============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 34 0.840 15.651 42.303 42.395 -99.200 -91.000 PHE 37 1.000 17.151 36.665 40.646 -99.200 -91.000 TYR 38 0.840 12.148 40.010 46.320 -99.200 -91.000 PHE 39 1.000 7.128 39.115 44.475 -99.200 -91.000 HIS 46 0.900 2.730 31.709 47.055 -99.200 -91.000 PHE 54 1.000 10.147 43.967 44.379 -99.200 -91.000 TYR 67 0.840 26.894 47.530 39.228 -99.200 -91.000 TYR 69 0.840 28.584 38.196 48.886 -99.200 -91.000 TYR 84 0.840 8.862 39.699 56.519 -99.200 -91.000 TRP 115 1.040 46.844 61.398 48.933 -99.200 -91.000 TRP6 115 1.020 47.654 59.972 50.624 -99.200 -91.000 HIS 124 0.900 44.023 60.782 62.171 -99.200 -91.000 TYR 140 0.840 42.988 43.207 62.814 -99.200 -91.000 TYR 151 0.840 52.589 54.046 62.771 -99.200 -91.000 TYR 155 0.840 38.864 58.127 64.584 -99.200 -91.000 TYR 158 0.840 31.239 47.181 62.765 -99.200 -91.000 PHE 163 1.000 22.571 58.851 60.523 -99.200 -91.000 PHE 196 1.000 17.139 38.660 48.617 -99.200 -91.000 HIS 203 0.900 5.456 42.130 58.060 -99.200 -91.000 PHE 213 1.000 17.808 49.959 51.858 -99.200 -91.000 PHE 235 1.000 33.417 68.118 45.289 -99.200 -91.000 TRP 239 1.040 28.302 75.241 59.833 -99.200 -91.000 TRP6 239 1.020 26.212 74.236 59.466 -99.200 -91.000 HIS 255 0.900 14.251 47.384 65.418 -99.200 -91.000 PHE 263 1.000 13.795 50.148 54.841 -99.200 -91.000 HIS 264 0.900 10.654 47.060 60.982 -99.200 -91.000 PHE 285 1.000 24.590 76.385 51.768 -99.200 -91.000 TYR 293 0.840 18.340 77.677 50.033 -99.200 -91.000 PHE 297 1.000 29.331 71.929 44.976 -99.200 -91.000 TRP 298 1.040 21.077 71.543 45.815 -99.200 -91.000 TRP6 298 1.020 19.667 70.870 47.595 -99.200 -91.000 HIS 301 0.900 20.991 58.016 51.071 -99.200 -91.000 TYR 332 0.840 27.027 53.107 40.573 -99.200 -91.000 PHE 342 1.000 29.545 54.304 44.513 -99.200 -91.000 TRP 365 1.040 30.157 79.427 48.622 -99.200 -91.000 TRP6 365 1.020 31.486 78.825 50.474 -99.200 -91.000 PHE 369 1.000 20.900 69.128 52.758 -99.200 -91.000 PHE 371 1.000 18.119 63.870 52.829 -99.200 -91.000