============================================================================= 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. TYR 4 0.840 52.036 51.182 67.564 -99.200 -91.000 PHE 19 1.000 48.099 47.698 83.296 -99.200 -91.000 TYR 22 0.840 51.558 48.802 72.216 -99.200 -91.000 HIS 27 0.900 46.845 44.077 77.562 -99.200 -91.000 PHE 29 1.000 50.944 52.654 83.773 -99.200 -91.000 TYR 39 0.840 41.918 60.482 72.853 -99.200 -91.000 PHE 40 1.000 40.709 64.562 80.228 -99.200 -91.000 TYR 44 0.840 35.967 65.842 83.876 -99.200 -91.000 HIS 47 0.900 43.123 75.698 90.599 -99.200 -91.000 PHE 81 1.000 49.129 65.159 75.302 -99.200 -91.000