============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 27 0.840 3.710 -20.775 27.159 -99.200 -91.000 PHE 29 1.000 5.565 -21.640 20.659 -99.200 -91.000 TYR 32 0.840 3.581 -25.597 30.269 -99.200 -91.000 TYR 33 0.840 2.297 -32.558 24.570 -99.200 -91.000 HIS 35 0.900 -3.744 -30.525 23.256 -99.200 -91.000 TRP 36 1.040 -4.303 -25.036 16.692 -99.200 -91.000 TRP6 36 1.020 -5.006 -22.798 16.463 -99.200 -91.000 TRP 47 1.040 -7.737 -32.454 20.867 -99.200 -91.000 TRP6 47 1.020 -6.863 -34.372 19.784 -99.200 -91.000 TRP 50 1.040 -1.087 -33.834 21.067 -99.200 -91.000 TRP6 50 1.020 1.142 -34.372 20.453 -99.200 -91.000 TYR 52 0.840 6.753 -30.547 24.038 -99.200 -91.000 HIS 57 0.900 4.866 -36.360 15.350 -99.200 -91.000 TYR 60 0.840 -2.279 -33.249 12.502 -99.200 -91.000 PHE 64 1.000 -11.413 -31.864 12.371 -99.200 -91.000 TYR 80 0.840 1.746 -19.778 12.005 -99.200 -91.000 TYR 94 0.840 -11.935 -23.646 13.119 -99.200 -91.000 TYR 95 0.840 -12.609 -20.805 21.484 -99.200 -91.000 TRP 100 1.040 -0.140 -29.604 34.537 -99.200 -91.000 TRP6 100 1.020 1.938 -30.485 33.874 -99.200 -91.000 PHE 103 1.000 -7.111 -28.713 25.974 -99.200 -91.000 TYR 105 0.840 -2.847 -20.280 31.660 -99.200 -91.000 TRP 106 1.040 -9.627 -22.788 27.175 -99.200 -91.000 TRP6 106 1.020 -10.635 -24.219 25.589 -99.200 -91.000 PHE 125 1.000 -35.840 -2.840 4.311 -99.200 -91.000 TYR 141 0.840 -26.023 -8.673 8.802 -99.200 -91.000 PHE 142 1.000 -20.939 -13.784 3.917 -99.200 -91.000 TRP 150 1.040 -32.091 1.172 19.001 -99.200 -91.000 TRP6 150 1.020 -33.851 1.800 17.565 -99.200 -91.000 HIS 160 0.900 -34.758 -6.737 25.295 -99.200 -91.000 PHE 162 1.000 -35.140 -9.972 19.522 -99.200 -91.000 TYR 172 0.840 -24.723 -14.359 8.739 -99.200 -91.000 TYR 190 0.840 -37.590 7.127 20.754 -99.200 -91.000 HIS 196 0.900 -21.718 -5.609 6.941 -99.200 -91.000