NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.4946 8.3049 120.3265 54.7833 34.1457 175.5517
  2     R  4.2591 7.8322 116.8750 56.9681 32.0732 175.3170
  3     T  4.0095 7.7891 114.7370 63.2540 67.2504 174.5195
  4     G  3.8319 8.2307 114.4837 44.2381  0.0000 169.8566
  5     N  4.5881 8.2137 115.3599 52.4694 39.6907 174.8012
  6     A  4.2646 8.2700 121.1623 52.6301 19.3001 177.5126
  7     D  4.5373 8.4840 118.9614 54.4767 41.1512 176.7807

  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     M  8.30 4.49 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 
  2     R  7.83 4.26 0.00 1.85 1.94 0.00 3.21 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 
  3     T  7.79 4.01 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 
  4     G  8.23 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 0.00 0.00 0.00 
  5     N  8.21 4.59 0.00 2.73 2.81 0.00 0.00 6.79 7.35 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     A  8.27 4.26 1.23 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 
  7     D  8.48 4.54 0.00 2.67 2.57 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