============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 92 rings ring int. center anis. iso. HIS 23 0.900 -1.541 93.721 45.244 -99.200 -91.000 PHE 27 1.000 -7.597 81.144 40.539 -99.200 -91.000 PHE 32 1.000 -8.744 66.473 46.160 -99.200 -91.000 PHE 42 1.000 -13.979 54.307 58.247 -99.200 -91.000 TRP 51 1.040 -18.324 73.895 39.654 -99.200 -91.000 TRP6 51 1.020 -16.393 72.639 40.199 -99.200 -91.000 TRP 55 1.040 -16.048 75.852 44.537 -99.200 -91.000 TRP6 55 1.020 -17.489 74.049 45.047 -99.200 -91.000 TYR 60 0.840 -6.133 79.092 53.233 -99.200 -91.000 TYR 67 0.840 -4.315 64.280 69.435 -99.200 -91.000 PHE 72 1.000 3.726 71.764 75.405 -99.200 -91.000 PHE 75 1.000 4.921 77.084 72.709 -99.200 -91.000 TRP 81 1.040 3.635 72.720 63.917 -99.200 -91.000 TRP6 81 1.020 4.580 72.867 61.748 -99.200 -91.000 TYR 93 0.840 -13.619 71.272 49.495 -99.200 -91.000 TRP 97 1.040 -1.474 81.036 47.285 -99.200 -91.000 TRP6 97 1.020 -1.773 79.025 48.494 -99.200 -91.000 TRP 111 1.040 2.872 71.548 51.665 -99.200 -91.000 TRP6 111 1.020 5.137 71.124 52.184 -99.200 -91.000 TYR 113 0.840 -2.402 67.860 54.828 -99.200 -91.000 PHE 117 1.000 1.410 58.863 56.045 -99.200 -91.000 TYR 118 0.840 -0.697 62.607 64.449 -99.200 -91.000 TYR 127 0.840 1.984 73.119 55.831 -99.200 -91.000 TYR 131 0.840 4.464 84.876 52.227 -99.200 -91.000 TYR 134 0.840 6.157 88.828 44.147 -99.200 -91.000 TYR 145 0.840 -2.549 63.560 53.322 -99.200 -91.000 PHE 150 1.000 -12.496 60.370 60.593 -99.200 -91.000 PHE 152 1.000 -3.510 57.219 55.151 -99.200 -91.000 HIS 156 0.900 -5.483 43.199 51.058 -99.200 -91.000 TRP 176 1.040 -9.375 69.214 39.543 -99.200 -91.000 TRP6 176 1.020 -8.421 71.380 39.476 -99.200 -91.000 HIS 178 0.900 -1.536 64.561 33.509 -99.200 -91.000 PHE 183 1.000 -8.363 74.047 31.171 -99.200 -91.000 PHE 184 1.000 -6.699 76.865 37.889 -99.200 -91.000 PHE 194 1.000 6.719 71.810 47.628 -99.200 -91.000 HIS 206 0.900 1.199 59.829 45.645 -99.200 -91.000 PHE 216 1.000 5.513 61.940 40.829 -99.200 -91.000 TRP 230 1.040 7.904 57.501 60.838 -99.200 -91.000 TRP6 230 1.020 6.655 58.839 59.331 -99.200 -91.000 HIS 261 0.900 -22.527 47.796 57.007 -99.200 -91.000 TRP 276 1.040 -3.612 59.434 69.453 -99.200 -91.000 TRP6 276 1.020 -1.579 59.586 68.245 -99.200 -91.000 PHE 281 1.000 5.199 46.409 69.647 -99.200 -91.000 PHE 285 1.000 9.100 60.256 64.134 -99.200 -91.000 PHE 287 1.000 3.329 59.286 63.884 -99.200 -91.000 PHE 289 1.000 -6.613 53.744 62.766 -99.200 -91.000 PHE 297 1.000 -0.340 54.283 46.652 -99.200 -91.000 PHE 298 1.000 2.634 51.687 49.191 -99.200 -91.000 PHE 311 1.000 13.406 53.143 42.301 -99.200 -91.000 PHE 327 1.000 5.963 67.127 68.042 -99.200 -91.000 PHE 328 1.000 7.864 63.188 66.212 -99.200 -91.000 TYR 331 0.840 3.931 67.478 71.819 -99.200 -91.000 PHE 336 1.000 13.668 63.906 76.534 -99.200 -91.000 PHE 349 1.000 20.360 57.019 76.694 -99.200 -91.000 HIS 359 0.900