============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 11 0.840 -20.296 -3.058 10.514 -99.200 -91.000 HIS 14 0.900 -30.747 -1.443 14.809 -99.200 -91.000 PHE 23 1.000 -26.183 3.295 18.279 -99.200 -91.000 TYR 27 0.840 -14.599 -5.929 13.456 -99.200 -91.000 PHE 31 1.000 -5.858 -2.822 14.298 -99.200 -91.000 HIS 32 0.900 0.683 -6.879 16.394 -99.200 -91.000 HIS 52 0.900 -11.761 3.809 21.502 -99.200 -91.000 PHE 57 1.000 -4.801 -10.688 22.367 -99.200 -91.000 TRP 61 1.040 -0.545 -14.386 18.960 -99.200 -91.000 TRP6 61 1.020 -1.016 -14.345 21.267 -99.200 -91.000 PHE 63 1.000 -3.106 -5.695 19.087 -99.200 -91.000 TYR 64 0.840 -11.479 -8.118 18.352 -99.200 -91.000 TYR 67 0.840 -12.088 3.741 16.540 -99.200 -91.000 TYR 68 0.840 -19.711 2.355 20.026 -99.200 -91.000 PHE 71 1.000 -25.868 6.037 10.138 -99.200 -91.000 TYR 79 0.840 -23.740 9.578 7.596 -99.200 -91.000 HIS 85 0.900 -1.657 -0.329 11.149 -99.200 -91.000 TRP 96 1.040 -23.185 2.867 5.556 -99.200 -91.000 TRP6 96 1.020 -25.228 4.032 5.298 -99.200 -91.000