============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 78 rings ring int. center anis. iso. HIS 2 0.900 66.376 37.308 10.872 -99.200 -91.000 PHE 3 1.000 62.661 29.086 12.639 -99.200 -91.000 HIS 10 0.900 79.098 26.742 7.830 -99.200 -91.000 PHE 11 1.000 74.717 23.918 14.486 -99.200 -91.000 TYR 18 0.840 73.982 30.395 16.930 -99.200 -91.000 TRP 26 1.040 68.135 19.310 35.367 -99.200 -91.000 TRP6 26 1.020 65.957 19.164 36.251 -99.200 -91.000 TYR 27 0.840 68.550 24.372 36.665 -99.200 -91.000 TYR 30 0.840 60.344 20.757 36.142 -99.200 -91.000 PHE 81 1.000 51.523 6.550 28.509 -99.200 -91.000 TYR 84 0.840 50.817 16.018 27.545 -99.200 -91.000 TYR 94 0.840 59.177 34.341 32.983 -99.200 -91.000 TYR 109 0.840 67.196 17.079 27.511 -99.200 -91.000 PHE 110 1.000 60.115 17.714 22.194 -99.200 -91.000 PHE 113 1.000 68.768 4.010 27.378 -99.200 -91.000 TRP 114 1.040 70.843 8.040 31.016 -99.200 -91.000 TRP6 114 1.020 71.640 5.819 31.113 -99.200 -91.000 TRP 116 1.040 68.340 12.609 34.475 -99.200 -91.000 TRP6 116 1.020 67.634 14.671 33.577 -99.200 -91.000 TYR 123 0.840 56.953 7.844 27.117 -99.200 -91.000 TRP 126 1.040 52.858 6.157 33.977 -99.200 -91.000 TRP6 126 1.020 53.396 8.172 32.873 -99.200 -91.000 TRP 141 1.040 73.498 1.165 37.152 -99.200 -91.000 TRP6 141 1.020 72.415 3.199 36.631 -99.200 -91.000 PHE 144 1.000 67.081 2.687 33.756 -99.200 -91.000 PHE 151 1.000 60.205 5.440 23.987 -99.200 -91.000 TYR 152 0.840 64.804 3.094 21.558 -99.200 -91.000 TYR 161 0.840 59.317 10.256 21.417 -99.200 -91.000 TYR 180 0.840 56.483 26.380 22.566 -99.200 -91.000 TRP 189 1.040 61.236 21.079 17.231 -99.200 -91.000 TRP6 189 1.020 60.284 22.221 19.061 -99.200 -91.000 TYR 210 0.840 69.667 4.088 18.948 -99.200 -91.000 TRP 213 1.040 62.436 5.859 18.642 -99.200 -91.000 TRP6 213 1.020 64.025 7.297 19.617 -99.200 -91.000 HIS 215 0.900 67.224 6.132 9.685 -99.200 -91.000 TYR 220 0.840 54.780 12.718 14.662 -99.200 -91.000 HIS 227 0.900 60.191 25.791 7.066 -99.200 -91.000 HIS 228 0.900 61.869 25.708 15.315 -99.200 -91.000 PHE 247 1.000 76.925 9.293 16.140 -99.200 -91.000 HIS 251 0.900 72.840 9.823 15.108 -99.200 -91.000 TYR 258 0.840 72.246 19.790 16.164 -99.200 -91.000 TYR 261 0.840 81.929 14.837 20.406 -99.200 -91.000 HIS 262 0.900 75.211 13.589 25.191 -99.200 -91.000 TRP 264 1.040 78.399 11.992 30.488 -99.200 -91.000 TRP6 264 1.020 78.704 13.758 32.022 -99.200 -91.000 TRP 268 1.040 81.105 6.825 29.219 -99.200 -91.000 TRP6 268 1.020 81.491 8.206 27.328 -99.200 -91.000 TRP 270 1.040 87.153 5.860 28.887 -99.200 -91.000 TRP6 270 1.020 86.653 7.383 27.161 -99.200 -91.000 PHE 271 1.000 89.378 11.997 36.525 -99.200 -91.000 TRP 280 1.040 94.779 14.657 32.940 -99.200 -91.000 TRP6 280 1.020 92.760 15.250 31.877 -99.200 -91.000 TRP 284 1.040 94.187 15.007 26.824 -99.200 -91.000 TRP6 284 1.020 92.210 16.199 26.375 -99.200 -91.000 TYR 290 0.840