============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 78 rings ring int. center anis. iso. TYR 5 0.840 91.493 82.702 35.925 -99.200 -91.000 TYR 19 0.840 94.181 76.086 21.597 -99.200 -91.000 TYR 28 0.840 85.422 74.463 28.352 -99.200 -91.000 PHE 33 1.000 97.618 84.470 33.179 -99.200 -91.000 HIS 47 0.900 97.738 94.589 10.387 -99.200 -91.000 TYR 54 0.840 101.107 103.555 10.521 -99.200 -91.000 PHE 61 1.000 102.034 98.373 9.839 -99.200 -91.000 TRP 89 1.040 138.066 100.461 28.465 -99.200 -91.000 TRP6 89 1.020 136.940 98.604 27.536 -99.200 -91.000 PHE 94 1.000 136.671 91.432 17.490 -99.200 -91.000 PHE 95 1.000 133.422 93.443 25.813 -99.200 -91.000 HIS 125 0.900 104.550 92.186 12.886 -99.200 -91.000 TRP 126 1.040 98.398 89.158 10.185 -99.200 -91.000 TRP6 126 1.020 97.557 87.094 9.377 -99.200 -91.000 PHE 133 1.000 100.754 74.684 5.101 -99.200 -91.000 TRP 153 1.040 94.278 68.472 6.934 -99.200 -91.000 TRP6 153 1.020 95.258 70.234 8.197 -99.200 -91.000 TYR 157 0.840 93.666 74.394 5.505 -99.200 -91.000 TYR 163 0.840 86.877 80.473 14.347 -99.200 -91.000 PHE 164 1.000 93.795 84.457 10.838 -99.200 -91.000 PHE 171 1.000 93.964 94.404 -2.137 -99.200 -91.000 HIS 177 0.900 94.724 91.413 -8.207 -99.200 -91.000 TYR 188 0.840 104.320 81.553 -15.954 -99.200 -91.000 PHE 194 1.000 100.549 83.178 -12.399 -99.200 -91.000 PHE 208 1.000 90.558 101.583 6.933 -99.200 -91.000 TRP 211 1.040 95.388 95.563 5.688 -99.200 -91.000 TRP6 211 1.020 95.667 94.088 3.854 -99.200 -91.000 PHE 218 1.000 87.748 86.244 22.884 -99.200 -91.000 PHE 233 1.000 89.776 86.642 27.294 -99.200 -91.000 PHE 236 1.000 94.285 88.268 34.572 -99.200 -91.000 HIS 257 0.900 105.300 78.090 39.743 -99.200 -91.000 HIS 259 0.900 108.805 88.779 36.877 -99.200 -91.000 PHE 267 1.000 101.145 87.277 42.000 -99.200 -91.000 TYR 274 0.840 97.604 74.262 33.759 -99.200 -91.000 HIS 282 0.900 110.023 83.907 23.271 -99.200 -91.000 PHE 292 1.000 106.961 69.053 29.460 -99.200 -91.000 TYR 313 0.840 113.272 65.116 13.717 -99.200 -91.000 PHE 321 1.000 112.278 92.440 -1.932 -99.200 -91.000 TYR 349 0.840 94.866 114.979 -22.989 -99.200 -91.000 TYR 353 0.840 85.282 104.120 -21.694 -99.200 -91.000 HIS 362 0.900 92.526 96.923 -20.732 -99.200 -91.000 TRP 365 1.040 85.788 96.773 -14.008 -99.200 -91.000 TRP6 365 1.020 88.053 96.912 -13.353 -99.200 -91.000 TRP 366 1.040 91.662 98.990 -17.553 -99.200 -91.000 TRP6 366 1.020 93.056 97.234 -16.821 -99.200 -91.000 HIS 373 0.900 95.690 109.421 -13.422 -99.200 -91.000 HIS 377 0.900 94.604 114.043 -11.038 -99.200 -91.000 PHE 386 1.000 97.946 111.007 -9.401 -99.200 -91.000 PHE 397 1.000 104.699 73.443 -2.580 -99.200 -91.000 HIS 401 0.900 103.697 76.230 -9.865 -99.200 -91.000 TRP 403 1.040 108.549 78.304 -6.725 -99.200 -91.000 TRP6 403 1.020 110.072 76.677 -7.563 -99.200 -91.000 HIS 404 0.900 102.263 81.664 -1.007 -99.200 -91.000 HIS 408 0.900 103.202 90.896 -1.439 -99.200 -91.000 PHE 412 1.00