============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 14 0.900 23.819 41.382 115.730 -99.200 -91.000 TYR 22 0.840 12.922 42.053 102.320 -99.200 -91.000 PHE 30 1.000 11.354 37.280 101.126 -99.200 -91.000 TYR 35 0.840 28.284 32.763 110.025 -99.200 -91.000 TYR 38 0.840 32.608 36.981 115.895 -99.200 -91.000 TYR 40 0.840 30.516 41.135 105.028 -99.200 -91.000 HIS 51 0.900 14.370 27.317 100.295 -99.200 -91.000 TYR 60 0.840 20.342 23.985 100.865 -99.200 -91.000 PHE 63 1.000 23.575 22.251 104.187 -99.200 -91.000 TRP 64 1.040 26.721 28.106 100.998 -99.200 -91.000 TRP6 64 1.020 28.282 28.861 99.383 -99.200 -91.000 HIS 71 0.900 37.498 31.566 101.004 -99.200 -91.000 PHE 80 1.000 11.479 32.949 98.692 -99.200 -91.000 TRP 85 1.040 6.690 32.552 99.936 -99.200 -91.000 TRP6 85 1.020 6.624 34.101 98.145 -99.200 -91.000 TYR 91 0.840 12.398 27.913 96.351 -99.200 -91.000 PHE 97 1.000 2.176 30.630 83.859 -99.200 -91.000 HIS 105 0.900 6.716 43.491 84.483 -99.200 -91.000 TRP 109 1.040 7.188 36.320 86.974 -99.200 -91.000 TRP6 109 1.020 8.232 35.054 85.272 -99.200 -91.000 TYR 111 0.840 12.044 32.553 89.300 -99.200 -91.000 TYR 133 0.840 31.203 35.479 94.245 -99.200 -91.000 PHE 135 1.000 24.891 26.338 95.914 -99.200 -91.000 HIS 137 0.900 21.573 20.428 96.012 -99.200 -91.000 PHE 143 1.000 14.290 31.706 93.601 -99.200 -91.000 HIS 145 0.900 16.894 26.350 85.493 -99.200 -91.000 HIS 152 0.900 21.303 37.760 83.169 -99.200 -91.000 PHE 155 1.000 21.532 38.322 90.753 -99.200 -91.000 HIS 156 0.900 32.173 38.702 90.098 -99.200 -91.000 TRP 165 1.040 11.399 20.655 86.108 -99.200 -91.000 TRP6 165 1.020 10.130 21.351 84.212 -99.200 -91.000 TYR 166 0.840 18.675 21.844 84.227 -99.200 -91.000 PHE 171 1.000 10.917 33.264 73.891 -99.200 -91.000 HIS 173 0.900 9.098 22.781 74.478 -99.200 -91.000 PHE 175 1.000 8.594 29.907 83.912 -99.200 -91.000 HIS 188 0.900 13.293 39.205 79.425 -99.200 -91.000 TYR 195 0.840 25.748 35.930 84.644 -99.200 -91.000 HIS 222 0.900 20.897 10.049 85.471 -99.200 -91.000 TYR 224 0.840 26.455 13.243 85.249 -99.200 -91.000 HIS 229 0.900 17.424 17.766 77.220 -99.200 -91.000 TYR 230 0.840 19.594 24.965 81.429 -99.200 -91.000 TYR 231 0.840 27.522 22.978 78.175 -99.200 -91.000 PHE 245 1.000 26.300 27.862 75.758 -99.200 -91.000 TRP 247 1.040 24.160 29.234 79.824 -99.200 -91.000 TRP6 247 1.020 22.353 27.780 79.310 -99.200 -91.000 HIS 257 0.900 19.302 16.191 94.828 -99.200 -91.000 TRP 269 1.040 31.287 30.778 92.625 -99.200 -91.000 TRP6 269 1.020 29.214 30.941 93.774 -99.200 -91.000 PHE 270 1.000 33.631 33.054 97.381 -99.200 -91.000