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 |
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617601 |
5mww   |
34089 | cing | 1-original | 3 | XPLOR/CNS | dipolar coupling |
# Restraints file 3: rdcs.tbl ! created by dconv 0.8.7, FreeBSD/amd64 port ! ! ISAC (XPLOR/CNS) format ! duplicit data were not removed ! data were normalized to N LYS3 HN LYS3 (C1=21593.5, r1=1.041) ! data errors were normalized too ! C1 constants were multiplied and alignment tensor divided by 1 ! data were not weighted by their respective errors ! reference structure: /scratch/zachrdla/SigA_1.1_structure/CNS/PRIDANI_J-coupling_do_cns/POKUS4/final_sigA1.1/str/wt/lowest20_siga_cns_w_.pdb,1 ! alignment tensor was calculated from active data and structure ! by LLS SVD fit, optimized parameters: 5 out of 6 ! best alignment tensor for reference structure: ! Sxx,Sxy,Sxz,Syy,Syz,Szz: 3.664e-04,1.745e-04,9.187e-05,-2.245e-04,-1.986e-05,-1.419e-04 ! alpha,beta,gamma,Da,R,Diso: 161.921,81.6137,165.244,4.6038,0.228215,0 ! ! 214 RDCs (including 0 passive data) assign (resid 11 and name N ) (resid 11 and name HN ) -4.081 0.158 assign (resid 12 and name N ) (resid 12 and name HN ) 1.370 0.171 assign (resid 13 and name N ) (resid 13 and name HN ) 5.133 0.188 assign (resid 14 and name N ) (resid 14 and name HN ) 2.230 0.134 assign (resid 15 and name N ) (resid 15 and name HN ) -1.200 0.077 assign (resid 16 and name N ) (resid 16 and name HN ) -0.010 0.118 assign (resid 18 and name N ) (resid 18 and name HN ) 1.340 0.071 assign (resid 19 and name N ) (resid 19 and name HN ) 1.400 0.132 assign (resid 20 and name N ) (resid 20 and name HN ) 5.430 0.349 assign (resid 21 and name N ) (resid 21 and name HN ) 8.290 0.148 assign (resid 22 and name N ) (resid 22 and name HN ) 2.373 0.096 assign (resid 23 and name N ) (resid 23 and name HN ) 3.412 0.178 assign (resid 24 and name N ) (resid 24 and name HN ) 8.360 0.160 assign (resid 25 and name N ) (resid 25 and name HN ) 5.590 0.162 assign (resid 26 and name N ) (resid 26 and name HN ) 2.442 0.165 assign (resid 34 and name N ) (resid 34 and name HN ) 9.070 0.176 assign (resid 36 and name N ) (resid 36 and name HN ) 5.770 0.089 assign (resid 37 and name N ) (resid 37 and name HN ) 7.070 0.121 assign (resid 51 and name N ) (resid 51 and name HN ) -2.970 0.159 assign (resid 52 and name N ) (resid 52 and name HN ) -3.590 0.225 assign (resid 53 and name N ) (resid 53 and name HN ) -1.300 0.087 assign (resid 54 and name N ) (resid 54 and name HN ) -0.480 0.112 assign (resid 55 and name N ) (resid 55 and name HN ) -2.660 0.295 assign (resid 56 and name N ) (resid 56 and name HN ) -2.743 0.160 assign (resid 57 and name N ) (resid 57 and name HN ) 0.670 0.182 assign (resid 58 and name N ) (resid 58 and name HN ) -2.570 0.273 assign (resid 12 and name C ) (resid 12 and name CA ) 10.734 2.328 assign (resid 14 and name C ) (resid 14 and name CA ) 10.785 3.164 assign (resid 15 and name C ) (resid 15 and name CA ) 2.167 2.502 assign (resid 16 and name C ) (resid 16 and name CA ) -3.225 2.971 assign (resid 17 and name C ) (resid 17 and name CA ) 1.058 2.422 assign (resid 18 and name C ) (resid 18 and name CA ) 25.853 2.936 assign (resid 19 and name C ) (resid 19 and name CA ) 3.225 2.779 assign (resid 21 and name C ) (resid 21 and name CA ) 1.008 2.476 assign (resid 23 and name C ) (resid 23 and name CA ) 1.109 2.946 assign (resid 25 and name C ) (resid 25 and name CA ) 3.225 1.980 assign (resid 26 and name C ) (resid 26 and name CA ) 12.901 1.381 assign (resid 34 and name C ) (resid 34 and name CA ) 3.276 2.039 assign (resid 35 and name C ) (resid 35 and name CA ) 5.392 2.420 assign (resid 36 and name C ) (resid 36 and name CA ) 6.501 2.532 assign (resid 38 and name C ) (resid 38 and name CA ) -3.276 1.905 assign (resid 51 and name C ) (resid 51 and name CA ) 20.461 3.144 assign (resid 52 and name C ) (resid 52 and name CA ) 2.167 2.679 assign (resid 54 and name C ) (resid 54 and name CA ) -5.342 3.070 assign (resid 55 and name C ) (resid 55 and name CA ) -5.392 4.013 assign (resid 56 and name C ) (resid 56 and name CA ) -16.177 4.757 assign (resid 57 and name C ) (resid 57 and name CA ) -10.734 2.328 assign (resid 58 and name C ) (resid 58 and name CA ) 5.392 2.391 assign (resid 12 and name N ) (resid 11 and name C ) -3.508 1.082 assign (resid 13 and name N ) (resid 12 and name C ) 1.878 1.726 assign (resid 14 and name N ) (resid 13 and name C ) 4.228 0.977 assign (resid 16 and name N ) (resid 15 and name C ) -3.318 1.407 assign (resid 18 and name N ) (resid 17 and name C ) -4.956 0.898 assign (resid 20 and name N ) (resid 19 and name C ) -1.489 2.778 assign (resid 21 and name N ) (resid 20 and name C ) 6.122 1.843 assign (resid 22 and name N ) (resid 21 and name C ) -3.458 0.793 assign (resid 23 and name N ) (resid 22 and name C ) -0.860 1.086 assign (resid 24 and name N ) (resid 23 and name C ) 0.670 0.960 assign (resid 25 and name N ) (resid 24 and name C ) -1.084 1.889 assign (resid 35 and name N ) (resid 34 and name C ) -9.432 1.267 assign (resid 36 and name N ) (resid 35 and name C ) -4.501 0.598 assign (resid 37 and name N ) (resid 36 and name C ) -5.030 1.076 assign (resid 51 and name N ) (resid 50 and name C ) 0.587 1.397 assign (resid 52 and name N ) (resid 51 and name C ) 3.533 2.096 assign (resid 53 and name N ) (resid 52 and name C ) -6.453 0.746 assign (resid 55 and name N ) (resid 54 and name C ) -2.449 2.335 assign (resid 56 and name N ) (resid 55 and name C ) 0.256 1.380 assign (resid 57 and name N ) (resid 56 and name C ) -1.597 1.781 assign (resid 58 and name N ) (resid 57 and name C ) -0.124 2.800 assign (resid 12 and name HN ) (resid 11 and name C ) -4.851 0.829 assign (resid 13 and name HN ) (resid 12 and name C ) 2.627 0.845 assign (resid 16 and name HN ) (resid 15 and name C ) -3.601 0.791 assign (resid 20 and name HN ) (resid 19 and name C ) -0.949 1.668 assign (resid 22 and name HN ) (resid 21 and name C ) -0.912 0.541 assign (resid 23 and name HN ) (resid 22 and name C ) -5.955 0.910 assign (resid 24 and name HN ) (resid 23 and name C ) 2.878 0.720 assign (resid 25 and name HN ) (resid 24 and name C ) 3.136 1.132 assign (resid 35 and name HN ) (resid 34 and name C ) -4.212 0.556 assign (resid 37 and name HN ) (resid 36 and name C ) -1.579 0.527 assign (resid 51 and name HN ) (resid 50 and name C ) -1.420 0.973 assign (resid 52 and name HN ) (resid 51 and name C ) 0.019 1.310 assign (resid 53 and name HN ) (resid 52 and name C ) -4.913 0.365 assign (resid 55 and name HN ) (resid 54 and name C ) -5.837 1.452 assign (resid 56 and name HN ) (resid 55 and name C ) -2.881 0.718 assign (resid 57 and name HN ) (resid 56 and name C ) 0.639 0.972 assign (resid 58 and name HN ) (resid 57 and name C ) 8.976 1.707
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