============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. HIS 1 0.900 -48.918 74.229 37.944 -99.200 -91.000 HIS 24 0.900 -29.787 76.309 32.032 -99.200 -91.000 PHE 25 1.000 -38.008 75.806 31.181 -99.200 -91.000 PHE 33 1.000 -46.742 64.696 26.057 -99.200 -91.000 HIS 48 0.900 -40.004 97.413 16.424 -99.200 -91.000 TYR 79 0.840 -32.245 86.928 16.999 -99.200 -91.000 TRP 83 1.040 -40.121 79.831 28.052 -99.200 -91.000 TRP6 83 1.020 -41.468 79.024 29.822 -99.200 -91.000 HIS 91 0.900 -53.631 71.814 34.056 -99.200 -91.000 PHE 99 1.000 -31.416 85.847 22.424 -99.200 -91.000