============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 7 1.000 10.443 -5.430 37.663 -99.200 -91.000 HIS 9 0.900 14.753 0.090 28.925 -99.200 -91.000 PHE 11 1.000 16.179 4.327 23.448 -99.200 -91.000 HIS 16 0.900 18.930 5.736 15.603 -99.200 -91.000 HIS 21 0.900 14.718 8.410 11.415 -99.200 -91.000 TYR 23 0.840 5.988 0.610 8.972 -99.200 -91.000 PHE 29 1.000 4.037 7.133 8.871 -99.200 -91.000 PHE 32 1.000 3.114 11.943 10.258 -99.200 -91.000 PHE 36 1.000 10.316 7.087 21.736 -99.200 -91.000 PHE 40 1.000 11.239 3.390 16.141 -99.200 -91.000 TRP 47 1.040 14.884 -3.014 25.866 -99.200 -91.000 TRP6 47 1.020 16.024 -1.166 24.886 -99.200 -91.000 TYR 56 0.840 12.329 -12.647 38.588 -99.200 -91.000 HIS 72 0.900 3.460 8.973 21.840 -99.200 -91.000 TRP 98 1.040 4.136 -6.947 32.206 -99.200 -91.000 TRP6 98 1.020 5.903 -6.972 33.769 -99.200 -91.000 HIS 103 0.900 10.125 10.956 33.502 -99.200 -91.000 HIS 114 0.900 3.170 -5.248 26.641 -99.200 -91.000 HIS 120 0.900 9.868 -25.047 24.473 -99.200 -91.000 PHE 124 1.000 5.854 -17.587 18.470 -99.200 -91.000