NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4114 8.3349 116.7997 58.2062 64.1881 173.5146
  2     E  4.2669 8.5060 123.6755 54.1069 30.4276 174.6767
  3     F  4.9320 8.2343 113.6716 55.0408 41.8402 174.0567
  4     L  4.0973 8.5820 123.5011 53.5267 41.4193 175.6853
  5     L  3.6589 7.5514 126.9243 55.5559 42.3017 176.4908
  6     E  4.7416 9.0124 123.0162 55.5861 30.8878 175.5276
  7     K  4.7713 7.9273 117.3658 54.9228 35.4386 175.6266
  8     R  4.6804 8.1861 118.6200 54.0158 33.8167 175.4917
  9     I  3.8940 8.3848 113.6613 61.2872 37.5420 175.7984

  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     S  8.33 4.41 0.00 3.91 3.89 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     E  8.51 4.27 0.00 2.03 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 2.33 2.36 0.00 
  3     F  8.23 4.93 0.00 3.03 2.93 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 
  4     L  8.58 4.10 0.00 1.61 1.70 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 
  5     L  7.55 3.66 0.00 1.40 1.50 0.78 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 
  6     E  9.01 4.74 0.00 2.05 1.96 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 2.31 2.50 0.00 
  7     K  7.93 4.77 0.00 1.83 1.78 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.44 7.81 
  8     R  8.19 4.68 0.00 1.76 1.81 0.00 3.21 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 
  9     I  8.38 3.89 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.52 0.91 0.00 0.00