============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 36 0.900 29.961 9.809 32.564 -99.200 -91.000 HIS 38 0.900 28.503 6.699 26.611 -99.200 -91.000 HIS 48 0.900 25.734 12.310 13.367 -99.200 -91.000 TYR 64 0.840 25.032 18.860 33.498 -99.200 -91.000 TRP 72 1.040 23.361 0.243 12.747 -99.200 -91.000 TRP6 72 1.020 21.285 1.155 13.392 -99.200 -91.000 HIS 77 0.900 15.612 -3.698 19.481 -99.200 -91.000 HIS 96 0.900 6.285 8.338 21.239 -99.200 -91.000 PHE 97 1.000 12.018 12.496 18.575 -99.200 -91.000 TRP 112 1.040 5.450 -0.777 22.475 -99.200 -91.000 TRP6 112 1.020 5.185 -1.047 24.807 -99.200 -91.000 PHE 117 1.000 13.735 -8.608 24.184 -99.200 -91.000 TRP 130 1.040 10.522 15.589 33.919 -99.200 -91.000 TRP6 130 1.020 11.953 13.922 34.787 -99.200 -91.000 HIS 148 0.900 2.115 -7.785 42.563 -99.200 -91.000 HIS 152 0.900 2.850 -2.278 44.474 -99.200 -91.000 HIS 158 0.900 13.653 4.082 40.475 -99.200 -91.000 TYR 160 0.840 10.095 11.422 48.862 -99.200 -91.000 HIS 171 0.900 -0.031 14.920 42.837 -99.200 -91.000 HIS 176 0.900 -9.777 -0.829 44.246 -99.200 -91.000 PHE 179 1.000 -24.570 -4.599 50.961 -99.200 -91.000 TYR 189 0.840 -8.566 -2.110 48.142 -99.200 -91.000 PHE 196 1.000 0.854 2.179 49.173 -99.200 -91.000 TYR 200 0.840 5.558 2.842 50.360 -99.200 -91.000 PHE 202 1.000 2.495 7.873 48.945 -99.200 -91.000 HIS 208 0.900 -5.527 11.020 42.652 -99.200 -91.000 HIS 271 0.900 15.588 -14.752 35.370 -99.200 -91.000