============================================================================= 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. HIS 5 0.900 52.258 14.372 32.385 -99.200 -91.000 TYR 6 0.840 43.445 13.329 26.324 -99.200 -91.000 PHE 47 1.000 37.458 29.113 40.202 -99.200 -91.000 TYR 52 0.840 53.151 28.843 32.287 -99.200 -91.000 TYR 64 0.840 48.956 38.095 34.265 -99.200 -91.000 HIS 65 0.900 55.978 35.134 32.600 -99.200 -91.000 TYR 90 0.840 49.007 25.826 19.406 -99.200 -91.000 TYR 123 0.840 47.418 22.859 34.472 -99.200 -91.000 HIS 130 0.900 53.653 12.974 39.044 -99.200 -91.000 HIS 131 0.900 45.926 12.140 39.174 -99.200 -91.000