============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 2 1.000 73.456 62.558 -6.871 -99.200 -91.000 PHE 5 1.000 80.324 52.954 -10.400 -99.200 -91.000 TYR 20 0.840 73.830 44.330 -18.529 -99.200 -91.000 PHE 33 1.000 72.424 55.155 -2.370 -99.200 -91.000 TYR 48 0.840 62.954 63.647 -7.211 -99.200 -91.000 PHE 51 1.000 68.592 61.865 -8.646 -99.200 -91.000 TRP 54 1.040 72.851 62.991 -14.193 -99.200 -91.000 TRP6 54 1.020 72.745 61.194 -12.652 -99.200 -91.000 PHE 55 1.000 67.938 57.290 -12.591 -99.200 -91.000 PHE 59 1.000 67.014 53.256 -17.071 -99.200 -91.000 TYR 66 0.840 75.082 48.182 -22.126 -99.200 -91.000 PHE 71 1.000 70.146 48.176 -19.003 -99.200 -91.000 PHE 81 1.000 54.804 60.238 -0.172 -99.200 -91.000 TYR 82 0.840 59.904 65.728 -4.469 -99.200 -91.000 HIS 87 0.900 57.189 64.860 -17.148 -99.200 -91.000 TRP 88 1.040 62.104 60.149 -13.418 -99.200 -91.000 TRP6 88 1.020 62.830 57.907 -13.466 -99.200 -91.000 HIS 97 0.900 59.743 46.770 -24.448 -99.200 -91.000 PHE 107 1.000 66.319 57.474 1.280 -99.200 -91.000 HIS 112 0.900 55.202 67.786 -2.391 -99.200 -91.000 HIS 115 0.900 48.974 67.504 3.039 -99.200 -91.000 PHE 124 1.000 50.685 60.772 -3.436 -99.200 -91.000 HIS 133 0.900 50.297 46.182 -12.883 -99.200 -91.000 TYR 137 0.840 58.321 51.693 -16.278 -99.200 -91.000 HIS 138 0.900 58.435 42.167 -15.915 -99.200 -91.000 TYR 156 0.840 54.866 48.363 -2.148 -99.200 -91.000 TYR 159 0.840 48.551 47.604 -8.208 -99.200 -91.000 PHE 165 1.000 66.097 36.674 2.562 -99.200 -91.000 HIS 169 0.900 70.698 44.576 2.201 -99.200 -91.000 PHE 170 1.000 68.212 39.915 6.290 -99.200 -91.000 PHE 181 1.000 63.131 35.138 9.598 -99.200 -91.000 TRP 185 1.040 60.544 36.780 2.770 -99.200 -91.000 TRP6 185 1.020 58.736 38.197 2.307 -99.200 -91.000 PHE 188 1.000 53.804 36.596 -0.248 -99.200 -91.000 PHE 196 1.000 62.819 33.993 -2.530 -99.200 -91.000 HIS 212 0.900 68.834 22.705 5.594 -99.200 -91.000 PHE 217 1.000 66.832 29.805 -4.964 -99.200 -91.000 TYR 220 0.840 69.813 38.101 -10.100 -99.200 -91.000 PHE 226 1.000 80.856 46.746 -15.075 -99.200 -91.000