============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 3 1.000 19.187 -1.938 -5.620 -99.200 -91.000 TYR 11 0.840 34.533 -1.506 -7.684 -99.200 -91.000 TYR 12 0.840 32.686 1.221 -1.148 -99.200 -91.000 PHE 23 1.000 15.173 -10.865 9.405 -99.200 -91.000 TYR 38 0.840 31.340 6.957 1.246 -99.200 -91.000 PHE 42 1.000 27.984 -5.618 4.191 -99.200 -91.000 HIS 72 0.900 17.792 19.163 6.172 -99.200 -91.000 HIS 79 0.900 29.588 7.022 -2.469 -99.200 -91.000 TYR 82 0.840 28.958 -1.690 -4.825 -99.200 -91.000 PHE 101 1.000 19.506 3.590 24.235 -99.200 -91.000 PHE 103 1.000 25.679 13.601 24.054 -99.200 -91.000 PHE 118 1.000 21.732 16.363 21.335 -99.200 -91.000 TYR 127 0.840 9.752 22.876 7.046 -99.200 -91.000 TYR 128 0.840 15.093 17.279 2.616 -99.200 -91.000 HIS 130 0.900 6.704 14.911 8.854 -99.200 -91.000 HIS 136 0.900 12.749 7.626 10.559 -99.200 -91.000 PHE 137 1.000 4.722 5.954 8.752 -99.200 -91.000 PHE 161 1.000 15.542 8.211 6.308 -99.200 -91.000 HIS 165 0.900 5.953 2.561 4.158 -99.200 -91.000 PHE 169 1.000 -2.554 8.000 -3.585 -99.200 -91.000 PHE 173 1.000 -6.004 0.139 6.790 -99.200 -91.000 PHE 177 1.000 2.740 -1.798 16.313 -99.200 -91.000 PHE 182 1.000 11.225 5.948 21.486 -99.200 -91.000 TYR 190 0.840 -2.081 -3.654 14.428 -99.200 -91.000 TRP 200 1.040 2.894 9.233 20.123 -99.200 -91.000 TRP6 200 1.020 0.949 9.594 21.428 -99.200 -91.000 TYR 207 0.840 7.771 12.242 29.748 -99.200 -91.000 PHE 216 1.000 2.703 7.707 26.011 -99.200 -91.000 TYR 233 0.840 1.741 12.589 28.408 -99.200 -91.000 PHE 235 1.000 4.454 16.865 30.800 -99.200 -91.000 TYR 239 0.840 11.870 10.821 36.647 -99.200 -91.000 PHE 240 1.000 9.068 15.863 32.532 -99.200 -91.000 PHE 250 1.000 7.851 20.962 20.972 -99.200 -91.000 HIS 271 0.900 5.219 25.289 21.739 -99.200 -91.000 TRP 273 1.040 10.730 24.784 25.143 -99.200 -91.000 TRP6 273 1.020 11.290 22.583 24.538 -99.200 -91.000 PHE 279 1.000 2.234 -9.009 17.456 -99.200 -91.000