============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 5 1.000 -11.813 -5.318 34.424 -99.200 -91.000 TYR 7 0.840 -4.575 -7.242 40.866 -99.200 -91.000 TRP 9 1.040 1.216 -5.860 41.750 -99.200 -91.000 TRP6 9 1.020 2.456 -5.002 39.928 -99.200 -91.000 PHE 14 1.000 8.863 0.150 44.233 -99.200 -91.000 PHE 16 1.000 15.537 -4.000 51.419 -99.200 -91.000 PHE 30 1.000 -6.041 -6.889 36.607 -99.200 -91.000 TRP 37 1.040 -8.141 -7.315 31.523 -99.200 -91.000 TRP6 37 1.020 -7.829 -5.766 29.763 -99.200 -91.000 TYR 53 0.840 9.613 10.520 35.310 -99.200 -91.000 TYR 57 0.840 4.157 0.723 29.826 -99.200 -91.000 PHE 72 1.000 -4.865 2.695 30.179 -99.200 -91.000 PHE 74 1.000 -2.371 1.909 34.792 -99.200 -91.000 TYR 93 0.840 -5.082 4.963 24.414 -99.200 -91.000 PHE 95 1.000 -5.470 -2.418 26.576 -99.200 -91.000 TRP 101 1.040 -2.811 0.390 24.243 -99.200 -91.000 TRP6 101 1.020 -1.793 1.984 22.810 -99.200 -91.000 PHE 103 1.000 -1.043 6.658 32.169 -99.200 -91.000 PHE 106 1.000 1.392 5.719 38.040 -99.200 -91.000 PHE 111 1.000 5.866 12.061 45.572 -99.200 -91.000 PHE 128 1.000 -8.436 0.546 43.071 -99.200 -91.000