NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     C  4.3890 8.4549 115.4171 54.9403 41.9569 173.0205
  2     Y  4.0403 8.1235 118.9587 56.6587 38.1862 175.0570
  3     I  3.5932 9.5165 127.0682 64.5736 39.0846 176.4101
  4     Q  4.4484 8.0797 115.2092 56.6869 28.3618 175.8811
  5     N  4.9314 8.4721 113.6266 53.9279 43.7708 174.0444
  6     C  4.3871 7.7898 115.9035 56.8671 40.7982 172.0083
  7     P  4.3390 0.0000   0.0000 63.7308 30.9127 173.9887
  8     L  3.7484 7.9621 119.5291 55.2851 40.6646 175.1553
  9     G  3.7531 7.7570 112.3046 45.8811  0.0000 173.1920

  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  8.45 4.39 0.00 3.07 3.11 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     Y  8.12 4.04 0.00 3.17 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 
  3     I  9.52 3.59 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.24 0.96 0.00 0.00 
  4     Q  8.08 4.45 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 
  5     N  8.47 4.93 0.00 2.67 3.07 0.00 0.00 7.12 7.25 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     C  7.79 4.39 0.00 3.23 3.01 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 
  7     P  0.00 4.34 0.00 2.03 2.00 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 
  8     L  7.96 3.75 0.00 1.79 1.68 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 
  9     G  7.76 3.75 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