NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  11    C  4.5691 8.3293 118.3640 59.7577 29.6322 172.3532
  12    S  4.5631 8.1198 114.6776 55.7907 65.2046 172.6579
  13    K  4.4168 8.5134 122.5370 55.7634 34.8970 179.8622
  14    K  4.8391 7.8707 128.6901 56.1772 30.6177 177.4642
  15    K  4.7413 8.6762 111.6559 55.9981 33.2245 175.8419
  16    K  4.1916 8.2334 123.6270 56.6205 32.5702 176.2727

  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   
  11    C  8.33 4.57 0.00 2.98 2.95 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 
  12    S  8.12 4.56 0.00 4.00 3.79 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    K  8.51 4.42 0.00 1.77 1.81 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.42 7.81 
  14    K  7.87 4.84 0.00 1.69 0.88 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 
  15    K  8.68 4.74 0.00 1.71 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.38 7.81 
  16    K  8.23 4.19 0.00 1.70 1.66 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.38 7.81