============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 3 0.900 16.108 -10.074 26.594 -99.200 -91.000 TYR 7 0.840 17.304 1.333 37.364 -99.200 -91.000 PHE 8 1.000 9.586 -2.055 38.955 -99.200 -91.000 PHE 9 1.000 13.768 4.870 41.296 -99.200 -91.000 PHE 22 1.000 14.369 6.141 47.329 -99.200 -91.000 TYR 27 0.840 12.680 -6.762 39.721 -99.200 -91.000 PHE 33 1.000 19.938 -3.996 37.389 -99.200 -91.000 PHE 36 1.000 19.773 4.010 49.195 -99.200 -91.000 TRP 51 1.040 23.353 -10.843 36.168 -99.200 -91.000 TRP6 51 1.020 22.560 -8.653 35.761 -99.200 -91.000 TYR 59 0.840 26.560 0.060 38.064 -99.200 -91.000 TRP 60 1.040 28.919 -1.348 42.508 -99.200 -91.000 TRP6 60 1.020 26.692 -2.136 42.466 -99.200 -91.000 HIS 70 0.900 16.271 8.587 40.834 -99.200 -91.000 HIS 74 0.900 10.192 9.238 44.668 -99.200 -91.000 TYR 84 0.840 0.944 20.155 43.378 -99.200 -91.000 TYR 85 0.840 -3.967 14.984 45.090 -99.200 -91.000 HIS 93 0.900 -1.294 10.957 52.456 -99.200 -91.000 TYR 99 0.840 13.684 5.842 36.028 -99.200 -91.000 TRP 107 1.040 20.038 -7.966 21.377 -99.200 -91.000 TRP6 107 1.020 21.501 -8.240 23.224 -99.200 -91.000 PHE 109 1.000 13.019 3.480 22.873 -99.200 -91.000 TYR 113 0.840 8.776 0.664 30.478 -99.200 -91.000 HIS 114 0.900 10.121 9.111 34.588 -99.200 -91.000 TYR 116 0.840 5.346 10.799 41.330 -99.200 -91.000 TYR 118 0.840 -0.162 11.648 47.091 -99.200 -91.000 TYR 123 0.840 0.528 13.640 40.506 -99.200 -91.000 TRP 133 1.040 4.522 15.251 30.454 -99.200 -91.000 TRP6 133 1.020 5.924 13.790 31.609 -99.200 -91.000 HIS 145 0.900 -1.025 23.293 33.841 -99.200 -91.000 TRP 147 1.040 7.446 17.557 36.139 -99.200 -91.000 TRP6 147 1.020 7.038 15.260 36.401 -99.200 -91.000 HIS 151 0.900 11.149 23.131 27.039 -99.200 -91.000 TYR 159 0.840 17.484 6.606 31.947 -99.200 -91.000 TRP 167 1.040 24.554 2.284 31.391 -99.200 -91.000 TRP6 167 1.020 26.334 1.427 32.652 -99.200 -91.000 TYR 171 0.840 22.969 -3.200 33.680 -99.200 -91.000 HIS 188 0.900 2.351 -31.459 38.961 -99.200 -91.000 HIS 191 0.900 -9.464 -36.495 41.020 -99.200 -91.000 HIS 192 0.900 -5.158 -34.390 46.173 -99.200 -91.000 HIS 197 0.900 -21.139 -33.649 46.475 -99.200 -91.000 TRP 204 1.040 0.113 -27.998 40.916 -99.200 -91.000 TRP6 204 1.020 1.057 -26.491 42.463 -99.200 -91.000 PHE 208 1.000 6.245 -20.315 35.135 -99.200 -91.000 TYR 209 0.840 13.925 -15.549 33.750 -99.200 -91.000 TRP 217 1.040 -8.116 -25.975 34.909 -99.200 -91.000 TRP6 217 1.020 -7.767 -28.301 34.717 -99.200 -91.000 PHE 241 1.000 9.438 -15.526 38.151 -99.200 -91.000 TRP 244 1.040 -1.869 -23.129 42.738 -99.200 -91.000 TRP6 244 1.020 -4.148 -22.751 43.147 -99.200 -91.000 TYR 257 0.840 -14.069 -29.815 33.888 -99.200 -91.000 HIS 260 0.900 -6.228 -26.641 26.375 -99.200 -91.000 HIS 263 0.900 7.566 -20.029 29.748 -99.200 -91.000 TRP 274 1.040 -7.839 -34.527 34.674 -99.200 -91.000 TRP6 274 1.020 -6.254 -35.053 36.359 -99.200 -91.000