============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 18 0.840 -1.931 8.136 3.558 -99.200 -91.000 TYR 25 0.840 -6.974 -6.569 10.567 -99.200 -91.000 TYR 48 0.840 6.823 -3.475 -8.607 -99.200 -91.000 PHE 54 1.000 11.073 12.945 -11.891 -99.200 -91.000 TYR 58 0.840 2.673 10.820 -0.294 -99.200 -91.000 PHE 59 1.000 4.629 2.182 1.678 -99.200 -91.000 PHE 73 1.000 8.808 3.545 -2.999 -99.200 -91.000 TYR 75 0.840 11.021 3.895 -8.288 -99.200 -91.000 PHE 87 1.000 7.900 4.061 4.210 -99.200 -91.000 PHE 101 1.000 -8.727 1.341 13.194 -99.200 -91.000 TRP 106 1.040 -1.320 0.772 -0.344 -99.200 -91.000 TRP6 106 1.020 0.187 -0.689 -1.427 -99.200 -91.000 HIS 114 0.900 2.986 -2.612 -8.984 -99.200 -91.000 TYR 118 0.840 7.413 -10.375 6.487 -99.200 -91.000 TRP 125 1.040 1.069 -1.955 26.732 -99.200 -91.000 TRP6 125 1.020 1.993 -2.197 28.888 -99.200 -91.000