NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4080 8.3349 116.7996 58.2395 64.1964 173.5831
  2     E  4.2473 8.4732 123.5676 54.0046 30.5462 174.5555
  3     F  4.9305 8.0967 113.6417 55.1021 41.8782 173.9508
  4     L  4.1632 8.6944 123.2575 53.7569 41.3835 175.5081
  5     L  3.7717 7.4772 126.7579 55.1457 42.4475 176.4487
  6     E  4.7450 9.0628 123.3417 55.6046 30.9248 175.5596
  7     K  4.7642 7.9484 117.4630 54.8889 35.3926 175.6219
  8     R  4.6813 8.2046 118.8564 53.9805 33.6928 175.5291
  9     I  3.8904 8.3981 113.7671 61.2933 37.5116 175.7906

  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     S  8.33 4.41 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 
  2     E  8.47 4.25 0.00 2.01 1.84 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 2.31 2.35 0.00 
  3     F  8.10 4.93 0.00 3.03 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 
  4     L  8.69 4.16 0.00 1.64 1.73 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 
  5     L  7.48 3.77 0.00 1.49 1.53 0.78 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 
  6     E  9.06 4.74 0.00 2.03 1.96 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 2.39 2.47 0.00 
  7     K  7.95 4.76 0.00 1.83 1.78 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.45 7.81 
  8     R  8.20 4.68 0.00 1.77 1.82 0.00 3.22 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 
  9     I  8.40 3.89 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.53 0.91 0.00 0.00