NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     E  4.3424 8.4449 120.2296 56.0175 30.9123 175.6063
  2     E  4.0880 8.5742 122.7643 54.9538 30.3040 175.3818
  3     F  4.7781 8.8403 123.8164 58.2033 40.7884 175.4563
  4     G  3.7164 8.9067 116.0401 46.2617  0.0000 173.1854
  5     R  4.0348 6.2554 119.1519 54.1210 31.1653 175.5006
  6     A  4.3904 8.1031 125.4431 49.6593 20.3086 175.2722
  7     A  4.1477 8.3899 124.8928 53.0772 19.1687 177.3327
  8     S  4.5521 8.3697 117.3992 57.7112 64.0148 174.6557
  9     F  4.4269 8.9465 120.8721 58.1183 38.6006 175.3435

  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 4.34 0.00 1.99 1.99 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 2.23 2.35 0.00 
  2     E  8.57 4.09 0.00 2.08 1.94 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 2.35 2.38 0.00 
  3     F  8.84 4.78 0.00 2.84 2.94 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     G  8.91 3.72 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 0.00 
  5     R  6.26 4.03 0.00 0.83 1.57 0.00 3.18 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.35 0.00 
  6     A  8.10 4.39 1.15 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 0.00 0.00 
  7     A  8.39 4.15 1.28 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     S  8.37 4.55 0.00 3.92 3.84 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 
  9     F  8.95 4.43 0.00 2.90 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