NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2050 8.3101 121.7916 56.1618 33.3870 175.1943
  2     A  4.2385 8.3872 128.8061 49.2616 19.5733 172.3175
  3     V  3.8773 8.0811 120.6274 61.5556 33.0790 173.9216
  4     F  5.0307 8.0748 115.3989 55.1024 40.2834 174.7428
  5     N  4.8408 8.7779 120.7533 52.8539 40.7075 176.9149
  6     F  5.0362 8.0295 122.5682 57.5842 37.8870 178.8419
  7     A  3.9880 8.6848 119.7533 51.7334 18.3877 177.8291
  8     T  4.1812 8.0901 111.2395 61.2406 69.8196 174.5662
  9     M  4.2338 8.4492 120.4980 55.8547 31.9304 176.6076

  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     K  8.31 4.21 0.00 1.75 1.81 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.47 7.81 
  2     A  8.39 4.24 1.31 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     V  8.08 3.88 2.06 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 0.79 0.00 0.00 0.84 0.00 0.00 
  4     F  8.07 5.03 0.00 3.09 3.00 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     N  8.78 4.84 0.00 2.82 2.85 0.00 0.00 6.88 7.45 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     F  8.03 5.04 0.00 2.79 2.16 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     A  8.68 3.99 1.19 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 
  8     T  8.09 4.18 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 1.20 0.00 0.00 
  9     M  8.45 4.23 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00