============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 3 0.840 37.435 9.743 54.225 -99.200 -91.000 PHE 6 1.000 38.797 5.409 47.400 -99.200 -91.000 PHE 16 1.000 42.614 -4.054 34.270 -99.200 -91.000 HIS 32 0.900 35.489 -4.152 53.957 -99.200 -91.000 TYR 35 0.840 30.207 -4.701 55.103 -99.200 -91.000 PHE 42 1.000 13.867 -10.211 49.620 -99.200 -91.000 TRP 45 1.040 25.159 -9.219 46.864 -99.200 -91.000 TRP6 45 1.020 24.037 -7.204 47.294 -99.200 -91.000 PHE 76 1.000 36.310 -9.534 41.541 -99.200 -91.000 PHE 79 1.000 26.717 -14.837 36.641 -99.200 -91.000 TYR 85 0.840 14.678 -10.051 44.317 -99.200 -91.000 TRP 89 1.040 17.932 -16.012 53.046 -99.200 -91.000 TRP6 89 1.020 17.831 -13.668 52.693 -99.200 -91.000 TRP 90 1.040 13.401 -10.283 54.219 -99.200 -91.000 TRP6 90 1.020 11.974 -9.762 56.003 -99.200 -91.000 PHE 93 1.000 20.546 -12.536 56.542 -99.200 -91.000 HIS 94 0.900 16.498 -9.806 57.050 -99.200 -91.000 TYR 115 0.840 7.102 -3.094 46.307 -99.200 -91.000 PHE 116 1.000 9.399 -8.536 45.928 -99.200 -91.000 HIS 119 0.900 4.587 -1.814 43.090 -99.200 -91.000 PHE 135 1.000 28.408 -7.218 45.239 -99.200 -91.000 TYR 144 0.840 41.474 -4.238 49.804 -99.200 -91.000 TYR 146 0.840 44.917 -5.585 43.157 -99.200 -91.000 PHE 155 1.000 27.061 -10.285 30.421 -99.200 -91.000 TYR 161 0.840 34.762 -21.045 29.163 -99.200 -91.000 TRP 167 1.040 22.627 -17.928 39.969 -99.200 -91.000 TRP6 167 1.020 24.866 -18.166 40.633 -99.200 -91.000 HIS 184 0.900 35.494 10.528 36.519 -99.200 -91.000 PHE 192 1.000 23.068 15.126 36.637 -99.200 -91.000