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 | subsubtype |
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6115 |
1ih9   |
4993 | cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
#Upl restraints, acount for free rotation of some side-chains #some restraints from noe50 peaklist, other from noe100 1 GLY QA 2 TRP HA 5.14 # 1 GLY QA 2 TRP HD1 6.07 # 1 GLY QA 2 TRP HE3 6.38 1 GLY QA 3 ILE HN 5.04 1 GLY QA 4 GLN HN 4.98 1 GLY QA 5 IVA HN 5.73 1 GLY QA 5 IVA QB2 7.40 1 GLY QA 5 IVA QG 7.41 # 1 GLY QA 15 AIB HN 6.19 # 1 GLY QA 15 AIB QB1 7.40 # 1 GLY QA 16 PRO HG3 6.38 2 TRP HN 2 TRP CB 3.14 # 2 TRP HN 2 TRP HB3 3.14 -free rotation # 2 TRP HN 2 TRP QB 2.92 # 2 TRP HN 2 TRP HD1 3.67 2 TRP HN 3 ILE HN 3.14 # 2 TRP HA 2 TRP HB2 2.77 # 2 TRP HA 2 TRP HB3 2.77 # 2 TRP HA 2 TRP HD1 3.89 # 2 TRP HA 2 TRP HE3 3.27 2 TRP HA 5 IVA HN 3.64 2 TRP HA 5 IVA QB2 4.17 # 2 TRP HB2 2 TRP HD1 3.55 # 2 TRP HB2 2 TRP HE3 3.67 2 TRP HB2 3 ILE HN 3.95 # 2 TRP HB3 2 TRP HD1 3.55 # 2 TRP HB3 2 TRP HE3 3.67 2 TRP HB3 3 ILE HN 3.95 # 2 TRP QB 2 TRP HD1 3.37 # 2 TRP QB 2 TRP HE3 3.44 2 TRP CB 3 ILE HN 3.68 # 2 TRP CB 6 ILE QD1 7.37 # 2 TRP HD1 5 IVA QB2 6.53 # 2 TRP HE3 3 ILE HA 5.50 # 2 TRP HE3 5 IVA QB2 5.07 # 2 TRP HE3 6 ILE QG2 6.25 # 2 TRP HE3 6 ILE QD1 5.13 # 2 TRP HZ3 6 ILE QD1 6.53 # 3 ILE HN 3 ILE HB 2.71 # 3 ILE HN 3 ILE QG2 4.85 # 3 ILE HN 3 ILE HG12 4.01 # 3 ILE HN 3 ILE HG13 4.01 # 3 ILE HN 3 ILE QG1 3.73 3 ILE HN 4 GLN HN 3.08 # 3 ILE HA 3 ILE HB 2.77 # 3 ILE HA 3 ILE QG2 3.64 # 3 ILE HA 3 ILE QG1 3.74 3 ILE HA 5 IVA HN 4.20 3 ILE HA 6 ILE HN 3.73 3 ILE HA 6 ILE HB 3.05 # 3 ILE HA 6 ILE QG2 4.39 # 3 ILE HA 6 ILE QD1 5.13 # 3 ILE HB 4 GLN HN 3.11 # 3 ILE QG2 4 GLN HN 4.79 # 3 ILE QG2 4 GLN HA 5.23 4 GLN HN 4 GLN CB 3.02 # - free rotation # 4 GLN HN 4 GLN HB3 3.02 # 4 GLN HN 4 GLN QB 2.75 # 4 GLN HN 4 GLN QG 6.00 4 GLN HN 5 IVA HN 3.02 4 GLN HN 5 IVA QB2 6.53 # 4 GLN HA 4 GLN HB2 2.68 # 4 GLN HA 4 GLN HB3 2.68 4 GLN HA 7 THR HN 3.55 # 4 GLN HA 7 THR HB 2.77 # 4 GLN HA 7 THR QG2 5.38 4 GLN HA 8 AIB HN 4.07 # 4 GLN HA 14 HYP HB3 4.04 4 GLN CB 5 IVA HN 3.21 #free rotation # 4 GLN HB2 5 IVA QG 6.23 4 GLN CB 8 AIB HN 5.34 #free rotation # 4 GLN HB2 15 AIB HN 4.63 # 4 GLN HB3 5 IVA HN 3.21 4 GLN CB 5 IVA QG 6.23 #free rotation # 4 GLN HB3 8 AIB HN 5.34 # 4 GLN HB3 15 AIB HN 4.63 # 4 GLN QB 5 IVA HN 3.02 # 4 GLN QB 5 IVA QG 5.63 # 4 GLN QB 8 AIB HN 5.01 # 4 GLN QG 5 IVA QG 6.92 # 4 GLN QG 14 HYP HD22 6.38 # 4 GLN QG 15 AIB HN 6.38 5 IVA HN 5 IVA HB12 4.07 5 IVA HN 5 IVA QG 4.77 5 IVA HN 6 ILE HN 3.14 5 IVA QB2 6 ILE HN 4.42 # 5 IVA QB2 6 ILE QD1 7.56 5 IVA HB12 8 AIB HN 4.07 5 IVA HB12 8 AIB QB1 4.02 5 IVA HB13 8 AIB HN 4.76 # 5 IVA HB13 12 GLN HN 5.50 5 IVA QG 6 ILE HN 6.54 5 IVA QG 8 AIB HN 6.54 # 6 ILE HN 6 ILE HB 2.65 # 6 ILE HN 6 ILE HG12 4.17 # 6 ILE HN 6 ILE HG13 4.17 # 6 ILE HN 6 ILE QG1 3.74 # 6 ILE HN 6 ILE QD1 6.16 6 ILE HN 7 THR HN 3.14 # 6 ILE HA 6 ILE HB 2.93 # 6 ILE HA 6 ILE QG2 3.74 # 6 ILE HA 6 ILE QG1 3.63 # 6 ILE HA 6 ILE QD1 4.48 6 ILE HA 9 LEU HN 3.64 6 ILE HA 9 LEU QD1 5.04 # 6 ILE HB 7 THR HN 3.14 # 6 ILE QG2 7 THR HN 5.41 # 6 ILE QG2 7 THR QG2 7.56 # 6 ILE QG2 10 AIB QB1 7.56 # 6 ILE QG2 10 AIB QB2 7.56 # 7 THR HN 7 THR HB 3.05 7 THR HN 8 AIB HN 3.08 # 7 THR HA 7 THR HB 2.83 # 7 THR HA 7 THR QG2 3.58 7 THR HA 8 AIB HN 3.55 7 THR HA 9 LEU HN 4.29 7 THR HA 10 AIB QB1 5.04 7 THR HB 8 AIB HN 3.21 # 7 THR QG2 8 AIB HN 6.22 # 7 THR QG2 8 AIB QB1 7.56 # 7 THR QG2 8 AIB QB2 7.56 # 7 THR QG2 9 LEU HA 6.53 # 7 THR QG2 10 AIB QB1 7.56 8 AIB HN 9 LEU HN 2.99 8 AIB QB1 9 LEU HN 4.02 8 AIB QB1 9 LEU HA 6.53 8 AIB QB1 9 LEU QD1 7.56 8 AIB QB1 9 LEU QD2 7.56 8 AIB QB2 11 HYP HD22 6.53 8 AIB QB2 11 HYP HD23 4.98 9 LEU HN 9 LEU HG 2.99 9 LEU HN 9 LEU QD1 6.53 9 LEU HN 9 LEU QD2 6.53 9 LEU HN 10 AIB HN 2.90 9 LEU HA 9 LEU HG 3.61 9 LEU HA 9 LEU QD1 6.53 9 LEU HA 9 LEU QD2 6.53 9 LEU HA 12 GLN HN 4.79 9 LEU HA 12 GLN QB 6.10 9 LEU HA 12 GLN HG3 4.23 # 9 LEU HA 12 GLN HE21 4.48 # 9 LEU HB2 12 GLN HE21 4.00 #+0.14 sp dif # 9 LEU HB3 12 GLN HE21 3.52 9 LEU HB2 10 AIB HN 3.92 #? # 9 LEU HG 12 GLN HE21 4.79 9 LEU QD2 12 GLN HG3 5.81 # 9 LEU QD2 12 GLN HE21 5.75 10 AIB HN 10 AIB QB1 3.49 10 AIB HN 11 HYP HD22 4.72 10 AIB HN 11 HYP HD23 4.76 10 AIB QB1 11 HYP HD22 4.26 10 AIB QB1 11 HYP HD23 3.77 10 AIB QB1 12 GLN HN 6.53 10 AIB QB1 13 AIB HN 6.53 10 AIB QB2 12 GLN HN 5.54 10 AIB QB2 13 AIB HN 5.88 # 11 HYP HB2 12 GLN HN 3.39 -bad line shape 11 HYP HD23 12 GLN HN 5.50 12 GLN HN 13 AIB HN 2.59 12 GLN HN 13 AIB QB1 5.54 12 GLN HN 13 AIB QB2 5.81 12 GLN HN 14 HYP HD22 3.98 12 GLN HN 14 HYP HD23 5.50 12 GLN HA 13 AIB HN 3.48 12 GLN HA 14 HYP HD22 4.20 12 GLN HA 14 HYP HD23 5.27 #+0.2 spin diffusion 12 GLN HA 15 AIB HN 4.11 12 GLN HA 15 AIB QB1 5.72 12 GLN QB 15 AIB HN 5.79 12 GLN HG2 13 AIB HN 5.50 12 GLN HG2 15 AIB HN 5.50 #? 12 GLN HG2 15 AIB QB1 4.36 12 GLN HG3 13 AIB HN 5.50 # 12 GLN HG3 15 AIB QB1 4.76 -spin diffusion 13 AIB HN 13 AIB QB1 3.58 13 AIB HN 14 HYP HD22 3.86 13 AIB HN 14 HYP HD23 3.33 13 AIB QB1 14 HYP HG 6.53 13 AIB QB1 14 HYP HD22 4.05 13 AIB QB1 14 HYP HD23 3.64 13 AIB QB1 17 PHE QD 8.65 13 AIB QB2 15 AIB HN 6.53 14 HYP HB2 15 AIB HN 3.42 14 HYP HD22 15 AIB HN 3.67 14 HYP HD22 15 AIB QB1 6.53 14 HYP HD23 15 AIB HN 5.50 15 AIB HN 15 AIB QB1 3.43 15 AIB HN 16 PRO HD2 3.08 15 AIB HN 16 PRO HD3 3.05 15 AIB QB1 16 PRO HA 5.35 15 AIB QB1 16 PRO HD2 4.20 15 AIB QB1 16 PRO HD3 3.61 15 AIB QB1 17 PHE QD 8.65 15 AIB QB2 17 PHE HN 5.13 16 PRO HA 17 PHE HN 3.45 16 PRO HB2 17 PHE HN 3.58 16 PRO HB2 17 PHE HA 5.50 16 PRO HB2 17 PHE QD 7.62 16 PRO HB2 17 PHE QE 7.62 16 PRO HB3 17 PHE QD 7.62 16 PRO HB3 17 PHE QE 7.62 16 PRO HG2 17 PHE QD 7.62 16 PRO HG2 17 PHE QE 7.62 16 PRO HG3 17 PHE HN 5.50 16 PRO HG3 17 PHE QD 7.62 16 PRO HG3 17 PHE QE 7.06 16 PRO HD2 17 PHE HN 3.55 16 PRO HD2 17 PHE QD 6.35 16 PRO HD2 17 PHE QE 7.47 16 PRO HD3 17 PHE QE 7.62 #from 50 17 PHE HN 17 PHE HB2 2.65 # peak 97 new calibration 17 PHE HN 17 PHE HB3 3.98 # peak 98 17 PHE HA 17 PHE HB2 3.17 # peak 160 17 PHE HA 17 PHE HB3 2.49 # peak 161 # 17 PHE HN 17 PHE HB2 2.52 #from 50 old calibration # 17 PHE HN 17 PHE HB3 3.79 # 17 PHE HA 17 PHE HB2 3.05 # 17 PHE HA 17 PHE HB3 2.50 #+0.1 #from 50 12 GLN HN 12 GLN QB 3.65 # 12 GLN HN 12 GLN HG2 3.73 - spin diffusion 12 GLN HN 12 GLN HG3 2.77 12 GLN HA 12 GLN HG2 2.62 # 12 GLN HA 12 GLN HG3 2.90 - spin diffusion #from 50 9 LEU HN 9 LEU HB2 2.46 # peak 416 9 LEU HA 9 LEU HB2 3.05 # peak 209 9 LEU HA 9 LEU HB3 2.59 # peak 208
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