NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     I  4.0430 8.0244 114.2721 60.6162 38.7952 174.9194
  2     N  4.4874 8.3614 121.1762 51.8235 40.0637 173.1419
  3     F  4.6538 9.1159 123.1661 57.2776 41.2359 174.4990
  4     D  4.1686 7.4058 125.8417 52.7880 40.0829 176.6066
  5     F  4.5897 7.7115 123.3906 57.3170 39.5590 175.3521
  6     N  4.7111 8.6725 123.0458 53.0298 39.9764 174.0298
  7     T  4.5206 8.0108 110.5394 59.9881 70.5170 174.8558
  8     I  3.9337 8.1544 115.3014 61.3313 37.8242 175.7329

  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     I  8.02 4.04 1.86 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 1.31 1.14 0.91 0.00 0.00 
  2     N  8.36 4.49 0.00 2.74 2.67 0.00 0.00 6.96 6.14 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     F  9.12 4.65 0.00 2.94 3.07 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  7.41 4.17 0.00 2.21 2.31 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     F  7.71 4.59 0.00 3.03 2.87 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     N  8.67 4.71 0.00 2.78 2.81 0.00 0.00 7.01 7.70 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  8.01 4.52 4.25 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 1.23 0.00 0.00 
  8     I  8.15 3.93 1.86 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 1.26 0.47 0.89 0.00 0.00