NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3706 8.3344 115.2879 57.8018 63.4989 173.3180
  2     I  3.6629 8.1781 127.9548 59.5468 38.5951 173.7872
  3     I  3.6674 8.4602 126.9117 60.5589 39.3666 174.8161
  4     N  4.4299 8.2598 122.9090 52.9657 38.7181 175.3241
  5     F  4.3100 8.5617 122.6103 56.9854 39.8787 175.1452
  6     E  4.3077 8.6267 125.0583 55.3484 30.3840 176.0811
  7     K  4.2897 9.0917 123.9622 56.1931 33.6655 177.1104
  8     L  4.2381 8.4239 121.3965 55.9359 40.7059 176.3051

  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 4.37 0.00 3.83 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 
  2     I  8.18 3.66 1.91 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.07 0.94 0.00 0.00 
  3     I  8.46 3.67 1.60 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 -0.02 0.00 0.00 
  4     N  8.26 4.43 0.00 2.69 2.73 0.00 0.00 7.00 7.45 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     F  8.56 4.31 0.00 3.08 2.98 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     E  8.63 4.31 0.00 1.94 1.91 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 2.32 2.39 0.00 
  7     K  9.09 4.29 0.00 1.88 1.82 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.39 7.81 
  8     L  8.42 4.24 0.00 1.75 1.69 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00