NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     K  4.1569 8.3101 121.7864 56.1074 33.3791 175.2827
  2     A  4.0946 8.2873 128.7473 50.3829 19.3671 172.1099
  3     V  3.7607 8.2962 120.3575 63.1420 33.1126 173.9377
  4     Y  4.7421 8.0459 123.6102 55.2352 39.6003 174.6187
  5     N  4.5557 8.7249 123.9418 53.7026 40.9570 175.0720
  6     F  4.1187 9.1811 118.5947 57.5330 38.6182 178.4502
  7     A  4.1086 9.3714 127.1342 52.6360 19.3331 178.9799
  8     T  4.1544 8.2481 112.8521 61.3047 69.7383 174.3395
  9     M  4.2415 8.4064 120.0179 55.7715 31.9581 176.6659

  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 4.16 0.00 1.70 1.77 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.47 7.81 
  2     A  8.29 4.09 1.21 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  8.30 3.76 2.12 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 0.90 0.00 0.00 0.98 0.00 0.00 
  4     Y  8.05 4.74 0.00 2.72 2.41 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  8.72 4.56 0.00 2.73 2.79 0.00 0.00 7.05 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  9.18 4.12 0.00 2.96 2.66 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  9.37 4.11 1.27 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  8.25 4.15 4.25 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 1.21 0.00 0.00 
  9     M  8.41 4.24 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00