NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     G  3.9291 8.3549 109.7360 45.4156  0.0000 172.9605
  2     N  4.4358 8.5139 116.3028 51.6465 39.4293 172.6696
  3     N  4.8470 8.7718 119.9150 51.7031 41.7053 173.0607
  4     Q  4.5422 8.6121 126.3609 54.1749 31.2215 174.3451
  5     Q  4.2138 8.5095 123.2520 54.3286 31.2825 175.0871
  6     N  4.7747 8.1476 121.3970 51.4947 38.6256 174.4043
  7     Y  4.3125 7.9838 118.6856 58.0314 38.0909 175.7093

  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 3.93 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  8.51 4.44 0.00 2.80 2.75 0.00 0.00 6.51 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  8.77 4.85 0.00 2.61 2.68 0.00 0.00 6.77 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  8.61 4.54 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.53 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 
  5     Q  8.51 4.21 0.00 1.80 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.93 0.00 0.00 0.00 0.00 0.00 2.05 2.37 0.00 
  6     N  8.15 4.77 0.00 2.59 2.70 0.00 0.00 7.20 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  7.98 4.31 0.00 2.88 2.84 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