============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 3 0.900 5.282 -2.683 16.082 -99.200 -91.000 TYR 13 0.840 -14.798 -16.031 24.124 -99.200 -91.000 PHE 16 1.000 -10.079 -8.584 24.469 -99.200 -91.000 TYR 20 0.840 -18.954 -10.527 17.559 -99.200 -91.000 TYR 33 0.840 -22.616 4.575 6.744 -99.200 -91.000 TYR 36 0.840 -32.951 2.414 5.315 -99.200 -91.000 TYR 39 0.840 -22.423 3.399 10.441 -99.200 -91.000 TRP 48 1.040 -8.248 -3.164 2.461 -99.200 -91.000 TRP6 48 1.020 -6.057 -3.788 1.822 -99.200 -91.000 HIS 49 0.900 -8.091 1.458 2.903 -99.200 -91.000 TRP 54 1.040 3.569 -5.512 8.368 -99.200 -91.000 TRP6 54 1.020 3.894 -7.590 7.288 -99.200 -91.000 HIS 57 0.900 10.192 -5.452 1.651 -99.200 -91.000 TYR 64 0.840 1.957 -3.728 18.737 -99.200 -91.000 TYR 68 0.840 -8.618 5.741 10.504 -99.200 -91.000 PHE 70 1.000 -1.282 9.180 16.940 -99.200 -91.000 PHE 74 1.000 -10.126 10.740 10.956 -99.200 -91.000 PHE 86 1.000 -11.723 7.512 15.169 -99.200 -91.000 PHE 88 1.000 -20.779 0.923 14.236 -99.200 -91.000 HIS 93 0.900 -11.004 3.224 21.941 -99.200 -91.000 PHE 96 1.000 -17.387 -2.442 25.998 -99.200 -91.000 TRP 98 1.040 -11.930 -2.560 28.754 -99.200 -91.000 TRP6 98 1.020 -11.578 -4.363 27.263 -99.200 -91.000 PHE 105 1.000 -8.963 2.202 14.990 -99.200 -91.000 TRP 123 1.040 -9.457 -9.506 16.954 -99.200 -91.000 TRP6 123 1.020 -9.435 -8.973 19.269 -99.200 -91.000 TYR 150 0.840 -0.713 -1.346 -8.164 -99.200 -91.000 PHE 154 1.000 -0.712 -2.785 -2.201 -99.200 -91.000 PHE 155 1.000 -3.299 -7.307 -1.829 -99.200 -91.000 HIS 172 0.900 -12.919 -4.652 -3.487 -99.200 -91.000 HIS 178 0.900 -19.529 4.864 -0.631 -99.200 -91.000 TYR 184 0.840 -12.268 3.809 -9.514 -99.200 -91.000 PHE 195 1.000 -17.291 -12.324 3.648 -99.200 -91.000 PHE 199 1.000 -14.520 -9.569 -6.409 -99.200 -91.000 TYR 200 0.840 -14.264 -14.705 -5.099 -99.200 -91.000 TRP 208 1.040 -18.282 -8.141 -15.392 -99.200 -91.000 TRP6 208 1.020 -19.224 -6.855 -13.657 -99.200 -91.000 TRP 220 1.040 -13.445 -3.530 -16.462 -99.200 -91.000 TRP6 220 1.020 -13.562 -4.275 -18.720 -99.200 -91.000 TYR 226 0.840 -25.197 -6.690 -9.659 -99.200 -91.000 TYR 233 0.840 -12.975 -7.304 -16.725 -99.200 -91.000 TYR 241 0.840 -4.116 -12.346 -9.225 -99.200 -91.000 TYR 248 0.840 -11.177 -18.624 -3.195 -99.200 -91.000 PHE 255 1.000 -15.039 -15.706 -0.266 -99.200 -91.000 PHE 256 1.000 -18.729 -17.805 4.014 -99.200 -91.000 PHE 259 1.000 -12.582 -12.383 4.001 -99.200 -91.000 PHE 263 1.000 -10.760 -9.174 7.567 -99.200 -91.000 PHE 273 1.000 -0.531 -12.246 18.017 -99.200 -91.000 PHE 281 1.000 -9.534 -14.052 23.240 -99.200 -91.000 PHE 283 1.000 -14.236 -12.243 20.076 -99.200 -91.000