============================================================================= 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. TYR 7 0.840 17.677 37.406 -1.838 -99.200 -91.000 TRP 10 1.040 15.711 42.398 5.866 -99.200 -91.000 TRP6 10 1.020 13.715 43.627 6.132 -99.200 -91.000 HIS 21 0.900 16.892 68.061 5.089 -99.200 -91.000 TYR 28 0.840 16.717 62.532 15.325 -99.200 -91.000 TYR 32 0.840 23.063 62.517 5.926 -99.200 -91.000 TRP 36 1.040 12.901 52.909 -2.371 -99.200 -91.000 TRP6 36 1.020 12.409 51.244 -0.776 -99.200 -91.000 TYR 39 0.840 8.711 50.797 -3.723 -99.200 -91.000 PHE 52 1.000 25.180 51.459 9.963 -99.200 -91.000 HIS 64 0.900 4.076 46.117 18.194 -99.200 -91.000 PHE 80 1.000 28.989 48.785 5.749 -99.200 -91.000 TYR 81 0.840 22.951 55.072 2.004 -99.200 -91.000 PHE 86 1.000 10.401 62.337 7.599 -99.200 -91.000 TYR 89 0.840 2.101 65.359 12.350 -99.200 -91.000 TYR 95 0.840 2.520 65.440 18.371 -99.200 -91.000 TYR 111 0.840 -3.874 55.716 19.505 -99.200 -91.000 TYR 122 0.840 7.730 42.263 18.293 -99.200 -91.000 PHE 128 1.000 15.334 41.345 19.814 -99.200 -91.000 HIS 130 0.900 14.655 51.303 23.591 -99.200 -91.000 HIS 144 0.900 -3.481 62.638 17.825 -99.200 -91.000 PHE 151 1.000 15.087 58.252 17.074 -99.200 -91.000 TYR 160 0.840 21.427 59.880 26.590 -99.200 -91.000 HIS 163 0.900 29.383 53.638 35.160 -99.200 -91.000 PHE 168 1.000 24.722 53.690 32.613 -99.200 -91.000 TRP 172 1.040 13.979 59.062 30.724 -99.200 -91.000 TRP6 172 1.020 14.919 61.232 30.742 -99.200 -91.000 TYR 180 0.840 23.994 46.333 42.832 -99.200 -91.000 PHE 183 1.000 21.614 49.325 31.712 -99.200 -91.000 TRP 190 1.040 13.391 53.528 37.156 -99.200 -91.000 TRP6 190 1.020 13.034 53.290 39.503 -99.200 -91.000 PHE 192 1.000 5.251 52.364 29.635 -99.200 -91.000 TRP 197 1.040 6.365 62.833 36.262 -99.200 -91.000 TRP6 197 1.020 7.559 64.771 35.561 -99.200 -91.000 TYR 202 0.840 -0.179 67.900 27.364 -99.200 -91.000 TYR 207 0.840 13.554 61.508 39.150 -99.200 -91.000 TYR 216 0.840 21.480 53.957 44.189 -99.200 -91.000 TYR 223 0.840 11.357 62.813 45.272 -99.200 -91.000 TYR 236 0.840 1.796 59.121 41.140 -99.200 -91.000 TRP 243 1.040 9.096 55.280 38.155 -99.200 -91.000 TRP6 243 1.020 7.828 57.232 38.565 -99.200 -91.000 TRP 245 1.040 15.685 49.274 46.001 -99.200 -91.000 TRP6 245 1.020 16.873 51.280 45.496 -99.200 -91.000 PHE 253 1.000 7.843 47.251 29.202 -99.200 -91.000 HIS 257 0.900 -1.154 46.146 24.972 -99.200 -91.000 PHE 260 1.000 -0.944 52.617 30.294 -99.200 -91.000 PHE 264 1.000 -7.243 53.960 23.128 -99.200 -91.000