NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     M  4.3511 8.3049 118.1907 55.1890 32.4467 173.7773
  2     D  4.7573 8.1252 117.5218 52.7165 42.8540 174.6481
  3     W  4.8428 8.3182 122.1762 55.8369 31.0898 174.7500
  4     N  4.9247 7.7540 113.4855 51.9968 39.0473 175.2068
  5     M  4.0822 8.7195 119.6922 58.7985 32.4255 177.6944
  6     H  4.2056 8.4394 117.3766 59.0321 30.2679 176.1848
  7     A  4.1065 8.7624 121.5116 54.6277 18.5714 177.0919
  8     A  4.1201 7.9003 122.7247 52.6377 18.3291 177.0781

  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     M  8.30 4.35 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.35 0.00 
  2     D  8.13 4.76 0.00 2.62 2.55 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     W  8.32 4.84 0.00 3.26 3.20 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     N  7.75 4.92 0.00 2.96 2.95 0.00 0.00 6.14 7.66 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     M  8.72 4.08 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 
  6     H  8.44 4.21 0.00 3.14 3.53 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  7     A  8.76 4.11 1.41 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 0.00 0.00 
  8     A  7.90 4.12 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