============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 6 1.040 15.947 -7.129 7.256 -99.200 -91.000 TRP6 6 1.020 14.458 -7.251 9.094 -99.200 -91.000 PHE 9 1.000 3.964 0.362 2.922 -99.200 -91.000 TYR 14 0.840 6.717 -4.985 6.526 -99.200 -91.000 TYR 16 0.840 9.021 -16.364 3.658 -99.200 -91.000 TRP 23 1.040 2.424 -15.955 17.008 -99.200 -91.000 TRP6 23 1.020 2.695 -14.870 19.082 -99.200 -91.000 HIS 51 0.900 5.946 -8.046 -4.645 -99.200 -91.000 PHE 62 1.000 -1.662 -25.878 6.791 -99.200 -91.000 TRP 65 1.040 3.875 -19.096 13.011 -99.200 -91.000 TRP6 65 1.020 1.625 -19.521 13.572 -99.200 -91.000 TRP 75 1.040 -8.997 -13.115 16.773 -99.200 -91.000 TRP6 75 1.020 -7.031 -14.369 16.415 -99.200 -91.000 TRP 77 1.040 -2.567 -5.587 15.095 -99.200 -91.000 TRP6 77 1.020 -2.016 -7.304 13.536 -99.200 -91.000 PHE 84 1.000 -6.080 -8.902 14.752 -99.200 -91.000 TYR 86 0.840 -6.985 -3.865 6.586 -99.200 -91.000 TRP 89 1.040 -10.336 -11.771 10.749 -99.200 -91.000 TRP6 89 1.020 -8.878 -13.278 11.825 -99.200 -91.000 HIS 104 0.900 -1.629 -19.419 8.937 -99.200 -91.000 TYR 105 0.840 -0.279 -12.443 5.180 -99.200 -91.000 TRP 107 1.040 -4.953 -21.523 0.467 -99.200 -91.000 TRP6 107 1.020 -3.951 -22.327 -1.540 -99.200 -91.000 TRP 110 1.040 -4.557 -10.639 8.403 -99.200 -91.000 TRP6 110 1.020 -5.586 -9.055 9.812 -99.200 -91.000 HIS 116 0.900 3.409 -24.891 20.972 -99.200 -91.000 TYR 117 0.840 0.770 -26.026 10.621 -99.200 -91.000 TYR 121 0.840 10.869 -16.538 11.427 -99.200 -91.000