============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 3 0.840 31.972 23.965 6.025 -99.200 -91.000 TYR 7 0.840 16.011 22.026 3.987 -99.200 -91.000 PHE 8 1.000 12.898 19.685 -0.389 -99.200 -91.000 TRP 28 1.040 25.888 28.239 3.715 -99.200 -91.000 TRP6 28 1.020 25.939 29.930 5.369 -99.200 -91.000 TRP 38 1.040 11.913 15.782 -3.191 -99.200 -91.000 TRP6 38 1.020 14.089 15.126 -2.538 -99.200 -91.000 TYR 49 0.840 19.681 7.403 6.258 -99.200 -91.000 PHE 55 1.000 27.446 20.749 5.469 -99.200 -91.000 TYR 63 0.840 22.752 12.127 1.692 -99.200 -91.000 HIS 71 0.900 31.756 17.001 9.478 -99.200 -91.000 TYR 79 0.840 29.610 16.918 20.061 -99.200 -91.000 TYR 103 0.840 7.379 24.106 14.342 -99.200 -91.000 TYR 108 0.840 6.001 20.291 7.027 -99.200 -91.000 TYR 111 0.840 -1.011 25.807 12.141 -99.200 -91.000 TYR 118 0.840 3.352 21.922 19.429 -99.200 -91.000 PHE 129 1.000 14.925 22.354 25.507 -99.200 -91.000 PHE 142 1.000 27.851 30.645 24.908 -99.200 -91.000 PHE 150 1.000 25.888 19.380 18.487 -99.200 -91.000 TYR 153 0.840 25.537 28.295 16.682 -99.200 -91.000 HIS 162 0.900 8.321 25.401 19.364 -99.200 -91.000 PHE 173 1.000 9.153 28.677 30.492 -99.200 -91.000 TYR 179 0.840 20.277 30.064 24.957 -99.200 -91.000 PHE 192 1.000 21.806 33.157 8.435 -99.200 -91.000 TYR 198 0.840 16.329 33.510 9.970 -99.200 -91.000