============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. HIS 4 0.900 -6.892 18.225 31.871 -99.200 -91.000 TYR 7 0.840 -5.525 14.960 48.048 -99.200 -91.000 HIS 25 0.900 9.157 19.008 36.711 -99.200 -91.000 PHE 28 1.000 3.729 11.730 40.381 -99.200 -91.000 PHE 31 1.000 4.372 8.031 35.432 -99.200 -91.000 PHE 50 1.000 -4.537 19.093 45.575 -99.200 -91.000 PHE 53 1.000 0.771 14.342 35.354 -99.200 -91.000 PHE 69 1.000 8.491 5.055 43.636 -99.200 -91.000 PHE 71 1.000 8.273 11.407 46.684 -99.200 -91.000 TYR 72 0.840 11.886 12.294 49.510 -99.200 -91.000 TYR 80 0.840 -8.263 10.112 37.817 -99.200 -91.000