============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 24 0.840 30.598 23.130 45.321 -99.200 -91.000 TYR 32 0.840 34.164 49.688 37.495 -99.200 -91.000 PHE 46 1.000 25.064 38.578 42.395 -99.200 -91.000 PHE 50 1.000 22.925 34.583 44.942 -99.200 -91.000 PHE 57 1.000 33.202 48.737 41.405 -99.200 -91.000 PHE 74 1.000 34.143 50.925 50.845 -99.200 -91.000 HIS 84 0.900 45.252 48.955 39.011 -99.200 -91.000 PHE 86 1.000 52.422 51.875 37.853 -99.200 -91.000 PHE 107 1.000 40.542 42.168 49.946 -99.200 -91.000 HIS 114 0.900 47.636 42.368 32.640 -99.200 -91.000 PHE 120 1.000 55.177 50.462 30.963 -99.200 -91.000 TYR 140 0.840 48.955 43.933 51.217 -99.200 -91.000 PHE 162 1.000 41.652 37.075 52.899 -99.200 -91.000 PHE 181 1.000 54.171 30.432 47.323 -99.200 -91.000 TYR 192 0.840 32.520 34.097 34.086 -99.200 -91.000