NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.2943 8.4444 118.8023 55.8632 30.9010 174.8033
  2     Q  4.1295 8.3787 120.6570 55.1012 29.8252 173.1405
  3     Y  4.4515 9.0994 123.1598 56.1721 41.0024 174.8808
  4     K  4.1618 6.9035 123.9605 54.6165 31.9322 176.8893
  5     F  4.2751 8.5518 122.7117 57.1945 39.6365 174.8789
  6     Y  4.7781 8.3767 122.8727 55.9054 40.1992 175.1716
  7     S  4.0937 8.4227 123.5469 58.1604 64.0812 175.3542
  8     V  3.7977 8.0630 113.9517 61.7888 31.4236 176.4386

  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     E  8.44 4.29 0.00 2.12 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 0.00 2.20 2.34 0.00 
  2     Q  8.38 4.13 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.88 0.00 0.00 0.00 0.00 0.00 2.53 2.70 0.00 
  3     Y  9.10 4.45 0.00 2.63 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 
  4     K  6.90 4.16 0.00 1.33 1.47 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.32 7.81 
  5     F  8.55 4.28 0.00 3.10 3.15 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 
  6     Y  8.38 4.78 0.00 2.78 2.92 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     S  8.42 4.09 0.00 3.63 3.70 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     V  8.06 3.80 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 0.66 0.00 0.00 0.89 0.00 0.00