============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 12 0.840 40.118 57.958 58.272 -99.200 -91.000 TYR 17 0.840 35.242 66.027 55.572 -99.200 -91.000 TYR 18 0.840 33.128 57.903 57.718 -99.200 -91.000 PHE 30 1.000 24.768 48.906 54.723 -99.200 -91.000 PHE 34 1.000 25.033 61.467 53.191 -99.200 -91.000 TRP 42 1.040 28.044 52.731 45.110 -99.200 -91.000 TRP6 42 1.020 29.811 51.838 46.405 -99.200 -91.000 TYR 52 0.840 35.250 41.315 43.796 -99.200 -91.000 TYR 57 0.840 40.024 43.764 55.929 -99.200 -91.000 HIS 58 0.900 34.611 48.817 53.086 -99.200 -91.000 PHE 61 1.000 19.874 45.664 52.425 -99.200 -91.000 TYR 69 0.840 15.323 42.658 48.463 -99.200 -91.000 HIS 71 0.900 14.576 40.052 41.786 -99.200 -91.000 TYR 80 0.840 31.192 56.378 41.795 -99.200 -91.000 PHE 88 1.000 22.244 42.342 42.971 -99.200 -91.000 PHE 105 1.000 19.646 49.389 48.327 -99.200 -91.000 PHE 116 1.000 35.168 51.633 45.793 -99.200 -91.000 PHE 121 1.000 33.611 56.225 51.258 -99.200 -91.000 PHE 129 1.000 20.836 69.126 39.191 -99.200 -91.000 PHE 141 1.000 17.323 67.080 48.666 -99.200 -91.000 PHE 155 1.000 22.026 68.887 48.003 -99.200 -91.000 PHE 157 1.000 27.090 68.007 51.344 -99.200 -91.000 TYR 158 0.840 30.967 72.923 59.502 -99.200 -91.000 TYR 159 0.840 32.340 67.992 53.355 -99.200 -91.000 HIS 179 0.900 28.766 74.925 62.130 -99.200 -91.000 TYR 180 0.840 25.118 80.615 56.928 -99.200 -91.000 PHE 184 1.000 24.479 80.632 52.337 -99.200 -91.000 HIS 185 0.900 28.222 87.098 48.558 -99.200 -91.000 TYR 186 0.840 22.221 82.069 47.008 -99.200 -91.000 TRP 195 1.040 24.674 69.547 42.287 -99.200 -91.000 TRP6 195 1.020 22.794 70.879 42.809 -99.200 -91.000 TYR 225 0.840 43.971 65.663 48.026 -99.200 -91.000 PHE 247 1.000 48.709 56.726 42.700 -99.200 -91.000 TYR 249 0.840 51.837 68.254 41.365 -99.200 -91.000 PHE 264 1.000 40.071 77.752 43.603 -99.200 -91.000 HIS 265 0.900 35.882 86.739 39.310 -99.200 -91.000 TYR 271 0.840 33.808 82.603 46.653 -99.200 -91.000 TYR 278 0.840 47.819 76.006 48.665 -99.200 -91.000 PHE 280 1.000 45.647 67.540 53.906 -99.200 -91.000 TYR 284 0.840 55.338 73.789 61.570 -99.200 -91.000 HIS 294 0.900 43.390 65.076 43.011 -99.200 -91.000 TRP 306 1.040 40.422 74.593 37.383 -99.200 -91.000 TRP6 306 1.020 42.218 74.440 38.916 -99.200 -91.000 PHE 312 1.000 35.705 77.103 47.132 -99.200 -91.000 PHE 316 1.000 35.432 80.301 50.760 -99.200 -91.000 TYR 317 0.840 26.627 75.859 55.765 -99.200 -91.000 PHE 320 1.000 26.133 71.507 46.569 -99.200 -91.000 PHE 329 1.000 30.581 78.159 46.445 -99.200 -91.000