NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  -1    P  4.4106 0.0000   0.0000 62.1021 32.8112 176.2327
  0     S  4.1193 8.4544 118.6072 57.3411 63.4005 172.2335
  1     Y  4.2773 9.2505 125.7281 57.5939 39.9900 173.3944
  3     P  4.7745 0.0000   0.0000 62.3840 32.9386 175.8219
  4     T  4.3784 7.5821 107.3086 60.9707 69.1597 174.3934
  5     S  4.2524 7.4716 117.9658 57.3314 63.8802 172.2872
  6     P  4.3984 0.0000   0.0000 62.9281 31.2660 175.9630

  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    P  0.00 4.41 0.00 2.06 2.04 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 
  0     S  8.45 4.12 0.00 3.96 3.83 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 
  1     Y  9.25 4.28 0.00 2.91 2.92 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     P  0.00 4.77 0.00 2.04 2.09 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.08 0.00 
  4     T  7.58 4.38 4.20 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 1.17 0.00 0.00 
  5     S  7.47 4.25 0.00 3.88 3.69 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 4.40 0.00 2.19 2.06 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00