NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
277244 2kf3 cing 1-original 1 XPLOR/CNS chemical shift


!shift restraints for free barnase, low pressure (exptl shifts)
!degenerate methyls
OBSE (resid 10 and (name HG1#)) (resid 10 and (name HG2#))  0.422  0.537 
OBSE (resid 14 and (name HD1#)) (resid 14 and (name HD2#))  0.229  0.439 
OBSE (resid 20 and (name HD1#)) (resid 20 and (name HD2#))  1.031  0.466 
OBSE (resid 33 and (name HD1#)) (resid 33 and (name HD2#))  0.877  0.627 
OBSE (resid 42 and (name HD1#)) (resid 42 and (name HD2#))  0.504 -0.084 
OBSE (resid 45 and (name HG1#)) (resid 45 and (name HG2#))  0.887  0.699 
OBSE (resid 63 and (name HD1#)) (resid 63 and (name HD2#)) -0.178 -1.604 
OBSE (resid 89 and (name HD1#)) (resid 89 and (name HD2#))  0.325  0.863 
OBSE (resid 95 and (name HD1#)) (resid 95 and (name HD2#))  0.919  0.992 
!degenerate other
OBSE (resid 15 and (name HB1)) (resid 15 and (name HB2))  1.827  1.953 
OBSE (resid 15 and (name HG1)) (resid 15 and (name HG2))  1.886  0.943 
OBSE (resid 18 and (name HB1)) (resid 18 and (name HB2))  3.381  3.031 
OBSE (resid 19 and (name HD1)) (resid 19 and (name HD2))  1.710  1.707 
OBSE (resid 19 and (name HE1)) (resid 19 and (name HE2))  2.382  2.618 
OBSE (resid 21 and (name HB1)) (resid 21 and (name HB2))  1.505  2.094 
OBSE (resid 27 and (name HD1)) (resid 27 and (name HD2))  1.687  1.687 
OBSE (resid 27 and (name HE1)) (resid 27 and (name HE2))  2.817  2.884 
OBSE (resid 28 and (name HB1)) (resid 28 and (name HB2))  3.906  3.766 
OBSE (resid 29 and (name HB1)) (resid 29 and (name HB2))  1.931  1.931 
OBSE (resid 31 and (name HB1)) (resid 31 and (name HB2))  2.147  2.644 
OBSE (resid 31 and (name HG1)) (resid 31 and (name HG2))  2.460  2.572 
OBSE (resid 38 and (name HB1)) (resid 38 and (name HB2))  3.853  3.934 
OBSE (resid 39 and (name HB1)) (resid 39 and (name HB2))  1.718  1.708 
OBSE (resid 47 and (name HB1)) (resid 47 and (name HB2))  2.356  2.198 
OBSE (resid 47 and (name HD1)) (resid 47 and (name HD2))  3.341  3.605 
OBSE (resid 47 and (name HG1)) (resid 47 and (name HG2))  2.438  2.095 
OBSE (resid 49 and (name HD1)) (resid 49 and (name HD2))  1.979  1.347 
OBSE (resid 49 and (name HE1)) (resid 49 and (name HE2))  2.915  2.968 
OBSE (resid 49 and (name HG1)) (resid 49 and (name HG2))  0.772 -0.004 
OBSE (resid 55 and (name HG11)) (resid 55 and (name HG12))  1.187  1.212 
OBSE (resid 59 and (name HB1)) (resid 59 and (name HB2))  1.800  1.523 
OBSE (resid 59 and (name HD1)) (resid 59 and (name HD2))  3.200  3.149 
OBSE (resid 64 and (name HB1)) (resid 64 and (name HB2))  2.215  2.331 
OBSE (resid 64 and (name HD1)) (resid 64 and (name HD2))  3.583  3.260 
OBSE (resid 64 and (name HG1)) (resid 64 and (name HG2))  2.159  2.376 
OBSE (resid 66 and (name HB1)) (resid 66 and (name HB2))  1.331  1.912 
OBSE (resid 66 and (name HG1)) (resid 66 and (name HG2))  1.268  0.587 
OBSE (resid 80 and (name HB1)) (resid 80 and (name HB2))  3.596  3.998 
OBSE (resid 85 and (name HB1)) (resid 85 and (name HB2))  3.646  3.620 
OBSE (resid 98 and (name HB1)) (resid 98 and (name HB2))  1.823  1.730 
OBSE (resid 98 and (name HE1)) (resid 98 and (name HE2))  2.340  2.873 
OBSE (resid 104 and (name HB1)) (resid 104 and (name HB2))  1.727  1.922 
OBSE (resid 104 and (name HG1)) (resid 104 and (name HG2))  2.588  2.520 
OBSE (resid 108 and (name HE1)) (resid 108 and (name HE2))  2.867  3.004 
OBSE (resid 110 and (name HB1)) (resid 110 and (name HB2))  1.902  1.821 
!Ha
OBSE (resid 4 and (name HA))  3.895
OBSE (resid 5 and (name HA))  4.918
OBSE (resid 7 and (name HA))  4.987
OBSE (resid 10 and (name HA))  3.819
OBSE (resid 11 and (name HA))  3.752
OBSE (resid 13 and (name HA))  4.947
OBSE (resid 15 and (name HA))  3.898
OBSE (resid 16 and (name HA))  4.242
OBSE (resid 17 and (name HA))  5.162
OBSE (resid 18 and (name HA))  4.866
OBSE (resid 20 and (name HA))  4.171
OBSE (resid 21 and (name HA))  2.500
OBSE (resid 24 and (name HA))  5.310
OBSE (resid 26 and (name HA))  3.953
OBSE (resid 27 and (name HA))  3.714
OBSE (resid 28 and (name HA))  3.970
OBSE (resid 29 and (name HA))  3.931
OBSE (resid 30 and (name HA))  3.495
OBSE (resid 32 and (name HA))  4.109
OBSE (resid 36 and (name HA))  4.325
OBSE (resid 37 and (name HA))  3.743
OBSE (resid 38 and (name HA))  4.092
OBSE (resid 43 and (name HA))  4.254
OBSE (resid 44 and (name HA))  4.628
OBSE (resid 45 and (name HA))  3.917
OBSE (resid 49 and (name HA))  4.404
OBSE (resid 50 and (name HA))  4.056
OBSE (resid 55 and (name HA))  5.041
OBSE (resid 57 and (name HA))  4.269
OBSE (resid 58 and (name HA))  4.612
OBSE (resid 59 and (name HA))  4.166
OBSE (resid 60 and (name HA))  4.253
OBSE (resid 63 and (name HA))  3.615
OBSE (resid 66 and (name HA))  4.096
OBSE (resid 70 and (name HA))  4.599
OBSE (resid 73 and (name HA))  5.194
OBSE (resid 74 and (name HA))  4.991
OBSE (resid 76 and (name HA))  4.494
OBSE (resid 77 and (name HA))  4.446
OBSE (resid 78 and (name HA))  5.485
OBSE (resid 79 and (name HA))  3.983
OBSE (resid 80 and (name HA))  4.718
OBSE (resid 83 and (name HA))  4.165
OBSE (resid 84 and (name HA))  4.707
OBSE (resid 86 and (name HA))  4.892
OBSE (resid 88 and (name HA))  5.263
OBSE (resid 89 and (name HA))  5.413
OBSE (resid 90 and (name HA))  6.329
OBSE (resid 92 and (name HA))  4.218
OBSE (resid 94 and (name HA))  4.755
OBSE (resid 96 and (name HA))  5.206
OBSE (resid 97 and (name HA))  5.684
OBSE (resid 98 and (name HA))  5.453
OBSE (resid 100 and (name HA))  4.332
OBSE (resid 103 and (name HA))  4.586
OBSE (resid 104 and (name HA))  3.943
OBSE (resid 106 and (name HA))  5.205
OBSE (resid 108 and (name HA))  4.431
OBSE (resid 110 and (name HA))  4.351
!HN
OBSE (resid 4 and (name HN))  8.008
OBSE (resid 5 and (name HN))  8.739
OBSE (resid 6 and (name HN))  8.071
OBSE (resid 7 and (name HN))  8.095
OBSE (resid 8 and (name HN))  7.664
OBSE (resid 9 and (name HN))  7.473
OBSE (resid 10 and (name HN))  8.015
OBSE (resid 11 and (name HN))  8.126
OBSE (resid 12 and (name HN))  9.123
OBSE (resid 13 and (name HN))  8.210
OBSE (resid 14 and (name HN))  8.395
OBSE (resid 15 and (name HN))  9.483
OBSE (resid 16 and (name HN))  7.579
OBSE (resid 17 and (name HN))  8.407
OBSE (resid 18 and (name HN))  8.144
OBSE (resid 19 and (name HN))  7.893
OBSE (resid 20 and (name HN))  8.299
OBSE (resid 22 and (name HN))  7.602
OBSE (resid 23 and (name HN))  8.094
OBSE (resid 24 and (name HN))  8.527
OBSE (resid 25 and (name HN))  9.006
OBSE (resid 26 and (name HN))  8.626
OBSE (resid 27 and (name HN))  8.800
OBSE (resid 29 and (name HN))  7.874
OBSE (resid 30 and (name HN))  7.919
OBSE (resid 31 and (name HN))  8.817
OBSE (resid 32 and (name HN))  8.595
OBSE (resid 33 and (name HN))  8.370
OBSE (resid 34 and (name HN))  7.659
OBSE (resid 35 and (name HN))  8.662
OBSE (resid 36 and (name HN))  8.227
OBSE (resid 37 and (name HN))  8.262
OBSE (resid 39 and (name HN))  7.294
OBSE (resid 40 and (name HN))  9.021
OBSE (resid 41 and (name HN))  7.597
OBSE (resid 42 and (name HN))  9.240
OBSE (resid 43 and (name HN))  8.780
OBSE (resid 44 and (name HN))  8.050
OBSE (resid 45 and (name HN))  7.893
OBSE (resid 46 and (name HN))  7.406
OBSE (resid 48 and (name HN))  8.843
OBSE (resid 49 and (name HN))  8.330
OBSE (resid 50 and (name HN))  8.552
OBSE (resid 53 and (name HN))  9.363
OBSE (resid 54 and (name HN))  8.217
OBSE (resid 55 and (name HN))  8.498
OBSE (resid 56 and (name HN))  8.673
OBSE (resid 60 and (name HN))  7.358
OBSE (resid 61 and (name HN))  8.388
OBSE (resid 62 and (name HN))  7.981
OBSE (resid 63 and (name HN))  7.342
OBSE (resid 65 and (name HN))  8.536
OBSE (resid 66 and (name HN))  8.512
OBSE (resid 69 and (name HN))  8.477
OBSE (resid 70 and (name HN))  8.309
OBSE (resid 71 and (name HN))  8.375
OBSE (resid 72 and (name HN))  8.680
OBSE (resid 73 and (name HN))  8.268
OBSE (resid 74 and (name HN))  9.027
OBSE (resid 75 and (name HN))  9.777
OBSE (resid 76 and (name HN))  8.616
OBSE (resid 77 and (name HN))  9.832
OBSE (resid 79 and (name HN))  6.703
OBSE (resid 80 and (name HN))  8.074
OBSE (resid 81 and (name HN))  9.044
OBSE (resid 83 and (name HN))  6.499
OBSE (resid 85 and (name HN))  8.612
OBSE (resid 86 and (name HN))  7.613
OBSE (resid 87 and (name HN))  8.109
OBSE (resid 88 and (name HN))  9.018
OBSE (resid 89 and (name HN))  9.765
OBSE (resid 90 and (name HN))  8.577
OBSE (resid 91 and (name HN))  8.786
OBSE (resid 92 and (name HN))  8.905
OBSE (resid 93 and (name HN))  7.312
OBSE (resid 94 and (name HN))  7.102
OBSE (resid 95 and (name HN))  7.544
OBSE (resid 96 and (name HN))  8.590
OBSE (resid 97 and (name HN)) 10.055
OBSE (resid 98 and (name HN))  9.464
OBSE (resid 99 and (name HN))  9.000
OBSE (resid 100 and (name HN))  8.206
OBSE (resid 102 and (name HN))  7.775
OBSE (resid 103 and (name HN))  7.547
OBSE (resid 104 and (name HN))  7.299
OBSE (resid 105 and (name HN))  7.811
OBSE (resid 106 and (name HN))  8.443
OBSE (resid 107 and (name HN))  9.355
OBSE (resid 108 and (name HN))  8.428
OBSE (resid 110 and (name HN))  8.532
!single methyl
OBSE (resid 4 and (name HD1#))  0.880
OBSE (resid 4 and (name HG2#))  0.670
OBSE (resid 6 and (name HG2#))  1.120
OBSE (resid 11 and (name HB#))  1.360
OBSE (resid 16 and (name HG2#))  0.670
OBSE (resid 25 and (name HG2#))  0.420
OBSE (resid 25 and (name HD1#))  0.530
OBSE (resid 26 and (name HG2#))  1.200
OBSE (resid 30 and (name HB#))  0.660
OBSE (resid 32 and (name HB#))  1.560
OBSE (resid 37 and (name HB#))  1.440
OBSE (resid 43 and (name HB#))  1.820
OBSE (resid 46 and (name HB#))  1.010
OBSE (resid 51 and (name HD1#))  0.050
OBSE (resid 51 and (name HG2#))  0.620
OBSE (resid 55 and (name HD1#))  0.800
OBSE (resid 55 and (name HG2#))  1.000
OBSE (resid 70 and (name HG2#))  1.170
OBSE (resid 74 and (name HB#))  1.280
OBSE (resid 76 and (name HD1#))  0.650
OBSE (resid 76 and (name HG2#))  1.250
OBSE (resid 79 and (name HG2#))  0.710
OBSE (resid 88 and (name HD1#))  0.750
OBSE (resid 88 and (name HG2#))  1.000
OBSE (resid 96 and (name HD1#))  0.470
OBSE (resid 96 and (name HG2#))  0.830
OBSE (resid 99 and (name HG2#))  0.720
OBSE (resid 100 and (name HG2#))  0.820
OBSE (resid 105 and (name HG2#))  1.020
OBSE (resid 107 and (name HG2#))  1.050
OBSE (resid 109 and (name HD1#))  0.790
OBSE (resid 109 and (name HG2#))  0.590
!other
OBSE (resid 35 and (name HE1)) 11.580
OBSE (resid 71 and (name HE1)) 10.338
OBSE (resid 94 and (name HE1))  9.875
OBSE (resid 3 and (name HB))  2.145
OBSE (resid 4 and (name HB))  1.467
OBSE (resid 10 and (name HB))  2.405
OBSE (resid 14 and (name HG))  1.218
OBSE (resid 20 and (name HG))  1.111
OBSE (resid 25 and (name HB))  1.702
OBSE (resid 36 and (name HB))  2.018
OBSE (resid 45 and (name HB))  2.069
OBSE (resid 51 and (name HB))  1.643
OBSE (resid 55 and (name HB))  1.989
OBSE (resid 63 and (name HG)) -0.123
OBSE (resid 76 and (name HB))  1.605
OBSE (resid 88 and (name HB))  1.855
OBSE (resid 89 and (name HG))  0.722
OBSE (resid 96 and (name HB))  2.016
OBSE (resid 107 and (name HB))  4.237



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