============================================================================= 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 22 0.900 51.490 83.449 11.156 -99.200 -91.000 PHE 24 1.000 44.707 82.181 19.234 -99.200 -91.000 PHE 29 1.000 43.164 78.331 11.523 -99.200 -91.000 PHE 46 1.000 45.827 80.289 1.735 -99.200 -91.000 TYR 59 0.840 42.546 88.779 20.273 -99.200 -91.000 TRP 71 1.040 41.524 89.178 33.779 -99.200 -91.000 TRP6 71 1.020 41.425 90.488 35.748 -99.200 -91.000 HIS 93 0.900 50.218 73.216 47.706 -99.200 -91.000 TYR 95 0.840 50.742 80.732 38.749 -99.200 -91.000 TYR 96 0.840 55.027 74.578 37.324 -99.200 -91.000 PHE 99 1.000 47.793 80.952 28.631 -99.200 -91.000 TYR 101 0.840 45.026 75.836 20.184 -99.200 -91.000 HIS 103 0.900 55.719 80.539 22.900 -99.200 -91.000 PHE 124 1.000 41.808 73.626 38.901 -99.200 -91.000 TYR 127 0.840 38.586 75.986 28.253 -99.200 -91.000 TYR 130 0.840 36.439 66.387 28.835 -99.200 -91.000 TYR 143 0.840 49.245 59.428 24.938 -99.200 -91.000 TYR 145 0.840 56.666 67.102 27.183 -99.200 -91.000 TYR 146 0.840 55.152 63.415 30.498 -99.200 -91.000 TRP 157 1.040 51.937 64.237 34.782 -99.200 -91.000 TRP6 157 1.020 51.099 66.397 34.287 -99.200 -91.000 TRP 163 1.040 36.751 73.141 37.248 -99.200 -91.000 TRP6 163 1.020 36.597 75.451 37.740 -99.200 -91.000 HIS 166 0.900 34.100 74.313 44.140 -99.200 -91.000 HIS 167 0.900 31.306 74.819 47.756 -99.200 -91.000 PHE 173 1.000 29.991 81.432 36.340 -99.200 -91.000 HIS 176 0.900 31.766 88.484 39.436 -99.200 -91.000 HIS 183 0.900 26.510 97.762 38.477 -99.200 -91.000 PHE 184 1.000 20.121 95.108 33.577 -99.200 -91.000 PHE 196 1.000 22.538 81.790 33.282 -99.200 -91.000 HIS 199 0.900 33.394 78.900 21.014 -99.200 -91.000 TYR 212 0.840 30.729 73.699 26.014 -99.200 -91.000 TYR 229 0.840 14.781 78.204 39.645 -99.200 -91.000 TYR 233 0.840 17.171 79.635 33.127 -99.200 -91.000 TRP 237 1.040 24.069 76.923 23.120 -99.200 -91.000 TRP6 237 1.020 25.269 75.718 24.761 -99.200 -91.000 TRP 246 1.040 29.211 76.100 14.240 -99.200 -91.000 TRP6 246 1.020 31.020 76.508 15.707 -99.200 -91.000 PHE 273 1.000 37.980 81.547 29.201 -99.200 -91.000 HIS 277 0.900 36.985 84.291 26.726 -99.200 -91.000 TYR 282 0.840 35.181 92.057 17.978 -99.200 -91.000 TYR 288 0.840 27.099 88.655 19.566 -99.200 -91.000 PHE 313 1.000 37.725 81.327 39.181 -99.200 -91.000 HIS 322 0.900 42.499 70.818 51.275 -99.200 -91.000 HIS 324 0.900 42.695 65.885 41.607 -99.200 -91.000 PHE 353 1.000 49.984 60.736 31.127 -99.200 -91.000 PHE 354 1.000 45.724 62.930 32.686 -99.200 -91.000