============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 30 0.840 18.892 25.602 40.770 -99.200 -91.000 HIS 40 0.900 15.859 41.945 42.700 -99.200 -91.000 TYR 57 0.840 2.555 33.347 25.736 -99.200 -91.000 HIS 66 0.900 12.080 33.900 28.165 -99.200 -91.000 TRP 67 1.040 13.405 30.489 31.308 -99.200 -91.000 TRP6 67 1.020 12.400 31.289 33.289 -99.200 -91.000 TYR 69 0.840 17.025 40.437 27.973 -99.200 -91.000 PHE 70 1.000 13.677 36.135 35.255 -99.200 -91.000 TYR 73 0.840 15.283 44.068 32.467 -99.200 -91.000 PHE 74 1.000 13.347 41.581 36.189 -99.200 -91.000 PHE 86 1.000 7.607 39.899 34.329 -99.200 -91.000 TYR 89 0.840 11.913 40.545 31.454 -99.200 -91.000 PHE 95 1.000 16.048 35.991 24.097 -99.200 -91.000 TYR 113 0.840 -0.721 33.453 43.474 -99.200 -91.000 HIS 129 0.900 -9.891 28.387 40.685 -99.200 -91.000 PHE 142 1.000 8.866 26.537 32.292 -99.200 -91.000 TYR 149 0.840 14.641 24.424 37.897 -99.200 -91.000 TYR 151 0.840 11.080 25.509 49.532 -99.200 -91.000 PHE 163 1.000 6.168 9.770 41.729 -99.200 -91.000 TYR 171 0.840 7.314 21.780 17.325 -99.200 -91.000 TRP 178 1.040 6.909 11.615 15.504 -99.200 -91.000 TRP6 178 1.020 8.764 11.930 14.061 -99.200 -91.000 PHE 185 1.000 -0.489 11.174 19.234 -99.200 -91.000 TYR 194 0.840 -3.371 19.594 27.425 -99.200 -91.000 TRP 201 1.040 6.658 11.765 28.377 -99.200 -91.000 TRP6 201 1.020 8.747 10.663 28.350 -99.200 -91.000 HIS 214 0.900 12.019 16.672 40.252 -99.200 -91.000 TRP 220 1.040 12.340 21.478 27.665 -99.200 -91.000 TRP6 220 1.020 12.735 23.704 26.917 -99.200 -91.000 TYR 228 0.840 17.779 23.361 19.603 -99.200 -91.000 HIS 233 0.900 30.237 14.957 27.492 -99.200 -91.000 PHE 243 1.000 14.473 11.269 25.070 -99.200 -91.000 TRP 245 1.040 13.323 3.283 17.760 -99.200 -91.000 TRP6 245 1.020 11.148 3.404 16.826 -99.200 -91.000