NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position type subsubtype
7348 1ka7 5211 cing 1-original 2 chemical shift format 1


   1.N      119.230 1
  2.N      125.000 1
  2.HN       7.062 1
  2.CA      54.097 1
  2.HA       4.580 1
  2.CB      41.143 0
  2.HB2      2.505 1
  2.HB1      2.685 1
  2.C      174.432 1
  3.N      123.893 1
  3.HN       8.336 1
  3.CA      52.556 1
  3.HA       4.232 0
  3.CB      18.172 0
  3.HB1      1.350 1
  3.HB2      1.350 0
  3.HB3      1.350 1
  3.C      176.891 1
  4.N      119.446 1
  4.HN       7.916 0
  4.CA      60.623 0
  4.HA       4.295 1
  4.CB      33.370 0
  4.HB       2.052 1
  4.CG2     20.356 0
  4.HG21     0.696 0
  4.HG22     0.696 1
  4.HG23     0.696 0
  4.CG1     22.339 1
  4.HG11     0.772 1
  4.HG12     0.772 0
  4.HG13     0.772 1
  4.C      176.600 1
  5.N      123.210 1
  5.HN       7.871 0
  5.CA      55.070 1
  5.HA       4.211 1
  5.CB      18.669 1
  5.HB1      1.459 0
  5.HB2      1.459 1
  5.HB3      1.459 1
  5.C      177.930 0
  6.N      103.974 1
  6.HN       7.125 1
  6.CA      60.364 1
  6.HA       4.642 0
  6.CB      31.293 1
  6.HB       2.735 0
  6.CG2     18.453 0
  6.HG21     0.904 0
  6.HG22     0.904 0
  6.HG23     0.904 0
  6.CG1     22.210 1
  6.HG11     0.752 0
  6.HG12     0.752 0
  6.HG13     0.752 0
  6.C      174.262 1
  7.N      123.650 1
  7.HN       7.854 1
  7.CA      55.814 0
  7.HA       5.543 0
  7.CB      38.037 1
  7.HB2      2.752 1
  7.HB1      3.270 0
  7.CD1    132.165 0
  7.HD1      7.053 0
  7.CE1    118.702 0
  7.HE1      7.063 1
  7.CE2    118.702 1
  7.HE2      7.063 1
  7.CD2    132.165 1
  7.HD2      7.053 1
  7.C      175.165 1
  8.N      127.886 1
  8.HN       9.188 1
  8.CA      57.123 1
  8.HA       4.058 1
  8.CB      33.583 1
  8.HB2      2.606 1
  8.HB1      3.266 0
  8.C      174.591 1
  9.N      105.697 0
  9.HN       5.598 0
  9.CA      46.133 0
  9.HA2      3.388 0
  9.HA1      3.682 0
  9.C      174.277 0
 10.N      128.550 0
 10.HN       8.563 0
 10.CA      56.197 0
 10.HA       4.570 1
 10.CB      30.561 1
 10.HB2      1.708 0
 10.HB1      1.980 0
 10.CG      25.246 1
 10.HG2      1.483 0
 10.HG1      1.395 0
 10.CD      29.361 1
 10.HD2      1.833 0
 10.HD1      1.744 0
 10.CE      42.126 1
 10.HE2      3.044 0
 10.HE1      3.061 0
 10.C      176.452 1
 11.N      116.949 1
 11.HN       7.462 1
 11.CA      59.557 1
 11.HA       4.686 1
 11.CB      40.726 1
 11.HB       1.756 1
 11.CG1     25.783 0
 11.HG12     0.733 0
 11.HG11     1.420 0
 11.CD1     14.385 1
 11.HD11     0.588 0
 11.HD12     0.588 0
 11.HD13     0.588 0
 11.CG2     18.256 0
 11.HG21     1.087 0
 11.HG22     1.087 0
 11.HG23     1.087 0
 11.C      175.259 1
 12.N      118.085 1
 12.HN       8.705 1
 12.CA      56.987 1
 12.HA       4.371 1
 12.CB      65.302 1
 12.HB2      4.540 0
 12.HB1      4.060 0
 12.C      174.301 1
 13.N      122.460 1
 13.HN       9.028 1
 13.CA      59.240 1
 13.HA       3.835 1
 13.CB      30.560 1
 13.HB2      1.983 0
 13.HB1      1.983 0
 13.CG      26.268 1
 13.HG2      1.505 0
 13.HG1      1.615 0
 13.CD      43.347 1
 13.HD2      3.329 0
 13.HD1      3.329 0
 13.C      179.556 1
 14.N      119.682 1
 14.HN       8.945 1
 14.CA      59.863 1
 14.HA       3.839 1
 14.CB      29.601 1
 14.HB2      1.934 0
 14.HB1      2.067 0
 14.CG      36.806 1
 14.HG2      2.247 0
 14.HG1      2.247 0
 14.C      177.723 1
 15.N      119.550 1
 15.HN       8.205 1
 15.CA      67.616 1
 15.HA       4.290 1
 15.CB      66.895 1
 15.HB       3.810 1
 15.CG2     22.296 1
 15.HG21     1.201 0
 15.HG22     1.201 0
 15.HG23     1.201 0
 15.HG1    999.000 1
 15.C      175.978 1
 16.N      108.168 1
 16.HN       8.325 1
 16.CA      47.559 1
 16.HA2      3.415 0
 16.HA1      3.717 0
 16.C      174.277 1
 17.N      118.381 1
 17.HN       7.957 1
 17.CA      59.345 1
 17.HA       3.741 1
 17.CB      29.424 1
 17.HB2      2.314 0
 17.HB1      1.795 0
 17.CG      35.499 1
 17.HG2      1.861 0
 17.HG1      2.585 0
 17.C      177.964 1
 18.N      117.727 1
 18.HN       7.998 1
 18.CA      59.828 1
 18.HA       3.825 1
 18.CB      32.179 1
 18.HB2      1.902 0
 18.HB1      1.902 0
 18.CG      25.437 1
 18.HG2      1.385 0
 18.HG1      1.385 0
 18.CD      29.299 1
 18.HD2      1.656 0
 18.HD1      1.656 0
 18.CE      41.732 1
 18.HE2      2.905 0
 18.HE1      2.905 0
 18.C      179.806 1
 19.N      120.133 1
 19.HN       8.335 1
 19.CA      57.498 1
 19.HA       3.940 1
 19.CB      42.760 1
 19.HB2      1.735 0
 19.HB1      1.016 0
 19.CG      26.706 1
 19.HG       1.748 1
 19.CD1     26.349 0
 19.HD11     0.585 0
 19.HD12     0.585 0
 19.HD13     0.585 0
 19.CD2     22.586 0
 19.HD21     0.786 0
 19.HD22     0.786 0
 19.HD23     0.786 0
 19.C      179.423 1
 20.N      117.042 1
 20.HN       7.488 1
 20.CA      57.304 1
 20.HA       4.133 1
 20.CB      41.566 1
 20.HB2      1.899 0
 20.HB1      1.246 0
 20.CG      26.569 1
 20.HG       1.756 1
 20.CD1     27.063 0
 20.HD11     0.748 0
 20.HD12     0.748 0
 20.HD13     0.748 0
 20.CD2     22.945 0
 20.HD21     0.661 0
 20.HD22     0.661 0
 20.HD23     0.661 0
 20.C      179.409 1
 21.N      121.886 1
 21.HN       8.956 1
 21.CA      57.994 1
 21.HA       3.854 1
 21.CB      41.656 1
 21.HB2      1.415 0
 21.HB1      1.724 0
 21.CG      27.289 1
 21.HG       1.645 1
 21.CD1     25.485 0
 21.HD11     0.726 0
 21.HD12     0.726 0
 21.HD13     0.726 0
 21.CD2     23.001 0
 21.HD21     0.723 0
 21.HD22     0.723 0
 21.HD23     0.723 0
 21.C      179.470 1
 22.N      119.087 1
 22.HN       7.715 1
 22.CA      54.107 1
 22.HA       4.071 1
 22.CB      18.386 1
 22.HB1      1.469 0
 22.HB2      1.469 0
 22.HB3      1.469 0
 22.C      179.094 1
 23.N      109.009 1
 23.HN       7.438 1
 23.CA      64.149 1
 23.HA       4.095 1
 23.CB      69.421 1
 23.HB       4.150 1
 23.CG2     21.393 1
 23.HG21     1.447 0
 23.HG22     1.447 0
 23.HG23     1.447 0
 23.C      176.623 1
 24.N      106.519 1
 24.HN       7.302 1
 24.CA      46.474 1
 24.HA2      3.744 0
 24.HA1      3.924 0
 24.C      173.070 1
 25.N      121.198 1
 25.HN       7.391 1
 25.CA      52.879 1
 25.HA       4.671 1
 25.CB      43.919 1
 25.HB2      1.116 0
 25.HB1      1.116 0
 25.CG      25.732 1
 25.HG       1.275 1
 25.CD1     24.032 0
 25.HD11     0.290 0
 25.HD12     0.290 0
 25.HD13     0.290 0
 25.CD2     23.311 0
 25.HD21     0.440 0
 25.HD22     0.440 0
 25.HD23     0.440 0
 25.C      175.406 1
 26.N      128.565 1
 26.HN       8.887 1
 26.CA      55.659 1
 26.HA       4.654 1
 26.CB      40.498 1
 26.HB2      2.805 0
 26.HB1      2.805 0
 26.C      177.402 1
 27.N      108.860 1
 27.HN       9.952 1
 27.CA      45.221 1
 27.HA2      3.706 0
 27.HA1      4.628 0
 27.C      176.148 1
 28.N      121.790 1
 28.HN       8.325 1
 28.CA      58.973 1
 28.HA       6.370 1
 28.CB      63.609 1
 28.HB2      3.989 0
 28.HB1      3.989 0
 28.C      173.370 1
 29.N      118.811 1
 29.HN       8.271 1
 29.CA      55.919 1
 29.HA       6.267 1
 29.CB      43.524 1
 29.HB2      2.887 0
 29.HB1      2.887 0
 29.CD1    133.482 0
 29.HD1      7.458 0
 29.CE1    117.654 0
 29.HE1      6.521 0
 29.CE2    117.654 0
 29.HE2      6.521 0
 29.CD2    132.184 0
 29.HD2      6.532 0
 29.C      171.525 1
 30.N      112.360 1
 30.HN       8.833 1
 30.CA      54.119 1
 30.HA       4.737 1
 30.CB      44.174 1
 30.HB2      1.847 0
 30.HB1      2.217 0
 30.CG      26.091 1
 30.HG       1.600 1
 30.CD1     23.980 0
 30.HD11     0.636 0
 30.HD12     0.636 0
 30.HD13     0.636 0
 30.CD2     27.718 0
 30.HD21     0.310 0
 30.HD22     0.310 0
 30.HD23     0.310 0
 30.C      173.429 1
 31.N      122.211 1
 31.HN       8.935 1
 31.CA      53.183 1
 31.HA       5.799 1
 31.CB      48.070 1
 31.HB2      1.316 0
 31.HB1      1.860 0
 31.CG      27.289 1
 31.HG       1.645 1
 31.CD1     24.804 0
 31.HD11     0.851 0
 31.HD12     0.851 0
 31.HD13     0.851 0
 31.CD2     26.330 0
 31.HD21     0.609 0
 31.HD22     0.609 0
 31.HD23     0.609 0
 31.C      173.987 1
 32.N      121.336 1
 32.HN       8.970 1
 32.CA      53.687 1
 32.HA       5.420 1
 32.CB      33.665 1
 32.HB2      2.203 0
 32.HB1      1.645 0
 32.CG      26.270 1
 32.HG2      1.505 0
 32.HG1      1.615 0
 32.CD      42.555 1
 32.HD2      3.202 0
 32.HD1      2.568 0
 32.C      173.632 1
 33.N      125.103 1
 33.HN       8.686 1
 33.CA      55.892 1
 33.HA       4.758 1
 33.CB      40.050 1
 33.HB2      2.760 0
 33.HB1      2.600 0
 33.C      176.926 1
 34.N      116.858 1
 34.HN       8.320 1
 34.CA      57.773 1
 34.HA       4.844 1
 34.CB      63.620 1
 34.HB2      3.989 0
 34.HB1      3.853 0
 34.C      176.558 1
 35.N      130.957 1
 35.HN      11.357 1
 35.CA      57.804 1
 35.HA       4.310 1
 35.CB      30.934 1
 35.HB2      2.149 0
 35.HB1      2.251 0
 35.CG      37.480 1
 35.HG2      2.423 0
 35.HG1      2.523 0
 35.C      177.418 1
 36.N      112.965 1
 36.HN       8.315 1
 36.CA      59.249 1
 36.HA       4.567 1
 36.CB      64.918 1
 36.HB2      3.795 0
 36.HB1      3.795 0
 36.C      173.994 1
 37.N      124.546 1
 37.HN       7.960 1
 37.CA      59.309 1
 37.HA       4.505 1
 37.CB      33.234 1
 37.HB       1.903 1
 37.CG2     20.310 0
 37.HG21     0.789 0
 37.HG22     0.789 0
 37.HG23     0.789 0
 37.CG1     22.069 0
 37.HG11     0.888 0
 37.HG12     0.888 0
 37.HG13     0.888 0
 38.CA      63.448 1
 38.HA       4.360 1
 38.CB      31.721 1
 38.HB2      1.897 0
 38.HB1      2.316 0
 38.CG      27.665 1
 38.HG2      2.081 0
 38.HG1      2.081 0
 38.CD      50.431 1
 38.HD2      3.890 0
 38.HD1      3.638 0
 38.C      177.555 1
 39.N      111.692 1
 39.HN       8.527 1
 39.CA      45.350 1
 39.HA2      3.687 0
 39.HA1      4.207 0
 39.C      172.783 1
 40.N      120.255 1
 40.HN       7.440 1
 40.CA      60.947 1
 40.HA       4.620 1
 40.CB      33.234 1
 40.HB       2.153 1
 40.CG2     23.318 0
 40.HG21     0.952 0
 40.HG22     0.952 0
 40.HG23     0.952 0
 40.CG1     21.758 0
 40.HG11     1.115 0
 40.HG12     1.115 0
 40.HG13     1.115 0
 40.C      174.273 1
 41.N      125.024 1
 41.HN       9.306 1
 41.CA      56.528 1
 41.HA       5.222 1
 41.CB      41.395 1
 41.HB2      2.716 0
 41.HB1      3.000 0
 41.CD1    132.231 0
 41.HD1      7.134 0
 41.CE1    118.361 0
 41.HE1      6.907 0
 41.CE2    118.361 0
 41.HE2      6.907 0
 41.CD2    132.231 0
 41.HD2      7.134 0
 41.C      174.095 1
 42.N      119.454 1
 42.HN       9.936 1
 42.CA      57.400 1
 42.HA       5.065 1
 42.CB      29.439 1
 42.HB2      2.585 0
 42.HB1      2.730 0
 42.C      172.799 1
 43.N      131.118 1
 43.HN       9.533 1
 43.CA      54.305 1
 43.HA       5.020 1
 43.CB      42.976 1
 43.HB2      1.180 0
 43.HB1      2.371 0
 43.CG      27.483 1
 43.HG       1.531 1
 43.CD1     22.555 0
 43.HD11     0.823 0
 43.HD12     0.823 0
 43.HD13     0.823 0
 43.CD2     24.989 0
 43.HD21     0.578 0
 43.HD22     0.578 0
 43.HD23     0.578 0
 43.C      173.969 1
 44.N      128.229 1
 44.HN       9.180 1
 44.CA      57.586 1
 44.HA       5.171 1
 44.CB      30.014 1
 44.HB2      2.800 0
 44.HB1      2.360 0
 44.C      172.763 1
 45.N      123.845 1
 45.HN       9.560 1
 45.CA      59.307 1
 45.HA       5.415 1
 45.CB      35.911 1
 45.HB       2.039 1
 45.CG2     21.784 0
 45.HG21     0.960 0
 45.HG22     0.960 0
 45.HG23     0.960 0
 45.CG1     20.148 0
 45.HG11     1.046 0
 45.HG12     1.046 0
 45.HG13     1.046 0
 45.C      173.577 1
 46.N      129.893 1
 46.HN       8.704 1
 46.CA      54.778 1
 46.HA       5.019 1
 46.CB      43.954 1
 46.HB2      1.220 0
 46.HB1      2.228 0
 46.CG      27.024 1
 46.HG       1.762 1
 46.CD1     23.595 0
 46.HD11     0.756 0
 46.HD12     0.756 0
 46.HD13     0.756 0
 46.CD2     25.420 0
 46.HD21     0.745 0
 46.HD22     0.745 0
 46.HD23     0.745 0
 46.C      175.577 1
 47.N      126.783 1
 47.HN       9.718 1
 47.CA      58.111 1
 47.HA       4.830 1
 47.CB      40.162 1
 47.HB2      2.860 0
 47.HB1      3.000 0
 47.CD1    132.063 0
 47.HD1      6.797 0
 47.CE1    117.267 0
 47.HE1      6.530 0
 47.CE2    117.267 0
 47.HE2      6.530 0
 47.CD2    132.063 0
 47.HD2      6.797 0
 47.C      174.291 1
 48.N      126.825 1
 48.HN       9.847 1
 48.CA      54.541 1
 48.HA       4.210 1
 48.CB      26.920 1
 48.HB2      2.829 0
 48.HB1      3.350 0
 48.CD2    117.368 1
 48.HD2      6.882 0
 48.HE1    999.000 1
 48.HD1    999.000 0
 49.N      103.500 1
 49.HN       8.645 1
 49.CA      45.360 1
 49.HA2      3.320 0
 49.HA1      3.975 0
 49.C      171.332 1
 50.N      116.152 1
 50.HN       7.775 1
 50.CA      56.575 1
 50.HA       4.883 1
 50.CB      42.250 1
 50.HB2      2.880 0
 50.HB1      2.615 0
 50.CD1    132.705 0
 50.HD1      7.255 0
 50.CE1    117.263 0
 50.HE1      6.827 0
 50.CE2    117.263 0
 50.HE2      6.827 0
 50.CD2    132.705 0
 50.HD2      7.255 0
 50.C      173.213 1
 51.N      121.362 1
 51.HN       8.862 1
 51.CA      59.522 1
 51.HA       4.580 1
 51.CB      36.482 1
 51.HB       1.888 1
 51.CG1     31.331 0
 51.HG12     1.174 0
 51.HG11     1.446 0
 51.CD1     14.250 1
 51.HD11     0.760 0
 51.HD12     0.760 0
 51.HD13     0.760 0
 51.CG2     21.543 0
 51.HG21     0.642 0
 51.HG22     0.642 0
 51.HG23     0.642 0
 51.C      176.765 1
 52.N      133.935 1
 52.HN       9.555 1
 52.CA      59.331 1
 52.HA       4.625 1
 52.CB      38.661 1
 52.HB2      3.130 0
 52.HB1      2.510 0
 52.CD1    132.287 0
 52.HD1      7.108 0
 52.CE1    118.316 0
 52.HE1      7.168 0
 52.CZ     999.000 1
 52.HH     999.000 1
 52.CE2    118.316 0
 52.HE2      7.168 0
 52.CD2    132.287 0
 52.HD2      7.108 0
 52.C      175.337 1
 53.N      121.611 1
 53.HN       9.042 1
 53.CA      62.150 1
 53.HA       5.145 1
 53.CB      70.398 1
 53.HB       3.400 1
 53.CG2     20.665 1
 53.HG21     1.247 0
 53.HG22     1.247 0
 53.HG23     1.247 0
 53.C      171.846 1
 54.N      128.725 1
 54.HN       9.782 1
 54.CA      55.947 1
 54.HA       4.890 1
 54.CB      39.659 1
 54.HB2      2.929 0
 54.HB1      2.759 0
 54.CD1    132.700 0
 54.HD1      7.005 0
 54.CE1    116.878 0
 54.HE1      6.402 0
 54.CE2    116.878 0
 54.HE2      6.402 0
 54.CD2    132.700 0
 54.HD2      7.005 0
 54.C      175.713 1
 55.N      126.399 1
 55.HN       9.484 1
 55.CA      57.662 1
 55.HA       5.073 1
 55.CB      29.897 1
 55.HB2      1.995 0
 55.HB1      1.784 0
 55.CG      30.619 1
 55.HG2      1.774 0
 55.HG1      2.012 0
 55.CD      43.210 1
 55.HD2      3.133 0
 55.HD1      3.208 0
 55.C      176.286 1
 56.N      127.073 1
 56.HN       9.842 1
 56.CA      61.190 1
 56.HA       5.209 1
 56.CB      34.906 1
 56.HB       2.120 1
 56.CG2     21.585 0
 56.HG21     1.005 0
 56.HG22     1.005 0
 56.HG23     1.005 0
 56.CG1     22.509 0
 56.HG11     1.158 0
 56.HG12     1.158 0
 56.HG13     1.158 0
 56.C      173.910 1
 57.N      119.282 1
 57.HN       9.004 1
 57.CA      57.041 1
 57.HA       5.371 1
 57.CB      66.601 1
 57.HB2      4.008 0
 57.HB1      4.008 0
 57.C      172.169 1
 58.N      123.161 1
 58.HN       8.990 1
 58.CA      53.474 1
 58.HA       4.835 1
 58.CB      30.441 1
 58.HB2      0.590 0
 58.HB1      1.340 0
 58.CG      33.397 1
 58.HG2      0.691 0
 58.HG1      1.519 0
 58.NE2    111.797 1
 58.HE21     6.836 0
 58.HE22     6.776 0
 58.C      176.946 1
 59.N      116.245 1
 59.HN       8.799 1
 59.CA      60.453 1
 59.HA       4.522 1
 59.CB      71.023 1
 59.HB       4.570 1
 59.CG2     22.230 1
 59.HG21     1.244 0
 59.HG22     1.244 0
 59.HG23     1.244 0
 59.C      176.554 1
 60.N      120.871 1
 60.HN       9.287 1
 60.CA      58.786 1
 60.HA       4.144 1
 60.CB      29.085 1
 60.HB2      2.102 0
 60.HB1      2.102 0
 60.CG      36.123 1
 60.HG2      2.332 0
 60.HG1      2.332 0
 60.C      177.036 1
 61.N      107.059 1
 61.HN       7.545 1
 61.CA      61.296 1
 61.HA       4.350 1
 61.CB      68.816 1
 61.HB       4.451 1
 61.CG2     21.755 1
 61.HG21     1.136 0
 61.HG22     1.136 0
 61.HG23     1.136 0
 61.HG1    999.000 1
 61.C      175.378 1
 62.N      110.630 1
 62.HN       7.845 1
 62.CA      45.180 1
 62.HA2      3.557 0
 62.HA1      4.310 0
 62.C      173.831 1
 63.N      115.370 1
 63.HN       7.202 1
 63.CA      57.907 1
 63.HA       4.838 1
 63.CB      64.387 1
 63.HB2      3.706 0
 63.HB1      3.847 0
 63.C      172.041 1
 64.N      122.265 1
 64.HN       9.669 1
 64.CA      56.551 1
 64.HA       5.408 1
 64.CB      32.497 1
 64.HB2      3.056 0
 64.HB1      2.975 0
 64.CD1    126.698 0
 64.HD1      7.048 1
 64.NE1    129.684 1
 64.HE1     10.125 0
 64.CZ2    114.378 0
 64.HZ2      7.361 0
 64.CH2    124.147 1
 64.HH2      7.008 1
 64.CZ3    121.124 0
 64.HZ3      6.998 0
 64.CE3    119.044 0
 64.HE3      7.296 0
 64.C      176.339 1
 65.N      113.272 1
 65.HN       9.034 1
 65.CA      57.772 1
 65.HA       4.917 1
 65.CB      66.373 1
 65.HB2      3.650 0
 65.HB1      3.650 0
 65.C      172.115 1
 66.N      126.491 1
 66.HN       9.805 1
 66.CA      49.522 1
 66.HA       5.506 1
 66.CB      21.074 1
 66.HB1      1.305 0
 66.HB2      1.305 0
 66.HB3      1.305 0
 66.C      177.041 1
 67.N      123.116 1
 67.HN       8.615 1
 67.CA      58.673 1
 67.HA       4.160 1
 67.CB      30.100 1
 67.HB2      2.365 0
 67.HB1      2.469 0
 67.CG      36.972 1
 67.HG2      2.569 0
 67.HG1      2.344 0
 67.C      175.953 1
 68.N      124.278 1
 68.HN       8.915 1
 68.CA      62.632 1
 68.HA       4.733 1
 68.CB      72.056 1
 68.HB       3.865 1
 68.CG2     21.470 1
 68.HG21     1.240 0
 68.HG22     1.240 0
 68.HG23     1.240 0
 68.C      171.475 1
 69.N      130.197 1
 69.HN       8.570 1
 69.CA      50.794 1
 69.HA       4.370 1
 69.CB      17.707 1
 69.HB1      1.340 0
 69.HB2      1.340 0
 69.HB3      1.340 0
 70.CA      63.701 1
 70.HA       4.352 1
 70.CB      31.732 1
 70.HB2      1.895 0
 70.HB1      2.302 0
 70.CG      27.828 1
 70.HG2      2.080 0
 70.HG1      2.159 0
 70.CD      50.431 1
 70.HD2      3.640 0
 70.HD1      3.890 0
 70.C      177.512 1
 71.N      111.563 1
 71.HN       8.726 1
 71.CA      45.281 1
 71.HA2      4.147 0
 71.HA1      3.665 0
 71.C      173.344 1
 72.N      122.462 1
 72.HN       7.460 1
 72.CA      61.067 1
 72.HA       3.983 1
 72.CB      32.405 1
 72.HB       2.081 1
 72.CG2     22.579 0
 72.HG21     0.710 0
 72.HG22     0.710 0
 72.HG23     0.710 0
 72.CG1     20.967 0
 72.HG11     0.681 0
 72.HG12     0.681 0
 72.HG13     0.681 0
 72.C      175.372 1
 73.N      126.104 1
 73.HN       8.785 1
 73.CA      56.148 1
 73.HA       4.465 1
 73.CB      28.410 1
 73.HB2      3.148 0
 73.HB1      3.148 0
 73.CD2    119.604 1
 73.HD2      7.190 0
 73.C      174.355 1
 74.N      130.224 1
 74.HN       8.667 1
 74.CA      57.255 1
 74.HA       4.054 1
 74.CB      33.666 1
 74.HB2      1.448 0
 74.HB1      1.573 0
 74.CG      25.064 1
 74.HG2      1.020 0
 74.HG1      1.455 0
 74.CD      28.947 1
 74.HD2      1.678 0
 74.HD1      1.678 0
 74.CE      41.948 1
 74.HE2      3.029 0
 74.HE1      2.955 0
 74.C      174.743 1
 75.N      123.740 1
 75.HN       8.141 1
 75.CA      54.784 1
 75.HA       4.255 1
 75.CB      33.698 1
 75.HB2      1.452 0
 75.HB1      1.629 0
 75.CG      27.066 1
 75.HG2      1.678 0
 75.HG1      1.678 0
 75.CD      44.798 1
 75.HD2      3.192 0
 75.HD1      3.317 0
 75.C      174.003 1
 76.N      120.577 1
 76.HN       8.179 1
 76.CA      56.285 1
 76.HA       5.172 1
 76.CB      41.134 1
 76.HB2      2.610 0
 76.HB1      2.747 0
 76.CD1    132.490 0
 76.HD1      6.884 0
 76.CE1    117.354 0
 76.HE1      6.679 0
 76.CE2    117.354 0
 76.HE2      6.679 0
 76.CD2    132.490 0
 76.HD2      6.884 0
 76.C      175.342 1
 77.N      119.723 1
 77.HN       9.584 1
 77.CA      56.501 1
 77.HA       5.030 1
 77.CB      43.239 1
 77.HB2      2.651 0
 77.HB1      3.222 0
 77.CD1    131.252 0
 77.HD1      7.252 0
 77.CE1    999.000 0
 77.HE1    999.000 0
 77.CD2    131.252 0
 77.HD2      7.252 0
 77.C      175.976 1
 78.N      123.823 1
 78.HN       9.562 1
 78.CA      58.786 1
 78.HA       4.358 1
 78.CB      30.548 1
 78.HB2      2.036 0
 78.HB1      2.036 0
 78.CG      27.598 1
 78.HG2      1.897 0
 78.HG1      1.798 0
 78.CD      42.854 1
 78.HD2      3.294 0
 78.HD1      3.294 0
 78.C      175.740 1
 79.N      112.436 1
 79.HN       7.489 1
 79.CA      53.528 1
 79.HA       4.970 1
 79.CB      36.052 1
 79.HB2      1.612 0
 79.HB1      2.225 0
 79.CG      25.144 1
 79.HG2      1.490 0
 79.HG1      1.490 0
 79.CD      29.274 1
 79.HD2      1.732 0
 79.HD1      1.834 0
 79.CE      42.192 1
 79.HE2      3.053 0
 79.HE1      3.053 0
 79.C      177.191 1
 80.N      127.620 1
 80.HN       9.120 1
 80.CA      62.774 1
 80.HA       3.241 1
 80.CB      35.650 1
 80.HB       0.644 1
 80.CG1     28.329 0
 80.HG12     0.240 0
 80.HG11     0.435 0
 80.CD1     11.967 1
 80.HD11    -0.217 0
 80.HD12    -0.217 0
 80.HD13    -0.217 0
 80.CG2     17.929 0
 80.HG21     0.436 0
 80.HG22     0.436 0
 80.HG23     0.436 0
 80.C      177.586 1
 81.N      120.028 1
 81.HN       8.656 1
 81.CA      59.257 1
 81.HA       3.775 1
 81.CB      31.730 1
 81.HB2      1.810 0
 81.HB1      1.590 0
 81.CG      24.667 1
 81.HG2      1.342 0
 81.HG1      1.342 0
 81.CD      29.304 1
 81.HD2      1.661 0
 81.HD1      1.661 0
 81.CE      41.965 1
 81.HE2      2.951 0
 81.HE1      3.034 0
 81.C      177.541 1
 82.N      116.421 1
 82.HN       7.034 1
 82.CA      55.178 1
 82.HA       4.490 1
 82.CB      39.183 1
 82.HB2      3.090 0
 82.HB1      3.281 0
 82.ND2    110.965 1
 82.HD21     7.190 0
 82.HD22     7.990 0
 82.C      175.847 1
 83.N      125.153 1
 83.HN       6.825 1
 83.CA      58.408 1
 83.HA       2.000 1
 83.CB      41.463 1
 83.HB2      0.981 0
 83.HB1      1.639 0
 83.CG      27.133 1
 83.HG       1.231 1
 83.CD1     27.901 0
 83.HD11     0.887 0
 83.HD12     0.887 0
 83.HD13     0.887 0
 83.CD2     24.573 0
 83.HD21     0.506 0
 83.HD22     0.506 0
 83.HD23     0.506 0
 83.C      176.406 1
 84.N      117.873 1
 84.HN       7.671 1
 84.CA      64.506 1
 84.HA       3.125 1
 84.CB      37.066 1
 84.HB       1.721 1
 84.CG1     28.893 0
 84.HG12     0.856 0
 84.HG11     1.458 0
 84.CD1     12.801 1
 84.HD11     0.655 0
 84.HD12     0.655 0
 84.HD13     0.655 0
 84.CG2     17.176 0
 84.HG21     0.785 0
 84.HG22     0.785 0
 84.HG23     0.785 0
 84.C      176.961 1
 85.N      111.697 1
 85.HN       7.712 1
 85.CA      61.289 1
 85.HA       4.051 1
 85.CB      62.707 1
 85.HB2      3.820 0
 85.HB1      3.820 0
 85.C      177.373 1
 86.N      123.935 1
 86.HN       7.437 1
 86.CA      54.793 1
 86.HA       3.891 1
 86.CB      18.644 1
 86.HB1      1.114 0
 86.HB2      1.114 0
 86.HB3      1.114 0
 86.C      179.305 1
 87.N      112.122 1
 87.HN       7.139 1
 87.CA      58.176 1
 87.HA       4.511 1
 87.CB      36.964 1
 87.HB2      2.467 0
 87.HB1      3.252 0
 87.CD1    129.911 0
 87.HD1      6.921 0
 87.CE1    129.911 0
 87.HE1      7.115 0
 87.CE2    129.911 0
 87.HE2      7.115 0
 87.CD2    129.911 0
 87.HD2      6.921 0
 87.C      176.637 1
 88.N      120.849 1
 88.HN       7.538 1
 88.CA      56.718 1
 88.HA       4.446 1
 88.CB      29.285 1
 88.HB2      2.126 0
 88.HB1      2.248 0
 88.CG      33.635 1
 88.HG2      2.519 0
 88.HG1      2.763 0
 88.NE2    109.903 1
 88.HE21     6.463 0
 88.HE22     6.812 0
 88.C      175.904 1
 89.N      118.638 1
 89.HN       6.940 1
 89.CA      53.974 1
 89.HA       4.497 1
 89.CB      31.735 1
 89.HB2      1.774 0
 89.HB1      1.894 0
 89.CG      25.225 1
 89.HG2      1.506 0
 89.HG1      1.615 0
 89.CD      28.841 1
 89.HD2      1.691 0
 89.HD1      1.691 0
 89.CE      42.205 1
 89.HE2      2.978 0
 89.HE1      2.978 0
 90.CA      62.690 1
 90.HA       4.258 1
 90.CB      32.111 1
 90.HB2      1.822 0
 90.HB1      2.290 0
 90.CG      27.544 1
 90.HG2      2.053 0
 90.HG1      2.000 0
 90.CD      49.975 1
 90.HD2      3.574 0
 90.HD1      3.825 0
 90.C      177.375 1
 91.N      119.920 1
 91.HN       8.918 1
 91.CA      54.877 1
 91.HA       4.320 1
 91.CB      39.318 1
 91.HB2      2.965 0
 91.HB1      2.400 0
 91.C      174.293 1
 92.N      114.722 1
 92.HN       8.661 1
 92.CA      53.512 1
 92.HA       4.395 1
 92.CB      30.494 1
 92.HB2      2.044 0
 92.HB1      2.044 0
 92.CG      33.021 1
 92.HG2      2.487 0
 92.HG1      2.076 0
 92.NE2    115.335 1
 92.HE21     6.968 0
 92.HE22     6.726 0
 92.C      175.669 1
 93.N      105.910 1
 93.HN       8.693 1
 93.CA      45.983 1
 93.HA2      3.691 0
 93.HA1      4.360 0
 93.C      174.464 1
 94.N      112.284 1
 94.HN       7.648 1
 94.CA      59.583 1
 94.HA       4.820 1
 94.CB      40.456 1
 94.HB       1.411 1
 94.CG1     26.126 0
 94.HG12     0.673 0
 94.HG11     0.843 0
 94.CD1     14.978 1
 94.HD11     0.467 0
 94.HD12     0.467 0
 94.HD13     0.467 0
 94.CG2     18.084 0
 94.HG21    -0.170 0
 94.HG22    -0.170 0
 94.HG23    -0.170 0
 94.C      177.258 1
 95.N      115.559 1
 95.HN       7.090 1
 95.CA      64.739 1
 95.HA       3.360 1
 95.CB      31.138 1
 95.HB       1.114 1
 95.CG2     18.855 0
 95.HG21    -0.003 0
 95.HG22    -0.003 0
 95.HG23    -0.003 0
 95.CG1     20.354 0
 95.HG11     0.333 0
 95.HG12     0.333 0
 95.HG13     0.333 0
 95.C      172.954 1
 96.N      118.453 1
 96.HN       6.855 1
 96.CA      57.110 1
 96.HA       4.397 1
 96.CB      41.167 1
 96.HB       1.552 1
 96.CG1     28.917 0
 96.HG12     1.657 0
 96.HG11     1.325 0
 96.CD1     14.710 1
 96.HD11     1.100 0
 96.HD12     1.100 0
 96.HD13     1.100 0
 96.CG2     17.171 0
 96.HG21     0.770 0
 96.HG22     0.770 0
 96.HG23     0.770 0
 97.CA      62.509 1
 97.HA       4.287 1
 97.CB      31.517 1
 97.HB2      1.383 0
 97.HB1      1.820 0
 97.CG      28.963 1
 97.HG2      1.655 0
 97.HG1      1.893 0
 97.CD      51.297 1
 97.HD2      3.335 0
 97.HD1      3.795 0
 97.C      175.182 1
 98.N      117.705 1
 98.HN       7.360 1
 98.CA      54.478 1
 98.HA       3.621 1
 98.CB      37.642 1
 98.HB2     -0.426 0
 98.HB1      1.010 0
 98.CG      24.772 1
 98.HG       1.351 1
 98.CD1     26.947 0
 98.HD11     0.433 0
 98.HD12     0.433 0
 98.HD13     0.433 0
 98.CD2     21.446 0
 98.HD21     0.275 0
 98.HD22     0.275 0
 98.HD23     0.275 0
 98.C      176.272 1
 99.N      125.138 1
 99.HN       8.440 1
 99.CA      57.493 1
 99.HA       4.369 1
 99.CB      33.819 1
 99.HB2      1.335 0
 99.HB1      1.520 0
 99.CG      34.071 1
 99.HG2      1.780 0
 99.HG1      2.050 0
 99.NE2    110.981 1
 99.HE21     6.825 0
 99.HE22     7.065 0
100.N      119.096 1
100.HN       7.851 1
100.CA      54.100 1
100.HA       5.366 1
100.CB      39.567 1
100.HB2      2.873 0
100.HB1      3.086 0
100.CD1    133.477 0
100.HD1      7.051 0
100.CE1    117.791 0
100.HE1      6.893 0
100.CE2    117.791 0
100.HE2      6.873 0
100.CD2    133.477 0
100.HD2      7.051 0
101.CA      62.501 1
101.HA       3.080 1
101.CB      32.717 1
101.HB2      1.555 0
101.HB1      1.811 0
101.CG      26.829 1
101.HG2      2.022 0
101.HG1      2.166 0
101.CD      50.759 1
101.HD2      3.786 0
101.HD1      4.041 0
101.C      176.645 1
102.N      126.822 1
102.HN       8.229 1
102.CA      61.870 1
102.HA       4.161 1
102.CB      30.271 1
102.HB       1.989 1
102.CG2     22.474 0
102.HG21     0.962 0
102.HG22     0.962 0
102.HG23     0.962 0
102.CG1     21.171 0
102.HG11     0.804 0
102.HG12     0.804 0
102.HG13     0.804 0
102.C      175.338 1
103.N      126.374 1
103.HN       8.415 1
103.CA      55.989 1
103.HA       4.113 1
103.CB      30.689 1
103.HB2      1.809 0
103.HB1      1.809 0
103.CG      37.213 1
103.HG2      2.182 0
103.HG1      1.788 0
103.C      176.046 1
104.N      123.206 1
104.HN       7.870 1
104.CA      56.267 1
104.HA       3.674 1
104.CB      32.160 1
104.HB2      1.386 0
104.HB1      0.770 0
104.CG      24.347 1
104.HG2      1.135 0
104.HG1      1.135 0
104.CD      29.158 1
104.HD2      1.476 0
104.HD1      1.571 0
104.CE      42.051 1
104.HE2      2.910 0
104.HE1      2.910 0
104.C      175.760 1
105.N      126.108 1
105.HN       8.509 1
105.CA      55.786 1
105.HA       4.349 1
105.CB      33.097 1
105.HB2      1.823 0
105.HB1      1.742 0
105.CG      24.681 1
105.HG2      1.420 0
105.HG1      1.420 0
105.CD      28.854 1
105.HD2      1.694 0
105.HD1      1.694 0
105.CE      41.905 1
105.HE2      3.022 0
105.HE1      3.022 0
105.C      174.310 1
106.N      126.322 1
106.HN       7.990 1
106.CA      57.905 1
106.HA       4.520 1
106.CB      63.520 1
106.HB2      3.890 0
106.HB1      3.890 0
107.CA      57.963 1
107.HA       4.490 1
107.CB      63.596 1
107.HB2      3.901 0
107.HB1      3.901 0
107.C      173.952 1
108.N      126.197 1
108.HN       8.284 1
108.CA      52.346 1
108.HA       4.350 1
108.CB      18.910 1
108.HB1      1.403 0
108.HB2      1.403 0
108.HB3      1.403 0
108.C      177.347 1
109.N      120.343 1
109.HN       8.269 1
109.CA      55.796 1
109.HA       4.373 1
109.CB      30.633 1
109.HB2      1.830 0
109.HB1      1.902 0
109.CG      26.724 1
109.HG2      1.674 0
109.HG1      1.674 0
109.CD      43.034 1
109.HD2      3.228 0
109.HD1      3.228 0
109.C      176.158 1
110.N      117.246 1
110.HN       8.348 1
110.CA      57.923 1
110.HA       4.480 1
110.CB      63.633 1
110.HB2      3.883 0
110.HB1      3.883 0
110.C      174.311 1
111.N      118.414 1
111.HN       8.394 1
111.CA      61.578 1
111.HA       4.402 1
111.CB      69.345 1
111.HB       4.320 1
111.CG2     21.378 1
111.HG21     1.222 0
111.HG22     1.222 0
111.HG23     1.222 0
111.C      174.336 1
112.N      122.681 1
112.HN       8.357 1
112.CA      55.866 1
112.HA       4.391 1
112.CB      28.965 1
112.HB2      2.037 0
112.HB1      2.150 0
112.CG      33.531 1
112.HG2      2.406 0
112.HG1      2.406 0
112.C      176.056 1
113.N      110.418 1
113.HN       8.448 1
113.CA      45.061 1
113.HA2      5.405 0
113.HA1      0.995 0
113.C      174.075 1
114.N      113.637 1
114.HN       8.145 1
114.CA      61.526 1
114.HA       4.543 1
114.CB      69.511 1
114.HB       3.926 1
114.CG2     21.287 1
114.HG21     1.220 0
114.C      174.642 1
115.N      116.054 1
115.HN       8.217 1
115.CA      61.777 1
115.HA       4.409 1
115.CB      69.554 1
115.HB       4.272 1
115.CG2     21.283 1
115.HG21     1.247 0
115.HG22     1.247 0
115.HG23     1.247 0
115.C      174.705 1
116.N      111.525 1
116.HN       8.405 1
116.CA      44.984 1
116.HA2      3.995 0
116.HA1      3.995 0
116.C      173.500 1
117.N      120.500 1
117.HN       7.967 1
117.CA      60.733 1
117.HA       4.186 1
117.CB      38.501 1
117.HB       1.847 1
117.CG1     27.007 0
117.HG12     1.159 0
117.HG11     1.437 0
117.CD1     12.650 1
117.HD11     0.882 0
117.HD12     0.882 0
117.HD13     0.882 0
117.CG2     17.258 0
117.HG21     0.882 0
117.HG22     0.882 0
117.HG23     0.882 0
117.C      174.795 1
118.N      125.777 1
118.HN       8.402 1
118.CA      55.575 1
118.HA       4.386 1
118.CB      30.664 1
118.HB2      1.827 0
118.HB1      1.827 0
118.CG      26.689 1
118.HG2      1.634 0
118.HG1      1.634 0
118.CD      43.046 1
118.HD2      3.226 0
118.HD1      3.226 0
118.C      175.471 1
119.N      123.313 1
119.HN       8.461 1
119.CA      55.872 1
119.HA       4.316 1
119.CB      29.939 1
119.HB2      1.913 0
119.HB1      2.016 0
119.CG      35.987 1
119.HG2      2.243 0
119.HG1      2.243 0
119.C      175.259 1
120.N      123.406 1
120.HN       8.391 1
120.CA      51.959 1
120.HA       4.912 1
120.CB      40.963 1
120.HB2      2.521 0
120.HB1      2.775 0
121.CA      63.274 1
121.HA       4.431 1
121.CB      31.886 1
121.HB2      2.003 0
121.HB1      2.290 0
121.CG      26.824 1
121.HG2      2.003 0
121.HG1      2.003 0
121.CD      50.401 1
121.HD2      3.832 0
121.HD1      3.832 0
121.C      176.520 1
122.N      119.738 1
122.HN       8.407 1
122.CA      54.401 1
122.HA       4.628 1
122.CB      40.728 1
122.HB2      2.641 0
122.HB1      2.741 0
122.C      176.232 1
123.N      119.684 1
123.HN       7.821 1
123.CA      62.280 1
123.HA       4.511 1
123.CB      32.307 1
123.HB       2.156 1
123.CG2     20.648 0
123.HG21     0.966 0
123.HG22     0.966 0
123.HG23     0.966 0
123.CG1     20.648 0
123.HG11     0.966 0
123.HG12     0.966 0
123.HG13     0.966 0
123.C      175.664 1
124.N      122.481 1
124.HN       8.309 1
124.CA      58.383 1
124.HA       4.490 1
124.CB      27.436 1
124.HB2      2.933 0
124.HB1      2.933 0
124.C      176.272 1
125.N      125.205 1
125.HN       8.248 1
125.CA      54.940 1
125.HA       4.362 1
125.CB      42.003 1
125.HB2      1.631 0
125.HB1      1.631 0
125.CG      26.711 1
125.HG       1.631 1
125.CD1     24.708 0
125.HD11     0.900 0
125.HD12     0.900 0
125.HD13     0.900 0
125.CD2     23.184 0
125.HD21     0.900 0
125.HD22     0.900 0
125.HD23     0.900 0
125.C      176.566 1
126.N      122.719 1
126.HN       8.125 1
126.CA      55.530 1
126.HA       4.349 1
126.CB      32.941 1
126.HB2      1.800 0
126.HB1      1.800 0
126.CG      24.319 1
126.HG2      1.441 0
126.HG1      1.441 0
126.CD      28.810 1
126.HD2      1.707 0
126.HD1      1.707 0
126.CE      41.888 1
126.HE2      3.023 0
126.HE1      3.023 0
126.C      175.197 1
127.N      128.205 1
127.HN       8.263 1
127.CA      50.005 1
127.CB      17.957 1
131.HN       8.498 1
131.HA       4.613 1
131.HB2      3.835 0
131.HB1      4.041 0
132.HN       8.782 1
132.HA       4.613 1
132.HB2      1.750 0
132.HB1      1.570 0
132.HG       1.381 1
132.HD11     0.790 0
132.HD21     0.790 0
133.HN       7.676 1
133.HA       4.592 1
133.HB       3.738 1
133.HG21     0.442 0
133.HG22     0.442 0
133.HG23     0.442 0
134.HN       8.103 1
134.HA       3.921 1
134.HB       0.724 1
134.HG12     0.444 0
134.HG11     0.529 0
134.HD11     0.127 0
134.HD12     0.127 0
134.HD13     0.127 0
134.HG21     0.127 0
134.HG22     0.127 0
134.HG23     0.127 0
135.HN       8.591 1
135.HA       4.800 1
135.HB2      2.709 0
135.HB1      2.975 0
135.HD1      7.003 0
135.HE1      6.768 0
135.HE2      6.768 0
135.HD2      7.003 0
136.HN       8.438 1
136.HA       4.726 1
136.HB1      0.943 0
136.HB2      0.943 0
136.HB3      0.943 0
137.HN       8.356 1
137.HA       4.908 1
137.HB2      1.686 0
137.HB1      1.860 0
137.HG2      2.132 0
137.HG1      2.334 0
137.HE21     6.673 0
137.HE22     7.914 0
138.HN       9.625 1
138.HA       3.963 1
138.HB       2.242 1
138.HG21     1.419 0
138.HG11     0.776 0
139.HN       9.417 1
139.HA       4.273 1
139.HB2      1.689 0
139.HB1      1.831 0
139.HG2      2.510 0
139.HG1      2.698 0
139.HE21     7.228 0
140.HN       7.576 1
140.HA       4.192 1
140.HB2      1.691 0
140.HB1      1.789 0
140.HG2      1.243 0
140.HG1      1.114 0
140.HD2      1.445 0
140.HD1      1.445 0
140.HE2      2.893 0
140.HE1      3.036 0



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