============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 6 1.000 21.324 22.657 19.457 -99.200 -91.000 TYR 7 0.840 16.707 23.124 21.019 -99.200 -91.000 HIS 40 0.900 11.164 11.169 15.595 -99.200 -91.000 PHE 41 1.000 8.111 4.603 10.381 -99.200 -91.000 HIS 42 0.900 4.829 7.375 7.833 -99.200 -91.000 PHE 45 1.000 12.369 4.188 8.316 -99.200 -91.000 PHE 61 1.000 8.830 22.148 -1.519 -99.200 -91.000 PHE 68 1.000 1.231 6.011 -4.050 -99.200 -91.000 PHE 77 1.000 0.665 16.323 8.956 -99.200 -91.000 TRP 117 1.040 14.777 8.594 24.856 -99.200 -91.000 TRP6 117 1.020 12.605 7.843 24.284 -99.200 -91.000 PHE 130 1.000 13.885 15.985 0.364 -99.200 -91.000 PHE 142 1.000 1.919 -3.246 -0.159 -99.200 -91.000 PHE 143 1.000 7.448 -2.584 1.616 -99.200 -91.000 PHE 152 1.000 12.658 -0.345 9.995 -99.200 -91.000 HIS 170 0.900 2.789 -0.790 13.538 -99.200 -91.000 PHE 172 1.000 1.318 4.593 21.007 -99.200 -91.000 PHE 179 1.000 -3.410 0.954 4.864 -99.200 -91.000 TYR 185 0.840 -12.984 -10.747 4.358 -99.200 -91.000 PHE 187 1.000 -1.089 -12.914 3.011 -99.200 -91.000 TYR 201 0.840 -6.764 -10.037 16.296 -99.200 -91.000 PHE 221 1.000 -1.188 -0.762 13.592 -99.200 -91.000 PHE 229 1.000 5.877 2.580 23.477 -99.200 -91.000 TYR 233 0.840 4.069 -5.103 17.606 -99.200 -91.000 TYR 234 0.840 7.697 -6.263 20.635 -99.200 -91.000 PHE 251 1.000 6.464 -15.960 17.095 -99.200 -91.000 PHE 266 1.000 12.895 -6.296 21.747 -99.200 -91.000 PHE 273 1.000 8.835 -2.400 23.371 -99.200 -91.000 PHE 274 1.000 8.589 0.374 28.342 -99.200 -91.000 PHE 277 1.000 9.918 2.852 21.079 -99.200 -91.000