NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     D  4.5212 8.3649 120.1806 54.3585 42.2408 173.4276
  2     Y  4.5898 8.4742 115.5166 54.6154 40.7426 173.2524
  3     Q  4.5300 8.5615 117.9379 54.2074 32.3101 174.3961
  4     R  3.7719 8.7541 121.3972 56.9356 30.4224 174.8838
  5     L  4.3980 8.5466 126.4138 54.0032 43.2309 175.8791
  6     N  4.3030 9.0900 122.1912 53.4481 38.3697 174.2558

  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     D  8.36 4.52 0.00 2.66 2.73 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     Y  8.47 4.59 0.00 2.99 2.85 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     Q  8.56 4.53 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 
  4     R  8.75 3.77 0.00 1.80 1.93 0.00 3.23 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 
  5     L  8.55 4.40 0.00 1.64 1.56 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 
  6     N  9.09 4.30 0.00 2.83 3.00 0.00 0.00 6.96 7.56 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