============================================================================= 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. PHE 7 1.000 -62.261 97.605 -16.912 -99.200 -91.000 PHE 16 1.000 -82.473 93.119 -26.812 -99.200 -91.000 HIS 20 0.900 -78.569 78.653 -47.885 -99.200 -91.000 TRP 21 1.040 -74.797 75.676 -49.405 -99.200 -91.000 TRP6 21 1.020 -73.553 74.427 -47.819 -99.200 -91.000 TRP 34 1.040 -84.975 56.578 -38.339 -99.200 -91.000 TRP6 34 1.020 -83.685 58.038 -36.992 -99.200 -91.000 TYR 37 0.840 -87.972 62.842 -39.317 -99.200 -91.000 TRP 44 1.040 -82.517 66.333 -39.409 -99.200 -91.000 TRP6 44 1.020 -80.990 67.377 -37.923 -99.200 -91.000 PHE 52 1.000 -78.620 83.277 -26.656 -99.200 -91.000 PHE 65 1.000 -73.172 94.218 -29.907 -99.200 -91.000 PHE 69 1.000 -77.511 79.411 -35.112 -99.200 -91.000 TRP 76 1.040 -87.373 80.430 -18.579 -99.200 -91.000 TRP6 76 1.020 -86.442 79.109 -16.855 -99.200 -91.000 HIS 79 0.900 -82.715 88.031 -18.902 -99.200 -91.000 HIS 81 0.900 -78.415 78.309 -12.957 -99.200 -91.000 PHE 82 1.000 -76.247 80.095 -16.909 -99.200 -91.000 PHE 85 1.000 -74.171 82.217 -10.716 -99.200 -91.000 PHE 98 1.000 -66.365 78.383 -18.284 -99.200 -91.000 TYR 101 0.840 -68.704 73.303 -16.831 -99.200 -91.000 PHE 105 1.000 -79.264 71.904 -11.448 -99.200 -91.000 TYR 106 0.840 -79.288 73.872 -15.891 -99.200 -91.000 TRP 124 1.040 -63.469 87.264 -23.066 -99.200 -91.000 TRP6 124 1.020 -61.284 87.998 -22.561 -99.200 -91.000 TYR 136 0.840 -55.737 91.791 -32.799 -99.200 -91.000 PHE 149 1.000 -60.986 83.355 -42.699 -99.200 -91.000 TYR 150 0.840 -61.499 74.813 -43.447 -99.200 -91.000 PHE 163 1.000 -62.756 81.523 -48.853 -99.200 -91.000 TRP 164 1.040 -56.143 77.196 -46.338 -99.200 -91.000 TRP6 164 1.020 -56.085 74.877 -45.878 -99.200 -91.000 PHE 172 1.000 -76.443 59.957 -51.597 -99.200 -91.000 HIS 178 0.900 -71.822 47.102 -49.156 -99.200 -91.000 PHE 187 1.000 -70.453 65.353 -52.888 -99.200 -91.000 HIS 191 0.900 -67.571 68.480 -55.340 -99.200 -91.000 PHE 199 1.000 -58.925 74.423 -53.638 -99.200 -91.000 TYR 205 0.840 -74.638 67.994 -38.703 -99.200 -91.000 TYR 211 0.840 -70.737 54.393 -44.894 -99.200 -91.000 TRP 226 1.040 -60.172 68.351 -42.274 -99.200 -91.000 TRP6 226 1.020 -58.860 70.314 -42.344 -99.200 -91.000 TRP 227 1.040 -61.443 61.248 -44.985 -99.200 -91.000 TRP6 227 1.020 -63.284 60.707 -46.348 -99.200 -91.000 PHE 239 1.000 -62.748 60.255 -34.554 -99.200 -91.000 HIS 246 0.900 -58.407 53.742 -43.815 -99.200 -91.000 PHE 251 1.000 -59.587 59.451 -40.273 -99.200 -91.000 HIS 256 0.900 -71.961 69.382 -33.583 -99.200 -91.000 TYR 258 0.840 -71.473 70.717 -26.180 -99.200 -91.000 TYR 261 0.840 -63.297 69.867 -16.190 -99.200 -91.000 PHE 263 1.000 -63.371 70.786 -27.421 -99.200 -91.000 TRP 280 1.040 -72.982 74.147 -29.676 -99.200 -91.000 TRP6 280 1.020 -74.865 75.525 -30.049 -99.200 -91.000 TYR 297 0.840 -50.486 66.112 -24.433 -99.200 -91.000 HIS 304 0.900 -69.319 76.009 -36.578 -99.200 -91.000 TYR 309 0.840 -68.911 86.604 -31.577 -99.200 -91.000 TYR 311 0.840 -63.5