NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  5     D  4.6456 8.3493 120.3224 53.6465 39.5778 173.8242
  6     T  4.1920 8.7431 119.6003 61.0731 69.4867 169.4784
  7     Y  3.8373 9.6910 123.9435 57.0115 40.5275 168.4004
  8     A  3.9488 8.8958 133.3389 51.9588 18.6356 177.1309
  9     A  4.3476 8.5019 125.1375 51.3158 19.0645 176.9001
  10    T  4.4687 8.2555 113.7765 59.8559 70.4397 173.2403
  11    P  4.5560 0.0000   0.0000 62.7418 32.5211 176.1470
  12    R  4.1299 8.1344 118.4045 56.8960 30.0196 174.6184

  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   
  5     D  8.35 4.65 0.00 2.82 2.81 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     T  8.74 4.19 4.23 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 1.22 0.00 0.00 
  7     Y  9.69 3.84 0.00 3.08 3.14 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     A  8.90 3.95 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 
  9     A  8.50 4.35 1.26 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 
  10    T  8.26 4.47 4.25 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 1.23 0.00 0.00 
  11    P  0.00 4.56 0.00 2.18 2.09 0.00 3.50 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 
  12    R  8.13 4.13 0.00 1.71 1.76 0.00 3.31 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00