NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.4685 8.3444 120.8382 59.1070 31.5153 172.9024
  2     H  4.0625 8.4060 127.9708 53.4186 30.1947 173.5804
  3     P  4.2606 0.0000   0.0000 64.1591 32.6840 176.8323
  4     Q  4.0882 7.9143 120.6581 58.8660 29.0288 175.3199
  5     N  5.1091 7.7267 111.2697 51.4363 42.6697 174.2402
  6     T  4.1230 8.3510 112.4539 62.4670 67.4645 174.2132

  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     C  8.34 4.47 0.00 2.95 2.95 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 
  2     H  8.41 4.06 0.00 3.29 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     P  0.00 4.26 0.00 2.18 2.09 0.00 3.17 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 
  4     Q  7.91 4.09 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 
  5     N  7.73 5.11 0.00 2.71 2.68 0.00 0.00 6.80 7.54 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  8.35 4.12 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 1.21 0.00 0.00