NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     H  4.7535 8.4449 117.8488 56.0466 30.1459 172.1404
  3     H  4.6457 8.4921 118.1441 53.4165 31.2740 172.8406
  4     A  4.4370 8.9808 125.2895 51.1638 20.4869 177.4586
  5     S  4.2890 8.3629 116.2859 57.5367 63.4699 173.1075
  6     P  4.2687 0.0000   0.0000 62.8226 31.5731 175.5528
  7     R  4.3172 8.3379 122.3562 54.5384 30.8909 175.8393
  8     K  4.1326 8.6291 125.3974 56.7671 32.1797 176.1782

  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     H  8.44 4.75 0.00 3.11 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     H  8.49 4.65 0.00 3.22 3.22 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  4     A  8.98 4.44 1.25 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 
  5     S  8.36 4.29 0.00 3.88 3.82 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     P  0.00 4.27 0.00 2.18 2.06 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 
  7     R  8.34 4.32 0.00 1.79 1.88 0.00 3.24 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 
  8     K  8.63 4.13 0.00 1.74 1.68 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.50 7.81