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
7344 1ka6 5212 cing 1-original 2 chemical shift format 1


  1.C      174.606 0
  2.N      125.351 0
  2.CA      54.205 0
  2.HA       4.547 1
  2.CB      41.056 0
  2.HB2      2.491 1
  2.HB1      2.662 1
  2.C      174.601 1
  3.N      123.511 1
  3.HN       8.322 1
  3.CA      52.578 0
  3.HA       4.209 1
  3.CB      18.050 0
  3.HB1      1.335 1
  3.HB2      1.335 1
  3.HB3      1.335 0
  3.C      176.782 0
  4.N      119.471 1
  4.HN       7.889 0
  4.CA      60.838 0
  4.HA       4.240 1
  4.CB      33.103 1
  4.HB       2.013 1
  4.CG2     20.434 1
  4.HG21     0.668 1
  4.HG22     0.668 1
  4.HG23     0.668 0
  4.CG1     22.219 1
  4.HG11     0.755 0
  4.HG12     0.755 0
  4.HG13     0.755 1
  4.C      176.622 1
  5.N      123.084 1
  5.HN       7.858 1
  5.CA      55.048 0
  5.HA       4.199 0
  5.CB      18.707 0
  5.HB1      1.443 0
  5.HB2      1.443 0
  5.HB3      1.443 1
  5.C      177.935 0
  6.N      103.608 1
  6.HN       7.120 0
  6.CA      60.567 1
  6.HA       4.625 0
  6.CB      31.114 1
  6.HB       2.736 1
  6.CG2     18.526 0
  6.HG21     0.910 1
  6.HG22     0.910 1
  6.HG23     0.910 1
  6.CG1     22.258 1
  6.HG11     0.752 0
  6.HG12     0.752 0
  6.HG13     0.752 1
  6.C      174.302 0
  7.N      123.524 1
  7.HN       7.829 0
  7.CA      55.978 0
  7.HA       5.477 0
  7.CB      38.005 0
  7.HB2      3.214 0
  7.HB1      2.725 0
  7.CD1    132.367 1
  7.HD1      7.000 0
  7.CE1    118.827 1
  7.HE1      7.010 1
  7.CE2    118.827 1
  7.HE2      7.010 1
  7.CD2    132.367 1
  7.HD2      7.000 0
  7.C      175.117 1
  8.N      127.881 1
  8.HN       9.110 1
  8.CA      57.181 1
  8.HA       4.029 1
  8.CB      33.519 1
  8.HB2      3.240 1
  8.HB1      2.621 1
  8.CD2     94.171 1
  8.HD2      7.673 1
  8.C      174.594 0
  9.N      105.598 1
  9.HN       5.555 1
  9.CA      46.107 1
  9.HA2      3.368 0
  9.HA1      3.686 0
  9.C      174.137 0
 10.N      128.623 1
 10.HN       8.545 1
 10.CA      56.021 1
 10.HA       4.583 1
 10.CB      30.664 1
 10.HB2      1.976 0
 10.HB1      1.699 0
 10.CG      25.262 1
 10.HG2      1.401 0
 10.HG1      1.491 0
 10.CD      29.465 1
 10.HD2      1.752 0
 10.HD1      1.752 0
 10.CE      42.207 1
 10.HE2      3.084 0
 10.HE1      3.084 0
 10.C      176.540 1
 11.N      116.797 1
 11.HN       7.457 1
 11.CA      59.618 1
 11.HA       4.665 1
 11.CB      40.760 1
 11.HB       1.756 1
 11.CG1     25.718 0
 11.HG12     1.401 0
 11.HG11     0.747 0
 11.CD1     14.287 1
 11.HD11     0.574 0
 11.HD12     0.574 0
 11.HD13     0.574 0
 11.CG2     18.290 0
 11.HG21     1.068 0
 11.HG22     1.068 0
 11.HG23     1.068 0
 11.C      175.325 1
 12.N      117.826 1
 12.HN       8.685 1
 12.CA      57.017 1
 12.HA       4.478 1
 12.CB      65.421 1
 12.HB2      4.067 0
 12.HB1      4.067 0
 12.C      174.782 1
 13.N      121.663 1
 13.HN       8.879 1
 13.CA      59.209 1
 13.HA       3.813 1
 13.CB      30.316 1
 13.HB2      2.037 0
 13.HB1      1.887 0
 13.CG      26.565 1
 13.HG2      1.636 0
 13.HG1      1.549 0
 13.CD      43.462 1
 13.HD2      3.318 0
 13.HD1      3.318 0
 13.NE     142.665 1
 13.HE       7.674 1
 13.C      179.820 1
 14.N      119.313 1
 14.HN       9.096 1
 14.CA      59.783 1
 14.HA       3.881 1
 14.CB      29.409 1
 14.HB2      1.948 0
 14.HB1      2.045 0
 14.CG      36.949 1
 14.HG2      2.307 0
 14.HG1      2.307 0
 14.C      177.988 1
 15.N      119.600 1
 15.HN       8.152 1
 15.CA      67.776 1
 15.HA       4.291 1
 15.CB      66.915 1
 15.HB       3.822 1
 15.CG2     22.209 1
 15.HG21     1.193 0
 15.HG22     1.193 0
 15.HG23     1.193 0
 15.HG1    999.000 1
 15.C      176.117 1
 16.N      107.881 1
 16.HN       8.179 1
 16.CA      47.568 1
 16.HA2      3.408 0
 16.HA1      3.760 0
 16.C      174.369 1
 17.N      118.169 1
 17.HN       7.902 1
 17.CA      59.355 1
 17.HA       3.706 1
 17.CB      29.152 1
 17.HB2      2.360 0
 17.HB1      1.761 0
 17.CG      35.389 1
 17.HG2      1.883 0
 17.HG1      2.521 0
 17.C      177.951 1
 18.N      117.563 1
 18.HN       7.994 1
 18.CA      59.902 1
 18.HA       3.828 1
 18.CB      32.037 1
 18.HB2      1.847 0
 18.HB1      1.920 0
 18.CG      25.711 1
 18.HG2      1.665 0
 18.HG1      1.414 0
 18.CD      29.250 1
 18.HD2      1.636 0
 18.HD1      1.636 0
 18.CE      42.107 1
 18.HE2      2.925 0
 18.HE1      2.925 0
 18.C      179.931 1
 19.N      119.918 1
 19.HN       8.191 1
 19.CA      57.577 1
 19.HA       3.941 1
 19.CB      42.732 1
 19.HB2      1.723 0
 19.HB1      0.998 0
 19.CG      26.302 1
 19.HG       1.742 1
 19.CD1     26.347 0
 19.HD11     0.556 0
 19.HD12     0.556 0
 19.HD13     0.556 0
 19.CD2     22.563 0
 19.HD21     0.782 0
 19.HD22     0.782 0
 19.HD23     0.782 0
 19.C      179.425 1
 20.N      117.114 1
 20.HN       7.496 1
 20.CA      57.411 1
 20.HA       4.114 1
 20.CB      41.604 1
 20.HB2      1.875 0
 20.HB1      1.257 0
 20.CG      26.529 1
 20.HG       1.742 1
 20.CD1     27.117 0
 20.HD11     0.715 0
 20.HD12     0.715 0
 20.HD13     0.715 0
 20.CD2     22.932 0
 20.HD21     0.650 0
 20.HD22     0.650 0
 20.HD23     0.650 0
 20.C      179.402 1
 21.N      121.712 1
 21.HN       8.985 1
 21.CA      58.004 1
 21.HA       3.830 1
 21.CB      41.715 1
 21.HB2      1.728 0
 21.HB1      1.386 0
 21.CG      27.409 1
 21.HG       1.620 1
 21.CD1     25.514 0
 21.HD11     0.716 0
 21.HD12     0.716 0
 21.HD13     0.716 0
 21.CD2     23.057 0
 21.HD21     0.729 0
 21.HD22     0.729 0
 21.HD23     0.729 0
 21.C      179.448 1
 22.N      119.032 1
 22.HN       7.686 1
 22.CA      54.222 1
 22.HA       4.058 1
 22.CB      18.381 1
 22.HB1      1.458 0
 22.HB2      1.458 0
 22.HB3      1.458 0
 22.C      179.212 1
 23.N      109.333 1
 23.HN       7.419 1
 23.CA      64.314 1
 23.HA       4.091 1
 23.CB      69.415 1
 23.HB       4.141 1
 23.CG2     21.425 1
 23.HG21     1.401 0
 23.HG22     1.401 0
 23.HG23     1.401 0
 23.HG1    999.000 1
 23.C      176.706 1
 24.N      106.409 1
 24.HN       7.356 1
 24.CA      46.547 1
 24.HA2      3.700 0
 24.HA1      3.907 0
 24.C      173.180 1
 25.N      120.797 1
 25.HN       7.295 1
 25.CA      52.934 1
 25.HA       4.613 1
 25.CB      43.936 1
 25.HB2      1.104 0
 25.HB1      1.104 0
 25.CG      25.685 1
 25.HG       1.272 1
 25.CD1     24.184 0
 25.HD11     0.194 0
 25.HD12     0.194 0
 25.HD13     0.194 0
 25.CD2     23.054 0
 25.HD21     0.523 0
 25.HD22     0.523 0
 25.HD23     0.523 0
 25.C      175.759 1
 26.N      127.752 1
 26.HN       8.888 1
 26.CA      55.703 1
 26.HA       4.763 1
 26.CB      40.622 1
 26.HB2      2.778 0
 26.HB1      2.778 0
 26.C      177.601 1
 27.N      108.486 1
 27.HN       9.979 1
 27.CA      45.187 1
 27.HA2      4.621 0
 27.HA1      3.632 0
 27.C      176.386 1
 28.N      121.801 1
 28.HN       8.330 1
 28.CA      59.165 1
 28.HA       6.323 1
 28.CB      63.704 1
 28.HB2      3.983 0
 28.HB1      3.983 0
 28.C      173.456 1
 29.N      118.412 1
 29.HN       8.279 1
 29.CA      56.009 1
 29.HA       6.271 1
 29.CB      43.658 1
 29.HB2      2.887 0
 29.HB1      2.887 0
 29.CD1    134.029 0
 29.HD1      7.438 0
 29.CE1    117.400 0
 29.HE1      6.502 0
 29.CE2    117.440 0
 29.HE2      6.307 0
 29.CD2    132.458 0
 29.HD2      6.508 0
 29.C      171.617 1
 30.N      112.084 1
 30.HN       8.751 1
 30.CA      54.280 1
 30.HA       4.722 1
 30.CB      44.088 1
 30.HB2      1.891 0
 30.HB1      2.263 0
 30.CG      26.090 1
 30.HG       1.578 1
 30.CD1     24.148 0
 30.HD11     0.618 0
 30.HD12     0.618 0
 30.HD13     0.618 0
 30.CD2     27.765 0
 30.HD21     0.302 0
 30.HD22     0.302 0
 30.HD23     0.302 0
 30.C      173.917 1
 31.N      121.318 1
 31.HN       8.972 1
 31.CA      53.367 1
 31.HA       5.932 1
 31.CB      48.000 1
 31.HB2      1.437 0
 31.HB1      1.762 0
 31.CG      27.548 1
 31.HG       1.656 1
 31.CD1     25.461 0
 31.HD11     0.783 0
 31.HD12     0.783 0
 31.HD13     0.783 0
 31.CD2     25.754 0
 31.HD21     0.640 0
 31.HD22     0.640 0
 31.HD23     0.640 0
 31.C      174.540 1
 32.N      119.531 1
 32.HN       8.989 1
 32.CA      53.601 1
 32.HA       5.406 1
 32.CB      33.833 1
 32.HB2      2.135 0
 32.HB1      1.677 0
 32.CG      26.678 1
 32.HG2      1.583 0
 32.HG1      1.436 0
 32.CD      42.729 1
 32.HD2      3.205 0
 32.HD1      2.597 0
 32.NE     145.595 1
 32.HE       8.258 1
 32.C      174.054 1
 33.N      124.715 1
 33.HN       8.607 1
 33.CA      56.092 1
 33.HA       4.916 1
 33.CB      39.825 1
 33.HB2      2.818 0
 33.HB1      2.694 0
 33.C      177.540 1
 34.N      117.670 1
 34.HN       8.501 1
 34.CA      58.561 1
 34.HA       4.788 1
 34.CB      63.804 1
 34.HB2      3.843 0
 34.HB1      4.037 0
 34.C      176.983 1
 35.N      130.648 1
 35.HN      11.130 1
 35.CA      57.607 1
 35.HA       4.399 1
 35.CB      30.912 1
 35.HB2      2.195 0
 35.HB1      2.195 0
 35.CG      37.898 1
 35.HG2      2.404 0
 35.HG1      2.404 0
 35.C      177.008 1
 36.N      113.938 1
 36.HN       8.204 1
 36.CA      59.765 1
 36.HA       4.518 1
 36.CB      64.634 1
 36.HB2      3.628 0
 36.HB1      3.628 0
 36.C      173.756 1
 37.N      124.476 1
 37.HN       7.968 1
 37.CA      59.114 1
 37.HA       4.488 1
 37.CB      33.171 1
 37.HB       1.865 1
 37.CG2     19.757 0
 37.HG21     0.720 0
 37.HG22     0.720 0
 37.HG23     0.720 0
 37.CG1     22.144 0
 37.HG11     0.894 0
 37.HG12     0.894 0
 37.HG13     0.894 0
 37.C      172.978 1
 38.N      113.434 1
 38.CA      63.344 1
 38.HA       4.356 1
 38.CB      31.919 1
 38.HB2      1.870 0
 38.HB1      2.267 0
 38.CG      27.485 1
 38.HG2      2.074 0
 38.HG1      2.074 0
 38.CD      50.908 1
 38.HD2      3.747 0
 38.HD1      3.679 0
 38.C      177.648 1
 39.N      111.055 1
 39.HN       8.469 1
 39.CA      45.708 1
 39.HA2      3.687 0
 39.HA1      4.106 0
 39.C      172.764 1
 40.N      118.990 1
 40.HN       7.264 1
 40.CA      60.777 1
 40.HA       4.493 1
 40.CB      34.069 1
 40.HB       2.202 1
 40.CG2     23.384 0
 40.HG21     0.980 0
 40.HG22     0.980 0
 40.HG23     0.980 0
 40.CG1     22.036 0
 40.HG11     1.171 0
 40.HG12     1.171 0
 40.HG13     1.171 0
 40.C      174.332 1
 41.N      123.980 1
 41.HN       8.893 1
 41.CA      56.597 1
 41.HA       5.335 1
 41.CB      41.630 1
 41.HB2      2.715 0
 41.HB1      3.079 0
 41.CD1    132.321 0
 41.HD1      7.101 0
 41.CE1    118.506 0
 41.HE1      6.859 0
 41.CE2    118.506 0
 41.HE2      6.859 0
 41.CD2    132.321 0
 41.HD2      7.101 0
 41.C      174.399 1
 42.N      118.062 1
 42.HN      10.077 1
 42.CA      56.889 1
 42.HA       5.235 1
 42.CB      30.181 1
 42.HB2      2.555 0
 42.HB1      2.691 0
 42.C      173.017 1
 43.N      129.375 1
 43.HN       9.619 1
 43.CA      54.389 1
 43.HA       4.933 1
 43.CB      43.491 1
 43.HB2      2.261 0
 43.HB1      1.186 0
 43.CG      27.405 1
 43.HG       1.542 1
 43.CD1     22.553 0
 43.HD11     0.805 0
 43.HD12     0.805 0
 43.HD13     0.805 0
 43.CD2     25.439 0
 43.HD21     0.601 0
 43.HD22     0.601 0
 43.HD23     0.601 0
 43.C      173.967 1
 44.N      127.021 1
 44.HN       9.114 1
 44.CA      57.578 1
 44.HA       5.026 1
 44.CB      30.016 1
 44.HB2      2.297 0
 44.HB1      2.809 0
 44.C      172.890 1
 45.N      123.988 1
 45.HN       9.509 1
 45.CA      59.754 1
 45.HA       5.340 1
 45.CB      35.919 1
 45.HB       2.129 1
 45.CG2     21.621 0
 45.HG21     0.978 0
 45.HG22     0.978 0
 45.HG23     0.978 0
 45.CG1     20.588 0
 45.HG11     1.035 0
 45.HG12     1.035 0
 45.HG13     1.035 0
 45.C      173.927 1
 46.N      129.672 1
 46.HN       8.714 1
 46.CA      54.999 1
 46.HA       5.024 1
 46.CB      43.954 1
 46.HB2      1.208 0
 46.HB1      2.227 0
 46.CG      27.126 1
 46.HG       1.728 1
 46.CD1     23.680 0
 46.HD11     0.748 0
 46.HD12     0.748 0
 46.HD13     0.748 0
 46.CD2     25.480 0
 46.HD21     0.721 0
 46.HD22     0.721 0
 46.HD23     0.721 0
 46.C      175.681 1
 47.N      126.680 1
 47.HN       9.735 1
 47.CA      58.412 1
 47.HA       4.848 1
 47.CB      40.300 1
 47.HB2      2.829 0
 47.HB1      2.971 0
 47.CD1    132.352 0
 47.HD1      6.813 0
 47.CE1    117.397 0
 47.HE1      6.514 0
 47.CE2    117.397 0
 47.HE2      6.514 0
 47.CD2    132.352 0
 47.HD2      6.813 0
 47.C      174.425 1
 48.N      126.916 1
 48.HN       9.841 1
 48.CA      54.656 1
 48.HA       4.192 1
 48.CB      26.861 1
 48.HB2      2.828 0
 48.HB1      3.351 0
 48.CD2    117.566 1
 48.HD2      6.879 0
 48.CE1    999.000 1
 48.HE1    999.000 1
 48.C      175.003 1
 49.N      103.141 1
 49.HN       8.552 1
 49.CA      45.466 1
 49.HA2      3.313 0
 49.HA1      3.991 0
 49.C      171.407 1
 50.N      116.181 1
 50.HN       7.798 1
 50.CA      56.850 1
 50.HA       4.859 1
 50.CB      42.289 1
 50.HB2      2.948 0
 50.HB1      2.635 0
 50.CD1    132.993 0
 50.HD1      7.281 0
 50.CE1    117.523 0
 50.HE1      6.856 0
 50.CE2    117.523 0
 50.HE2      6.856 0
 50.CD2    132.993 0
 50.HD2      7.281 0
 50.C      173.488 1
 51.N      121.303 1
 51.HN       8.917 1
 51.CA      59.928 1
 51.HA       4.671 1
 51.CB      36.527 1
 51.HB       1.914 1
 51.CG1     31.641 0
 51.HG12     1.163 0
 51.HG11     1.421 0
 51.CD1     14.320 1
 51.HD11     0.746 0
 51.HD12     0.746 0
 51.HD13     0.746 0
 51.CG2     21.654 0
 51.HG21     0.596 0
 51.HG22     0.596 0
 51.HG23     0.596 0
 51.C      176.888 1
 52.N      134.390 1
 52.HN       9.568 1
 52.CA      59.819 1
 52.HA       4.393 1
 52.CB      38.584 1
 52.HB2      3.131 0
 52.HB1      2.756 0
 52.CD1    132.560 0
 52.HD1      7.178 0
 52.CE1    118.337 0
 52.HE1      7.147 0
 52.CE2    118.337 0
 52.HE2      7.147 0
 52.CD2    132.560 0
 52.HD2      7.178 0
 52.C      175.008 1
 53.N      120.789 1
 53.HN       8.773 1
 53.CA      61.518 1
 53.HA       5.195 1
 53.CB      69.803 1
 53.HB       2.715 1
 53.CG2     22.551 1
 53.HG21     0.927 0
 53.HG22     0.927 0
 53.HG23     0.927 0
 53.HG1    999.000 1
 53.C      171.749 1
 54.N      126.801 1
 54.HN       9.405 1
 54.CA      55.812 1
 54.HA       4.980 1
 54.CB      40.038 1
 54.HB2      2.768 0
 54.HB1      2.863 0
 54.CD1    133.518 0
 54.HD1      7.137 0
 54.CE1    117.694 0
 54.HE1      6.725 0
 54.CE2    117.694 0
 54.HE2      6.725 0
 54.CD2    133.518 0
 54.HD2      7.216 0
 54.C      175.824 1
 55.N      126.007 1
 55.HN       9.729 1
 55.CA      58.087 1
 55.HA       5.165 1
 55.CB      29.954 1
 55.HB2      2.045 0
 55.HB1      1.725 0
 55.CG      30.156 1
 55.HG2      2.127 0
 55.HG1      1.920 0
 55.CD      43.505 1
 55.HD2      3.304 0
 55.HD1      3.035 0
 55.NE     145.528 1
 55.HE       8.083 1
 55.C      176.142 1
 56.N      126.814 1
 56.HN       9.678 1
 56.CA      61.483 1
 56.HA       5.173 1
 56.CB      34.895 1
 56.HB       2.047 1
 56.CG2     21.533 0
 56.HG21     0.989 0
 56.HG22     0.989 0
 56.HG23     0.989 0
 56.CG1     22.321 0
 56.HG11     1.118 0
 56.HG12     1.118 0
 56.HG13     1.118 0
 56.C      173.916 1
 57.N      119.797 1
 57.HN       8.929 1
 57.CA      56.483 1
 57.HA       5.395 1
 57.CB      67.031 1
 57.HB2      3.922 0
 57.HB1      3.987 0
 57.C      172.328 1
 58.N      122.774 1
 58.HN       8.686 1
 58.CA      53.622 1
 58.HA       4.786 1
 58.CB      30.239 1
 58.HB2      0.527 0
 58.HB1      1.324 0
 58.CG      33.460 1
 58.HG2      1.504 0
 58.HG1      0.709 0
 58.NE2    111.385 1
 58.HE21     6.772 0
 58.HE22     6.772 0
 58.C      177.091 1
 59.N      116.362 1
 59.HN       8.857 1
 59.CA      60.599 1
 59.HA       4.488 1
 59.CB      71.171 1
 59.HB       4.572 1
 59.CG2     22.050 1
 59.HG21     1.205 0
 59.HG22     1.205 0
 59.HG23     1.205 0
 59.HG1    999.000 1
 59.C      176.647 1
 60.N      120.568 1
 60.HN       9.277 1
 60.CA      58.770 1
 60.HA       4.136 1
 60.CB      29.125 1
 60.HB2      2.087 0
 60.HB1      2.087 0
 60.CG      36.159 1
 60.HG2      2.316 0
 60.HG1      2.316 0
 60.C      177.112 1
 61.N      106.864 1
 61.HN       7.532 1
 61.CA      61.337 1
 61.HA       4.360 1
 61.CB      68.877 1
 61.HB       4.454 1
 61.CG2     21.789 1
 61.HG21     1.137 0
 61.HG22     1.137 0
 61.HG23     1.137 0
 61.HG1    999.000 1
 61.C      175.485 1
 62.N      110.534 1
 62.HN       7.840 1
 62.CA      45.226 1
 62.HA2      3.534 0
 62.HA1      4.291 0
 62.C      173.978 1
 63.N      115.524 1
 63.HN       7.195 1
 63.CA      57.937 1
 63.HA       4.795 1
 63.CB      64.422 1
 63.HB2      3.842 0
 63.HB1      3.718 0
 63.C      171.985 1
 64.N      122.067 1
 64.HN       9.690 1
 64.CA      56.540 1
 64.HA       5.421 1
 64.CB      32.466 1
 64.HB2      2.905 0
 64.HB1      3.028 0
 64.CD1    126.487 0
 64.HD1      7.027 1
 64.NE1    129.233 1
 64.HE1     10.097 0
 64.CZ2    114.471 0
 64.HZ2      7.407 0
 64.CH2    124.396 1
 64.HH2      7.125 1
 64.CZ3    121.335 0
 64.HZ3      7.077 0
 64.CE3    119.553 0
 64.HE3      7.308 0
 64.C      176.339 1
 65.N      113.608 1
 65.HN       9.069 1
 65.CA      57.516 1
 65.HA       4.971 1
 65.CB      66.440 1
 65.HB2      3.580 0
 65.HB1      3.625 0
 65.C      172.358 1
 66.N      125.772 1
 66.HN       9.629 1
 66.CA      49.781 1
 66.HA       5.479 1
 66.CB      21.111 1
 66.HB1      1.277 0
 66.HB2      1.277 0
 66.HB3      1.277 0
 66.C      176.396 1
 67.N      123.772 1
 67.HN       8.737 1
 67.CA      55.664 1
 67.HA       4.618 1
 67.CB      29.362 1
 67.HB2      2.083 0
 67.HB1      2.421 0
 67.CG      36.437 1
 67.HG2      2.334 0
 67.HG1      2.334 0
 67.C      175.698 1
 68.N      115.154 1
 68.HN       7.990 1
 68.CA      61.197 1
 68.HA       4.508 1
 68.CB      69.807 1
 68.HB       4.447 1
 68.CG2     22.143 1
 68.HG21     1.037 0
 68.HG22     1.037 0
 68.HG23     1.037 0
 68.HG1    999.000 1
 68.C      173.742 1
 69.N      123.643 1
 69.HN       8.466 1
 69.CA      50.999 1
 69.HA       4.658 1
 69.CB      18.259 1
 69.HB1      1.451 0
 69.HB2      1.451 0
 69.HB3      1.451 0
 69.C      175.170 1
 70.N      109.356 1
 70.CA      63.985 1
 70.HA       4.426 1
 70.CB      31.688 1
 70.HB2      1.925 0
 70.HB1      2.347 0
 70.CG      27.783 1
 70.HG2      2.138 0
 70.HG1      2.064 0
 70.CD      50.357 1
 70.HD2      3.676 0
 70.HD1      3.902 0
 70.C      177.540 1
 71.N      110.988 1
 71.HN       8.816 1
 71.CA      45.384 1
 71.HA2      4.139 0
 71.HA1      3.744 0
 71.C      173.978 1
 72.N      120.213 1
 72.HN       7.554 1
 72.CA      61.597 1
 72.HA       4.098 1
 72.CB      32.792 1
 72.HB       2.053 1
 72.CG2     21.211 0
 72.HG21     0.837 0
 72.HG22     0.837 0
 72.HG23     0.837 0
 72.CG1     21.066 0
 72.HG11     0.871 0
 72.HG12     0.871 0
 72.HG13     0.871 0
 72.C      175.632 1
 73.N      126.238 1
 73.HN       8.629 1
 73.CA      55.900 1
 73.HA       4.534 1
 73.CB      29.496 1
 73.HB2      3.074 0
 73.HB1      3.074 0
 73.CD2    119.369 1
 73.HD2      7.055 0
 73.C      174.290 1
 74.N      126.340 1
 74.HN       8.487 1
 74.CA      56.936 1
 74.HA       4.231 1
 74.CB      33.251 1
 74.HB2      1.592 0
 74.HB1      1.675 0
 74.CG      24.790 1
 74.HG2      1.221 0
 74.HG1      1.408 0
 74.CD      29.034 1
 74.HD2      1.679 0
 74.HD1      1.679 0
 74.CE      41.913 1
 74.HE2      2.955 0
 74.HE1      3.002 0
 74.C      175.427 1
 75.N      122.201 1
 75.HN       7.925 1
 75.CA      54.571 1
 75.HA       4.378 1
 75.CB      33.451 1
 75.HB2      1.576 0
 75.HB1      1.509 0
 75.CG      26.976 1
 75.HG2      1.670 0
 75.HG1      1.416 0
 75.CD      43.618 1
 75.HD2      3.248 0
 75.HD1      3.142 0
 75.NE     999.000 1
 75.HE     999.000 1
 75.CZ     999.000 1
 75.C      173.841 1
 76.N      120.124 1
 76.HN       8.158 1
 76.CA      56.534 1
 76.HA       5.138 1
 76.CB      40.986 1
 76.HB2      2.614 0
 76.HB1      2.746 0
 76.CD1    132.641 0
 76.HD1      6.886 0
 76.CE1    117.577 0
 76.HE1      6.679 0
 76.CE2    117.577 0
 76.HE2      6.679 0
 76.CD2    132.641 0
 76.HD2      6.886 0
 76.C      175.373 1
 77.N      119.094 1
 77.HN       9.463 1
 77.CA      56.777 1
 77.HA       5.014 1
 77.CB      43.643 1
 77.HB2      2.583 0
 77.HB1      3.259 0
 77.CD1    131.371 0
 77.HD1      7.214 0
 77.CE1    129.059 0
 77.HE1      6.842 0
 77.CE2    129.059 0
 77.HE2      6.842 0
 77.CD2    131.371 0
 77.HD2      7.214 0
 77.C      175.911 1
 78.N      123.466 1
 78.HN       9.582 1
 78.CA      58.412 1
 78.HA       4.424 1
 78.CB      30.549 1
 78.HB2      2.050 0
 78.HB1      2.050 0
 78.CG      27.567 1
 78.HG2      1.794 0
 78.HG1      1.897 0
 78.CD      42.708 1
 78.HD2      3.286 0
 78.HD1      3.286 0
 78.C      176.124 1
 79.N      112.774 1
 79.HN       7.497 1
 79.CA      53.532 1
 79.HA       4.940 1
 79.CB      36.010 1
 79.HB2      1.640 0
 79.HB1      2.163 0
 79.CG      25.133 1
 79.HG2      1.483 0
 79.HG1      1.483 0
 79.CD      29.226 1
 79.HD2      1.814 0
 79.HD1      1.717 0
 79.CE      42.132 1
 79.HE2      3.037 0
 79.HE1      3.037 0
 79.C      177.058 1
 80.N      127.082 1
 80.HN       8.993 1
 80.CA      63.137 1
 80.HA       3.211 1
 80.CB      35.697 1
 80.HB       0.859 1
 80.CG1     28.514 0
 80.HG12     0.179 0
 80.HG11     0.425 0
 80.CD1     11.660 1
 80.HD11    -0.297 0
 80.HD12    -0.297 0
 80.HD13    -0.297 0
 80.CG2     17.663 0
 80.HG21     0.413 0
 80.HG22     0.413 0
 80.HG23     0.413 0
 80.C      177.580 1
 81.N      119.638 1
 81.HN       8.748 1
 81.CA      59.546 1
 81.HA       3.763 1
 81.CB      31.737 1
 81.HB2      1.780 0
 81.HB1      1.583 0
 81.CG      24.733 1
 81.HG2      1.319 0
 81.HG1      1.319 0
 81.CD      29.334 1
 81.HD2      1.638 0
 81.HD1      1.638 0
 81.CE      41.985 1
 81.HE2      2.936 0
 81.HE1      2.936 0
 81.C      177.658 1
 82.N      116.280 1
 82.HN       6.902 1
 82.CA      55.235 1
 82.HA       4.461 1
 82.CB      38.926 1
 82.HB2      3.046 0
 82.HB1      3.194 0
 82.ND2    111.588 1
 82.HD21     7.231 0
 82.HD22     8.023 0
 82.C      175.829 1
 83.N      125.417 1
 83.HN       6.780 1
 83.CA      58.103 1
 83.HA       1.877 1
 83.CB      41.658 1
 83.HB2      0.893 0
 83.HB1      1.615 0
 83.CG      26.703 1
 83.HG       1.042 1
 83.CD1     28.142 0
 83.HD11     0.805 0
 83.HD12     0.805 0
 83.HD13     0.805 0
 83.CD2     24.469 0
 83.HD21     0.347 0
 83.HD22     0.347 0
 83.HD23     0.347 0
 83.C      176.369 1
 84.N      117.739 1
 84.HN       7.627 1
 84.CA      64.169 1
 84.HA       3.079 1
 84.CB      36.761 1
 84.HB       1.723 1
 84.CG1     28.539 0
 84.HG12     1.396 0
 84.HG11     0.881 0
 84.CD1     12.379 1
 84.HD11     0.610 0
 84.HD12     0.610 0
 84.HD13     0.610 0
 84.CG2     17.255 0
 84.HG21     0.754 0
 84.HG22     0.754 0
 84.HG23     0.754 0
 84.C      177.043 1
 85.N      111.494 1
 85.HN       7.506 1
 85.CA      61.514 1
 85.HA       4.014 1
 85.CB      62.710 1
 85.HB2      3.807 0
 85.HB1      3.807 0
 85.C      177.646 1
 86.N      124.228 1
 86.HN       7.602 1
 86.CA      54.932 1
 86.HA       3.985 1
 86.CB      19.197 1
 86.HB1      1.310 0
 86.HB2      1.310 0
 86.HB3      1.310 0
 86.C      179.605 1
 87.N      113.762 1
 87.HN       7.490 1
 87.CA      57.750 1
 87.HA       4.530 1
 87.CB      36.496 1
 87.HB2      2.704 0
 87.HB1      3.206 0
 87.CD1    129.735 0
 87.HD1      6.895 0
 87.CE1    129.862 0
 87.HE1      7.028 0
 87.CE2    129.862 0
 87.HE2      7.028 0
 87.CD2    129.735 0
 87.HD2      6.895 0
 87.C      176.314 1
 88.N      119.499 1
 88.HN       7.465 1
 88.CA      57.022 1
 88.HA       4.479 1
 88.CB      28.894 1
 88.HB2      2.229 0
 88.HB1      2.237 0
 88.CG      33.967 1
 88.HG2      2.437 0
 88.HG1      2.753 0
 88.NE2    109.754 1
 88.HE21     6.450 0
 88.HE22     6.836 0
 88.C      175.507 1
 89.N      119.426 1
 89.HN       7.308 1
 89.CA      53.678 1
 89.HA       4.640 1
 89.CB      32.067 1
 89.HB2      1.862 0
 89.HB1      1.932 0
 89.CG      25.131 1
 89.HG2      1.490 0
 89.HG1      1.583 0
 89.CD      28.788 1
 89.HD2      1.704 0
 89.HD1      1.704 0
 89.CE      42.185 1
 89.HE2      3.019 0
 89.HE1      3.019 0
 89.C      172.919 1
 90.N      131.434 1
 90.CA      62.829 1
 90.HA       4.266 1
 90.CB      32.497 1
 90.HB2      1.841 0
 90.HB1      2.244 0
 90.CG      27.393 1
 90.HG2      2.011 0
 90.HG1      2.011 0
 90.CD      50.060 1
 90.HD2      3.790 0
 90.HD1      3.584 0
 90.C      176.703 1
 91.N      117.893 1
 91.HN       8.777 1
 91.CA      55.235 1
 91.HA       4.381 1
 91.CB      39.427 1
 91.HB2      2.823 0
 91.HB1      2.642 0
 91.C      175.261 1
 92.N      115.841 1
 92.HN       8.609 1
 92.CA      54.245 1
 92.HA       4.294 1
 92.CB      29.852 1
 92.HB2      1.721 0
 92.HB1      2.096 0
 92.CG      33.385 1
 92.HG2      2.091 0
 92.HG1      2.311 0
 92.NE2    114.434 1
 92.HE21     6.954 0
 92.HE22     6.705 0
 92.C      175.883 1
 93.N      106.603 1
 93.HN       8.455 1
 93.CA      45.311 1
 93.HA2      4.284 0
 93.HA1      3.557 0
 93.C      173.811 1
 94.N      111.928 1
 94.HN       7.209 1
 94.CA      59.306 1
 94.HA       4.440 1
 94.CB      40.662 1
 94.HB       1.258 1
 94.CG1     25.872 0
 94.HG12     0.731 0
 94.HG11     0.462 0
 94.CD1     14.472 1
 94.HD11     0.402 0
 94.HD12     0.402 0
 94.HD13     0.402 0
 94.CG2     16.268 0
 94.HG21    -0.355 0
 94.HG22    -0.355 0
 94.HG23    -0.355 0
 94.C      177.546 1
 95.N      118.995 1
 95.HN       7.242 1
 95.CA      64.460 1
 95.HA       3.408 1
 95.CB      31.429 1
 95.HB       1.274 1
 95.CG2     20.022 0
 95.HG21    -0.088 0
 95.HG22    -0.088 0
 95.HG23    -0.088 0
 95.CG1     19.490 0
 95.HG11     0.270 0
 95.HG12     0.270 0
 95.HG13     0.270 0
 95.C      172.393 1
 96.N      118.591 1
 96.HN       6.793 1
 96.CA      56.829 1
 96.HA       4.414 1
 96.CB      41.594 1
 96.HB       1.465 1
 96.CG1     28.517 0
 96.HG12     1.218 0
 96.HG11     1.548 0
 96.CD1     14.594 1
 96.HD11     1.050 0
 96.HD12     1.050 0
 96.HD13     1.050 0
 96.CG2     17.542 0
 96.HG21     0.714 0
 96.HG22     0.714 0
 96.HG23     0.714 0
 96.C      170.000 1
 97.N      131.722 1
 97.CA      62.393 1
 97.HA       4.223 1
 97.CB      31.683 1
 97.HB2      1.423 0
 97.HB1      1.753 0
 97.CG      28.357 1
 97.HG2      1.864 0
 97.HG1      1.864 0
 97.CD      51.145 1
 97.HD2      3.346 0
 97.HD1      3.695 0
 97.C      175.710 1
 98.N      118.422 1
 98.HN       7.562 1
 98.CA      55.031 1
 98.HA       3.622 1
 98.CB      38.411 1
 98.HB2      0.981 0
 98.HB1     -0.005 0
 98.CG      24.894 1
 98.HG       1.403 1
 98.CD1     26.491 0
 98.HD11     0.347 0
 98.HD12     0.347 0
 98.HD13     0.347 0
 98.CD2     21.869 0
 98.HD21     0.328 0
 98.HD22     0.328 0
 98.HD23     0.328 0
 98.C      176.979 1
 99.N      123.161 1
 99.HN       8.580 1
 99.CA      57.399 1
 99.HA       4.419 1
 99.CB      34.135 1
 99.HB2      1.542 0
 99.HB1      1.414 0
 99.CG      34.023 1
 99.HG2      2.016 0
 99.HG1      1.768 0
 99.NE2    110.012 1
 99.HE21     7.183 0
 99.HE22     6.792 0
 99.C      174.635 1
100.N      118.841 1
100.HN       7.753 1
100.CA      54.309 1
100.HA       5.330 1
100.CB      39.812 1
100.HB2      3.068 0
100.HB1      2.837 0
100.CD1    133.709 0
100.HD1      6.984 0
100.CE1    118.276 0
100.HE1      6.860 0
100.CE2    118.276 0
100.HE2      6.860 0
100.CD2    133.709 0
100.HD2      7.065 0
100.C      171.342 1
101.N      112.593 1
101.CA      62.539 1
101.HA       3.014 1
101.CB      32.715 1
101.HB2      1.528 0
101.HB1      1.830 0
101.CG      26.705 1
101.HG2      2.016 0
101.HG1      2.149 0
101.CD      50.781 1
101.HD2      3.741 0
101.HD1      4.007 0
101.C      176.691 1
102.N      126.437 1
102.HN       8.214 1
102.CA      62.089 1
102.HA       4.130 1
102.CB      30.315 1
102.HB       1.970 1
102.CG2     22.445 0
102.HG21     0.948 0
102.HG22     0.948 0
102.HG23     0.948 0
102.CG1     21.237 0
102.HG11     0.792 0
102.HG12     0.792 0
102.HG13     0.792 0
102.C      175.339 1
103.N      126.156 1
103.HN       8.390 1
103.CA      56.112 1
103.HA       4.075 1
103.CB      30.666 1
103.HB2      1.790 0
103.HB1      1.790 0
103.CG      37.302 1
103.HG2      1.777 0
103.HG1      2.150 0
103.C      176.102 1
104.N      123.005 1
104.HN       7.863 1
104.CA      56.442 1
104.HA       3.667 1
104.CB      32.148 1
104.HB2      0.734 0
104.HB1      1.352 0
104.CG      24.326 1
104.HG2      1.140 0
104.HG1      1.104 0
104.CD      29.223 1
104.HD2      1.554 0
104.HD1      1.464 0
104.CE      42.128 1
104.HE2      2.886 0
104.HE1      2.886 0
104.C      175.770 1
105.N      126.340 1
105.HN       8.514 1
105.CA      55.853 1
105.HA       4.362 1
105.CB      33.204 1
105.HB2      1.732 0
105.HB1      1.828 0
105.CG      24.764 1
105.HG2      1.408 0
105.HG1      1.408 0
105.CD      28.913 1
105.HD2      1.660 0
105.HD1      1.660 0
105.CE      42.151 1
105.HE2      2.984 0
105.HE1      2.984 0
105.C      176.224 1
106.N      117.934 1
106.HN       8.383 1
106.CA      58.058 1
106.HA       4.449 1
106.CB      63.712 1
106.HB2      3.864 0
106.HB1      3.864 0
106.C      174.272 1
107.N      118.044 1
107.HN       8.315 1
107.CA      57.982 1
107.HA       4.468 1
107.CB      63.739 1
107.HB2      3.879 0
107.HB1      3.879 0
107.C      173.699 1
108.N      126.653 1
108.HN       8.239 1
108.CA      52.540 1
108.HA       4.334 1
108.CB      19.074 1
108.HB1      1.385 0
108.HB2      1.385 0
108.HB3      1.385 0
108.C      176.357 1
109.N      125.474 1
109.HN       7.857 1
109.CA      57.072 1
109.HA       4.153 1
109.CB      31.326 1
109.HB2      1.845 0
109.HB1      1.709 0
109.CG      26.980 1
109.HG2      1.595 0
109.HG1      1.595 0
109.CD      43.379 1
109.HD2      3.200 0
109.HD1      3.200 0
109.C      180.661 1
110.N      126.701 1
113.CA      45.087 1
113.HA2      4.047 0
113.HA1      4.047 0
113.C      174.050 1
114.N      113.782 1
114.HN       8.161 1
114.CA      61.575 1
114.HA       4.456 1
114.CB      69.610 1
114.HB       4.279 1
114.CG2     21.448 1
114.HG21     1.203 0
114.HG22     1.203 0
114.HG23     1.203 0
114.HG1    999.000 1
114.C      174.726 1
115.N      116.195 1
115.HN       8.221 1
115.CA      61.861 1
115.HA       4.394 1
115.CB      69.656 1
115.HB       4.256 1
115.CG2     21.442 1
115.HG21     1.221 0
115.HG22     1.221 0
115.HG23     1.221 0
115.HG1    999.000 1
115.C      174.755 1
116.N      111.633 1
116.HN       8.401 1
116.CA      45.051 1
116.HA2      3.976 0
116.HA1      3.976 0
116.C      173.568 1
117.N      120.498 1
117.HN       7.960 1
117.CA      60.801 1
117.HA       4.171 1
117.CB      38.594 1
117.HB       1.834 1
117.CG1     27.175 0
117.HG12     1.164 0
117.HG11     1.433 0
117.CD1     12.500 1
117.HD11     0.846 0
117.HD12     0.846 0
117.HD13     0.846 0
117.CG2     17.395 0
117.HG21     0.888 0
117.HG22     0.888 0
117.HG23     0.888 0
117.C      175.806 1
118.N      125.767 1
118.HN       8.394 1
118.CA      55.698 1
118.HA       4.365 1
118.CB      30.748 1
118.HB2      1.801 0
118.HB1      1.801 0
118.CG      26.868 1
118.HG2      1.614 0
118.HG1      1.614 0
118.CD      43.170 1
118.HD2      3.207 0
118.HD1      3.207 0
118.C      175.548 1
119.N      123.428 1
119.HN       8.467 1
119.CA      55.997 1
119.HA       4.292 1
119.CB      30.321 1
119.HB2      2.019 0
119.HB1      1.893 0
119.CG      36.112 1
119.HG2      2.226 0
119.HG1      2.226 0
119.C      175.356 1
120.N      123.481 1
120.HN       8.380 1
120.CA      52.018 1
120.HA       4.870 1
120.CB      40.984 1
120.HB2      2.771 0
120.HB1      2.508 0
120.C      174.241 1
121.N      110.325 1
121.CA      63.263 1
121.HA       4.441 1
121.CB      31.967 1
121.HB2      1.959 0
121.HB1      2.297 0
121.CG      27.041 1
121.HG2      2.022 0
121.HG1      2.022 0
121.CD      50.532 1
121.HD2      3.848 0
121.HD1      3.776 0
121.C      176.464 1
122.N      120.098 1
122.HN       8.396 1
122.CA      54.436 1
122.HA       4.591 1
122.CB      40.797 1
122.HB2      2.616 0
122.HB1      2.727 0
122.C      176.324 1
123.N      119.767 1
123.HN       7.806 1
123.CA      62.350 1
123.HA       4.100 1
123.CB      32.399 1
123.HB       2.157 1
123.CG2     20.711 0
123.HG21     0.945 0
123.HG22     0.945 0
123.HG23     0.945 0
123.CG1     20.711 0
123.HG11     0.945 0
123.HG12     0.945 0
123.HG13     0.945 0
123.C      175.764 1
124.N      122.660 1
124.HN       8.317 1
124.CA      58.460 1
124.HA       4.462 1
124.CB      27.518 1
124.HB2      2.908 0
124.HB1      2.908 0
124.C      174.244 1
125.N      125.302 1
125.HN       8.239 1
125.CA      55.024 1
125.HA       4.344 1
125.CB      42.068 1
125.HB2      1.616 0
125.HB1      1.616 0
125.CG      26.843 1
125.HG       1.600 1
125.CD1     24.818 0
125.HD11     0.924 0
125.HD12     0.924 0
125.HD13     0.924 0
125.CD2     23.353 0
125.HD21     0.864 0
125.HD22     0.864 0
125.HD23     0.864 0
125.C      176.656 1
126.N      122.860 1
126.HN       8.118 1
126.CA      55.631 1
126.HA       4.316 1
126.CB      33.016 1
126.HB2      1.722 0
126.HB1      1.722 0
126.CG      24.416 1
126.HG2      1.419 0
126.HG1      1.419 0
126.CD      28.942 1
126.HD2      1.674 0
126.HD1      1.674 0
126.CE      42.020 1
126.HE2      3.004 0
126.HE1      3.004 0
126.C      175.270 1
127.N      128.309 1
127.HN       8.259 1
127.CA      50.084 1
127.HA       4.580 1
127.CB      17.967 1
127.HB1      1.376 0
127.HB2      1.376 0
127.HB3      1.376 0
127.C      174.317 1
128.N      114.568 1
129.HA       4.000 1
129.HB2      1.940 0
129.HB1      1.940 0
129.HG2      1.670 0
129.HG1      1.710 0
129.HD2      3.240 0
129.HD1      3.240 0
130.HN       7.710 1
130.HA       4.170 1
130.HB2      1.750 0
130.HB1      1.750 0
130.HG2      1.450 0
130.HG1      1.450 0
130.HD2      1.700 0
130.HD1      1.700 0
130.HE2      3.020 0
130.HE1      3.020 0
131.HN       8.480 1
131.HA       4.600 1
131.HB2      2.920 0
131.HB1      3.110 0
132.HN       7.180 1
132.HA       4.580 1
132.HB2      1.395 0
132.HB1      1.715 0
132.HG       1.560 1
132.HD11     0.590 0
132.HD12     0.590 0
132.HD13     0.590 0
132.HD21     0.790 0
132.HD22     0.790 0
132.HD23     0.790 0
133.HN       7.620 1
133.HA       4.610 1
133.HB       3.910 1
133.HG21     0.740 0
133.HG22     0.740 0
133.HG23     0.740 0
134.HN       8.230 1
134.HA       4.060 1
134.HB       0.920 1
134.HG12     0.650 0
134.HG11     1.040 0
134.HD11     0.140 0
134.HD12     0.140 0
134.HD13     0.140 0
134.HG21     0.530 0
134.HG22     0.530 0
134.HG23     0.530 0
135.HN       9.060 1
135.HA       4.740 1
135.HB2      2.810 0
135.HB1      2.990 0
135.HD1      7.060 0
135.HE1      7.100 0
135.HE2      7.100 0
135.HD2      7.060 0
136.HN       8.080 1
136.HA       4.370 1
136.HB1      1.320 0
136.HB2      1.320 0
136.HB3      1.320 0




Please acknowledge these references in publications where the data from this site have been utilized.

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