============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 4 0.840 33.354-224.658 39.321 -99.200 -91.000 PHE 11 1.000 31.506-216.649 45.673 -99.200 -91.000 PHE 18 1.000 39.503-224.362 44.591 -99.200 -91.000 TYR 22 0.840 45.130-222.536 42.892 -99.200 -91.000 PHE 44 1.000 55.405-203.833 63.141 -99.200 -91.000 HIS 69 0.900 50.566-193.299 62.533 -99.200 -91.000 TYR 74 0.840 56.009-206.314 52.157 -99.200 -91.000 HIS 83 0.900 49.901-202.189 43.755 -99.200 -91.000 PHE 95 1.000 41.824-190.746 59.037 -99.200 -91.000 TYR 99 0.840 38.528-187.539 58.115 -99.200 -91.000 PHE 108 1.000 47.907-198.489 57.100 -99.200 -91.000 TYR 115 0.840 44.681-201.217 46.727 -99.200 -91.000 HIS 119 0.900 43.687-205.247 43.896 -99.200 -91.000 TYR 122 0.840 36.143-205.584 40.262 -99.200 -91.000 PHE 128 1.000 47.395-206.359 46.486 -99.200 -91.000 PHE 134 1.000 48.182-203.661 58.969 -99.200 -91.000 HIS 143 0.900 45.333-199.885 68.168 -99.200 -91.000 TYR 145 0.840 44.556-204.173 63.185 -99.200 -91.000 TYR 153 0.840 41.073-205.744 58.715 -99.200 -91.000 TRP 154 1.040 40.332-212.073 61.863 -99.200 -91.000 TRP6 154 1.020 38.103-211.325 62.141 -99.200 -91.000 TYR 156 0.840 46.239-212.121 64.041 -99.200 -91.000 HIS 178 0.900 55.105-219.825 79.841 -99.200 -91.000 TYR 196 0.840 69.445-215.407 65.093 -99.200 -91.000 HIS 199 0.900 67.642-219.232 58.869 -99.200 -91.000 PHE 207 1.000 68.892-215.675 60.178 -99.200 -91.000 TRP 213 1.040 62.143-199.918 68.548 -99.200 -91.000 TRP6 213 1.020 62.644-200.008 70.859 -99.200 -91.000 HIS 223 0.900 58.763-198.359 61.574 -99.200 -91.000 PHE 225 1.000 63.492-199.797 59.369 -99.200 -91.000 PHE 237 1.000 66.752-213.134 74.918 -99.200 -91.000