============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 1 0.840 73.508 45.524 82.354 -99.200 -91.000 TYR 5 0.840 63.319 58.714 77.060 -99.200 -91.000 HIS 23 0.900 68.713 78.539 43.792 -99.200 -91.000 PHE 30 1.000 57.458 73.670 49.919 -99.200 -91.000 TRP 36 1.040 58.891 60.992 59.648 -99.200 -91.000 TRP6 36 1.020 61.121 60.166 59.556 -99.200 -91.000 TYR 39 0.840 55.673 50.197 58.757 -99.200 -91.000 TRP 43 1.040 56.158 50.476 75.818 -99.200 -91.000 TRP6 43 1.020 54.936 50.769 73.791 -99.200 -91.000 PHE 72 1.000 61.302 59.386 64.200 -99.200 -91.000 TYR 75 0.840 63.297 59.187 70.718 -99.200 -91.000 TYR 79 0.840 60.574 55.558 73.495 -99.200 -91.000 PHE 84 1.000 59.245 54.232 78.161 -99.200 -91.000 TRP 87 1.040 50.507 50.276 75.404 -99.200 -91.000 TRP6 87 1.020 50.174 49.783 73.111 -99.200 -91.000 HIS 96 0.900 59.466 66.839 76.083 -99.200 -91.000 TYR 116 0.840 48.455 49.499 62.020 -99.200 -91.000 TYR 138 0.840 68.963 54.906 33.794 -99.200 -91.000 PHE 140 1.000 67.398 66.805 39.248 -99.200 -91.000 HIS 159 0.900 49.157 56.129 40.398 -99.200 -91.000 HIS 161 0.900 52.996 52.366 41.746 -99.200 -91.000 TRP 169 1.040 64.385 50.702 46.472 -99.200 -91.000 TRP6 169 1.020 64.910 50.472 44.181 -99.200 -91.000 TYR 176 0.840 48.634 68.600 36.179 -99.200 -91.000 HIS 177 0.900 42.562 73.765 36.861 -99.200 -91.000 TYR 188 0.840 61.772 66.396 37.588 -99.200 -91.000 PHE 192 1.000 64.268 63.781 41.526 -99.200 -91.000 HIS 195 0.900 69.685 64.479 42.922 -99.200 -91.000 PHE 198 1.000 68.530 63.820 54.868 -99.200 -91.000 HIS 199 0.900 63.234 58.892 51.632 -99.200 -91.000 PHE 207 1.000 54.616 72.633 45.470 -99.200 -91.000 TYR 212 0.840 62.160 73.663 34.419 -99.200 -91.000 TYR 221 0.840 51.113 61.225 50.229 -99.200 -91.000 TYR 224 0.840 60.767 58.694 49.068 -99.200 -91.000 PHE 235 1.000 49.583 66.411 51.016 -99.200 -91.000 HIS 239 0.900 46.143 76.440 45.995 -99.200 -91.000 HIS 245 0.900 41.748 57.531 55.456 -99.200 -91.000