============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 10 0.840 -64.645 -6.574 -38.304 -99.200 -91.000 TYR 25 0.840 -63.780 -28.726 -39.806 -99.200 -91.000 PHE 26 1.000 -71.434 -34.189 -35.176 -99.200 -91.000 HIS 28 0.900 -67.069 -32.240 -45.018 -99.200 -91.000 PHE 32 1.000 -64.207 -37.673 -44.035 -99.200 -91.000 TRP 35 1.040 -68.582 -43.066 -47.320 -99.200 -91.000 TRP6 35 1.020 -67.865 -40.924 -48.026 -99.200 -91.000 TYR 45 0.840 -66.834 -35.831 -31.997 -99.200 -91.000 HIS 46 0.900 -61.339 -35.849 -31.027 -99.200 -91.000 HIS 54 0.900 -61.852 -21.931 -32.533 -99.200 -91.000 TYR 58 0.840 -65.400 -15.786 -32.375 -99.200 -91.000 PHE 64 1.000 -67.072 -8.090 -20.302 -99.200 -91.000 TYR 107 0.840 -62.929 -1.734 -35.878 -99.200 -91.000 HIS 112 0.900 -56.530 2.296 -28.230 -99.200 -91.000 TYR 114 0.840 -55.035 -2.594 -27.191 -99.200 -91.000 HIS 130 0.900 -59.255 -26.023 -36.647 -99.200 -91.000 TRP 133 1.040 -55.035 -33.233 -39.960 -99.200 -91.000 TRP6 133 1.020 -57.155 -33.686 -40.882 -99.200 -91.000 TYR 149 0.840 -55.896 -39.703 -47.195 -99.200 -91.000