NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     R  4.3205 8.2549 119.7089 56.1080 31.5177 175.2870
  2     M  4.1958 8.4113 121.9509 53.7107 32.8134 175.2125
  3     F  4.4004 9.3710 124.4971 57.5967 41.1105 173.4740
  4     P  4.2016 0.0000   0.0000 64.5846 31.3680 176.2791
  5     N  4.8778 6.9774 112.8174 51.0272 41.6191 173.4019
  6     A  4.6879 8.1896 123.5234 49.5494 20.3973 175.1151
  7     P  4.3385 0.0000   0.0000 62.5638 32.2725 176.0197
  8     Y  4.2717 8.2287 118.9851 57.9108 38.3464 176.1979
  9     L  4.2209 8.7090 123.6764 55.1909 41.6834 176.9455

  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     R  8.25 4.32 0.00 1.83 1.95 0.00 3.17 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 
  2     M  8.41 4.20 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 
  3     F  9.37 4.40 0.00 2.88 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 
  4     P  0.00 4.20 0.00 1.61 1.88 0.00 2.70 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 
  5     N  6.98 4.88 0.00 2.65 2.62 0.00 0.00 6.70 7.35 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     A  8.19 4.69 1.18 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 
  7     P  0.00 4.34 0.00 2.22 2.11 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 
  8     Y  8.23 4.27 0.00 3.06 2.91 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 
  9     L  8.71 4.22 0.00 1.69 1.63 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00