data_353

#######################
#  Entry information  #
#######################

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Hydrogen Exchange of the Tryptophan Residues in Bovine, Goat, Guinea Pig, and 
Human alpha-Lactalbumin
;
   _BMRB_accession_number   353
   _BMRB_flat_file_name     bmr353.str
   _Entry_type              update
   _Submission_date         1995-07-31
   _Accession_date          1996-03-25
   _Entry_origination       BMRB
   _NMR_STAR_version        2.1.1
   _Experimental_method     NMR
   _Details                 .

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Harushima Yoshiaki . . 
      2 Sugai     Shintaro . . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts" 9 

   stop_

   loop_
      _Revision_date
      _Revision_keyword
      _Revision_author
      _Revision_detail

      2010-06-11 revision BMRB 'Complete natural source information'                    
      1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format'                
      1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 
      1995-07-31 original BMRB 'Last release in original BMRB flat-file format'         

   stop_

save_


#############################
#  Citation for this entry  #
#############################

save_entry_citation
   _Saveframe_category           entry_citation

   _Citation_full               
;
Harushima, Yoshiaki, Sugai, Shintaro, 
 "Hydrogen Exchange of the Tryptophan Residues in Bovine, Goat, Guinea 
 Pig, and Human alpha-Lactalbumin,"
 Biochemistry 28, 8568-8576 (1989).
;
   _Citation_title              
;
Hydrogen Exchange of the Tryptophan Residues in Bovine, Goat, Guinea Pig, and 
Human alpha-Lactalbumin
;
   _Citation_status              published
   _Citation_type                journal
   _CAS_abstract_code            .
   _MEDLINE_UI_code              .
   _PubMed_ID                    ?

   loop_
      _Author_ordinal
      _Author_family_name
      _Author_given_name
      _Author_middle_initials
      _Author_family_title

      1 Harushima Yoshiaki . . 
      2 Sugai     Shintaro . . 

   stop_

   _Journal_abbreviation         Biochemistry
   _Journal_volume               28
   _Journal_issue                .
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   8568
   _Page_last                    8576
   _Year                         1989
   _Details                      .

save_


##################################
#  Molecular system description  #
##################################

save_system_alpha-lactalbumin
   _Saveframe_category         molecular_system

   _Mol_system_name            alpha-lactalbumin
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      alpha-lactalbumin $alpha-lactalbumin 

   stop_

   _System_molecular_weight    .
   _System_oligomer_state      ?
   _System_paramagnetic        ?
   _System_thiol_state         .
   _Database_query_date        .
   _Details                    .

save_


    ########################
    #  Monomeric polymers  #
    ########################

save_alpha-lactalbumin
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                 alpha-lactalbumin
   _Molecular_mass                              .
   _Mol_thiol_state                             .
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               118
   _Mol_residue_sequence                       
;
XXXXXXXXFXXXXXXXXYXX
XXXXXWXXXXFHXXXYXXXX
XXXXXXXXXYXXFXXXXXXW
XXXXXXXHXXXXXXXXXXXF
XXXXXTDDIMCVKKILDXXX
XXYWXXHXXXXXXXXXXW
;

   loop_
      _Residue_seq_code
      _Residue_label

        1 X      2 X      3 X      4 X      5 X   
        6 X      7 X      8 X      9 PHE   10 X   
       11 X     12 X     13 X     14 X     15 X   
       16 X     17 X     18 TYR   19 X     20 X   
       21 X     22 X     23 X     24 X     25 X   
       26 TRP   27 X     28 X     29 X     30 X   
       31 PHE   32 HIS   33 X     34 X     35 X   
       36 TYR   37 X     38 X     39 X     40 X   
       41 X     42 X     43 X     44 X     45 X   
       46 X     47 X     48 X     49 X     50 TYR 
       51 X     52 X     53 PHE   54 X     55 X   
       56 X     57 X     58 X     59 X     60 TRP 
       61 X     62 X     63 X     64 X     65 X   
       66 X     67 X     68 HIS   69 X     70 X   
       71 X     72 X     73 X     74 X     75 X   
       76 X     77 X     78 X     79 X     80 PHE 
       81 X     82 X     83 X     84 X     85 X   
       86 THR   87 ASP   88 ASP   89 ILE   90 MET 
       91 CYS   92 VAL   93 LYS   94 LYS   95 ILE 
       96 LEU   97 ASP   98 X     99 X    100 X   
      101 X    102 X    103 TYR  104 TRP  105 X   
      106 X    107 HIS  108 X    109 X    110 X   
      111 X    112 X    113 X    114 X    115 X   
      116 X    117 X    118 TRP 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2005-12-09

save_


    ####################
    #  Natural source  #
    ####################

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species
      _Strain
      _Fraction

      $alpha-lactalbumin cow 9909 Eukaryota Metazoa Bos primigenius generic milk 

   stop_

save_


    #########################
    #  Experimental source  #
    #########################

save_experimental_source
   _Saveframe_category   experimental_source


   loop_
      _Mol_label
      _Production_method
      _Host_organism_name_common
      _Genus
      _Species
      _Strain
      _Vector_name

      $alpha-lactalbumin 'not available' . . . . . 

   stop_

save_


#####################################
#  Sample contents and methodology  #
#####################################
	 
    ########################
    #  Sample description  #
    ########################

save_sample_one
   _Saveframe_category   sample

   _Sample_type          solution
   _Details              .

save_


#########################
#  Experimental detail  #
#########################

    ##################################
    #  NMR Spectrometer definitions  #
    ##################################

save_spectrometer_list
   _Saveframe_category   NMR_spectrometer

   _Manufacturer         unknown
   _Model                unknown
   _Field_strength       0
   _Details             'spectrometer information not available'

save_


    #############################
    #  NMR applied experiments  #
    #############################

save__1
   _Saveframe_category   NMR_applied_experiment

   _Sample_label        $sample_one

save_


#######################
#  Sample conditions  #
#######################

save_sample_condition_set_one
   _Saveframe_category   sample_conditions

   _Details              .

   loop_
      _Variable_type
      _Variable_value
      _Variable_value_error
      _Variable_value_units

      pH            6.6 . na 
      temperature 298   . K  

   stop_

save_


####################
#  NMR parameters  #
####################

    ##############################
    #  Assigned chemical shifts  #
    ##############################

	################################
	#  Chemical shift referencing  #
	################################

save_chem_shift_reference_par_set_one
   _Saveframe_category   chemical_shift_reference

   _Details              .

   loop_
      _Mol_common_name
      _Atom_type
      _Atom_isotope_number
      _Atom_group
      _Chem_shift_units
      _Chem_shift_value
      _Reference_method
      _Reference_type
      _External_reference_sample_geometry
      _External_reference_location
      _External_reference_axis
      _Indirect_shift_ratio_citation_label
      _Correction_value_citation_label

      TSP H . . ppm 0 . . . . . $entry_citation $entry_citation 

   stop_

save_


	###################################
	#  Assigned chemical shift lists  #
	###################################

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
save_chemical_shift_assignment_data_set_one
   _Saveframe_category               assigned_chemical_shifts

   _Details                          .

   loop_
      _Sample_label

      $sample_one 

   stop_

   _Sample_conditions_label         $sample_condition_set_one
   _Chem_shift_reference_set_label  $chem_shift_reference_par_set_one
   _Mol_system_component_name        alpha-lactalbumin
   _Text_data_format                 .
   _Text_data                        .

   loop_
      _Atom_shift_assign_ID
      _Residue_author_seq_code
      _Residue_seq_code
      _Residue_label
      _Atom_name
      _Atom_type
      _Chem_shift_value
      _Chem_shift_value_error
      _Chem_shift_ambiguity_code

      1 . 26 TRP HD1 H  6.56 . 1 
      2 . 26 TRP HE1 H 10.46 . 1 
      3 . 26 TRP HE3 H  7.29 . 1 
      4 . 26 TRP HZ2 H  6.9  . 1 
      5 . 26 TRP HZ3 H  5.68 . 1 
      6 . 26 TRP HH2 H  5.27 . 1 
      7 . 60 TRP HD1 H  7.5  . 1 
      8 . 60 TRP HE1 H 11.52 . 1 
      9 . 60 TRP HZ2 H  6.54 . 1 

   stop_

save_