============================================================================= 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. PHE 19 1.000 -24.129 -27.304 29.200 -99.200 -91.000 TYR 24 0.840 -27.240 -28.122 35.968 -99.200 -91.000 PHE 26 1.000 -29.384 -22.425 40.587 -99.200 -91.000 HIS 27 0.900 -27.182 -24.662 51.021 -99.200 -91.000 TYR 31 0.840 -34.690 -15.785 43.873 -99.200 -91.000 PHE 32 1.000 -32.026 -5.503 46.488 -99.200 -91.000 TYR 36 0.840 -37.626 -0.799 36.750 -99.200 -91.000 PHE 60 1.000 -31.511 -4.714 39.256 -99.200 -91.000 HIS 66 0.900 -24.590 -16.337 49.067 -99.200 -91.000 TYR 74 0.840 -23.873 -18.751 39.199 -99.200 -91.000 PHE 85 1.000 -48.281 -18.673 25.430 -99.200 -91.000 TYR 92 0.840 -39.258 -11.668 27.280 -99.200 -91.000 HIS 94 0.900 -35.289 -6.699 28.337 -99.200 -91.000 TYR 97 0.840 -26.572 -8.138 31.061 -99.200 -91.000 TYR 113 0.840 -32.975 -19.848 32.872 -99.200 -91.000 TYR 119 0.840 -17.016 -9.204 34.992 -99.200 -91.000 PHE 123 1.000 -21.720 -4.327 48.731 -99.200 -91.000 TYR 135 0.840 -21.486 -6.183 28.884 -99.200 -91.000 TYR 147 0.840 -29.535 -6.935 56.603 -99.200 -91.000 HIS 149 0.900 -35.369 -0.604 57.070 -99.200 -91.000 TYR 166 0.840 -44.865 -17.257 30.460 -99.200 -91.000 TYR 174 0.840 -23.945 -26.129 11.653 -99.200 -91.000 HIS 194 0.900 -33.511 -21.928 53.503 -99.200 -91.000 TRP 197 1.040 -35.956 -10.913 56.014 -99.200 -91.000 TRP6 197 1.020 -36.659 -10.259 58.178 -99.200 -91.000 PHE 206 1.000 -25.172 5.294 36.840 -99.200 -91.000 HIS 208 0.900 -22.075 -1.102 28.612 -99.200 -91.000 HIS 226 0.900 -32.081 -9.902 51.498 -99.200 -91.000 TYR 240 0.840 -46.590 -18.560 19.016 -99.200 -91.000 TYR 242 0.840 -42.220 -16.440 18.380 -99.200 -91.000