============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 3 0.900 -9.592 -8.328 -29.276 -99.200 -91.000 TYR 26 0.840 1.918 -11.015 -28.231 -99.200 -91.000 TYR 31 0.840 -10.671 6.046 -28.606 -99.200 -91.000 PHE 41 1.000 -4.758 -0.372 -38.049 -99.200 -91.000 TYR 54 0.840 -15.424 2.645 -34.132 -99.200 -91.000 PHE 59 1.000 -7.882 0.972 -26.004 -99.200 -91.000 HIS 89 0.900 -13.809 4.592 -18.350 -99.200 -91.000 TYR 103 0.840 11.874 17.507 -21.723 -99.200 -91.000 PHE 104 1.000 14.562 13.896 -18.950 -99.200 -91.000 HIS 120 0.900 2.400 -1.357 -12.181 -99.200 -91.000 PHE 121 1.000 3.237 6.848 -18.590 -99.200 -91.000 HIS 148 0.900 11.262 -4.451 -19.307 -99.200 -91.000 PHE 155 1.000 7.769 -2.964 -24.425 -99.200 -91.000 TYR 170 0.840 13.956 -1.535 -16.085 -99.200 -91.000 HIS 178 0.900 8.958 8.345 -23.703 -99.200 -91.000 TYR 179 0.840 18.532 11.933 -20.909 -99.200 -91.000 HIS 184 0.900 17.702 6.945 -32.374 -99.200 -91.000 TYR 189 0.840 17.953 16.192 -35.691 -99.200 -91.000 TYR 199 0.840 26.753 16.018 -51.130 -99.200 -91.000 PHE 200 1.000 29.034 22.037 -49.535 -99.200 -91.000 HIS 204 0.900 31.245 22.958 -53.459 -99.200 -91.000 HIS 214 0.900 26.726 3.846 -55.930 -99.200 -91.000 PHE 217 1.000 29.052 9.292 -48.919 -99.200 -91.000 TRP 220 1.040 34.177 6.166 -47.736 -99.200 -91.000 TRP6 220 1.020 33.493 8.375 -47.241 -99.200 -91.000 TYR 228 0.840 18.568 2.910 -42.833 -99.200 -91.000 PHE 237 1.000 25.530 11.481 -53.027 -99.200 -91.000 TRP 264 1.040 12.679 18.353 -27.113 -99.200 -91.000 TRP6 264 1.020 11.092 16.593 -27.034 -99.200 -91.000 PHE 284 1.000 22.958 26.407 -32.478 -99.200 -91.000 PHE 287 1.000 17.612 25.394 -35.303 -99.200 -91.000 PHE 310 1.000 43.338 18.341 -53.192 -99.200 -91.000 HIS 316 0.900 46.824 11.784 -47.989 -99.200 -91.000 PHE 317 1.000 40.150 16.243 -49.635 -99.200 -91.000 TYR 326 0.840 35.286 4.468 -37.466 -99.200 -91.000 TYR 333 0.840 27.471 7.183 -32.380 -99.200 -91.000 PHE 337 1.000 26.581 5.314 -25.911 -99.200 -91.000 TYR 347 0.840 17.268 13.483 -14.458 -99.200 -91.000 TRP 349 1.040 16.792 7.652 -14.939 -99.200 -91.000 TRP6 349 1.020 17.032 9.111 -16.773 -99.200 -91.000 TYR 353 0.840 26.090 4.374 -19.327 -99.200 -91.000 PHE 360 1.000 20.944 3.884 -29.034 -99.200 -91.000 PHE 370 1.000 30.849 4.170 -33.915 -99.200 -91.000 TYR 378 0.840 30.055 2.349 -22.374 -99.200 -91.000 TYR 392 0.840 37.662 0.221 -32.601 -99.200 -91.000 PHE 393 1.000 35.019 3.319 -29.782 -99.200 -91.000 TYR 400 0.840 41.041 6.127 -39.007 -99.200 -91.000 TYR 427 0.840 34.615 16.086 -26.930 -99.200 -91.000 TYR 428 0.840 42.138 13.672 -29.884 -99.200 -91.000 TYR 431 0.840 37.898 13.766 -22.499 -99.200 -91.000 TYR 447 0.840 39.953 43.628 -13.537 -99.200 -91.000 PHE 448 1.000 33.096 39.998 -15.810 -99.200 -91.000 HIS 451 0.900 30.683 36.301 -11.070 -99.200 -91.000 TYR 453 0.840 41.385 33.722 -7.815 -99.200 -91.000 PHE 462