============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 9 1.000 23.399 41.105 37.040 -99.200 -91.000 HIS 30 0.900 -2.236 46.598 15.165 -99.200 -91.000 TYR 36 0.840 0.942 49.379 19.187 -99.200 -91.000 TYR 38 0.840 4.572 51.047 24.884 -99.200 -91.000 TRP 39 1.040 13.477 49.883 25.187 -99.200 -91.000 TRP6 39 1.020 14.618 47.984 25.977 -99.200 -91.000 TYR 40 0.840 7.330 51.232 31.023 -99.200 -91.000 HIS 49 0.900 12.254 57.250 34.591 -99.200 -91.000 TYR 53 0.840 5.701 57.487 22.696 -99.200 -91.000 HIS 54 0.900 3.006 54.049 19.981 -99.200 -91.000 PHE 66 1.000 18.522 57.304 28.258 -99.200 -91.000 PHE 75 1.000 11.420 44.179 20.508 -99.200 -91.000 TYR 90 0.840 18.263 51.806 31.503 -99.200 -91.000 TYR 91 0.840 12.239 46.466 35.285 -99.200 -91.000 HIS 94 0.900 2.827 42.349 25.813 -99.200 -91.000 PHE 102 1.000 5.432 45.448 33.055 -99.200 -91.000 PHE 122 1.000 29.993 54.937 63.047 -99.200 -91.000 PHE 139 1.000 27.536 52.939 58.522 -99.200 -91.000 PHE 143 1.000 32.930 49.052 48.437 -99.200 -91.000 TYR 144 0.840 34.054 50.492 39.819 -99.200 -91.000 TRP 152 1.040 32.622 42.389 61.805 -99.200 -91.000 TRP6 152 1.020 32.588 44.376 63.058 -99.200 -91.000 TRP 167 1.040 27.924 43.698 50.033 -99.200 -91.000 TRP6 167 1.020 26.898 41.845 51.099 -99.200 -91.000 TYR 177 0.840 29.030 49.037 43.017 -99.200 -91.000 TYR 190 0.840 30.342 45.815 73.701 -99.200 -91.000 HIS 193 0.900 35.085 38.072 74.201 -99.200 -91.000 TYR 196 0.840 33.943 43.981 70.905 -99.200 -91.000 HIS 202 0.900 38.089 47.975 46.808 -99.200 -91.000 PHE 213 1.000 34.410 49.459 69.752 -99.200 -91.000