============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 17 1.000 19.938 103.291 90.668 -99.200 -91.000 TRP 28 1.040 11.030 96.284 94.229 -99.200 -91.000 TRP6 28 1.020 11.467 98.311 93.081 -99.200 -91.000 TRP 38 1.040 34.764 90.309 100.584 -99.200 -91.000 TRP6 38 1.020 34.202 91.374 98.549 -99.200 -91.000 TYR 48 0.840 42.177 96.888 95.669 -99.200 -91.000 TRP 54 1.040 48.248 88.204 100.056 -99.200 -91.000 TRP6 54 1.020 48.099 86.138 101.211 -99.200 -91.000 PHE 56 1.000 42.869 80.257 93.809 -99.200 -91.000 PHE 58 1.000 39.043 90.377 97.167 -99.200 -91.000 TYR 61 0.840 36.037 85.283 102.801 -99.200 -91.000 PHE 86 1.000 16.271 95.831 92.607 -99.200 -91.000 PHE 87 1.000 21.066 88.235 93.471 -99.200 -91.000 TYR 92 0.840 26.380 84.777 85.952 -99.200 -91.000 TYR 96 0.840 32.692 84.407 82.536 -99.200 -91.000 PHE 98 1.000 35.893 93.717 89.921 -99.200 -91.000 TYR 103 0.840 45.049 84.089 82.550 -99.200 -91.000 TRP 113 1.040 42.204 81.928 83.641 -99.200 -91.000 TRP6 113 1.020 40.401 83.293 84.387 -99.200 -91.000 TYR 116 0.840 37.657 82.649 90.016 -99.200 -91.000 TRP 119 1.040 35.758 77.342 94.286 -99.200 -91.000 TRP6 119 1.020 34.897 79.536 94.189 -99.200 -91.000 HIS 120 0.900 32.146 81.426 88.220 -99.200 -91.000 TRP 122 1.040 31.166 70.756 91.749 -99.200 -91.000 TRP6 122 1.020 30.775 71.152 94.055 -99.200 -91.000 PHE 127 1.000 24.886 76.297 95.534 -99.200 -91.000 TYR 138 0.840 27.702 99.100 82.145 -99.200 -91.000 HIS 148 0.900 35.563 113.951 92.470 -99.200 -91.000 TYR 151 0.840 41.466 109.981 94.235 -99.200 -91.000 TYR 165 0.840 42.129 97.118 89.217 -99.200 -91.000 HIS 170 0.900 34.340 102.489 80.933 -99.200 -91.000 TYR 171 0.840 39.440 100.518 78.174 -99.200 -91.000 HIS 173 0.900 32.028 96.210 84.900 -99.200 -91.000 TRP 176 1.040 28.808 90.502 80.859 -99.200 -91.000 TRP6 176 1.020 28.565 90.888 83.182 -99.200 -91.000 HIS 179 0.900 31.055 98.176 72.968 -99.200 -91.000 PHE 186 1.000 28.264 80.509 83.969 -99.200 -91.000 TYR 188 0.840 21.432 82.628 82.889 -99.200 -91.000 PHE 203 1.000 24.511 111.820 95.588 -99.200 -91.000 TYR 207 0.840 21.478 108.653 91.708 -99.200 -91.000 PHE 217 1.000 15.674 95.882 83.153 -99.200 -91.000