============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 10 1.000 -1.313 67.604 16.350 -99.200 -91.000 PHE 12 1.000 7.688 73.717 16.025 -99.200 -91.000 PHE 15 1.000 3.679 79.278 16.613 -99.200 -91.000 HIS 21 0.900 -6.960 81.535 11.233 -99.200 -91.000 HIS 22 0.900 -5.911 82.668 17.790 -99.200 -91.000 PHE 28 1.000 0.105 77.300 27.952 -99.200 -91.000 TYR 29 0.840 -0.206 74.776 20.378 -99.200 -91.000 TYR 42 0.840 -6.159 56.084 14.436 -99.200 -91.000 PHE 59 1.000 -3.081 59.469 16.566 -99.200 -91.000 PHE 65 1.000 -1.111 55.682 18.826 -99.200 -91.000 HIS 80 0.900 -4.181 54.248 20.767 -99.200 -91.000 TYR 97 0.840 4.978 66.522 37.494 -99.200 -91.000 PHE 99 1.000 1.402 68.108 33.287 -99.200 -91.000 TYR 106 0.840 -19.495 65.322 28.429 -99.200 -91.000 TYR 111 0.840 -25.927 59.869 17.714 -99.200 -91.000 TYR 117 0.840 -15.222 54.324 20.990 -99.200 -91.000 TYR 125 0.840 -6.521 57.260 25.051 -99.200 -91.000 PHE 134 1.000 -24.648 66.849 23.335 -99.200 -91.000 TRP 148 1.040 -16.235 65.584 34.036 -99.200 -91.000 TRP6 148 1.020 -14.658 65.558 32.276 -99.200 -91.000 PHE 180 1.000 3.361 72.244 34.359 -99.200 -91.000 TRP 184 1.040 10.549 78.112 38.022 -99.200 -91.000 TRP6 184 1.020 10.566 77.525 35.732 -99.200 -91.000 PHE 188 1.000 13.193 82.702 38.227 -99.200 -91.000 PHE 198 1.000 7.093 90.862 27.496 -99.200 -91.000 TYR 212 0.840 18.674 89.256 39.191 -99.200 -91.000 PHE 217 1.000 19.216 78.995 35.505 -99.200 -91.000 PHE 234 1.000 8.638 73.460 34.766 -99.200 -91.000 PHE 261 1.000 11.680 66.690 14.422 -99.200 -91.000 TRP 267 1.040 18.031 76.908 16.101 -99.200 -91.000 TRP6 267 1.020 15.883 77.855 15.873 -99.200 -91.000 TYR 280 0.840 17.198 90.831 34.761 -99.200 -91.000 TYR 290 0.840 -5.705 78.276 21.032 -99.200 -91.000 PHE 305 1.000 -13.584 68.318 13.203 -99.200 -91.000 HIS 327 0.900 -5.761 72.070 24.044 -99.200 -91.000 HIS 330 0.900 -4.718 78.891 34.486 -99.200 -91.000 PHE 344 1.000 16.950 83.915 27.720 -99.200 -91.000 HIS 348 0.900 13.295 91.053 23.694 -99.200 -91.000 PHE 350 1.000 8.882 84.835 26.851 -99.200 -91.000 PHE 352 1.000 5.473 79.622 26.868 -99.200 -91.000 HIS 356 0.900 8.536 62.659 29.387 -99.200 -91.000 PHE 364 1.000 1.232 72.446 29.210 -99.200 -91.000 PHE 365 1.000 5.920 76.264 20.130 -99.200 -91.000