============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. HIS 3 0.900 49.358 55.353 61.064 -99.200 -91.000 TYR 25 0.840 38.032 30.913 49.370 -99.200 -91.000 TYR 26 0.840 39.650 29.483 45.021 -99.200 -91.000 HIS 37 0.900 45.903 28.601 60.996 -99.200 -91.000 PHE 41 1.000 28.193 30.627 61.235 -99.200 -91.000 HIS 46 0.900 35.555 31.835 60.247 -99.200 -91.000 HIS 53 0.900 47.883 29.486 56.501 -99.200 -91.000 PHE 55 1.000 36.102 34.242 54.463 -99.200 -91.000 HIS 59 0.900 39.010 28.430 57.288 -99.200 -91.000 TYR 81 0.840 15.459 35.680 49.030 -99.200 -91.000 HIS 87 0.900 35.274 43.596 53.120 -99.200 -91.000 PHE 94 1.000 27.522 34.612 44.922 -99.200 -91.000 PHE 116 1.000 29.692 43.780 44.543 -99.200 -91.000 HIS 129 0.900 9.978 32.908 50.106 -99.200 -91.000 HIS 146 0.900 33.853 48.365 61.252 -99.200 -91.000 TYR 156 0.840 21.047 30.202 58.536 -99.200 -91.000 HIS 199 0.900 18.615 22.337 43.195 -99.200 -91.000 PHE 209 1.000 16.415 47.865 51.093 -99.200 -91.000 TYR 240 0.840 20.272 47.547 47.337 -99.200 -91.000 TRP 241 1.040 23.217 55.129 49.682 -99.200 -91.000 TRP6 241 1.020 21.300 56.147 50.680 -99.200 -91.000 HIS 247 0.900 11.051 54.223 42.586 -99.200 -91.000 TYR 248 0.840 11.587 56.427 46.532 -99.200 -91.000 PHE 263 1.000 36.696 48.096 50.227 -99.200 -91.000 PHE 265 1.000 36.805 53.709 47.840 -99.200 -91.000 HIS 266 0.900 40.595 61.010 52.977 -99.200 -91.000 PHE 291 1.000 26.857 66.964 49.484 -99.200 -91.000 PHE 295 1.000 22.252 59.987 53.416 -99.200 -91.000 TYR 301 0.840 25.701 50.659 51.659 -99.200 -91.000 HIS 304 0.900 22.740 54.728 61.641 -99.200 -91.000 HIS 316 0.900 25.982 63.169 70.956 -99.200 -91.000 TYR 317 0.840 20.198 59.515 63.039 -99.200 -91.000 TYR 324 0.840 10.562 62.339 62.500 -99.200 -91.000 PHE 326 1.000 9.063 54.501 69.394 -99.200 -91.000 HIS 328 0.900 7.112 63.724 63.699 -99.200 -91.000 TRP 332 1.040 5.158 52.420 64.127 -99.200 -91.000 TRP6 332 1.020 7.354 53.021 64.734 -99.200 -91.000 PHE 365 1.000 19.337 44.831 65.492 -99.200 -91.000 TRP 367 1.040 20.330 40.471 73.961 -99.200 -91.000 TRP6 367 1.020 19.533 38.541 75.026 -99.200 -91.000 PHE 368 1.000 17.655 46.166 70.625 -99.200 -91.000 PHE 373 1.000 8.838 37.241 62.458 -99.200 -91.000 PHE 377 1.000 12.234 45.378 71.622 -99.200 -91.000 PHE 379 1.000 15.671 53.185 66.877 -99.200 -91.000 PHE 389 1.000 13.021 53.408 60.833 -99.200 -91.000 PHE 392 1.000 5.661 55.690 56.784 -99.200 -91.000 TRP 397 1.040 13.035 47.880 55.377 -99.200 -91.000 TRP6 397 1.020 11.953 48.065 53.277 -99.200 -91.000 HIS 423 0.900 14.863 67.906 65.304 -99.200 -91.000 TYR 424 0.840 22.700 64.874 71.571 -99.200 -91.000 PHE 431 1.000 15.362 65.431 78.586 -99.200 -91.000 TYR 436 0.840 29.171 56.060 76.357 -99.200 -91.000 TRP 492 1.040 24.724 55.155 82.295 -99.200 -91.000 TRP6 492 1.020 26.078 53.731 80.932 -99.200 -91.000 PHE 493 1.000 30.293 50.921 87.649 -99.200 -91.000 TYR 504 0.840 38.725 45.822 84.139 -99.200 -91.000 TYR 507 0.840 30.980 49.343 77.477 -99.200 -91.000 PHE 511 1.000 22.139 62.733 80.451 -99.200 -91.000 HIS 516 0.900 28.635 62.896 88.367 -99.200 -91.000