NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     C  4.5431 8.3444 115.6525 58.3984 30.9757 172.0912
  3     H  4.7035 8.2426 118.5928 52.0703 32.6882 170.6087
  4     P  4.5732 0.0000   0.0000 63.1017 32.8930 176.4662
  5     Q  4.1470 8.3941 120.6357 58.9244 29.1665 175.6439
  6     N  5.0997 7.6486 111.7282 51.3892 42.7266 174.2264
  7     T  4.0794 8.4253 113.3490 62.5057 67.4751 174.3822

  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   
  2     C  8.34 4.54 0.00 3.10 3.02 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 
  3     H  8.24 4.70 0.00 3.16 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  4     P  0.00 4.57 0.00 2.18 2.08 0.00 3.19 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 
  5     Q  8.39 4.15 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 
  6     N  7.65 5.10 0.00 2.70 2.65 0.00 0.00 6.85 7.54 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 
  7     T  8.43 4.08 4.24 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 1.21 0.00 0.00