============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 21 0.840 19.542 -34.992 -2.880 -99.200 -91.000 TYR 26 0.840 17.310 -46.487 -1.787 -99.200 -91.000 PHE 38 1.000 21.105 -42.048 -1.875 -99.200 -91.000 HIS 54 0.900 23.165 -37.389 5.496 -99.200 -91.000 HIS 57 0.900 29.002 -33.440 7.467 -99.200 -91.000 TRP 60 1.040 29.883 -28.777 8.303 -99.200 -91.000 TRP6 60 1.020 31.627 -30.339 8.039 -99.200 -91.000 TRP 72 1.040 33.913 -36.895 5.148 -99.200 -91.000 TRP6 72 1.020 32.799 -34.900 4.611 -99.200 -91.000 HIS 76 0.900 31.746 -43.541 4.014 -99.200 -91.000 PHE 82 1.000 23.589 -38.156 -6.892 -99.200 -91.000 TRP 84 1.040 22.441 -28.188 -3.479 -99.200 -91.000 TRP6 84 1.020 20.308 -28.927 -2.820 -99.200 -91.000 PHE 109 1.000 36.431 -35.203 -11.405 -99.200 -91.000 PHE 118 1.000 25.703 -36.936 -12.055 -99.200 -91.000 TYR 122 0.840 22.692 -24.113 -2.724 -99.200 -91.000 TYR 123 0.840 16.056 -24.363 -2.006 -99.200 -91.000 TRP 125 1.040 13.082 -18.844 0.265 -99.200 -91.000 TRP6 125 1.020 11.803 -16.942 -0.298 -99.200 -91.000 TYR 132 0.840 27.482 -20.904 -5.062 -99.200 -91.000 TYR 151 0.840 28.757 -36.000 -16.593 -99.200 -91.000 PHE 152 1.000 24.113 -26.433 -13.564 -99.200 -91.000 PHE 160 1.000 10.841 -21.323 -4.356 -99.200 -91.000 TRP 168 1.040 9.074 -26.492 10.176 -99.200 -91.000 TRP6 168 1.020 10.520 -25.674 11.843 -99.200 -91.000 HIS 172 0.900 17.204 -25.119 6.072 -99.200 -91.000 TYR 178 0.840 14.632 -31.186 1.399 -99.200 -91.000 TRP 185 1.040 19.607 -33.903 -6.617 -99.200 -91.000 TRP6 185 1.020 21.953 -33.675 -6.857 -99.200 -91.000 TYR 186 0.840 14.674 -40.814 -12.766 -99.200 -91.000 TYR 188 0.840 19.480 -31.354 -15.389 -99.200 -91.000