NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2052 8.3101 121.7916 56.0633 33.1169 175.4166
  2     A  4.1464 8.4306 129.4794 49.6293 19.2430 171.9678
  3     V  3.9011 8.0692 120.2778 61.6156 33.2150 173.5140
  4     Y  4.8652 8.1749 119.3980 55.2515 40.0607 175.3553
  5     N  4.8098 8.6794 120.0326 52.9453 40.8891 176.7060
  6     F  4.9295 8.0080 123.3672 57.3548 37.8646 178.7525
  7     A  3.9653 8.9054 119.9766 51.8229 18.3449 177.7766
  8     T  4.1324 8.1193 111.2436 61.3827 69.6926 174.4378
  9     M  4.2355 8.4436 120.4698 55.8473 31.9337 176.6077

  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     K  8.31 4.21 0.00 1.75 1.83 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.47 7.81 
  2     A  8.43 4.15 1.31 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 
  3     V  8.07 3.90 2.08 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 0.80 0.00 0.00 0.87 0.00 0.00 
  4     Y  8.17 4.87 0.00 3.05 2.92 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     N  8.68 4.81 0.00 2.80 2.84 0.00 0.00 6.89 7.45 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     F  8.01 4.93 0.00 2.82 2.19 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     A  8.91 3.97 1.27 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     T  8.12 4.13 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 1.20 0.00 0.00 
  9     M  8.44 4.24 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00