NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     Q  4.2947 8.3444 121.7205 55.3446 29.2319 173.8471
  2     Y  3.8934 8.2528 122.5382 56.6032 39.4484 174.0228
  3     D  4.5438 7.6332 125.6282 52.7696 42.4292 176.4438
  4     D  4.7174 8.5344 127.5790 54.2197 38.8447 174.5439
  5     A  4.3491 8.1104 125.1487 51.2733 21.1733 177.6705
  6     V  3.1268 7.7745 112.3440 63.9874 29.4174 172.0262
  7     Y  4.3044 7.1185 118.3422 56.4618 39.1662 176.5863
  8     K  4.5171 8.4426 121.1918 54.3918 34.5156 176.3097
  9     L  4.2210 8.7208 122.9928 55.0371 41.5119 177.3828

  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     Q  8.34 4.29 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 
  2     Y  8.25 3.89 0.00 2.99 2.89 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 
  3     D  7.63 4.54 0.00 2.50 2.25 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 0.00 
  4     D  8.53 4.72 0.00 2.74 2.62 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  8.11 4.35 1.38 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     V  7.77 3.13 2.07 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 0.76 0.00 0.00 0.93 0.00 0.00 
  7     Y  7.12 4.30 0.00 3.07 2.96 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     K  8.44 4.52 0.00 1.75 1.78 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.62 7.81 
  9     L  8.72 4.22 0.00 1.69 1.62 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00