============================================================================= 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. PHE 4 1.000 22.562 7.275 -12.749 -99.200 -91.000 PHE 28 1.000 33.920 4.630 -26.416 -99.200 -91.000 PHE 30 1.000 37.739 -0.586 -26.253 -99.200 -91.000 TYR 37 0.840 31.785 0.014 -28.994 -99.200 -91.000 PHE 53 1.000 24.174 -17.698 -26.346 -99.200 -91.000 PHE 62 1.000 16.762 -1.678 -32.151 -99.200 -91.000 PHE 65 1.000 29.948 -5.501 -25.939 -99.200 -91.000 HIS 69 0.900 23.297 -16.717 -19.163 -99.200 -91.000 HIS 71 0.900 25.512 -19.122 -14.303 -99.200 -91.000 TYR 72 0.840 23.236 -18.815 -22.754 -99.200 -91.000 TRP 77 1.040 28.912 -19.363 -24.886 -99.200 -91.000 TRP6 77 1.020 29.349 -17.148 -25.601 -99.200 -91.000 PHE 80 1.000 24.436 -15.950 -30.236 -99.200 -91.000 HIS 90 0.900 27.940 -5.785 -33.031 -99.200 -91.000 PHE 102 1.000 41.147 -17.367 -17.162 -99.200 -91.000 TYR 117 0.840 34.631 -5.904 -27.201 -99.200 -91.000 TYR 126 0.840 37.188 -0.619 -4.150 -99.200 -91.000 HIS 129 0.900 42.227 -14.335 -6.073 -99.200 -91.000 PHE 130 1.000 38.381 -8.165 -10.641 -99.200 -91.000 PHE 133 1.000 40.289 -13.717 -13.124 -99.200 -91.000 PHE 141 1.000 42.271 -15.710 -23.269 -99.200 -91.000 HIS 144 0.900 40.459 -12.500 -26.758 -99.200 -91.000 TYR 188 0.840 31.909 6.971 -3.934 -99.200 -91.000 HIS 202 0.900 36.764 9.304 -19.626 -99.200 -91.000 HIS 207 0.900 37.882 3.863 -23.663 -99.200 -91.000 PHE 224 1.000 25.715 6.525 -22.730 -99.200 -91.000 PHE 230 1.000 31.684 0.752 -23.824 -99.200 -91.000 HIS 240 0.900 12.103 -5.915 -22.130 -99.200 -91.000 TYR 255 0.840 2.885 -10.544 -12.164 -99.200 -91.000 PHE 258 1.000 16.378 -8.153 -12.925 -99.200 -91.000 TYR 259 0.840 17.185 -15.195 -10.856 -99.200 -91.000 TYR 270 0.840 22.888 -20.307 -12.260 -99.200 -91.000 TYR 277 0.840 32.073 -18.299 3.458 -99.200 -91.000 PHE 289 1.000 5.836 -10.877 -21.747 -99.200 -91.000 HIS 295 0.900 7.643 -3.179 -29.526 -99.200 -91.000 TYR 310 0.840 14.693 19.052 -24.457 -99.200 -91.000 PHE 325 1.000 25.083 15.667 -14.694 -99.200 -91.000