============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 6 1.000 51.606 20.998 23.943 -99.200 -91.000 TYR 9 0.840 48.805 18.596 28.568 -99.200 -91.000 HIS 42 0.900 73.154 35.381 38.988 -99.200 -91.000 HIS 45 0.900 69.851 27.024 32.700 -99.200 -91.000 TYR 68 0.840 70.471 36.484 27.647 -99.200 -91.000 HIS 86 0.900 70.077 24.414 22.991 -99.200 -91.000 HIS 94 0.900 66.492 29.497 29.453 -99.200 -91.000 TYR 113 0.840 52.923 31.263 36.479 -99.200 -91.000 PHE 116 1.000 54.548 30.682 31.689 -99.200 -91.000 PHE 132 1.000 63.735 29.682 42.292 -99.200 -91.000 TYR 152 0.840 48.484 22.539 25.748 -99.200 -91.000 TYR 161 0.840 47.111 16.038 37.567 -99.200 -91.000 TYR 168 0.840 42.162 25.900 39.597 -99.200 -91.000