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
277249 2kf4 16170 cing 1-original 1 XPLOR/CNS chemical shift


!shift restraints for free barnase, high pressure (exptl shifts plus change with P)
!degenerate methyls
OBSE (resid 10 and (name HG1#)) (resid 10 and (name HG2#))  0.416  0.554 
OBSE (resid 14 and (name HD1#)) (resid 14 and (name HD2#))  0.257  0.367 
OBSE (resid 20 and (name HD1#)) (resid 20 and (name HD2#))  1.029  0.425 
OBSE (resid 33 and (name HD1#)) (resid 33 and (name HD2#))  0.888  0.634 
OBSE (resid 42 and (name HD1#)) (resid 42 and (name HD2#))  0.505 -0.092 
OBSE (resid 45 and (name HG1#)) (resid 45 and (name HG2#))  0.885  0.690 
OBSE (resid 63 and (name HD1#)) (resid 63 and (name HD2#)) -0.170 -1.596 
OBSE (resid 89 and (name HD1#)) (resid 89 and (name HD2#))  0.287  0.940 
OBSE (resid 95 and (name HD1#)) (resid 95 and (name HD2#))  0.931  0.976 
!degenerate other
OBSE (resid 15 and (name HB1)) (resid 15 and (name HB2))  1.859  1.961 
OBSE (resid 15 and (name HG1)) (resid 15 and (name HG2))  1.935  0.992 
OBSE (resid 18 and (name HB1)) (resid 18 and (name HB2))  3.323  2.995 
OBSE (resid 19 and (name HD1)) (resid 19 and (name HD2))  1.702  1.699 
OBSE (resid 19 and (name HE1)) (resid 19 and (name HE2))  2.366  2.602 
OBSE (resid 21 and (name HB1)) (resid 21 and (name HB2))  1.518  2.043 
OBSE (resid 27 and (name HD1)) (resid 27 and (name HD2))  1.680  1.680 
OBSE (resid 27 and (name HE1)) (resid 27 and (name HE2))  2.847  2.914 
OBSE (resid 28 and (name HB1)) (resid 28 and (name HB2))  3.786  3.646 
OBSE (resid 29 and (name HB1)) (resid 29 and (name HB2))  1.933  1.933 
OBSE (resid 31 and (name HB1)) (resid 31 and (name HB2))  2.146  2.667 
OBSE (resid 31 and (name HG1)) (resid 31 and (name HG2))  2.470  2.547 
OBSE (resid 38 and (name HB1)) (resid 38 and (name HB2))  3.853  3.924 
OBSE (resid 39 and (name HB1)) (resid 39 and (name HB2))  1.722  1.720 
OBSE (resid 47 and (name HB1)) (resid 47 and (name HB2))  2.373  2.203 
OBSE (resid 47 and (name HD1)) (resid 47 and (name HD2))  3.349  3.595 
OBSE (resid 47 and (name HG1)) (resid 47 and (name HG2))  2.435  2.093 
OBSE (resid 49 and (name HD1)) (resid 49 and (name HD2))  1.912  1.319 
OBSE (resid 49 and (name HE1)) (resid 49 and (name HE2))  2.921  2.975 
OBSE (resid 49 and (name HG1)) (resid 49 and (name HG2))  0.786 -0.005 
OBSE (resid 55 and (name HG11)) (resid 55 and (name HG12))  1.155  1.261 
OBSE (resid 59 and (name HB1)) (resid 59 and (name HB2))  1.802  1.525 
OBSE (resid 59 and (name HD1)) (resid 59 and (name HD2))  3.203  3.153 
OBSE (resid 64 and (name HB1)) (resid 64 and (name HB2))  2.176  2.336 
OBSE (resid 64 and (name HD1)) (resid 64 and (name HD2))  3.462  3.223 
OBSE (resid 64 and (name HG1)) (resid 64 and (name HG2))  2.158  2.372 
OBSE (resid 66 and (name HB1)) (resid 66 and (name HB2))  1.306  1.905 
OBSE (resid 66 and (name HG1)) (resid 66 and (name HG2))  1.267  0.586 
OBSE (resid 80 and (name HB1)) (resid 80 and (name HB2))  3.602  4.004 
OBSE (resid 85 and (name HB1)) (resid 85 and (name HB2))  3.640  3.614 
OBSE (resid 98 and (name HB1)) (resid 98 and (name HB2))  1.770  1.716 
OBSE (resid 98 and (name HE1)) (resid 98 and (name HE2))  2.240  2.840 
OBSE (resid 104 and (name HB1)) (resid 104 and (name HB2))  1.719  1.911 
OBSE (resid 104 and (name HG1)) (resid 104 and (name HG2))  2.586  2.535 
OBSE (resid 108 and (name HE1)) (resid 108 and (name HE2))  2.857  2.994 
OBSE (resid 110 and (name HB1)) (resid 110 and (name HB2))  1.908  1.846 
!Ha
OBSE (resid 4 and (name HA))  3.916
OBSE (resid 5 and (name HA))  4.945
OBSE (resid 7 and (name HA))  4.957
OBSE (resid 10 and (name HA))  3.803
OBSE (resid 11 and (name HA))  3.750
OBSE (resid 13 and (name HA))  4.976
OBSE (resid 15 and (name HA))  3.950
OBSE (resid 16 and (name HA))  4.232
OBSE (resid 17 and (name HA))  5.212
OBSE (resid 18 and (name HA))  4.648
OBSE (resid 20 and (name HA))  4.127
OBSE (resid 21 and (name HA))  2.511
OBSE (resid 24 and (name HA))  5.286
OBSE (resid 26 and (name HA))  3.907
OBSE (resid 27 and (name HA))  3.717
OBSE (resid 28 and (name HA))  3.980
OBSE (resid 29 and (name HA))  3.937
OBSE (resid 30 and (name HA))  3.486
OBSE (resid 32 and (name HA))  4.131
OBSE (resid 36 and (name HA))  4.293
OBSE (resid 37 and (name HA))  3.753
OBSE (resid 38 and (name HA))  4.075
OBSE (resid 43 and (name HA))  4.248
OBSE (resid 44 and (name HA))  4.618
OBSE (resid 45 and (name HA))  3.912
OBSE (resid 49 and (name HA))  4.408
OBSE (resid 50 and (name HA))  4.056
OBSE (resid 55 and (name HA))  5.029
OBSE (resid 57 and (name HA))  4.300
OBSE (resid 58 and (name HA))  4.613
OBSE (resid 59 and (name HA))  4.215
OBSE (resid 60 and (name HA))  4.282
OBSE (resid 63 and (name HA))  3.519
OBSE (resid 66 and (name HA))  4.105
OBSE (resid 70 and (name HA))  4.517
OBSE (resid 73 and (name HA))  5.212
OBSE (resid 74 and (name HA))  4.980
OBSE (resid 76 and (name HA))  4.482
OBSE (resid 77 and (name HA))  4.454
OBSE (resid 78 and (name HA))  5.496
OBSE (resid 79 and (name HA))  3.979
OBSE (resid 80 and (name HA))  4.740
OBSE (resid 83 and (name HA))  4.153
OBSE (resid 84 and (name HA))  4.734
OBSE (resid 86 and (name HA))  4.886
OBSE (resid 88 and (name HA))  5.251
OBSE (resid 89 and (name HA))  5.392
OBSE (resid 90 and (name HA))  6.322
OBSE (resid 92 and (name HA))  4.243
OBSE (resid 94 and (name HA))  4.709
OBSE (resid 96 and (name HA))  5.208
OBSE (resid 97 and (name HA))  5.652
OBSE (resid 98 and (name HA))  5.430
OBSE (resid 100 and (name HA))  4.323
OBSE (resid 103 and (name HA))  4.575
OBSE (resid 104 and (name HA))  3.915
OBSE (resid 106 and (name HA))  5.243
OBSE (resid 108 and (name HA))  4.263
OBSE (resid 110 and (name HA))  4.374
!HN
OBSE (resid 4 and (name HN))  8.017
OBSE (resid 5 and (name HN))  8.819
OBSE (resid 6 and (name HN))  8.077
OBSE (resid 7 and (name HN))  8.141
OBSE (resid 8 and (name HN))  7.801
OBSE (resid 9 and (name HN))  7.489
OBSE (resid 10 and (name HN))  8.108
OBSE (resid 11 and (name HN))  8.136
OBSE (resid 12 and (name HN))  9.081
OBSE (resid 13 and (name HN))  8.182
OBSE (resid 14 and (name HN))  8.434
OBSE (resid 15 and (name HN))  9.502
OBSE (resid 16 and (name HN))  7.709
OBSE (resid 17 and (name HN))  8.474
OBSE (resid 18 and (name HN))  8.089
OBSE (resid 19 and (name HN))  7.836
OBSE (resid 20 and (name HN))  8.423
OBSE (resid 22 and (name HN))  7.747
OBSE (resid 23 and (name HN))  7.899
OBSE (resid 24 and (name HN))  8.495
OBSE (resid 25 and (name HN))  8.978
OBSE (resid 26 and (name HN))  8.639
OBSE (resid 27 and (name HN))  8.638
OBSE (resid 29 and (name HN))  7.974
OBSE (resid 30 and (name HN))  8.023
OBSE (resid 31 and (name HN))  8.907
OBSE (resid 32 and (name HN))  8.640
OBSE (resid 33 and (name HN))  8.341
OBSE (resid 34 and (name HN))  7.667
OBSE (resid 35 and (name HN))  8.778
OBSE (resid 36 and (name HN))  8.322
OBSE (resid 37 and (name HN))  8.303
OBSE (resid 39 and (name HN))  7.277
OBSE (resid 40 and (name HN))  9.011
OBSE (resid 41 and (name HN))  7.584
OBSE (resid 42 and (name HN))  9.314
OBSE (resid 43 and (name HN))  8.793
OBSE (resid 44 and (name HN))  7.982
OBSE (resid 45 and (name HN))  7.881
OBSE (resid 46 and (name HN))  7.478
OBSE (resid 48 and (name HN))  8.954
OBSE (resid 49 and (name HN))  8.346
OBSE (resid 50 and (name HN))  8.509
OBSE (resid 53 and (name HN))  9.385
OBSE (resid 54 and (name HN))  8.222
OBSE (resid 55 and (name HN))  8.603
OBSE (resid 56 and (name HN))  8.687
OBSE (resid 60 and (name HN))  7.385
OBSE (resid 61 and (name HN))  8.406
OBSE (resid 62 and (name HN))  7.991
OBSE (resid 63 and (name HN))  7.358
OBSE (resid 65 and (name HN))  8.552
OBSE (resid 66 and (name HN))  8.528
OBSE (resid 69 and (name HN))  8.429
OBSE (resid 70 and (name HN))  8.309
OBSE (resid 71 and (name HN))  8.402
OBSE (resid 72 and (name HN))  8.658
OBSE (resid 73 and (name HN))  8.205
OBSE (resid 74 and (name HN))  9.045
OBSE (resid 75 and (name HN))  9.904
OBSE (resid 76 and (name HN))  8.738
OBSE (resid 77 and (name HN))  9.844
OBSE (resid 79 and (name HN))  6.869
OBSE (resid 80 and (name HN))  8.027
OBSE (resid 81 and (name HN))  9.090
OBSE (resid 83 and (name HN))  6.572
OBSE (resid 85 and (name HN))  8.698
OBSE (resid 86 and (name HN))  7.654
OBSE (resid 87 and (name HN))  8.176
OBSE (resid 88 and (name HN))  9.110
OBSE (resid 89 and (name HN))  9.759
OBSE (resid 90 and (name HN))  8.579
OBSE (resid 91 and (name HN))  8.775
OBSE (resid 92 and (name HN))  8.966
OBSE (resid 93 and (name HN))  7.260
OBSE (resid 94 and (name HN))  7.050
OBSE (resid 95 and (name HN))  7.534
OBSE (resid 96 and (name HN))  8.651
OBSE (resid 97 and (name HN)) 10.209
OBSE (resid 98 and (name HN))  9.452
OBSE (resid 99 and (name HN))  9.057
OBSE (resid 100 and (name HN))  8.337
OBSE (resid 102 and (name HN))  7.788
OBSE (resid 103 and (name HN))  7.598
OBSE (resid 104 and (name HN))  7.230
OBSE (resid 105 and (name HN))  7.753
OBSE (resid 106 and (name HN))  8.557
OBSE (resid 107 and (name HN))  9.325
OBSE (resid 108 and (name HN))  8.449
OBSE (resid 110 and (name HN))  8.567
!single methyl
OBSE (resid 4 and (name HD1#))  0.890
OBSE (resid 4 and (name HG2#))  0.670
OBSE (resid 6 and (name HG2#))  1.140
OBSE (resid 11 and (name HB#))  1.380
OBSE (resid 16 and (name HG2#))  0.640
OBSE (resid 25 and (name HG2#))  0.380
OBSE (resid 25 and (name HD1#))  0.540
OBSE (resid 26 and (name HG2#))  1.200
OBSE (resid 30 and (name HB#))  0.640
OBSE (resid 32 and (name HB#))  1.560
OBSE (resid 37 and (name HB#))  1.450
OBSE (resid 43 and (name HB#))  1.820
OBSE (resid 46 and (name HB#))  1.010
OBSE (resid 51 and (name HD1#)) -0.020
OBSE (resid 51 and (name HG2#))  0.610
OBSE (resid 55 and (name HD1#))  0.780
OBSE (resid 55 and (name HG2#))  0.970
OBSE (resid 70 and (name HG2#))  1.180
OBSE (resid 74 and (name HB#))  1.260
OBSE (resid 76 and (name HD1#))  0.620
OBSE (resid 76 and (name HG2#))  1.210
OBSE (resid 79 and (name HG2#))  0.710
OBSE (resid 88 and (name HD1#))  0.760
OBSE (resid 88 and (name HG2#))  0.990
OBSE (resid 96 and (name HD1#))  0.500
OBSE (resid 96 and (name HG2#))  0.850
OBSE (resid 99 and (name HG2#))  0.720
OBSE (resid 100 and (name HG2#))  0.820
OBSE (resid 105 and (name HG2#))  1.010
OBSE (resid 107 and (name HG2#))  1.050
OBSE (resid 109 and (name HD1#))  0.820
OBSE (resid 109 and (name HG2#))  0.570
!other
OBSE (resid 3 and (name HB))  2.131
OBSE (resid 4 and (name HB))  1.453
OBSE (resid 10 and (name HB))  2.400
OBSE (resid 14 and (name HG))  1.211
OBSE (resid 20 and (name HG))  1.131
OBSE (resid 25 and (name HB))  1.649
OBSE (resid 36 and (name HB))  1.988
OBSE (resid 45 and (name HB))  2.074
OBSE (resid 51 and (name HB))  1.652
OBSE (resid 55 and (name HB))  2.018
OBSE (resid 63 and (name HG)) -0.165
OBSE (resid 76 and (name HB))  1.560
OBSE (resid 88 and (name HB))  1.840
OBSE (resid 89 and (name HG))  0.695
OBSE (resid 96 and (name HB))  2.045
OBSE (resid 107 and (name HB))  4.255



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