NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1A    T  4.3185 8.1593 117.3757 63.1725 70.3115 172.8713
  1     C  3.9940 8.1461 116.5003 59.3523 29.7986 173.0817
  2     G  3.9808 9.4874 108.9901 45.8161  0.0000 174.6465
  3     L  4.8184 7.1891 118.2433 53.2106 43.7926 176.5324
  4     R  4.3215 7.7730 115.8764 55.4954 31.2983 173.1161
  5     Q  4.4123 8.1535 116.1855 54.7621 31.1726 175.1212
  6     Y  4.3702 8.4828 119.3458 58.2235 38.7830 175.2998

  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   
  1A    T  8.16 4.32 4.25 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 1.22 0.00 0.00 
  1     C  8.15 3.99 0.00 3.18 3.07 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     G  9.49 3.98 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 
  3     L  7.19 4.82 0.00 1.80 1.61 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 
  4     R  7.77 4.32 0.00 1.63 1.72 0.00 2.80 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.76 0.00 
  5     Q  8.15 4.41 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.84 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 
  6     Y  8.48 4.37 0.00 2.80 2.81 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