NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     I  4.1096 8.0249 114.2707 60.6741 38.8469 175.0988
  2     M  4.1112 8.2415 121.5759 53.8672 32.6499 174.2515
  3     D  4.5754 9.0117 121.4244 53.6752 43.0655 174.9762
  4     Q  4.2899 8.2326 121.4455 54.5023 29.5326 176.4740
  5     V  3.5326 8.2178 118.3299 61.8880 31.2528 174.5155
  6     P  4.5668 0.0000   0.0000 62.1492 32.2595 175.9372
  7     F  4.3225 8.6221 118.4562 56.9944 39.7994 176.0408
  8     S  4.3921 8.4596 119.6653 58.3875 63.4684 174.9742
  9     V  3.8387 8.2671 115.3324 61.8577 31.2964 176.2990

  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 4.11 1.87 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 1.42 1.13 0.91 0.00 0.00 
  2     M  8.24 4.11 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 
  3     D  9.01 4.58 0.00 2.65 2.60 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     Q  8.23 4.29 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 
  5     V  8.22 3.53 2.01 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 0.59 0.00 0.00 0.84 0.00 0.00 
  6     P  0.00 4.57 0.00 2.24 2.12 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 
  7     F  8.62 4.32 0.00 3.03 3.04 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     S  8.46 4.39 0.00 3.91 3.83 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 
  9     V  8.27 3.84 2.10 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 0.68 0.00 0.00 0.95 0.00 0.00