============================================================================= 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 -12.564 5.361 34.863 -99.200 -91.000 PHE 26 1.000 -3.415 14.753 44.436 -99.200 -91.000 TYR 52 0.840 7.889 20.128 39.221 -99.200 -91.000 TYR 54 0.840 13.243 22.545 36.955 -99.200 -91.000 PHE 59 1.000 4.342 35.957 34.721 -99.200 -91.000 PHE 74 1.000 3.952 34.279 11.028 -99.200 -91.000 PHE 88 1.000 1.290 29.079 10.255 -99.200 -91.000 HIS 89 0.900 9.863 33.433 10.734 -99.200 -91.000 HIS 91 0.900 4.989 26.020 13.502 -99.200 -91.000 PHE 101 1.000 19.941 24.830 25.197 -99.200 -91.000 TYR 102 0.840 19.526 20.161 23.606 -99.200 -91.000 PHE 110 1.000 7.984 14.133 18.174 -99.200 -91.000 TYR 114 0.840 1.732 10.914 26.920 -99.200 -91.000 TYR 130 0.840 15.371 -7.689 22.458 -99.200 -91.000 HIS 138 0.900 6.876 11.515 32.506 -99.200 -91.000 TYR 142 0.840 7.597 2.016 32.751 -99.200 -91.000 PHE 155 1.000 18.120 0.142 33.653 -99.200 -91.000 HIS 157 0.900 15.323 4.240 40.575 -99.200 -91.000 TYR 184 0.840 15.776 8.420 36.241 -99.200 -91.000 HIS 203 0.900 26.037 -5.668 27.132 -99.200 -91.000 HIS 213 0.900 11.677 17.197 35.511 -99.200 -91.000 PHE 217 1.000 18.142 23.195 35.749 -99.200 -91.000 PHE 218 1.000 21.723 19.073 36.279 -99.200 -91.000 TYR 226 0.840 23.856 15.510 26.457 -99.200 -91.000 PHE 237 1.000 18.253 8.266 18.300 -99.200 -91.000 PHE 242 1.000 9.732 23.495 22.633 -99.200 -91.000 PHE 252 1.000 14.018 19.482 23.247 -99.200 -91.000 HIS 257 0.900 21.321 7.638 12.303 -99.200 -91.000 PHE 260 1.000 16.252 13.104 15.016 -99.200 -91.000 TYR 270 0.840 6.769 15.852 12.699 -99.200 -91.000 PHE 272 1.000 -1.507 10.089 10.640 -99.200 -91.000 HIS 295 0.900 26.626 31.993 31.025 -99.200 -91.000 TRP 302 1.040 22.778 24.654 39.344 -99.200 -91.000 TRP6 302 1.020 22.279 22.496 40.165 -99.200 -91.000 HIS 309 0.900 19.609 18.643 49.467 -99.200 -91.000 PHE 317 1.000 11.120 19.458 57.241 -99.200 -91.000 TRP 343 1.040 -0.097 20.316 49.496 -99.200 -91.000 TRP6 343 1.020 -2.407 20.762 49.341 -99.200 -91.000 TYR 352 0.840 1.159 24.174 44.411 -99.200 -91.000 PHE 366 1.000 2.954 6.987 52.743 -99.200 -91.000 HIS 376 0.900 11.432 30.226 44.268 -99.200 -91.000 PHE 388 1.000 9.048 22.911 53.299 -99.200 -91.000