============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TRP 20 1.040 47.783 40.940 10.433 -99.200 -91.000 TRP6 20 1.020 47.529 41.786 8.238 -99.200 -91.000 TYR 31 0.840 55.300 54.685 15.380 -99.200 -91.000 TYR 38 0.840 41.574 40.125 15.311 -99.200 -91.000 PHE 39 1.000 34.984 40.535 11.226 -99.200 -91.000 TYR 64 0.840 32.472 49.057 10.058 -99.200 -91.000 TYR 83 0.840 47.243 24.214 10.443 -99.200 -91.000 TRP 89 1.040 36.618 24.446 6.735 -99.200 -91.000 TRP6 89 1.020 34.272 24.157 6.879 -99.200 -91.000 TYR 99 0.840 29.019 39.514 1.252 -99.200 -91.000 PHE 105 1.000 42.053 46.145 -10.228 -99.200 -91.000 TRP 121 1.040 58.696 46.641 -18.036 -99.200 -91.000 TRP6 121 1.020 58.160 44.529 -17.139 -99.200 -91.000 HIS 130 0.900 35.963 38.559 -16.076 -99.200 -91.000 TYR 132 0.840 32.021 33.537 -13.515 -99.200 -91.000 TYR 136 0.840 41.391 30.052 -14.958 -99.200 -91.000 HIS 164 0.900 36.498 18.385 -36.023 -99.200 -91.000 PHE 166 1.000 36.535 15.525 -32.304 -99.200 -91.000 HIS 176 0.900 29.918 30.013 -17.477 -99.200 -91.000 PHE 185 1.000 38.401 42.717 -16.019 -99.200 -91.000 TYR 192 0.840 44.605 49.728 -9.057 -99.200 -91.000 TRP 201 1.040 48.002 50.305 -22.129 -99.200 -91.000 TRP6 201 1.020 49.984 49.497 -23.126 -99.200 -91.000 PHE 202 1.000 39.469 43.887 -21.944 -99.200 -91.000 TYR 212 0.840 33.728 33.396 -24.442 -99.200 -91.000 HIS 213 0.900 39.153 36.411 -26.767 -99.200 -91.000 TYR 215 0.840 28.569 39.431 -23.921 -99.200 -91.000 PHE 216 1.000 35.291 38.505 -21.680 -99.200 -91.000 PHE 220 1.000 37.798 47.332 -19.504 -99.200 -91.000 TYR 238 0.840 39.293 50.979 -22.987 -99.200 -91.000 TYR 240 0.840 39.976 46.129 -27.821 -99.200 -91.000 TRP 259 1.040 47.555 43.889 -20.331 -99.200 -91.000 TRP6 259 1.020 49.352 42.382 -20.723 -99.200 -91.000 TYR 264 0.840 45.268 30.173 -20.359 -99.200 -91.000 PHE 277 1.000 57.545 45.892 -12.659 -99.200 -91.000 TYR 294 0.840 39.823 51.248 -3.390 -99.200 -91.000 PHE 296 1.000 44.528 49.162 -0.007 -99.200 -91.000 HIS 300 0.900 53.657 37.524 1.749 -99.200 -91.000 HIS 306 0.900 61.280 32.040 5.189 -99.200 -91.000 TYR 307 0.840 53.687 28.820 11.830 -99.200 -91.000 TYR 308 0.840 55.611 23.730 8.330 -99.200 -91.000 TYR 310 0.840 57.396 31.905 14.973 -99.200 -91.000 PHE 325 1.000 55.535 49.816 0.612 -99.200 -91.000 TRP 327 1.040 48.847 46.085 8.536 -99.200 -91.000 TRP6 327 1.020 47.327 46.804 10.199 -99.200 -91.000 PHE 346 1.000 52.203 55.898 10.498 -99.200 -91.000 PHE 370 1.000 65.013 38.823 -7.558 -99.200 -91.000 TYR 378 0.840 70.602 36.037 4.448 -99.200 -91.000 PHE 384 1.000 63.357 45.149 5.696 -99.200 -91.000