============================================================================= 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. PHE 4 1.000 8.393 33.578 8.112 -99.200 -91.000 TYR 18 0.840 29.109 25.510 5.021 -99.200 -91.000 TYR 25 0.840 24.363 15.900 6.736 -99.200 -91.000 PHE 42 1.000 22.712 36.293 18.547 -99.200 -91.000 PHE 51 1.000 21.385 41.285 21.502 -99.200 -91.000 TYR 58 0.840 28.681 34.263 8.096 -99.200 -91.000 HIS 62 0.900 33.438 37.853 -2.047 -99.200 -91.000 PHE 65 1.000 37.427 25.925 -8.462 -99.200 -91.000 PHE 77 1.000 14.381 33.483 17.273 -99.200 -91.000 HIS 88 0.900 22.946 45.400 18.754 -99.200 -91.000 PHE 89 1.000 21.322 42.007 15.599 -99.200 -91.000 PHE 100 1.000 14.972 41.299 13.842 -99.200 -91.000 HIS 102 0.900 21.452 38.596 5.394 -99.200 -91.000 PHE 112 1.000 28.246 26.679 15.459 -99.200 -91.000 PHE 113 1.000 29.888 30.150 10.722 -99.200 -91.000