NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4521 8.3349 115.3007 57.9072 63.5170 173.6442
  2     R  4.1216 8.5058 126.5046 55.1757 30.7688 174.0692
  3     Y  4.3409 8.2270 121.3242 56.6599 40.5332 173.3169
  4     W  3.7800 7.7328 124.2662 55.8425 28.2805 177.5925
  5     A  3.3729 6.2231 119.9167 51.0197 16.4397 176.8345
  6     I  4.1825 8.0930 125.3337 60.3723 37.9148 175.8997
  7     R  4.4972 8.2269 125.8203 54.9374 32.6037 174.6366
  8     T  4.2513 8.3451 115.5386 61.1840 69.9944 174.7737
  9     R  4.1189 8.3550 120.2923 56.6669 30.2038 176.6837

  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 4.45 0.00 3.90 3.93 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  8.51 4.12 0.00 2.03 1.95 0.00 3.31 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 
  3     Y  8.23 4.34 0.00 2.66 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     W  7.73 3.78 0.00 3.30 2.95 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     A  6.22 3.37 0.83 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 
  6     I  8.09 4.18 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.91 0.00 0.00 
  7     R  8.23 4.50 0.00 1.70 1.77 0.00 3.29 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 
  8     T  8.35 4.25 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 
  9     R  8.35 4.12 0.00 1.82 1.88 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00