NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  2     H  4.7313 8.4449 117.8339 55.9057 29.2233 172.4066
  3     H  4.3862 8.5261 122.1578 54.1626 29.9261 175.0667
  4     A  4.3748 9.0473 127.0546 51.7513 21.2579 175.6695
  5     S  4.6632 8.4113 111.7489 56.6714 64.1498 172.3027
  6     P  4.1623 0.0000   0.0000 62.5356 31.7576 175.3700
  7     R  4.7091 8.3150 117.0836 54.1684 32.5071 175.4898
  8     K  4.1324 8.4419 118.2133 56.5670 32.3582 175.6543

  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   
  2     H  8.44 4.73 0.00 3.15 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  3     H  8.53 4.39 0.00 3.25 3.23 0.00 5.70 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 
  4     A  9.05 4.37 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 
  5     S  8.41 4.66 0.00 3.87 3.81 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     P  0.00 4.16 0.00 2.04 2.01 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 
  7     R  8.32 4.71 0.00 1.87 1.87 0.00 2.99 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 
  8     K  8.44 4.13 0.00 1.68 1.68 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.45 7.81