============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 13 1.000 0.949 14.363 -18.382 -99.200 -91.000 PHE 15 1.000 3.900 8.117 -8.719 -99.200 -91.000 PHE 34 1.000 -12.626 -3.385 -14.882 -99.200 -91.000 TYR 43 0.840 -10.490 -19.445 -29.911 -99.200 -91.000 HIS 54 0.900 -20.519 11.802 -24.937 -99.200 -91.000 TRP 57 1.040 -13.253 -2.023 -29.436 -99.200 -91.000 TRP6 57 1.020 -12.702 -4.175 -28.621 -99.200 -91.000 HIS 60 0.900 -21.582 -7.074 -32.936 -99.200 -91.000 TYR 64 0.840 -12.595 -6.809 -33.084 -99.200 -91.000 TYR 66 0.840 -14.928 2.445 -30.559 -99.200 -91.000 TRP 77 1.040 -20.698 1.669 -23.007 -99.200 -91.000 TRP6 77 1.020 -19.932 -0.392 -22.137 -99.200 -91.000 PHE 84 1.000 -11.367 7.324 -15.789 -99.200 -91.000 HIS 85 0.900 -12.738 15.856 -21.204 -99.200 -91.000 TYR 97 0.840 -1.310 13.882 -31.478 -99.200 -91.000 PHE 100 1.000 -8.138 12.391 -28.028 -99.200 -91.000 TYR 110 0.840 -3.780 -5.625 -19.880 -99.200 -91.000 HIS 119 0.900 -4.845 -4.149 -30.191 -99.200 -91.000 PHE 142 1.000 2.185 0.106 -26.225 -99.200 -91.000 PHE 144 1.000 3.452 2.626 -31.389 -99.200 -91.000 HIS 160 0.900 0.547 3.858 -10.387 -99.200 -91.000 TRP 166 1.040 -1.210 4.717 -31.151 -99.200 -91.000 TRP6 166 1.020 -1.387 3.816 -28.970 -99.200 -91.000 PHE 173 1.000 3.287 3.433 -37.184 -99.200 -91.000 TYR 174 0.840 -0.927 -4.632 -37.366 -99.200 -91.000 HIS 175 0.900 -2.129 -0.548 -30.495 -99.200 -91.000 PHE 184 1.000 1.273 -4.990 -2.690 -99.200 -91.000 HIS 185 0.900 1.246 0.299 -8.019 -99.200 -91.000 TYR 193 0.840 -7.609 -1.501 -12.352 -99.200 -91.000 PHE 197 1.000 -8.921 8.747 -21.163 -99.200 -91.000