============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 27 0.900 -7.306 7.064 -0.389 -99.200 -91.000 TYR 31 0.840 -6.736 7.997 -9.834 -99.200 -91.000 TRP 32 1.040 -12.960 0.657 -9.844 -99.200 -91.000 TRP6 32 1.020 -12.672 -1.710 -9.605 -99.200 -91.000 TYR 33 0.840 -5.320 2.071 -12.688 -99.200 -91.000 HIS 39 0.900 -3.498 -4.210 -20.776 -99.200 -91.000 HIS 45 0.900 -15.968 0.878 -14.753 -99.200 -91.000 TYR 46 0.840 -9.312 8.034 -13.948 -99.200 -91.000 TYR 48 0.840 -13.285 13.187 -11.126 -99.200 -91.000 TYR 62 0.840 -16.182 -5.633 -17.709 -99.200 -91.000 PHE 72 1.000 -17.847 2.189 -9.017 -99.200 -91.000 TYR 87 0.840 -13.532 -7.414 -12.597 -99.200 -91.000 PHE 88 1.000 -6.212 -6.324 -7.494 -99.200 -91.000 PHE 100 1.000 -3.780 4.418 1.616 -99.200 -91.000 PHE 101 1.000 -4.185 -0.804 -6.445 -99.200 -91.000 TYR 114 0.840 -5.653 -26.842 -15.117 -99.200 -91.000 TRP 150 1.040 21.564 -17.808 -13.294 -99.200 -91.000 TRP6 150 1.020 20.952 -20.125 -13.376 -99.200 -91.000 TYR 161 0.840 10.394 10.411 -22.052 -99.200 -91.000 PHE 166 1.000 8.269 14.116 -19.582 -99.200 -91.000 TYR 168 0.840 4.359 12.316 -10.335 -99.200 -91.000 PHE 169 1.000 7.813 9.788 -16.411 -99.200 -91.000 TRP 171 1.040 10.225 3.862 -12.235 -99.200 -91.000 TRP6 171 1.020 10.725 1.681 -13.091 -99.200 -91.000 TYR 172 0.840 1.802 2.280 -8.962 -99.200 -91.000 PHE 175 1.000 5.587 -4.240 -4.073 -99.200 -91.000 PHE 198 1.000 14.428 2.454 -6.077 -99.200 -91.000 PHE 201 1.000 22.647 5.861 -13.323 -99.200 -91.000 PHE 202 1.000 17.272 12.729 -19.522 -99.200 -91.000 HIS 212 0.900 21.893 0.410 -13.252 -99.200 -91.000 TYR 224 0.840 9.832 -3.823 -8.982 -99.200 -91.000 PHE 225 1.000 3.122 -2.915 -15.134 -99.200 -91.000 PHE 232 1.000 -7.528 16.925 -15.420 -99.200 -91.000 PHE 237 1.000 -1.843 1.156 -18.410 -99.200 -91.000 TYR 248 0.840 19.729 -26.156 -9.299 -99.200 -91.000