============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. PHE 16 1.000 31.914 24.141 -1.195 -99.200 -91.000 PHE 20 1.000 37.136 22.264 -4.025 -99.200 -91.000 PHE 25 1.000 38.953 13.944 -13.804 -99.200 -91.000 TYR 68 0.840 29.986 43.747 7.120 -99.200 -91.000 TYR 75 0.840 37.404 35.567 6.228 -99.200 -91.000 PHE 86 1.000 48.706 26.936 0.327 -99.200 -91.000 HIS 88 0.900 53.874 22.970 9.713 -99.200 -91.000