NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.9407 8.3549 109.7365 45.2832  0.0000 173.1204
  2     N  4.2112 8.7196 117.0591 52.5555 39.0193 172.3461
  3     N  4.8497 8.8086 120.3275 51.6252 42.0412 172.9849
  4     Q  4.4319 8.6539 125.8721 54.3754 30.9627 173.9983
  5     Q  4.3114 8.6166 124.3956 53.9843 30.8357 175.2280
  6     N  4.7117 8.1260 120.4422 51.5205 39.2631 174.2043
  7     Y  4.1847 8.2956 119.6347 58.0858 38.0748 176.0071

  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 3.94 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     N  8.72 4.21 0.00 2.80 2.77 0.00 0.00 6.47 7.11 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     N  8.81 4.85 0.00 2.62 2.67 0.00 0.00 6.76 7.08 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     Q  8.65 4.43 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.46 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 
  5     Q  8.62 4.31 0.00 1.86 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.75 0.00 0.00 0.00 0.00 0.00 2.10 2.37 0.00 
  6     N  8.13 4.71 0.00 2.57 2.70 0.00 0.00 7.16 7.46 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     Y  8.30 4.18 0.00 3.00 2.90 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