NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  123   R  4.3011 8.2544 119.7081 56.0215 31.4520 173.7281
  124   K  4.5579 8.2298 120.0302 52.9552 35.5615 171.9343
  125   E  4.8122 9.0586 119.6155 55.1114 33.1199 173.5248
  126   Y  4.4909 8.6946 119.6579 56.2562 40.5681 174.7269
  127   C  4.7396 8.6669 122.1859 58.0791 29.5490 173.9026
  128   I  4.1865 8.1346 117.5312 61.2005 37.0813 174.7052

  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   
  123   R  8.25 4.30 0.00 1.80 1.95 0.00 3.17 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 
  124   K  8.23 4.56 0.00 1.81 1.78 0.00 1.95 0.00 0.00 1.38 0.00 0.00 2.55 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.24 1.50 7.81 
  125   E  9.06 4.81 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 
  126   Y  8.69 4.49 0.00 2.90 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 
  127   C  8.67 4.74 0.00 2.94 2.88 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 
  128   I  8.13 4.19 1.90 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 1.30 0.80 1.00 0.00 0.00