============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 8 0.840 108.274 91.521 -42.959 -99.200 -91.000 TYR 12 0.840 99.820 93.342 -48.542 -99.200 -91.000 PHE 14 1.000 99.409 90.280 -39.297 -99.200 -91.000 PHE 18 1.000 96.848 90.533 -28.279 -99.200 -91.000 HIS 20 0.900 92.796 98.107 -24.311 -99.200 -91.000 TYR 31 0.840 98.435 91.994 -25.110 -99.200 -91.000 PHE 39 1.000 99.110 87.151 -17.793 -99.200 -91.000 TRP 51 1.040 93.967 96.368 -35.234 -99.200 -91.000 TRP6 51 1.020 92.316 97.977 -35.758 -99.200 -91.000 TYR 68 0.840 107.510 74.260 -24.800 -99.200 -91.000 HIS 73 0.900 112.811 73.760 -21.812 -99.200 -91.000 HIS 83 0.900 93.449 64.938 -18.645 -99.200 -91.000 HIS 84 0.900 94.103 69.210 -20.492 -99.200 -91.000 HIS 98 0.900 97.338 70.739 -34.541 -99.200 -91.000 TYR 110 0.840 92.714 73.132 -36.315 -99.200 -91.000 PHE 117 1.000 108.494 64.995 -37.284 -99.200 -91.000 HIS 119 0.900 100.994 69.588 -32.896 -99.200 -91.000 HIS 138 0.900 85.954 85.458 -31.956 -99.200 -91.000 TYR 139 0.840 94.187 82.414 -33.046 -99.200 -91.000 TYR 141 0.840 96.465 80.157 -26.813 -99.200 -91.000 TYR 144 0.840 94.158 74.700 -16.828 -99.200 -91.000 PHE 175 1.000 99.331 86.176 -28.879 -99.200 -91.000