============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 6 1.000 13.140 110.370 42.685 -99.200 -91.000 TYR 16 0.840 14.837 95.531 33.019 -99.200 -91.000 TRP 18 1.040 7.949 95.480 41.897 -99.200 -91.000 TRP6 18 1.020 6.623 96.935 43.204 -99.200 -91.000 PHE 33 1.000 8.348 102.537 44.565 -99.200 -91.000 TRP 36 1.040 4.720 110.656 32.877 -99.200 -91.000 TRP6 36 1.020 3.892 109.612 30.919 -99.200 -91.000 TYR 40 0.840 0.561 110.157 42.736 -99.200 -91.000 PHE 43 1.000 2.699 102.259 41.661 -99.200 -91.000 TYR 47 0.840 1.175 101.075 48.645 -99.200 -91.000 PHE 52 1.000 0.799 97.742 42.472 -99.200 -91.000 PHE 72 1.000 10.924 112.729 38.133 -99.200 -91.000 PHE 76 1.000 6.197 119.472 32.308 -99.200 -91.000 TYR 92 0.840 0.533 116.033 34.113 -99.200 -91.000 TYR 98 0.840 3.302 118.422 38.053 -99.200 -91.000 HIS 108 0.900 18.286 119.107 51.334 -99.200 -91.000 TYR 111 0.840 11.294 111.313 53.118 -99.200 -91.000 HIS 119 0.900 16.804 108.274 33.235 -99.200 -91.000 TYR 139 0.840 16.670 112.364 16.473 -99.200 -91.000 TYR 148 0.840 18.397 118.555 29.567 -99.200 -91.000 TYR 156 0.840 17.201 121.597 38.586 -99.200 -91.000 PHE 157 1.000 16.797 114.209 42.577 -99.200 -91.000 TYR 172 0.840 17.611 96.623 23.335 -99.200 -91.000 HIS 173 0.900 24.548 95.525 21.683 -99.200 -91.000 TYR 182 0.840 14.939 100.526 21.467 -99.200 -91.000 TYR 202 0.840 36.453 115.663 33.341 -99.200 -91.000 HIS 203 0.900 31.733 117.945 33.196 -99.200 -91.000 TYR 208 0.840 29.055 118.318 42.294 -99.200 -91.000 PHE 231 1.000 11.843 95.043 19.612 -99.200 -91.000 TYR 234 0.840 12.788 88.495 16.372 -99.200 -91.000 TYR 238 0.840 18.212 86.387 17.960 -99.200 -91.000 TYR 242 0.840 19.357 81.897 17.908 -99.200 -91.000 PHE 260 1.000 29.412 95.330 42.393 -99.200 -91.000 TYR 275 0.840 26.231 95.613 26.548 -99.200 -91.000 PHE 284 1.000 29.097 88.816 12.865 -99.200 -91.000