============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 14 0.840 -24.689 -41.752 1.523 -99.200 -91.000 TYR 21 0.840 -44.069 -44.927 13.641 -99.200 -91.000 PHE 53 1.000 -57.763 -74.246 24.720 -99.200 -91.000 HIS 64 0.900 -64.273 -73.192 26.670 -99.200 -91.000 TYR 68 0.840 -53.854 -70.892 26.020 -99.200 -91.000 PHE 78 1.000 -48.136 -60.927 33.145 -99.200 -91.000 TYR 81 0.840 -40.917 -63.317 38.220 -99.200 -91.000 HIS 88 0.900 -54.134 -65.701 16.794 -99.200 -91.000 PHE 102 1.000 -56.796 -60.283 27.354 -99.200 -91.000 TYR 105 0.840 -54.882 -56.643 32.703 -99.200 -91.000 TYR 140 0.840 -45.728 -56.766 8.357 -99.200 -91.000 TYR 147 0.840 -52.088 -56.687 14.022 -99.200 -91.000 TYR 148 0.840 -47.649 -47.052 16.595 -99.200 -91.000 PHE 154 1.000 -43.303 -57.381 21.594 -99.200 -91.000 TRP 157 1.040 -42.145 -63.510 8.970 -99.200 -91.000 TRP6 157 1.020 -43.799 -62.548 7.583 -99.200 -91.000 TYR 161 0.840 -34.301 -70.941 7.868 -99.200 -91.000 PHE 175 1.000 -39.127 -67.119 -0.937 -99.200 -91.000 TYR 183 0.840 -41.003 -59.484 10.786 -99.200 -91.000 HIS 206 0.900 -30.842 -82.149 13.818 -99.200 -91.000 HIS 217 0.900 -25.140 -71.976 4.650 -99.200 -91.000 TRP 219 1.040 -29.468 -68.676 13.374 -99.200 -91.000 TRP6 219 1.020 -28.513 -69.233 15.463 -99.200 -91.000 HIS 229 0.900 -34.526 -56.501 2.008 -99.200 -91.000 TRP 233 1.040 -27.818 -54.061 11.878 -99.200 -91.000 TRP6 233 1.020 -28.407 -56.352 11.954 -99.200 -91.000 HIS 260 0.900 -17.935 -73.798 23.096 -99.200 -91.000 TYR 261 0.840 -21.322 -77.535 20.097 -99.200 -91.000 PHE 279 1.000 -30.856 -67.898 23.045 -99.200 -91.000 TYR 292 0.840 -30.585 -77.183 27.303 -99.200 -91.000 TYR 305 0.840 -25.196 -61.037 20.824 -99.200 -91.000 PHE 306 1.000 -32.140 -58.851 28.282 -99.200 -91.000 PHE 309 1.000 -38.079 -65.412 29.895 -99.200 -91.000 TYR 311 0.840 -37.779 -69.984 27.099 -99.200 -91.000 TRP 323 1.040 -57.436 -72.520 33.702 -99.200 -91.000 TRP6 323 1.020 -57.671 -72.374 31.353 -99.200 -91.000 PHE 337 1.000 -47.371 -66.983 33.270 -99.200 -91.000 HIS 339 0.900 -41.196 -72.926 40.235 -99.200 -91.000 TYR 352 0.840 -32.956 -73.194 36.733 -99.200 -91.000