NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     V  4.0380 8.0393 114.0578 61.3534 32.8979 174.8002
  2     D  4.6030 8.2455 122.5367 51.2787 41.3109 174.5189
  3     S  4.4198 9.0603 116.5690 58.4900 64.3339 175.5045
  4     K  4.6941 8.1712 121.7622 54.3278 35.9086 176.1510
  5     N  4.4526 8.8050 120.0965 53.6916 39.0457 174.3711
  6     T  4.5922 8.3044 116.9631 60.1188 69.9156 173.9823
  7     S  4.2177 8.5227 122.9625 60.2126 63.7350 174.5858
  8     S  4.2014 7.0916 114.0171 57.3140 64.4979 173.9477
  9     W  4.0562 8.1676 119.5428 57.3205 28.3985 174.4961

  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     V  8.04 4.04 2.10 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 0.93 0.00 0.00 0.94 0.00 0.00 
  2     D  8.25 4.60 0.00 2.85 2.69 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 
  3     S  9.06 4.42 0.00 3.90 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 
  4     K  8.17 4.69 0.00 1.69 1.66 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.51 7.81 
  5     N  8.80 4.45 0.00 2.71 2.77 0.00 0.00 6.70 7.54 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     T  8.30 4.59 4.37 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 1.47 0.00 0.00 
  7     S  8.52 4.22 0.00 3.91 3.89 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 
  8     S  7.09 4.20 0.00 3.20 3.38 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 
  9     W  8.17 4.06 0.00 3.74 3.19 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