NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  9     C  4.8481 8.4393 118.1640 56.8065 41.6265 173.3890
  10    T  4.0760 8.4072 113.5537 61.4271 69.1829 172.5472
  11    K  4.5575 8.1353 119.8041 56.3178 33.6559 178.2785
  12    S  4.5604 7.8857 112.3474 57.2258 64.7776 173.2830
  13    I  4.2824 7.9706 122.2806 58.9405 37.6701 174.2763
  14    P  4.5812 0.0000   0.0000 61.2171 32.3246 174.2187
  15    P  4.5311 0.0000   0.0000 62.9715 32.5624 175.6905
  16    E  4.5354 9.0674 121.2749 55.1694 31.4903 175.6586
  17    C  4.5812 8.6601 121.2425 56.8662 41.3209 174.1967

  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   
  9     C  8.44 4.85 0.00 2.98 3.09 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 
  10    T  8.41 4.08 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 1.26 0.00 0.00 
  11    K  8.14 4.56 0.00 1.75 1.85 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.40 7.81 
  12    S  7.89 4.56 0.00 3.97 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 
  13    I  7.97 4.28 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 1.47 0.63 0.91 0.00 0.00 
  14    P  0.00 4.58 0.00 2.18 2.04 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 
  15    P  0.00 4.53 0.00 2.10 2.14 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 
  16    E  9.07 4.54 0.00 1.91 1.91 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 2.22 2.25 0.00 
  17    C  8.66 4.58 0.00 2.83 2.96 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 0.00 0.00 0.00