============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TYR 6 0.840 12.066 36.228 -49.763 -99.200 -91.000 HIS 18 0.900 15.609 34.488 -69.626 -99.200 -91.000 PHE 19 1.000 24.025 39.734 -66.452 -99.200 -91.000 HIS 25 0.900 26.826 50.187 -65.722 -99.200 -91.000 TYR 29 0.840 21.744 35.446 -63.038 -99.200 -91.000 PHE 32 1.000 7.487 43.560 -66.681 -99.200 -91.000 HIS 34 0.900 6.257 35.726 -58.288 -99.200 -91.000 PHE 38 1.000 3.549 36.918 -48.463 -99.200 -91.000 PHE 44 1.000 3.885 41.612 -39.682 -99.200 -91.000 PHE 54 1.000 7.712 44.370 -36.661 -99.200 -91.000 TRP 63 1.040 10.272 59.828 -41.311 -99.200 -91.000 TRP6 63 1.020 11.213 59.306 -43.419 -99.200 -91.000 PHE 64 1.000 7.685 55.292 -45.458 -99.200 -91.000 HIS 66 0.900 4.272 59.780 -36.635 -99.200 -91.000 PHE 73 1.000 9.400 59.223 -35.952 -99.200 -91.000 HIS 77 0.900 11.907 56.784 -32.882 -99.200 -91.000 HIS 80 0.900 21.818 55.856 -38.353 -99.200 -91.000 TRP 82 1.040 14.292 56.220 -45.656 -99.200 -91.000 TRP6 82 1.020 13.594 56.476 -47.897 -99.200 -91.000 TRP 85 1.040 18.101 57.608 -50.296 -99.200 -91.000 TRP6 85 1.020 18.477 57.363 -52.662 -99.200 -91.000 PHE 87 1.000 27.437 62.174 -46.104 -99.200 -91.000 TRP 90 1.040 26.898 67.861 -44.814 -99.200 -91.000 TRP6 90 1.020 26.941 70.197 -44.523 -99.200 -91.000 TYR 96 0.840 31.169 68.423 -47.805 -99.200 -91.000 HIS 97 0.900 32.892 75.225 -46.890 -99.200 -91.000 PHE 104 1.000 28.109 59.307 -50.458 -99.200 -91.000 HIS 106 0.900 30.034 53.012 -57.274 -99.200 -91.000 PHE 114 1.000 35.802 57.885 -49.834 -99.200 -91.000 TYR 118 0.840 29.808 57.109 -46.360 -99.200 -91.000 HIS 119 0.900 30.841 53.438 -43.606 -99.200 -91.000 PHE 125 1.000 23.476 64.915 -42.962 -99.200 -91.000 HIS 131 0.900 22.370 66.754 -30.450 -99.200 -91.000 PHE 135 1.000 23.203 70.231 -40.927 -99.200 -91.000 TYR 139 0.840 22.310 71.298 -45.604 -99.200 -91.000 TYR 146 0.840 7.702 55.284 -50.719 -99.200 -91.000 TRP 150 1.040 2.261 56.551 -48.814 -99.200 -91.000 TRP6 150 1.020 2.693 55.058 -47.021 -99.200 -91.000 TRP 153 1.040 -0.479 64.238 -55.532 -99.200 -91.000 TRP6 153 1.020 0.701 62.356 -56.313 -99.200 -91.000 HIS 154 0.900 3.247 70.089 -52.155 -99.200 -91.000 HIS 174 0.900 -19.028 55.894 -49.911 -99.200 -91.000 TYR 176 0.840 -19.331 46.225 -49.555 -99.200 -91.000 TRP 185 1.040 5.268 57.152 -61.665 -99.200 -91.000 TRP6 185 1.020 7.429 56.153 -61.426 -99.200 -91.000 HIS 199 0.900 8.038 49.963 -51.664 -99.200 -91.000 TYR 202 0.840 -0.618 52.146 -50.315 -99.200 -91.000 PHE 204 1.000 -5.591 50.469 -47.912 -99.200 -91.000 TYR 205 0.840 -11.871 42.828 -52.660 -99.200 -91.000 TYR 216 0.840 3.160 47.433 -60.789 -99.200 -91.000 PHE 223 1.000 20.309 38.176 -49.140 -99.200 -91.000 PHE 228 1.000 14.657 45.533 -44.027 -99.200 -91.000 TYR 233 0.840 3.835 48.820 -48.693 -99.200 -91.000 HIS 238 0.900 -1.995 42.640 -39.061 -99.200 -91.000 HIS 242 0.900 -6.216 48.652 -33.696 -99.200 -91.000 PHE 251 1.000 1.815 42.666 -48.974 -99.200 -91.000 HIS 253 0.900 5.576 42.576 -52.362 -99.200 -91.000 PHE 255 1.000 7.363 41.227 -55.878 -99.200 -91.000 HIS 259 0.900 16.027 44.002 -59.261 -99.200 -91.000 HIS 264 0.900 22.686 40.735 -52.864 -99.200 -91.000 HIS 289 0.900 -9.483 52.063 -31.035 -99.200 -91.000 PHE 292 1.000 -3.216 59.076 -40.568 -99.200 -91.000 PHE 294 1.000 -1.439 52.499 -33.220 -99.200 -91.000 TYR 304 0.840 11.494 37.478 -36.516 -99.200 -91.000 TYR 307 0.840 16.751 28.513 -39.751 -99.200 -91.000