NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2121 8.3101 121.7915 55.9115 32.8137 175.3296
  2     A  4.0363 8.4348 129.9967 50.8095 19.0914 175.1605
  3     L  4.2826 8.2466 123.6465 54.8494 43.9141 174.0152
  4     Y  4.8456 8.3712 122.5450 55.2103 39.8802 175.4193
  5     N  4.7829 8.6337 120.4015 53.0058 40.7886 176.7487
  6     F  4.9493 8.0138 124.7081 57.4706 37.7689 178.7742
  7     A  4.0180 8.9711 119.8759 51.7001 18.3952 177.7665
  8     T  4.1619 8.1094 111.2751 61.3513 69.7549 174.4909
  9     M  4.2424 8.4161 120.3726 55.8056 31.9591 176.6258

  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 1.75 1.84 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.48 7.81 
  2     A  8.43 4.04 1.31 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  8.25 4.28 0.00 1.62 1.60 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 
  4     Y  8.37 4.85 0.00 3.07 2.81 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  8.63 4.78 0.00 2.79 2.84 0.00 0.00 6.92 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  8.01 4.95 0.00 2.78 2.15 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  8.97 4.02 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 
  8     T  8.11 4.16 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  8.42 4.24 0.00 2.04 2.03 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 2.62 2.55 0.00