============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 1 1.000 18.894 -30.169 -0.762 -99.200 -91.000 HIS 19 0.900 1.572 -19.234 -10.736 -99.200 -91.000 HIS 51 0.900 0.865 -40.365 3.936 -99.200 -91.000 TYR 54 0.840 -1.018 -30.537 7.152 -99.200 -91.000 PHE 64 1.000 7.391 -31.195 6.989 -99.200 -91.000 PHE 72 1.000 2.087 -25.284 8.475 -99.200 -91.000 HIS 77 0.900 -11.019 -22.373 7.310 -99.200 -91.000 TYR 78 0.840 -14.404 -29.484 7.167 -99.200 -91.000 HIS 87 0.900 -2.120 -24.838 10.931 -99.200 -91.000 HIS 101 0.900 16.128 -20.603 3.880 -99.200 -91.000 TYR 104 0.840 0.849 -20.616 8.730 -99.200 -91.000 TYR 107 0.840 -7.903 -13.624 7.681 -99.200 -91.000 PHE 109 1.000 -3.860 -5.661 6.710 -99.200 -91.000 HIS 119 0.900 -8.636 -15.354 18.155 -99.200 -91.000 HIS 121 0.900 -4.410 -18.856 9.236 -99.200 -91.000 TYR 126 0.840 3.062 -14.671 18.687 -99.200 -91.000 TYR 135 0.840 9.554 -14.822 10.609 -99.200 -91.000 PHE 137 1.000 5.485 -15.956 10.384 -99.200 -91.000 TYR 143 0.840 -7.834 -18.789 -0.931 -99.200 -91.000 PHE 146 1.000 -16.512 -18.207 0.483 -99.200 -91.000 PHE 147 1.000 -15.977 -13.325 -0.904 -99.200 -91.000 HIS 191 0.900 11.037 -12.103 -0.807 -99.200 -91.000 TYR 196 0.840 6.910 -10.017 2.152 -99.200 -91.000 TRP 204 1.040 -13.751 -7.139 -4.613 -99.200 -91.000 TRP6 204 1.020 -15.603 -8.530 -4.103 -99.200 -91.000 PHE 206 1.000 -19.936 -9.442 -1.781 -99.200 -91.000 HIS 223 0.900 -24.977 -6.419 -2.147 -99.200 -91.000 PHE 228 1.000 -25.335 -14.940 10.747 -99.200 -91.000 PHE 234 1.000 -30.356 -16.562 -1.805 -99.200 -91.000 PHE 244 1.000 -19.396 -23.260 1.849 -99.200 -91.000 TYR 252 0.840 -21.746 -13.242 1.547 -99.200 -91.000