NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2872 8.3101 119.9997 57.5775 33.2015 173.3997
  2     A  4.2879 8.2849 129.4734 50.9876 25.8600 171.5875
  3     V  4.1374 7.8208 113.3906 60.7302 34.0482 172.9675
  4     Y  4.7353 8.1494 120.9747 56.5525 39.6475 175.5707
  5     N  4.3687 7.5583 123.4195 52.0526 37.2139 174.3337
  6     L  3.9142 7.7415 122.2844 54.2062 42.5054 177.4351
  7     A  4.3441 8.3408 125.8840 51.7029 19.6482 176.5321
  8     T  4.5259 8.0076 109.3979 60.4480 70.6668 174.9863
  9     M  4.2027 8.4718 122.0948 55.7734 32.1340 176.2226

  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 4.29 0.00 1.90 1.96 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.46 7.81 
  2     A  8.28 4.29 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  7.82 4.14 2.11 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 0.75 0.00 0.00 0.98 0.00 0.00 
  4     Y  8.15 4.74 0.00 2.85 2.92 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  7.56 4.37 0.00 2.28 2.54 0.00 0.00 7.01 7.85 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     L  7.74 3.91 0.00 1.58 1.59 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 
  7     A  8.34 4.34 1.27 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  8.01 4.53 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  8.47 4.20 0.00 2.03 2.02 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 2.59 2.54 0.00