============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 27 1.000 24.036 9.912 0.070 -99.200 -91.000 PHE 29 1.000 22.762 8.036 5.921 -99.200 -91.000 TYR 32 0.840 21.379 14.527 0.566 -99.200 -91.000 TRP 35 1.040 12.049 10.268 1.590 -99.200 -91.000 TRP6 35 1.020 9.794 10.827 2.146 -99.200 -91.000 TRP 36 1.040 13.541 2.386 5.516 -99.200 -91.000 TRP6 36 1.020 14.897 0.763 4.401 -99.200 -91.000 TRP 47 1.040 6.044 7.550 3.719 -99.200 -91.000 TRP6 47 1.020 4.276 8.131 5.176 -99.200 -91.000 TYR 60 0.840 7.528 5.126 11.989 -99.200 -91.000 PHE 68 1.000 7.031 -2.527 9.070 -99.200 -91.000 TYR 80 0.840 20.850 0.600 11.108 -99.200 -91.000 TYR 94 0.840 9.222 -3.758 2.919 -99.200 -91.000 TYR 95 0.840 12.569 -0.684 -4.678 -99.200 -91.000 TYR 103 0.840 11.449 24.054 1.338 -99.200 -91.000 PHE 109 1.000 10.342 9.973 -1.873 -99.200 -91.000 TRP 112 1.040 14.338 5.803 -5.847 -99.200 -91.000 TRP6 112 1.020 12.313 4.950 -4.981 -99.200 -91.000 PHE 131 1.000 18.240 -30.798 -11.401 -99.200 -91.000 TYR 149 0.840 13.780 -20.414 -6.844 -99.200 -91.000 PHE 150 1.000 8.113 -19.922 -0.182 -99.200 -91.000 TRP 158 1.040 24.574 -17.845 -17.656 -99.200 -91.000 TRP6 158 1.020 24.788 -20.182 -17.961 -99.200 -91.000 HIS 168 0.900 17.332 -13.466 -23.755 -99.200 -91.000 PHE 170 1.000 13.410 -17.700 -20.505 -99.200 -91.000 TYR 180 0.840 8.140 -18.681 -6.303 -99.200 -91.000 TYR 198 0.840 30.094 -20.815 -22.930 -99.200 -91.000 HIS 204 0.900 16.642 -19.530 -2.246 -99.200 -91.000