============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 27 0.840 61.287 17.975 5.375 -99.200 -91.000 PHE 29 1.000 65.654 26.489 0.578 -99.200 -91.000 TYR 31 0.840 62.549 17.320 -6.117 -99.200 -91.000 TRP 42 1.040 72.289 13.369 -3.054 -99.200 -91.000 TRP6 42 1.020 70.837 14.767 -1.810 -99.200 -91.000 TYR 44 0.840 81.645 16.051 2.597 -99.200 -91.000 TYR 45 0.840 77.369 19.538 0.632 -99.200 -91.000 HIS 55 0.900 70.616 11.903 8.120 -99.200 -91.000 HIS 59 0.900 62.496 14.682 10.865 -99.200 -91.000 TYR 62 0.840 63.724 17.154 17.329 -99.200 -91.000 HIS 63 0.900 57.844 13.583 13.209 -99.200 -91.000 PHE 66 1.000 51.793 13.602 18.712 -99.200 -91.000 PHE 67 1.000 54.348 21.245 19.897 -99.200 -91.000 HIS 88 0.900 68.564 39.702 22.509 -99.200 -91.000 PHE 93 1.000 66.611 29.741 13.007 -99.200 -91.000 TYR 94 0.840 73.533 26.243 16.684 -99.200 -91.000 TRP 151 1.040 78.787 31.211 18.388 -99.200 -91.000 TRP6 151 1.020 76.678 30.145 18.547 -99.200 -91.000 TYR 152 0.840 87.424 28.284 13.371 -99.200 -91.000 TYR 155 0.840 86.800 18.227 13.272 -99.200 -91.000 PHE 179 1.000 79.406 26.220 19.407 -99.200 -91.000 PHE 198 1.000 84.848 1.355 -4.152 -99.200 -91.000 PHE 206 1.000 92.879 19.523 10.105 -99.200 -91.000 TRP 213 1.040 86.406 14.303 29.734 -99.200 -91.000 TRP6 213 1.020 84.622 15.803 29.361 -99.200 -91.000 HIS 254 0.900 80.695 15.323 12.912 -99.200 -91.000 PHE 261 1.000 71.409 0.924 15.399 -99.200 -91.000 PHE 288 1.000 74.047 26.422 22.488 -99.200 -91.000 PHE 316 1.000 69.989 27.250 8.228 -99.200 -91.000 TYR 318 0.840 70.644 19.053 1.708 -99.200 -91.000 TYR 323 0.840 66.554 28.530 -4.993 -99.200 -91.000 TYR 377 0.840 46.950 -12.785 7.566 -99.200 -91.000 TYR 381 0.840 43.537 -8.085 3.942 -99.200 -91.000 PHE 389 1.000 34.690 9.219 -10.250 -99.200 -91.000