NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
27390 |
2rly   |
11007 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! derived from the NOESYfile(s)
assign ( resid 12 and name HA)
( resid 12 and name HN)
6.0 0.1 0.1 peak 2 volume 1.289e+03
assign ( resid 12 and name HA)
( resid 13 and name HN)
6.0 0.1 0.1 peak 3 volume 6.339e+03
assign ( resid 12 and name HA)
( resid 19 and name HN)
6.0 0.1 0.1 peak 4 volume 1.173e+03
assign ( resid 13 and name HA)
( resid 13 and name HN)
6.0 0.1 0.1 peak 7 volume 1.008e+03
assign ( resid 13 and name HG2#)
( resid 13 and name HN)
6.0 0.1 0.1 peak 8 volume 3.313e+03
assign ( resid 12 and name HA)
( resid 12 and name HA)
6.0 0.1 0.1 peak 9 volume 2.141e+03
assign ( resid 21 and name HA)
( resid 21 and name HN)
6.0 0.1 0.1 peak 11 volume 9.910e+02
assign ( resid 28 and name HA)
( resid 28 and name HN)
6.0 0.1 0.1 peak 12 volume 8.700e+02
assign ( resid 28 and name HA)
( resid 29 and name HN)
6.0 0.1 0.1 peak 13 volume 3.297e+03
assign ( resid 28 and name HA)
( resid 22 and name HN)
6.0 0.1 0.1 peak 14 volume 5.900e+02
assign ( resid 21 and name HA)
( resid 22 and name HN)
6.0 0.1 0.1 peak 15 volume 3.772e+03
assign ( resid 20 and name HA)
( resid 21 and name HN)
6.0 0.1 0.1 peak 16 volume 3.800e+03
assign ( resid 20 and name HA)
( resid 20 and name HN)
6.0 0.1 0.1 peak 17 volume 8.650e+02
assign ( resid 20 and name HA)
( resid 11 and name HN)
6.0 0.1 0.1 peak 18 volume 8.810e+02
assign ( resid 11 and name HA)
( resid 12 and name HN)
6.0 0.1 0.1 peak 19 volume 5.455e+03
assign ( resid 11 and name HA)
( resid 11 and name HN)
6.0 0.1 0.1 peak 20 volume 1.277e+03
assign ( resid 28 and name HA)
( resid 28 and name HA)
6.0 0.1 0.1 peak 21 volume 4.973e+03
assign ( resid 21 and name HA)
( resid 28 and name HA)
6.0 0.1 0.1 peak 22 volume 1.062e+03
assign ( resid 21 and name HA)
( resid 21 and name HA)
6.0 0.1 0.1 peak 23 volume 1.934e+03
assign ( resid 18 and name HA)
( resid 12 and name HA)
6.0 0.1 0.1 peak 24 volume 4.470e+02
assign ( resid 19 and name HA)
( resid 19 and name HN)
6.0 0.1 0.1 peak 25 volume 1.427e+03
assign ( resid 19 and name HA)
( resid 20 and name HN)
6.0 0.1 0.1 peak 26 volume 3.345e+03
assign ( resid 18 and name HA)
( resid 19 and name HN)
6.0 0.1 0.1 peak 27 volume 7.226e+03
assign ( resid 30 and name HA)
( resid 30 and name HN)
6.0 0.1 0.1 peak 28 volume 1.124e+03
assign ( resid 8 and name HA)
( resid 8 and name HN)
6.0 0.1 0.1 peak 29 volume 1.148e+03
assign ( resid 8 and name HA)
( resid 9 and name HN)
6.0 0.1 0.1 peak 30 volume 4.152e+03
assign ( resid 9 and name HA)
( resid 9 and name HN)
6.0 0.1 0.1 peak 31 volume 1.053e+03
assign ( resid 9 and name HB)
( resid 9 and name HN)
6.0 0.1 0.1 peak 32 volume 1.695e+03
assign ( resid 22 and name HA)
( resid 9 and name HN)
6.0 0.1 0.1 peak 33 volume 5.540e+02
assign ( resid 9 and name HB)
( resid 10 and name HN)
6.0 0.1 0.1 peak 34 volume 9.112e+03
assign ( resid 9 and name HA)
( resid 10 and name HN)
6.0 0.1 0.1 peak 35 volume 7.726e+03
assign ( resid 10 and name HA)
( resid 10 and name HN)
6.0 0.1 0.1 peak 36 volume 1.225e+03
assign ( resid 10 and name HA)
( resid 11 and name HN)
6.0 0.1 0.1 peak 37 volume 5.809e+03
assign ( resid 10 and name HA)
( resid 21 and name HN)
6.0 0.1 0.1 peak 38 volume 5.440e+02
assign ( resid 29 and name HB)
( resid 29 and name HN)
6.0 0.1 0.1 peak 39 volume 7.850e+02
assign ( resid 29 and name HA)
( resid 29 and name HN)
6.0 0.1 0.1 peak 40 volume 1.194e+03
assign ( resid 28 and name HB2)
( resid 29 and name HN)
6.0 0.1 0.1 peak 41 volume 1.584e+03
assign ( resid 8 and name HA)
( resid 23 and name HN)
6.0 0.1 0.1 peak 42 volume 9.670e+02
assign ( resid 22 and name HA)
( resid 23 and name HN)
6.0 0.1 0.1 peak 43 volume 5.182e+03
assign ( resid 22 and name HA)
( resid 22 and name HN)
6.0 0.1 0.1 peak 44 volume 9.610e+02
assign ( resid 23 and name HA)
( resid 23 and name HN)
6.0 0.1 0.1 peak 45 volume 1.920e+03
assign ( resid 23 and name HA)
( resid 24 and name HN)
6.0 0.1 0.1 peak 46 volume 8.250e+02
assign ( resid 24 and name HA)
( resid 24 and name HN)
6.0 0.1 0.1 peak 47 volume 1.954e+03
assign ( resid 24 and name HA)
( resid 25 and name HN)
6.0 0.1 0.1 peak 48 volume 7.950e+02
assign ( resid 25 and name HA)
( resid 25 and name HN)
6.0 0.1 0.1 peak 49 volume 1.474e+03
assign ( resid 26 and name HA)
( resid 26 and name HN)
6.0 0.1 0.1 peak 51 volume 4.124e+03
assign ( resid 25 and name HA)
( resid 26 and name HN)
6.0 0.1 0.1 peak 52 volume 8.270e+02
assign ( resid 37 and name HA)
( resid 37 and name HN)
6.0 0.1 0.1 peak 53 volume 2.107e+03
assign ( resid 36 and name HA)
( resid 37 and name HN)
6.0 0.1 0.1 peak 54 volume 2.570e+03
assign ( resid 36 and name HA)
( resid 36 and name HN)
6.0 0.1 0.1 peak 55 volume 1.225e+03
assign ( resid 27 and name HA)
( resid 27 and name HN)
6.0 0.1 0.1 peak 56 volume 1.968e+03
assign ( resid 26 and name HA)
( resid 27 and name HN)
6.0 0.1 0.1 peak 57 volume 1.141e+03
assign ( resid 28 and name HB2)
( resid 28 and name HA)
6.0 0.1 0.1 peak 58 volume 1.287e+03
assign ( resid 28 and name HB2)
( resid 28 and name HN)
6.0 0.1 0.1 peak 59 volume 1.996e+03
assign ( resid 30 and name HB2)
( resid 30 and name HN)
6.0 0.1 0.1 peak 60 volume 1.110e+03
assign ( resid 29 and name HA)
( resid 30 and name HN)
6.0 0.1 0.1 peak 61 volume 4.414e+03
assign ( resid 17 and name HA)
( resid 17 and name HN)
6.0 0.1 0.1 peak 62 volume 1.544e+03
assign ( resid 17 and name HA)
( resid 18 and name HN)
6.0 0.1 0.1 peak 63 volume 7.033e+03
assign ( resid 18 and name HA)
( resid 18 and name HN)
6.0 0.1 0.1 peak 64 volume 2.743e+03
assign ( resid 6 and name HA)
( resid 7 and name HN)
6.0 0.1 0.1 peak 65 volume 6.684e+03
assign ( resid 7 and name HA)
( resid 7 and name HN)
6.0 0.1 0.1 peak 66 volume 1.976e+03
assign ( resid 7 and name HA)
( resid 8 and name HN)
6.0 0.1 0.1 peak 67 volume 2.303e+03
assign ( resid 6 and name HB2)
( resid 7 and name HN)
6.0 0.1 0.1 peak 68 volume 6.910e+02
assign ( resid 6 and name HB1)
( resid 7 and name HN)
6.0 0.1 0.1 peak 69 volume 7.450e+02
assign ( resid 6 and name HB1)
( resid 6 and name HN)
6.0 0.1 0.1 peak 70 volume 2.195e+03
assign ( resid 6 and name HB2)
( resid 6 and name HN)
6.0 0.1 0.1 peak 71 volume 1.914e+03
assign ( resid 6 and name HA)
( resid 6 and name HN)
6.0 0.1 0.1 peak 72 volume 1.846e+03
assign ( resid 5 and name HA)
( resid 6 and name HN)
6.0 0.1 0.1 peak 73 volume 8.192e+03
assign ( resid 5 and name HA)
( resid 5 and name HN)
6.0 0.1 0.1 peak 74 volume 1.999e+03
assign ( resid 4 and name HA)
( resid 5 and name HN)
6.0 0.1 0.1 peak 75 volume 1.109e+04
assign ( resid 4 and name HA)
( resid 4 and name HN)
6.0 0.1 0.1 peak 76 volume 2.048e+03
assign ( resid 18 and name HB)
( resid 18 and name HN)
6.0 0.1 0.1 peak 77 volume 4.414e+03
assign ( resid 6 and name HB1)
( resid 8 and name HN)
6.0 0.1 0.1 peak 78 volume 7.390e+02
assign ( resid 6 and name HB2)
( resid 8 and name HN)
6.0 0.1 0.1 peak 79 volume 4.030e+02
assign ( resid 6 and name HA)
( resid 8 and name HN)
6.0 0.1 0.1 peak 80 volume 8.960e+02
assign ( resid 13 and name HB)
( resid 13 and name HN)
6.0 0.1 0.1 peak 81 volume 2.079e+03
assign ( resid 13 and name HB)
( resid 14 and name HN)
6.0 0.1 0.1 peak 82 volume 3.692e+03
assign ( resid 14 and name HA)
( resid 14 and name HN)
6.0 0.1 0.1 peak 83 volume 1.662e+03
assign ( resid 27 and name HA)
( resid 28 and name HN)
6.0 0.1 0.1 peak 84 volume 7.328e+03
assign ( resid 31 and name HA)
( resid 31 and name HN)
6.0 0.1 0.1 peak 85 volume 1.343e+03
assign ( resid 30 and name HB2)
( resid 31 and name HN)
6.0 0.1 0.1 peak 86 volume 4.490e+02
assign ( resid 15 and name HA)
( resid 15 and name HN)
6.0 0.1 0.1 peak 87 volume 2.719e+03
assign ( resid 13 and name HA)
( resid 14 and name HN)
6.0 0.1 0.1 peak 88 volume 2.646e+03
assign ( resid 18 and name HA)
( resid 13 and name HN)
6.0 0.1 0.1 peak 89 volume 8.230e+02
assign ( resid 14 and name HA)
( resid 15 and name HN)
6.0 0.1 0.1 peak 90 volume 1.079e+03
assign ( resid 15 and name HA)
( resid 16 and name HN)
6.0 0.1 0.1 peak 91 volume 1.897e+03
assign ( resid 16 and name HA2)
( resid 16 and name HN)
6.0 0.1 0.1 peak 92 volume 3.249e+03
assign ( resid 16 and name HA1)
( resid 16 and name HN)
6.0 0.1 0.1 peak 93 volume 3.398e+03
assign ( resid 35 and name HA)
( resid 35 and name HN)
6.0 0.1 0.1 peak 94 volume 2.073e+03
assign ( resid 34 and name HA)
( resid 35 and name HN)
6.0 0.1 0.1 peak 95 volume 1.674e+03
assign ( resid 33 and name HA)
( resid 35 and name HN)
6.0 0.1 0.1 peak 96 volume 5.140e+02
assign ( resid 34 and name HA)
( resid 34 and name HN)
6.0 0.1 0.1 peak 97 volume 2.847e+03
assign ( resid 33 and name HA)
( resid 34 and name HN)
6.0 0.1 0.1 peak 98 volume 5.752e+03
assign ( resid 35 and name HA)
( resid 36 and name HN)
6.0 0.1 0.1 peak 100 volume 1.678e+03
assign ( resid 4 and name HB#)
( resid 4 and name HN)
6.0 0.1 0.1 peak 101 volume 4.141e+03
assign ( resid 4 and name HB#)
( resid 5 and name HN)
6.0 0.1 0.1 peak 102 volume 2.036e+03
assign ( resid 5 and name HG1#)
( resid 5 and name HN)
6.0 0.1 0.1 peak 103 volume 3.104e+03
assign ( resid 5 and name HG1#)
( resid 6 and name HN)
6.0 0.1 0.1 peak 104 volume 1.596e+03
assign ( resid 7 and name HG2)
( resid 7 and name HN)
6.0 0.1 0.1 peak 105 volume 1.371e+03
assign ( resid 7 and name HB2)
( resid 7 and name HN)
6.0 0.1 0.1 peak 106 volume 1.069e+03
assign ( resid 7 and name HB1)
( resid 7 and name HN)
6.0 0.1 0.1 peak 107 volume 1.265e+03
assign ( resid 7 and name HB1)
( resid 8 and name HN)
6.0 0.1 0.1 peak 108 volume 3.950e+02
assign ( resid 7 and name HB2)
( resid 8 and name HN)
6.0 0.1 0.1 peak 109 volume 4.700e+02
assign ( resid 5 and name HB)
( resid 5 and name HN)
6.0 0.1 0.1 peak 110 volume 2.187e+03
assign ( resid 5 and name HB)
( resid 6 and name HN)
6.0 0.1 0.1 peak 111 volume 9.210e+02
assign ( resid 5 and name HA)
( resid 5 and name HA)
6.0 0.1 0.1 peak 112 volume 1.548e+04
assign ( resid 5 and name HA)
( resid 5 and name HB)
6.0 0.1 0.1 peak 113 volume 1.441e+03
assign ( resid 5 and name HA)
( resid 5 and name HG1#)
6.0 0.1 0.1 peak 114 volume 5.069e+03
assign ( resid 5 and name HB)
( resid 5 and name HG1#)
6.0 0.1 0.1 peak 115 volume 8.760e+03
assign ( resid 5 and name HG1#)
( resid 5 and name HG1#)
6.0 0.1 0.1 peak 116 volume 4.967e+05
assign ( resid 6 and name HA)
( resid 6 and name HA)
6.0 0.1 0.1 peak 117 volume 1.502e+04
assign ( resid 6 and name HA)
( resid 6 and name HB2)
6.0 0.1 0.1 peak 118 volume 1.263e+03
assign ( resid 6 and name HA)
( resid 6 and name HB1)
6.0 0.1 0.1 peak 119 volume 1.160e+03
assign ( resid 6 and name HB2)
( resid 6 and name HB2)
6.0 0.1 0.1 peak 120 volume 6.162e+03
assign ( resid 6 and name HB2)
( resid 6 and name HB1)
6.0 0.1 0.1 peak 121 volume 3.828e+03
assign ( resid 6 and name HB1)
( resid 6 and name HB1)
6.0 0.1 0.1 peak 122 volume 3.227e+04
assign ( resid 7 and name HA)
( resid 7 and name HA)
6.0 0.1 0.1 peak 123 volume 3.527e+04
assign ( resid 7 and name HA)
( resid 7 and name HG2)
6.0 0.1 0.1 peak 124 volume 1.556e+03
assign ( resid 7 and name HA)
( resid 7 and name HB2)
6.0 0.1 0.1 peak 125 volume 1.979e+03
assign ( resid 7 and name HA)
( resid 7 and name HB1)
6.0 0.1 0.1 peak 126 volume 1.798e+03
assign ( resid 7 and name HG2)
( resid 7 and name HG2)
6.0 0.1 0.1 peak 127 volume 7.472e+04
assign ( resid 7 and name HG2)
( resid 7 and name HB1)
6.0 0.1 0.1 peak 128 volume 1.494e+03
assign ( resid 7 and name HG2)
( resid 7 and name HB2)
6.0 0.1 0.1 peak 129 volume 1.616e+03
assign ( resid 8 and name HA)
( resid 8 and name HB2)
6.0 0.1 0.1 peak 130 volume 9.350e+02
assign ( resid 8 and name HA)
( resid 8 and name HB1)
6.0 0.1 0.1 peak 131 volume 1.285e+03
assign ( resid 8 and name HB2)
( resid 8 and name HN)
6.0 0.1 0.1 peak 132 volume 1.803e+03
assign ( resid 8 and name HB1)
( resid 8 and name HN)
6.0 0.1 0.1 peak 133 volume 1.586e+03
assign ( resid 8 and name HB2)
( resid 8 and name HB2)
6.0 0.1 0.1 peak 134 volume 4.709e+03
assign ( resid 8 and name HB2)
( resid 8 and name HB1)
6.0 0.1 0.1 peak 135 volume 4.203e+03
assign ( resid 8 and name HB1)
( resid 8 and name HB1)
6.0 0.1 0.1 peak 136 volume 1.215e+04
assign ( resid 8 and name HB2)
( resid 9 and name HN)
6.0 0.1 0.1 peak 137 volume 5.040e+02
assign ( resid 8 and name HB1)
( resid 9 and name HN)
6.0 0.1 0.1 peak 138 volume 1.068e+03
assign ( resid 9 and name HG2#)
( resid 9 and name HN)
6.0 0.1 0.1 peak 139 volume 6.870e+02
assign ( resid 9 and name HG2#)
( resid 10 and name HN)
6.0 0.1 0.1 peak 140 volume 2.900e+03
assign ( resid 9 and name HA)
( resid 9 and name HA)
6.0 0.1 0.1 peak 141 volume 1.327e+04
assign ( resid 9 and name HA)
( resid 9 and name HB)
6.0 0.1 0.1 peak 142 volume 7.770e+02
assign ( resid 9 and name HA)
( resid 9 and name HG2#)
6.0 0.1 0.1 peak 143 volume 3.800e+03
assign ( resid 9 and name HB)
( resid 9 and name HG2#)
6.0 0.1 0.1 peak 144 volume 7.180e+03
assign ( resid 9 and name HG2#)
( resid 9 and name HG2#)
6.0 0.1 0.1 peak 145 volume 2.731e+05
assign ( resid 10 and name HG1)
( resid 10 and name HN)
6.0 0.1 0.1 peak 146 volume 3.241e+03
assign ( resid 10 and name HB2)
( resid 10 and name HN)
6.0 0.1 0.1 peak 147 volume 5.326e+03
assign ( resid 10 and name HG2)
( resid 10 and name HN)
6.0 0.1 0.1 peak 148 volume 2.763e+03
assign ( resid 10 and name HA)
( resid 10 and name HA)
6.0 0.1 0.1 peak 149 volume 6.098e+03
assign ( resid 10 and name HG2)
( resid 10 and name HB2)
6.0 0.1 0.1 peak 150 volume 1.218e+03
assign ( resid 10 and name HA)
( resid 10 and name HB2)
6.0 0.1 0.1 peak 151 volume 5.302e+03
assign ( resid 10 and name HB2)
( resid 11 and name HN)
6.0 0.1 0.1 peak 152 volume 2.578e+03
assign ( resid 11 and name HB2)
( resid 11 and name HN)
6.0 0.1 0.1 peak 153 volume 9.060e+02
assign ( resid 11 and name HB1)
( resid 11 and name HN)
6.0 0.1 0.1 peak 154 volume 1.053e+03
assign ( resid 11 and name HA)
( resid 11 and name HA)
6.0 0.1 0.1 peak 155 volume 1.688e+03
assign ( resid 11 and name HA)
( resid 11 and name HB2)
6.0 0.1 0.1 peak 156 volume 2.099e+03
assign ( resid 11 and name HA)
( resid 11 and name HB1)
6.0 0.1 0.1 peak 157 volume 1.235e+03
assign ( resid 11 and name HB2)
( resid 11 and name HB2)
6.0 0.1 0.1 peak 159 volume 2.683e+04
assign ( resid 11 and name HB2)
( resid 11 and name HB1)
6.0 0.1 0.1 peak 160 volume 4.357e+03
assign ( resid 11 and name HB1)
( resid 11 and name HB1)
6.0 0.1 0.1 peak 161 volume 6.526e+04
assign ( resid 11 and name HB2)
( resid 12 and name HN)
6.0 0.1 0.1 peak 162 volume 2.096e+03
assign ( resid 11 and name HB1)
( resid 12 and name HN)
6.0 0.1 0.1 peak 163 volume 1.151e+03
assign ( resid 11 and name HE#)
( resid 11 and name HE#)
6.0 0.1 0.1 peak 164 volume 4.390e+04
assign ( resid 11 and name HE#)
( resid 11 and name HD#)
6.0 0.1 0.1 peak 165 volume 1.577e+04
assign ( resid 11 and name HA)
( resid 11 and name HD#)
6.0 0.1 0.1 peak 166 volume 2.033e+03
assign ( resid 11 and name HB2)
( resid 11 and name HD#)
6.0 0.1 0.1 peak 167 volume 1.931e+03
assign ( resid 11 and name HB1)
( resid 11 and name HD#)
6.0 0.1 0.1 peak 168 volume 1.755e+03
assign ( resid 11 and name HA)
( resid 11 and name HE#)
6.0 0.1 0.1 peak 169 volume 2.740e+02
assign ( resid 11 and name HB2)
( resid 11 and name HE#)
6.0 0.1 0.1 peak 170 volume 2.970e+02
assign ( resid 11 and name HB1)
( resid 11 and name HE#)
6.0 0.1 0.1 peak 171 volume 2.420e+02
assign ( resid 9 and name HG2#)
( resid 11 and name HD#)
6.0 0.1 0.1 peak 172 volume 8.370e+02
assign ( resid 9 and name HG2#)
( resid 11 and name HE#)
6.0 0.1 0.1 peak 173 volume 8.910e+02
assign ( resid 11 and name HD#)
( resid 11 and name HD#)
6.0 0.1 0.1 peak 174 volume 5.354e+04
assign ( resid 12 and name HG2)
( resid 12 and name HN)
6.0 0.1 0.1 peak 175 volume 8.510e+02
assign ( resid 12 and name HB2)
( resid 12 and name HN)
6.0 0.1 0.1 peak 176 volume 1.550e+03
assign ( resid 12 and name HB1)
( resid 12 and name HN)
6.0 0.1 0.1 peak 177 volume 7.460e+02
assign ( resid 12 and name HG2)
( resid 13 and name HN)
6.0 0.1 0.1 peak 178 volume 7.940e+02
assign ( resid 12 and name HB2)
( resid 13 and name HN)
6.0 0.1 0.1 peak 179 volume 5.600e+02
assign ( resid 12 and name HB1)
( resid 13 and name HN)
6.0 0.1 0.1 peak 180 volume 6.660e+02
assign ( resid 12 and name HA)
( resid 12 and name HG2)
6.0 0.1 0.1 peak 181 volume 1.423e+03
assign ( resid 12 and name HA)
( resid 12 and name HB2)
6.0 0.1 0.1 peak 182 volume 1.166e+03
assign ( resid 12 and name HA)
( resid 12 and name HB1)
6.0 0.1 0.1 peak 183 volume 1.347e+03
assign ( resid 12 and name HG2)
( resid 12 and name HG2)
6.0 0.1 0.1 peak 184 volume 3.204e+04
assign ( resid 12 and name HG2)
( resid 12 and name HB2)
6.0 0.1 0.1 peak 185 volume 4.022e+03
assign ( resid 12 and name HG2)
( resid 12 and name HB1)
6.0 0.1 0.1 peak 186 volume 1.806e+03
assign ( resid 12 and name HB2)
( resid 12 and name HB2)
6.0 0.1 0.1 peak 187 volume 1.684e+04
assign ( resid 12 and name HB2)
( resid 12 and name HB1)
6.0 0.1 0.1 peak 188 volume 2.025e+03
assign ( resid 12 and name HA)
( resid 13 and name HG2#)
6.0 0.1 0.1 peak 189 volume 8.900e+02
assign ( resid 12 and name HD2)
( resid 12 and name HD2)
6.0 0.1 0.1 peak 191 volume 1.055e+05
assign ( resid 12 and name HD2)
( resid 12 and name HG2)
6.0 0.1 0.1 peak 192 volume 1.730e+02
assign ( resid 12 and name HD2)
( resid 12 and name HB2)
6.0 0.1 0.1 peak 193 volume 5.350e+02
assign ( resid 12 and name HD2)
( resid 12 and name HB1)
6.0 0.1 0.1 peak 194 volume 1.580e+03
assign ( resid 14 and name HB#)
( resid 14 and name HN)
6.0 0.1 0.1 peak 195 volume 3.919e+03
assign ( resid 13 and name HB)
( resid 13 and name HB)
6.0 0.1 0.1 peak 196 volume 2.988e+03
assign ( resid 13 and name HB)
( resid 13 and name HG2#)
6.0 0.1 0.1 peak 197 volume 3.726e+03
assign ( resid 13 and name HA)
( resid 13 and name HG2#)
6.0 0.1 0.1 peak 198 volume 4.203e+03
assign ( resid 14 and name HA)
( resid 14 and name HA)
6.0 0.1 0.1 peak 199 volume 1.372e+04
assign ( resid 14 and name HA)
( resid 14 and name HB#)
6.0 0.1 0.1 peak 200 volume 8.907e+03
assign ( resid 14 and name HB#)
( resid 15 and name HN)
6.0 0.1 0.1 peak 201 volume 1.897e+03
assign ( resid 15 and name HB2)
( resid 15 and name HN)
6.0 0.1 0.1 peak 202 volume 1.147e+03
assign ( resid 15 and name HB1)
( resid 15 and name HN)
6.0 0.1 0.1 peak 203 volume 1.211e+03
assign ( resid 15 and name HB2)
( resid 16 and name HN)
6.0 0.1 0.1 peak 204 volume 2.690e+02
assign ( resid 15 and name HA)
( resid 15 and name HB2)
6.0 0.1 0.1 peak 206 volume 3.245e+03
assign ( resid 15 and name HA)
( resid 15 and name HB1)
6.0 0.1 0.1 peak 207 volume 3.579e+03
assign ( resid 15 and name HB2)
( resid 15 and name HB1)
6.0 0.1 0.1 peak 208 volume 6.660e+03
assign ( resid 15 and name HB2)
( resid 15 and name HB2)
6.0 0.1 0.1 peak 209 volume 4.094e+04
assign ( resid 16 and name HA2)
( resid 17 and name HN)
6.0 0.1 0.1 peak 210 volume 6.750e+02
assign ( resid 16 and name HA1)
( resid 17 and name HN)
6.0 0.1 0.1 peak 211 volume 7.400e+02
assign ( resid 16 and name HA2)
( resid 16 and name HA1)
6.0 0.1 0.1 peak 213 volume 3.533e+03
assign ( resid 16 and name HA1)
( resid 16 and name HA1)
6.0 0.1 0.1 peak 214 volume 1.500e+04
assign ( resid 17 and name HB2)
( resid 17 and name HN)
6.0 0.1 0.1 peak 215 volume 2.723e+03
assign ( resid 17 and name HG2)
( resid 17 and name HN)
6.0 0.1 0.1 peak 216 volume 5.680e+02
assign ( resid 17 and name HB1)
( resid 17 and name HN)
6.0 0.1 0.1 peak 217 volume 1.033e+03
assign ( resid 17 and name HB2)
( resid 18 and name HN)
6.0 0.1 0.1 peak 218 volume 1.917e+03
assign ( resid 17 and name HG2)
( resid 18 and name HN)
6.0 0.1 0.1 peak 219 volume 2.940e+02
assign ( resid 17 and name HB1)
( resid 18 and name HN)
6.0 0.1 0.1 peak 220 volume 7.140e+02
assign ( resid 17 and name HA)
( resid 17 and name HB2)
6.0 0.1 0.1 peak 222 volume 3.422e+03
assign ( resid 17 and name HA)
( resid 17 and name HG2)
6.0 0.1 0.1 peak 223 volume 4.380e+02
assign ( resid 17 and name HA)
( resid 17 and name HB1)
6.0 0.1 0.1 peak 224 volume 1.552e+03
assign ( resid 17 and name HB2)
( resid 17 and name HB2)
6.0 0.1 0.1 peak 225 volume 7.472e+04
assign ( resid 17 and name HB2)
( resid 17 and name HG2)
6.0 0.1 0.1 peak 226 volume 1.063e+03
assign ( resid 17 and name HB2)
( resid 17 and name HB1)
6.0 0.1 0.1 peak 227 volume 1.800e+03
assign ( resid 17 and name HB2)
( resid 17 and name HB2)
6.0 0.1 0.1 peak 228 volume 7.472e+04
assign ( resid 17 and name HB1)
( resid 17 and name HB1)
6.0 0.1 0.1 peak 229 volume 6.126e+04
assign ( resid 18 and name HA)
( resid 18 and name HB)
6.0 0.1 0.1 peak 231 volume 7.520e+02
assign ( resid 18 and name HA)
( resid 18 and name HG2#)
6.0 0.1 0.1 peak 232 volume 3.601e+03
assign ( resid 18 and name HB)
( resid 18 and name HG2#)
6.0 0.1 0.1 peak 233 volume 8.282e+03
assign ( resid 18 and name HG2#)
( resid 18 and name HG2#)
6.0 0.1 0.1 peak 234 volume 2.026e+05
assign ( resid 18 and name HG2#)
( resid 18 and name HN)
6.0 0.1 0.1 peak 235 volume 1.745e+03
assign ( resid 18 and name HG2#)
( resid 19 and name HN)
6.0 0.1 0.1 peak 236 volume 3.390e+03
assign ( resid 19 and name HD#)
( resid 19 and name HD#)
6.0 0.1 0.1 peak 237 volume 5.245e+04
assign ( resid 19 and name HE#)
( resid 19 and name HD#)
6.0 0.1 0.1 peak 238 volume 1.150e+04
assign ( resid 19 and name HA)
( resid 19 and name HD#)
6.0 0.1 0.1 peak 239 volume 1.596e+03
assign ( resid 19 and name HB2)
( resid 20 and name HN)
6.0 0.1 0.1 peak 240 volume 1.327e+03
assign ( resid 19 and name HB1)
( resid 20 and name HN)
6.0 0.1 0.1 peak 241 volume 1.686e+03
assign ( resid 19 and name HB2)
( resid 19 and name HN)
6.0 0.1 0.1 peak 242 volume 4.120e+02
assign ( resid 19 and name HB1)
( resid 19 and name HN)
6.0 0.1 0.1 peak 243 volume 4.980e+02
assign ( resid 19 and name HB2)
( resid 19 and name HD#)
6.0 0.1 0.1 peak 244 volume 2.715e+03
assign ( resid 19 and name HB1)
( resid 19 and name HD#)
6.0 0.1 0.1 peak 245 volume 2.904e+03
assign ( resid 19 and name HE#)
( resid 19 and name HE#)
6.0 0.1 0.1 peak 246 volume 5.116e+04
assign ( resid 19 and name HB2)
( resid 19 and name HE#)
6.0 0.1 0.1 peak 249 volume 3.190e+02
assign ( resid 27 and name HG2)
( resid 19 and name HE#)
6.0 0.1 0.1 peak 250 volume 3.980e+02
assign ( resid 19 and name HA)
( resid 19 and name HB2)
6.0 0.1 0.1 peak 251 volume 2.490e+03
assign ( resid 19 and name HA)
( resid 19 and name HB1)
6.0 0.1 0.1 peak 252 volume 2.530e+03
assign ( resid 19 and name HB2)
( resid 19 and name HB2)
6.0 0.1 0.1 peak 253 volume 3.227e+04
assign ( resid 19 and name HB2)
( resid 19 and name HB1)
6.0 0.1 0.1 peak 254 volume 1.758e+03
assign ( resid 20 and name HB2)
( resid 20 and name HN)
6.0 0.1 0.1 peak 255 volume 1.387e+03
assign ( resid 20 and name HB2)
( resid 21 and name HN)
6.0 0.1 0.1 peak 256 volume 9.140e+02
assign ( resid 20 and name HA)
( resid 20 and name HD#)
6.0 0.1 0.1 peak 257 volume 1.620e+03
assign ( resid 20 and name HB2)
( resid 20 and name HD#)
6.0 0.1 0.1 peak 258 volume 4.949e+03
assign ( resid 20 and name HA)
( resid 20 and name HE#)
6.0 0.1 0.1 peak 259 volume 5.610e+02
assign ( resid 20 and name HB2)
( resid 20 and name HE#)
6.0 0.1 0.1 peak 260 volume 2.121e+03
assign ( resid 20 and name HD#)
( resid 20 and name HD#)
6.0 0.1 0.1 peak 261 volume 4.088e+04
assign ( resid 20 and name HD#)
( resid 20 and name HE#)
6.0 0.1 0.1 peak 262 volume 1.420e+04
assign ( resid 20 and name HE#)
( resid 20 and name HE#)
6.0 0.1 0.1 peak 263 volume 9.397e+04
assign ( resid 20 and name HE#)
( resid 20 and name HD#)
6.0 0.1 0.1 peak 264 volume 1.271e+04
assign ( resid 20 and name HA)
( resid 20 and name HB2)
6.0 0.1 0.1 peak 265 volume 1.846e+03
assign ( resid 21 and name HB2)
( resid 21 and name HN)
6.0 0.1 0.1 peak 266 volume 1.713e+03
assign ( resid 21 and name HB2)
( resid 22 and name HN)
6.0 0.1 0.1 peak 267 volume 7.720e+02
assign ( resid 21 and name HB2)
( resid 21 and name HD#)
6.0 0.1 0.1 peak 269 volume 4.732e+03
assign ( resid 21 and name HE#)
( resid 21 and name HD#)
6.0 0.1 0.1 peak 270 volume 1.466e+04
assign ( resid 21 and name HD#)
( resid 21 and name HD#)
6.0 0.1 0.1 peak 271 volume 6.281e+04
assign ( resid 21 and name HD#)
( resid 21 and name HE#)
6.0 0.1 0.1 peak 272 volume 1.014e+04
assign ( resid 21 and name HA)
( resid 21 and name HE#)
6.0 0.1 0.1 peak 273 volume 3.100e+02
assign ( resid 21 and name HB2)
( resid 21 and name HE#)
6.0 0.1 0.1 peak 274 volume 5.490e+02
assign ( resid 22 and name HB2)
( resid 23 and name HN)
6.0 0.1 0.1 peak 275 volume 3.130e+02
assign ( resid 22 and name HB1)
( resid 23 and name HN)
6.0 0.1 0.1 peak 276 volume 4.140e+02
assign ( resid 22 and name HB2)
( resid 22 and name HN)
6.0 0.1 0.1 peak 277 volume 1.425e+03
assign ( resid 22 and name HB1)
( resid 22 and name HN)
6.0 0.1 0.1 peak 278 volume 1.212e+03
assign ( resid 22 and name HA)
( resid 22 and name HB2)
6.0 0.1 0.1 peak 280 volume 9.040e+02
assign ( resid 22 and name HA)
( resid 22 and name HB1)
6.0 0.1 0.1 peak 281 volume 8.560e+02 4
assign ( resid 22 and name HB2)
( resid 22 and name HB2)
6.0 0.1 0.1 peak 282 volume 5.511e+03
assign ( resid 22 and name HB2)
( resid 22 and name HB1)
6.0 0.1 0.1 peak 283 volume 2.329e+03 4
assign ( resid 22 and name HB1)
( resid 22 and name HB1)
6.0 0.1 0.1 peak 284 volume 3.527e+03 14
assign ( resid 22 and name HN)
( resid 22 and name HN)
6.0 0.1 0.1 peak 285 volume 2.070e+04
assign ( resid 23 and name HD21)
( resid 23 and name HD21)
6.0 0.1 0.1 peak 286 volume 9.410e+04
assign ( resid 23 and name HD22)
( resid 23 and name HD21)
6.0 0.1 0.1 peak 287 volume 7.896e+03
assign ( resid 23 and name HD22)
( resid 23 and name HD22)
6.0 0.1 0.1 peak 288 volume 2.780e+04
assign ( resid 23 and name HA)
( resid 23 and name HD21)
6.0 0.1 0.1 peak 289 volume 6.190e+02
assign ( resid 23 and name HB2)
( resid 23 and name HD21)
6.0 0.1 0.1 peak 290 volume 1.419e+03
assign ( resid 23 and name HB1)
( resid 23 and name HD21)
6.0 0.1 0.1 peak 291 volume 1.636e+03
assign ( resid 23 and name HA)
( resid 23 and name HD22)
6.0 0.1 0.1 peak 292 volume 2.900e+02
assign ( resid 23 and name HB2)
( resid 23 and name HD22)
6.0 0.1 0.1 peak 293 volume 6.280e+02
assign ( resid 23 and name HB1)
( resid 23 and name HD22)
6.0 0.1 0.1 peak 294 volume 5.420e+02
assign ( resid 23 and name HB2)
( resid 23 and name HN)
6.0 0.1 0.1 peak 295 volume 1.556e+03
assign ( resid 23 and name HB1)
( resid 23 and name HN)
6.0 0.1 0.1 peak 296 volume 1.840e+03
assign ( resid 23 and name HA)
( resid 23 and name HA)
6.0 0.1 0.1 peak 297 volume 1.668e+04
assign ( resid 23 and name HA)
( resid 23 and name HB2)
6.0 0.1 0.1 peak 298 volume 2.334e+03
assign ( resid 23 and name HA)
( resid 23 and name HB1)
6.0 0.1 0.1 peak 299 volume 3.341e+03
assign ( resid 23 and name HB2)
( resid 24 and name HN)
6.0 0.1 0.1 peak 300 volume 3.380e+02
assign ( resid 23 and name HB1)
( resid 24 and name HN)
6.0 0.1 0.1 peak 301 volume 3.790e+02
assign ( resid 25 and name HG2#)
( resid 25 and name HN)
6.0 0.1 0.1 peak 302 volume 2.795e+03
assign ( resid 25 and name HA)
( resid 25 and name HA)
6.0 0.1 0.1 peak 303 volume 1.875e+04
assign ( resid 25 and name HA)
( resid 25 and name HG2#)
6.0 0.1 0.1 peak 304 volume 5.841e+03
assign ( resid 25 and name HB)
( resid 25 and name HN)
6.0 0.1 0.1 peak 305 volume 1.355e+03
assign ( resid 25 and name HB)
( resid 25 and name HB)
6.0 0.1 0.1 peak 306 volume 2.728e+04
assign ( resid 25 and name HB)
( resid 25 and name HA)
6.0 0.1 0.1 peak 307 volume 3.108e+03
assign ( resid 25 and name HB)
( resid 25 and name HG2#)
6.0 0.1 0.1 peak 308 volume 7.362e+03
assign ( resid 24 and name HA)
( resid 24 and name HD2)
6.0 0.1 0.1 peak 309 volume 2.340e+02
assign ( resid 24 and name HA)
( resid 24 and name HD1)
6.0 0.1 0.1 peak 310 volume 4.680e+02
assign ( resid 24 and name HA)
( resid 24 and name HB2)
6.0 0.1 0.1 peak 311 volume 2.400e+03
assign ( resid 24 and name HA)
( resid 24 and name HB1)
6.0 0.1 0.1 peak 312 volume 1.965e+03
assign ( resid 24 and name HA)
( resid 24 and name HG2)
6.0 0.1 0.1 peak 313 volume 1.526e+03
assign ( resid 24 and name HA)
( resid 24 and name HG1)
6.0 0.1 0.1 peak 314 volume 7.850e+02
assign ( resid 24 and name HD2)
( resid 24 and name HD1)
6.0 0.1 0.1 peak 315 volume 4.181e+03
assign ( resid 24 and name HD1)
( resid 24 and name HD1)
6.0 0.1 0.1 peak 316 volume 9.078e+03
assign ( resid 24 and name HD2)
( resid 24 and name HB2)
6.0 0.1 0.1 peak 317 volume 4.190e+02
assign ( resid 24 and name HD2)
( resid 24 and name HB1)
6.0 0.1 0.1 peak 318 volume 5.990e+02
assign ( resid 24 and name HD2)
( resid 24 and name HG2)
6.0 0.1 0.1 peak 319 volume 1.500e+03
assign ( resid 24 and name HD2)
( resid 24 and name HG1)
6.0 0.1 0.1 peak 320 volume 1.012e+03
assign ( resid 24 and name HD1)
( resid 24 and name HB2)
6.0 0.1 0.1 peak 321 volume 6.480e+02
assign ( resid 24 and name HD1)
( resid 24 and name HB1)
6.0 0.1 0.1 peak 322 volume 7.870e+02
assign ( resid 24 and name HD1)
( resid 24 and name HG2)
6.0 0.1 0.1 peak 323 volume 1.337e+03
assign ( resid 24 and name HD1)
( resid 24 and name HG1)
6.0 0.1 0.1 peak 324 volume 8.110e+02
assign ( resid 24 and name HB2)
( resid 24 and name HB2)
6.0 0.1 0.1 peak 325 volume 1.527e+04
assign ( resid 24 and name HB2)
( resid 24 and name HB1)
6.0 0.1 0.1 peak 326 volume 3.269e+03
assign ( resid 24 and name HB2)
( resid 24 and name HG2)
6.0 0.1 0.1 peak 327 volume 8.520e+02
assign ( resid 24 and name HB2)
( resid 24 and name HG1)
6.0 0.1 0.1 peak 328 volume 6.430e+02
assign ( resid 24 and name HB1)
( resid 24 and name HG2)
6.0 0.1 0.1 peak 329 volume 8.830e+02
assign ( resid 24 and name HG2)
( resid 24 and name HG1)
6.0 0.1 0.1 peak 330 volume 3.527e+03
assign ( resid 24 and name HG2)
( resid 24 and name HG2)
6.0 0.1 0.1 peak 331 volume 4.229e+04
assign ( resid 24 and name HB2)
( resid 24 and name HN)
6.0 0.1 0.1 peak 335 volume 3.048e+03
assign ( resid 24 and name HB1)
( resid 24 and name HN)
6.0 0.1 0.1 peak 336 volume 1.829e+03
assign ( resid 24 and name HG2)
( resid 24 and name HN)
6.0 0.1 0.1 peak 337 volume 3.730e+02
assign ( resid 24 and name HG1)
( resid 24 and name HN)
6.0 0.1 0.1 peak 338 volume 4.680e+02
assign ( resid 24 and name HG1)
( resid 25 and name HN)
6.0 0.1 0.1 peak 339 volume 4.360e+02
assign ( resid 24 and name HG2)
( resid 25 and name HN)
6.0 0.1 0.1 peak 340 volume 4.410e+02
assign ( resid 24 and name HB1)
( resid 25 and name HN)
6.0 0.1 0.1 peak 341 volume 1.141e+03
assign ( resid 24 and name HB2)
( resid 25 and name HN)
6.0 0.1 0.1 peak 342 volume 1.429e+03
assign ( resid 24 and name HD1)
( resid 24 and name HE)
6.0 0.1 0.1 peak 343 volume 1.979e+03
assign ( resid 24 and name HD2)
( resid 24 and name HE)
6.0 0.1 0.1 peak 346 volume 1.379e+03
assign ( resid 28 and name HA)
( resid 28 and name HB2)
6.0 0.1 0.1 peak 347 volume 1.472e+03
assign ( resid 28 and name HN)
( resid 28 and name HN)
6.0 0.1 0.1 peak 348 volume 2.712e+04
assign ( resid 29 and name HG2#)
( resid 29 and name HN)
6.0 0.1 0.1 peak 349 volume 2.731e+03
assign ( resid 29 and name HG2#)
( resid 30 and name HN)
6.0 0.1 0.1 peak 350 volume 8.000e+02
assign ( resid 29 and name HA)
( resid 29 and name HB)
6.0 0.1 0.1 peak 351 volume 9.300e+02
assign ( resid 29 and name HA)
( resid 29 and name HG2#)
6.0 0.1 0.1 peak 352 volume 1.301e+03
assign ( resid 29 and name HB)
( resid 29 and name HG2#)
6.0 0.1 0.1 peak 353 volume 4.487e+03
assign ( resid 29 and name HG2#)
( resid 29 and name HG2#)
6.0 0.1 0.1 peak 354 volume 1.351e+05
assign ( resid 29 and name HB)
( resid 29 and name HB)
6.0 0.1 0.1 peak 355 volume 1.318e+04
assign ( resid 25 and name HG2#)
( resid 26 and name HN)
6.0 0.1 0.1 peak 356 volume 5.670e+02
assign ( resid 26 and name HD1#)
( resid 26 and name HN)
6.0 0.1 0.1 peak 357 volume 2.320e+02
assign ( resid 26 and name HD2#)
( resid 26 and name HN)
6.0 0.1 0.1 peak 358 volume 2.349e+03
assign ( resid 26 and name HG)
( resid 26 and name HN)
6.0 0.1 0.1 peak 359 volume 7.170e+02
assign ( resid 26 and name HA)
( resid 26 and name HB2)
6.0 0.1 0.1 peak 360 volume 1.194e+03
assign ( resid 26 and name HA)
( resid 26 and name HB1)
6.0 0.1 0.1 peak 361 volume 1.996e+03
assign ( resid 26 and name HA)
( resid 26 and name HG)
6.0 0.1 0.1 peak 362 volume 6.770e+02
assign ( resid 26 and name HB2)
( resid 26 and name HB1)
6.0 0.1 0.1 peak 363 volume 6.443e+03
assign ( resid 26 and name HB2)
( resid 26 and name HG)
6.0 0.1 0.1 peak 364 volume 1.405e+03
assign ( resid 26 and name HB2)
( resid 26 and name HD1#)
6.0 0.1 0.1 peak 365 volume 2.663e+03
assign ( resid 26 and name HB2)
( resid 26 and name HD2#)
6.0 0.1 0.1 peak 366 volume 2.996e+03
assign ( resid 26 and name HG)
( resid 26 and name HG)
6.0 0.1 0.1 peak 367 volume 1.734e+04
assign ( resid 26 and name HG)
( resid 26 and name HD1#)
6.0 0.1 0.1 peak 368 volume 1.528e+03
assign ( resid 26 and name HG)
( resid 26 and name HD2#)
6.0 0.1 0.1 peak 369 volume 4.096e+03
assign ( resid 26 and name HB1)
( resid 26 and name HB1)
6.0 0.1 0.1 peak 370 volume 2.220e+04
assign ( resid 26 and name HB1)
( resid 26 and name HD1#)
6.0 0.1 0.1 peak 371 volume 2.243e+03
assign ( resid 26 and name HB1)
( resid 26 and name HD2#)
6.0 0.1 0.1 peak 372 volume 2.261e+03
assign ( resid 26 and name HD1#)
( resid 26 and name HD2#)
6.0 0.1 0.1 peak 374 volume 6.178e+03
assign ( resid 26 and name HB2)
( resid 26 and name HN)
6.0 0.1 0.1 peak 375 volume 4.780e+02
assign ( resid 26 and name HB1)
( resid 26 and name HN)
6.0 0.1 0.1 peak 376 volume 5.260e+02
assign ( resid 26 and name HD2#)
( resid 27 and name HN)
6.0 0.1 0.1 peak 379 volume 4.830e+02
assign ( resid 26 and name HD1#)
( resid 27 and name HN)
6.0 0.1 0.1 peak 380 volume 3.580e+02
assign ( resid 27 and name HG2)
( resid 27 and name HN)
6.0 0.1 0.1 peak 382 volume 6.010e+02
assign ( resid 27 and name HG1)
( resid 27 and name HN)
6.0 0.1 0.1 peak 383 volume 5.560e+02
assign ( resid 27 and name HB2)
( resid 27 and name HN)
6.0 0.1 0.1 peak 384 volume 1.243e+03
assign ( resid 27 and name HB1)
( resid 27 and name HN)
6.0 0.1 0.1 peak 385 volume 1.492e+03
assign ( resid 27 and name HA)
( resid 27 and name HG2)
6.0 0.1 0.1 peak 386 volume 8.080e+02
assign ( resid 27 and name HA)
( resid 27 and name HG1)
6.0 0.1 0.1 peak 387 volume 8.220e+02
assign ( resid 27 and name HA)
( resid 27 and name HB2)
6.0 0.1 0.1 peak 388 volume 2.286e+03
assign ( resid 27 and name HA)
( resid 27 and name HB1)
6.0 0.1 0.1 peak 389 volume 1.347e+03
assign ( resid 27 and name HG2)
( resid 27 and name HG2)
6.0 0.1 0.1 peak 390 volume 1.902e+04
assign ( resid 27 and name HG2)
( resid 27 and name HG1)
6.0 0.1 0.1 peak 391 volume 6.218e+03
assign ( resid 27 and name HG2)
( resid 27 and name HB2)
6.0 0.1 0.1 peak 392 volume 9.450e+02
assign ( resid 27 and name HG2)
( resid 27 and name HB1)
6.0 0.1 0.1 peak 393 volume 7.580e+02
assign ( resid 27 and name HG1)
( resid 27 and name HB2)
6.0 0.1 0.1 peak 394 volume 7.540e+02
assign ( resid 27 and name HB2)
( resid 27 and name HB1)
6.0 0.1 0.1 peak 395 volume 4.124e+03
assign ( resid 27 and name HG2)
( resid 28 and name HN)
6.0 0.1 0.1 peak 396 volume 5.260e+02
assign ( resid 27 and name HG1)
( resid 28 and name HN)
6.0 0.1 0.1 peak 397 volume 5.510e+02
assign ( resid 27 and name HB2)
( resid 28 and name HN)
6.0 0.1 0.1 peak 398 volume 8.610e+02
assign ( resid 27 and name HB1)
( resid 28 and name HN)
6.0 0.1 0.1 peak 399 volume 7.490e+02
assign ( resid 27 and name HN)
( resid 28 and name HN)
6.0 0.1 0.1 peak 400 volume 3.030e+02
assign ( resid 27 and name HN)
( resid 27 and name HN)
6.0 0.1 0.1 peak 401 volume 2.913e+04
assign ( resid 27 and name HN)
( resid 26 and name HN)
6.0 0.1 0.1 peak 402 volume 1.353e+03
assign ( resid 26 and name HN)
( resid 26 and name HN)
6.0 0.1 0.1 peak 403 volume 1.300e+04
assign ( resid 26 and name HN)
( resid 25 and name HN)
6.0 0.1 0.1 peak 404 volume 2.209e+03
assign ( resid 25 and name HN)
( resid 25 and name HN)
6.0 0.1 0.1 peak 405 volume 1.491e+04
assign ( resid 25 and name HN)
( resid 24 and name HN)
6.0 0.1 0.1 peak 406 volume 2.181e+03
assign ( resid 24 and name HN)
( resid 24 and name HN)
6.0 0.1 0.1 peak 407 volume 5.899e+04
assign ( resid 26 and name HN)
( resid 24 and name HN)
6.0 0.1 0.1 peak 408 volume 7.620e+02
assign ( resid 29 and name HN)
( resid 29 and name HN)
6.0 0.1 0.1 peak 410 volume 1.659e+04
assign ( resid 20 and name HN)
( resid 29 and name HN)
6.0 0.1 0.1 peak 411 volume 1.060e+03
assign ( resid 20 and name HN)
( resid 20 and name HN)
6.0 0.1 0.1 peak 412 volume 6.339e+03
assign ( resid 35 and name HN)
( resid 35 and name HN)
6.0 0.1 0.1 peak 413 volume 1.811e+04
assign ( resid 34 and name HN)
( resid 35 and name HN)
6.0 0.1 0.1 peak 414 volume 1.401e+03
assign ( resid 34 and name HN)
( resid 34 and name HN)
6.0 0.1 0.1 peak 415 volume 5.251e+04
assign ( resid 36 and name HN)
( resid 35 and name HN)
6.0 0.1 0.1 peak 416 volume 1.544e+03
assign ( resid 36 and name HN)
( resid 36 and name HN)
6.0 0.1 0.1 peak 417 volume 2.041e+04
assign ( resid 36 and name HN)
( resid 37 and name HN)
6.0 0.1 0.1 peak 418 volume 1.337e+03
assign ( resid 13 and name HN)
( resid 13 and name HN)
6.0 0.1 0.1 peak 419 volume 1.679e+04
assign ( resid 17 and name HN)
( resid 17 and name HN)
6.0 0.1 0.1 peak 422 volume 1.200e+04
assign ( resid 17 and name HN)
( resid 16 and name HN)
6.0 0.1 0.1 peak 423 volume 1.578e+03
assign ( resid 16 and name HN)
( resid 16 and name HN)
6.0 0.1 0.1 peak 424 volume 3.799e+04
assign ( resid 15 and name HN)
( resid 15 and name HN)
6.0 0.1 0.1 peak 426 volume 1.925e+04
assign ( resid 9 and name HN)
( resid 9 and name HN)
6.0 0.1 0.1 peak 427 volume 1.011e+04
assign ( resid 21 and name HN)
( resid 9 and name HN)
6.0 0.1 0.1 peak 428 volume 8.410e+02
assign ( resid 21 and name HN)
( resid 21 and name HN)
6.0 0.1 0.1 peak 429 volume 1.591e+04
assign ( resid 30 and name HB1)
( resid 31 and name HN)
6.0 0.1 0.1 peak 431 volume 5.460e+02
assign ( resid 30 and name HB1)
( resid 30 and name HN)
6.0 0.1 0.1 peak 432 volume 1.556e+03
assign ( resid 30 and name HB1)
( resid 30 and name HD1)
6.0 0.1 0.1 peak 433 volume 2.510e+03
assign ( resid 30 and name HB2)
( resid 30 and name HD1)
6.0 0.1 0.1 peak 434 volume 1.741e+03
assign ( resid 30 and name HB1)
( resid 30 and name HE3)
6.0 0.1 0.1 peak 435 volume 1.117e+03
assign ( resid 30 and name HB2)
( resid 30 and name HE3)
6.0 0.1 0.1 peak 436 volume 1.965e+03
assign ( resid 31 and name HG2)
( resid 31 and name HN)
6.0 0.1 0.1 peak 437 volume 7.830e+02
assign ( resid 31 and name HB2)
( resid 31 and name HN)
6.0 0.1 0.1 peak 438 volume 1.283e+03
assign ( resid 31 and name HB1)
( resid 31 and name HN)
6.0 0.1 0.1 peak 439 volume 1.680e+03
assign ( resid 31 and name HA)
( resid 32 and name HN)
6.0 0.1 0.1 peak 440 volume 7.623e+03
assign ( resid 31 and name HG2)
( resid 32 and name HN)
6.0 0.1 0.1 peak 441 volume 6.660e+02
assign ( resid 31 and name HB2)
( resid 32 and name HN)
6.0 0.1 0.1 peak 442 volume 7.180e+02
assign ( resid 31 and name HB1)
( resid 32 and name HN)
6.0 0.1 0.1 peak 443 volume 5.070e+02
assign ( resid 32 and name HA)
( resid 32 and name HN)
6.0 0.1 0.1 peak 444 volume 6.440e+02
assign ( resid 31 and name HA)
( resid 31 and name HG2)
6.0 0.1 0.1 peak 445 volume 1.554e+03
assign ( resid 31 and name HA)
( resid 31 and name HB2)
6.0 0.1 0.1 peak 446 volume 4.652e+03
assign ( resid 31 and name HA)
( resid 31 and name HB1)
6.0 0.1 0.1 peak 447 volume 1.181e+03
assign ( resid 31 and name HB2)
( resid 31 and name HB1)
6.0 0.1 0.1 peak 448 volume 1.131e+04
assign ( resid 32 and name HG2)
( resid 32 and name HN)
6.0 0.1 0.1 peak 450 volume 5.090e+02
assign ( resid 33 and name HB1)
( resid 34 and name HN)
6.0 0.1 0.1 peak 451 volume 8.290e+02
assign ( resid 33 and name HB2)
( resid 34 and name HN)
6.0 0.1 0.1 peak 452 volume 8.430e+02
assign ( resid 33 and name HB1)
( resid 35 and name HN)
6.0 0.1 0.1 peak 454 volume 7.090e+02
assign ( resid 33 and name HB2)
( resid 35 and name HN)
6.0 0.1 0.1 peak 455 volume 6.430e+02
assign ( resid 35 and name HG2)
( resid 35 and name HN)
6.0 0.1 0.1 peak 456 volume 2.397e+03
assign ( resid 35 and name HB2)
( resid 35 and name HN)
6.0 0.1 0.1 peak 457 volume 1.721e+03
assign ( resid 35 and name HB1)
( resid 35 and name HN)
6.0 0.1 0.1 peak 458 volume 2.198e+03
assign ( resid 34 and name HB2)
( resid 35 and name HN)
6.0 0.1 0.1 peak 459 volume 1.795e+03
assign ( resid 34 and name HB2)
( resid 34 and name HN)
6.0 0.1 0.1 peak 460 volume 2.175e+03
assign ( resid 34 and name HG2)
( resid 34 and name HN)
6.0 0.1 0.1 peak 461 volume 1.219e+03
assign ( resid 34 and name HA)
( resid 34 and name HG2)
6.0 0.1 0.1 peak 462 volume 1.188e+03
assign ( resid 34 and name HA)
( resid 34 and name HB2)
6.0 0.1 0.1 peak 463 volume 1.942e+03
assign ( resid 34 and name HA)
( resid 34 and name HB1)
6.0 0.1 0.1 peak 464 volume 1.962e+03
assign ( resid 34 and name HG2)
( resid 34 and name HG2)
6.0 0.1 0.1 peak 465 volume 5.681e+04
assign ( resid 34 and name HG2)
( resid 34 and name HB2)
6.0 0.1 0.1 peak 466 volume 2.019e+03
assign ( resid 34 and name HG2)
( resid 34 and name HB1)
6.0 0.1 0.1 peak 467 volume 1.758e+03
assign ( resid 32 and name HA)
( resid 32 and name HA)
6.0 0.1 0.1 peak 468 volume 1.704e+04
assign ( resid 33 and name HA)
( resid 33 and name HG2)
6.0 0.1 0.1 peak 469 volume 2.460e+02
assign ( resid 33 and name HA)
( resid 33 and name HG1)
6.0 0.1 0.1 peak 470 volume 4.010e+02
assign ( resid 33 and name HA)
( resid 33 and name HB2)
6.0 0.1 0.1 peak 471 volume 2.534e+03
assign ( resid 33 and name HA)
( resid 33 and name HB1)
6.0 0.1 0.1 peak 472 volume 1.508e+03
assign ( resid 33 and name HD2)
( resid 33 and name HG2)
6.0 0.1 0.1 peak 473 volume 5.830e+02
assign ( resid 33 and name HD2)
( resid 33 and name HG1)
6.0 0.1 0.1 peak 474 volume 9.260e+02
assign ( resid 33 and name HD1)
( resid 33 and name HG2)
6.0 0.1 0.1 peak 475 volume 5.160e+02
assign ( resid 33 and name HD1)
( resid 33 and name HG1)
6.0 0.1 0.1 peak 476 volume 6.450e+02
assign ( resid 33 and name HB2)
( resid 33 and name HG2)
6.0 0.1 0.1 peak 477 volume 4.480e+02
assign ( resid 33 and name HB2)
( resid 33 and name HG1)
6.0 0.1 0.1 peak 478 volume 7.750e+02
assign ( resid 33 and name HB2)
( resid 33 and name HG2)
6.0 0.1 0.1 peak 479 volume 5.640e+02
assign ( resid 33 and name HB1)
( resid 33 and name HG1)
6.0 0.1 0.1 peak 480 volume 5.130e+02
assign ( resid 33 and name HG2)
( resid 33 and name HG2)
6.0 0.1 0.1 peak 481 volume 4.436e+03
assign ( resid 33 and name HG2)
( resid 33 and name HG1)
6.0 0.1 0.1 peak 482 volume 2.343e+03
assign ( resid 33 and name HG1)
( resid 33 and name HG1)
6.0 0.1 0.1 peak 483 volume 3.635e+03
assign ( resid 33 and name HG1)
( resid 33 and name HG2)
6.0 0.1 0.1 peak 484 volume 2.377e+03
assign ( resid 33 and name HD2)
( resid 33 and name HD1)
6.0 0.1 0.1 peak 485 volume 2.474e+03
assign ( resid 33 and name HD2)
( resid 33 and name HD2)
6.0 0.1 0.1 peak 486 volume 1.670e+04
assign ( resid 32 and name HA)
( resid 33 and name HD1)
6.0 0.1 0.1 peak 487 volume 1.281e+03
assign ( resid 33 and name HD1)
( resid 33 and name HD1)
6.0 0.1 0.1 peak 488 volume 5.470e+04
assign ( resid 32 and name HB2)
( resid 32 and name HN)
6.0 0.1 0.1 peak 489 volume 4.624e+03
assign ( resid 32 and name HB1)
( resid 32 and name HN)
6.0 0.1 0.1 peak 490 volume 3.150e+02
assign ( resid 32 and name HA)
( resid 32 and name HB2)
6.0 0.1 0.1 peak 491 volume 9.230e+02
assign ( resid 32 and name HA)
( resid 32 and name HB1)
6.0 0.1 0.1 peak 492 volume 4.140e+02
assign ( resid 32 and name HA)
( resid 32 and name HG2)
6.0 0.1 0.1 peak 493 volume 4.580e+02
assign ( resid 32 and name HB2)
( resid 32 and name HB2)
6.0 0.1 0.1 peak 496 volume 8.587e+04
assign ( resid 32 and name HB2)
( resid 32 and name HB1)
6.0 0.1 0.1 peak 497 volume 5.503e+03
assign ( resid 32 and name HB2)
( resid 32 and name HG2)
6.0 0.1 0.1 peak 498 volume 1.375e+03
assign ( resid 32 and name HB1)
( resid 32 and name HB1)
6.0 0.1 0.1 peak 499 volume 1.383e+04
assign ( resid 32 and name HG2)
( resid 32 and name HG2)
6.0 0.1 0.1 peak 500 volume 2.380e+03
assign ( resid 32 and name HG2)
( resid 32 and name HG2)
6.0 0.1 0.1 peak 501 volume 3.072e+03
assign ( resid 35 and name HG2)
( resid 36 and name HN)
6.0 0.1 0.1 peak 502 volume 5.860e+02
assign ( resid 35 and name HB2)
( resid 36 and name HN)
6.0 0.1 0.1 peak 503 volume 3.270e+02
assign ( resid 35 and name HB1)
( resid 36 and name HN)
6.0 0.1 0.1 peak 504 volume 2.720e+02
assign ( resid 36 and name HG)
( resid 36 and name HN)
6.0 0.1 0.1 peak 505 volume 9.940e+02
assign ( resid 26 and name HA)
( resid 26 and name HD1#)
6.0 0.1 0.1 peak 506 volume 6.000e+02
assign ( resid 26 and name HA)
( resid 26 and name HD2#)
6.0 0.1 0.1 peak 507 volume 4.113e+03
assign ( resid 36 and name HA)
( resid 36 and name HD1#)
6.0 0.1 0.1 peak 508 volume 4.425e+03
assign ( resid 36 and name HA)
( resid 36 and name HD2#)
6.0 0.1 0.1 peak 509 volume 7.590e+02
assign ( resid 36 and name HB2)
( resid 36 and name HN)
6.0 0.1 0.1 peak 513 volume 1.187e+03
assign ( resid 36 and name HB1)
( resid 36 and name HN)
6.0 0.1 0.1 peak 514 volume 1.588e+03
assign ( resid 36 and name HG)
( resid 36 and name HG)
6.0 0.1 0.1 peak 515 volume 3.504e+04
assign ( resid 36 and name HD1#)
( resid 36 and name HN)
6.0 0.1 0.1 peak 520 volume 5.170e+02
assign ( resid 36 and name HD2#)
( resid 36 and name HN)
6.0 0.1 0.1 peak 521 volume 5.320e+02
assign ( resid 36 and name HD2#)
( resid 36 and name HD1#)
6.0 0.1 0.1 peak 522 volume 8.975e+03
assign ( resid 36 and name HD1#)
( resid 36 and name HD1#)
6.0 0.1 0.1 peak 523 volume 1.980e+05
assign ( resid 36 and name HD1#)
( resid 36 and name HD2#)
6.0 0.1 0.1 peak 524 volume 3.999e+03
assign ( resid 36 and name HB2)
( resid 36 and name HD1#)
6.0 0.1 0.1 peak 525 volume 3.024e+03
assign ( resid 36 and name HB2)
( resid 36 and name HD2#)
6.0 0.1 0.1 peak 526 volume 2.408e+03
assign ( resid 36 and name HB1)
( resid 37 and name HN)
6.0 0.1 0.1 peak 527 volume 6.230e+02
assign ( resid 36 and name HG)
( resid 37 and name HN)
6.0 0.1 0.1 peak 528 volume 5.600e+02
assign ( resid 37 and name HB2)
( resid 37 and name HN)
6.0 0.1 0.1 peak 529 volume 8.310e+02
assign ( resid 37 and name HB1)
( resid 37 and name HN)
6.0 0.1 0.1 peak 530 volume 1.832e+03
assign ( resid 37 and name HG2)
( resid 37 and name HN)
6.0 0.1 0.1 peak 531 volume 1.110e+03
assign ( resid 37 and name HA)
( resid 37 and name HB2)
6.0 0.1 0.1 peak 532 volume 1.291e+03
assign ( resid 37 and name HA)
( resid 37 and name HB1)
6.0 0.1 0.1 peak 533 volume 8.770e+02
assign ( resid 37 and name HA)
( resid 37 and name HG2)
6.0 0.1 0.1 peak 534 volume 8.090e+02
assign ( resid 13 and name HB)
( resid 19 and name HE#)
6.0 0.1 0.1 peak 537 volume 1.104e+03
assign ( resid 21 and name HB2)
( resid 19 and name HE#)
6.0 0.1 0.1 peak 539 volume 1.188e+03
assign ( resid 11 and name HB2)
( resid 19 and name HE#)
6.0 0.1 0.1 peak 540 volume 8.670e+02
assign ( resid 11 and name HB1)
( resid 19 and name HE#)
6.0 0.1 0.1 peak 541 volume 7.320e+02
assign ( resid 13 and name HG2#)
( resid 19 and name HE#)
6.0 0.1 0.1 peak 542 volume 2.391e+03
assign ( resid 13 and name HG2#)
( resid 11 and name HE#)
6.0 0.1 0.1 peak 543 volume 1.720e+02
assign ( resid 21 and name HB2)
( resid 11 and name HE#)
6.0 0.1 0.1 peak 544 volume 1.171e+03
assign ( resid 9 and name HB)
( resid 11 and name HE#)
6.0 0.1 0.1 peak 545 volume 6.280e+02
assign ( resid 9 and name HB)
( resid 11 and name HD#)
6.0 0.1 0.1 peak 546 volume 4.010e+02
assign ( resid 21 and name HB2)
( resid 11 and name HD#)
6.0 0.1 0.1 peak 547 volume 1.099e+03
assign ( resid 31 and name HA)
( resid 20 and name HD#)
6.0 0.1 0.1 peak 548 volume 1.166e+03
assign ( resid 31 and name HA)
( resid 20 and name HE#)
6.0 0.1 0.1 peak 549 volume 1.002e+03
assign ( resid 23 and name HA)
( resid 21 and name HE#)
6.0 0.1 0.1 peak 550 volume 3.823e+03
assign ( resid 26 and name HA)
( resid 21 and name HE#)
6.0 0.1 0.1 peak 551 volume 1.437e+03
assign ( resid 28 and name HB2)
( resid 21 and name HE#)
6.0 0.1 0.1 peak 552 volume 2.750e+02
assign ( resid 28 and name HB2)
( resid 19 and name HD#)
6.0 0.1 0.1 peak 553 volume 1.604e+03
assign ( resid 28 and name HB2)
( resid 19 and name HE#)
6.0 0.1 0.1 peak 554 volume 5.510e+02
assign ( resid 21 and name HB2)
( resid 19 and name HD#)
6.0 0.1 0.1 peak 555 volume 3.950e+02
assign ( resid 13 and name HG2#)
( resid 19 and name HD#)
6.0 0.1 0.1 peak 556 volume 3.618e+03
assign ( resid 11 and name HB1)
( resid 19 and name HD#)
6.0 0.1 0.1 peak 557 volume 5.360e+02
assign ( resid 9 and name HG2#)
( resid 19 and name HD#)
6.0 0.1 0.1 peak 558 volume 3.300e+02
assign ( resid 31 and name HG2)
( resid 20 and name HD#)
6.0 0.1 0.1 peak 559 volume 6.920e+02
assign ( resid 31 and name HB2)
( resid 20 and name HD#)
6.0 0.1 0.1 peak 560 volume 1.421e+03
assign ( resid 36 and name HB2)
( resid 20 and name HD#)
6.0 0.1 0.1 peak 561 volume 4.950e+02
assign ( resid 29 and name HG2#)
( resid 20 and name HD#)
6.0 0.1 0.1 peak 562 volume 1.755e+03
assign ( resid 18 and name HG2#)
( resid 20 and name HD#)
6.0 0.1 0.1 peak 563 volume 1.143e+03
assign ( resid 36 and name HD2#)
( resid 20 and name HD#)
6.0 0.1 0.1 peak 564 volume 2.076e+03
assign ( resid 36 and name HB2)
( resid 20 and name HE#)
6.0 0.1 0.1 peak 566 volume 1.085e+03
assign ( resid 18 and name HG2#)
( resid 20 and name HE#)
6.0 0.1 0.1 peak 567 volume 2.161e+03
assign ( resid 36 and name HD2#)
( resid 20 and name HE#)
6.0 0.1 0.1 peak 568 volume 2.602e+03
assign ( resid 31 and name HB2)
( resid 20 and name HE#)
6.0 0.1 0.1 peak 569 volume 3.418e+03
assign ( resid 31 and name HG2)
( resid 20 and name HE#)
6.0 0.1 0.1 peak 570 volume 7.380e+02
assign ( resid 29 and name HG2#)
( resid 20 and name HE#)
6.0 0.1 0.1 peak 571 volume 5.380e+02
assign ( resid 26 and name HB1)
( resid 21 and name HE#)
6.0 0.1 0.1 peak 572 volume 5.970e+02
assign ( resid 23 and name HB2)
( resid 21 and name HE#)
6.0 0.1 0.1 peak 573 volume 6.180e+02
assign ( resid 11 and name HB2)
( resid 19 and name HD#)
6.0 0.1 0.1 peak 574 volume 3.630e+02
assign ( resid 32 and name HG2)
( resid 20 and name HE#)
6.0 0.1 0.1 peak 575 volume 4.780e+02
assign ( resid 32 and name HG2)
( resid 20 and name HD#)
6.0 0.1 0.1 peak 576 volume 2.940e+02
assign ( resid 8 and name HB2)
( resid 8 and name HD1)
6.0 0.1 0.1 peak 577 volume 1.411e+03
assign ( resid 8 and name HB1)
( resid 8 and name HD1)
6.0 0.1 0.1 peak 578 volume 1.046e+03
assign ( resid 8 and name HE1)
( resid 8 and name HD1)
6.0 0.1 0.1 peak 579 volume 6.283e+03
assign ( resid 8 and name HE1)
( resid 8 and name HZ2)
6.0 0.1 0.1 peak 580 volume 3.100e+03
assign ( resid 8 and name HE1)
( resid 8 and name HH2)
6.0 0.1 0.1 peak 581 volume 2.690e+02
assign ( resid 30 and name HE1)
( resid 30 and name HZ2)
6.0 0.1 0.1 peak 582 volume 2.867e+03
assign ( resid 30 and name HE1)
( resid 30 and name HD1)
6.0 0.1 0.1 peak 583 volume 9.396e+03
assign ( resid 30 and name HE1)
( resid 30 and name HH2)
6.0 0.1 0.1 peak 584 volume 3.410e+02
assign ( resid 8 and name HZ2)
( resid 8 and name HZ2)
6.0 0.1 0.1 peak 585 volume 3.998e+04
assign ( resid 8 and name HZ2)
( resid 8 and name HH2)
6.0 0.1 0.1 peak 587 volume 6.684e+03
assign ( resid 8 and name HZ2)
( resid 8 and name HZ3)
6.0 0.1 0.1 peak 588 volume 9.520e+02
assign ( resid 8 and name HZ2)
( resid 8 and name HD1)
6.0 0.1 0.1 peak 589 volume 6.620e+02
assign ( resid 8 and name HZ3)
( resid 8 and name HZ3)
6.0 0.1 0.1 peak 590 volume 1.727e+04
assign ( resid 8 and name HZ3)
( resid 8 and name HH2)
6.0 0.1 0.1 peak 591 volume 4.720e+03
assign ( resid 8 and name HZ3)
( resid 8 and name HZ2)
6.0 0.1 0.1 peak 592 volume 7.990e+02
assign ( resid 8 and name HZ3)
( resid 8 and name HE3)
6.0 0.1 0.1 peak 593 volume 4.874e+03
assign ( resid 8 and name HE3)
( resid 8 and name HE3)
6.0 0.1 0.1 peak 594 volume 2.696e+04
assign ( resid 8 and name HE3)
( resid 8 and name HH2)
6.0 0.1 0.1 peak 595 volume 7.190e+02
assign ( resid 8 and name HE3)
( resid 8 and name HZ3)
6.0 0.1 0.1 peak 596 volume 4.402e+03
assign ( resid 8 and name HH2)
( resid 8 and name HH2)
6.0 0.1 0.1 peak 597 volume 2.227e+04
assign ( resid 8 and name HH2)
( resid 8 and name HZ3)
6.0 0.1 0.1 peak 598 volume 4.891e+03
assign ( resid 8 and name HH2)
( resid 8 and name HZ2)
6.0 0.1 0.1 peak 599 volume 7.612e+03
assign ( resid 8 and name HH2)
( resid 8 and name HE3)
6.0 0.1 0.1 peak 600 volume 5.420e+02
assign ( resid 21 and name HD#)
( resid 19 and name HE#)
6.0 0.1 0.1 peak 602 volume 1.114e+03
assign ( resid 30 and name HE3)
( resid 30 and name HE3)
6.0 0.1 0.1 peak 603 volume 4.133e+04
assign ( resid 30 and name HE3)
( resid 30 and name HZ3)
6.0 0.1 0.1 peak 604 volume 4.499e+03
assign ( resid 30 and name HE3)
( resid 30 and name HH2)
6.0 0.1 0.1 peak 605 volume 8.350e+02
assign ( resid 30 and name HH2)
( resid 30 and name HE3)
6.0 0.1 0.1 peak 606 volume 9.040e+02
assign ( resid 30 and name HZ3)
( resid 30 and name HE3)
6.0 0.1 0.1 peak 607 volume 6.508e+03
assign ( resid 30 and name HH2)
( resid 30 and name HH2)
6.0 0.1 0.1 peak 608 volume 2.323e+04
assign ( resid 30 and name HH2)
( resid 30 and name HZ3)
6.0 0.1 0.1 peak 609 volume 5.833e+03
assign ( resid 30 and name HZ3)
( resid 30 and name HZ3)
6.0 0.1 0.1 peak 610 volume 2.150e+04
assign ( resid 30 and name HZ3)
( resid 30 and name HH2)
6.0 0.1 0.1 peak 611 volume 4.641e+03
assign ( resid 30 and name HH2)
( resid 30 and name HZ2)
6.0 0.1 0.1 peak 612 volume 6.339e+03
assign ( resid 30 and name HZ3)
( resid 30 and name HZ2)
6.0 0.1 0.1 peak 613 volume 6.590e+02
assign ( resid 30 and name HZ2)
( resid 30 and name HZ2)
6.0 0.1 0.1 peak 614 volume 5.808e+04
assign ( resid 30 and name HZ2)
( resid 30 and name HH2)
6.0 0.1 0.1 peak 615 volume 5.937e+03
assign ( resid 30 and name HZ2)
( resid 30 and name HZ3)
6.0 0.1 0.1 peak 616 volume 6.520e+02
assign ( resid 19 and name HE#)
( resid 11 and name HD#)
6.0 0.1 0.1 peak 617 volume 1.148e+03
assign ( resid 19 and name HE#)
( resid 21 and name HD#)
6.0 0.1 0.1 peak 618 volume 1.468e+03
assign ( resid 28 and name HA)
( resid 19 and name HD#)
6.0 0.1 0.1 peak 619 volume 3.980e+02
assign ( resid 28 and name HA)
( resid 8 and name HZ3)
6.0 0.1 0.1 peak 620 volume 7.520e+02
assign ( resid 28 and name HA)
( resid 21 and name HE#)
6.0 0.1 0.1 peak 621 volume 7.700e+02
assign ( resid 28 and name HA)
( resid 21 and name HD#)
6.0 0.1 0.1 peak 622 volume 2.300e+03
assign ( resid 20 and name HD#)
( resid 8 and name HE3)
6.0 0.1 0.1 peak 623 volume 9.110e+02
assign ( resid 8 and name HA)
( resid 8 and name HE3)
6.0 0.1 0.1 peak 625 volume 1.942e+03
assign ( resid 20 and name HA)
( resid 8 and name HE3)
6.0 0.1 0.1 peak 626 volume 7.240e+02
assign ( resid 8 and name HA)
( resid 8 and name HD1)
6.0 0.1 0.1 peak 627 volume 3.770e+02
assign ( resid 8 and name HA)
( resid 8 and name HZ3)
6.0 0.1 0.1 peak 628 volume 3.050e+02
assign ( resid 8 and name HD1)
( resid 8 and name HD1)
6.0 0.1 0.1 peak 629 volume 5.065e+04
assign ( resid 8 and name HB1)
( resid 8 and name HE3)
6.0 0.1 0.1 peak 630 volume 1.846e+03
assign ( resid 8 and name HB2)
( resid 8 and name HE3)
6.0 0.1 0.1 peak 631 volume 1.072e+03
assign ( resid 20 and name HB2)
( resid 8 and name HE3)
6.0 0.1 0.1 peak 632 volume 2.451e+03
assign ( resid 28 and name HB2)
( resid 21 and name HD#)
6.0 0.1 0.1 peak 633 volume 1.433e+03
assign ( resid 26 and name HA)
( resid 21 and name HD#)
6.0 0.1 0.1 peak 634 volume 5.080e+02
assign ( resid 9 and name HB)
( resid 21 and name HD#)
6.0 0.1 0.1 peak 635 volume 8.630e+02
assign ( resid 23 and name HA)
( resid 21 and name HD#)
6.0 0.1 0.1 peak 636 volume 1.287e+03
assign ( resid 23 and name HB1)
( resid 21 and name HD#)
6.0 0.1 0.1 peak 637 volume 4.600e+02
assign ( resid 9 and name HG2#)
( resid 21 and name HD#)
6.0 0.1 0.1 peak 638 volume 6.140e+02
assign ( resid 26 and name HD2#)
( resid 21 and name HD#)
6.0 0.1 0.1 peak 639 volume 4.180e+02
assign ( resid 29 and name HG2#)
( resid 8 and name HE3)
6.0 0.1 0.1 peak 640 volume 9.000e+02
assign ( resid 36 and name HD2#)
( resid 8 and name HE3)
6.0 0.1 0.1 peak 641 volume 3.340e+02
assign ( resid 22 and name HB1)
( resid 8 and name HE3)
6.0 0.1 0.1 peak 642 volume 3.670e+02
assign ( resid 33 and name HG2)
( resid 8 and name HE3)
6.0 0.1 0.1 peak 643 volume 2.160e+02
assign ( resid 6 and name HA)
( resid 8 and name HH2)
6.0 0.1 0.1 peak 644 volume 4.180e+02
assign ( resid 6 and name HA)
( resid 8 and name HZ3)
6.0 0.1 0.1 peak 645 volume 3.210e+02
assign ( resid 24 and name HA)
( resid 8 and name HH2)
6.0 0.1 0.1 peak 646 volume 3.180e+02
assign ( resid 24 and name HA)
( resid 8 and name HZ3)
6.0 0.1 0.1 peak 647 volume 3.990e+02
assign ( resid 20 and name HB2)
( resid 8 and name HZ3)
6.0 0.1 0.1 peak 648 volume 8.740e+02
assign ( resid 24 and name HB2)
( resid 8 and name HZ3)
6.0 0.1 0.1 peak 649 volume 1.610e+02
assign ( resid 27 and name HB2)
( resid 8 and name HH2)
6.0 0.1 0.1 peak 650 volume 4.230e+02
assign ( resid 27 and name HG2)
( resid 8 and name HH2)
6.0 0.1 0.1 peak 651 volume 2.280e+02
assign ( resid 27 and name HG1)
( resid 8 and name HH2)
6.0 0.1 0.1 peak 652 volume 2.660e+02
assign ( resid 27 and name HB1)
( resid 8 and name HH2)
6.0 0.1 0.1 peak 653 volume 3.310e+02
assign ( resid 29 and name HG2#)
( resid 8 and name HZ3)
6.0 0.1 0.1 peak 654 volume 2.459e+03
assign ( resid 29 and name HG2#)
( resid 8 and name HH2)
6.0 0.1 0.1 peak 655 volume 1.741e+03
assign ( resid 22 and name HB1)
( resid 8 and name HZ3)
6.0 0.1 0.1 peak 657 volume 4.650e+02
assign ( resid 22 and name HB1)
( resid 8 and name HH2)
6.0 0.1 0.1 peak 658 volume 4.100e+02
assign ( resid 33 and name HG2)
( resid 20 and name HD#)
6.0 0.1 0.1 peak 660 volume 2.370e+02
assign ( resid 33 and name HG1)
( resid 20 and name HD#)
6.0 0.1 0.1 peak 661 volume 2.680e+02
assign ( resid 33 and name HG1)
( resid 8 and name HE3)
6.0 0.1 0.1 peak 662 volume 2.060e+02
assign ( resid 6 and name HA)
( resid 8 and name HZ2)
6.0 0.1 0.1 peak 663 volume 1.036e+03
assign ( resid 36 and name HB2)
( resid 8 and name HZ2)
6.0 0.1 0.1 peak 664 volume 4.290e+02
assign ( resid 29 and name HG2#)
( resid 8 and name HZ2)
6.0 0.1 0.1 peak 665 volume 5.360e+02
assign ( resid 33 and name HG2)
( resid 8 and name HZ2)
6.0 0.1 0.1 peak 667 volume 2.090e+02
assign ( resid 33 and name HG1)
( resid 8 and name HZ2)
6.0 0.1 0.1 peak 668 volume 2.250e+02
assign ( resid 8 and name HE1)
( resid 8 and name HE1)
6.0 0.1 0.1 peak 669 volume 3.304e+04
assign ( resid 6 and name HA)
( resid 8 and name HE1)
6.0 0.1 0.1 peak 670 volume 3.280e+02
assign ( resid 35 and name HG2)
( resid 8 and name HE1)
6.0 0.1 0.1 peak 671 volume 3.580e+02
assign ( resid 35 and name HB1)
( resid 8 and name HE1)
6.0 0.1 0.1 peak 672 volume 2.540e+02
assign ( resid 33 and name HB2)
( resid 8 and name HE1)
6.0 0.1 0.1 peak 673 volume 2.760e+02
assign ( resid 33 and name HB1)
( resid 8 and name HE1)
6.0 0.1 0.1 peak 674 volume 2.140e+02
assign ( resid 33 and name HB1)
( resid 8 and name HD1)
6.0 0.1 0.1 peak 675 volume 3.580e+02
assign ( resid 33 and name HB2)
( resid 8 and name HD1)
6.0 0.1 0.1 peak 676 volume 4.030e+02
assign ( resid 33 and name HG2)
( resid 8 and name HD1)
6.0 0.1 0.1 peak 677 volume 3.260e+02
assign ( resid 8 and name HZ2)
( resid 8 and name HE1)
6.0 0.1 0.1 peak 678 volume 2.391e+03
assign ( resid 8 and name HD1)
( resid 8 and name HE1)
6.0 0.1 0.1 peak 679 volume 4.158e+03
assign ( resid 30 and name HE1)
( resid 30 and name HE1)
6.0 0.1 0.1 peak 680 volume 3.286e+04
assign ( resid 30 and name HD1)
( resid 30 and name HE1)
6.0 0.1 0.1 peak 681 volume 7.657e+03
assign ( resid 30 and name HZ2)
( resid 30 and name HE1)
6.0 0.1 0.1 peak 682 volume 2.663e+03
assign ( resid 19 and name HN)
( resid 19 and name HN)
6.0 0.1 0.1 peak 683 volume 2.394e+04
assign ( resid 11 and name HN)
( resid 11 and name HN)
6.0 0.1 0.1 peak 685 volume 1.221e+04
assign ( resid 11 and name HN)
( resid 19 and name HN)
6.0 0.1 0.1 peak 686 volume 8.810e+02
assign ( resid 14 and name HN)
( resid 14 and name HN)
6.0 0.1 0.1 peak 687 volume 6.909e+03
assign ( resid 15 and name HN)
( resid 14 and name HN)
6.0 0.1 0.1 peak 688 volume 9.750e+02
assign ( resid 7 and name HN)
( resid 7 and name HN)
6.0 0.1 0.1 peak 690 volume 1.330e+04
assign ( resid 6 and name HN)
( resid 7 and name HN)
6.0 0.1 0.1 peak 691 volume 4.690e+02
assign ( resid 8 and name HN)
( resid 7 and name HN)
6.0 0.1 0.1 peak 692 volume 2.073e+03
assign ( resid 6 and name HN)
( resid 6 and name HN)
6.0 0.1 0.1 peak 693 volume 2.237e+04
assign ( resid 8 and name HN)
( resid 8 and name HN)
6.0 0.1 0.1 peak 694 volume 1.039e+05
assign ( resid 30 and name HA)
( resid 20 and name HN)
6.0 0.1 0.1 peak 695 volume 6.380e+02
assign ( resid 30 and name HA)
( resid 30 and name HE3)
6.0 0.1 0.1 peak 696 volume 3.880e+03
assign ( resid 30 and name HA)
( resid 31 and name HN)
6.0 0.1 0.1 peak 697 volume 7.620e+02
assign ( resid 29 and name HA)
( resid 31 and name HN)
6.0 0.1 0.1 peak 698 volume 7.520e+02
assign ( resid 13 and name HA)
( resid 15 and name HN)
6.0 0.1 0.1 peak 699 volume 1.492e+03
assign ( resid 29 and name HB)
( resid 31 and name HN)
6.0 0.1 0.1 peak 700 volume 3.450e+02
assign ( resid 1 and name HA2)
( resid 1 and name HN)
6.0 0.1 0.1 peak 701 volume 1.279e+03
assign ( resid 1 and name HA2)
( resid 2 and name HN)
6.0 0.1 0.1 peak 702 volume 3.550e+03
assign ( resid 31 and name HN)
( resid 31 and name HN)
6.0 0.1 0.1 peak 703 volume 1.932e+04
assign ( resid 31 and name HN)
( resid 30 and name HN)
6.0 0.1 0.1 peak 704 volume 2.699e+03
assign ( resid 30 and name HN)
( resid 30 and name HN)
6.0 0.1 0.1 peak 705 volume 3.222e+04
assign ( resid 2 and name HA)
( resid 2 and name HB#)
6.0 0.1 0.1 peak 706 volume 6.684e+03
assign ( resid 2 and name HA)
( resid 2 and name HN)
6.0 0.1 0.1 peak 707 volume 8.160e+02
assign ( resid 2 and name HB#)
( resid 2 and name HN)
6.0 0.1 0.1 peak 708 volume 2.659e+03
assign ( resid 3 and name HB)
( resid 3 and name HG2#)
6.0 0.1 0.1 peak 709 volume 1.869e+03
assign ( resid 4 and name HA)
( resid 4 and name HB#)
6.0 0.1 0.1 peak 710 volume 1.688e+03
assign ( resid 3 and name HA)
( resid 3 and name HN)
6.0 0.1 0.1 peak 711 volume 1.421e+03
assign ( resid 3 and name HA)
( resid 4 and name HN)
6.0 0.1 0.1 peak 712 volume 5.624e+03
assign ( resid 3 and name HB)
( resid 4 and name HN)
6.0 0.1 0.1 peak 713 volume 1.073e+03
assign ( resid 3 and name HG2#)
( resid 3 and name HN)
6.0 0.1 0.1 peak 714 volume 1.225e+03
assign ( resid 3 and name HG2#)
( resid 4 and name HN)
6.0 0.1 0.1 peak 715 volume 6.960e+02
assign ( resid 19 and name HB2)
( resid 30 and name HE3)
6.0 0.1 0.1 peak 716 volume 1.205e+03
assign ( resid 19 and name HB1)
( resid 30 and name HE3)
6.0 0.1 0.1 peak 717 volume 7.130e+02
assign ( resid 17 and name HB2)
( resid 30 and name HE3)
6.0 0.1 0.1 peak 718 volume 6.940e+02
assign ( resid 13 and name HG2#)
( resid 30 and name HE3)
6.0 0.1 0.1 peak 719 volume 6.150e+02
assign ( resid 17 and name HB2)
( resid 19 and name HD#)
6.0 0.1 0.1 peak 720 volume 2.940e+02
assign ( resid 17 and name HB2)
( resid 30 and name HH2)
6.0 0.1 0.1 peak 721 volume 6.880e+02
assign ( resid 17 and name HB2)
( resid 30 and name HZ3)
6.0 0.1 0.1 peak 722 volume 2.136e+03
assign ( resid 17 and name HG2)
( resid 30 and name HH2)
6.0 0.1 0.1 peak 723 volume 1.277e+03
assign ( resid 17 and name HG2)
( resid 30 and name HZ3)
6.0 0.1 0.1 peak 724 volume 1.185e+03
assign ( resid 17 and name HB1)
( resid 30 and name HZ3)
6.0 0.1 0.1 peak 725 volume 3.710e+02
assign ( resid 19 and name HB1)
( resid 30 and name HZ3)
6.0 0.1 0.1 peak 726 volume 5.120e+02
assign ( resid 19 and name HB2)
( resid 30 and name HZ3)
6.0 0.1 0.1 peak 727 volume 7.950e+02
assign ( resid 34 and name HG2)
( resid 34 and name HE21)
6.0 0.1 0.1 peak 728 volume 8.840e+02
assign ( resid 34 and name HG2)
( resid 34 and name HE22)
6.0 0.1 0.1 peak 729 volume 4.520e+02
assign ( resid 34 and name HA)
( resid 34 and name HE21)
6.0 0.1 0.1 peak 730 volume 5.080e+02
assign ( resid 34 and name HE22)
( resid 34 and name HE21)
6.0 0.1 0.1 peak 731 volume 1.316e+04
assign ( resid 34 and name HE21)
( resid 34 and name HE21)
6.0 0.1 0.1 peak 732 volume 6.399e+04
assign ( resid 34 and name HE21)
( resid 34 and name HE22)
6.0 0.1 0.1 peak 733 volume 1.171e+04
assign ( resid 12 and name HA)
( resid 19 and name HD#)
6.0 0.1 0.1 peak 734 volume 6.910e+02
assign ( resid 12 and name HA)
( resid 19 and name HE#)
6.0 0.1 0.1 peak 735 volume 3.150e+02
assign ( resid 17 and name HA)
( resid 17 and name HG2)
6.0 0.1 0.1 peak 736 volume 4.380e+02
assign ( resid 21 and name HA)
( resid 21 and name HB2)
6.0 0.1 0.1 peak 737 volume 8.650e+02
assign ( resid 8 and name HA)
( resid 22 and name HA)
6.0 0.1 0.1 peak 738 volume 3.200e+02
assign ( resid 30 and name HA)
( resid 30 and name HB2)
6.0 0.1 0.1 peak 739 volume 1.391e+03
assign ( resid 30 and name HA)
( resid 30 and name HB1)
6.0 0.1 0.1 peak 740 volume 1.516e+03
assign ( resid 30 and name HB2)
( resid 30 and name HB1)
6.0 0.1 0.1 peak 741 volume 4.169e+03
assign ( resid 17 and name HD2)
( resid 17 and name HG2)
6.0 0.1 0.1 peak 742 volume 7.150e+02
assign ( resid 17 and name HD2)
( resid 17 and name HB1)
6.0 0.1 0.1 peak 743 volume 1.920e+03
assign ( resid 8 and name HB2)
( resid 36 and name HD1#)
6.0 0.1 0.1 peak 744 volume 3.840e+02
assign ( resid 8 and name HB2)
( resid 36 and name HD2#)
6.0 0.1 0.1 peak 745 volume 6.740e+02
assign ( resid 8 and name HB1)
( resid 36 and name HD1#)
6.0 0.1 0.1 peak 746 volume 5.120e+02
assign ( resid 8 and name HB1)
( resid 36 and name HD2#)
6.0 0.1 0.1 peak 747 volume 7.470e+02
assign ( resid 32 and name HD2)
( resid 32 and name HG2)
6.0 0.1 0.1 peak 748 volume 9.740e+02
assign ( resid 32 and name HD2)
( resid 32 and name HB1)
6.0 0.1 0.1 peak 749 volume 7.500e+02
assign ( resid 29 and name HG2#)
( resid 33 and name HG2)
6.0 0.1 0.1 peak 750 volume 3.530e+02
assign ( resid 29 and name HG2#)
( resid 33 and name HG1)
6.0 0.1 0.1 peak 751 volume 5.230e+02
assign ( residue 5 and name HG2# )
(residue 36 and name HD2# ) 3 1 1
! derived from the intermoleculeNOEsfile(s)
assign ( residue 13 and name HG2# ) (residue 108 and name HD2# ) 3 1 1
assign ( residue 13 and name HG2# ) (residue 108 and name HB1 ) 3 1 1
assign ( residue 13 and name HG2# ) (residue 108 and name HB2 ) 3 1 1
assign ( residue 11 and name HE# ) (residue 105 and name HB1 ) 2 1 1
assign ( residue 11 and name HE# ) (residue 105 and name HB2 ) 2 1 1
assign ( residue 11 and name HD# ) (residue 105 and name HB1 ) 2 1 1
assign ( residue 11 and name HD# ) (residue 105 and name HB2 ) 2 1 1
assign ( residue 11 and name HD# ) (residue 105 and name HA ) 3 1 1
assign ( residue 11 and name HE# ) (residue 105 and name HA ) 3 1 1
assign ( residue 11 and name HD# ) (residue 106 and name HD1 ) 3 1 1
assign ( residue 11 and name HD# ) (residue 106 and name HD2 ) 3 1 1
assign ( residue 11 and name HE# ) (residue 106 and name HD1 ) 3 1 1
assign ( residue 11 and name HE# ) (residue 106 and name HD2 ) 3 1 1
assign ( residue 11 and name HD# ) (residue 106 and name HG1 ) 3 1 1
assign ( residue 11 and name HD# ) (residue 106 and name HG2 ) 3 1 1
assign ( residue 11 and name HE# ) (residue 106 and name HG1 ) 3 1 1
assign ( residue 11 and name HE# ) (residue 106 and name HG2 ) 3 1 1
assign ( residue 21 and name HD# ) (residue 106 and name HG1 ) 3 1 1
assign ( residue 21 and name HD# ) (residue 106 and name HG2 ) 3 1 1
assign ( residue 21 and name HD# ) (residue 106 and name HB1 ) 3 1 1
assign ( residue 21 and name HD# ) (residue 106 and name HB2 ) 3 1 1
assign ( residue 21 and name HE# ) (residue 106 and name HG1 ) 3 1 1
assign ( residue 21 and name HE# ) (residue 106 and name HG2 ) 3 1 1
assign ( residue 21 and name HE# ) (residue 106 and name HB1 ) 3 1 1
assign ( residue 21 and name HE# ) (residue 106 and name HB2 ) 3 1 1
assign ( residue 19 and name HE# ) (residue 108 and name HB1 ) 3 1 1
assign ( residue 19 and name HE# ) (residue 108 and name HB2 ) 3 1 1
assign ( residue 19 and name HD# ) (residue 108 and name HB1 ) 3 1 1
assign ( residue 19 and name HD# ) (residue 108 and name HB2 ) 3 1 1
assign ( residue 19 and name HE# ) (residue 108 and name HD1# ) 3 1 1
assign ( residue 19 and name HE# ) (residue 108 and name HD2# ) 3 1 1
assign ( residue 19 and name HD# ) (residue 108 and name HD1# ) 3 1 1
assign ( residue 19 and name HD# ) (residue 108 and name HD2# ) 3 1 1
assign ( residue 30 and name HZ3 ) (residue 108 and name HD1# ) 3 2 2
assign ( residue 30 and name HE1 ) (residue 108 and name HG ) 3 1 1
assign ( residue 30 and name HZ3 ) (residue 108 and name HD2# ) 3 2 2
assign ( residue 30 and name HZ2 ) (residue 108 and name HG ) 3 1 1
assign ( residue 30 and name HZ2 ) (residue 108 and name HD1# ) 3 1 1
assign ( residue 30 and name HZ2 ) (residue 108 and name HD2# ) 3 1 1
assign ( residue 30 and name HH2 ) (residue 108 and name HD1# ) 3 1 1
assign ( residue 30 and name HH2 ) (residue 108 and name HD2# ) 3 1 1
assign ( residue 30 and name HH2 ) (residue 108 and name HG ) 3 1 1
assign ( residue 30 and name HD1 ) (residue 109 and name HG1 ) 3 1 1
assign ( residue 30 and name HD1 ) (residue 109 and name HG2 ) 3 1 1
assign ( residue 30 and name HD1 ) (residue 109 and name HD1 ) 3 1 1
assign ( residue 30 and name HD1 ) (residue 109 and name HD2 ) 3 1 1
assign ( residue 21 and name HD# ) (residue 109 and name HG1 ) 3 1 1
assign ( residue 21 and name HD# ) (residue 109 and name HG2 ) 3 1 1
assign ( residue 21 and name HD# ) (residue 109 and name HD1 ) 3 1 1
assign ( residue 21 and name HD# ) (residue 109 and name HD2 ) 3 1 1
assign ( residue 21 and name HE# ) (residue 109 and name HG1 ) 3 1 1
assign ( residue 21 and name HE# ) (residue 109 and name HG2 ) 3 1 1
assign ( residue 21 and name HE# ) (residue 109 and name HD1 ) 3 1 1
assign ( residue 21 and name HE# ) (residue 109 and name HD2 ) 3 1 1
assign ( residue 28 and name HB1 ) (residue 109 and name HG1 ) 3 1 1
assign ( residue 28 and name HB2 ) (residue 109 and name HG2 ) 3 1 1
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