NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.2046 8.3101 121.7914 55.9211 33.0684 175.5191
  2     A  4.0380 8.4721 129.4512 51.0354 19.0820 174.9090
  3     L  4.4148 8.1057 122.0223 54.3989 44.1286 174.0188
  4     Y  4.8770 8.1310 121.3006 55.1679 40.1406 175.3703
  5     N  4.8331 8.6382 119.8091 52.8315 40.9632 176.7811
  6     F  4.9804 8.0109 123.7893 57.4860 37.7906 178.4185
  7     A  3.9474 8.6879 120.3616 51.7490 18.3424 177.6464
  8     T  4.1942 8.0753 111.5780 61.3257 69.8730 174.5338
  9     M  4.2377 8.3749 120.1116 55.7430 32.0462 176.6548

  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 4.20 0.00 1.75 1.83 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.47 7.81 
  2     A  8.47 4.04 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     L  8.11 4.41 0.00 1.59 1.58 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 
  4     Y  8.13 4.88 0.00 3.06 2.84 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 
  5     N  8.64 4.83 0.00 2.80 2.86 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  8.01 4.98 0.00 2.83 2.25 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 0.00 0.00 0.00 0.00 
  7     A  8.69 3.95 1.22 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  8.08 4.19 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  8.37 4.24 0.00 2.04 2.03 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 2.54 0.00