============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TYR 11 0.840 -41.530 60.740 5.971 -99.200 -91.000 HIS 17 0.900 -45.956 59.765 16.490 -99.200 -91.000 TYR 22 0.840 -51.075 67.820 9.489 -99.200 -91.000 TRP 23 1.040 -55.056 63.352 12.000 -99.200 -91.000 TRP6 23 1.020 -57.133 62.320 12.476 -99.200 -91.000 TYR 25 0.840 -60.716 64.924 4.820 -99.200 -91.000 HIS 28 0.900 -60.156 74.095 7.127 -99.200 -91.000 TRP 32 1.040 -65.615 80.388 2.709 -99.200 -91.000 TRP6 32 1.020 -65.433 79.028 0.791 -99.200 -91.000 TYR 38 0.840 -57.530 86.870 -5.133 -99.200 -91.000 TYR 49 0.840 -65.094 65.077 -13.928 -99.200 -91.000 PHE 53 1.000 -61.179 80.802 -15.927 -99.200 -91.000 PHE 112 1.000 -54.216 75.942 -6.528 -99.200 -91.000 HIS 114 0.900 -49.324 82.393 -13.823 -99.200 -91.000 PHE 120 1.000 -41.556 66.569 -16.262 -99.200 -91.000 TYR 124 0.840 -42.076 64.023 -20.524 -99.200 -91.000 TYR 130 0.840 -27.502 68.544 -15.190 -99.200 -91.000 PHE 134 1.000 -32.612 71.075 -11.596 -99.200 -91.000 TYR 135 0.840 -36.813 70.536 -14.892 -99.200 -91.000 TYR 137 0.840 -32.388 65.634 -5.394 -99.200 -91.000 TYR 145 0.840 -43.160 69.852 3.158 -99.200 -91.000 HIS 147 0.900 -44.798 60.318 -0.316 -99.200 -91.000 HIS 153 0.900 -50.334 64.405 -6.442 -99.200 -91.000 HIS 159 0.900 -52.595 67.882 -17.797 -99.200 -91.000 HIS 165 0.900 -36.412 73.315 -19.532 -99.200 -91.000 HIS 167 0.900 -38.012 82.303 -14.287 -99.200 -91.000 TRP 175 1.040 -51.039 69.165 -4.253 -99.200 -91.000 TRP6 175 1.020 -49.607 67.587 -3.199 -99.200 -91.000 PHE 180 1.000 -54.858 64.890 5.778 -99.200 -91.000 TYR 181 0.840 -49.982 55.198 5.953 -99.200 -91.000 HIS 182 0.900 -55.446 59.208 8.898 -99.200 -91.000 TYR 187 0.840 -55.770 55.214 2.731 -99.200 -91.000 TYR 195 0.840 -52.287 55.429 -20.145 -99.200 -91.000 PHE 196 1.000 -48.814 58.347 -15.463 -99.200 -91.000 TYR 205 0.840 -52.718 45.079 0.376 -99.200 -91.000 TYR 208 0.840 -53.888 53.007 -1.763 -99.200 -91.000 TYR 210 0.840 -46.853 58.248 3.610 -99.200 -91.000 TRP 215 1.040 -46.468 51.471 -10.457 -99.200 -91.000 TRP6 215 1.020 -45.318 49.410 -10.712 -99.200 -91.000 PHE 226 1.000 -36.523 52.502 -20.961 -99.200 -91.000 PHE 231 1.000 -41.752 51.251 -20.011 -99.200 -91.000 PHE 232 1.000 -45.180 49.409 -16.847 -99.200 -91.000 HIS 233 0.900 -51.699 52.590 -24.726 -99.200 -91.000 HIS 235 0.900 -55.479 49.364 -25.438 -99.200 -91.000 TYR 238 0.840 -60.210 43.292 -14.651 -99.200 -91.000 TYR 254 0.840 -49.114 34.654 -11.603 -99.200 -91.000 TYR 256 0.840 -47.697 42.825 -4.258 -99.200 -91.000 TYR 260 0.840 -47.770 42.418 0.745 -99.200 -91.000 PHE 268 1.000 -56.182 40.843 -13.348 -99.200 -91.000 HIS 275 0.900 -47.375 37.594 -20.051 -99.200 -91.000 TRP 280 1.040 -34.877 47.673 -16.903 -99.200 -91.000 TRP6 280 1.020 -37.129 48.313 -16.886 -99.200 -91.000 PHE 283 1.000 -39.439 47.379 -22.740 -99.200 -91.000 HIS 285 0.900 -36.297 50.672 -29.488 -99.200 -91.000 HIS 290 0.900 -30.638 60.826 -26.048 -99.200 -91.000 PHE 299 1.000 -34.652 56.676 -9.228 -99.200 -91.000 TYR 306 0.840 -44.987 42.720 -10.455 -99.200 -91.000 HIS 308 0.900 -47.511 47.192 -0.536 -99.200 -91.000 HIS 320 0.900 -30.251 54.771 -7.807 -99.200 -91.000 TYR 322 0.840 -31.746 59.137 -12.845 -99.200 -91.000 PHE 323 1.000 -32.642 61.398 -8.510 -99.200 -91.000 TYR 324 0.840 -21.654 61.461 -6.556 -99.200 -91.000