NUM RES   HA     H       N        CA      CB       C
 --- --- ------ ------ -------- ------- ------- --------
  1     S  4.4211 8.3349 115.2943 57.9553 63.5472 173.5796
  2     R  4.0640 8.3757 126.1702 54.6362 30.8150 174.5916
  3     R  4.1470 8.4844 120.7996 55.9446 31.7314 176.0345
  4     W  4.1022 8.9868 135.0000 60.4652 31.0674 176.7440
  5     R  3.8488 7.7961 116.1194 55.7226 30.1136 176.0747
  6     R  4.1997 7.2185 116.5925 53.8321 32.4369 174.6962
  7     W  5.1162 8.3311 118.4584 54.7923 32.8513 175.1498
  8     N  4.5837 8.7914 120.1658 53.1922 38.8092 175.3606
  9     R  4.1460 8.4706 118.9484 56.6807 30.2026 176.6773

  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     S  8.33 4.42 0.00 3.87 3.86 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 
  2     R  8.38 4.06 0.00 1.96 1.85 0.00 3.26 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 
  3     R  8.48 4.15 0.00 1.83 1.87 0.00 3.53 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 
  4     W  8.99 4.10 0.00 3.40 3.07 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  7.80 3.85 0.00 1.58 1.09 0.00 3.29 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 
  6     R  7.22 4.20 0.00 1.61 1.49 0.00 2.75 0.00 0.00 2.85 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.35 0.00 
  7     W  8.33 5.12 0.00 3.33 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 
  8     N  8.79 4.58 0.00 2.74 2.78 0.00 0.00 7.09 7.66 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 
  9     R  8.47 4.15 0.00 1.82 1.86 0.00 3.25 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00