============================================================================= 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 0.840 108.092 92.234 -42.958 -99.200 -91.000 TYR 12 0.840 99.693 94.057 -48.550 -99.200 -91.000 PHE 14 1.000 99.349 90.883 -39.327 -99.200 -91.000 PHE 18 1.000 96.702 91.176 -28.176 -99.200 -91.000 HIS 20 0.900 92.654 98.824 -24.264 -99.200 -91.000 TYR 31 0.840 98.412 92.694 -25.050 -99.200 -91.000 PHE 39 1.000 99.128 87.766 -17.722 -99.200 -91.000 TRP 51 1.040 93.854 96.974 -35.266 -99.200 -91.000 TRP6 51 1.020 92.273 98.675 -35.685 -99.200 -91.000 TYR 68 0.840 107.501 74.889 -24.809 -99.200 -91.000 HIS 73 0.900 112.885 74.426 -21.784 -99.200 -91.000 HIS 83 0.900 93.425 65.297 -18.545 -99.200 -91.000 HIS 84 0.900 94.046 69.685 -20.471 -99.200 -91.000 HIS 98 0.900 97.323 71.286 -34.514 -99.200 -91.000 TYR 110 0.840 92.714 73.639 -36.326 -99.200 -91.000 PHE 117 1.000 108.470 65.585 -37.346 -99.200 -91.000 HIS 119 0.900 100.996 70.164 -32.949 -99.200 -91.000 HIS 136 0.900 85.968 85.991 -31.929 -99.200 -91.000 TYR 137 0.840 94.159 83.052 -32.997 -99.200 -91.000 TYR 139 0.840 96.410 80.746 -26.739 -99.200 -91.000 TYR 142 0.840 94.218 75.301 -16.679 -99.200 -91.000 PHE 173 1.000 99.290 86.812 -28.758 -99.200 -91.000