============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 7 0.900 38.072 58.957 22.547 -99.200 -91.000 TYR 11 0.840 23.843 57.989 22.782 -99.200 -91.000 HIS 19 0.900 12.452 63.477 38.253 -99.200 -91.000 HIS 20 0.900 11.860 60.605 30.986 -99.200 -91.000 PHE 21 1.000 17.300 58.774 35.082 -99.200 -91.000 TYR 32 0.840 43.898 45.219 25.494 -99.200 -91.000 PHE 50 1.000 17.234 59.552 40.802 -99.200 -91.000 PHE 52 1.000 24.909 60.927 38.225 -99.200 -91.000 PHE 59 1.000 25.902 57.240 34.058 -99.200 -91.000 PHE 63 1.000 37.155 51.548 28.331 -99.200 -91.000 HIS 66 0.900 38.928 40.234 32.286 -99.200 -91.000 PHE 73 1.000 30.851 36.446 28.265 -99.200 -91.000 PHE 74 1.000 32.652 41.223 30.656 -99.200 -91.000 PHE 78 1.000 33.442 44.805 21.979 -99.200 -91.000 PHE 82 1.000 30.099 43.707 26.709 -99.200 -91.000 TRP 84 1.040 25.982 45.872 31.545 -99.200 -91.000 TRP6 84 1.020 24.593 47.080 33.034 -99.200 -91.000 TYR 90 0.840 20.556 50.950 46.492 -99.200 -91.000 TYR 111 0.840 29.589 51.631 27.142 -99.200 -91.000 PHE 120 1.000 16.015 53.295 44.993 -99.200 -91.000 TRP 134 1.040 28.520 54.031 44.526 -99.200 -91.000 TRP6 134 1.020 26.917 52.649 45.562 -99.200 -91.000 TYR 142 0.840 27.658 32.798 39.414 -99.200 -91.000 HIS 163 0.900 30.436 52.931 54.935 -99.200 -91.000 TYR 172 0.840 28.492 40.797 33.689 -99.200 -91.000 TYR 187 0.840 36.644 36.799 35.665 -99.200 -91.000 TYR 188 0.840 37.090 35.356 43.277 -99.200 -91.000 TYR 204 0.840 30.374 67.762 33.427 -99.200 -91.000 HIS 208 0.900 39.702 56.868 36.851 -99.200 -91.000 TYR 215 0.840 41.428 32.374 36.842 -99.200 -91.000