============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. PHE 12 1.000 -36.879 9.459 47.817 -99.200 -91.000 PHE 17 1.000 -39.371 8.888 53.825 -99.200 -91.000 TYR 20 0.840 -39.025 16.528 60.647 -99.200 -91.000 HIS 21 0.900 -48.789 13.220 62.699 -99.200 -91.000 TYR 27 0.840 -54.218 13.045 71.303 -99.200 -91.000 TYR 46 0.840 -65.730 13.783 52.744 -99.200 -91.000 TRP 50 1.040 -57.117 10.124 48.439 -99.200 -91.000 TRP6 50 1.020 -54.958 9.698 47.591 -99.200 -91.000 PHE 53 1.000 -48.494 9.174 61.288 -99.200 -91.000 TYR 54 0.840 -52.790 11.974 54.852 -99.200 -91.000 TYR 60 0.840 -38.809 25.125 60.431 -99.200 -91.000 TYR 65 0.840 -51.122 19.304 58.799 -99.200 -91.000 TYR 85 0.840 -42.320 3.779 57.197 -99.200 -91.000 PHE 123 1.000 -48.876 -0.088 45.768 -99.200 -91.000 PHE 127 1.000 -46.981 -0.431 41.462 -99.200 -91.000 PHE 140 1.000 -47.645 21.049 53.436 -99.200 -91.000 TYR 149 0.840 -42.581 12.319 52.481 -99.200 -91.000 TRP 153 1.040 -54.368 4.751 59.238 -99.200 -91.000 TRP6 153 1.020 -53.310 6.023 60.946 -99.200 -91.000 PHE 167 1.000 -44.399 23.788 68.535 -99.200 -91.000 TYR 179 0.840 -47.901 31.663 64.697 -99.200 -91.000 TYR 181 0.840 -40.069 23.997 65.290 -99.200 -91.000 TRP 193 1.040 -44.475 38.143 68.901 -99.200 -91.000 TRP6 193 1.020 -45.622 40.108 68.339 -99.200 -91.000 HIS 210 0.900 -48.834 62.899 78.421 -99.200 -91.000 TYR 233 0.840 -62.830 60.860 72.719 -99.200 -91.000 PHE 237 1.000 -57.139 58.406 73.911 -99.200 -91.000 HIS 238 0.900 -53.232 58.257 66.073 -99.200 -91.000 HIS 244 0.900 -46.660 59.406 77.360 -99.200 -91.000 PHE 260 1.000 -47.281 52.925 58.487 -99.200 -91.000 TYR 265 0.840 -52.756 53.365 64.991 -99.200 -91.000 TRP 268 1.040 -57.992 47.866 65.109 -99.200 -91.000 TRP6 268 1.020 -58.245 45.893 63.856 -99.200 -91.000 HIS 309 0.900 -43.333 49.966 55.736 -99.200 -91.000 HIS 310 0.900 -45.486 50.355 62.554 -99.200 -91.000 PHE 342 1.000 -61.792 42.873 73.968 -99.200 -91.000 TYR 345 0.840 -55.262 38.669 79.935 -99.200 -91.000 PHE 347 1.000 -56.921 45.481 70.618 -99.200 -91.000 PHE 355 1.000 -49.046 43.535 65.418 -99.200 -91.000 HIS 359 0.900 -44.796 40.522 62.561 -99.200 -91.000 TYR 362 0.840 -46.293 40.845 54.346 -99.200 -91.000 TYR 367 0.840 -49.427 30.590 44.888 -99.200 -91.000 HIS 371 0.900 -55.041 37.231 40.513 -99.200 -91.000 PHE 376 1.000 -65.814 40.202 40.859 -99.200 -91.000 HIS 378 0.900 -66.859 43.437 45.742 -99.200 -91.000 TYR 381 0.840 -60.638 40.677 50.086 -99.200 -91.000 TRP 385 1.040 -62.357 30.202 37.476 -99.200 -91.000 TRP6 385 1.020 -63.145 28.637 39.059 -99.200 -91.000 PHE 397 1.000 -66.022 14.674 39.523 -99.200 -91.000 HIS 403 0.900 -62.589 21.846 40.259 -99.200 -91.000 HIS 436 0.900 -54.950 22.541 50.437 -99.200 -91.000 PHE 457 1.000 -68.785 29.887 56.150 -99.200 -91.000 TYR 465 0.840 -55.351 38.896 58.644 -99.200 -91.000 HIS 471 0.900 -49.056 37.591 46.399 -99.200 -91.000 HIS 475 0.900 -56.707 21.365 45.674 -99.200 -91.000 PHE 478 1.000 -66.363 20.681 43.889 -99.200 -91.000 HIS 479 0.900 -66.049 10.990 47.615 -99.200 -91.000 HIS 487 0.900 -78.212 14.389 34.135 -99.200 -91.000 TYR 501 0.840 -63.207 44.670 53.666 -99.200 -91.000 HIS 507 0.900 -77.569 52.735 59.289 -99.200 -91.000 PHE 517 1.000 -70.547 33.828 38.704 -99.200 -91.000 PHE 518 1.000 -66.578 25.240 40.030 -99.200 -91.000