============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 7 1.000 -12.716 5.161 34.480 -99.200 -91.000 PHE 26 1.000 -4.522 13.694 42.555 -99.200 -91.000 TYR 52 0.840 8.011 19.271 37.170 -99.200 -91.000 TYR 54 0.840 13.143 22.190 36.719 -99.200 -91.000 PHE 59 1.000 4.242 35.741 34.438 -99.200 -91.000 PHE 74 1.000 3.993 33.966 10.796 -99.200 -91.000 PHE 88 1.000 1.245 28.781 9.991 -99.200 -91.000 HIS 89 0.900 10.034 33.035 10.138 -99.200 -91.000 HIS 91 0.900 4.956 25.716 13.283 -99.200 -91.000 PHE 101 1.000 19.728 24.442 25.052 -99.200 -91.000 TYR 102 0.840 19.296 19.869 23.442 -99.200 -91.000 PHE 110 1.000 7.830 13.867 17.958 -99.200 -91.000 TYR 114 0.840 1.695 10.598 26.606 -99.200 -91.000 TYR 130 0.840 15.455 -7.818 22.036 -99.200 -91.000 HIS 138 0.900 6.887 11.079 32.253 -99.200 -91.000 TYR 142 0.840 7.515 1.434 32.309 -99.200 -91.000 PHE 155 1.000 18.041 -0.101 33.429 -99.200 -91.000 HIS 157 0.900 15.347 4.023 40.142 -99.200 -91.000 TYR 184 0.840 17.348 7.753 38.235 -99.200 -91.000 HIS 203 0.900 26.068 -5.722 26.894 -99.200 -91.000 HIS 213 0.900 11.801 16.735 35.511 -99.200 -91.000 PHE 217 1.000 17.991 22.927 35.624 -99.200 -91.000 PHE 218 1.000 21.531 18.830 36.154 -99.200 -91.000 TYR 226 0.840 23.698 15.250 26.362 -99.200 -91.000 PHE 237 1.000 18.252 8.033 18.161 -99.200 -91.000 PHE 242 1.000 9.605 23.161 22.146 -99.200 -91.000 PHE 252 1.000 13.811 19.222 22.936 -99.200 -91.000 HIS 257 0.900 21.348 7.468 12.118 -99.200 -91.000 PHE 260 1.000 16.174 12.880 14.838 -99.200 -91.000 TYR 270 0.840 6.754 15.640 12.444 -99.200 -91.000 PHE 272 1.000 -1.479 9.711 10.436 -99.200 -91.000 HIS 295 0.900 26.442 31.593 30.962 -99.200 -91.000 TRP 302 1.040 22.572 24.409 39.197 -99.200 -91.000 TRP6 302 1.020 22.104 22.248 40.028 -99.200 -91.000 HIS 309 0.900 19.518 18.555 49.412 -99.200 -91.000 PHE 317 1.000 10.815 19.174 57.073 -99.200 -91.000 TRP 343 1.040 -0.259 19.882 49.127 -99.200 -91.000 TRP6 343 1.020 -2.597 20.091 48.894 -99.200 -91.000 TYR 352 0.840 0.941 23.661 44.203 -99.200 -91.000 PHE 366 1.000 3.126 6.903 52.364 -99.200 -91.000 HIS 376 0.900 11.161 29.845 43.938 -99.200 -91.000 PHE 388 1.000 8.796 22.618 53.079 -99.200 -91.000