============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 1 0.900 51.753 23.189 7.166 -99.200 -91.000 HIS 2 0.900 53.688 22.533 15.795 -99.200 -91.000 TYR 30 0.840 47.292 -16.729 5.510 -99.200 -91.000 TRP 36 1.040 51.541 -25.684 -3.851 -99.200 -91.000 TRP6 36 1.020 50.211 -27.584 -3.368 -99.200 -91.000 TYR 38 0.840 42.022 -20.233 -6.689 -99.200 -91.000 HIS 40 0.900 50.099 -27.747 -6.950 -99.200 -91.000 PHE 48 1.000 39.715 -20.399 4.759 -99.200 -91.000 PHE 50 1.000 41.620 -13.346 -4.146 -99.200 -91.000 HIS 52 0.900 43.037 -15.484 6.824 -99.200 -91.000 TYR 57 0.840 45.807 -3.866 1.405 -99.200 -91.000 HIS 59 0.900 42.375 -8.367 10.065 -99.200 -91.000 PHE 66 1.000 44.936 3.729 17.296 -99.200 -91.000 HIS 84 0.900 58.512 -20.343 -4.863 -99.200 -91.000 PHE 86 1.000 53.270 -22.849 0.454 -99.200 -91.000 PHE 93 1.000 43.935 -24.606 4.918 -99.200 -91.000 TYR 97 0.840 46.182 -23.943 14.888 -99.200 -91.000 HIS 99 0.900 51.608 -15.945 9.306 -99.200 -91.000 HIS 102 0.900 54.744 -14.485 14.526 -99.200 -91.000 HIS 113 0.900 54.801 -0.947 25.393 -99.200 -91.000 HIS 120 0.900 44.233 1.208 29.902 -99.200 -91.000 PHE 123 1.000 42.661 -3.258 26.960 -99.200 -91.000 PHE 125 1.000 42.793 0.624 16.358 -99.200 -91.000 TRP 128 1.040 39.583 -3.151 15.578 -99.200 -91.000 TRP6 128 1.020 40.623 -4.222 13.740 -99.200 -91.000 TYR 129 0.840 44.962 -6.799 14.643 -99.200 -91.000 HIS 134 0.900 39.388 -16.929 20.191 -99.200 -91.000 PHE 140 1.000 43.639 -19.962 8.423 -99.200 -91.000 HIS 155 0.900 35.909 -40.587 -2.573 -99.200 -91.000 TYR 158 0.840 34.880 -33.699 -4.637 -99.200 -91.000 TYR 163 0.840 34.320 -28.528 6.672 -99.200 -91.000