============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 8 1.000 18.054 34.849 51.724 -99.200 -91.000 PHE 24 1.000 34.387 36.901 72.582 -99.200 -91.000 PHE 37 1.000 19.938 34.799 64.075 -99.200 -91.000 TYR 50 0.840 34.873 49.011 69.703 -99.200 -91.000 TYR 52 0.840 43.650 51.904 64.370 -99.200 -91.000 PHE 57 1.000 46.216 49.011 61.764 -99.200 -91.000 PHE 59 1.000 43.753 43.677 62.886 -99.200 -91.000 TRP 68 1.040 31.082 31.252 69.877 -99.200 -91.000 TRP6 68 1.020 29.117 31.910 68.765 -99.200 -91.000 HIS 77 0.900 28.194 42.917 56.319 -99.200 -91.000 HIS 79 0.900 28.227 48.030 61.319 -99.200 -91.000 TRP 83 1.040 29.143 54.771 60.659 -99.200 -91.000 TRP6 83 1.020 28.689 53.818 62.755 -99.200 -91.000 HIS 84 0.900 28.560 59.514 60.359 -99.200 -91.000 TYR 87 0.840 30.041 55.260 68.249 -99.200 -91.000 TRP 92 1.040 43.617 56.927 61.166 -99.200 -91.000 TRP6 92 1.020 42.090 57.362 59.412 -99.200 -91.000 PHE 100 1.000 40.989 61.850 56.836 -99.200 -91.000 PHE 104 1.000 39.703 56.364 53.726 -99.200 -91.000 HIS 107 0.900 40.812 52.063 59.265 -99.200 -91.000 HIS 114 0.900 43.582 40.305 61.319 -99.200 -91.000 PHE 115 1.000 39.632 41.538 60.635 -99.200 -91.000 TRP 122 1.040 35.482 43.751 55.027 -99.200 -91.000 TRP6 122 1.020 35.875 44.476 57.232 -99.200 -91.000 PHE 130 1.000 21.725 66.488 55.394 -99.200 -91.000 TYR 145 0.840 27.628 61.923 47.713 -99.200 -91.000 PHE 150 1.000 36.054 58.760 57.295 -99.200 -91.000 TYR 151 0.840 31.481 65.658 50.644 -99.200 -91.000 PHE 154 1.000 39.897 60.691 50.429 -99.200 -91.000 TYR 159 0.840 33.838 59.407 51.930 -99.200 -91.000 PHE 164 1.000 32.220 50.387 48.099 -99.200 -91.000 TYR 177 0.840 26.732 43.593 50.578 -99.200 -91.000 TYR 178 0.840 26.488 53.736 50.735 -99.200 -91.000 PHE 181 1.000 20.604 56.584 59.257 -99.200 -91.000 PHE 212 1.000 17.857 49.328 50.518 -99.200 -91.000 HIS 215 0.900 18.597 50.071 62.549 -99.200 -91.000 TYR 220 0.840 7.501 56.535 57.886 -99.200 -91.000 TYR 255 0.840 10.407 59.603 65.588 -99.200 -91.000 TYR 263 0.840 1.525 48.794 72.750 -99.200 -91.000 TYR 283 0.840 11.192 41.436 62.807 -99.200 -91.000 TYR 290 0.840 16.536 40.306 50.790 -99.200 -91.000 TRP 305 1.040 22.186 46.617 65.159 -99.200 -91.000 TRP6 305 1.020 23.955 45.956 63.746 -99.200 -91.000 TRP 313 1.040 19.645 50.182 67.649 -99.200 -91.000 TRP6 313 1.020 19.710 52.349 66.706 -99.200 -91.000 TYR 315 0.840 14.626 46.344 76.966 -99.200 -91.000 HIS 317 0.900 11.777 53.913 70.154 -99.200 -91.000 TRP 323 1.040 8.535 45.112 74.775 -99.200 -91.000 TRP6 323 1.020 7.187 47.044 74.828 -99.200 -91.000 PHE 327 1.000 15.164 34.018 69.327 -99.200 -91.000 TYR 337 0.840 12.331 31.814 65.400 -99.200 -91.000