============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 75 rings ring int. center anis. iso. TYR 2 0.840 -4.451 -75.630 -9.844 -99.200 -91.000 TYR 12 0.840 -15.429 -76.507 2.371 -99.200 -91.000 PHE 34 1.000 -35.014 -56.364 13.753 -99.200 -91.000 TYR 46 0.840 -20.528 -44.757 18.453 -99.200 -91.000 PHE 47 1.000 -24.592 -46.545 13.240 -99.200 -91.000 PHE 54 1.000 -37.445 -48.023 10.777 -99.200 -91.000 PHE 61 1.000 -35.433 -44.235 25.607 -99.200 -91.000 TRP 67 1.040 -38.155 -53.144 15.529 -99.200 -91.000 TRP6 67 1.020 -37.274 -50.998 15.102 -99.200 -91.000 PHE 71 1.000 -27.143 -58.249 20.733 -99.200 -91.000 TYR 82 0.840 -23.780 -71.563 23.343 -99.200 -91.000 TYR 101 0.840 -13.699 -75.740 22.767 -99.200 -91.000 HIS 112 0.900 -18.754 -58.127 25.206 -99.200 -91.000 PHE 118 1.000 -32.033 -59.397 25.917 -99.200 -91.000 TYR 123 0.840 -21.890 -67.785 28.710 -99.200 -91.000 TYR 136 0.840 -33.074 -66.274 32.130 -99.200 -91.000 TYR 143 0.840 -19.406 -59.119 32.266 -99.200 -91.000 PHE 146 1.000 -19.308 -63.492 29.117 -99.200 -91.000 PHE 147 1.000 -13.364 -61.201 33.844 -99.200 -91.000 TYR 171 0.840 -11.721 -64.890 5.084 -99.200 -91.000 TYR 173 0.840 -6.535 -60.862 15.147 -99.200 -91.000 TRP 180 1.040 -7.272 -65.623 16.401 -99.200 -91.000 TRP6 180 1.020 -9.516 -64.963 16.813 -99.200 -91.000 PHE 183 1.000 -10.815 -60.070 20.057 -99.200 -91.000 TYR 197 0.840 -17.591 -47.301 38.579 -99.200 -91.000 TRP 227 1.040 -15.385 -61.798 10.205 -99.200 -91.000 TRP6 227 1.020 -17.709 -62.097 9.948 -99.200 -91.000 TYR 229 0.840 -17.045 -64.028 6.206 -99.200 -91.000 PHE 230 1.000 -19.069 -58.547 5.825 -99.200 -91.000 TYR 238 0.840 -23.469 -49.761 1.242 -99.200 -91.000 TYR 243 0.840 -32.479 -53.207 4.307 -99.200 -91.000 HIS 251 0.900 -30.658 -36.182 -3.612 -99.200 -91.000 HIS 263 0.900 -29.820 -40.484 6.998 -99.200 -91.000 TYR 271 0.840 -19.453 -34.745 23.102 -99.200 -91.000 TYR 274 0.840 -13.870 -32.324 21.534 -99.200 -91.000 PHE 282 1.000 -14.920 -41.537 13.128 -99.200 -91.000 PHE 283 1.000 -19.525 -38.470 11.705 -99.200 -91.000 TRP 288 1.040 -29.706 -30.477 6.817 -99.200 -91.000 TRP6 288 1.020 -31.897 -29.610 6.574 -99.200 -91.000 TYR 293 0.840 -18.250 -33.653 7.878 -99.200 -91.000 HIS 309 0.900 -33.307 -35.652 1.045 -99.200 -91.000 TYR 311 0.840 -31.202 -33.944 9.675 -99.200 -91.000 TYR 323 0.840 -14.037 -50.989 11.893 -99.200 -91.000 TRP 324 1.040 -15.735 -59.004 15.579 -99.200 -91.000 TRP6 324 1.020 -14.852 -61.175 15.847 -99.200 -91.000 PHE 331 1.000 -8.951 -43.368 23.842 -99.200 -91.000 PHE 340 1.000 -12.523 -47.708 37.801 -99.200 -91.000 PHE 342 1.000 -8.245 -51.525 38.109 -99.200 -91.000 PHE 350 1.000 -1.134 -47.146 28.935 -99.200 -91.000 TYR 351 0.840 -7.112 -38.137 26.499 -99.200 -91.000 PHE 359 1.000 -6.976 -37.272 14.858 -99.200 -91.000 TRP 362 1.040 -11.279 -44.419 12.024 -99.200 -91.000 TRP6 362 1.020 -12.934 -45.448 10.688 -99.200 -91.000 TYR 370 0.840 -8.836 -34.193 18.320 -99.200 -91.000 TYR 381 0.840 -29.145 -31.348 16.198 -99.200 -91.000 TYR 390 0.840 -29.958 -30.377 24.583 -99.200 -91.000 TRP 401 1.040 -4.019 -36.438 31.221 -99.200 -91.000 TRP6 401 1.020 -5.871 -37.895 31.421 -99.200 -91.000 TRP 419 1.040 -19.642 -41.887 21.972 -99.200 -91.000 TRP6 419 1.020 -19.961 -39.570 21.535 -99.200 -91.000 TRP 423 1.040 -18.100 -43.985 12.747 -99.200 -91.000 TRP6 423 1.020 -20.265 -43.104 13.063 -99.200 -91.000 TRP 430 1.040 -27.128 -49.124 25.823 -99.200 -91.000 TRP6 430 1.020 -28.035 -51.283 25.697 -99.200 -91.000 PHE 433 1.000 -25.312 -42.468 28.673 -99.200 -91.000 TYR 438 0.840 -18.624 -38.753 32.453 -99.200 -91.000 TYR 463 0.840 -34.898 -61.141 31.361 -99.200 -91.000 PHE 468 1.000 -41.783 -63.115 30.800 -99.200 -91.000 TYR 477 0.840 -34.327 -68.638 41.067 -99.200 -91.000 TYR 482 0.840 -30.102 -65.587 39.172 -99.200 -91.000 HIS 484 0.900 -29.954 -58.359 42.215 -99.200 -91.000 TRP 493 1.040 -23.494 -57.604 39.675 -99.200 -91.000 TRP6 493 1.020 -21.348 -58.140 38.869 -99.200 -91.000 TRP 494 1.040 -22.129 -54.881 32.878 -99.200 -91.000 TRP6 494 1.020 -22.728 -52.840 31.849 -99.200 -91.000