NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     D  4.6049 8.3644 120.5338 54.6169 41.6452 173.3739
  2     R  4.1747 7.9614 117.1697 57.2232 32.4471 176.2394
  3     L  3.5337 8.2105 120.3793 57.6160 43.3237 177.5911
  4     Y  3.6560 7.2866 113.1978 58.5455 38.2569 175.7049
  5     S  4.4849 7.3945 114.0389 58.8590 62.6335 174.4359
  6     F  4.6848 7.6981 112.9107 57.4841 37.6495 176.2443
  7     G  4.2980 8.3590 116.0002 47.1385  0.0000 174.3781
  8     L  3.9290 7.2844 123.1033 54.1995 41.6422 176.9649

  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     D  8.36 4.60 0.00 2.85 2.89 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 
  2     R  7.96 4.17 0.00 1.86 1.78 0.00 3.28 0.00 0.00 3.20 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 
  3     L  8.21 3.53 0.00 1.29 1.06 -1.02 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 
  4     Y  7.29 3.66 0.00 3.02 2.96 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     S  7.39 4.48 0.00 3.95 3.88 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     F  7.70 4.68 0.00 3.13 3.00 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 
  7     G  8.36 4.30 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 
  8     L  7.28 3.93 0.00 0.94 1.27 0.75 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00