============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. PHE 27 1.000 -29.876 35.700 -15.522 -99.200 -91.000 PHE 29 1.000 -24.843 40.035 -15.271 -99.200 -91.000 TYR 32 0.840 -33.633 39.409 -15.558 -99.200 -91.000 TYR 33 0.840 -32.732 47.462 -11.997 -99.200 -91.000 TYR 35 0.840 -31.204 43.535 -5.618 -99.200 -91.000 TRP 36 1.040 -22.411 40.732 -5.017 -99.200 -91.000 TRP6 36 1.020 -21.690 38.497 -4.869 -99.200 -91.000 TRP 47 1.040 -29.761 44.668 -0.643 -99.200 -91.000 TRP6 47 1.020 -29.062 46.885 -0.988 -99.200 -91.000 TYR 50 0.840 -30.053 48.822 -7.858 -99.200 -91.000 TYR 59 0.840 -29.182 53.333 -1.580 -99.200 -91.000 TYR 60 0.840 -21.986 50.155 -3.035 -99.200 -91.000 PHE 68 1.000 -18.082 44.973 1.478 -99.200 -91.000 TYR 80 0.840 -16.205 40.505 -11.942 -99.200 -91.000 TYR 94 0.840 -19.942 38.732 1.968 -99.200 -91.000 TYR 95 0.840 -26.254 32.535 0.051 -99.200 -91.000 HIS 99 0.900 -35.493 43.461 -9.115 -99.200 -91.000 TYR 102 0.840 -43.360 41.136 -10.072 -99.200 -91.000 TYR 106 0.840 -34.648 31.504 -10.366 -99.200 -91.000 TRP 107 1.040 -32.229 34.189 -3.052 -99.200 -91.000 TRP6 107 1.020 -31.696 35.432 -1.116 -99.200 -91.000 TYR 126 0.840 -7.394 12.109 14.349 -99.200 -91.000 TYR 149 0.840 -12.654 22.292 9.749 -99.200 -91.000 PHE 150 1.000 -9.952 30.034 11.131 -99.200 -91.000 TRP 158 1.040 -20.067 9.148 5.754 -99.200 -91.000 TRP6 158 1.020 -18.721 8.092 7.379 -99.200 -91.000 HIS 168 0.900 -27.873 11.032 11.439 -99.200 -91.000 PHE 170 1.000 -23.292 14.728 14.642 -99.200 -91.000 TYR 179 0.840 -14.424 26.765 12.431 -99.200 -91.000 TRP 192 1.040 -17.631 -1.706 8.942 -99.200 -91.000 TRP6 192 1.020 -16.411 -1.995 10.945 -99.200 -91.000 HIS 203 0.900 -9.731 23.372 5.287 -99.200 -91.000 PHE 241 1.000 19.990 -4.814 -13.881 -99.200 -91.000 PHE 243 1.000 25.755 -7.518 -16.869 -99.200 -91.000 TRP 277 1.040 34.031 -1.131 -8.579 -99.200 -91.000 TRP6 277 1.020 32.984 -3.041 -9.505 -99.200 -91.000 PHE 278 1.000 34.728 -1.112 -0.714 -99.200 -91.000 HIS 285 0.900 38.702 5.434 -1.768 -99.200 -91.000 HIS 292 0.900 33.438 4.601 -20.323 -99.200 -91.000 TYR 296 0.840 19.369 3.213 -25.881 -99.200 -91.000 HIS 310 0.900 44.498 -12.183 -16.232 -99.200 -91.000 TRP 313 1.040 36.114 -14.942 -12.141 -99.200 -91.000 TRP6 313 1.020 34.210 -13.677 -11.543 -99.200 -91.000 PHE 319 1.000 36.601 -10.022 -7.859 -99.200 -91.000 TYR 349 0.840 35.952 -36.379 -29.781 -99.200 -91.000 PHE 372 1.000 31.896 -28.072 -22.492 -99.200 -91.000 TYR 378 0.840 36.679 -17.585 -27.459 -99.200 -91.000 TRP 381 1.040 35.486 -23.526 -36.292 -99.200 -91.000 TRP6 381 1.020 36.316 -25.596 -37.091 -99.200 -91.000 TYR 391 0.840 34.236 -18.378 -35.221 -99.200 -91.000 TYR 404 0.840 26.809 -27.840 -18.827 -99.200 -91.000 PHE 405 1.000 25.451 -31.787 -26.579 -99.200 -91.000 TYR 407 0.840 27.741 -31.115 -32.185 -99.200 -91.000 TRP 417 1.040 37.526 -30.391 -47.182 -99.200 -91.000 TRP6 417 1.020 38.339 -30.458 -44.970 -99.200 -91.000 TYR 423 0.840 39.821 -23.501 -43.517 -99.200 -91.000 HIS 429 0.900 36.247 -26.195 -19.604 -99.200 -91.000 HIS 433 0.900 49.585 -28.282 -20.988 -99.200 -91.000 HIS 435 0.900 43.510 -21.718 -17.588 -99.200 -91.000 HIS 436 0.900 44.283 -22.217 -27.364 -99.200 -91.000 PHE 441 1.000 39.121 -30.948 -40.236 -99.200 -91.000