============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 15 0.840 19.244 9.150 40.720 -99.200 -91.000 TYR 30 0.840 30.972 0.184 59.505 -99.200 -91.000 TRP 59 1.040 28.532 16.257 50.026 -99.200 -91.000 TRP6 59 1.020 27.889 16.067 47.761 -99.200 -91.000 PHE 64 1.000 31.862 16.063 47.334 -99.200 -91.000 HIS 74 0.900 25.786 5.306 49.075 -99.200 -91.000 HIS 93 0.900 36.524 2.399 51.729 -99.200 -91.000 PHE 109 1.000 15.425 11.956 51.106 -99.200 -91.000 HIS 120 0.900 4.941 21.082 54.765 -99.200 -91.000 TYR 143 0.840 -24.050 17.764 44.057 -99.200 -91.000 HIS 145 0.900 -25.477 7.171 41.581 -99.200 -91.000 TRP 154 1.040 -18.186 24.738 53.041 -99.200 -91.000 TRP6 154 1.020 -17.446 23.915 50.956 -99.200 -91.000 PHE 157 1.000 -16.770 18.942 49.838 -99.200 -91.000 HIS 161 0.900 -12.864 15.873 50.288 -99.200 -91.000 PHE 207 1.000 17.826 3.740 61.083 -99.200 -91.000 PHE 223 1.000 13.550 0.880 52.516 -99.200 -91.000 PHE 227 1.000 7.380 8.044 50.734 -99.200 -91.000 HIS 237 0.900 -7.728 9.317 51.018 -99.200 -91.000 TYR 248 0.840 -18.624 20.973 45.162 -99.200 -91.000 PHE 253 1.000 -21.922 21.437 40.037 -99.200 -91.000 PHE 255 1.000 -22.702 24.398 44.899 -99.200 -91.000 PHE 262 1.000 -2.875 28.895 46.910 -99.200 -91.000 PHE 289 1.000 -1.010 3.342 39.642 -99.200 -91.000 TYR 306 0.840 22.531 -4.342 45.327 -99.200 -91.000 TYR 361 0.840 -46.061 13.949 56.632 -99.200 -91.000 PHE 369 1.000 -38.030 4.371 52.584 -99.200 -91.000 HIS 373 0.900 -38.472 4.977 46.579 -99.200 -91.000 HIS 381 0.900 -44.271 11.689 36.295 -99.200 -91.000 PHE 405 1.000 -48.010 13.000 51.354 -99.200 -91.000 PHE 413 1.000 -42.439 20.117 51.129 -99.200 -91.000 PHE 415 1.000 -33.990 22.958 51.120 -99.200 -91.000 TYR 422 0.840 -29.917 12.669 57.721 -99.200 -91.000