NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     D  4.5006 8.3601 120.1925 53.1939 42.4863 176.1279
  2     A  4.4380 8.1572 120.4561 51.5516 22.7231 173.2094
  3     E  4.8093 8.5629 116.2100 56.0428 31.8748 174.7273
  4     F  4.4634 8.3991 120.0819 58.4498 39.9895 174.6962
  5     R  4.1322 8.7808 126.9031 57.2103 29.3492 175.6616
  6     H  4.2104 9.9749 125.0647 55.8818 29.0389 175.3663
  7     D  4.3784 8.9733 117.6205 56.3680 42.9877 175.6226
  8     S  3.6577 6.8050 121.3883 58.0918 62.3180 172.6553

  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     D  8.36 4.50 0.00 2.67 2.54 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 0.00 0.00 0.00 0.00 
  2     A  8.16 4.44 1.33 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     E  8.56 4.81 0.00 1.93 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 2.22 2.29 0.00 
  4     F  8.40 4.46 0.00 2.90 2.88 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     R  8.78 4.13 0.00 1.86 1.86 0.00 3.39 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 
  6     H  9.97 4.21 0.00 3.21 3.38 0.00 5.80 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 
  7     D  8.97 4.38 0.00 2.62 2.54 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 0.00 0.00 0.00 0.00 
  8     S  6.80 3.66 0.00 3.70 3.84 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