NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
473396 2k0x 15658 cing 1-original 2 unknown peak


/home/chsee/structure_calcs/holo/run9/data/distances
 
number of intra sidechain ambiguous restraints
2
number of intra sidechain unambiguous restraints
20
total number of intra sidechain restraints
22
 
number of protein to sidechain ambiguous restraints
1
number of protein to sidechain unambiguous restraints
2
total number of protein to sidechain restraints
3
 
number of protein to sidechain restraints which were from H28/H30/H31
3
 
list of intra sidechain restraints
 uASSI   1  42 H37A 42 H36A 2.800 1.000 1.000 peak 1 volume 0.55744E-02 ppm1 3.629 ppm2 8.132   
   uOR   1  42 H37B 42 H36A   
 uASSI   2  42 H32A 42 H36A 2.700 0.900 0.900 peak 2 volume 0.56490E-02 ppm1 4.118 ppm2 8.132   
 uASSI   3  42 H42B 42 H41A 2.700 0.900 0.900 peak 3 volume 0.65028E-02 ppm1 3.438 ppm2 8.317   
   uOR   3  42 H42A 42 H41A   
 uASSI   4  42 H38B 42 H41A 2.600 0.900 0.900 peak 4 volume 0.59589E-02 ppm1 2.597 ppm2 8.316   
   uOR   4  42 H38A 42 H41A   
 uASSI   5  42 H38A 42 H36A 3.200 1.300 1.300 peak 5 volume 0.28079E-02 ppm1 2.604 ppm2 8.132   
   uOR   5  42 H38B 42 H36A   
 uASSI   10  42 H28A 42 H31% 2.900 1.000 1.000 peak 10 volume 0.87017E-02 ppm1 3.486 ppm2 1.063   
 uASSI   11  42 H28A 42 H30% 2.600 0.800 0.800 peak 11 volume 0.15598E-01 ppm1 3.486 ppm2 0.951   
 uASSI   12  42 H28B 42 H30% 2.300 0.600 0.600 peak 12 volume 0.16752E-01 ppm1 3.894 ppm2 0.951   
 uASSI   13  42 H28B 42 H31% 2.900 1.100 1.100 peak 13 volume 0.53784E-02 ppm1 3.895 ppm2 1.063   
 uASSI   14  42 H32A 42 H31% 2.800 0.900 0.900 peak 14 volume 0.86717E-02 ppm1 4.116 ppm2 1.063   
 uASSI   15  42 H32A 42 H30% 2.800 1.000 1.000 peak 15 volume 0.79785E-02 ppm1 4.115 ppm2 0.951   
 uASSI   16  42 H36A 42 H31% 3.700 1.700 1.700 peak 16 volume 0.32869E-02 ppm1 8.139 ppm2 1.063   
 uASSI   17  42 H36A 42 H30% 3.000 1.100 1.100 peak 17 volume 0.47134E-02 ppm1 8.139 ppm2 0.951   
 uASSI   18  42 H41A 42 H30% 2.900 2.900 3.100 peak 18 volume 0.92566E-03 ppm1 8.320 ppm2 0.951   
 uASSI   21  42 H28A 42 H28B 1.900 0.500 0.500 peak 21 volume 0.62148E-02 ppm1 3.488 ppm2 3.889  
 uASSI   25  42 H28A 42 H32A 2.900 1.000 1.000 peak 25 volume 0.40625E-02 ppm1 3.488 ppm2 4.112   
 uASSI   26  42 H28B 42 H32A 3.300 1.400 1.400 peak 26 volume 0.30824E-02 ppm1 3.893 ppm2 4.114   
 uASSI   27  42 H28B 42 H36A 4.700 2.800 1.300 peak 27 volume 0.10349E-02 ppm1 3.891 ppm2 8.129   
 aASSI   2304  42 HB2 42 H31% 3.700 1.700 1.700 peak 2304 volume 0.74427E-03 ppm1 4.331 ppm2 1.066  
 uASSI   2321  42 HB1 42 H28A 4.300 2.400 1.700 peak 2321 volume 0.76387E-03 ppm1 4.199 ppm2 3.489   
 uASSI   2322  42 HB2 42 H28A 3.800 1.800 1.800 peak 2322 volume 0.39824E-03 ppm1 4.336 ppm2 3.494   
 aASSI   2324  42 HB2 42 H28B 4.400 2.400 1.600 peak 2324 volume 0.36110E-03 ppm1 4.339 ppm2 3.915  
   aOR   2325  42 HB1 42 H28B   
 
list of protein to sidechain restraints
 aASSIs  669  42 H28B 43 HD1% 3.600 3.600 2.400 peak 669 volume 0.69548E-03 ppm1 3.910 ppm2 1.006   
 uASSIs  670  42 H28A 43 HD1% 3.200 3.200 2.800 peak 670 volume 0.54911E-03 ppm1 3.498 ppm2 1.009   
 uASSIs  876  42 H28A 43 HN 3.300 3.300 2.700 peak 876 volume 0.42739E-03 ppm1 3.490 ppm2 7.793   
   aOR   2493  40 HD% 42 H31%  
/home/chsee/structure_calcs/holo/run9/data/distances
Restraints to residue 42
   aOR  {141} 38 HD1% 42 HA  
   aOR  {2493} 40 HD% 42 H31%  
 uASSI  {1480} 41 HB1 42 HN 2.500 0.800 0.800 peak 1480 volume 0.51810E-02 ppm1 3.284 ppm2 8.921   
 uASSI  {1481} 41 HB2 42 HN 3.100 1.200 1.200 peak 1481 volume 0.37483E-02 ppm1 2.850 ppm2 8.919   
 uASSI  {1797} 41 HA 42 HN 2.300 0.700 0.700 peak 1797 volume 0.74596E-02 ppm1 4.749 ppm2 8.926   
 uASSIs {189} 41 HN 42 HN 4.400 2.400 1.600 peak 189 volume 0.59583E-03 ppm1 7.965 ppm2 8.920   
 aASSIs {669} 42 H28B 43 HD1% 3.600 3.600 2.400 peak 669 volume 0.69548E-03 ppm1 3.910 ppm2 1.006   
   aOR  {186} 42 HN 43 HA   
   aOR  {2304} 42 HB2 43 HD2%   
   aORs {880} 42 HA 43 HN   
 uASSI  {2169} 42 HA 43 HN 3.400 1.500 1.500 peak 2169 volume 0.10722E-02 ppm1 4.265 ppm2 7.792   
 uASSI  {2331} 42 HB1 43 HN 4.400 2.400 1.600 peak 2331 volume 0.67228E-03 ppm1 4.196 ppm2 7.800   
 uASSIs {670} 42 H28A 43 HD1% 3.200 3.200 2.800 peak 670 volume 0.54911E-03 ppm1 3.498 ppm2 1.009   
 uASSIs {871} 42 HN 43 HN 2.700 0.900 0.900 peak 871 volume 0.27201E-02 ppm1 8.922 ppm2 7.794   
 uASSIs {876} 42 H28A 43 HN 3.300 3.300 2.700 peak 876 volume 0.42739E-03 ppm1 3.490 ppm2 7.793   
 uASSIs {879} 42 HB2 43 HN 3.100 1.200 1.200 peak 879 volume 0.92772E-03 ppm1 4.339 ppm2 7.793   
 aASSI  {182} 42 HN 44 HB% 4.800 2.800 1.200 peak 182 volume 0.38957E-03 ppm1 8.919 ppm2 1.505  
   aOR  {2185} 42 HA 44 HB%   
 aASSI  {2185} 42 HA 45 HB2 2.900 1.100 1.100 peak 2185 volume 0.27350E-02 ppm1 4.269 ppm2 1.501  
 aASSIs {1516} 42 HA 45 HB2 3.100 1.200 1.200 peak 1516 volume 0.24086E-02 ppm1 4.268 ppm2 1.496   
 aASSIs {540} 42 HA 45 HD2% 4.500 2.500 1.500 peak 540 volume 0.86864E-03 ppm1 4.279 ppm2 0.353   
 aASSIs {690} 42 HA 45 HN 3.000 1.100 1.100 peak 690 volume 0.29777E-02 ppm1 4.279 ppm2 8.444  
   aOR  {182} 42 HN 45 HB2   
   aORs {1512} 42 HA 45 HB1  
 uASSI  {181} 42 HN 45 HD2% 5.400 3.600 0.600 peak 181 volume 0.22489E-03 ppm1 8.916 ppm2 0.357   
 uASSI  {2166} 42 HA 45 HN 3.300 1.400 1.400 peak 2166 volume 0.17890E-02 ppm1 4.271 ppm2 8.446   
 uASSI  {2186} 42 HA 45 HG 2.800 1.000 1.000 peak 2186 volume 0.19542E-02 ppm1 4.270 ppm2 1.377   
 uASSI  {2190} 42 HA 45 HB1 4.600 2.600 1.400 peak 2190 volume 0.87948E-03 ppm1 4.263 ppm2 1.636   
 uASSI  {2198} 42 HA 45 HD2% 4.000 2.000 2.000 peak 2198 volume 0.17054E-02 ppm1 4.268 ppm2 0.356   
 uASSIs {537} 42 HA 45 HD1% 3.100 1.200 1.200 peak 537 volume 0.14143E-02 ppm1 4.266 ppm2 0.238   
 uASSI  {2167} 42 HA 46 HN 4.100 2.100 1.900 peak 2167 volume 0.72815E-03 ppm1 4.268 ppm2 8.226   
 uASSIs {241} 42 HB1 65 HB% 4.000 2.000 2.000 peak 241 volume 0.67060E-03 ppm1 4.180 ppm2 1.392   
 aASSI  {2325} 42 HB1 66 HA2 3.700 1.700 1.700 peak 2325 volume 0.38495E-03 ppm1 4.201 ppm2 3.910  
   aOR  {2324} 42 HB2 66 HA2   
 uASSI  {1} 42 H37A 42 H36A 2.800 1.000 1.000 peak 1 volume 0.55744E-02 ppm1 3.629 ppm2 8.132   
 uASSI  {10} 42 H28A 42 H31% 2.900 1.000 1.000 peak 10 volume 0.87017E-02 ppm1 3.486 ppm2 1.063   
 uASSI  {11} 42 H28A 42 H30% 2.600 0.800 0.800 peak 11 volume 0.15598E-01 ppm1 3.486 ppm2 0.951   
 uASSI  {12} 42 H28B 42 H30% 2.300 0.600 0.600 peak 12 volume 0.16752E-01 ppm1 3.894 ppm2 0.951   
 uASSI  {13} 42 H28B 42 H31% 2.900 1.100 1.100 peak 13 volume 0.53784E-02 ppm1 3.895 ppm2 1.063   
 uASSI  {14} 42 H32A 42 H31% 2.800 0.900 0.900 peak 14 volume 0.86717E-02 ppm1 4.116 ppm2 1.063   
 uASSI  {15} 42 H32A 42 H30% 2.800 1.000 1.000 peak 15 volume 0.79785E-02 ppm1 4.115 ppm2 0.951   
 uASSI  {16} 42 H36A 42 H31% 3.700 1.700 1.700 peak 16 volume 0.32869E-02 ppm1 8.139 ppm2 1.063   
 uASSI  {17} 42 H36A 42 H30% 3.000 1.100 1.100 peak 17 volume 0.47134E-02 ppm1 8.139 ppm2 0.951   
 uASSI  {18} 42 H41A 42 H30% 2.900 2.900 3.100 peak 18 volume 0.92566E-03 ppm1 8.320 ppm2 0.951   
 uASSI  {2} 42 H32A 42 H36A 2.700 0.900 0.900 peak 2 volume 0.56490E-02 ppm1 4.118 ppm2 8.132   
 uASSI  {21} 42 H28A 42 H28B 1.900 0.500 0.500 peak 21 volume 0.62148E-02 ppm1 3.488 ppm2 3.889  
 uASSI  {2160} 42 HA 42 HN 2.600 0.800 0.800 peak 2160 volume 0.42852E-02 ppm1 4.269 ppm2 8.922   
 uASSI  {2321} 42 HB1 42 H28A 4.300 2.400 1.700 peak 2321 volume 0.76387E-03 ppm1 4.199 ppm2 3.489   
 uASSI  {2322} 42 HB2 42 H28A 3.800 1.800 1.800 peak 2322 volume 0.39824E-03 ppm1 4.336 ppm2 3.494   
 uASSI  {2341} 42 HB2 42 HN 2.500 0.800 0.800 peak 2341 volume 0.39283E-02 ppm1 4.338 ppm2 8.921   
 uASSI  {2342} 42 HB1 42 HN 3.500 1.500 1.500 peak 2342 volume 0.29005E-02 ppm1 4.195 ppm2 8.919   
 uASSI  {25} 42 H28A 42 H32A 2.900 1.000 1.000 peak 25 volume 0.40625E-02 ppm1 3.488 ppm2 4.112   
 uASSI  {26} 42 H28B 42 H32A 3.300 1.400 1.400 peak 26 volume 0.30824E-02 ppm1 3.893 ppm2 4.114   
 uASSI  {27} 42 H28B 42 H36A 4.700 2.800 1.300 peak 27 volume 0.10349E-02 ppm1 3.891 ppm2 8.129   
 uASSI  {3} 42 H42B 42 H41A 2.700 0.900 0.900 peak 3 volume 0.65028E-02 ppm1 3.438 ppm2 8.317   
 uASSI  {4} 42 H38B 42 H41A 2.600 0.900 0.900 peak 4 volume 0.59589E-02 ppm1 2.597 ppm2 8.316   
 uASSI  {5} 42 H38A 42 H36A 3.200 1.300 1.300 peak 5 volume 0.28079E-02 ppm1 2.604 ppm2 8.132   
   uOR  {3} 42 H42A 42 H41A   
   uOR  {5} 42 H38B 42 H36A   
   uOR  {4} 42 H38A 42 H41A   
   uOR  {1} 42 H37B 42 H36A   
   aOR  {2325} 42 HB1 42 H28B   
 aASSI  {186} 42 HN 42 HA 2.600 0.900 0.900 peak 186 volume 0.41944E-02 ppm1 8.921 ppm2 4.272  
 aASSI  {2304} 42 HB2 42 H31% 3.700 1.700 1.700 peak 2304 volume 0.74427E-03 ppm1 4.331 ppm2 1.066  
 aASSI  {2324} 42 HB2 42 H28B 4.400 2.400 1.600 peak 2324 volume 0.36110E-03 ppm1 4.339 ppm2 3.915  
! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/chsee/structure_calcs/holo/pred.tab
!
! settings: min phiError=20.0, min psiError=20.0, errorFactor=2.0
!


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