============================================================================= 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 7 0.840 139.956 101.425 -42.495 -99.200 -91.000 TYR 11 0.840 131.430 103.434 -48.250 -99.200 -91.000 PHE 13 1.000 130.965 100.513 -39.066 -99.200 -91.000 PHE 17 1.000 127.980 100.853 -28.162 -99.200 -91.000 HIS 19 0.900 123.742 108.495 -24.539 -99.200 -91.000 TYR 30 0.840 129.439 102.278 -24.921 -99.200 -91.000 PHE 38 1.000 129.709 97.330 -17.601 -99.200 -91.000 TRP 50 1.040 125.560 106.661 -35.153 -99.200 -91.000 TRP6 50 1.020 123.982 108.352 -35.626 -99.200 -91.000 TYR 67 0.840 138.210 84.475 -24.280 -99.200 -91.000 HIS 72 0.900 143.138 84.093 -20.825 -99.200 -91.000 HIS 82 0.900 123.976 75.051 -18.699 -99.200 -91.000 HIS 83 0.900 124.544 79.160 -20.637 -99.200 -91.000 HIS 97 0.900 128.549 80.824 -34.438 -99.200 -91.000 TYR 109 0.840 124.032 83.170 -36.361 -99.200 -91.000 PHE 116 1.000 139.881 75.330 -36.945 -99.200 -91.000 HIS 118 0.900 132.129 79.733 -32.730 -99.200 -91.000 HIS 137 0.900 117.410 95.947 -31.972 -99.200 -91.000 TYR 138 0.840 125.351 92.662 -33.010 -99.200 -91.000 TYR 140 0.840 127.256 90.373 -26.703 -99.200 -91.000 TYR 143 0.840 124.495 84.992 -16.681 -99.200 -91.000 PHE 174 1.000 130.393 96.364 -28.611 -99.200 -91.000