============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 7 0.900 38.749 31.277 12.625 -99.200 -91.000 PHE 21 1.000 41.731 17.150 26.150 -99.200 -91.000 TYR 22 0.840 41.583 21.009 22.633 -99.200 -91.000 PHE 28 1.000 45.385 21.042 18.666 -99.200 -91.000 TRP 34 1.040 42.241 36.866 24.580 -99.200 -91.000 TRP6 34 1.020 42.320 35.320 22.818 -99.200 -91.000 TYR 39 0.840 43.795 33.794 18.585 -99.200 -91.000 TRP 46 1.040 43.735 30.366 14.571 -99.200 -91.000 TRP6 46 1.020 43.061 32.250 13.364 -99.200 -91.000 TYR 55 0.840 30.033 25.009 25.677 -99.200 -91.000 TYR 62 0.840 24.514 10.687 14.829 -99.200 -91.000 HIS 64 0.900 32.752 12.876 14.509 -99.200 -91.000 TYR 65 0.840 34.452 19.907 16.654 -99.200 -91.000 PHE 67 1.000 41.771 17.440 16.731 -99.200 -91.000 PHE 74 1.000 44.074 4.297 16.736 -99.200 -91.000 PHE 77 1.000 45.975 10.575 20.657 -99.200 -91.000 HIS 84 0.900 47.928 11.080 30.510 -99.200 -91.000 TRP 89 1.040 33.068 10.972 21.081 -99.200 -91.000 TRP6 89 1.020 31.723 10.923 19.127 -99.200 -91.000 PHE 99 1.000 41.086 7.138 22.403 -99.200 -91.000 TYR 100 0.840 35.176 7.668 16.596 -99.200 -91.000 PHE 101 1.000 40.529 12.480 21.908 -99.200 -91.000 HIS 107 0.900 33.476 21.865 22.434 -99.200 -91.000 HIS 112 0.900 40.081 7.994 10.288 -99.200 -91.000 TYR 128 0.840 29.894 4.066 4.509 -99.200 -91.000 PHE 133 1.000 31.369 5.790 -4.135 -99.200 -91.000