============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 17 0.840 15.967 37.642 31.343 -99.200 -91.000 PHE 30 1.000 20.302 46.347 31.247 -99.200 -91.000 HIS 49 0.900 21.496 39.294 21.301 -99.200 -91.000 TYR 53 0.840 11.930 33.817 18.861 -99.200 -91.000 TYR 64 0.840 24.405 58.139 36.657 -99.200 -91.000 HIS 108 0.900 21.371 64.057 33.114 -99.200 -91.000 TYR 111 0.840 14.758 59.868 40.258 -99.200 -91.000 HIS 126 0.900 22.727 59.481 53.395 -99.200 -91.000 TYR 128 0.840 12.400 61.093 53.177 -99.200 -91.000 PHE 141 1.000 13.708 43.500 46.333 -99.200 -91.000 PHE 150 1.000 7.522 33.768 57.081 -99.200 -91.000 TYR 152 0.840 12.155 26.751 49.178 -99.200 -91.000 PHE 158 1.000 2.401 24.914 57.482 -99.200 -91.000 HIS 173 0.900 16.736 42.381 52.776 -99.200 -91.000 PHE 181 1.000 6.655 32.803 62.358 -99.200 -91.000 PHE 193 1.000 3.231 29.006 62.003 -99.200 -91.000 TRP 221 1.040 18.715 32.544 39.620 -99.200 -91.000 TRP6 221 1.020 19.323 33.853 37.755 -99.200 -91.000 HIS 229 0.900 5.174 40.686 42.591 -99.200 -91.000 HIS 236 0.900 1.242 46.384 33.381 -99.200 -91.000 PHE 252 1.000 2.759 48.951 60.758 -99.200 -91.000 HIS 254 0.900 7.388 51.596 65.797 -99.200 -91.000 PHE 259 1.000 9.958 49.707 60.740 -99.200 -91.000 TRP 276 1.040 -0.897 44.215 56.714 -99.200 -91.000 TRP6 276 1.020 0.618 42.508 56.116 -99.200 -91.000 TYR 281 0.840 7.666 36.732 68.438 -99.200 -91.000 TYR 297 0.840 19.991 58.304 58.182 -99.200 -91.000