NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
5264 1gxx cing 1-original 1 XPLOR/CNS chemical shift






! HN protons
OBSE (resid 2 and (name HN))	    8.5840
OBSE (resid 3 and (name HN))	    9.2440
OBSE (resid 4 and (name HN))	    8.6300
OBSE (resid 5 and (name HN))	    8.5340
OBSE (resid 6 and (name HN))	    8.2950
OBSE (resid 7 and (name HN))	    7.8940
OBSE (resid 8 and (name HN))	    8.3940
OBSE (resid 9 and (name HN))	    8.2490
OBSE (resid 10 and (name HN))	    8.3970
OBSE (resid 11 and (name HN))	    8.5850
OBSE (resid 12 and (name HN))	    8.9200
OBSE (resid 13 and (name HN))	    7.8110
OBSE (resid 14 and (name HN))	    8.7170
OBSE (resid 15 and (name HN))	    7.9650
OBSE (resid 16 and (name HN))	    7.2240
OBSE (resid 17 and (name HN))	    8.9760
OBSE (resid 18 and (name HN))	    8.3200
OBSE (resid 19 and (name HN))	    9.2180
OBSE (resid 20 and (name HN))	    7.3530
OBSE (resid 21 and (name HN))	    8.4080
OBSE (resid 22 and (name HN))	    6.9000
OBSE (resid 23 and (name HN))	    7.4330
OBSE (resid 24 and (name HN))	    8.9810
OBSE (resid 25 and (name HN))	    9.2290
OBSE (resid 26 and (name HN))	    8.1430
OBSE (resid 27 and (name HN))	    8.1370
OBSE (resid 28 and (name HN))	    7.6600
OBSE (resid 29 and (name HN))	    9.5070
OBSE (resid 30 and (name HN))	    7.8330
OBSE (resid 31 and (name HN))	    7.9560
OBSE (resid 32 and (name HN))	    8.6890
OBSE (resid 33 and (name HN))	    8.9550
OBSE (resid 34 and (name HN))	    8.1960
OBSE (resid 35 and (name HN))	    8.1870
OBSE (resid 36 and (name HN))	    8.9390
OBSE (resid 37 and (name HN))	    8.7750
OBSE (resid 38 and (name HN))	    7.3110
OBSE (resid 39 and (name HN))	    8.5410
OBSE (resid 40 and (name HN))	    9.4930
OBSE (resid 41 and (name HN))	    8.1500
OBSE (resid 42 and (name HN))	    8.1480
OBSE (resid 43 and (name HN))	    8.6520
OBSE (resid 44 and (name HN))	    9.1250
OBSE (resid 45 and (name HN))	    8.4640
OBSE (resid 46 and (name HN))	    8.8700
OBSE (resid 47 and (name HN))	    8.5890
OBSE (resid 48 and (name HN))	    8.2730
OBSE (resid 49 and (name HN))	    7.4890
OBSE (resid 50 and (name HN))	    8.3360
OBSE (resid 51 and (name HN))	    8.6880
OBSE (resid 52 and (name HN))	    7.8660
OBSE (resid 53 and (name HN))	    8.8750
OBSE (resid 54 and (name HN))	    8.3840
OBSE (resid 55 and (name HN))	    8.5440
OBSE (resid 56 and (name HN))	    7.8540
OBSE (resid 57 and (name HN))	    7.2090
OBSE (resid 58 and (name HN))	    7.9940
OBSE (resid 59 and (name HN))	    9.4210
OBSE (resid 60 and (name HN))	    8.9130
OBSE (resid 61 and (name HN))	    7.5230
OBSE (resid 62 and (name HN))	    8.5220
OBSE (resid 63 and (name HN))	    8.2260
OBSE (resid 64 and (name HN))	    9.1610
OBSE (resid 65 and (name HN))	    9.4870
OBSE (resid 66 and (name HN))	    9.0610
OBSE (resid 67 and (name HN))	    9.5180
OBSE (resid 68 and (name HN))	    7.7100
OBSE (resid 69 and (name HN))	    8.4970
OBSE (resid 71 and (name HN))	    8.8200
OBSE (resid 72 and (name HN))	    8.4940
OBSE (resid 73 and (name HN))	    8.4520
OBSE (resid 74 and (name HN))	    8.7610
OBSE (resid 75 and (name HN))	    8.1850
OBSE (resid 76 and (name HN))	    8.7440
OBSE (resid 77 and (name HN))	    8.2750
OBSE (resid 78 and (name HN))	    8.0000
OBSE (resid 80 and (name HN))	    9.4720
OBSE (resid 81 and (name HN))	    8.0580
OBSE (resid 82 and (name HN))	    7.4830
OBSE (resid 83 and (name HN))	    7.4270
OBSE (resid 84 and (name HN))	    7.5390
OBSE (resid 85 and (name HN))	    7.7390
OBSE (resid 86 and (name HN))	    8.8710
OBSE (resid 87 and (name HN))	    7.7260
OBSE (resid 88 and (name HN))	    7.9600
OBSE (resid 89 and (name HN))	    7.5950
OBSE (resid 90 and (name HN))	    7.9570
OBSE (resid 91 and (name HN))	    8.2960
OBSE (resid 92 and (name HN))	    8.8370
OBSE (resid 93 and (name HN))	    8.2080
OBSE (resid 94 and (name HN))	    8.2630
OBSE (resid 95 and (name HN))	    8.5670
OBSE (resid 96 and (name HN))	    8.1630
OBSE (resid 97 and (name HN))	    7.1150
OBSE (resid 98 and (name HN))	    8.9760
OBSE (resid 99 and (name HN))	    8.7530
OBSE (resid 100 and (name HN))	    7.5460
OBSE (resid 101 and (name HN))	    9.0920
OBSE (resid 102 and (name HN))	    8.0920
OBSE (resid 103 and (name HN))	    8.6570
OBSE (resid 104 and (name HN))	    8.4930
OBSE (resid 105 and (name HN))	    8.7000
OBSE (resid 106 and (name HN))	    8.6680
OBSE (resid 107 and (name HN))	    7.7250
OBSE (resid 108 and (name HN))	    9.0430
OBSE (resid 109 and (name HN))	    9.0640
OBSE (resid 110 and (name HN))	    8.6080
OBSE (resid 111 and (name HN))	    8.1660
OBSE (resid 112 and (name HN))	    8.7100
OBSE (resid 113 and (name HN))	    8.4360
OBSE (resid 114 and (name HN))	    8.9000
OBSE (resid 115 and (name HN))	    7.3360
OBSE (resid 116 and (name HN))	    8.2760
OBSE (resid 117 and (name HN))	    8.3640
OBSE (resid 118 and (name HN))	    7.8540
OBSE (resid 119 and (name HN))	    9.0980
OBSE (resid 120 and (name HN))	    8.6510
OBSE (resid 121 and (name HN))	    8.1620
OBSE (resid 122 and (name HN))	    8.4010
OBSE (resid 123 and (name HN))	    6.8020
OBSE (resid 124 and (name HN))	    7.4050
OBSE (resid 125 and (name HN))	    9.2990
OBSE (resid 126 and (name HN))	    8.4110
OBSE (resid 127 and (name HN))	    8.2240
OBSE (resid 128 and (name HN))	    8.0940
OBSE (resid 129 and (name HN))	    8.3740
!HA protons
OBSE (resid 2 and (name HA))	    4.7480
OBSE (resid 3 and (name HA))	    5.2000
OBSE (resid 8 and (name HA))	    4.0020
OBSE (resid 9 and (name HA))	    4.0840
OBSE (resid 11 and (name HA))	    4.2170
OBSE (resid 15 and (name HA))	    4.8030
OBSE (resid 17 and (name HA))	    4.0640
OBSE (resid 19 and (name HA))	    3.8110
OBSE (resid 21 and (name HA))	    4.2110
OBSE (resid 23 and (name HA))	    4.5530
OBSE (resid 28 and (name HA))	    5.0880
OBSE (resid 29 and (name HA))	    4.1690
OBSE (resid 32 and (name HA))	    4.3250
OBSE (resid 34 and (name HA))	    5.2280
OBSE (resid 36 and (name HA))	    4.5020
OBSE (resid 37 and (name HA))	    3.9790
OBSE (resid 38 and (name HA))	    5.1820
OBSE (resid 39 and (name HA))	    5.3480
OBSE (resid 41 and (name HA))	    4.3670
OBSE (resid 43 and (name HA))	    4.6260
OBSE (resid 45 and (name HA))	    4.5810
OBSE (resid 46 and (name HA))	    5.0750
OBSE (resid 48 and (name HA))	    4.4940
OBSE (resid 52 and (name HA))	    4.8840
OBSE (resid 55 and (name HA))	    4.1340
OBSE (resid 56 and (name HA))	    4.2430
OBSE (resid 58 and (name HA))	    4.8700
OBSE (resid 59 and (name HA))	    4.8800
OBSE (resid 61 and (name HA))	    4.3900
OBSE (resid 62 and (name HA))	    5.1680
OBSE (resid 63 and (name HA))	    6.1570
OBSE (resid 64 and (name HA))	    4.6730
OBSE (resid 65 and (name HA))	    5.0220
OBSE (resid 76 and (name HA))	    4.8160
OBSE (resid 78 and (name HA))	    4.3010
OBSE (resid 81 and (name HA))	    4.0240
OBSE (resid 82 and (name HA))	    4.0640
OBSE (resid 83 and (name HA))	    4.1180
OBSE (resid 84 and (name HA))	    4.6620
OBSE (resid 85 and (name HA))	    4.3850
OBSE (resid 87 and (name HA))	    5.2960
OBSE (resid 91 and (name HA))	    4.2650
OBSE (resid 94 and (name HA))	    4.5130
OBSE (resid 97 and (name HA))	    4.2430
OBSE (resid 98 and (name HA))	    3.9180
OBSE (resid 107 and (name HA))	    4.2640
OBSE (resid 110 and (name HA))	    4.1960
OBSE (resid 111 and (name HA))	    4.7040
OBSE (resid 113 and (name HA))	    4.5270
OBSE (resid 114 and (name HA))	    4.1990
OBSE (resid 115 and (name HA))	    4.5370
OBSE (resid 119 and (name HA))	    5.1920
OBSE (resid 120 and (name HA))	    4.7120
OBSE (resid 121 and (name HA))	    4.5910
OBSE (resid 122 and (name HA))	    3.7610
OBSE (resid 125 and (name HA))	    4.1470
OBSE (resid 127 and (name HA))	    4.4750
OBSE (resid 128 and (name HA))	    4.0210
OBSE (resid 129 and (name HA))	    4.2350
!Single methyls
OBSE (resid 10 and (name HB#))	    1.6880
OBSE (resid 11 and (name HB#))	    1.4280
OBSE (resid 31 and (name HB#))	    1.6690
OBSE (resid 40 and (name HG2#))	    1.1420
OBSE (resid 43 and (name HG2#))	    1.2210
OBSE (resid 51 and (name HG2#))	    0.6830
OBSE (resid 55 and (name HD1#))	    0.6470
OBSE (resid 58 and (name HD1#))	    0.7370
OBSE (resid 69 and (name HG2#))	    0.9810
OBSE (resid 82 and (name HB#))	    1.5740
OBSE (resid 88 and (name HD1#))	    0.0570
OBSE (resid 89 and (name HG2#))	    1.1170
OBSE (resid 98 and (name HG2#))	   -0.3420
OBSE (resid 98 and (name HD1#))	    0.4830
OBSE (resid 107 and (name HB#))	    1.2310
OBSE (resid 110 and (name HB#))	    1.7400
OBSE (resid 118 and (name HG2#))    0.7920
OBSE (resid 122 and (name HB#))	    0.7570
OBSE (resid 124 and (name HG2#))    0.7290
OBSE (resid 124 and (name HD1#))    1.1150
!Other sidechain protons
OBSE (resid 3 and (name HE1 ))	    7.1930
OBSE (resid 8 and (name HG ))	    1.4140
OBSE (resid 23 and (name HD1 ))	    5.6430
OBSE (resid 23 and (name HE1 ))	    4.5330
OBSE (resid 28 and (name HD1 ))	    6.7550
OBSE (resid 28 and (name HE3 ))	    7.1190
OBSE (resid 28 and (name HZ2 ))	    7.1900
OBSE (resid 38 and (name HD1 ))	    7.1650
OBSE (resid 38 and (name HE1 ))	    7.2460
OBSE (resid 38 and (name HZ ))	    7.1650
OBSE (resid 40 and (name HB ))	    4.2310
OBSE (resid 43 and (name HB ))	    4.1430
OBSE (resid 51 and (name HB ))	    4.4010
OBSE (resid 53 and (name HE1 ))	    6.7580
OBSE (resid 63 and (name HZ3 ))	    7.2690
OBSE (resid 69 and (name HB ))	    4.2440
OBSE (resid 83 and (name HG ))	    1.4870
OBSE (resid 89 and (name HB ))	    4.0280
OBSE (resid 92 and (name HB ))	    1.6880
OBSE (resid 98 and (name HB ))	    1.7280
OBSE (resid 98 and (name HG1))      1.1180
OBSE (resid 99 and (name HG ))	    1.8670
OBSE (resid 108 and (name HZ3 ))    7.1950
OBSE (resid 111 and (name HE3 ))    7.2510
OBSE (resid 111 and (name HZ3 ))    6.6810
OBSE (resid 118 and (name HB ))	    4.5970
OBSE (resid 123 and (name HE3 ))    7.4130
OBSE (resid 123 and (name HZ2 ))    7.9080
OBSE (resid 123 and (name HZ3 ))    6.8970
OBSE (resid 123 and (name HH2 ))    7.5900
OBSE (resid 129 and (name HG ))	    0.7470
!Degenerate methyls (shift of both methyls: only sum is used)
OBSE (resid 8 and (name HD1#)) (resid 8 and (name HD2#)) 0.5170  0.1200 
OBSE (resid 17 and (name HD1#)) (resid 17 and (name HD2#)) -0.0600  -0.0090
OBSE (resid 99 and (name HG1#)) (resid 99 and (name HG2#)) 0.9810  0.6560
!Other degenerate
OBSE (resid 88 and (name HG1 )) (resid 88 and (name HG2)) 0.1790  0.6530 


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