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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594185 |
2n2f   |
25597 | cing | 1-original | 2 | 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: N C HA CB &rst iat=1,22,6,7, &end # # chirality for residue 2 atoms: N C HA2 HA3 &rst iat=24,29,27,28, &end # # chirality for residue 3 atoms: N C HA2 HA3 &rst iat=31,36,34,35, &end # # chirality for residue 4 atoms: CA CG HB2 HB3 &rst iat=40,45,43,44, &end # # chirality for residue 4 atoms: N C HA CB &rst iat=38,56,41,42, &end # # chirality for residue 5 atoms: CA CG HB2 HB3 &rst iat=60,65,63,64, &end # # chirality for residue 5 atoms: CB CD1 CD2 HG &rst iat=62,67,71,66, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=58,75,61,62, &end # # chirality for residue 6 atoms: CA CG HB2 HB3 &rst iat=79,84,82,83, &end # # chirality for residue 6 atoms: CB CD HG2 HG3 &rst iat=81,87,85,86, &end # # chirality for residue 6 atoms: CG NE HD2 HD3 &rst iat=84,90,88,89, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=77,99,80,81, &end # # chirality for residue 7 atoms: CA CG HB2 HB3 &rst iat=103,108,106,107, &end # # chirality for residue 7 atoms: CB CD HG2 HG3 &rst iat=105,111,109,110, &end # # chirality for residue 7 atoms: CG NE HD2 HD3 &rst iat=108,114,112,113, &end # # chirality for residue 7 atoms: N C HA CB &rst iat=101,123,104,105, &end # # chirality for residue 8 atoms: CA CG2 CG1 HB &rst iat=127,131,135,130, &end # # chirality for residue 8 atoms: CB CD1 HG12 HG13 &rst iat=129,138,136,137, &end # # chirality for residue 8 atoms: N C HA CB &rst iat=125,142,128,129, &end # # chirality for residue 9 atoms: CA CG HB2 HB3 &rst iat=146,151,149,150, &end # # chirality for residue 9 atoms: CB CD HG2 HG3 &rst iat=148,154,152,153, &end # # chirality for residue 9 atoms: CG NE HD2 HD3 &rst iat=151,157,155,156, &end # # chirality for residue 9 atoms: N C HA CB &rst iat=144,166,147,148, &end # # chirality for residue 10 atoms: CA CG HB2 HB3 &rst iat=178,172,176,177, &end # # chirality for residue 10 atoms: CB CD HG2 HG3 &rst iat=175,169,173,174, &end # # chirality for residue 10 atoms: CG N HD2 HD3 &rst iat=172,168,170,171, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=168,180,179,175, &end # # chirality for residue 11 atoms: CA CG HB2 HB3 &rst iat=184,189,187,188, &end # # chirality for residue 11 atoms: CB CD HG2 HG3 &rst iat=186,192,190,191, &end # # chirality for residue 11 atoms: CD NZ HE2 HE3 &rst iat=192,198,196,197, &end # # chirality for residue 11 atoms: CG CE HD2 HD3 &rst iat=189,195,193,194, &end # # chirality for residue 11 atoms: N C HA CB &rst iat=182,202,185,186, &end # # chirality for residue 12 atoms: CA CG HB2 HB3 &rst iat=206,211,209,210, &end # # chirality for residue 12 atoms: CB CD1 CD2 HG &rst iat=208,213,217,212, &end # # chirality for residue 12 atoms: N C HA CB &rst iat=204,221,207,208, &end # # chirality for residue 13 atoms: CA CG HB2 HB3 &rst iat=225,230,228,229, &end # # chirality for residue 13 atoms: CB CD HG2 HG3 &rst iat=227,233,231,232, &end # # chirality for residue 13 atoms: CD NZ HE2 HE3 &rst iat=233,239,237,238, &end # # chirality for residue 13 atoms: CG CE HD2 HD3 &rst iat=230,236,234,235, &end # # chirality for residue 13 atoms: N C HA CB &rst iat=223,243,226,227, &end # # trans-omega constraint for residue 2 &rst iat=26,24,22,5, r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50., &end # # trans-omega constraint for residue 3 &rst iat=33,31,29,26, &end # # trans-omega constraint for residue 4 &rst iat=40,38,36,33, &end # # trans-omega constraint for residue 5 &rst iat=60,58,56,40, &end # # trans-omega constraint for residue 6 &rst iat=79,77,75,60, &end # # trans-omega constraint for residue 7 &rst iat=103,101,99,79, &end # # trans-omega constraint for residue 8 &rst iat=127,125,123,103, &end # # trans-omega constraint for residue 9 &rst iat=146,144,142,127, &end # # trans-omega constraint for residue 10 &rst iat=178,168,166,146, &end # # trans-omega constraint for residue 11 &rst iat=184,182,180,178, &end # # trans-omega constraint for residue 12 &rst iat=206,204,202,184, &end # # trans-omega constraint for residue 13 &rst iat=225,223,221,206, &end
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