============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 12 0.840 -24.549 39.170 44.964 -99.200 -91.000 TYR 13 0.840 -24.665 35.000 40.063 -99.200 -91.000 TYR 16 0.840 -30.347 38.046 43.272 -99.200 -91.000 TRP 23 1.040 -40.536 37.363 45.197 -99.200 -91.000 TRP6 23 1.020 -39.243 39.334 45.053 -99.200 -91.000 PHE 30 1.000 -38.158 37.773 32.760 -99.200 -91.000 TYR 31 0.840 -30.316 36.260 33.743 -99.200 -91.000 PHE 36 1.000 -27.621 50.389 26.494 -99.200 -91.000 HIS 40 0.900 -32.289 38.020 38.052 -99.200 -91.000 HIS 56 0.900 -31.348 47.061 42.390 -99.200 -91.000 PHE 60 1.000 -29.923 47.595 50.806 -99.200 -91.000 TRP 64 1.040 -37.948 45.885 44.893 -99.200 -91.000 TRP6 64 1.020 -38.433 48.014 45.775 -99.200 -91.000 TYR 65 0.840 -37.081 41.000 52.774 -99.200 -91.000 TRP 71 1.040 -46.419 47.766 46.295 -99.200 -91.000 TRP6 71 1.020 -44.186 48.463 46.526 -99.200 -91.000 TYR 75 0.840 -50.526 47.966 39.809 -99.200 -91.000 TYR 78 0.840 -42.798 42.399 33.885 -99.200 -91.000 TYR 101 0.840 -26.674 53.814 33.851 -99.200 -91.000 TRP 104 1.040 -30.636 48.404 31.127 -99.200 -91.000 TRP6 104 1.020 -31.422 49.028 33.267 -99.200 -91.000 PHE 109 1.000 -40.563 50.635 30.806 -99.200 -91.000 HIS 118 0.900 -49.498 52.598 37.440 -99.200 -91.000 HIS 127 0.900 -30.546 53.689 36.967 -99.200 -91.000 PHE 130 1.000 -38.132 54.969 31.102 -99.200 -91.000 PHE 149 1.000 -36.429 65.612 44.168 -99.200 -91.000 PHE 152 1.000 -25.455 60.260 47.165 -99.200 -91.000 HIS 153 0.900 -23.388 65.236 55.700 -99.200 -91.000 HIS 154 0.900 -18.094 65.820 51.120 -99.200 -91.000 PHE 156 1.000 -23.682 57.168 49.903 -99.200 -91.000 TYR 157 0.840 -19.913 60.444 47.877 -99.200 -91.000 TYR 159 0.840 -20.918 56.389 58.879 -99.200 -91.000 PHE 172 1.000 -23.758 52.073 53.913 -99.200 -91.000 TRP 175 1.040 -24.485 57.274 58.965 -99.200 -91.000 TRP6 175 1.020 -24.662 57.316 56.614 -99.200 -91.000 HIS 182 0.900 -34.702 36.824 57.249 -99.200 -91.000 PHE 185 1.000 -31.621 42.887 51.480 -99.200 -91.000 PHE 189 1.000 -24.990 46.135 52.071 -99.200 -91.000 TRP 194 1.040 -18.451 38.942 42.517 -99.200 -91.000 TRP6 194 1.020 -20.468 39.138 41.296 -99.200 -91.000 PHE 208 1.000 -28.389 58.032 36.637 -99.200 -91.000 TYR 210 0.840 -27.942 65.728 36.622 -99.200 -91.000 PHE 212 1.000 -32.740 64.320 37.544 -99.200 -91.000 HIS 231 0.900 -35.987 58.964 62.673 -99.200 -91.000 TYR 235 0.840 -31.551 63.143 49.982 -99.200 -91.000 HIS 238 0.900 -38.138 67.483 57.666 -99.200 -91.000 HIS 242 0.900 -38.525 74.948 50.220 -99.200 -91.000 PHE 247 1.000 -37.230 74.862 41.773 -99.200 -91.000 HIS 261 0.900 -31.313 56.110 51.270 -99.200 -91.000 TYR 269 0.840 -47.684 55.944 55.428 -99.200 -91.000 PHE 276 1.000 -48.891 59.007 42.885 -99.200 -91.000 PHE 277 1.000 -47.809 53.451 41.441 -99.200 -91.000