NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  -2    R  4.2795 8.2431 119.7067 56.1281 31.4617 174.6591
  -1    G  3.8596 8.4910 111.6969 43.5698  0.0000 171.6980
  0     G  4.0375 8.5581 111.6353 44.1287  0.0000 170.9926
  1     A  4.6734 7.8792 119.7276 50.5131 22.0119 176.3361
  2     S  4.2859 8.4222 116.7219 58.3627 63.5511 174.3845
  3     Q  4.1396 8.5288 124.3684 55.4211 28.8648 175.5827
  4     Y  4.4835 8.5508 124.8405 56.8180 37.7422 175.1322
  5     R  4.0373 8.4383 125.7136 55.6846 30.8136 175.2922
  6     P  4.4895 0.0000   0.0000 61.4782 32.8668 174.4857
  7     S  4.5748 7.6506 112.8656 57.6494 66.2032 173.8155
  8     Q  3.9851 8.6468 119.9956 56.5036 29.4600 172.6661

  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    R  8.24 4.28 0.00 1.82 1.95 0.00 3.16 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 
  -1    G  8.49 3.86 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 
  0     G  8.56 4.04 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 
  1     A  7.88 4.67 1.21 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 
  2     S  8.42 4.29 0.00 3.87 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 
  3     Q  8.53 4.14 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.23 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 
  4     Y  8.55 4.48 0.00 2.83 2.84 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     R  8.44 4.04 0.00 1.88 1.86 0.00 3.43 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 
  6     P  0.00 4.49 0.00 1.98 1.90 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 
  7     S  7.65 4.57 0.00 3.90 3.78 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     Q  8.65 3.99 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.68 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00