chirality for residue 22 atoms: N C HA CB &rst iat=313,322,316,317, &end # # chirality for residue 23 atoms: CA CG HB2 HB3 &rst iat=326,331,329,330, &end # # chirality for residue 23 atoms: N C HA CB &rst iat=324,336,327,328, &end # # chirality for residue 24 atoms: CA CG HB2 HB3 &rst iat=340,345,343,344, &end # # chirality for residue 24 atoms: CB CD HG2 HG3 &rst iat=342,348,346,347, &end # # chirality for residue 24 atoms: CG NE HD2 HD3 &rst iat=345,351,349,350, &end # # chirality for residue 24 atoms: N C HA CB &rst iat=338,360,341,342, &end # # chirality for residue 25 atoms: N C HA2 HA3 &rst iat=362,367,365,366, &end # # chirality for residue 26 atoms: CA CG HB2 HB3 &rst iat=371,376,374,375, &end # # chirality for residue 26 atoms: N C HA CB &rst iat=369,388,372,373, &end # # chirality for residue 27 atoms: CA CG2 OG1 HB &rst iat=392,396,400,395, &end # # chirality for residue 27 atoms: N C HA CB &rst iat=390,402,393,394, &end # # chirality for residue 28 atoms: N C HA2 HA3 &rst iat=404,409,407,408, &end # # chirality for residue 29 atoms: CA OG HB2 HB3 &rst iat=413,418,416,417, &end # # chirality for residue 29 atoms: N C HA CB &rst iat=411,420,414,415, &end # # chirality for residue 30 atoms: CA SG HB2 HB3 &rst iat=424,429,427,428, &end # # chirality for residue 30 atoms: N C HA CB &rst iat=422,430,425,426, &end # # chirality for residue 31 atoms: N C HA2 HA3 &rst iat=432,437,435,436, &end # # chirality for residue 32 atoms: CA CG HB2 HB3 &rst iat=441,446,444,445, &end # # chirality for residue 32 atoms: N C HA CB &rst iat=439,458,442,443, &end # # chirality for residue 33 atoms: CA CG HB2 HB3 &rst iat=462,467,465,466, &end # # chirality for residue 33 atoms: N C HA CB &rst iat=460,478,463,464, &end # # chirality for residue 34 atoms: CA CG HB2 HB3 &rst iat=482,487,485,486, &end # # chirality for residue 34 atoms: CB CD1 CD2 HG &rst iat=484,489,493,488, &end # # chirality for residue 34 atoms: N C HA CB &rst iat=480,497,483,484, &end # # chirality for residue 35 atoms: N C HA2 HA3 &rst iat=499,504,502,503, &end # # chirality for residue 36 atoms: CA CG2 CG1 HB &rst iat=508,512,516,511, &end # # chirality for residue 36 atoms: CB CD1 HG12 HG13 &rst iat=510,519,517,518, &end # # chirality for residue 36 atoms: N C HA CB &rst iat=506,523,509,510, &end # # chirality for residue 37 atoms: CA SG HB2 HB3 &rst iat=527,532,530,531, &end # # chirality for residue 37 atoms: N C HA CB &rst iat=525,533,528,529, &end # # chirality for residue 38 atoms: CA SG HB2 HB3 &rst iat=537,542,540,541, &end # # chirality for residue 38 atoms: N C HA CB &rst iat=535,543,538,539, &end # # chirality for residue 39 atoms: CA CG HB2 HB3 &rst iat=547,552,550,551, &end # # chirality for residue 39 atoms: N C HA CB &rst iat=545,564,548,549, &end # # chirality for residue 40 atoms: CA CG HB2 HB3 &rst iat=576,570,574,575, &end # # chirality for residue 40 atoms: CB CD HG2 HG3 &rst iat=573,567,571,572, &end # # chirality for residue 40 atoms: CG N HD2 HD3 &rst iat=570,566,568,569, &end # # chirality for residue 40 atoms: N C HA CB &rst iat=566,578,577,573, &end # # chirality for residue 41 atoms: CA CG1 CG2 HB &rst iat=582,586,590,585, &end # # chirality for residue 41 atoms: N C HA CB &rst iat=580,594,583,584, &end # # chirality for residue 42 atoms: CA CG HB2 HB3 &rst iat=598,603,601,602, &end # # chirality for residue 42 atoms: N C HA CB &rst iat=596,606,599,600, &end # # trans-omega constraint for residue 2 &rst iat=12,10,8,5, r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50., &end # # trans-omega constraint for residue 3 &rst iat=26,24,22,12, &end # # trans-omega constraint for residue 4 &rst iat=40,38,36,26, &end # # trans-omega constraint for residue 5 &rst iat=50,48,46,40, &end # # trans-omega constraint for residue 6 &rst iat=71,69,67,50, &end # # trans-omega constraint for residue 7 &rst iat=81,79,77,71, &end # # trans-omega constraint for residue 8 &rst iat=88,86,84,81, &end # # trans-omega constraint for residue 9 &rst iat=110,108,106,88, &end # # trans-omega constraint for residue 10 &rst iat=124,122,120,110, &end # # trans-omega constraint for residue 11 &rst iat=143,141,139,124, &end # # trans-omega constraint for residue 12 &rst iat=150,148,146,143, &end # # trans-omega constraint for residue 13 &rst iat=169,167,165,150, &end # # trans-omega constraint for residue 14 &rst iat=190,188,186,169, &end # # trans-omega constraint for residue 15 &rst iat=214,212,210,190, &end # # trans-omega constraint for residue 16 &rst iat=234,232,230,214, &end # # trans-omega constraint for residue 17 &rst iat=241,239,237,234, &end # # trans-omega constraint for residue 18 &rst iat=255,253,251,241, &end # # trans-omega constraint for residue 19 &rst iat=277,275,273,255, &end # # trans-omega constraint for residue 20 &rst iat=291,289,287,277, &end # # trans-omega constraint for residue 21 &rst iat=309,299,297,291, &end # # trans-omega constraint for residue 22 &rst iat=315,313,311,309, &end # # trans-omega constraint for residue 23 &rst iat=326,324,322,315, &end # # trans-omega constraint for residue 24 &rst iat=340,338,336,326, &end # # trans-omega constraint for residue 25 &rst iat=364,362,360,340, &end # # trans-omega constraint for residue 26 &rst iat=371,369,367,364, &end # # trans-omega constraint for residue 27 &rst iat=392,390,388,371, &end # # trans-omega constraint for residue 28 &rst iat=406,404,402,392, &end # # trans-omega constraint for residue 29 &rst iat=413,411,409,406, &end # # trans-omega constraint for residue 30 &rst iat=424,422,420,413, &end # # trans-omega constraint for residue 31 &rst iat=434,432,430,424, &end # # trans-omega constraint for residue 32 &rst iat=441,439,437,434, &end # # trans-omega constraint for residue 33 &rst iat=462,460,458,441, &end # # trans-omega constraint for residue 34 &rst iat=482,480,478,462, &end # # trans-omega constraint for residue 35 &rst iat=501,499,497,482, &end # # trans-omega constraint for residue 36 &rst iat=508,506,504,501, &end # # trans-omega constraint for residue 37 &rst iat=527,525,523,508, &end # # trans-omega constraint for residue 38 &rst iat=537,535,533,527, &end # # trans-omega constraint for residue 39 &rst iat=547,545,543,537, &end # # trans-omega constraint for residue 40 # &rst iat=576,566,564,547, &end # # trans-omega constraint for residue 41 &rst iat=582,580,578,576, &end # # trans-omega constraint for residue 42 &rst iat=598,596,594,582, &end #
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