============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 15 0.840 43.814 23.661 113.679 -99.200 -91.000 TYR 16 0.840 42.774 26.182 108.343 -99.200 -91.000 HIS 25 0.900 31.127 27.995 108.426 -99.200 -91.000 PHE 33 1.000 20.113 14.469 97.701 -99.200 -91.000 TYR 41 0.840 34.706 22.642 100.743 -99.200 -91.000 TYR 45 0.840 43.901 33.688 106.219 -99.200 -91.000 TYR 49 0.840 33.870 34.859 98.366 -99.200 -91.000 PHE 52 1.000 38.244 25.601 99.869 -99.200 -91.000 PHE 63 1.000 41.400 16.363 89.789 -99.200 -91.000 PHE 68 1.000 37.024 20.787 89.010 -99.200 -91.000 HIS 69 0.900 28.611 21.827 88.286 -99.200 -91.000 HIS 71 0.900 25.086 26.531 85.529 -99.200 -91.000 HIS 75 0.900 30.828 31.241 92.621 -99.200 -91.000 HIS 82 0.900 32.641 41.028 90.821 -99.200 -91.000 PHE 87 1.000 41.965 28.032 97.462 -99.200 -91.000 PHE 92 1.000 46.808 14.437 90.599 -99.200 -91.000 TYR 99 0.840 50.132 18.637 93.561 -99.200 -91.000 HIS 105 0.900 47.461 28.794 86.957 -99.200 -91.000 TRP 109 1.040 44.925 23.176 81.866 -99.200 -91.000 TRP6 109 1.020 45.355 21.713 80.057 -99.200 -91.000 TRP 110 1.040 34.815 24.508 81.676 -99.200 -91.000 TRP6 110 1.020 33.977 22.430 82.423 -99.200 -91.000 HIS 129 0.900 51.012 26.915 85.016 -99.200 -91.000 HIS 131 0.900 51.450 27.791 94.747 -99.200 -91.000 TYR 137 0.840 46.361 14.716 115.386 -99.200 -91.000 TYR 143 0.840 41.983 25.608 103.080 -99.200 -91.000 TYR 151 0.840 45.890 33.041 96.160 -99.200 -91.000 PHE 152 1.000 45.895 37.264 102.380 -99.200 -91.000