NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4112 8.3231 115.4126 57.7058 64.3068 173.2511
  2     G  3.4941 8.4686 113.9043 44.3518  0.0000 172.5510
  3     R  3.7707 9.0213 125.5631 59.3451 31.2304 176.2324
  4     G  3.8070 7.9967 105.2388 47.4659  0.0000 173.4647
  5     K  4.1597 7.5711 122.9632 56.5117 33.2153 175.8961

  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  8.32 4.41 0.00 3.99 3.95 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 
  2     G  8.47 3.49 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 
  3     R  9.02 3.77 0.00 1.78 1.98 0.00 3.23 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 
  4     G  8.00 3.81 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 
  5     K  7.57 4.16 0.00 1.76 1.64 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.36 7.81