============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 8 1.000 -24.866 -27.355 23.862 -99.200 -91.000 HIS 12 0.900 -25.169 -32.213 22.086 -99.200 -91.000 TYR 25 0.840 -20.296 -40.929 29.697 -99.200 -91.000 PHE 46 1.000 -23.994 -37.263 26.525 -99.200 -91.000 HIS 48 0.900 -17.399 -35.830 29.795 -99.200 -91.000 TYR 73 0.840 -20.061 -17.850 17.287 -99.200 -91.000 TYR 76 0.840 -10.793 -17.917 20.668 -99.200 -91.000 TYR 92 0.840 -36.610 -47.620 18.525 -99.200 -91.000 TYR 97 0.840 -25.429 -44.777 20.998 -99.200 -91.000 HIS 105 0.900 -9.096 -26.451 19.332 -99.200 -91.000 TYR 115 0.840 -25.044 -15.677 19.180 -99.200 -91.000 HIS 119 0.900 -29.282 -26.873 16.926 -99.200 -91.000 PHE 120 1.000 -20.334 -31.168 20.082 -99.200 -91.000