============================================================================= 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. TRP 5 1.040 91.300 57.123 115.691 -99.200 -91.000 TRP6 5 1.020 91.772 55.611 113.956 -99.200 -91.000 PHE 18 1.000 92.178 27.783 126.254 -99.200 -91.000 PHE 22 1.000 90.386 44.584 123.518 -99.200 -91.000 PHE 33 1.000 87.263 47.792 109.030 -99.200 -91.000 TYR 38 0.840 97.742 43.815 109.908 -99.200 -91.000 TYR 46 0.840 101.728 43.043 130.319 -99.200 -91.000 TYR 50 0.840 97.626 33.923 131.794 -99.200 -91.000 TYR 53 0.840 94.110 36.788 132.153 -99.200 -91.000 PHE 59 1.000 83.163 30.285 127.067 -99.200 -91.000 TRP 63 1.040 90.617 29.238 130.932 -99.200 -91.000 TRP6 63 1.020 92.031 31.104 130.764 -99.200 -91.000 TRP 68 1.040 92.035 29.232 136.793 -99.200 -91.000 TRP6 68 1.020 90.847 31.052 135.897 -99.200 -91.000 TYR 82 0.840 95.870 40.940 118.776 -99.200 -91.000 TYR 86 0.840 78.533 45.531 108.654 -99.200 -91.000 PHE 104 1.000 100.242 20.220 130.122 -99.200 -91.000 TRP 111 1.040 100.800 25.928 132.078 -99.200 -91.000 TRP6 111 1.020 99.224 26.006 130.314 -99.200 -91.000 TYR 123 0.840 97.728 45.842 128.521 -99.200 -91.000 PHE 125 1.000 92.112 36.150 126.820 -99.200 -91.000 TYR 137 0.840 98.750 49.246 110.399 -99.200 -91.000 PHE 140 1.000 92.356 37.134 103.942 -99.200 -91.000 HIS 141 0.900 92.228 44.315 101.513 -99.200 -91.000 TYR 150 0.840 85.089 33.780 102.922 -99.200 -91.000 HIS 165 0.900 82.047 44.961 102.318 -99.200 -91.000 PHE 167 1.000 76.396 36.319 101.613 -99.200 -91.000 TYR 178 0.840 83.439 30.910 108.218 -99.200 -91.000 TRP 179 1.040 82.729 24.353 103.959 -99.200 -91.000 TRP6 179 1.020 81.761 22.224 104.147 -99.200 -91.000 TYR 180 0.840 85.430 28.533 113.626 -99.200 -91.000 PHE 189 1.000 84.439 32.505 118.225 -99.200 -91.000 TYR 190 0.840 81.693 36.431 116.372 -99.200 -91.000 PHE 194 1.000 79.234 33.408 110.394 -99.200 -91.000 PHE 201 1.000 71.757 37.737 101.413 -99.200 -91.000 PHE 204 1.000 76.825 32.162 104.808 -99.200 -91.000 PHE 206 1.000 78.908 28.783 110.352 -99.200 -91.000 HIS 207 0.900 77.974 23.114 105.299 -99.200 -91.000 TRP 219 1.040 78.776 17.682 116.049 -99.200 -91.000 TRP6 219 1.020 77.912 19.868 115.940 -99.200 -91.000 TYR 222 0.840 78.937 17.924 107.352 -99.200 -91.000 PHE 225 1.000 92.960 16.419 111.734 -99.200 -91.000 HIS 227 0.900 92.684 18.083 106.255 -99.200 -91.000 TYR 231 0.840 88.705 14.816 98.892 -99.200 -91.000 TYR 234 0.840 80.755 22.632 98.040 -99.200 -91.000 HIS 238 0.900 82.466 22.444 92.864 -99.200 -91.000 TYR 246 0.840 89.424 26.395 97.349 -99.200 -91.000 TYR 247 0.840 88.480 34.932 99.262 -99.200 -91.000 PHE 269 1.000 92.669 34.781 96.579 -99.200 -91.000 PHE 270 1.000 97.383 30.840 105.904 -99.200 -91.000 PHE 273 1.000 95.004 35.552 112.651 -99.200 -91.000