============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 7 1.000 84.571 -5.467 33.668 -99.200 -91.000 HIS 8 0.900 88.778 -11.362 32.748 -99.200 -91.000 TYR 23 0.840 67.856 -14.009 26.335 -99.200 -91.000 TRP 37 1.040 77.925 -13.705 28.150 -99.200 -91.000 TRP6 37 1.020 78.111 -15.204 29.982 -99.200 -91.000 PHE 44 1.000 74.585 -8.719 26.023 -99.200 -91.000 TYR 45 0.840 70.521 -14.292 21.325 -99.200 -91.000 PHE 47 1.000 66.220 -8.852 23.356 -99.200 -91.000 HIS 49 0.900 62.386 -0.293 26.737 -99.200 -91.000 HIS 52 0.900 60.144 -4.515 24.275 -99.200 -91.000 TYR 55 0.840 57.830 -8.009 29.070 -99.200 -91.000 TYR 62 0.840 56.578 -22.006 30.494 -99.200 -91.000 PHE 78 1.000 66.469 -1.573 39.165 -99.200 -91.000 HIS 87 0.900 55.656 -11.503 32.176 -99.200 -91.000 PHE 93 1.000 56.752 -17.622 32.966 -99.200 -91.000 TYR 114 0.840 75.498 7.853 33.948 -99.200 -91.000 HIS 126 0.900 58.323 -4.024 41.187 -99.200 -91.000 PHE 131 1.000 70.092 -12.410 47.309 -99.200 -91.000 TYR 159 0.840 68.677 -5.386 41.093 -99.200 -91.000 PHE 167 1.000 80.801 -4.772 36.676 -99.200 -91.000 PHE 181 1.000 79.633 -22.015 45.669 -99.200 -91.000 TYR 220 0.840 59.453 -24.078 35.804 -99.200 -91.000 PHE 238 1.000 43.325 -33.201 28.806 -99.200 -91.000 HIS 252 0.900 44.013 -37.545 25.808 -99.200 -91.000 PHE 262 1.000 27.252 -29.667 31.030 -99.200 -91.000 TRP 279 1.040 43.444 -13.075 36.541 -99.200 -91.000 TRP6 279 1.020 42.902 -12.665 34.272 -99.200 -91.000 HIS 283 0.900 39.666 -14.399 42.197 -99.200 -91.000 TRP 289 1.040 34.499 -22.186 39.422 -99.200 -91.000 TRP6 289 1.020 35.881 -24.096 39.228 -99.200 -91.000 TYR 296 0.840 37.967 -26.030 44.053 -99.200 -91.000 TRP 341 1.040 32.324 -36.190 34.487 -99.200 -91.000 TRP6 341 1.020 31.059 -34.187 34.501 -99.200 -91.000 TYR 371 0.840 39.885 -11.300 15.482 -99.200 -91.000 PHE 381 1.000 52.917 -24.116 9.157 -99.200 -91.000 TRP 419 1.040 50.474 -8.830 36.855 -99.200 -91.000 TRP6 419 1.020 52.557 -7.764 37.213 -99.200 -91.000 TYR 428 0.840 56.862 -14.170 26.535 -99.200 -91.000 PHE 449 1.000 54.602 -5.393 15.558 -99.200 -91.000 PHE 451 1.000 51.169 -2.052 24.658 -99.200 -91.000 TYR 462 0.840 71.328 -10.693 17.927 -99.200 -91.000 TYR 477 0.840 39.252 -3.870 23.704 -99.200 -91.000 TYR 499 0.840 51.620 -2.785 12.003 -99.200 -91.000 PHE 506 1.000 64.012 -1.764 11.307 -99.200 -91.000 TYR 511 0.840 55.815 -13.715 2.946 -99.200 -91.000