============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 23 0.900 33.850 19.321 47.264 -99.200 -91.000 PHE 30 1.000 23.058 35.541 50.046 -99.200 -91.000 PHE 31 1.000 30.090 37.906 41.958 -99.200 -91.000 PHE 40 1.000 23.577 52.547 39.993 -99.200 -91.000 TYR 41 0.840 27.340 49.437 35.717 -99.200 -91.000 TYR 44 0.840 22.470 53.528 26.653 -99.200 -91.000 PHE 51 1.000 18.541 68.085 36.119 -99.200 -91.000 TYR 68 0.840 23.122 41.698 47.117 -99.200 -91.000 PHE 75 1.000 29.759 43.339 43.727 -99.200 -91.000 HIS 84 0.900 35.050 56.032 46.988 -99.200 -91.000 TRP 95 1.040 32.468 75.997 43.180 -99.200 -91.000 TRP6 95 1.020 33.279 77.600 44.723 -99.200 -91.000 PHE 97 1.000 39.247 72.936 46.978 -99.200 -91.000 HIS 105 0.900 43.318 60.312 47.675 -99.200 -91.000 HIS 108 0.900 44.141 59.570 40.476 -99.200 -91.000 TRP 114 1.040 41.766 46.821 38.502 -99.200 -91.000 TRP6 114 1.020 41.638 47.409 36.213 -99.200 -91.000 PHE 118 1.000 44.203 44.584 33.169 -99.200 -91.000 HIS 125 0.900 32.591 50.439 26.679 -99.200 -91.000 PHE 127 1.000 36.852 46.784 36.089 -99.200 -91.000 TRP 129 1.040 31.191 55.037 31.149 -99.200 -91.000 TRP6 129 1.020 30.334 55.272 33.342 -99.200 -91.000 PHE 139 1.000 38.908 68.870 42.720 -99.200 -91.000 PHE 141 1.000 36.191 75.777 33.977 -99.200 -91.000 TYR 142 0.840 32.266 73.115 37.201 -99.200 -91.000 PHE 143 1.000 35.366 72.746 43.558 -99.200 -91.000 HIS 144 0.900 43.131 77.445 37.581 -99.200 -91.000 PHE 167 1.000 43.028 79.144 34.601 -99.200 -91.000 PHE 173 1.000 37.500 82.508 23.398 -99.200 -91.000 TYR 177 0.840 39.580 83.607 18.933 -99.200 -91.000 PHE 186 1.000 27.391 76.943 43.003 -99.200 -91.000 TYR 189 0.840 22.509 84.326 38.911 -99.200 -91.000 HIS 202 0.900 31.996 94.557 30.580 -99.200 -91.000 TRP 203 1.040 28.506 89.651 38.157 -99.200 -91.000 TRP6 203 1.020 29.974 88.416 36.762 -99.200 -91.000 HIS 223 0.900 25.431 88.388 20.049 -99.200 -91.000 PHE 224 1.000 21.994 92.500 25.546 -99.200 -91.000 TYR 225 0.840 26.980 95.990 20.220 -99.200 -91.000 TYR 233 0.840 28.150 91.761 28.162 -99.200 -91.000 PHE 234 1.000 29.427 85.788 21.642 -99.200 -91.000 HIS 241 0.900 22.832 73.821 41.208 -99.200 -91.000 PHE 242 1.000 28.937 74.881 38.823 -99.200 -91.000 PHE 248 1.000 35.015 88.305 22.490 -99.200 -91.000 HIS 258 0.900 35.450 83.116 15.635 -99.200 -91.000 PHE 259 1.000 34.741 85.302 19.252 -99.200 -91.000 PHE 262 1.000 36.540 78.912 24.267 -99.200 -91.000 PHE 276 1.000 25.886 59.039 34.438 -99.200 -91.000