NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.3893 8.3193 115.4113 57.8691 64.2434 173.4166
  2     E  3.9876 8.5687 121.4758 55.2857 30.4555 173.8699
  3     I  4.1319 7.6879 118.9593 58.9171 40.9522 175.0843
  4     E  4.1634 8.1113 124.4306 54.8973 30.0346 175.7917
  5     F  4.3816 8.4936 125.0443 56.8226 39.9283 175.6079
  6     A  4.4315 8.4523 127.3880 51.6985 19.7520 176.4354
  7     R  4.7112 8.0376 116.9056 54.3493 32.3616 176.8496
  8     L  4.1825 8.3914 119.5917 55.2240 41.6126 177.1243

  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  8.32 4.39 0.00 3.98 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     E  8.57 3.99 0.00 2.17 2.05 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 2.28 2.34 0.00 
  3     I  7.69 4.13 1.68 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 0.99 0.73 0.36 0.00 0.00 
  4     E  8.11 4.16 0.00 1.89 1.75 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 2.24 2.31 0.00 
  5     F  8.49 4.38 0.00 3.08 2.97 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     A  8.45 4.43 1.29 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 
  7     R  8.04 4.71 0.00 1.81 1.85 0.00 3.23 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 
  8     L  8.39 4.18 0.00 1.63 1.58 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00