NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.1361 8.3101 120.1322 56.3257 33.4286 175.3901
  2     A  4.2376 8.2012 125.4392 50.1564 20.6259 174.3531
  3     L  4.6380 8.8275 120.8787 53.8022 44.5667 173.6109
  4     Y  4.5411 8.3824 122.6364 56.7647 39.0364 175.5997
  5     N  4.8725 8.7191 121.9625 53.2260 40.9974 176.8781
  6     F  4.7427 8.4784 122.6871 57.8875 37.7515 179.2783
  7     A  3.9789 9.2627 117.8934 51.8168 18.6471 178.3897
  8     T  4.1419 8.1520 111.9279 61.1873 69.7399 174.4207
  9     M  4.1891 8.6119 120.2884 56.0676 31.9512 176.6833

  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 4.14 0.00 1.76 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 
  2     A  8.20 4.24 1.20 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  8.83 4.64 0.00 1.60 1.57 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 
  4     Y  8.38 4.54 0.00 3.01 2.86 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  8.72 4.87 0.00 2.79 2.84 0.00 0.00 6.97 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  8.48 4.74 0.00 2.92 2.28 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 
  7     A  9.26 3.98 1.32 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  8.15 4.14 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  8.61 4.19 0.00 2.03 2.06 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 2.52 0.00