NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     T  4.3762 8.1593 110.9409 61.4183 70.1027 172.6888
  2     K  4.5276 8.2033 120.7993 54.7551 35.6618 173.8506
  3     C  4.5464 9.3663 119.4576 58.7926 30.1680 175.1373
  4     V  4.1955 8.2502 118.2299 60.5264 32.3005 175.9771
  5     F  4.9346 7.5606 115.1619 56.2670 39.7339 174.4378
  6     M  3.9902 6.8794 123.4988 55.9163 30.3067 174.3179

  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     T  8.16 4.38 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 
  2     K  8.20 4.53 0.00 1.96 1.80 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.55 7.81 
  3     C  9.37 4.55 0.00 3.06 2.99 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 
  4     V  8.25 4.20 1.99 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 0.71 0.00 0.00 0.92 0.00 0.00 
  5     F  7.56 4.93 0.00 3.12 3.12 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 
  6     M  6.88 3.99 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.48 0.00