============================================================================= 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 52.070 51.109 67.491 -99.200 -91.000 PHE 19 1.000 48.238 47.727 83.320 -99.200 -91.000 TYR 22 0.840 51.698 48.709 72.242 -99.200 -91.000 HIS 27 0.900 46.853 44.051 77.403 -99.200 -91.000 PHE 29 1.000 50.946 52.501 83.730 -99.200 -91.000 TYR 39 0.840 41.977 60.539 72.840 -99.200 -91.000 PHE 40 1.000 40.955 64.702 80.210 -99.200 -91.000 TYR 44 0.840 38.206 67.606 87.257 -99.200 -91.000 HIS 47 0.900 43.103 75.779 90.738 -99.200 -91.000 PHE 81 1.000 49.292 65.138 75.285 -99.200 -91.000