============================================================================= 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. TYR 10 0.840 5.999 47.734 94.400 -99.200 -91.000 PHE 13 1.000 11.385 51.986 84.332 -99.200 -91.000 TYR 31 0.840 9.735 54.807 92.866 -99.200 -91.000 TYR 34 0.840 12.327 58.046 101.991 -99.200 -91.000 HIS 49 0.900 19.250 47.613 99.072 -99.200 -91.000 HIS 56 0.900 10.365 51.939 105.344 -99.200 -91.000 TYR 60 0.840 8.050 55.104 112.166 -99.200 -91.000 HIS 61 0.900 7.013 50.272 104.612 -99.200 -91.000 TRP 70 1.040 17.893 51.195 104.301 -99.200 -91.000 TRP6 70 1.020 19.929 52.305 103.853 -99.200 -91.000 TRP 71 1.040 22.014 55.887 106.531 -99.200 -91.000 TRP6 71 1.020 23.093 56.544 104.529 -99.200 -91.000 TYR 74 0.840 23.265 59.344 109.623 -99.200 -91.000 PHE 81 1.000 22.180 61.425 102.680 -99.200 -91.000 TYR 86 0.840 19.791 68.461 99.508 -99.200 -91.000 PHE 87 1.000 11.988 63.079 94.491 -99.200 -91.000 HIS 107 0.900 8.999 31.183 84.529 -99.200 -91.000 TYR 114 0.840 11.407 34.770 86.375 -99.200 -91.000 PHE 118 1.000 16.423 38.004 88.775 -99.200 -91.000 PHE 120 1.000 24.506 33.438 88.740 -99.200 -91.000 PHE 143 1.000 23.593 68.413 95.805 -99.200 -91.000 TRP 158 1.040 24.041 55.229 90.207 -99.200 -91.000 TRP6 158 1.020 22.781 56.510 88.671 -99.200 -91.000 TYR 162 0.840 24.219 55.058 83.561 -99.200 -91.000 HIS 178 0.900 32.645 42.062 98.595 -99.200 -91.000 PHE 185 1.000 33.720 36.485 107.463 -99.200 -91.000 TRP 199 1.040 19.884 24.774 96.500 -99.200 -91.000 TRP6 199 1.020 19.548 27.074 96.094 -99.200 -91.000 TYR 204 0.840 13.974 28.609 97.894 -99.200 -91.000 HIS 221 0.900 22.175 38.912 112.311 -99.200 -91.000 TYR 224 0.840 26.706 45.860 114.717 -99.200 -91.000 PHE 234 1.000 34.436 34.217 121.499 -99.200 -91.000 PHE 248 1.000 29.319 26.424 122.666 -99.200 -91.000 TYR 253 0.840 18.626 29.952 121.494 -99.200 -91.000 TYR 256 0.840 16.404 30.425 113.378 -99.200 -91.000 PHE 261 1.000 7.452 33.377 111.681 -99.200 -91.000 PHE 265 1.000 16.471 40.041 105.420 -99.200 -91.000 TYR 270 0.840 23.832 35.327 101.560 -99.200 -91.000 TYR 272 0.840 19.870 34.732 91.334 -99.200 -91.000 HIS 279 0.900 31.587 36.366 90.187 -99.200 -91.000 TYR 280 0.840 31.734 47.109 90.828 -99.200 -91.000 PHE 299 1.000 34.332 60.179 92.932 -99.200 -91.000 TYR 304 0.840 31.922 54.856 109.106 -99.200 -91.000 TRP 308 1.040 36.090 43.304 112.213 -99.200 -91.000 TRP6 308 1.020 35.379 41.323 111.149 -99.200 -91.000 TYR 310 0.840 32.314 46.145 102.657 -99.200 -91.000 PHE 330 1.000 36.435 67.845 99.608 -99.200 -91.000 TYR 331 0.840 40.046 58.223 103.907 -99.200 -91.000 HIS 340 0.900 29.994 46.764 106.784 -99.200 -91.000 PHE 343 1.000 26.488 51.823 106.067 -99.200 -91.000 PHE 357 1.000 30.515 65.717 99.266 -99.200 -91.000