NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4166 8.3349 115.2932 57.7346 63.1204 173.5986
  2     L  4.1147 8.3520 127.9838 53.2433 42.2584 176.1421
  3     F  4.4570 8.7973 123.0216 58.4976 40.8886 172.9228
  4     N  3.9940 7.1193 123.9791 54.7951 38.4655 175.6818
  5     T  4.0150 7.3159 119.5792 60.5373 68.8056 174.1779
  6     I  4.4670 7.7406 120.8551 59.4113 39.2475 175.9184
  7     A  4.2374 8.5348 127.0490 51.8269 19.1502 177.2079
  8     V  4.0144 8.0630 120.6208 62.0612 32.8232 175.9020
  9     L  4.2403 8.2927 124.6515 55.2158 41.9548 176.2428

  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 4.42 0.00 3.86 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     L  8.35 4.11 0.00 1.78 1.64 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 
  3     F  8.80 4.46 0.00 2.90 3.00 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 
  4     N  7.12 3.99 0.00 2.50 2.28 0.00 0.00 7.05 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 
  5     T  7.32 4.01 4.15 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 1.09 0.00 0.00 
  6     I  7.74 4.47 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.55 0.93 0.00 0.00 
  7     A  8.53 4.24 1.32 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 
  8     V  8.06 4.01 2.09 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 0.81 0.00 0.00 0.94 0.00 0.00 
  9     L  8.29 4.24 0.00 1.65 1.53 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00