============================================================================= 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 34 1.000 -7.772 6.997 68.638 -99.200 -91.000 TYR 49 0.840 -9.093 1.714 67.408 -99.200 -91.000 PHE 54 1.000 -3.450 -5.084 67.108 -99.200 -91.000 PHE 70 1.000 3.540 5.353 63.054 -99.200 -91.000 PHE 109 1.000 6.093 16.811 38.328 -99.200 -91.000 TYR 128 0.840 10.538 -1.067 61.445 -99.200 -91.000 TYR 129 0.840 12.958 -11.466 59.353 -99.200 -91.000 PHE 135 1.000 2.261 -7.918 56.635 -99.200 -91.000 TRP 138 1.040 6.552 3.621 49.666 -99.200 -91.000 TRP6 138 1.020 8.596 4.320 50.609 -99.200 -91.000 TYR 165 0.840 7.896 -0.911 50.324 -99.200 -91.000 HIS 191 0.900 -12.391 10.824 40.761 -99.200 -91.000 PHE 197 1.000 -10.330 0.505 32.553 -99.200 -91.000 HIS 205 0.900 2.681 0.109 31.341 -99.200 -91.000 PHE 208 1.000 2.442 -4.934 39.372 -99.200 -91.000 PHE 212 1.000 11.219 -6.843 33.732 -99.200 -91.000 PHE 218 1.000 6.871 -8.536 38.485 -99.200 -91.000 HIS 248 0.900 -11.342 -5.045 30.771 -99.200 -91.000 PHE 263 1.000 -9.179 -5.258 44.944 -99.200 -91.000 HIS 276 0.900 -17.901 -1.628 45.318 -99.200 -91.000 TRP 288 1.040 -3.435 -11.471 39.593 -99.200 -91.000 TRP6 288 1.020 -5.493 -10.672 38.764 -99.200 -91.000 PHE 292 1.000 -10.261 -8.994 54.601 -99.200 -91.000 TYR 294 0.840 -11.577 -3.921 52.442 -99.200 -91.000 TRP 306 1.040 -12.269 1.959 72.641 -99.200 -91.000 TRP6 306 1.020 -10.676 3.619 72.132 -99.200 -91.000 PHE 320 1.000 -11.478 -6.418 64.100 -99.200 -91.000 HIS 322 0.900 -21.840 -7.997 60.844 -99.200 -91.000 HIS 328 0.900 -13.561 -16.182 56.224 -99.200 -91.000 TRP 335 1.040 -21.564 -9.414 52.383 -99.200 -91.000 TRP6 335 1.020 -22.688 -7.933 50.927 -99.200 -91.000