============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. HIS 2 0.900 -22.138 51.582 22.780 -99.200 -91.000 PHE 47 1.000 0.947 42.679 24.334 -99.200 -91.000 TYR 53 0.840 12.513 39.574 20.588 -99.200 -91.000 TYR 59 0.840 3.725 38.698 22.545 -99.200 -91.000 PHE 60 1.000 -6.281 36.576 27.088 -99.200 -91.000 PHE 61 1.000 -2.953 40.739 20.770 -99.200 -91.000 PHE 83 1.000 11.146 29.425 25.648 -99.200 -91.000 PHE 87 1.000 0.728 22.555 20.803 -99.200 -91.000 TYR 88 0.840 3.515 15.717 25.332 -99.200 -91.000 PHE 90 1.000 -2.872 10.527 19.740 -99.200 -91.000 PHE 95 1.000 2.867 0.424 9.368 -99.200 -91.000 HIS 97 0.900 3.011 -6.313 7.136 -99.200 -91.000 HIS 105 0.900 5.129 -4.513 -1.539 -99.200 -91.000 HIS 109 0.900 -3.317 7.506 6.629 -99.200 -91.000 HIS 115 0.900 8.395 16.119 22.006 -99.200 -91.000 PHE 126 1.000 -12.016 33.773 17.059 -99.200 -91.000 TYR 127 0.840 -16.664 33.635 23.484 -99.200 -91.000 TYR 137 0.840 -17.133 45.115 14.651 -99.200 -91.000 PHE 148 1.000 2.003 42.101 18.972 -99.200 -91.000 HIS 151 0.900 5.522 44.602 17.344 -99.200 -91.000 PHE 155 1.000 4.785 36.936 17.644 -99.200 -91.000 TYR 166 0.840 -19.225 16.376 16.287 -99.200 -91.000 PHE 175 1.000 -8.839 10.993 18.301 -99.200 -91.000 TRP 176 1.040 -12.499 11.538 26.402 -99.200 -91.000 TRP6 176 1.020 -10.273 11.682 27.173 -99.200 -91.000 PHE 183 1.000 -4.595 4.022 26.353 -99.200 -91.000 PHE 184 1.000 -7.562 10.225 34.379 -99.200 -91.000 TYR 188 0.840 -14.237 16.878 24.514 -99.200 -91.000 HIS 199 0.900 6.088 3.836 23.955 -99.200 -91.000 TYR 200 0.840 5.668 0.148 21.450 -99.200 -91.000 TYR 203 0.840 -1.657 -1.442 13.885 -99.200 -91.000 HIS 218 0.900 -18.467 22.535 19.369 -99.200 -91.000 PHE 225 1.000 -10.902 24.290 8.701 -99.200 -91.000 PHE 232 1.000 -2.749 30.095 9.557 -99.200 -91.000 TYR 237 0.840 2.324 17.045 13.108 -99.200 -91.000 PHE 241 1.000 -6.803 16.089 26.598 -99.200 -91.000 HIS 248 0.900 0.525 23.264 7.301 -99.200 -91.000 TYR 275 0.840 -8.740 48.876 3.387 -99.200 -91.000 PHE 285 1.000 -2.356 45.252 18.513 -99.200 -91.000 TRP 294 1.040 -5.034 53.950 2.117 -99.200 -91.000 TRP6 294 1.020 -3.957 51.859 1.860 -99.200 -91.000