============================================================================= 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 7 0.840 67.837 -36.783 -12.505 -99.200 -91.000 HIS 8 0.900 59.425 -37.549 -8.476 -99.200 -91.000 HIS 28 0.900 60.302 -38.822 -2.758 -99.200 -91.000 HIS 37 0.900 57.893 -31.724 25.435 -99.200 -91.000 TRP 60 1.040 54.580 -41.283 50.071 -99.200 -91.000 TRP6 60 1.020 55.749 -42.702 48.582 -99.200 -91.000 TRP 75 1.040 54.389 -45.503 42.962 -99.200 -91.000 TRP6 75 1.020 53.794 -46.111 45.152 -99.200 -91.000 TYR 77 0.840 55.600 -40.990 35.915 -99.200 -91.000 TYR 90 0.840 63.508 -33.154 66.499 -99.200 -91.000 PHE 94 1.000 64.933 -41.358 55.513 -99.200 -91.000 TYR 97 0.840 66.157 -39.239 51.243 -99.200 -91.000 PHE 110 1.000 53.518 -47.530 49.953 -99.200 -91.000 PHE 113 1.000 52.570 -53.801 58.363 -99.200 -91.000 PHE 116 1.000 56.297 -52.571 66.522 -99.200 -91.000 TRP 122 1.040 54.264 -48.607 71.751 -99.200 -91.000 TRP6 122 1.020 56.320 -49.802 71.599 -99.200 -91.000 HIS 125 0.900 58.341 -47.772 77.575 -99.200 -91.000 TYR 137 0.840 47.306 -31.088 60.506 -99.200 -91.000 PHE 143 1.000 57.614 -37.361 65.936 -99.200 -91.000 TYR 144 0.840 58.793 -36.969 61.192 -99.200 -91.000 TRP 149 1.040 59.990 -38.577 70.961 -99.200 -91.000 TRP6 149 1.020 60.457 -36.352 70.404 -99.200 -91.000 TYR 157 0.840 61.959 -45.065 77.558 -99.200 -91.000 TYR 164 0.840 55.761 -57.086 61.559 -99.200 -91.000 TRP 176 1.040 64.949 -47.482 63.766 -99.200 -91.000 TRP6 176 1.020 65.484 -49.022 62.070 -99.200 -91.000 HIS 179 0.900 65.235 -36.647 70.696 -99.200 -91.000 HIS 180 0.900 71.563 -39.162 68.315 -99.200 -91.000 TYR 191 0.840 64.205 -40.272 75.198 -99.200 -91.000 TYR 197 0.840 70.477 -50.378 75.531 -99.200 -91.000 TYR 205 0.840 69.604 -51.981 60.565 -99.200 -91.000 PHE 209 1.000 71.012 -47.063 65.406 -99.200 -91.000 TYR 228 0.840 64.000 -38.321 60.828 -99.200 -91.000 TYR 229 0.840 69.273 -44.663 62.170 -99.200 -91.000 TRP 230 1.040 66.618 -46.873 54.627 -99.200 -91.000 TRP6 230 1.020 66.754 -48.623 53.072 -99.200 -91.000 PHE 241 1.000 62.335 -51.631 65.953 -99.200 -91.000 TRP 251 1.040 50.985 -45.644 65.000 -99.200 -91.000 TRP6 251 1.020 50.121 -43.482 65.384 -99.200 -91.000 TYR 252 0.840 49.677 -46.227 60.841 -99.200 -91.000 PHE 254 1.000 54.894 -46.890 54.356 -99.200 -91.000 HIS 272 0.900 46.987 -31.656 31.575 -99.200 -91.000 HIS 282 0.900 62.273 -30.597 29.685 -99.200 -91.000 PHE 291 1.000 69.292 -42.287 16.925 -99.200 -91.000 HIS 295 0.900 65.284 -34.760 30.855 -99.200 -91.000 TYR 305 0.840 69.234 -36.437 25.459 -99.200 -91.000