============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. PHE 3 1.000 43.503 31.315 17.880 -99.200 -91.000 PHE 35 1.000 23.494 42.732 19.418 -99.200 -91.000 PHE 58 1.000 37.477 50.911 50.106 -99.200 -91.000 TYR 60 0.840 42.581 61.331 51.150 -99.200 -91.000 PHE 81 1.000 42.079 46.541 36.574 -99.200 -91.000 TYR 83 0.840 34.118 40.889 37.926 -99.200 -91.000 TYR 86 0.840 30.084 47.614 30.111 -99.200 -91.000 HIS 91 0.900 27.043 44.949 27.379 -99.200 -91.000 HIS 106 0.900 47.301 51.211 52.596 -99.200 -91.000 PHE 112 1.000 34.238 45.887 48.555 -99.200 -91.000 PHE 113 1.000 31.966 42.893 52.082 -99.200 -91.000 PHE 116 1.000 33.019 50.740 47.078 -99.200 -91.000 PHE 136 1.000 35.086 29.413 46.060 -99.200 -91.000 PHE 144 1.000 25.302 54.575 42.099 -99.200 -91.000 PHE 203 1.000 33.575 34.170 22.974 -99.200 -91.000 TRP 213 1.040 19.343 26.940 23.951 -99.200 -91.000 TRP6 213 1.020 20.984 26.019 25.380 -99.200 -91.000 TYR 220 0.840 22.958 32.918 31.884 -99.200 -91.000 PHE 224 1.000 18.115 29.719 42.191 -99.200 -91.000 PHE 226 1.000 19.661 24.338 35.592 -99.200 -91.000 TRP 232 1.040 25.293 28.903 29.954 -99.200 -91.000 TRP6 232 1.020 24.982 26.762 28.978 -99.200 -91.000 TYR 243 0.840 33.309 22.426 14.465 -99.200 -91.000 PHE 255 1.000 27.004 25.467 23.303 -99.200 -91.000 PHE 256 1.000 22.392 24.117 21.047 -99.200 -91.000 TRP 262 1.040 33.020 16.976 27.024 -99.200 -91.000 TRP6 262 1.020 34.377 18.315 25.608 -99.200 -91.000 TRP 264 1.040 29.192 16.276 29.513 -99.200 -91.000 TRP6 264 1.020 30.500 18.254 29.596 -99.200 -91.000 TRP 283 1.040 39.018 21.029 38.360 -99.200 -91.000 TRP6 283 1.020 39.404 19.457 36.624 -99.200 -91.000 TYR 288 0.840 43.388 19.931 45.783 -99.200 -91.000 HIS 294 0.900 34.507 20.595 40.661 -99.200 -91.000 TYR 303 0.840 49.398 30.447 38.679 -99.200 -91.000 HIS 310 0.900 31.931 23.123 44.138 -99.200 -91.000 PHE 324 1.000 24.648 21.165 26.469 -99.200 -91.000 PHE 335 1.000 22.912 25.726 10.240 -99.200 -91.000 TRP 341 1.040 18.486 31.592 13.209 -99.200 -91.000 TRP6 341 1.020 20.026 29.984 14.007 -99.200 -91.000 PHE 345 1.000 17.716 32.234 19.993 -99.200 -91.000 PHE 350 1.000 10.577 24.314 37.059 -99.200 -91.000 PHE 351 1.000 7.150 27.654 37.502 -99.200 -91.000 PHE 352 1.000 1.969 25.580 31.488 -99.200 -91.000 TYR 354 0.840 9.790 18.468 36.283 -99.200 -91.000 PHE 356 1.000 3.125 14.618 42.332 -99.200 -91.000 TYR 357 0.840 6.044 22.150 39.321 -99.200 -91.000 TYR 363 0.840 6.577 33.236 54.228 -99.200 -91.000 HIS 371 0.900 12.499 39.233 51.065 -99.200 -91.000 TRP 374 1.040 14.895 35.037 55.648 -99.200 -91.000 TRP6 374 1.020 16.159 33.241 56.544 -99.200 -91.000 HIS 399 0.900 14.267 21.352 35.756 -99.200 -91.000 PHE 401 1.000 11.654 29.110 36.446 -99.200 -91.000 PHE 405 1.000 8.088 32.772 39.690 -99.200 -91.000 TYR 409 0.840 1.272 39.287 50.107 -99.200 -91.000 TYR 417 0