============================================================================= 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. PHE 15 1.000 33.388 41.962 12.170 -99.200 -91.000 HIS 22 0.900 33.823 45.170 23.900 -99.200 -91.000 HIS 35 0.900 46.125 53.958 12.309 -99.200 -91.000 PHE 36 1.000 38.500 49.575 11.152 -99.200 -91.000 PHE 61 1.000 34.103 47.946 13.226 -99.200 -91.000 HIS 68 0.900 44.008 56.935 9.703 -99.200 -91.000 PHE 69 1.000 39.635 51.455 6.104 -99.200 -91.000 HIS 70 0.900 47.534 50.925 8.493 -99.200 -91.000 HIS 97 0.900 36.995 31.691 20.300 -99.200 -91.000 TYR 104 0.840 42.615 24.973 19.249 -99.200 -91.000 HIS 116 0.900 55.750 37.364 22.243 -99.200 -91.000