============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. TYR 5 0.840 -84.409 3.241 -26.013 -99.200 -91.000 PHE 6 1.000 -82.276 6.436 -28.982 -99.200 -91.000 PHE 13 1.000 -71.534 1.312 -27.595 -99.200 -91.000 PHE 18 1.000 -66.972 3.395 -25.058 -99.200 -91.000 HIS 21 0.900 -74.055 14.158 -23.907 -99.200 -91.000 PHE 22 1.000 -80.041 10.992 -27.353 -99.200 -91.000 PHE 27 1.000 -78.818 20.182 -28.445 -99.200 -91.000 PHE 49 1.000 -62.823 19.724 -25.620 -99.200 -91.000 TYR 50 0.840 -58.273 14.020 -30.258 -99.200 -91.000 HIS 61 0.900 -70.236 -1.244 -41.968 -99.200 -91.000 TRP 64 1.040 -66.607 -0.906 -47.262 -99.200 -91.000 TRP6 64 1.020 -64.369 -0.259 -47.679 -99.200 -91.000 PHE 74 1.000 -61.961 -9.107 -42.469 -99.200 -91.000 TYR 75 0.840 -60.650 0.718 -37.400 -99.200 -91.000 PHE 96 1.000 -63.092 -5.122 -35.547 -99.200 -91.000 TYR 119 0.840 -50.494 -11.656 -36.320 -99.200 -91.000 TYR 131 0.840 -52.417 -14.014 -27.729 -99.200 -91.000 PHE 142 1.000 -46.897 -16.134 -47.687 -99.200 -91.000 HIS 155 0.900 -51.533 -20.421 -36.918 -99.200 -91.000 PHE 179 1.000 -44.218 -4.717 -44.035 -99.200 -91.000 PHE 205 1.000 -54.583 -4.617 -53.998 -99.200 -91.000 HIS 206 0.900 -52.322 0.130 -47.705 -99.200 -91.000 PHE 217 1.000 -57.224 0.949 -54.136 -99.200 -91.000 PHE 228 1.000 -56.943 -15.131 -55.954 -99.200 -91.000 PHE 236 1.000 -50.801 -23.324 -52.406 -99.200 -91.000 TYR 239 0.840 -60.883 -18.803 -49.170 -99.200 -91.000 PHE 247 1.000 -60.300 2.058 -49.878 -99.200 -91.000 PHE 257 1.000 -65.257 4.948 -49.960 -99.200 -91.000 TYR 271 0.840 -58.119 -7.298 -64.312 -99.200 -91.000 PHE 272 1.000 -59.140 -11.356 -58.408 -99.200 -91.000 TYR 287 0.840 -64.812 4.936 -45.741 -99.200 -91.000 TYR 288 0.840 -65.138 1.550 -41.567 -99.200 -91.000 PHE 293 1.000 -61.514 9.937 -32.575 -99.200 -91.000 PHE 310 1.000 -49.998 39.021 -32.650 -99.200 -91.000 TYR 312 0.840 -51.512 33.407 -31.648 -99.200 -91.000 TYR 313 0.840 -44.808 29.241 -27.490 -99.200 -91.000 TYR 319 0.840 -41.343 15.318 -28.950 -99.200 -91.000 PHE 322 1.000 -51.923 19.109 -33.760 -99.200 -91.000 TYR 327 0.840 -43.499 8.968 -36.245 -99.200 -91.000 HIS 329 0.900 -44.844 11.621 -44.756 -99.200 -91.000 HIS 331 0.900 -49.624 18.134 -46.344 -99.200 -91.000 TYR 346 0.840 -58.234 36.891 -40.514 -99.200 -91.000 TYR 347 0.840 -52.442 41.417 -36.419 -99.200 -91.000 TRP 352 1.040 -44.223 28.195 -32.345 -99.200 -91.000 TRP6 352 1.020 -42.095 27.412 -33.038 -99.200 -91.000 HIS 372 0.900 -56.285 38.699 -27.104 -99.200 -91.000 TRP 376 1.040 -61.084 26.565 -25.711 -99.200 -91.000 TRP6 376 1.020 -60.334 24.487 -24.851 -99.200 -91.000 PHE 379 1.000 -55.048 22.454 -35.134 -99.200 -91.000 TYR 385 0.840 -52.842 5.742 -39.942 -99.200 -91.000 PHE 393 1.000 -39.660 15.023 -25.076 -99.200 -91.000 PHE 396 1.000 -46.539 19.367 -21.509 -99.200 -91.000 TYR 402 0.840 -64.676 14.941 -22.614 -99.200 -91.000 TYR 403 0.840 -64.901 7.732 -27.835 -99.200 -91.000 TRP 410 1.040 -78.636 2.232 -29.690 -99.200 -91.000 TRP6 410 1.020 -76.765 1.767 -28.325 -99.200 -91.000 PHE 416 1.000 -74.745 -0.420 -40.399 -99.200 -91.000