NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.3924 8.3049 120.3265 54.3126 33.4028 176.4989
  2     S  4.1513 7.4560 110.1059 57.9332 66.3124 174.2754
  3     C  4.5697 8.1447 121.7757 58.4112 35.1064 172.8609
  4     D  4.5993 8.7395 126.9607 53.2905 40.0178 175.6661
  5     K  4.3260 7.9876 119.6487 55.4707 35.0663 175.5125
  6     S  4.4841 8.5789 121.2483 58.6142 63.9456 173.3728
  7     T  4.5960 7.9387 109.3800 60.8515 71.0676 172.8086
  8     Q  4.5558 8.3379 124.1803 54.6655 32.1203 173.9914
  9     T  4.0456 8.6496 113.2517 62.2943 68.4774 173.7121

  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     M  8.30 4.39 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 
  2     S  7.46 4.15 0.00 3.87 3.74 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     C  8.14 4.57 0.00 2.86 2.74 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     D  8.74 4.60 0.00 2.80 2.65 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  7.99 4.33 0.00 1.67 1.67 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.45 7.81 
  6     S  8.58 4.48 0.00 4.02 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 
  7     T  7.94 4.60 4.24 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 1.27 0.00 0.00 
  8     Q  8.34 4.56 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.04 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 
  9     T  8.65 4.05 4.24 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 1.21 0.00 0.00