============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 20 1.000 156.628 137.135 48.516 -99.200 -91.000 TRP 32 1.040 157.621 128.109 48.767 -99.200 -91.000 TRP6 32 1.020 158.354 129.434 46.961 -99.200 -91.000 HIS 43 0.900 145.810 134.190 62.070 -99.200 -91.000 PHE 45 1.000 150.677 136.037 53.537 -99.200 -91.000 HIS 46 0.900 145.796 142.278 54.283 -99.200 -91.000 HIS 48 0.900 149.669 146.466 55.460 -99.200 -91.000 PHE 50 1.000 154.615 154.350 52.464 -99.200 -91.000 HIS 63 0.900 145.408 146.220 53.317 -99.200 -91.000 PHE 64 1.000 152.330 148.320 45.782 -99.200 -91.000 HIS 71 0.900 141.008 144.332 51.671 -99.200 -91.000 HIS 80 0.900 143.270 147.936 48.993 -99.200 -91.000 HIS 110 0.900 152.964 151.077 40.074 -99.200 -91.000 HIS 120 0.900 146.619 142.660 58.984 -99.200 -91.000