NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.2523 8.4331 121.4701 55.7523 30.7769 175.5257
  2     G  3.6372 8.4955 114.8658 43.6012  0.0000 171.4025
  3     S  4.5331 9.0507 115.8900 56.9482 65.6398 172.3795
  4     R  4.4487 8.0967 120.3510 54.2344 30.6345 176.3539
  5     N  4.5269 8.6060 120.6808 53.6283 40.7384 175.6885
  6     Q  4.1526 8.2811 122.4145 56.1829 27.2972 178.7588
  7     D  3.8118 8.7174 109.8483 53.1543 41.9456 174.5987
  8     W  4.5388 7.0397 124.3274 56.0720 30.0353 176.4507
  9     L  4.2377 8.5143 118.2327 55.3943 41.0803 177.4359

  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     E  8.43 4.25 0.00 1.94 1.92 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 2.19 2.32 0.00 
  2     G  8.50 3.64 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 0.00 
  3     S  9.05 4.53 0.00 3.97 3.86 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 0.00 0.00 0.00 
  4     R  8.10 4.45 0.00 1.77 1.89 0.00 3.20 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 
  5     N  8.61 4.53 0.00 2.71 2.73 0.00 0.00 7.06 7.69 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     Q  8.28 4.15 0.00 1.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 
  7     D  8.72 3.81 0.00 2.48 2.41 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     W  7.04 4.54 0.00 3.31 3.17 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     L  8.51 4.24 0.00 1.71 1.63 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00