NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3735 8.3349 115.2873 57.5785 63.4945 173.5955
  2     L  3.9955 8.3668 127.4052 53.9601 41.0553 175.4818
  3     L  4.0388 8.2681 120.2091 54.8052 43.0423 178.1717
  4     M  4.3489 8.3717 121.3918 58.0755 32.5555 176.2171
  5     W  4.5127 6.3482 112.3782 55.6480 31.0866 173.4483
  6     I  4.4184 8.3821 113.1872 59.0840 39.2567 175.5958
  7     T  4.2915 8.4773 121.0172 63.1837 69.1060 174.4965
  8     Q  4.1735 8.5504 124.6362 56.0102 29.5043 176.6554
  9     S  4.3578 8.5574 115.1095 58.6198 63.3780 173.9753

  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 4.37 0.00 3.84 3.83 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  8.37 4.00 0.00 1.74 1.57 0.92 0.71 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  8.27 4.04 0.00 1.57 1.44 0.78 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 
  4     M  8.37 4.35 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 3.04 0.00 
  5     W  6.35 4.51 0.00 3.53 3.18 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  8.38 4.42 1.88 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 1.45 0.80 0.84 0.00 0.00 
  7     T  8.48 4.29 4.35 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 1.29 0.00 0.00 
  8     Q  8.55 4.17 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.04 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 
  9     S  8.56 4.36 0.00 3.99 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