NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     S  4.3981 8.3344 115.4123 58.0318 64.3737 172.4811
  3     L  4.2162 8.1742 122.8591 53.4947 43.0927 174.5051
  4     S  4.6581 9.0732 121.9463 56.5552 64.9743 173.6694
  5     N  4.6542 8.6425 123.1865 53.2265 40.5022 176.3306
  6     G  4.0020 8.2538 110.8323 44.8393  0.0000 175.9939
  7     P  4.2871 0.0000   0.0000 62.5320 31.8317 175.6284
  8     H  4.5401 8.4563 118.8831 54.8820 29.7106 175.6375
  9     L  4.1779 8.3675 119.3000 55.3954 41.4008 177.5064

  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   
  2     S  8.33 4.40 0.00 3.99 3.94 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  8.17 4.22 0.00 1.68 1.58 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 
  4     S  9.07 4.66 0.00 3.86 3.76 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  8.64 4.65 0.00 2.67 2.71 0.00 0.00 7.08 7.65 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     G  8.25 4.00 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 0.00 0.00 
  7     P  0.00 4.29 0.00 2.05 2.00 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 
  8     H  8.46 4.54 0.00 3.11 3.27 0.00 5.90 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  9     L  8.37 4.18 0.00 1.65 1.60 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00