NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24602 | 2k3m | 15774 | cing | 1-original | 1 | XPLOR/CNS | dipolar coupling |
assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 1 and name N ) ( resid 1 and name HT1 ) 0.2400 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 2 and name N ) ( resid 2 and name HN ) 0.5300 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 3 and name N ) ( resid 3 and name HN ) 0.400 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 4 and name N ) ( resid 4 and name HN ) 0.3200 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 5 and name N ) ( resid 5 and name HN ) 0.4200 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 6 and name N ) ( resid 6 and name HN ) 0.3700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 7 and name N ) ( resid 7 and name HN ) -0.1100 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 9 and name N ) ( resid 9 and name HN ) 0.7600 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 10 and name N ) ( resid 10 and name HN ) -0.8800 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 11 and name N ) ( resid 11 and name HN ) 0.4100 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 13 and name N ) ( resid 13 and name HN ) 1.8800 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 15 and name N ) ( resid 15 and name HN ) 1.6200 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 16 and name N ) ( resid 16 and name HN ) 1.2700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 17 and name N ) ( resid 17 and name HN ) -0.5700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 18 and name N ) ( resid 18 and name HN ) 0.0600 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 19 and name N ) ( resid 19 and name HN ) 1.4300 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 21 and name N ) ( resid 21 and name HN ) -0.7100 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 22 and name N ) ( resid 22 and name HN ) -0.7700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 24 and name N ) ( resid 24 and name HN ) -1.7100 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 25 and name N ) ( resid 25 and name HN ) -4.0300 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 26 and name N ) ( resid 26 and name HN ) -0.9000 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 27 and name N ) ( resid 27 and name HN ) -1.2100 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 28 and name N ) ( resid 28 and name HN ) -2.6600 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 29 and name N ) ( resid 29 and name HN ) -2.0300 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 30 and name N ) ( resid 30 and name HN ) -1.0300 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 31 and name N ) ( resid 31 and name HN ) -0.7100 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 32 and name N ) ( resid 32 and name HN ) -3.0800 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 33 and name N ) ( resid 33 and name HN ) 0.2000 0.2000 !adjusted, was 0.7400 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 35 and name N ) ( resid 35 and name HN ) -0.0700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 36 and name N ) ( resid 36 and name HN ) 1.100 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 37 and name N ) ( resid 37 and name HN ) 2.1100 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 38 and name N ) ( resid 38 and name HN ) 1.1600 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 39 and name N ) ( resid 39 and name HN ) -1.0100 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 41 and name N ) ( resid 41 and name HN ) 1.3800 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 42 and name N ) ( resid 42 and name HN ) -0.1400 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 43 and name N ) ( resid 43 and name HN ) -0.5900 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 44 and name N ) ( resid 44 and name HN ) 0.740 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 45 and name N ) ( resid 45 and name HN ) 0.7400 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 46 and name N ) ( resid 46 and name HN ) -1.1500 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 47 and name N ) ( resid 47 and name HN ) -0.4600 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 48 and name N ) ( resid 48 and name HN ) -1.2100 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 49 and name N ) ( resid 49 and name HN ) -1.5600 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 51 and name N ) ( resid 51 and name HN ) -1.3700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 54 and name N ) ( resid 54 and name HN ) -0.5500 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 55 and name N ) ( resid 55 and name HN ) -0.2700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 56 and name N ) ( resid 56 and name HN ) 1.2200 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 57 and name N ) ( resid 57 and name HN ) -0.3100 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 58 and name N ) ( resid 58 and name HN ) 2.5400 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 59 and name N ) ( resid 59 and name HN ) 4.6800 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 61 and name N ) ( resid 61 and name HN ) 3.4400 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 62 and name N ) ( resid 62 and name HN ) 3.0400 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 63 and name N ) ( resid 63 and name HN ) 0.1700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 64 and name N ) ( resid 64 and name HN ) 3.4200 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 65 and name N ) ( resid 65 and name HN ) 2.9400 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 66 and name N ) ( resid 66 and name HN ) 1.3900 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 67 and name N ) ( resid 67 and name HN ) 0.4700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 68 and name N ) ( resid 68 and name HN ) 7.4900 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 69 and name N ) ( resid 69 and name HN ) 4.4400 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 70 and name N ) ( resid 70 and name HN ) 0.9500 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 71 and name N ) ( resid 71 and name HN ) -3.0700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 74 and name N ) ( resid 74 and name HN ) -1.7500 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 75 and name N ) ( resid 75 and name HN ) -1.6500 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 76 and name N ) ( resid 76 and name HN ) 1.4700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 78 and name N ) ( resid 78 and name HN ) -1.0500 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 81 and name N ) ( resid 81 and name HN ) 3.0700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 82 and name N ) ( resid 82 and name HN ) 0.2100 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 83 and name N ) ( resid 83 and name HN ) 0.7400 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 84 and name N ) ( resid 84 and name HN ) -3.0700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 87 and name N ) ( resid 87 and name HN ) -1.6700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 89 and name N ) ( resid 89 and name HN ) -4.6000 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 90 and name N ) ( resid 90 and name HN ) 3.7000 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 92 and name N ) ( resid 92 and name HN ) 3.2800 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 93 and name N ) ( resid 93 and name HN ) 3.5300 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 94 and name N ) ( resid 94 and name HN ) 5.8300 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 95 and name N ) ( resid 95 and name HN ) 6.1900 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 96 and name N ) ( resid 96 and name HN ) 3.3700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 97 and name N ) ( resid 97 and name HN ) 4.5600 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 98 and name N ) ( resid 98 and name HN ) 6.1800 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 100 and name N ) ( resid 100 and name HN ) 4.4000 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 101 and name N ) ( resid 101 and name HN ) 5.6300 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 102 and name N ) ( resid 102 and name HN ) 5.8900 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 104 and name N ) ( resid 104 and name HN ) 4.4100 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 105 and name N ) ( resid 105 and name HN ) 0.4200 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 107 and name N ) ( resid 107 and name HN ) 3.3100 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 108 and name N ) ( resid 108 and name HN ) -0.0700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 109 and name N ) ( resid 109 and name HN ) -4.3800 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 111 and name N ) ( resid 111 and name HN ) -0.9400 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 112 and name N ) ( resid 112 and name HN ) -0.5300 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 113 and name N ) ( resid 113 and name HN ) -4.400 0.2000 !adjusted, was -4.8900 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 114 and name N ) ( resid 114 and name HN ) -2.8000 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 115 and name N ) ( resid 115 and name HN ) -1.4600 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 116 and name N ) ( resid 116 and name HN ) -4.3700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 117 and name N ) ( resid 117 and name HN ) -4.2000 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 118 and name N ) ( resid 118 and name HN ) -1.1700 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 119 and name N ) ( resid 119 and name HN ) -3.0100 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 120 and name N ) ( resid 120 and name HN ) -3.9000 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 121 and name N ) ( resid 121 and name HN ) -0.8800 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 122 and name N ) ( resid 122 and name HN ) -0.1000 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 123 and name N ) ( resid 123 and name HN ) -0.7600 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 124 and name N ) ( resid 124 and name HN ) -0.3200 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 125 and name N ) ( resid 125 and name HN ) -0.4800 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 126 and name N ) ( resid 126 and name HN ) -0.0900 0.2000 assign ( resid 501 and name 00 ) ( resid 501 and name Z ) ( resid 501 and name X ) ( resid 501 and name Y ) ( resid 127 and name N ) ( resid 127 and name HN ) -0.200 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 1 and name N ) ( resid 1 and name HT1 ) 0.1200 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 2 and name N ) ( resid 2 and name HN ) 0.6100 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 3 and name N ) ( resid 3 and name HN ) 0.5400 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 4 and name N ) ( resid 4 and name HN ) -0.1400 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 5 and name N ) ( resid 5 and name HN ) -1.5300 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 6 and name N ) ( resid 6 and name HN ) -2.7800 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 7 and name N ) ( resid 7 and name HN ) -1.1900 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 8 and name N ) ( resid 8 and name HN ) -0.4400 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 9 and name N ) ( resid 9 and name HN ) -3.0200 0.2000 !adjusted(-3.32) assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 10 and name N ) ( resid 10 and name HN ) -3.7000 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 11 and name N ) ( resid 11 and name HN ) -0.6900 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 12 and name N ) ( resid 12 and name HN ) -1.5700 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 13 and name N ) ( resid 13 and name HN ) -3.1400 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 14 and name N ) ( resid 14 and name HN ) -1.8500 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 15 and name N ) ( resid 15 and name HN ) 0.9700 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 16 and name N ) ( resid 16 and name HN ) -3.5900 0.2000 !adjusted(-3.79) assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 17 and name N ) ( resid 17 and name HN ) -3.4400 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 18 and name N ) ( resid 18 and name HN ) 0.6500 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 19 and name N ) ( resid 19 and name HN ) 0.7400 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 21 and name N ) ( resid 21 and name HN ) 3.7600 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 22 and name N ) ( resid 22 and name HN ) 4.6000 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 23 and name N ) ( resid 23 and name HN ) 2.7200 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 24 and name N ) ( resid 24 and name HN ) 8.0100 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 25 and name N ) ( resid 25 and name HN ) 5.7800 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 26 and name N ) ( resid 26 and name HN ) 5.7600 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 27 and name N ) ( resid 27 and name HN ) 2.1700 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 28 and name N ) ( resid 28 and name HN ) 7.8400 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 29 and name N ) ( resid 29 and name HN ) 7.1700 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 30 and name N ) ( resid 30 and name HN ) 5.1400 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 31 and name N ) ( resid 31 and name HN ) 5.0300 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 32 and name N ) ( resid 32 and name HN ) 6.2100 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 33 and name N ) ( resid 33 and name HN ) 8.1700 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 35 and name N ) ( resid 35 and name HN ) 4.1500 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 36 and name N ) ( resid 36 and name HN ) 5.8400 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 37 and name N ) ( resid 37 and name HN ) 5.4800 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 38 and name N ) ( resid 38 and name HN ) -1.9100 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 39 and name N ) ( resid 39 and name HN ) -3.6700 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 41 and name N ) ( resid 41 and name HN ) -2.5400 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 42 and name N ) ( resid 42 and name HN ) -3.9500 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 43 and name N ) ( resid 43 and name HN ) -5.3100 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 44 and name N ) ( resid 44 and name HN ) -2.7000 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 45 and name N ) ( resid 45 and name HN ) -4.8700 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 46 and name N ) ( resid 46 and name HN ) -10.6100 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 47 and name N ) ( resid 47 and name HN ) -8.4800 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 48 and name N ) ( resid 48 and name HN ) -5.8000 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 49 and name N ) ( resid 49 and name HN ) -7.2800 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 51 and name N ) ( resid 51 and name HN ) -5.6700 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 53 and name N ) ( resid 53 and name HN ) -7.7100 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 54 and name N ) ( resid 54 and name HN ) -8.5800 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 55 and name N ) ( resid 55 and name HN ) -3.9900 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 56 and name N ) ( resid 56 and name HN ) 1.2900 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 57 and name N ) ( resid 57 and name HN ) -4.0100 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 58 and name N ) ( resid 58 and name HN ) -3.4300 0.2000 assign ( resid 500 and name 00 ) ( resid 500 and name Z ) ( resid 500 and name X ) ( resid 500 and name Y ) ( resid 59 and name N ) ( 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