============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. PHE 11 1.000 52.690 25.258 26.530 -99.200 -91.000 PHE 21 1.000 51.837 29.955 11.247 -99.200 -91.000 PHE 30 1.000 49.334 18.873 2.640 -99.200 -91.000 TYR 31 0.840 43.692 19.671 1.755 -99.200 -91.000 PHE 51 1.000 39.823 30.419 11.108 -99.200 -91.000 TRP 58 1.040 34.519 26.442 20.152 -99.200 -91.000 TRP6 58 1.020 34.174 24.092 20.165 -99.200 -91.000 TYR 61 0.840 25.673 25.713 17.663 -99.200 -91.000 TYR 63 0.840 33.888 25.849 26.118 -99.200 -91.000 PHE 67 1.000 35.574 20.656 25.216 -99.200 -91.000 PHE 73 1.000 25.873 8.669 23.537 -99.200 -91.000 PHE 74 1.000 22.811 16.000 23.764 -99.200 -91.000 TRP 79 1.040 28.926 27.296 30.403 -99.200 -91.000 TRP6 79 1.020 30.545 25.553 30.539 -99.200 -91.000 TYR 95 0.840 42.247 33.934 34.327 -99.200 -91.000 TYR 97 0.840 35.605 34.574 28.074 -99.200 -91.000 HIS 99 0.900 41.136 24.540 29.515 -99.200 -91.000 PHE 102 1.000 44.808 23.713 22.905 -99.200 -91.000 PHE 106 1.000 43.321 20.556 19.392 -99.200 -91.000 PHE 124 1.000 31.884 29.774 -0.422 -99.200 -91.000 PHE 130 1.000 30.385 17.948 5.623 -99.200 -91.000 TRP 134 1.040 31.347 15.767 10.051 -99.200 -91.000 TRP6 134 1.020 33.335 16.662 10.959 -99.200 -91.000 TYR 139 0.840 35.631 19.062 16.733 -99.200 -91.000 HIS 144 0.900 29.849 15.913 26.361 -99.200 -91.000 TRP 147 1.040 40.176 15.385 23.971 -99.200 -91.000 TRP6 147 1.020 40.454 16.422 21.849 -99.200 -91.000 HIS 155 0.900 32.616 2.809 28.575 -99.200 -91.000 PHE 160 1.000 48.491 14.764 25.909 -99.200 -91.000 HIS 167 0.900 44.827 14.154 12.907 -99.200 -91.000 TYR 179 0.840 29.654 6.049 -2.204 -99.200 -91.000 HIS 182 0.900 49.102 24.856 -8.440 -99.200 -91.000 PHE 188 1.000 59.658 22.873 2.806 -99.200 -91.000 TYR 195 0.840 57.971 19.931 12.573 -99.200 -91.000 TRP 198 1.040 50.207 17.990 14.869 -99.200 -91.000 TRP6 198 1.020 49.379 17.486 12.702 -99.200 -91.000 PHE 199 1.000 56.923 20.803 17.346 -99.200 -91.000 PHE 201 1.000 46.047 19.003 16.724 -99.200 -91.000 PHE 217 1.000 58.366 21.495 21.429 -99.200 -91.000 TRP 231 1.040 55.844 8.705 2.130 -99.200 -91.000 TRP6 231 1.020 53.543 8.862 2.691 -99.200 -91.000 PHE 233 1.000 63.863 1.248 3.561 -99.200 -91.000 TRP 236 1.040 66.484 4.112 -2.320 -99.200 -91.000 TRP6 236 1.020 66.852 1.925 -1.468 -99.200 -91.000 TYR 264 0.840 47.590 9.705 27.155 -99.200 -91.000 TRP 283 1.040 49.233 -1.033 2.576 -99.200 -91.000 TRP6 283 1.020 47.053 -0.616 3.415 -99.200 -91.000 PHE 292 1.000 40.323 5.926 5.763 -99.200 -91.000 HIS 295 0.900 45.175 14.353 8.176 -99.200 -91.000 PHE 309 1.000 55.190 0.948 21.180 -99.200 -91.000 PHE 319 1.000 48.459 0.224 29.064 -99.200 -91.000 HIS 327 0.900 39.575 -2.215 29.910 -99.200 -91.000 TRP 342 1.040 28.470 10.674 16.237 -99.200 -91.000 TRP6 342 1.020 27.279 9.959 18.150 -99.200 -91.000 PHE 348 1.000 24.073 8.681 2.929 -99.200 -91.000 TYR 351 0.840 29.727 15.354 2.517 -99.200 -91.000