============================================================================= 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. PHE 7 1.000 32.073 65.578 63.104 -99.200 -91.000 PHE 27 1.000 35.788 55.850 58.855 -99.200 -91.000 PHE 32 1.000 41.773 56.623 57.076 -99.200 -91.000 PHE 39 1.000 25.433 57.157 71.992 -99.200 -91.000 HIS 46 0.900 26.886 70.987 67.941 -99.200 -91.000 HIS 50 0.900 27.787 68.812 60.704 -99.200 -91.000 TYR 51 0.840 24.077 68.324 58.019 -99.200 -91.000 PHE 59 1.000 18.745 68.818 51.292 -99.200 -91.000 PHE 60 1.000 18.981 73.617 57.636 -99.200 -91.000 TYR 66 0.840 18.536 61.260 59.416 -99.200 -91.000 TRP 77 1.040 37.584 57.927 62.603 -99.200 -91.000 TRP6 77 1.020 38.488 55.870 63.354 -99.200 -91.000 PHE 107 1.000 26.535 48.032 56.418 -99.200 -91.000 HIS 117 0.900 29.287 65.314 57.980 -99.200 -91.000 TRP 132 1.040 29.929 68.280 65.122 -99.200 -91.000 TRP6 132 1.020 28.026 67.033 65.767 -99.200 -91.000 PHE 133 1.000 34.854 65.265 68.868 -99.200 -91.000 TYR 141 0.840 45.843 57.326 70.036 -99.200 -91.000 HIS 146 0.900 52.806 56.852 61.584 -99.200 -91.000 TRP 148 1.040 55.153 47.137 61.023 -99.200 -91.000 TRP6 148 1.020 56.783 46.209 59.577 -99.200 -91.000 TYR 150 0.840 50.575 56.834 57.576 -99.200 -91.000