============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 27 1.000 33.688 40.459 52.433 -99.200 -91.000 PHE 29 1.000 29.254 41.168 56.630 -99.200 -91.000 TYR 32 0.840 35.950 45.146 52.198 -99.200 -91.000 TRP 36 1.040 20.268 43.380 51.025 -99.200 -91.000 TRP6 36 1.020 20.126 41.064 50.552 -99.200 -91.000 TRP 47 1.040 21.856 51.563 46.645 -99.200 -91.000 TRP6 47 1.020 21.021 53.474 47.773 -99.200 -91.000 TYR 57 0.840 27.379 56.920 59.809 -99.200 -91.000 TYR 59 0.840 24.514 55.667 53.591 -99.200 -91.000 TYR 60 0.840 17.221 51.804 54.233 -99.200 -91.000 PHE 68 1.000 12.055 46.900 50.240 -99.200 -91.000 TYR 80 0.840 20.330 38.771 59.151 -99.200 -91.000 TYR 93 0.840 14.514 42.353 46.069 -99.200 -91.000 TYR 94 0.840 21.521 39.814 41.085 -99.200 -91.000 HIS 98 0.900 28.374 49.814 48.522 -99.200 -91.000 TRP 103 1.040 27.744 56.427 49.943 -99.200 -91.000 TRP6 103 1.020 27.907 57.437 47.810 -99.200 -91.000 TYR 105 0.840 34.322 50.496 42.865 -99.200 -91.000 PHE 106 1.000 26.171 48.526 44.059 -99.200 -91.000 TYR 108 0.840 34.815 40.593 44.836 -99.200 -91.000 TRP 109 1.040 27.642 42.957 41.452 -99.200 -91.000 TRP6 109 1.020 25.515 43.976 41.333 -99.200 -91.000 TYR 128 0.840 -1.115 18.621 29.006 -99.200 -91.000 TYR 145 0.840 5.239 26.954 34.954 -99.200 -91.000 PHE 146 1.000 2.334 32.713 40.160 -99.200 -91.000 TRP 154 1.040 14.409 17.814 26.250 -99.200 -91.000 TRP6 154 1.020 12.405 16.841 25.469 -99.200 -91.000 HIS 164 0.900 16.973 25.615 20.087 -99.200 -91.000 PHE 166 1.000 11.369 27.553 21.986 -99.200 -91.000 TYR 175 0.840 5.185 33.005 35.296 -99.200 -91.000 TRP 188 1.040 11.511 9.221 19.329 -99.200 -91.000 TRP6 188 1.020 9.620 9.787 18.038 -99.200 -91.000 HIS 199 0.900 5.850 24.807 40.107 -99.200 -91.000