NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.9545 8.3549 109.7364 45.4253  0.0000 176.3600
  2     K  4.5231 8.4936 117.6499 52.9883 32.8670 172.9829
  3     D  4.9917 8.4269 123.3670 53.0342 41.8220 175.1738
  4     S  4.6447 8.1293 115.4415 58.8375 64.7272 171.2211
  5     C  4.6088 7.5716 123.0781 61.3938 34.6866 175.0742
  6     Q  4.0992 7.6210 117.7097 56.1334 29.1992 176.2304
  7     G  3.9708 8.2972 104.7129 46.4507  0.0000 173.7007
  8     D  4.7475 7.8237 120.1393 53.9863 42.7571 176.4011
  9     S  4.3099 8.0079 117.4864 58.6493 63.1363 173.8157

  NUM RES  H    HA   HB   HB2  HB3  HD1  HD2  HD21 HD22 HD3  HE   HE1  HE2  HE21 HE22 HE3  HG   HG1  HG12 HG13 HG2  HG3  HZ   
  1     G  8.35 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  2     K  8.49 4.52 0.00 1.75 1.71 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.55 7.81 
  3     D  8.43 4.99 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  4     S  8.13 4.64 0.00 3.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  5     C  7.57 4.61 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  6     Q  7.62 4.10 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.14 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 
  7     G  8.30 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  8     D  7.82 4.75 0.00 2.75 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  9     S  8.01 4.31 0.00 4.02 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00