============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. TYR 18 0.840 16.532 -38.080 78.236 -99.200 -91.000 HIS 28 0.900 10.828 -43.597 62.833 -99.200 -91.000 PHE 29 1.000 8.426 -38.585 63.876 -99.200 -91.000 PHE 30 1.000 15.784 -36.330 55.797 -99.200 -91.000 PHE 35 1.000 10.877 -34.370 54.395 -99.200 -91.000 TYR 41 0.840 10.537 -35.855 68.379 -99.200 -91.000 TYR 42 0.840 16.576 -33.502 62.716 -99.200 -91.000 TYR 44 0.840 10.671 -31.258 71.353 -99.200 -91.000 PHE 55 1.000 21.896 -32.127 67.847 -99.200 -91.000 TYR 56 0.840 22.350 -25.429 65.145 -99.200 -91.000 TYR 63 0.840 13.078 -25.465 57.535 -99.200 -91.000 PHE 75 1.000 17.257 -23.583 61.319 -99.200 -91.000 HIS 86 0.900 28.134 -30.421 58.493 -99.200 -91.000 PHE 103 1.000 22.818 -18.482 39.092 -99.200 -91.000 PHE 108 1.000 33.910 -17.805 49.696 -99.200 -91.000 PHE 144 1.000 34.212 -6.745 4.302 -99.200 -91.000 PHE 145 1.000 35.361 -1.865 4.064 -99.200 -91.000 PHE 148 1.000 35.223 -4.607 -1.520 -99.200 -91.000 HIS 151 0.900 40.349 6.647 -9.357 -99.200 -91.000 TYR 163 0.840 15.566 17.453 -8.283 -99.200 -91.000 TYR 167 0.840 27.355 15.712 -5.107 -99.200 -91.000 TYR 178 0.840 37.293 1.663 -0.246 -99.200 -91.000 TYR 185 0.840 39.218 1.277 8.243 -99.200 -91.000 TYR 199 0.840 22.084 9.710 -0.755 -99.200 -91.000 HIS 200 0.900 16.688 5.221 5.027 -99.200 -91.000 TYR 220 0.840 31.164 0.981 0.098 -99.200 -91.000 PHE 224 1.000 31.872 1.141 7.582 -99.200 -91.000 HIS 225 0.900 23.618 -0.769 10.615 -99.200 -91.000 PHE 226 1.000 29.057 -9.531 7.505 -99.200 -91.000 HIS 245 0.900 22.568 1.330 -9.974 -99.200 -91.000 TYR 251 0.840 21.891 -8.991 -6.058 -99.200 -91.000 PHE 253 1.000 29.766 -4.941 0.494 -99.200 -91.000 PHE 267 1.000 28.509 -16.815 -0.261 -99.200 -91.000 PHE 268 1.000 28.655 -21.157 -3.480 -99.200 -91.000 PHE 270 1.000 21.245 -13.322 -1.887 -99.200 -91.000 PHE 271 1.000 29.343 -13.911 -3.595 -99.200 -91.000 TYR 281 0.840 33.055 -5.474 -8.042 -99.200 -91.000 TYR 285 0.840 34.455 -13.545 -11.269 -99.200 -91.000 TYR 286 0.840 39.810 -12.179 -2.031 -99.200 -91.000 HIS 287 0.900 34.275 -10.631 -0.624 -99.200 -91.000 TYR 292 0.840 32.928 -22.343 -5.226 -99.200 -91.000 PHE 293 1.000 41.570 -21.473 1.147 -99.200 -91.000 TYR 298 0.840 41.245 -27.110 0.199 -99.200 -91.000 PHE 305 1.000 40.578 -17.433 -3.464 -99.200 -91.000 TYR 317 0.840 44.430 -8.869 1.208 -99.200 -91.000 TYR 319 0.840 49.338 -11.729 -7.597 -99.200 -91.000 TYR 327 0.840 50.258 -25.391 5.080 -99.200 -91.000 PHE 332 1.000 56.523 -25.171 3.533 -99.200 -91.000 PHE 338 1.000 50.863 -18.332 -6.458 -99.200 -91.000 PHE 339 1.000 52.136 -17.574 1.284 -99.200 -91.000 PHE 346 1.000 51.497 -7.648 -5.352 -99.200 -91.000 PHE 355 1.000 46.615 -13.450 4.756 -99.200 -91.000 PHE 356 1.000 56.469 -18.717 4.076 -99.200 -91.000 PHE 366 1.000 55.687 -23.492 16.857 -99.200 -91.000 TYR 373 0.840 53.389 -13.791 12.661 -99.200 -91.000 HIS 387 0.900 49.073 -2.134 2.847 -99.200 -91.000 PHE 411 1.000 54.008 -14.409 31.287 -99.200 -91.000 PHE 452 1.000 39.963 -12.948 31.010 -99.200 -91.000 PHE 471 1.000 38.202 -17.380 28.961 -99.200 -91.000