============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 8 1.000 46.072 5.169 19.610 -99.200 -91.000 TYR 9 0.840 46.775 1.676 29.686 -99.200 -91.000 TYR 29 0.840 50.764 15.402 27.715 -99.200 -91.000 HIS 35 0.900 48.842 6.396 28.098 -99.200 -91.000 TYR 45 0.840 41.871 29.727 18.205 -99.200 -91.000 TYR 57 0.840 45.331 25.490 23.875 -99.200 -91.000 HIS 90 0.900 42.277 13.012 16.407 -99.200 -91.000 PHE 95 1.000 32.989 10.159 2.746 -99.200 -91.000 TYR 158 0.840 28.247 5.560 15.061 -99.200 -91.000 PHE 159 1.000 28.660 14.598 16.741 -99.200 -91.000 HIS 165 0.900 19.967 6.227 18.455 -99.200 -91.000 PHE 169 1.000 30.035 2.252 19.760 -99.200 -91.000 HIS 179 0.900 35.133 -4.939 6.589 -99.200 -91.000 PHE 181 1.000 39.474 3.595 8.794 -99.200 -91.000 TRP 182 1.040 43.484 2.302 13.985 -99.200 -91.000 TRP6 182 1.020 45.283 3.792 13.862 -99.200 -91.000 TYR 194 0.840 35.713 5.537 28.917 -99.200 -91.000 HIS 212 0.900 36.733 12.541 19.541 -99.200 -91.000 TYR 214 0.840 34.221 16.475 22.112 -99.200 -91.000