============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 5 1.000 40.686 -16.665 22.619 -99.200 -91.000 PHE 7 1.000 34.821 -19.827 23.939 -99.200 -91.000 TRP 41 1.040 39.280 -27.373 33.599 -99.200 -91.000 TRP6 41 1.020 37.923 -25.615 32.792 -99.200 -91.000 PHE 42 1.000 43.126 -24.331 39.948 -99.200 -91.000 HIS 49 0.900 42.817 -33.210 39.929 -99.200 -91.000 HIS 56 0.900 41.810 -32.415 15.059 -99.200 -91.000 TYR 60 0.840 41.460 -27.031 5.984 -99.200 -91.000 HIS 74 0.900 21.781 -28.309 35.744 -99.200 -91.000 TRP 77 1.040 26.167 -20.705 34.867 -99.200 -91.000 TRP6 77 1.020 28.364 -20.013 34.258 -99.200 -91.000 PHE 83 1.000 31.904 -23.133 37.632 -99.200 -91.000 TYR 113 0.840 4.275 -10.645 21.664 -99.200 -91.000 PHE 136 1.000 15.703 -12.146 25.646 -99.200 -91.000 TRP 145 1.040 11.392 -21.953 15.165 -99.200 -91.000 TRP6 145 1.020 9.224 -21.032 14.995 -99.200 -91.000 HIS 150 0.900 6.404 -35.322 14.407 -99.200 -91.000 TYR 155 0.840 16.015 -23.581 15.040 -99.200 -91.000 TYR 168 0.840 20.415 -8.134 26.365 -99.200 -91.000 PHE 169 1.000 15.626 -6.695 19.183 -99.200 -91.000 TYR 171 0.840 12.563 -9.897 15.245 -99.200 -91.000 TRP 181 1.040 2.166 -20.846 6.146 -99.200 -91.000 TRP6 181 1.020 2.131 -20.649 8.500 -99.200 -91.000 PHE 187 1.000 4.831 -25.133 11.028 -99.200 -91.000 HIS 193 0.900 15.297 -15.123 30.152 -99.200 -91.000 TYR 199 0.840 14.994 -22.120 35.581 -99.200 -91.000 TYR 200 0.840 9.071 -25.582 27.204 -99.200 -91.000