============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 2 0.840 41.144 42.347 83.641 -99.200 -91.000 PHE 10 1.000 33.974 36.518 75.985 -99.200 -91.000 PHE 12 1.000 36.873 30.867 71.436 -99.200 -91.000 TRP 15 1.040 36.355 28.607 61.115 -99.200 -91.000 TRP6 15 1.020 34.074 28.831 61.743 -99.200 -91.000 TRP 19 1.040 44.385 27.125 59.771 -99.200 -91.000 TRP6 19 1.020 46.367 28.403 60.132 -99.200 -91.000 PHE 25 1.000 53.317 31.813 49.272 -99.200 -91.000 HIS 48 0.900 26.394 30.954 75.529 -99.200 -91.000 PHE 52 1.000 27.214 22.938 62.580 -99.200 -91.000 HIS 53 0.900 32.942 27.077 57.871 -99.200 -91.000 PHE 60 1.000 32.134 16.908 49.524 -99.200 -91.000 HIS 70 0.900 31.706 11.968 61.684 -99.200 -91.000 PHE 74 1.000 28.907 19.670 67.650 -99.200 -91.000 PHE 93 1.000 34.991 28.278 52.976 -99.200 -91.000 HIS 95 0.900 34.501 19.109 45.883 -99.200 -91.000 PHE 98 1.000 30.659 24.507 46.480 -99.200 -91.000 PHE 103 1.000 24.051 30.693 48.193 -99.200 -91.000 TYR 113 0.840 26.970 20.125 45.626 -99.200 -91.000 TYR 133 0.840 23.060 28.160 57.558 -99.200 -91.000 TRP 136 1.040 33.724 34.862 53.492 -99.200 -91.000 TRP6 136 1.020 35.367 33.189 53.068 -99.200 -91.000 PHE 161 1.000 22.287 35.402 50.632 -99.200 -91.000 TYR 167 0.840 14.049 24.505 53.591 -99.200 -91.000 TYR 173 0.840 13.417 24.893 59.712 -99.200 -91.000 PHE 177 1.000 18.788 32.476 55.724 -99.200 -91.000 HIS 197 0.900 30.387 48.070 48.710 -99.200 -91.000 PHE 201 1.000 22.256 40.824 47.888 -99.200 -91.000 TYR 211 0.840 17.317 37.478 53.656 -99.200 -91.000 HIS 219 0.900 36.771 38.773 56.628 -99.200 -91.000 PHE 227 1.000 34.468 45.366 62.828 -99.200 -91.000 HIS 229 0.900 34.048 56.292 62.042 -99.200 -91.000 TRP 236 1.040 21.258 55.635 61.926 -99.200 -91.000 TRP6 236 1.020 20.827 55.871 59.619 -99.200 -91.000 PHE 241 1.000 19.466 40.304 61.598 -99.200 -91.000 HIS 242 0.900 27.530 35.344 64.979 -99.200 -91.000 TYR 253 0.840 48.903 37.480 55.840 -99.200 -91.000 PHE 259 1.000 38.385 41.931 70.315 -99.200 -91.000 PHE 268 1.000 38.786 52.526 74.896 -99.200 -91.000 TRP 269 1.040 38.289 54.621 70.217 -99.200 -91.000 TRP6 269 1.020 37.263 55.999 71.858 -99.200 -91.000 TYR 279 0.840 26.216 41.802 69.412 -99.200 -91.000 HIS 284 0.900 31.991 33.004 65.592 -99.200 -91.000 PHE 285 1.000 36.519 35.987 70.988 -99.200 -91.000 PHE 287 1.000 41.717 32.083 67.916 -99.200 -91.000 PHE 295 1.000 46.767 19.928 68.712 -99.200 -91.000 TRP 299 1.040 43.848 23.713 73.695 -99.200 -91.000 TRP6 299 1.020 41.826 23.800 72.465 -99.200 -91.000 TYR 309 0.840 33.907 41.887 74.377 -99.200 -91.000 PHE 319 1.000 36.325 57.878 77.177 -99.200 -91.000 PHE 356 1.000 23.074 82.665 54.259 -99.200 -91.000 PHE 359 1.000 26.739 80.705 62.179 -99.200 -91.000 PHE 371 1.000 36.200 66.999 68.202 -99.200 -91.000 HIS 381 0.900 39.257 56.485 82.268 -99.200 -91.000