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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640036 |
6h3e   |
34303 | cing | 1-original | 15 | AMBER | stereochemistry | chirality |
# # chirality for residue 1 atoms: N C HA2 HA3 &rst iat=1,3,5,6, r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10., &end # # chirality for residue 2 atoms: CA OG HB2 HB3 &rst iat=11,15,18,19, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=10,12,17,14, &end # # chirality for residue 3 atoms: CA CG HB2 HB3 &rst iat=22,26,30,31, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=21,23,29,25, &end # # chirality for residue 4 atoms: CA CG HB2 HB3 &rst iat=33,37,45,46, &end # # chirality for residue 4 atoms: N C HA CB &rst iat=32,34,44,36, &end # # chirality for residue 5 atoms: CA CG HB2 HB3 &rst iat=53,57,62,63, &end # # chirality for residue 5 atoms: CB CD1 CD2 HG &rst iat=56,58,59,64, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=52,54,61,56, &end # # chirality for residue 6 atoms: CA OG HB2 HB3 &rst iat=72,76,79,80, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=71,73,78,75, &end # # chirality for residue 7 atoms: CA CG HB2 HB3 &rst iat=83,87,90,91, &end # # chirality for residue 7 atoms: CB CD HG2 HG3 &rst iat=86,88,92,93, &end # # chirality for residue 7 atoms: CG N HD2 HD3 &rst iat=87,82,94,95, &end # # chirality for residue 7 atoms: N C HA CB &rst iat=82,84,89,86, &end # # chirality for residue 8 atoms: CA CG HB2 HB3 &rst iat=97,101,107,108, &end # # chirality for residue 8 atoms: CB CD HG2 HG3 &rst iat=100,102,109,110, &end # # chirality for residue 8 atoms: N C HA CB &rst iat=96,98,106,100, &end # # chirality for residue 9 atoms: CA CG HB2 HB3 &rst iat=112,116,123,124, &end # # chirality for residue 9 atoms: N C HA CB &rst iat=111,113,122,115, &end # # chirality for residue 10 atoms: CA CG HB2 HB3 &rst iat=129,133,139,140, &end # # chirality for residue 10 atoms: CB CD HG2 HG3 &rst iat=132,134,141,142, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=128,130,138,132, &end # # chirality for residue 11 atoms: CA CG HB2 HB3 &rst iat=146,150,158,159, &end # # chirality for residue 11 atoms: CB CD HG2 HG3 &rst iat=149,151,160,161, &end # # chirality for residue 11 atoms: CG NE HD2 HD3 &rst iat=150,152,162,163, &end # # chirality for residue 11 atoms: N C HA CB &rst iat=145,147,157,149, &end # # chirality for residue 12 atoms: CA CG1 CG2 HB &rst iat=170,174,175,178, &end # # chirality for residue 12 atoms: N C HA CB &rst iat=169,171,177,173, &end # # chirality for residue 13 atoms: CA CG HB2 HB3 &rst iat=186,190,196,197, &end # # chirality for residue 13 atoms: CB CD HG2 HG3 &rst iat=189,191,198,199, &end # # chirality for residue 13 atoms: N C HA CB &rst iat=185,187,195,189, &end # # chirality for residue 14 atoms: CA CG HB2 HB3 &rst iat=203,207,213,214, &end # # chirality for residue 14 atoms: CB CD HG2 HG3 &rst iat=206,208,215,216, &end # # chirality for residue 14 atoms: N C HA CB &rst iat=202,204,212,206, &end # # chirality for residue 15 atoms: CA CG HB2 HB3 &rst iat=220,224,232,233, &end # # chirality for residue 15 atoms: CB CD HG2 HG3 &rst iat=223,225,234,235, &end # # chirality for residue 15 atoms: CG NE HD2 HD3 &rst iat=224,226,236,237, &end # # chirality for residue 15 atoms: N C HA CB &rst iat=219,221,231,223, &end # # chirality for residue 16 atoms: CA CG HB2 HB3 &rst iat=244,248,254,255, &end # # chirality for residue 16 atoms: CB CD HG2 HG3 &rst iat=247,249,256,257, &end # # chirality for residue 16 atoms: CD NZ HE2 HE3 &rst iat=249,251,260,261, &end # # chirality for residue 16 atoms: CG CE HD2 HD3 &rst iat=248,250,258,259, &end # # chirality for residue 16 atoms: N C HA CB &rst iat=243,245,253,247, &end # # chirality for residue 17 atoms: CA CG HB2 HB3 &rst iat=266,270,276,277, &end # # chirality for residue 17 atoms: CB CD HG2 HG3 &rst iat=269,271,278,279, &end # # chirality for residue 17 atoms: N C HA CB &rst iat=265,267,275,269, &end # # chirality for residue 18 atoms: CA OG HB2 HB3 &rst iat=281,285,288,289, &end # # chirality for residue 18 atoms: N C HA CB &rst iat=280,282,287,284, &end # # trans-omega constraint for residue 2 &rst iat=11,10,3,2, r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50., &end # # trans-omega constraint for residue 3 &rst iat=22,21,12,11, &end # # trans-omega constraint for residue 4 &rst iat=33,32,23,22, &end # # trans-omega constraint for residue 5 &rst iat=53,52,34,33, &end # # trans-omega constraint for residue 6 &rst iat=72,71,54,53, &end # # trans-omega constraint for residue 7 &rst iat=83,82,73,72, &end # # trans-omega constraint for residue 8 &rst iat=97,96,84,83, &end # # trans-omega constraint for residue 9 &rst iat=112,111,98,97, &end # # trans-omega constraint for residue 10 &rst iat=129,128,113,112, &end # # trans-omega constraint for residue 11 &rst iat=146,145,130,129, &end # # trans-omega constraint for residue 12 &rst iat=170,169,147,146, &end # # trans-omega constraint for residue 13 &rst iat=186,185,171,170, &end # # trans-omega constraint for residue 14 &rst iat=203,202,187,186, &end # # trans-omega constraint for residue 15 &rst iat=220,219,204,203, &end # # trans-omega constraint for residue 16 &rst iat=244,243,221,220, &end # # trans-omega constraint for residue 17 &rst iat=266,265,245,244, &end # # trans-omega constraint for residue 18 &rst iat=281,280,267,266, &end
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