NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Y  4.7021 8.1444 118.9389 56.7187 39.3166 173.8529
  2     K  3.7921 8.0565 120.7486 53.3317 34.9023 173.9879
  3     K  4.1712 9.0597 129.1816 56.1547 33.1445 175.4860
  4     T  4.3229 8.3198 123.9022 62.4973 69.3838 174.4921
  5     E  4.3121 8.6315 126.6940 55.9026 30.4775 177.1061
  6     V  4.0327 8.0785 121.6824 61.9859 31.5812 174.9505

  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     Y  8.14 4.70 0.00 3.10 3.00 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     K  8.06 3.79 0.00 1.62 1.58 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.16 1.35 7.81 
  3     K  9.06 4.17 0.00 1.85 1.66 0.00 1.86 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.49 7.81 
  4     T  8.32 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 1.21 0.00 0.00 
  5     E  8.63 4.31 0.00 1.95 1.88 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 2.30 2.23 0.00 
  6     V  8.08 4.03 2.09 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 0.67 0.00 0.00 0.93 0.00 0.00