============================================================================= 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. HIS 2 0.900 -26.676 -5.819 -7.354 -99.200 -91.000 PHE 17 1.000 -6.331 -24.475 -8.309 -99.200 -91.000 TYR 22 0.840 -0.542 -25.910 -8.773 -99.200 -91.000 PHE 42 1.000 -2.559 -13.972 -20.586 -99.200 -91.000 HIS 43 0.900 -8.030 -8.797 -18.585 -99.200 -91.000 TYR 44 0.840 -10.633 -10.245 -14.335 -99.200 -91.000 PHE 45 1.000 -7.420 -14.683 -10.854 -99.200 -91.000 TYR 52 0.840 -3.077 -23.648 -4.513 -99.200 -91.000 TYR 53 0.840 0.093 -15.447 -3.654 -99.200 -91.000 TYR 56 0.840 -3.887 -21.974 0.907 -99.200 -91.000 PHE 66 1.000 -6.838 -15.526 15.839 -99.200 -91.000 PHE 69 1.000 -12.338 -17.211 19.811 -99.200 -91.000 PHE 78 1.000 -3.473 -25.116 28.570 -99.200 -91.000 PHE 80 1.000 -8.013 -17.121 21.993 -99.200 -91.000 TRP 83 1.040 -9.338 -20.165 16.620 -99.200 -91.000 TRP6 83 1.020 -11.015 -18.969 15.465 -99.200 -91.000 TYR 90 0.840 -15.169 -20.536 7.979 -99.200 -91.000 HIS 94 0.900 -18.239 -21.277 5.728 -99.200 -91.000 PHE 100 1.000 -7.963 -23.187 -2.214 -99.200 -91.000 PHE 126 1.000 -3.732 -19.263 18.194 -99.200 -91.000 PHE 127 1.000 5.082 -18.272 17.615 -99.200 -91.000 PHE 129 1.000 -4.279 -14.410 23.004 -99.200 -91.000 PHE 151 1.000 2.932 -31.696 23.672 -99.200 -91.000 TRP 153 1.040 2.808 -31.430 16.603 -99.200 -91.000 TRP6 153 1.020 3.780 -32.967 18.077 -99.200 -91.000 PHE 154 1.000 -4.524 -30.361 21.158 -99.200 -91.000 PHE 155 1.000 -4.906 -23.436 16.340 -99.200 -91.000 PHE 158 1.000 -8.869 -31.283 16.931 -99.200 -91.000 TYR 162 0.840 -10.889 -29.940 11.860 -99.200 -91.000 TYR 166 0.840 -14.431 -36.075 10.467 -99.200 -91.000