============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 8 1.000 -24.581 -11.344 -25.695 -99.200 -91.000 PHE 14 1.000 -18.695 -1.914 -25.744 -99.200 -91.000 HIS 22 0.900 -35.950 -2.100 -21.351 -99.200 -91.000 TYR 24 0.840 -37.961 -11.313 -28.002 -99.200 -91.000 HIS 28 0.900 -42.732 -11.540 -27.126 -99.200 -91.000 TYR 36 0.840 -27.083 -19.220 -22.854 -99.200 -91.000 PHE 56 1.000 -29.397 -10.278 -32.277 -99.200 -91.000 HIS 68 0.900 -25.590 -17.247 -41.936 -99.200 -91.000 HIS 81 0.900 -2.600 10.016 -27.430 -99.200 -91.000 HIS 84 0.900 -1.535 8.547 -35.888 -99.200 -91.000 HIS 95 0.900 -10.264 8.309 -48.570 -99.200 -91.000 TYR 107 0.840 -11.342 -5.292 -32.768 -99.200 -91.000 PHE 115 1.000 -14.688 -6.042 -36.455 -99.200 -91.000 HIS 118 0.900 -15.455 -6.855 -44.269 -99.200 -91.000 PHE 123 1.000 -6.145 -2.046 -44.146 -99.200 -91.000 HIS 126 0.900 -10.569 -1.322 -52.261 -99.200 -91.000 PHE 165 1.000 -6.828 13.218 -21.170 -99.200 -91.000 TYR 169 0.840 -14.046 5.937 -30.784 -99.200 -91.000 TYR 182 0.840 -24.351 -11.327 -42.377 -99.200 -91.000 TYR 193 0.840 -42.344 -17.827 -27.940 -99.200 -91.000 TYR 195 0.840 -41.240 -15.927 -38.901 -99.200 -91.000 TYR 198 0.840 -36.020 -12.995 -38.028 -99.200 -91.000 TYR 205 0.840 -31.581 -2.538 -37.082 -99.200 -91.000 TYR 207 0.840 -38.973 2.898 -31.715 -99.200 -91.000 PHE 210 1.000 -29.822 2.441 -38.324 -99.200 -91.000 TRP 216 1.040 -35.557 -10.061 -41.892 -99.200 -91.000 TRP6 216 1.020 -34.700 -9.560 -39.753 -99.200 -91.000