============================================================================= 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. PHE 4 1.000 44.542 34.085 -14.757 -99.200 -91.000 TYR 5 0.840 50.632 29.661 -18.012 -99.200 -91.000 TRP 8 1.040 54.467 42.167 -17.099 -99.200 -91.000 TRP6 8 1.020 56.266 40.807 -16.377 -99.200 -91.000 PHE 19 1.000 46.012 37.717 -17.871 -99.200 -91.000 TRP 26 1.040 38.842 18.668 -16.548 -99.200 -91.000 TRP6 26 1.020 37.672 20.615 -15.907 -99.200 -91.000 TRP 34 1.040 39.236 35.668 -15.900 -99.200 -91.000 TRP6 34 1.020 38.887 35.995 -18.213 -99.200 -91.000 PHE 49 1.000 34.830 25.086 -19.738 -99.200 -91.000 PHE 62 1.000 36.136 40.159 -18.681 -99.200 -91.000 HIS 71 0.900 44.680 18.024 -16.668 -99.200 -91.000 PHE 73 1.000 40.033 24.879 -18.083 -99.200 -91.000 HIS 74 0.900 44.529 29.919 -25.024 -99.200 -91.000 TYR 88 0.840 41.095 40.804 -15.031 -99.200 -91.000 HIS 96 0.900 33.828 14.817 -5.340 -99.200 -91.000