============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. PHE 8 1.000 60.627 26.927 19.254 -99.200 -91.000 HIS 10 0.900 66.399 33.149 25.810 -99.200 -91.000 PHE 21 1.000 77.570 19.500 27.135 -99.200 -91.000 TYR 26 0.840 81.810 16.929 29.278 -99.200 -91.000 PHE 44 1.000 73.033 29.415 32.287 -99.200 -91.000 PHE 45 1.000 75.941 32.410 35.050 -99.200 -91.000 TYR 64 0.840 87.704 22.165 44.164 -99.200 -91.000