NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.1271 8.3101 121.7872 56.1915 33.3615 175.8277
  2     A  4.2022 8.2531 128.6413 50.2962 20.3274 174.2517
  3     L  4.7954 8.8126 118.8934 53.5130 45.7473 174.1671
  4     Y  4.4125 8.5454 122.9233 57.1712 38.8200 175.4622
  5     N  4.8803 8.6837 121.9976 53.0939 40.6849 176.5821
  6     F  4.9782 8.1467 125.6858 57.3300 37.7918 178.6390
  7     A  3.9521 8.7220 119.8770 52.0026 18.3346 177.6200
  8     T  4.3020 8.0317 110.8563 60.6943 70.1817 174.8327
  9     M  4.2119 8.5215 120.1268 55.9395 31.9278 176.6778

  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     K  8.31 4.13 0.00 1.73 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 
  2     A  8.25 4.20 1.21 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  8.81 4.80 0.00 1.56 1.50 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 
  4     Y  8.55 4.41 0.00 3.02 2.87 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  8.68 4.88 0.00 2.79 2.83 0.00 0.00 7.00 7.45 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     F  8.15 4.98 0.00 2.95 2.29 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     A  8.72 3.95 1.25 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 0.00 0.00 0.00 
  8     T  8.03 4.30 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 1.20 0.00 0.00 
  9     M  8.52 4.21 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00