============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 28 1.000 4.894 64.675 39.608 -99.200 -91.000 TYR 30 0.840 0.866 68.087 30.407 -99.200 -91.000 PHE 37 1.000 3.692 51.967 31.079 -99.200 -91.000 TYR 49 0.840 -3.014 48.896 39.189 -99.200 -91.000 TYR 51 0.840 8.380 47.311 40.062 -99.200 -91.000 TYR 52 0.840 6.988 48.685 35.642 -99.200 -91.000 HIS 53 0.900 3.326 54.555 40.789 -99.200 -91.000 TYR 55 0.840 5.851 60.281 37.979 -99.200 -91.000 TYR 80 0.840 12.241 50.745 33.055 -99.200 -91.000 TRP 81 1.040 13.649 58.892 26.623 -99.200 -91.000 TRP6 81 1.020 12.830 61.062 27.081 -99.200 -91.000 HIS 85 0.900 1.277 58.670 23.561 -99.200 -91.000 TYR 86 0.840 2.927 55.964 26.944 -99.200 -91.000 PHE 89 1.000 8.368 52.209 27.858 -99.200 -91.000