============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 3 0.840 -8.924 31.613 45.038 -99.200 -91.000 PHE 29 1.000 -17.703 16.672 52.979 -99.200 -91.000 HIS 31 0.900 -16.842 27.944 50.964 -99.200 -91.000 PHE 35 1.000 -17.059 32.686 41.894 -99.200 -91.000 PHE 41 1.000 -14.250 34.051 32.338 -99.200 -91.000 HIS 50 0.900 -0.294 32.925 31.897 -99.200 -91.000 HIS 56 0.900 -5.791 25.451 22.672 -99.200 -91.000 TRP 60 1.040 -8.873 16.717 24.802 -99.200 -91.000 TRP6 60 1.020 -8.599 16.077 27.062 -99.200 -91.000 PHE 61 1.000 -12.433 18.689 30.158 -99.200 -91.000 TYR 70 0.840 -7.624 20.585 20.503 -99.200 -91.000 HIS 72 0.900 1.020 15.464 23.851 -99.200 -91.000 TRP 79 1.040 -6.024 16.695 30.939 -99.200 -91.000 TRP6 79 1.020 -7.057 15.159 32.412 -99.200 -91.000 TRP 82 1.040 -2.754 13.233 35.641 -99.200 -91.000 TRP6 82 1.020 -2.774 12.018 37.669 -99.200 -91.000 TYR 93 0.840 -12.789 15.564 34.252 -99.200 -91.000 TRP 97 1.040 -18.281 16.495 30.536 -99.200 -91.000 TRP6 97 1.020 -17.621 18.719 30.059 -99.200 -91.000 TRP 100 1.040 -23.357 7.030 31.252 -99.200 -91.000 TRP6 100 1.020 -22.851 8.021 33.340 -99.200 -91.000 HIS 107 0.900 -20.910 4.045 23.227 -99.200 -91.000 TRP 132 1.040 -18.853 9.093 40.866 -99.200 -91.000 TRP6 132 1.020 -16.636 9.704 41.415 -99.200 -91.000 HIS 146 0.900 -13.804 19.047 35.835 -99.200 -91.000 PHE 148 1.000 -25.070 15.941 39.166 -99.200 -91.000 PHE 149 1.000 -21.297 20.026 33.574 -99.200 -91.000 PHE 151 1.000 -25.358 23.777 32.045 -99.200 -91.000 TYR 152 0.840 -32.915 28.118 38.414 -99.200 -91.000 TYR 163 0.840 -20.350 17.526 45.347 -99.200 -91.000 PHE 170 1.000 -1.410 29.424 45.649 -99.200 -91.000 PHE 175 1.000 -7.267 24.698 34.147 -99.200 -91.000 TYR 180 0.840 -17.276 22.915 35.052 -99.200 -91.000 HIS 185 0.900 -19.803 34.571 29.789 -99.200 -91.000 PHE 198 1.000 -19.061 27.794 38.325 -99.200 -91.000 TRP 200 1.040 -16.070 25.371 42.974 -99.200 -91.000 TRP6 200 1.020 -15.486 24.875 45.213 -99.200 -91.000 HIS 206 0.900 -7.655 19.208 48.997 -99.200 -91.000 TYR 208 0.840 -2.147 19.222 48.283 -99.200 -91.000 HIS 211 0.900 0.667 24.416 47.061 -99.200 -91.000 HIS 216 0.900 0.070 32.526 55.828 -99.200 -91.000 PHE 239 1.000 -21.293 19.052 20.410 -99.200 -91.000 TYR 241 0.840 -18.818 28.435 21.011 -99.200 -91.000 PHE 243 1.000 -6.500 29.782 22.282 -99.200 -91.000 PHE 246 1.000 -14.072 30.704 23.619 -99.200 -91.000 TYR 251 0.840 -6.413 38.433 34.298 -99.200 -91.000 HIS 254 0.900 -2.595 42.467 43.193 -99.200 -91.000