============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 4 1.000 39.213 23.484 52.203 -99.200 -91.000 TYR 7 0.840 37.495 11.776 49.511 -99.200 -91.000 TYR 14 0.840 40.362 12.869 39.981 -99.200 -91.000 PHE 15 1.000 37.678 16.256 43.881 -99.200 -91.000 PHE 19 1.000 45.339 20.649 45.643 -99.200 -91.000 PHE 23 1.000 40.494 20.045 42.448 -99.200 -91.000 TRP 25 1.040 34.828 22.701 40.224 -99.200 -91.000 TRP6 25 1.020 32.859 23.859 39.606 -99.200 -91.000 TYR 31 0.840 18.866 25.960 39.003 -99.200 -91.000 PHE 36 1.000 19.290 24.521 30.371 -99.200 -91.000 HIS 40 0.900 37.189 25.432 33.313 -99.200 -91.000 TYR 51 0.840 38.892 27.098 45.752 -99.200 -91.000 PHE 60 1.000 18.900 30.378 36.283 -99.200 -91.000 TRP 74 1.040 21.556 25.695 46.927 -99.200 -91.000 TRP6 74 1.020 20.383 25.011 44.992 -99.200 -91.000 TYR 82 0.840 29.464 7.332 37.448 -99.200 -91.000 HIS 103 0.900 11.871 21.576 49.510 -99.200 -91.000 HIS 109 0.900 23.524 16.696 33.868 -99.200 -91.000 TYR 112 0.840 33.920 16.882 40.522 -99.200 -91.000 PHE 126 1.000 28.146 4.832 42.228 -99.200 -91.000 HIS 127 0.900 33.701 8.386 45.878 -99.200 -91.000 PHE 128 1.000 26.312 6.241 47.308 -99.200 -91.000 HIS 131 0.900 29.405 17.920 48.612 -99.200 -91.000 HIS 143 0.900 30.136 43.164 51.514 -99.200 -91.000 TYR 144 0.840 24.958 37.249 48.786 -99.200 -91.000 TYR 147 0.840 28.930 24.622 57.782 -99.200 -91.000 TYR 154 0.840 33.363 2.473 49.506 -99.200 -91.000 HIS 163 0.900 28.543 -6.433 45.071 -99.200 -91.000 HIS 164 0.900 33.926 -1.933 49.306 -99.200 -91.000