NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2112 8.3101 120.1347 56.2040 33.4783 175.4506
  2     A  4.1576 8.3486 126.3722 49.6808 19.3559 171.9282
  3     V  4.1158 8.1884 119.5128 61.2066 33.6647 173.5706
  4     Y  4.6484 8.2191 120.5502 55.7473 41.0412 174.8497
  5     N  4.7573 8.4021 124.3785 53.3477 40.9361 177.1004
  6     F  4.0361 8.2803 117.0009 57.1625 38.2780 179.8690
  7     A  4.1215 9.2705 130.9567 52.9984 18.5807 178.6102
  8     T  4.2604 8.1682 112.6415 61.1676 70.3194 174.6404
  9     M  4.1963 8.3589 119.9056 55.7228 32.1309 176.5504

  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 4.21 0.00 1.76 1.82 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 
  2     A  8.35 4.16 1.29 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 0.00 0.00 
  3     V  8.19 4.12 2.14 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 0.77 0.00 0.00 1.03 0.00 0.00 
  4     Y  8.22 4.65 0.00 2.91 2.82 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  8.40 4.76 0.00 2.61 2.70 0.00 0.00 7.05 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  8.28 4.04 0.00 3.04 2.30 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  9.27 4.12 1.28 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  8.17 4.26 4.23 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 1.19 0.00 0.00 
  9     M  8.36 4.20 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00