============================================================================= 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 4 1.000 109.895 -66.194 16.267 -99.200 -91.000 TYR 30 0.840 117.032 -50.947 35.406 -99.200 -91.000 HIS 31 0.900 117.479 -51.151 40.848 -99.200 -91.000 HIS 44 0.900 126.151 -69.820 13.633 -99.200 -91.000 PHE 47 1.000 119.023 -69.330 17.204 -99.200 -91.000 PHE 48 1.000 110.507 -66.208 23.655 -99.200 -91.000 PHE 60 1.000 121.270 -67.476 27.151 -99.200 -91.000 TRP 63 1.040 127.153 -66.336 24.184 -99.200 -91.000 TRP6 63 1.020 125.266 -64.906 24.097 -99.200 -91.000 PHE 74 1.000 116.681 -49.130 23.155 -99.200 -91.000 TRP 85 1.040 118.123 -56.133 41.473 -99.200 -91.000 TRP6 85 1.020 117.953 -56.134 43.838 -99.200 -91.000 PHE 95 1.000 125.202 -50.233 18.413 -99.200 -91.000 TYR 102 0.840 121.703 -39.077 25.961 -99.200 -91.000 TYR 122 0.840 114.879 -52.794 11.010 -99.200 -91.000 TYR 132 0.840 106.101 -55.520 26.086 -99.200 -91.000 HIS 149 0.900 108.200 -55.934 20.873 -99.200 -91.000 TRP 158 1.040 122.509 -59.503 12.793 -99.200 -91.000 TRP6 158 1.020 124.400 -60.205 14.032 -99.200 -91.000 PHE 164 1.000 121.068 -45.793 15.317 -99.200 -91.000 PHE 193 1.000 122.782 -56.370 42.459 -99.200 -91.000 TYR 222 0.840 94.887 -23.693 58.298 -99.200 -91.000 PHE 229 1.000 95.405 -20.726 53.436 -99.200 -91.000 PHE 242 1.000 99.209 -12.353 46.061 -99.200 -91.000 TYR 257 0.840 95.749 -13.081 42.291 -99.200 -91.000 TYR 270 0.840 104.190 -4.547 50.869 -99.200 -91.000 HIS 271 0.900 99.857 -10.503 57.501 -99.200 -91.000 HIS 279 0.900 109.219 -23.068 60.022 -99.200 -91.000 TYR 280 0.840 102.372 -26.159 55.411 -99.200 -91.000 TYR 290 0.840 114.331 -34.059 49.719 -99.200 -91.000 HIS 306 0.900 119.102 -51.515 45.674 -99.200 -91.000 PHE 309 1.000 122.996 -42.605 39.571 -99.200 -91.000 PHE 343 1.000 120.311 -40.744 51.716 -99.200 -91.000 TRP 350 1.040 132.969 -51.310 54.655 -99.200 -91.000 TRP6 350 1.020 132.721 -51.497 52.308 -99.200 -91.000 PHE 353 1.000 137.045 -39.597 49.624 -99.200 -91.000 TYR 357 0.840 135.503 -32.506 38.652 -99.200 -91.000 HIS 367 0.900 139.679 -25.784 27.579 -99.200 -91.000 PHE 378 1.000 137.978 -20.293 37.531 -99.200 -91.000 HIS 385 0.900 131.172 -17.445 43.125 -99.200 -91.000 PHE 393 1.000 128.398 -5.300 44.846 -99.200 -91.000 PHE 413 1.000 127.243 -19.969 40.624 -99.200 -91.000 TYR 417 0.840 125.591 -21.123 32.032 -99.200 -91.000 TYR 422 0.840 111.770 -8.923 35.064 -99.200 -91.000 PHE 438 1.000 125.497 -5.527 40.752 -99.200 -91.000 TYR 442 0.840 130.750 -11.702 33.853 -99.200 -91.000 PHE 443 1.000 128.560 -9.617 29.116 -99.200 -91.000 PHE 446 1.000 135.584 -11.904 34.750 -99.200 -91.000 TYR 452 0.840 130.778 -19.623 25.217 -99.200 -91.000 TYR 465 0.840 126.567 -29.549 14.767 -99.200 -91.000 HIS 471 0.900 134.922 -34.562 19.032 -99.200 -91.000 TYR 475 0.840 121.943 -32.321 15.602 -99.200 -91.000 PHE 484 1.000 113.612 -10.999 22.519 -99.200 -91.000 PHE 489 1.000 112.637 -19.249 26.916 -99.200 -91.000 HIS 526 0.900 130.852 -50.222 46.906 -99.200 -91.000 HIS 532 0.900 123.346 -33.356 38.383 -99.200 -91.000 TYR 569 0.840 140.656 -34.317 49.595 -99.200 -91.000 HIS 570 0.900 134.841 -31.851 52.610 -99.200 -91.000 TYR 571 0.840 138.145 -39.272 55.909 -99.200 -91.000 TRP 575 1.040 126.015 -37.495 51.014 -99.200 -91.000 TRP6 575 1.020 124.084 -37.722 49.672 -99.200 -91.000 TYR 576 0.840 125.036 -33.222 59.295 -99.200 -91.000