============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 16.293 34.100 111.174 -99.200 -91.000 TRP6 14 1.020 15.012 32.990 112.837 -99.200 -91.000 PHE 19 1.000 19.940 36.183 91.741 -99.200 -91.000 TRP 37 1.040 9.645 47.794 107.174 -99.200 -91.000 TRP6 37 1.020 10.827 49.595 106.195 -99.200 -91.000 HIS 43 0.900 29.680 45.163 103.061 -99.200 -91.000 TYR 47 0.840 33.404 49.478 99.748 -99.200 -91.000 TRP 49 1.040 35.206 46.537 96.357 -99.200 -91.000 TRP6 49 1.020 34.395 44.918 97.882 -99.200 -91.000 PHE 53 1.000 24.085 46.667 93.158 -99.200 -91.000 HIS 65 0.900 18.717 23.731 102.389 -99.200 -91.000 TYR 70 0.840 12.214 30.054 90.811 -99.200 -91.000 TYR 84 0.840 13.530 53.781 103.584 -99.200 -91.000 HIS 86 0.900 23.103 55.223 110.710 -99.200 -91.000 TYR 89 0.840 28.036 52.387 104.348 -99.200 -91.000 TRP 91 1.040 30.649 55.683 101.307 -99.200 -91.000 TRP6 91 1.020 32.297 56.222 99.694 -99.200 -91.000 PHE 110 1.000 5.609 36.698 108.318 -99.200 -91.000 TYR 113 0.840 9.428 25.202 103.801 -99.200 -91.000 HIS 115 0.900 7.828 33.144 112.170 -99.200 -91.000 TYR 132 0.840 26.635 34.582 127.675 -99.200 -91.000 TRP 139 1.040 22.450 30.396 100.404 -99.200 -91.000 TRP6 139 1.020 20.817 31.935 101.169 -99.200 -91.000 TRP 146 1.040 44.263 31.693 98.553 -99.200 -91.000 TRP6 146 1.020 44.890 29.486 97.964 -99.200 -91.000 PHE 184 1.000 28.431 41.366 117.435 -99.200 -91.000 TYR 188 0.840 35.289 28.636 118.202 -99.200 -91.000 PHE 207 1.000 27.036 36.588 116.478 -99.200 -91.000 PHE 213 1.000 12.538 36.607 129.794 -99.200 -91.000 TRP 217 1.040 16.325 30.800 117.203 -99.200 -91.000 TRP6 217 1.020 18.610 30.201 117.226 -99.200 -91.000 TYR 218 0.840 15.192 38.309 121.316 -99.200 -91.000 TRP 225 1.040 34.631 45.551 109.503 -99.200 -91.000 TRP6 225 1.020 36.840 45.368 110.365 -99.200 -91.000 TYR 235 0.840 39.691 37.107 117.171 -99.200 -91.000 PHE 237 1.000 36.440 43.413 113.885 -99.200 -91.000 TYR 238 0.840 29.872 38.746 112.841 -99.200 -91.000 HIS 240 0.900 25.945 46.341 119.732 -99.200 -91.000 PHE 242 1.000 19.829 48.089 122.494 -99.200 -91.000 TRP 247 1.040 18.788 54.828 110.397 -99.200 -91.000 TRP6 247 1.020 18.916 52.815 109.158 -99.200 -91.000 PHE 255 1.000 10.780 57.151 105.225 -99.200 -91.000