NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3914 8.3349 115.2902 57.5926 63.4893 173.6344
  2     L  3.9942 8.3757 127.5198 53.5075 42.1674 175.1873
  3     L  4.1212 8.3867 122.8136 55.5898 43.6614 176.0112
  4     M  4.0292 8.6176 125.3166 57.3230 32.8406 176.0236
  5     W  4.5032 8.0404 118.6253 55.5782 29.8060 175.6767
  6     I  4.6318 8.2987 123.0975 59.2820 40.3108 174.1548
  7     T  4.6375 8.3363 123.5421 61.4882 70.2385 174.6547
  8     Q  4.1625 8.5758 125.2332 56.1014 29.5066 176.3042
  9     C  4.3064 8.5103 114.3990 58.5846 29.9593 173.4718

  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 4.39 0.00 3.85 3.85 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 0.00 0.00 0.00 0.00 
  2     L  8.38 3.99 0.00 1.74 1.58 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 
  3     L  8.39 4.12 0.00 1.60 1.57 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.62 4.03 0.00 2.05 2.01 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 2.18 1.71 0.00 
  5     W  8.04 4.50 0.00 3.31 3.17 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 
  6     I  8.30 4.63 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.91 0.90 0.00 0.00 
  7     T  8.34 4.64 4.28 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 1.24 0.00 0.00 
  8     Q  8.58 4.16 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.09 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 
  9     C  8.51 4.31 0.00 3.09 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