============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 2 0.840 32.592 -2.039 46.468 -99.200 -91.000 TYR 12 0.840 22.608 -5.324 20.412 -99.200 -91.000 TRP 37 1.040 10.075 -2.446 27.946 -99.200 -91.000 TRP6 37 1.020 8.026 -1.338 27.635 -99.200 -91.000 PHE 47 1.000 8.061 -5.281 23.829 -99.200 -91.000 TRP 59 1.040 12.565 8.123 27.842 -99.200 -91.000 TRP6 59 1.020 12.621 6.439 29.499 -99.200 -91.000 PHE 60 1.000 8.963 9.305 30.990 -99.200 -91.000 PHE 71 1.000 2.195 12.584 9.212 -99.200 -91.000 TRP 73 1.040 -0.310 5.065 2.994 -99.200 -91.000 TRP6 73 1.020 1.905 5.570 2.368 -99.200 -91.000 TYR 84 0.840 4.336 3.529 30.507 -99.200 -91.000 TYR 93 0.840 20.988 15.005 20.436 -99.200 -91.000 TYR 99 0.840 13.479 8.327 15.431 -99.200 -91.000 TYR 122 0.840 33.951 1.329 5.982 -99.200 -91.000 PHE 123 1.000 37.008 -4.139 12.736 -99.200 -91.000 TYR 136 0.840 36.137 -9.504 9.948 -99.200 -91.000 TYR 139 0.840 37.744 -11.492 20.524 -99.200 -91.000 PHE 140 1.000 32.993 -8.816 13.379 -99.200 -91.000 HIS 151 0.900 22.327 -17.341 8.238 -99.200 -91.000 TRP 156 1.040 7.900 -18.965 4.475 -99.200 -91.000 TRP6 156 1.020 8.468 -16.940 5.533 -99.200 -91.000 PHE 157 1.000 13.052 -13.299 0.071 -99.200 -91.000 TRP 162 1.040 2.941 -13.024 5.463 -99.200 -91.000 TRP6 162 1.020 1.863 -11.239 6.593 -99.200 -91.000 TYR 163 0.840 10.300 -11.421 4.378 -99.200 -91.000 PHE 165 1.000 9.341 -6.237 2.403 -99.200 -91.000 PHE 182 1.000 17.937 -14.537 0.605 -99.200 -91.000 TYR 187 0.840 10.515 -12.367 14.292 -99.200 -91.000 PHE 189 1.000 14.717 -14.708 9.082 -99.200 -91.000 TYR 191 0.840 6.853 -17.379 16.815 -99.200 -91.000 TYR 211 0.840 5.714 2.119 18.063 -99.200 -91.000 HIS 215 0.900 4.054 -13.790 20.782 -99.200 -91.000 TYR 224 0.840 26.033 -11.577 24.120 -99.200 -91.000 HIS 240 0.900 17.213 1.772 40.342 -99.200 -91.000 TYR 253 0.840 36.145 5.146 38.279 -99.200 -91.000 TYR 276 0.840 37.460 -4.292 38.724 -99.200 -91.000 PHE 278 1.000 33.529 -3.287 32.821 -99.200 -91.000 TRP 310 1.040 26.792 10.631 16.987 -99.200 -91.000 TRP6 310 1.020 25.295 11.464 15.346 -99.200 -91.000 HIS 323 0.900 7.313 0.967 -13.807 -99.200 -91.000 TRP 325 1.040 4.621 -2.977 -14.662 -99.200 -91.000 TRP6 325 1.020 4.018 -0.911 -15.656 -99.200 -91.000 HIS 331 0.900 -1.812 -9.272 3.997 -99.200 -91.000 TRP 343 1.040 30.854 -0.185 2.085 -99.200 -91.000 TRP6 343 1.020 29.859 1.621 3.220 -99.200 -91.000 PHE 351 1.000 24.141 -3.901 3.580 -99.200 -91.000 TRP 364 1.040 0.953 -0.257 -6.865 -99.200 -91.000 TRP6 364 1.020 -1.226 0.352 -6.183 -99.200 -91.000 TYR 368 0.840 14.578 1.096 -1.918 -99.200 -91.000 PHE 380 1.000 26.505 13.308 21.180 -99.200 -91.000 TYR 382 0.840 27.510 19.650 30.950 -99.200 -91.000 TRP 393 1.040 24.408 15.940 11.696 -99.200 -91.000 TRP6 393 1.020 26.237 14.735 10.829 -99.200 -91.000 PHE 409 1.000 18.054 3.485 -3.187 -99.200 -91.000 TYR 420 0.840 14.728 9.260 -5.952 -99.200 -91.000 TYR 422 0.840 10.509 13.907 -5.532 -99.200 -91.000 PHE 425 1.000 11.090 10.189 4.079 -99.200 -91.000 PHE 432 1.000 17.343 10.974 -2.033 -99.200 -91.000 PHE 436 1.000 16.708 8.156 9.237 -99.200 -91.000 TYR 438 0.840 15.226 4.328 12.421 -99.200 -91.000 HIS 439 0.900 21.532 1.777 11.457 -99.200 -91.000 TYR 453 0.840 42.609 -4.404 23.749 -99.200 -91.000 TYR 459 0.840 39.544 9.773 35.225 -99.200 -91.000 TYR 463 0.840 37.558 -1.100 32.362 -99.200 -91.000 PHE 479 1.000 21.870 -6.738 16.034 -99.200 -91.000