============================================================================= 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. TRP 10 1.040 4.373 -2.560 -10.476 -99.200 -91.000 TRP6 10 1.020 5.759 -0.839 -11.337 -99.200 -91.000 PHE 17 1.000 15.568 -0.831 -6.194 -99.200 -91.000 PHE 23 1.000 15.178 8.874 1.256 -99.200 -91.000 PHE 31 1.000 14.120 4.168 1.872 -99.200 -91.000 HIS 37 0.900 8.300 -8.986 5.283 -99.200 -91.000 TRP 38 1.040 6.020 -6.044 -0.114 -99.200 -91.000 TRP6 38 1.020 3.920 -6.884 -0.796 -99.200 -91.000 HIS 41 0.900 7.274 -13.600 3.880 -99.200 -91.000 PHE 46 1.000 10.065 -4.392 -4.697 -99.200 -91.000 TYR 55 0.840 12.163 5.323 -12.969 -99.200 -91.000 PHE 58 1.000 12.037 2.552 -2.153 -99.200 -91.000 TYR 60 0.840 14.121 14.598 2.873 -99.200 -91.000 TYR 66 0.840 -1.325 5.098 -10.129 -99.200 -91.000 PHE 85 1.000 10.342 -4.710 7.462 -99.200 -91.000 HIS 90 0.900 -0.051 1.008 4.373 -99.200 -91.000 HIS 94 0.900 -1.353 2.092 -0.421 -99.200 -91.000 PHE 98 1.000 -2.537 -6.484 -2.318 -99.200 -91.000 TRP 99 1.040 -7.144 0.462 -4.863 -99.200 -91.000 TRP6 99 1.020 -6.817 2.754 -5.389 -99.200 -91.000 HIS 100 0.900 -5.093 3.117 2.751 -99.200 -91.000 HIS 102 0.900 -10.113 2.169 5.134 -99.200 -91.000 HIS 110 0.900 -15.722 -9.182 6.227 -99.200 -91.000 TYR 124 0.840 -9.814 12.691 2.092 -99.200 -91.000 PHE 126 1.000 -12.180 6.775 7.971 -99.200 -91.000 TYR 141 0.840 -12.133 -6.118 6.048 -99.200 -91.000 PHE 143 1.000 -11.648 -8.218 10.739 -99.200 -91.000 HIS 148 0.900 -8.370 -2.948 8.866 -99.200 -91.000 TYR 149 0.840 -6.961 4.229 6.957 -99.200 -91.000 PHE 154 1.000 -6.903 10.141 8.037 -99.200 -91.000 PHE 159 1.000 -7.758 6.301 25.404 -99.200 -91.000 TYR 167 0.840 -16.529 -10.871 11.568 -99.200 -91.000 TYR 190 0.840 2.051 -8.605 -8.907 -99.200 -91.000