============================================================================= 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. PHE 10 1.000 24.269 -6.061 -4.535 -99.200 -91.000 TRP 21 1.040 44.291 0.512 -10.889 -99.200 -91.000 TRP6 21 1.020 46.066 -0.260 -9.516 -99.200 -91.000 TRP 28 1.040 48.696 4.139 -3.699 -99.200 -91.000 TRP6 28 1.020 47.984 2.481 -5.224 -99.200 -91.000 PHE 35 1.000 38.250 6.207 4.052 -99.200 -91.000 HIS 36 0.900 32.983 12.801 5.148 -99.200 -91.000 PHE 50 1.000 19.402 4.544 11.954 -99.200 -91.000 HIS 54 0.900 14.905 -7.247 5.036 -99.200 -91.000 TRP 57 1.040 14.582 6.143 9.899 -99.200 -91.000 TRP6 57 1.020 13.982 6.172 12.194 -99.200 -91.000 PHE 68 1.000 19.689 -3.641 16.873 -99.200 -91.000 PHE 72 1.000 23.337 -0.746 19.692 -99.200 -91.000 HIS 81 0.900 32.997 -0.845 12.088 -99.200 -91.000 PHE 95 1.000 38.405 14.283 12.306 -99.200 -91.000 HIS 105 0.900 33.961 4.078 12.740 -99.200 -91.000 PHE 110 1.000 39.914 6.255 13.279 -99.200 -91.000 HIS 119 0.900 24.019 11.814 13.186 -99.200 -91.000 PHE 123 1.000 29.237 0.281 23.631 -99.200 -91.000 TYR 134 0.840 33.675 10.064 33.262 -99.200 -91.000 TRP 166 1.040 13.570 11.891 16.105 -99.200 -91.000 TRP6 166 1.020 13.649 11.452 13.785 -99.200 -91.000 HIS 224 0.900 24.562 15.534 -0.847 -99.200 -91.000 HIS 227 0.900 26.459 17.721 -6.078 -99.200 -91.000 HIS 233 0.900 26.241 2.275 -7.417 -99.200 -91.000 TYR 235 0.840 26.792 -7.217 0.015 -99.200 -91.000 HIS 246 0.900 43.490 -3.377 -6.229 -99.200 -91.000 TRP 254 1.040 38.037 -5.290 18.032 -99.200 -91.000 TRP6 254 1.020 36.281 -6.450 19.097 -99.200 -91.000