============================================================================= 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 0.840 107.920 92.312 -42.975 -99.200 -91.000 TYR 12 0.840 99.572 94.239 -48.490 -99.200 -91.000 PHE 14 1.000 99.157 91.147 -39.267 -99.200 -91.000 PHE 18 1.000 96.603 91.498 -28.165 -99.200 -91.000 HIS 20 0.900 92.576 99.105 -24.139 -99.200 -91.000 TYR 31 0.840 98.200 92.948 -24.997 -99.200 -91.000 PHE 39 1.000 98.957 88.002 -17.643 -99.200 -91.000 TRP 51 1.040 93.742 97.205 -35.206 -99.200 -91.000 TRP6 51 1.020 92.141 98.909 -35.558 -99.200 -91.000 TYR 68 0.840 107.255 75.060 -24.708 -99.200 -91.000 HIS 73 0.900 112.592 74.532 -21.751 -99.200 -91.000 HIS 83 0.900 93.076 65.443 -18.550 -99.200 -91.000 HIS 84 0.900 93.765 69.877 -20.425 -99.200 -91.000 HIS 98 0.900 97.024 71.498 -34.417 -99.200 -91.000 TYR 110 0.840 92.418 73.859 -36.236 -99.200 -91.000 PHE 117 1.000 108.194 65.816 -37.246 -99.200 -91.000 HIS 119 0.900 100.650 70.392 -32.842 -99.200 -91.000 HIS 138 0.900 85.727 86.320 -31.895 -99.200 -91.000 TYR 139 0.840 93.884 83.281 -32.917 -99.200 -91.000 TYR 141 0.840 96.122 81.008 -26.633 -99.200 -91.000 TYR 144 0.840 93.929 75.578 -16.533 -99.200 -91.000 PHE 175 1.000 99.060 87.057 -28.742 -99.200 -91.000