============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. HIS 5 0.900 -14.245 45.187 18.195 -99.200 -91.000 PHE 12 1.000 -25.479 51.947 29.693 -99.200 -91.000 TYR 18 0.840 -17.016 59.715 11.110 -99.200 -91.000 PHE 52 1.000 -36.440 56.677 -15.958 -99.200 -91.000 HIS 54 0.900 -43.006 50.339 -10.570 -99.200 -91.000 HIS 57 0.900 -38.385 58.537 -20.781 -99.200 -91.000 TYR 59 0.840 -43.977 59.945 -11.030 -99.200 -91.000 HIS 60 0.900 -39.344 57.898 -13.063 -99.200 -91.000 PHE 94 1.000 -52.857 43.454 -11.787 -99.200 -91.000 TYR 108 0.840 -58.575 31.734 -16.914 -99.200 -91.000 PHE 115 1.000 -57.083 40.676 -22.570 -99.200 -91.000 PHE 124 1.000 -52.040 38.649 -13.578 -99.200 -91.000 TYR 125 0.840 -48.957 42.602 -21.608 -99.200 -91.000 TYR 128 0.840 -39.942 35.826 -22.038 -99.200 -91.000 TYR 140 0.840 -44.498 25.570 -8.121 -99.200 -91.000 TYR 142 0.840 -41.077 31.212 -8.220 -99.200 -91.000 HIS 155 0.900 -49.827 25.863 -22.231 -99.200 -91.000 HIS 169 0.900 -48.393 39.948 -2.027 -99.200 -91.000 PHE 199 1.000 -35.724 61.741 -19.049 -99.200 -91.000 PHE 209 1.000 -28.597 53.140 -7.995 -99.200 -91.000 PHE 212 1.000 -33.719 41.209 -13.421 -99.200 -91.000 HIS 242 0.900 -26.941 30.283 -11.457 -99.200 -91.000 TYR 304 0.840 -46.614 47.398 4.854 -99.200 -91.000 PHE 321 1.000 -22.136 45.253 13.157 -99.200 -91.000 TYR 338 0.840 -45.989 55.610 10.046 -99.200 -91.000 TYR 345 0.840 -36.734 53.347 14.399 -99.200 -91.000 TYR 360 0.840 -5.154 49.068 13.438 -99.200 -91.000 PHE 362 1.000 -14.285 46.840 6.397 -99.200 -91.000 PHE 363 1.000 -5.029 50.727 7.257 -99.200 -91.000 HIS 371 0.900 0.113 41.959 -7.838 -99.200 -91.000 TYR 389 0.840 -7.088 53.259 11.618 -99.200 -91.000 TYR 412 0.840 -6.106 50.979 1.143 -99.200 -91.000 PHE 441 1.000 -18.187 73.995 -6.836 -99.200 -91.000 PHE 442 1.000 -10.708 76.230 -4.896 -99.200 -91.000 HIS 449 0.900 -7.093 77.631 -13.857 -99.200 -91.000 HIS 455 0.900 -5.320 79.810 -2.947 -99.200 -91.000 PHE 463 1.000 -17.527 69.981 5.163 -99.200 -91.000 TYR 469 0.840 -16.638 65.970 10.787 -99.200 -91.000 TYR 475 0.840 -0.418 65.701 15.206 -99.200 -91.000 HIS 480 0.900 -1.776 68.467 -1.616 -99.200 -91.000 HIS 483 0.900 7.352 70.333 -6.030 -99.200 -91.000 TYR 488 0.840 0.534 59.818 -9.859 -99.200 -91.000