============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 11 0.840 3.473 9.938 -49.608 -99.200 -91.000 TYR 16 0.840 -1.380 -8.554 -46.883 -99.200 -91.000 TYR 28 0.840 -2.171 12.836 -38.854 -99.200 -91.000 HIS 45 0.900 -7.975 0.825 -48.516 -99.200 -91.000 PHE 48 1.000 -9.819 -5.123 -38.229 -99.200 -91.000 TYR 50 0.840 -1.695 -9.570 -33.011 -99.200 -91.000 PHE 54 1.000 -4.520 -1.300 -27.076 -99.200 -91.000 TYR 66 0.840 7.837 14.722 -25.235 -99.200 -91.000 HIS 76 0.900 3.553 16.421 -15.300 -99.200 -91.000 TYR 79 0.840 5.331 26.084 -17.709 -99.200 -91.000 TRP 84 1.040 5.315 21.480 -13.485 -99.200 -91.000 TRP6 84 1.020 3.526 22.960 -13.053 -99.200 -91.000 TYR 90 0.840 -1.257 17.544 -6.206 -99.200 -91.000 TYR 95 0.840 -5.808 27.618 -12.510 -99.200 -91.000 TYR 99 0.840 -9.542 25.654 -14.288 -99.200 -91.000 PHE 111 1.000 -7.294 24.520 -8.530 -99.200 -91.000 HIS 124 0.900 -26.498 8.331 1.679 -99.200 -91.000 HIS 135 0.900 -10.575 -8.551 5.866 -99.200 -91.000 HIS 137 0.900 -5.074 -2.951 -0.987 -99.200 -91.000 HIS 153 0.900 -21.570 13.500 -12.552 -99.200 -91.000 HIS 155 0.900 -31.035 11.083 -7.101 -99.200 -91.000 TYR 181 0.840 -3.748 4.826 8.942 -99.200 -91.000 HIS 183 0.900 -13.530 0.036 7.341 -99.200 -91.000 HIS 185 0.900 -4.397 1.299 11.234 -99.200 -91.000 PHE 189 1.000 -14.823 6.291 8.195 -99.200 -91.000 TYR 196 0.840 -5.184 21.636 10.163 -99.200 -91.000 TYR 198 0.840 -5.450 17.357 -1.888 -99.200 -91.000 PHE 202 1.000 -3.542 11.239 2.897 -99.200 -91.000 TYR 204 0.840 -7.538 16.875 11.658 -99.200 -91.000 PHE 207 1.000 -0.463 9.156 9.984 -99.200 -91.000 TYR 213 0.840 -1.743 14.871 14.102 -99.200 -91.000 HIS 219 0.900 6.288 13.839 8.964 -99.200 -91.000 PHE 227 1.000 -0.662 14.235 -1.929 -99.200 -91.000 HIS 230 0.900 4.261 9.090 -6.986 -99.200 -91.000 HIS 233 0.900 5.611 8.673 -16.070 -99.200 -91.000 TYR 253 0.840 -17.662 12.463 -9.591 -99.200 -91.000 TRP 264 1.040 -6.206 -3.323 -5.532 -99.200 -91.000 TRP6 264 1.020 -8.473 -3.892 -5.185 -99.200 -91.000 HIS 268 0.900 -0.529 1.483 -14.120 -99.200 -91.000 TYR 291 0.840 19.914 -10.411 0.213 -99.200 -91.000 PHE 302 1.000 17.962 -8.965 -4.073 -99.200 -91.000 PHE 307 1.000 18.431 0.909 -6.287 -99.200 -91.000 HIS 309 0.900 11.162 4.455 -15.801 -99.200 -91.000 TYR 312 0.840 11.467 9.151 -17.015 -99.200 -91.000 HIS 335 0.900 20.044 10.466 12.470 -99.200 -91.000 PHE 356 1.000 26.465 -5.060 -12.135 -99.200 -91.000 PHE 357 1.000 24.283 -2.225 -8.226 -99.200 -91.000 PHE 363 1.000 17.949 5.549 -13.713 -99.200 -91.000 PHE 368 1.000 15.817 3.165 -2.534 -99.200 -91.000 TYR 369 0.840 15.566 8.295 -3.866 -99.200 -91.000 PHE 384 1.000 4.302 2.327 0.932 -99.200 -91.000 PHE 388 1.000 1.134 5.611 -8.914 -99.200 -91.000 TRP 396 1.040 -5.887 7.945 -13.425 -99.200 -91.000 TRP6 396 1.020 -6.349 6.898 -11.348 -99.200 -91.000 TRP 400 1.040 -13.916 11.812 -18.301 -99.200 -91.000 TRP6 400 1.020 -15.115 13.770 -17.793 -99.200 -91.000 TYR 418 0.840 -12.735 -16.899 -34.034 -99.200 -91.000 PHE 426 1.000 -24.540 -26.444 -29.803 -99.200 -91.000