============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. HIS 5 0.900 -30.737 13.785 10.798 -99.200 -91.000 PHE 6 1.000 -25.500 8.581 11.715 -99.200 -91.000 PHE 10 1.000 -21.236 14.722 -6.601 -99.200 -91.000 PHE 13 1.000 -18.009 23.287 -5.066 -99.200 -91.000 TYR 15 0.840 -14.095 26.278 -8.240 -99.200 -91.000 PHE 16 1.000 -17.458 26.840 -16.020 -99.200 -91.000 TYR 25 0.840 -15.990 18.045 -12.657 -99.200 -91.000 TYR 29 0.840 -17.638 11.504 -4.571 -99.200 -91.000 TYR 31 0.840 -20.185 9.962 7.727 -99.200 -91.000 TYR 36 0.840 -16.346 10.518 1.691 -99.200 -91.000 PHE 39 1.000 -11.217 14.332 -11.409 -99.200 -91.000 TYR 46 0.840 -12.880 10.266 -8.461 -99.200 -91.000 TYR 59 0.840 -15.443 0.466 -6.961 -99.200 -91.000 TYR 60 0.840 -15.715 6.692 -5.541 -99.200 -91.000 TYR 64 0.840 -17.054 5.051 -9.966 -99.200 -91.000 TYR 78 0.840 -24.150 20.296 -23.039 -99.200 -91.000 TYR 80 0.840 -19.034 29.902 -19.133 -99.200 -91.000 HIS 108 0.900 -23.983 72.346 12.776 -99.200 -91.000 HIS 109 0.900 -17.946 67.644 10.992 -99.200 -91.000 PHE 119 1.000 -25.917 45.956 -7.193 -99.200 -91.000 TYR 120 0.840 -26.979 38.203 -11.471 -99.200 -91.000 TRP 128 1.040 -21.383 59.314 -2.223 -99.200 -91.000 TRP6 128 1.020 -23.467 60.446 -2.279 -99.200 -91.000 PHE 129 1.000 -18.656 62.229 -9.805 -99.200 -91.000 TRP 150 1.040 -30.715 33.597 -9.190 -99.200 -91.000 TRP6 150 1.020 -29.196 33.061 -10.922 -99.200 -91.000 PHE 152 1.000 -24.900 39.703 -6.110 -99.200 -91.000 TYR 168 0.840 -22.425 67.269 -0.948 -99.200 -91.000 HIS 171 0.900 -20.866 58.410 -12.466 -99.200 -91.000 HIS 174 0.900 -24.964 46.390 -12.861 -99.200 -91.000 TRP 185 1.040 -29.572 65.608 -0.256 -99.200 -91.000 TRP6 185 1.020 -28.283 67.173 0.971 -99.200 -91.000