============================================================================= 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. PHE 12 1.000 41.749 63.890 7.719 -99.200 -91.000 TYR 14 0.840 36.347 64.434 4.960 -99.200 -91.000 PHE 18 1.000 24.392 62.851 15.717 -99.200 -91.000 PHE 22 1.000 23.455 63.279 27.791 -99.200 -91.000 PHE 25 1.000 28.506 65.139 29.747 -99.200 -91.000 PHE 27 1.000 29.536 60.955 25.540 -99.200 -91.000 HIS 28 0.900 32.590 62.393 19.067 -99.200 -91.000 PHE 29 1.000 25.471 60.787 19.632 -99.200 -91.000 TYR 35 0.840 24.776 65.307 -0.108 -99.200 -91.000 TYR 39 0.840 19.432 67.514 4.144 -99.200 -91.000 HIS 45 0.900 25.801 52.279 14.599 -99.200 -91.000 TYR 48 0.840 16.235 51.344 16.420 -99.200 -91.000 TYR 51 0.840 13.842 58.021 14.007 -99.200 -91.000 HIS 84 0.900 17.772 52.436 3.728 -99.200 -91.000 PHE 87 1.000 19.531 50.828 11.764 -99.200 -91.000 TYR 89 0.840 15.824 46.373 16.138 -99.200 -91.000 PHE 107 1.000 29.777 74.150 2.829 -99.200 -91.000 HIS 121 0.900 34.627 54.262 -8.012 -99.200 -91.000 TRP 132 1.040 37.544 64.463 17.922 -99.200 -91.000 TRP6 132 1.020 36.308 65.273 16.093 -99.200 -91.000 TYR 162 0.840 33.825 40.752 11.374 -99.200 -91.000 TYR 201 0.840 35.540 57.727 -3.657 -99.200 -91.000 TRP 208 1.040 28.928 45.725 11.373 -99.200 -91.000 TRP6 208 1.020 29.867 43.555 11.348 -99.200 -91.000 TYR 210 0.840 35.539 39.517 18.652 -99.200 -91.000 TYR 217 0.840 37.863 38.259 14.492 -99.200 -91.000 TYR 221 0.840 35.036 51.342 8.157 -99.200 -91.000 TYR 226 0.840 26.959 47.976 -2.858 -99.200 -91.000 HIS 227 0.900 22.795 52.041 1.300 -99.200 -91.000 TRP 230 1.040 17.932 56.171 1.534 -99.200 -91.000 TRP6 230 1.020 19.021 57.403 3.215 -99.200 -91.000