PDBx/mmCIF
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Data Category nef_peak

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General

Category name
nef_peak
Required in PDB entries
no
Category group membership
nef_group
Used in current PDB entries
No

Category Relationship Diagrams

70
View full category relationship diagram including all dictionary data categories

Category Description 

 The data items in the NEF_PEAK category enumerates the list of spectrum peaks and associated assignments.

Category Examples

2

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Category Example1

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  loop_

      _nef_peak.index
      _nef_peak.peak_id
      _nef_peak.volume
      _nef_peak.volume_uncertainty
      _nef_peak.height
      _nef_peak.height_uncertainty
      _nef_peak.position_1
      _nef_peak.position_uncertainty_1
      _nef_peak.position_2
      _nef_peak.position_uncertainty_2
      _nef_peak.position_3
      _nef_peak.position_uncertainty_3
      _nef_peak.chain_code_1
      _nef_peak.sequence_code_1
      _nef_peak.residue_name_1
      _nef_peak.atom_name_1
      _nef_peak.chain_code_2
      _nef_peak.sequence_code_2
      _nef_peak.residue_name_2
      _nef_peak.atom_name_2
      _nef_peak.chain_code_3
      _nef_peak.sequence_code_3
      _nef_peak.residue_name_3
      _nef_peak.atom_name_3

  #key: index

 1  1 7.3E7 5.1E6 3.3E7 1.1E6  3.2 0.05 119.5 0.5 8.3 0.03 A 19 LEU HBY A 17 GLN N   A 17 GLN H
 2  1 7.3E7 5.1E6 3.3E7 1.1E6  3.2 0.05 119.5 0.5 8.3 0.03 A 20 CYS HBX A 17 GLN N   A 17 GLN H
 3  1 7.3E7 5.1E6 3.3E7 1.1E6  3.2 0.05 119.5 0.5 8.3 0.03 A 19 LEU HBY A 19 TYR N   A 19 TYR H
 4  1 7.3E7 5.1E6 3.3E7 1.1E6  3.2 0.05 119.5 0.5 8.3 0.03 A 20 CYS HBX A 19 TYR N   A 19 TYR H
 5  1 7.3E7 5.1E6 3.3E7 1.1E6  3.2 0.05 119.5 0.5 8.3 0.03 A 14 TRP HB3 A 18 PHE N   A 18 PHE H
 6  3 5.4E7 7.3E6 3.4E7 5.3E6  4.4 0.05 106.5 0.5 7.8 0.03 .  .   .   . A 15 GLY N   A 15 GLY H
 7  4 8.8E7 1.3E7 4.8E7 3.3E6  3.2 0.05 135.6 0.5 9.9 0.03 A 14 TRP HB3 A 14 TRP NE1 A 14 TRP HE1
 8  5 8.8E7 1.3E7 5.8E7 2.3E7  3.4 0.05 135.6 0.5 9.9 0.03 A 14 TRP HB2 A 14 TRP NE1 A 14 TRP HE1
 9  5 8.8E7 1.3E7 5.8E7 2.3E7  3.4 0.05 135.6 0.5 9.9 0.03 A 24 ASP HBY A 14 TRP NE1 A 14 TRP HE1
10  7 5.9E7 7.1E6 2.9E7 6.1E6  1.7 0.05 118.3 0.5 9.1 0.03 E 6B SER   . X @5 GLX N   X @5 GLX H
  stop_

Category Example2

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    loop_
      _nef_peak.index
      _nef_peak.peak_id
      _nef_peak.volume
      _nef_peak.volume_uncertainty
      _nef_peak.height
      _nef_peak.height_uncertainty
      _nef_peak.position_1
      _nef_peak.position_uncertainty_1
      _nef_peak.position_2
      _nef_peak.position_uncertainty_2
      _nef_peak.position_3
      _nef_peak.position_uncertainty_3
      _nef_peak.position_4
      _nef_peak.position_uncertainty_4
      _nef_peak.position_5
      _nef_peak.position_uncertainty_5
      _nef_peak.position_6
      _nef_peak.position_uncertainty_6
      _nef_peak.position_7
      _nef_peak.position_uncertainty_7
      _nef_peak.position_8
      _nef_peak.position_uncertainty_8
      _nef_peak.position_9
      _nef_peak.position_uncertainty_9
      _nef_peak.position_10
      _nef_peak.position_uncertainty_10
      _nef_peak.position_11
      _nef_peak.position_uncertainty_11
      _nef_peak.position_12
      _nef_peak.position_uncertainty_12
      _nef_peak.position_13
      _nef_peak.position_uncertainty_13
      _nef_peak.position_14
      _nef_peak.position_uncertainty_14
      _nef_peak.position_15
      _nef_peak.position_uncertainty_15
      _nef_peak.chain_code_1
      _nef_peak.sequence_code_1
      _nef_peak.residue_name_1
      _nef_peak.atom_name_1
      _nef_peak.chain_code_2
      _nef_peak.sequence_code_2
      _nef_peak.residue_name_2
      _nef_peak.atom_name_2
      _nef_peak.chain_code_3
      _nef_peak.sequence_code_3
      _nef_peak.residue_name_3
      _nef_peak.atom_name_3
      _nef_peak.chain_code_4
      _nef_peak.sequence_code_4
      _nef_peak.residue_name_4
      _nef_peak.atom_name_4
      _nef_peak.chain_code_5
      _nef_peak.sequence_code_5
      _nef_peak.residue_name_5
      _nef_peak.atom_name_5
      _nef_peak.chain_code_6
      _nef_peak.sequence_code_6
      _nef_peak.residue_name_6
      _nef_peak.atom_name_6
      _nef_peak.chain_code_7
      _nef_peak.sequence_code_7
      _nef_peak.residue_name_7
      _nef_peak.atom_name_7
      _nef_peak.chain_code_8
      _nef_peak.sequence_code_8
      _nef_peak.residue_name_8
      _nef_peak.atom_name_8
      _nef_peak.chain_code_9
      _nef_peak.sequence_code_9
      _nef_peak.residue_name_9
      _nef_peak.atom_name_9
      _nef_peak.chain_code_10
      _nef_peak.sequence_code_10
      _nef_peak.residue_name_10
      _nef_peak.atom_name_10
      _nef_peak.chain_code_11
      _nef_peak.sequence_code_11
      _nef_peak.residue_name_11
      _nef_peak.atom_name_11
      _nef_peak.chain_code_12
      _nef_peak.sequence_code_12
      _nef_peak.residue_name_12
      _nef_peak.atom_name_12
      _nef_peak.chain_code_13
      _nef_peak.sequence_code_13
      _nef_peak.residue_name_13
      _nef_peak.atom_name_13
      _nef_peak.chain_code_14
      _nef_peak.sequence_code_14
      _nef_peak.residue_name_14
      _nef_peak.atom_name_14
      _nef_peak.chain_code_15
      _nef_peak.sequence_code_15
      _nef_peak.residue_name_15
      _nef_peak.atom_name_15


 1  1 7.3E7 5.1E6 3.3E7 1.1E6  
 7.2 0.05 119.5 0.4 28.3 0.3 172.2 0.5 58.5 0.4 32.3 0.4 22.2 0.5 58.5 0.4 32.3 0.4 22.2 0.5 58.5 0.4 32.3 0.4 22.2 0.5 58.5 0.4 32.3 0.4  
 A 19 LEU HN A 19 LEU N A 18 GLN C  A 19 LEU CA A 19 LEU CB A 19 LEU CG  A 19 LEU CD1 A 19 LEU CD2 A 19 LEU CG A 19 LEU CA A 19 LEU CB A 19 LEU CG A 18 GLN CA A 18 GLN CB A 18 GLN CG 
  stop_

Key Data Items

Category Data Items

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