data_19036

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

save_entry_information
   _Entry.Sf_category                    entry_information
   _Entry.Sf_framecode                   entry_information
   _Entry.ID                             19036
   _Entry.Title                         
;
NMR structure of the complex of an N-terminally acetylated alpha-synuclein peptide with calmodulin
;
   _Entry.Type                           macromolecule
   _Entry.Version_type                   original
   _Entry.Submission_date                2013-02-13
   _Entry.Accession_date                 2013-02-13
   _Entry.Last_release_date              .
   _Entry.Original_release_date          .
   _Entry.Origination                    author
   _Entry.NMR_STAR_version               3.1.1.61
   _Entry.Original_NMR_STAR_version      3.1
   _Entry.Experimental_method            NMR
   _Entry.Experimental_method_subtype    SOLUTION
   _Entry.Details                        .
   _Entry.BMRB_internal_directory_name   .

   loop_
      _Entry_author.Ordinal
      _Entry_author.Given_name
      _Entry_author.Family_name
      _Entry_author.First_initial
      _Entry_author.Middle_initials
      _Entry_author.Family_title
      _Entry_author.Entry_ID

      1  James       Gruschus  . M. . 19036 
      2 'Thai Leong' Yap       . .  . 19036 
      3  Sara        Pistolesi . .  . 19036 
      4  Alexander   Maltsev   . S. . 19036 
      5  Jennifer    Lee       . C. . 19036 

   stop_

   loop_
      _SG_project.SG_project_ID
      _SG_project.Project_name
      _SG_project.Full_name_of_center
      _SG_project.Initial_of_center
      _SG_project.Entry_ID

      1 'not applicable' 'not applicable' . 19036 

   stop_

   loop_
      _Struct_keywords.Keywords
      _Struct_keywords.Text
      _Struct_keywords.Entry_ID

      Ca-binding      . 19036 
      Protein/peptide . 19036 

   stop_

   loop_
      _Data_set.Type
      _Data_set.Count
      _Data_set.Entry_ID

      assigned_chemical_shifts 1 19036 

   stop_

   loop_
      _Datum.Type
      _Datum.Count
      _Datum.Entry_ID

      '13C chemical shifts' 308 19036 
      '15N chemical shifts' 157 19036 
      '1H chemical shifts'  341 19036 

   stop_

   loop_
      _Release.Release_number
      _Release.Format_type
      _Release.Format_version
      _Release.Date
      _Release.Submission_date
      _Release.Type
      _Release.Author
      _Release.Detail
      _Release.Entry_ID

      2 . . 2013-12-09 2013-02-13 update   BMRB   'update entry citation' 19036 
      1 . . 2013-05-06 2013-02-13 original author 'original release'      19036 

   stop_

   loop_
      _Related_entries.Database_name
      _Related_entries.Database_accession_code
      _Related_entries.Relationship
      _Related_entries.Entry_ID

      PDB 2M55 'BMRB Entry Tracking System' 19036 

   stop_

save_


###############
#  Citations  #
###############

save_entry_citation
   _Citation.Sf_category                  citations
   _Citation.Sf_framecode                 entry_citation
   _Citation.Entry_ID                     19036
   _Citation.ID                           1
   _Citation.Class                       'entry citation'
   _Citation.CAS_abstract_code            .
   _Citation.MEDLINE_UI_code              .
   _Citation.DOI                          .
   _Citation.PubMed_ID                    23607618
   _Citation.Full_citation                .
   _Citation.Title                       'NMR Structure of Calmodulin Complexed to an N-Terminally Acetylated -Synuclein Peptide.'
   _Citation.Status                       published
   _Citation.Type                         journal
   _Citation.Journal_abbrev               Biochemistry
   _Citation.Journal_name_full            Biochemistry
   _Citation.Journal_volume               52
   _Citation.Journal_issue                20
   _Citation.Journal_ASTM                 .
   _Citation.Journal_ISSN                 .
   _Citation.Journal_CSD                  .
   _Citation.Book_title                   .
   _Citation.Book_chapter_title           .
   _Citation.Book_volume                  .
   _Citation.Book_series                  .
   _Citation.Book_publisher               .
   _Citation.Book_publisher_city          .
   _Citation.Book_ISBN                    .
   _Citation.Conference_title             .
   _Citation.Conference_site              .
   _Citation.Conference_state_province    .
   _Citation.Conference_country           .
   _Citation.Conference_start_date        .
   _Citation.Conference_end_date          .
   _Citation.Conference_abstract_number   .
   _Citation.Thesis_institution           .
   _Citation.Thesis_institution_city      .
   _Citation.Thesis_institution_country   .
   _Citation.WWW_URL                      .
   _Citation.Page_first                   3436
   _Citation.Page_last                    3445
   _Citation.Year                         2013
   _Citation.Details                      .

   loop_
      _Citation_author.Ordinal
      _Citation_author.Given_name
      _Citation_author.Family_name
      _Citation_author.First_initial
      _Citation_author.Middle_initials
      _Citation_author.Family_title
      _Citation_author.Entry_ID
      _Citation_author.Citation_ID

      1  James       Gruschus  . M. . 19036 1 
      2 'Thai Leong' Yap       . .  . 19036 1 
      3  Sara        Pistolesi . .  . 19036 1 
      4  Alexander   Maltsev   . S. . 19036 1 
      5  Jennifer    Lee       . C. . 19036 1 

   stop_

save_


#############################################
#  Molecular system (assembly) description  #
#############################################

save_assembly
   _Assembly.Sf_category                       assembly
   _Assembly.Sf_framecode                      assembly
   _Assembly.Entry_ID                          19036
   _Assembly.ID                                1
   _Assembly.Name                             'Calmodulin/a-syn peptide complex'
   _Assembly.BMRB_code                         .
   _Assembly.Number_of_components              7
   _Assembly.Organic_ligands                   .
   _Assembly.Metal_ions                        .
   _Assembly.Non_standard_bonds                yes
   _Assembly.Ambiguous_conformational_states   .
   _Assembly.Ambiguous_chem_comp_sites         .
   _Assembly.Molecules_in_chemical_exchange    .
   _Assembly.Paramagnetic                      no
   _Assembly.Thiol_state                       .
   _Assembly.Molecular_mass                    .
   _Assembly.Enzyme_commission_number          .
   _Assembly.Details                           .
   _Assembly.DB_query_date                     .
   _Assembly.DB_query_revised_last_date        .

   loop_
      _Entity_assembly.ID
      _Entity_assembly.Entity_assembly_name
      _Entity_assembly.Entity_ID
      _Entity_assembly.Entity_label
      _Entity_assembly.Asym_ID
      _Entity_assembly.PDB_chain_ID
      _Entity_assembly.Experimental_data_reported
      _Entity_assembly.Physical_state
      _Entity_assembly.Conformational_isomer
      _Entity_assembly.Chemical_exchange_state
      _Entity_assembly.Magnetic_equivalence_group_code
      _Entity_assembly.Role
      _Entity_assembly.Details
      _Entity_assembly.Entry_ID
      _Entity_assembly.Assembly_ID

      1  calmodulin     1 $calmodulin A . yes native no no . . . 19036 1 
      2  peptide        2 $peptide    B . yes native no no . . . 19036 1 
      3 'ACETYL GROUP'  3 $entity_ACE C . yes native no no . . . 19036 1 
      4 'CALCIUM ION_1' 4 $entity_CA  D . no  native no no . . . 19036 1 
      5 'CALCIUM ION_2' 4 $entity_CA  E . no  native no no . . . 19036 1 
      6 'CALCIUM ION_3' 4 $entity_CA  F . no  native no no . . . 19036 1 
      7 'CALCIUM ION_4' 4 $entity_CA  G . no  native no no . . . 19036 1 

   stop_

   loop_
      _Assembly_db_link.Author_supplied
      _Assembly_db_link.Database_code
      _Assembly_db_link.Accession_code
      _Assembly_db_link.Entry_mol_code
      _Assembly_db_link.Entry_mol_name
      _Assembly_db_link.Entry_experimental_method
      _Assembly_db_link.Entry_structure_resolution
      _Assembly_db_link.Entry_relation_type
      _Assembly_db_link.Entry_details
      _Assembly_db_link.Entry_ID
      _Assembly_db_link.Assembly_ID

      yes PDB 2m55 . . 'solution NMR' . . . 19036 1 

   stop_

save_


    ####################################
    #  Biological polymers and ligands #
    ####################################

save_calmodulin
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      calmodulin
   _Entity.Entry_ID                          19036
   _Entity.ID                                1
   _Entity.BMRB_code                         .
   _Entity.Name                              calmodulin
   _Entity.Type                              polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      polypeptide(L)
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 A
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code      
;
ADQLTEEQIAEFKEAFSLFD
KDGDGTITTKELGTVMRSLG
QNPTEAELQDMINEVDADGN
GTIDFPEFLTMMARKMKDTD
SEEEIREAFRVFDKDGNGYI
SAAELRHVMTNLGEKLTDEE
VDEMIREADIDGDGQVNYEE
FVQMMTAK
;
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   no
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_monomer                      no
   _Entity.Nstd_chirality                    no
   _Entity.Nstd_linkage                      no
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                148
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      'not present'
   _Entity.Src_method                        man
   _Entity.Parent_entity_ID                  .
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    16721.465
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        2015-11-25

   loop_
      _Entity_db_link.Ordinal
      _Entity_db_link.Author_supplied
      _Entity_db_link.Database_code
      _Entity_db_link.Accession_code
      _Entity_db_link.Entry_mol_code
      _Entity_db_link.Entry_mol_name
      _Entity_db_link.Entry_experimental_method
      _Entity_db_link.Entry_structure_resolution
      _Entity_db_link.Entry_relation_type
      _Entity_db_link.Entry_details
      _Entity_db_link.Chimera_segment_ID
      _Entity_db_link.Seq_query_to_submitted_percent
      _Entity_db_link.Seq_subject_length
      _Entity_db_link.Seq_identity
      _Entity_db_link.Seq_positive
      _Entity_db_link.Seq_homology_expectation_val
      _Entity_db_link.Seq_align_begin
      _Entity_db_link.Seq_align_end
      _Entity_db_link.Seq_difference_details
      _Entity_db_link.Seq_alignment_details
      _Entity_db_link.Entry_ID
      _Entity_db_link.Entity_ID

        1 no BMRB        15184 .  calmodulin                                                                                                                       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
        2 no BMRB        15185 .  calmodulin                                                                                                                       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
        3 no BMRB        15186 .  calmodulin                                                                                                                       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
        4 no BMRB        15187 .  calmodulin                                                                                                                       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
        5 no BMRB        15188 .  calmodulin                                                                                                                       . . . . . 100.00 148  99.32 100.00 9.77e-100 . . . . 19036 1 
        6 no BMRB        15191 .  Calmodulin                                                                                                                       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
        7 no BMRB        15470 .  calmodulin                                                                                                                       . . . . . 100.00 148  99.32 100.00 2.01e-99  . . . . 19036 1 
        8 no BMRB        15624 .  Calmodulin                                                                                                                       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
        9 no BMRB        15650 .  calmodulin                                                                                                                       . . . . . 100.00 148  99.32 100.00 3.32e-99  . . . . 19036 1 
       10 no BMRB        15852 .  calmodulin                                                                                                                       . . . . . 100.00 148  99.32 100.00 3.32e-99  . . . . 19036 1 
       11 no BMRB         1634 .  calmodulin                                                                                                                       . . . . . 100.00 148  97.30  99.32 2.54e-97  . . . . 19036 1 
       12 no BMRB        16418 .  apoCaM                                                                                                                           . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       13 no BMRB        16465 .  entity_1                                                                                                                         . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       14 no BMRB         1648 .  calmodulin                                                                                                                       . . . . . 100.00 148  97.30  99.32 2.54e-97  . . . . 19036 1 
       15 no BMRB        16764 .  CALMODULIN                                                                                                                       . . . . . 100.00 150 100.00 100.00 5.25e-100 . . . . 19036 1 
       16 no BMRB        17264 .  calmodulin                                                                                                                       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       17 no BMRB        17360 .  entity_1                                                                                                                         . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       18 no BMRB        17771 .  Calmodulin                                                                                                                       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       19 no BMRB        17807 .  Calmodulin                                                                                                                       . . . . .  99.32 147 100.00 100.00 2.55e-99  . . . . 19036 1 
       20 no BMRB        18027 .  CaM                                                                                                                              . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       21 no BMRB        18028 .  CaM                                                                                                                              . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       22 no BMRB        18556 .  Calmodulin                                                                                                                       . . . . . 100.00 148  98.65  99.32 2.65e-98  . . . . 19036 1 
       23 no BMRB        19238 .  Calmodulin_prototypical_calcium_sensor                                                                                           . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       24 no BMRB        19586 .  entity_1                                                                                                                         . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       25 no BMRB        19604 .  calmodulin                                                                                                                       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       26 no BMRB        25253 .  CaM                                                                                                                              . . . . . 100.00 148  98.65  99.32 1.22e-97  . . . . 19036 1 
       27 no BMRB        25257 .  CaM                                                                                                                              . . . . . 100.00 148  98.65  99.32 1.22e-97  . . . . 19036 1 
       28 no BMRB        26503 .  Calmodulin                                                                                                                       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       29 no BMRB        26626 .  CaM                                                                                                                              . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       30 no BMRB        26627 .  CaM                                                                                                                              . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       31 no BMRB         4056 .  calmodulin                                                                                                                       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       32 no BMRB         4270 .  calmodulin                                                                                                                       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       33 no BMRB         4284 .  Calmodulin                                                                                                                       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       34 no BMRB         4310 .  calmodulin                                                                                                                       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       35 no PDB  1A29          . "Calmodulin Complexed With Trifluoperazine (1:2 Complex)"                                                                         . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       36 no PDB  1CFC          . "Calcium-Free Calmodulin"                                                                                                         . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       37 no PDB  1CFD          . "Calcium-Free Calmodulin"                                                                                                         . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       38 no PDB  1CFF          . "Nmr Solution Structure Of A Complex Of Calmodulin With A Binding Peptide Of The Ca2+-Pump"                                       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       39 no PDB  1CKK          . "CalmodulinRAT CA2+CALMODULIN DEPENDENT PROTEIN KINASE Fragment"                                                                  . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       40 no PDB  1CLL          . "Calmodulin Structure Refined At 1.7 Angstroms Resolution"                                                                        . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       41 no PDB  1CM1          . "Motions Of Calmodulin-Single-Conformer Refinement"                                                                               . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       42 no PDB  1CM4          . "Motions Of Calmodulin-four-conformer Refinement"                                                                                 . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       43 no PDB  1CTR          . "Drug Binding By Calmodulin: Crystal Structure Of A Calmodulin-Trifluoperazine Complex"                                           . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       44 no PDB  1DMO          . "Calmodulin, Nmr, 30 Structures"                                                                                                  . . . . . 100.00 148  99.32 100.00 2.01e-99  . . . . 19036 1 
       45 no PDB  1G4Y          . "1.60 A Crystal Structure Of The Gating Domain From Small Conductance Potassium Channel Complexed With Calcium-Calmodulin"        . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       46 no PDB  1IQ5          . "CalmodulinNEMATODE CA2+CALMODULIN DEPENDENT KINASE KINASE Fragment"                                                              . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
       47 no PDB  1IWQ          . "Crystal Structure Of Marcks Calmodulin Binding Domain Peptide Complexed With Ca2+CALMODULIN"                                     . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       48 no PDB  1K90          . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp"       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       49 no PDB  1K93          . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin"                        . . . . .  97.30 144 100.00 100.00 4.42e-97  . . . . 19036 1 
       50 no PDB  1L7Z          . "Crystal Structure Of Ca2+/calmodulin Complexed With Myristoylated Cap-23/nap-22 Peptide"                                         . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       51 no PDB  1LIN          . "Calmodulin Complexed With Trifluoperazine (1:4 Complex)"                                                                         . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       52 no PDB  1LVC          . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 2' Deoxy, 3' Anthr" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
       53 no PDB  1MUX          . "Solution Nmr Structure Of CalmodulinW-7 Complex: The Basis Of Diversity In Molecular Recognition, 30 Structures"                 . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       54 no PDB  1MXE          . "Structure Of The Complex Of Calmodulin With The Target Sequence Of Camki"                                                        . . . . . 100.00 148  97.97  99.32 6.77e-98  . . . . 19036 1 
       55 no PDB  1NWD          . "Solution Structure Of Ca2+CALMODULIN BOUND TO THE C- Terminal Domain Of Petunia Glutamate Decarboxylase"                         . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       56 no PDB  1OOJ          . "Structural Genomics Of Caenorhabditis Elegans : Calmodulin"                                                                      . . . . . 100.00 149  97.97  98.65 1.28e-97  . . . . 19036 1 
       57 no PDB  1PRW          . "Crystal Structure Of Bovine Brain Ca++ Calmodulin In A Compact Form"                                                             . . . . . 100.00 149  99.32  99.32 4.27e-99  . . . . 19036 1 
       58 no PDB  1QIV          . "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd), 1:2 Complex"    . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       59 no PDB  1QIW          . "Calmodulin Complexed With N-(3,3,-Diphenylpropyl)-N'-[1-R-( 3,4-Bis-Butoxyphenyl)-Ethyl]-Propylenediamine (Dpd)"                 . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       60 no PDB  1QX5          . "Crystal Structure Of Apocalmodulin"                                                                                              . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       61 no PDB  1S26          . "Structure Of Anthrax Edema Factor-calmodulin-alpha,beta- Methyleneadenosine 5'-triphosphate Complex Reveals An Alternative Mode" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       62 no PDB  1SK6          . "Crystal Structure Of The Adenylyl Cyclase Domain Of Anthrax Edema Factor (Ef) In Complex With Calmodulin, 3',5' Cyclic Amp (Cam" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       63 no PDB  1SY9          . "Structure Of Calmodulin Complexed With A Fragment Of The Olfactory Cng Channel"                                                  . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       64 no PDB  1UP5          . "Chicken Calmodulin"                                                                                                              . . . . . 100.00 148  99.32  99.32 4.13e-99  . . . . 19036 1 
       65 no PDB  1WRZ          . "Calmodulin Complexed With A Peptide From A Human Death-Associated Protein Kinase"                                                . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
       66 no PDB  1X02          . "Solution Structure Of Stereo Array Isotope Labeled (Sail) Calmodulin"                                                            . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       67 no PDB  1XA5          . "Structure Of Calmodulin In Complex With Kar-2, A Bis-Indol Alkaloid"                                                             . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       68 no PDB  1XFU          . "Crystal Structure Of Anthrax Edema Factor (ef) Truncation Mutant, Ef-delta 64 In Complex With Calmodulin"                        . . . . . 100.00 149  99.32 100.00 1.22e-99  . . . . 19036 1 
       69 no PDB  1XFV          . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3' Deoxy-Atp"                                      . . . . . 100.00 149  99.32 100.00 1.22e-99  . . . . 19036 1 
       70 no PDB  1XFW          . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And 3'5' Cyclic Amp (Camp)"                            . . . . . 100.00 149  99.32 100.00 1.22e-99  . . . . 19036 1 
       71 no PDB  1XFY          . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin"                                                       . . . . . 100.00 149  99.32 100.00 1.22e-99  . . . . 19036 1 
       72 no PDB  1XFZ          . "Crystal Structure Of Anthrax Edema Factor (ef) In Complex With Calmodulin In The Presence Of 1 Millimolar Exogenously Added Cal" . . . . . 100.00 149  99.32 100.00 1.22e-99  . . . . 19036 1 
       73 no PDB  1Y0V          . "Crystal Structure Of Anthrax Edema Factor (Ef) In Complex With Calmodulin And Pyrophosphate"                                     . . . . .  97.30 146 100.00 100.00 3.80e-97  . . . . 19036 1 
       74 no PDB  1YR5          . "1.7-A Structure Of Calmodulin Bound To A Peptide From Dap Kinase"                                                                . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       75 no PDB  2BBM          . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr"                                               . . . . . 100.00 148  97.97  99.32 6.77e-98  . . . . 19036 1 
       76 no PDB  2BBN          . "Solution Structure Of A Calmodulin-Target Peptide Complex By Multidimensional Nmr"                                               . . . . . 100.00 148  97.97  99.32 6.77e-98  . . . . 19036 1 
       77 no PDB  2BCX          . "Crystal Structure Of Calmodulin In Complex With A Ryanodine Receptor Peptide"                                                    . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       78 no PDB  2BKH          . "Myosin Vi Nucleotide-Free (Mdinsert2) Crystal Structure"                                                                         . . . . . 100.00 149  97.97  99.32 5.16e-98  . . . . 19036 1 
       79 no PDB  2BKI          . "Myosin Vi Nucleotide-free (mdinsert2-iq) Crystal Structure"                                                                      . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
       80 no PDB  2DFS          . "3-D Structure Of Myosin-V Inhibited State"                                                                                       . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       81 no PDB  2F2O          . "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode"                                 . . . . . 100.00 179 100.00 100.00 7.91e-100 . . . . 19036 1 
       82 no PDB  2F2P          . "Structure Of Calmodulin Bound To A Calcineurin Peptide: A New Way Of Making An Old Binding Mode"                                 . . . . . 100.00 179 100.00 100.00 7.91e-100 . . . . 19036 1 
       83 no PDB  2F3Y          . "CalmodulinIQ DOMAIN COMPLEX"                                                                                                     . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       84 no PDB  2F3Z          . "CalmodulinIQ-Aa Domain Complex"                                                                                                  . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       85 no PDB  2FOT          . "Crystal Structure Of The Complex Between Calmodulin And Alphaii-Spectrin"                                                        . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       86 no PDB  2HQW          . "Crystal Structure Of Ca2+CALMODULIN BOUND TO NMDA RECEPTOR NR1C1 Peptide"                                                        . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       87 no PDB  2JZI          . "Structure Of Calmodulin Complexed With The Calmodulin Binding Domain Of Calcineurin"                                             . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       88 no PDB  2K0E          . "A Coupled Equilibrium Shift Mechanism In Calmodulin- Mediated Signal Transduction"                                               . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       89 no PDB  2K0F          . "Calmodulin Complexed With Calmodulin-Binding Peptide From Smooth Muscle Myosin Light Chain Kinase"                               . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       90 no PDB  2K0J          . "Solution Structure Of Cam Complexed To Drp1p"                                                                                    . . . . . 100.00 148  99.32 100.00 3.32e-99  . . . . 19036 1 
       91 no PDB  2K61          . "Solution Structure Of Cam Complexed To Dapk Peptide"                                                                             . . . . . 100.00 148  99.32 100.00 3.32e-99  . . . . 19036 1 
       92 no PDB  2KDU          . "Structural Basis Of The Munc13-1CA2+-Calmodulin Interaction: A Novel 1-26 Calmodulin Binding Motif With A Bipartite Binding Mod" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       93 no PDB  2KNE          . "Calmodulin Wraps Around Its Binding Domain In The Plasma Membrane Ca2+ Pump Anchored By A Novel 18-1 Motif"                      . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       94 no PDB  2L53          . "Solution Nmr Structure Of Apo-Calmodulin In Complex With The Iq Motif Of Human Cardiac Sodium Channel Nav1.5"                    . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       95 no PDB  2L7L          . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of Calmodulin Kinase I" . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       96 no PDB  2LGF          . "Solution Structure Of Ca2+CALMODULIN COMPLEXED WITH A PEPTIDE Representing The Calmodulin-Binding Domain Of L-Selectin"          . . . . .  98.65 146 100.00 100.00 1.07e-98  . . . . 19036 1 
       97 no PDB  2LL6          . "Solution Nmr Structure Of Cam Bound To Inos Cam Binding Domain Peptide"                                                          . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       98 no PDB  2LL7          . "Solution Nmr Structure Of Cam Bound To The Enos Cam Binding Domain Peptide"                                                      . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
       99 no PDB  2LV6          . "The Complex Between Ca-calmodulin And Skeletal Muscle Myosin Light Chain Kinase From Combination Of Nmr And Aqueous And Contras" . . . . . 100.00 148  98.65  99.32 2.65e-98  . . . . 19036 1 
      100 no PDB  2M0J          . "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Olfactory Cyclic Nucleotide-gated Ion Channel Complex"               . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      101 no PDB  2M0K          . "3d Structure Of Calmodulin And Calmodulin Binding Domain Of Rat Olfactory Cyclic Nucleotide-gated Ion Channel"                   . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      102 no PDB  2M55          . "Nmr Structure Of The Complex Of An N-terminally Acetylated Alpha- Synuclein Peptide With Calmodulin"                             . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      103 no PDB  2MG5          . "Solution Structure Of Calmodulin Bound To The Target Peptide Of Endothelial Nitrogen Oxide Synthase Phosphorylated At Thr495"    . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      104 no PDB  2MGU          . "Structure Of The Complex Between Calmodulin And The Binding Domain Of Hiv-1 Matrix Protein"                                      . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      105 no PDB  2O5G          . "Calmodulin-Smooth Muscle Light Chain Kinase Peptide Complex"                                                                     . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      106 no PDB  2O60          . "Calmodulin Bound To Peptide From Neuronal Nitric Oxide Synthase"                                                                 . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      107 no PDB  2R28          . "The Complex Structure Of Calmodulin Bound To A Calcineurin Peptide"                                                              . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      108 no PDB  2V01          . "Recombinant Vertebrate Calmodulin Complexed With Pb"                                                                             . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      109 no PDB  2V02          . "Recombinant Vertebrate Calmodulin Complexed With Ba"                                                                             . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      110 no PDB  2VAS          . "Myosin Vi (Md-Insert2-Cam, Delta-Insert1) Post-Rigor State"                                                                      . . . . . 100.00 149  97.97  99.32 5.16e-98  . . . . 19036 1 
      111 no PDB  2VAY          . "Calmodulin Complexed With Cav1.1 Iq Peptide"                                                                                     . . . . .  98.65 146 100.00 100.00 1.07e-98  . . . . 19036 1 
      112 no PDB  2VB6          . "Myosin Vi (Md-Insert2-Cam, Delta Insert1) Post-Rigor State ( Crystal Form 2)"                                                    . . . . . 100.00 149  97.30  99.32 1.25e-97  . . . . 19036 1 
      113 no PDB  2W73          . "High-Resolution Structure Of The Complex Between Calmodulin And A Peptide From Calcineurin A"                                    . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      114 no PDB  2WEL          . "Crystal Structure Of Su6656-Bound CalciumCALMODULIN- Dependent Protein Kinase Ii Delta In Complex With Calmodulin"               . . . . . 100.00 150 100.00 100.00 4.76e-100 . . . . 19036 1 
      115 no PDB  2X0G          . "X-ray Structure Of A Dap-kinase Calmodulin Complex"                                                                              . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      116 no PDB  2X51          . "M6 Delta Insert1"                                                                                                                . . . . . 100.00 149  97.97  99.32 5.16e-98  . . . . 19036 1 
      117 no PDB  2Y4V          . "Crystal Structure Of Human Calmodulin In Complex With A Dap Kinase-1 Mutant (W305y) Peptide"                                     . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      118 no PDB  2YGG          . "Complex Of Cambr And Cam"                                                                                                        . . . . . 100.00 150 100.00 100.00 5.60e-100 . . . . 19036 1 
      119 no PDB  3BXK          . "Crystal Structure Of The PQ-Type Calcium Channel (Cav2.1) Iq Domain And Ca2+calmodulin Complex"                                  . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      120 no PDB  3BXL          . "Crystal Structure Of The R-Type Calcium Channel (Cav2.3) Iq Domain And Ca2+calmodulin Complex"                                   . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      121 no PDB  3BYA          . "Structure Of A Calmodulin Complex"                                                                                               . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      122 no PDB  3CLN          . "Structure Of Calmodulin Refined At 2.2 Angstroms Resolution"                                                                     . . . . . 100.00 148  99.32 100.00 2.01e-99  . . . . 19036 1 
      123 no PDB  3DVE          . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain Complex"                                                                           . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      124 no PDB  3DVJ          . "Crystal Structure Of Ca2+CAM-Cav2.2 Iq Domain (Without Cloning Artifact, Hm To Tv) Complex"                                      . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      125 no PDB  3DVK          . "Crystal Structure Of Ca2+CAM-Cav2.3 Iq Domain Complex"                                                                           . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      126 no PDB  3DVM          . "Crystal Structure Of Ca2+CAM-Cav2.1 Iq Domain Complex"                                                                           . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      127 no PDB  3EK4          . "Calcium-saturated Gcamp2 Monomer"                                                                                                . . . . .  99.32 449 100.00 100.00 9.40e-96  . . . . 19036 1 
      128 no PDB  3EK7          . "Calcium-Saturated Gcamp2 Dimer"                                                                                                  . . . . .  99.32 449 100.00 100.00 9.40e-96  . . . . 19036 1 
      129 no PDB  3EK8          . "Calcium-Saturated Gcamp2 T116vG87R MUTANT MONOMER"                                                                               . . . . .  99.32 449 100.00 100.00 1.33e-95  . . . . 19036 1 
      130 no PDB  3EKH          . "Calcium-Saturated Gcamp2 T116vK378W MUTANT MONOMER"                                                                              . . . . .  99.32 449  99.32  99.32 9.09e-95  . . . . 19036 1 
      131 no PDB  3EVU          . "Crystal Structure Of Calcium Bound Dimeric Gcamp2, (#1)"                                                                         . . . . .  99.32 449 100.00 100.00 9.40e-96  . . . . 19036 1 
      132 no PDB  3EVV          . "Crystal Structure Of Calcium Bound Dimeric Gcamp2 (#2)"                                                                          . . . . .  99.32 449 100.00 100.00 9.40e-96  . . . . 19036 1 
      133 no PDB  3EWT          . "Crystal Structure Of Calmodulin Complexed With A Peptide"                                                                        . . . . . 100.00 154 100.00 100.00 2.06e-100 . . . . 19036 1 
      134 no PDB  3EWV          . "Crystal Structure Of Calmodulin Complexed With A Peptide"                                                                        . . . . . 100.00 154 100.00 100.00 2.06e-100 . . . . 19036 1 
      135 no PDB  3G43          . "Crystal Structure Of The Calmodulin-Bound Cav1.2 C-Terminal Regulatory Domain Dimer"                                             . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      136 no PDB  3GN4          . "Myosin Lever Arm"                                                                                                                . . . . . 100.00 149  97.97  99.32 5.16e-98  . . . . 19036 1 
      137 no PDB  3GOF          . "Calmodulin Bound To Peptide From Macrophage Nitric Oxide Synthase"                                                               . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      138 no PDB  3HR4          . "Human Inos Reductase And Calmodulin Complex"                                                                                     . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      139 no PDB  3IF7          . "Structure Of Calmodulin Complexed With Its First Endogenous Inhibitor, Sphingosylphosphorylcholine"                              . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      140 no PDB  3J41          . "Pseudo-atomic Model Of The Aquaporin-0/calmodulin Complex Derived From Electron Microscopy"                                      . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      141 no PDB  3L9I          . "Myosin Vi Nucleotide-Free (Mdinsert2) L310g Mutant Crystal Structure"                                                            . . . . . 100.00 149  97.97  99.32 5.16e-98  . . . . 19036 1 
      142 no PDB  3O77          . "The Structure Of Ca2+ Sensor (Case-16)"                                                                                          . . . . .  99.32 415 100.00 100.00 4.22e-96  . . . . 19036 1 
      143 no PDB  3O78          . "The Structure Of Ca2+ Sensor (Case-12)"                                                                                          . . . . .  99.32 415 100.00 100.00 4.65e-96  . . . . 19036 1 
      144 no PDB  3OXQ          . "Crystal Structure Of Ca2+CAM-Cav1.2 Pre-IqIQ DOMAIN COMPLEX"                                                                     . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      145 no PDB  3SG2          . "Crystal Structure Of Gcamp2-t116v,d381y"                                                                                         . . . . .  99.32 449  99.32  99.32 1.34e-94  . . . . 19036 1 
      146 no PDB  3SG3          . "Crystal Structure Of Gcamp3-d380y"                                                                                               . . . . .  99.32 449  98.64  99.32 1.70e-93  . . . . 19036 1 
      147 no PDB  3SG4          . "Crystal Structure Of Gcamp3-d380y, Lp(linker 2)"                                                                                 . . . . . 100.00 448  97.97  98.65 1.17e-93  . . . . 19036 1 
      148 no PDB  3SG5          . "Crystal Structure Of Dimeric Gcamp3-d380y, Qp(linker 1), Lp(linker 2)"                                                           . . . . . 100.00 448  97.97  98.65 9.63e-94  . . . . 19036 1 
      149 no PDB  3SG6          . "Crystal Structure Of Dimeric Gcamp2-lia(linker 1)"                                                                               . . . . .  99.32 450 100.00 100.00 1.20e-95  . . . . 19036 1 
      150 no PDB  3SG7          . "Crystal Structure Of Gcamp3-kf(linker 1)"                                                                                        . . . . .  99.32 448  99.32 100.00 8.02e-95  . . . . 19036 1 
      151 no PDB  3SJQ          . "Crystal Structure Of A Small Conductance Potassium Channel Splice Variant Complexed With Calcium-Calmodulin"                     . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      152 no PDB  3SUI          . "Crystal Structure Of Ca2+-Calmodulin In Complex With A Trpv1 C- Terminal Peptide"                                                . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      153 no PDB  3U0K          . "Crystal Structure Of The Genetically Encoded Calcium Indicator Rcamp"                                                            . . . . .  99.32 440  98.64  99.32 2.87e-94  . . . . 19036 1 
      154 no PDB  3WFN          . "Crystal Structure Of Nav1.6 Iq Motif In Complex With Apo-cam"                                                                    . . . . . 100.00 182 100.00 100.00 5.91e-100 . . . . 19036 1 
      155 no PDB  4ANJ          . "Myosin Vi (Mdinsert2-Gfp Fusion) Pre-Powerstroke State (Mg.Adp.Alf4)"                                                            . . . . . 100.00 149  97.97  99.32 5.16e-98  . . . . 19036 1 
      156 no PDB  4BW7          . "Calmodulin In Complex With Strontium"                                                                                            . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      157 no PDB  4BW8          . "Calmodulin With Small Bend In Central Helix"                                                                                     . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      158 no PDB  4BYF          . "Crystal Structure Of Human Myosin 1c In Complex With Calmodulin In The Pre-power Stroke State"                                   . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      159 no PDB  4CLN          . "Structure Of A Recombinant Calmodulin From Drosophila Melanogaster Refined At 2.2-Angstroms Resolution"                          . . . . . 100.00 148  97.97  99.32 6.77e-98  . . . . 19036 1 
      160 no PDB  4DBP          . "Myosin Vi Nucleotide-free (mdinsert2) D179y Crystal Structure"                                                                   . . . . . 100.00 149  97.97  99.32 5.16e-98  . . . . 19036 1 
      161 no PDB  4DBQ          . "Myosin Vi D179y (md-insert2-cam, Delta-insert1) Post-rigor State"                                                                . . . . . 100.00 149  97.97  99.32 5.16e-98  . . . . 19036 1 
      162 no PDB  4DCK          . "Crystal Structure Of The C-Terminus Of Voltage-Gated Sodium Channel In Complex With Fgf13 And Cam"                               . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      163 no PDB  4DJC          . "1.35 A Crystal Structure Of The Nav1.5 Diii-Iv-CaCAM COMPLEX"                                                                    . . . . . 100.00 152 100.00 100.00 3.59e-100 . . . . 19036 1 
      164 no PDB  4E50          . "Calmodulin And Ng Peptide Complex"                                                                                               . . . . . 100.00 185 100.00 100.00 2.67e-100 . . . . 19036 1 
      165 no PDB  4EHQ          . "Crystal Structure Of Calmodulin Binding Domain Of Orai1 In Complex With Ca2+CALMODULIN DISPLAYS A UNIQUE BINDING MODE"           . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      166 no PDB  4G27          . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And P" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      167 no PDB  4G28          . "Calcium-Calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And E" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      168 no PDB  4HEX          . "A Novel Conformation Of Calmodulin"                                                                                              . . . . . 100.00 156 100.00 100.00 2.20e-100 . . . . 19036 1 
      169 no PDB  4IK1          . "High Resolution Structure Of Gcampj At Ph 8.5"                                                                                   . . . . .  99.32 448  98.64  99.32 1.47e-93  . . . . 19036 1 
      170 no PDB  4IK3          . "High Resolution Structure Of Gcamp3 At Ph 8.5"                                                                                   . . . . .  99.32 448  99.32 100.00 9.53e-95  . . . . 19036 1 
      171 no PDB  4IK4          . "High Resolution Structure Of Gcamp3 At Ph 5.0"                                                                                   . . . . .  99.32 448  99.32 100.00 9.53e-95  . . . . 19036 1 
      172 no PDB  4IK5          . "High Resolution Structure Of Delta-rest-gcamp3"                                                                                  . . . . .  99.32 414  99.32 100.00 3.73e-95  . . . . 19036 1 
      173 no PDB  4IK8          . "High Resolution Structure Of Gcamp3 Dimer Form 1 At Ph 7.5"                                                                      . . . . .  99.32 448  99.32 100.00 9.53e-95  . . . . 19036 1 
      174 no PDB  4IK9          . "High Resolution Structure Of Gcamp3 Dimer Form 2 At Ph 7.5"                                                                      . . . . .  99.32 448  99.32 100.00 9.53e-95  . . . . 19036 1 
      175 no PDB  4J9Y          . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant"       . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      176 no PDB  4J9Z          . "Calcium-calmodulin Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Splice Variant And N" . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      177 no PDB  4JPZ          . "Voltage-gated Sodium Channel 1.2 C-terminal Domain In Complex With Fgf13u And Ca2+/calmodulin"                                   . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      178 no PDB  4JQ0          . "Voltage-gated Sodium Channel 1.5 C-terminal Domain In Complex With Fgf12b And Ca2+/calmodulin"                                   . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      179 no PDB  4L79          . "Crystal Structure Of Nucleotide-free Myosin 1b Residues 1-728 With Bound Calmodulin"                                             . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      180 no PDB  4LZX          . "Complex Of Iqcg And Ca2+-free Cam"                                                                                               . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      181 no PDB  4M1L          . "Complex Of Iqcg And Ca2+-bound Cam"                                                                                              . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      182 no PDB  4PJJ          . "Myosin Vi (md-insert2-cam, Delta-insert1) Post-rigor State - Long Soaking With Po4"                                              . . . . . 100.00 149  97.30  99.32 1.25e-97  . . . . 19036 1 
      183 no PDB  4Q5U          . "Structure Of Calmodulin Bound To Its Recognition Site From Calcineurin"                                                          . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      184 no PDB  4QNH          . "Calcium-calmodulin (t79d) Complexed With The Calmodulin Binding Domain From A Small Conductance Potassium Channel Sk2-a"         . . . . . 100.00 149  99.32  99.32 6.26e-99  . . . . 19036 1 
      185 no PDB  4R8G          . "Crystal Structure Of Myosin-1c Tail In Complex With Calmodulin"                                                                  . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      186 no PDB  4UMO          . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin"                                            . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      187 no PDB  4UPU          . "Crystal Structure Of Ip3 3-k Calmodulin Binding Region In Complex With Calmodulin"                                               . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      188 no PDB  4V0C          . "Crystal Structure Of The Kv7.1 Proximal C-terminal Domain In Complex With Calmodulin"                                            . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      189 no DBJ  BAA08302      . "calmodulin [Homo sapiens]"                                                                                                       . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      190 no DBJ  BAA11896      . "calmodulin [Anas platyrhynchos]"                                                                                                 . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      191 no DBJ  BAA19786      . "calmodulin [Branchiostoma lanceolatum]"                                                                                          . . . . . 100.00 149  97.97  99.32 5.16e-98  . . . . 19036 1 
      192 no DBJ  BAA19787      . "calmodulin [Branchiostoma floridae]"                                                                                             . . . . . 100.00 149  97.97  99.32 5.16e-98  . . . . 19036 1 
      193 no DBJ  BAA19788      . "calmodulin [Halocynthia roretzi]"                                                                                                . . . . . 100.00 149  97.97  99.32 5.16e-98  . . . . 19036 1 
      194 no EMBL CAA10601      . "calmodulin [Caenorhabditis elegans]"                                                                                             . . . . . 100.00 149  97.97  98.65 1.28e-97  . . . . 19036 1 
      195 no EMBL CAA32050      . "calmodulin [Rattus norvegicus]"                                                                                                  . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      196 no EMBL CAA32062      . "calmodulin II [Rattus norvegicus]"                                                                                               . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      197 no EMBL CAA32119      . "calmodulin [Rattus norvegicus]"                                                                                                  . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      198 no EMBL CAA32120      . "calmodulin [Rattus norvegicus]"                                                                                                  . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      199 no GB   AAA35635      . "calmodulin [Homo sapiens]"                                                                                                       . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      200 no GB   AAA35641      . "calmodulin [Homo sapiens]"                                                                                                       . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      201 no GB   AAA37365      . "calmodulin synthesis [Mus musculus]"                                                                                             . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      202 no GB   AAA40862      . "calmodulin [Rattus norvegicus]"                                                                                                  . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      203 no GB   AAA40863      . "calmodulin [Rattus norvegicus]"                                                                                                  . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      204 no PIR  JC1305        . "calmodulin - Japanese medaka"                                                                                                    . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      205 no PIR  MCON          . "calmodulin - salmon"                                                                                                             . . . . . 100.00 148 100.00 100.00 4.91e-100 . . . . 19036 1 
      206 no PRF  0409298A      . "troponin C-like protein"                                                                                                         . . . . . 100.00 148  97.30 100.00 2.53e-98  . . . . 19036 1 
      207 no PRF  0608335A      .  calmodulin                                                                                                                       . . . . . 100.00 148  97.97  99.32 3.48e-97  . . . . 19036 1 
      208 no REF  NP_001008160  . "calmodulin [Xenopus (Silurana) tropicalis]"                                                                                      . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      209 no REF  NP_001009759  . "calmodulin [Ovis aries]"                                                                                                         . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      210 no REF  NP_001027633  . "calmodulin [Ciona intestinalis]"                                                                                                 . . . . . 100.00 149  97.30  98.65 3.34e-97  . . . . 19036 1 
      211 no REF  NP_001039714  . "calmodulin [Bos taurus]"                                                                                                         . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      212 no REF  NP_001040234  . "calmodulin [Bombyx mori]"                                                                                                        . . . . . 100.00 149  97.97  99.32 5.16e-98  . . . . 19036 1 
      213 no SP   O02367        . "RecName: Full=Calmodulin; Short=CaM; AltName: Full=Ci-CaM"                                                                       . . . . . 100.00 149  97.30  98.65 3.34e-97  . . . . 19036 1 
      214 no SP   O16305        . "RecName: Full=Calmodulin; Short=CaM"                                                                                             . . . . . 100.00 149  97.97  98.65 1.28e-97  . . . . 19036 1 
      215 no SP   O96081        . "RecName: Full=Calmodulin-B; Short=CaM B"                                                                                         . . . . . 100.00 149  97.30  98.65 3.76e-97  . . . . 19036 1 
      216 no SP   P02594        . "RecName: Full=Calmodulin; Short=CaM"                                                                                             . . . . . 100.00 149  99.32 100.00 1.65e-99  . . . . 19036 1 
      217 no SP   P05932        . "RecName: Full=Calmodulin-beta; Short=Cam B"                                                                                      . . . . .  93.24 138  97.10  99.28 5.25e-90  . . . . 19036 1 
      218 no TPG  DAA13808      . "TPA: calmodulin 2-like [Bos taurus]"                                                                                             . . . . . 100.00 216  98.65  98.65 2.49e-98  . . . . 19036 1 
      219 no TPG  DAA18029      . "TPA: calmodulin [Bos taurus]"                                                                                                    . . . . . 100.00 149  98.65  99.32 7.54e-99  . . . . 19036 1 
      220 no TPG  DAA19590      . "TPA: calmodulin 3 [Bos taurus]"                                                                                                  . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      221 no TPG  DAA24777      . "TPA: calmodulin 2-like [Bos taurus]"                                                                                             . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 
      222 no TPG  DAA24988      . "TPA: calmodulin 2-like isoform 1 [Bos taurus]"                                                                                   . . . . . 100.00 149 100.00 100.00 5.13e-100 . . . . 19036 1 

   stop_

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

        1   1 ALA . 19036 1 
        2   2 ASP . 19036 1 
        3   3 GLN . 19036 1 
        4   4 LEU . 19036 1 
        5   5 THR . 19036 1 
        6   6 GLU . 19036 1 
        7   7 GLU . 19036 1 
        8   8 GLN . 19036 1 
        9   9 ILE . 19036 1 
       10  10 ALA . 19036 1 
       11  11 GLU . 19036 1 
       12  12 PHE . 19036 1 
       13  13 LYS . 19036 1 
       14  14 GLU . 19036 1 
       15  15 ALA . 19036 1 
       16  16 PHE . 19036 1 
       17  17 SER . 19036 1 
       18  18 LEU . 19036 1 
       19  19 PHE . 19036 1 
       20  20 ASP . 19036 1 
       21  21 LYS . 19036 1 
       22  22 ASP . 19036 1 
       23  23 GLY . 19036 1 
       24  24 ASP . 19036 1 
       25  25 GLY . 19036 1 
       26  26 THR . 19036 1 
       27  27 ILE . 19036 1 
       28  28 THR . 19036 1 
       29  29 THR . 19036 1 
       30  30 LYS . 19036 1 
       31  31 GLU . 19036 1 
       32  32 LEU . 19036 1 
       33  33 GLY . 19036 1 
       34  34 THR . 19036 1 
       35  35 VAL . 19036 1 
       36  36 MET . 19036 1 
       37  37 ARG . 19036 1 
       38  38 SER . 19036 1 
       39  39 LEU . 19036 1 
       40  40 GLY . 19036 1 
       41  41 GLN . 19036 1 
       42  42 ASN . 19036 1 
       43  43 PRO . 19036 1 
       44  44 THR . 19036 1 
       45  45 GLU . 19036 1 
       46  46 ALA . 19036 1 
       47  47 GLU . 19036 1 
       48  48 LEU . 19036 1 
       49  49 GLN . 19036 1 
       50  50 ASP . 19036 1 
       51  51 MET . 19036 1 
       52  52 ILE . 19036 1 
       53  53 ASN . 19036 1 
       54  54 GLU . 19036 1 
       55  55 VAL . 19036 1 
       56  56 ASP . 19036 1 
       57  57 ALA . 19036 1 
       58  58 ASP . 19036 1 
       59  59 GLY . 19036 1 
       60  60 ASN . 19036 1 
       61  61 GLY . 19036 1 
       62  62 THR . 19036 1 
       63  63 ILE . 19036 1 
       64  64 ASP . 19036 1 
       65  65 PHE . 19036 1 
       66  66 PRO . 19036 1 
       67  67 GLU . 19036 1 
       68  68 PHE . 19036 1 
       69  69 LEU . 19036 1 
       70  70 THR . 19036 1 
       71  71 MET . 19036 1 
       72  72 MET . 19036 1 
       73  73 ALA . 19036 1 
       74  74 ARG . 19036 1 
       75  75 LYS . 19036 1 
       76  76 MET . 19036 1 
       77  77 LYS . 19036 1 
       78  78 ASP . 19036 1 
       79  79 THR . 19036 1 
       80  80 ASP . 19036 1 
       81  81 SER . 19036 1 
       82  82 GLU . 19036 1 
       83  83 GLU . 19036 1 
       84  84 GLU . 19036 1 
       85  85 ILE . 19036 1 
       86  86 ARG . 19036 1 
       87  87 GLU . 19036 1 
       88  88 ALA . 19036 1 
       89  89 PHE . 19036 1 
       90  90 ARG . 19036 1 
       91  91 VAL . 19036 1 
       92  92 PHE . 19036 1 
       93  93 ASP . 19036 1 
       94  94 LYS . 19036 1 
       95  95 ASP . 19036 1 
       96  96 GLY . 19036 1 
       97  97 ASN . 19036 1 
       98  98 GLY . 19036 1 
       99  99 TYR . 19036 1 
      100 100 ILE . 19036 1 
      101 101 SER . 19036 1 
      102 102 ALA . 19036 1 
      103 103 ALA . 19036 1 
      104 104 GLU . 19036 1 
      105 105 LEU . 19036 1 
      106 106 ARG . 19036 1 
      107 107 HIS . 19036 1 
      108 108 VAL . 19036 1 
      109 109 MET . 19036 1 
      110 110 THR . 19036 1 
      111 111 ASN . 19036 1 
      112 112 LEU . 19036 1 
      113 113 GLY . 19036 1 
      114 114 GLU . 19036 1 
      115 115 LYS . 19036 1 
      116 116 LEU . 19036 1 
      117 117 THR . 19036 1 
      118 118 ASP . 19036 1 
      119 119 GLU . 19036 1 
      120 120 GLU . 19036 1 
      121 121 VAL . 19036 1 
      122 122 ASP . 19036 1 
      123 123 GLU . 19036 1 
      124 124 MET . 19036 1 
      125 125 ILE . 19036 1 
      126 126 ARG . 19036 1 
      127 127 GLU . 19036 1 
      128 128 ALA . 19036 1 
      129 129 ASP . 19036 1 
      130 130 ILE . 19036 1 
      131 131 ASP . 19036 1 
      132 132 GLY . 19036 1 
      133 133 ASP . 19036 1 
      134 134 GLY . 19036 1 
      135 135 GLN . 19036 1 
      136 136 VAL . 19036 1 
      137 137 ASN . 19036 1 
      138 138 TYR . 19036 1 
      139 139 GLU . 19036 1 
      140 140 GLU . 19036 1 
      141 141 PHE . 19036 1 
      142 142 VAL . 19036 1 
      143 143 GLN . 19036 1 
      144 144 MET . 19036 1 
      145 145 MET . 19036 1 
      146 146 THR . 19036 1 
      147 147 ALA . 19036 1 
      148 148 LYS . 19036 1 

   stop_

   loop_
      _Entity_poly_seq.Hetero
      _Entity_poly_seq.Mon_ID
      _Entity_poly_seq.Num
      _Entity_poly_seq.Comp_index_ID
      _Entity_poly_seq.Entry_ID
      _Entity_poly_seq.Entity_ID

      . ALA   1   1 19036 1 
      . ASP   2   2 19036 1 
      . GLN   3   3 19036 1 
      . LEU   4   4 19036 1 
      . THR   5   5 19036 1 
      . GLU   6   6 19036 1 
      . GLU   7   7 19036 1 
      . GLN   8   8 19036 1 
      . ILE   9   9 19036 1 
      . ALA  10  10 19036 1 
      . GLU  11  11 19036 1 
      . PHE  12  12 19036 1 
      . LYS  13  13 19036 1 
      . GLU  14  14 19036 1 
      . ALA  15  15 19036 1 
      . PHE  16  16 19036 1 
      . SER  17  17 19036 1 
      . LEU  18  18 19036 1 
      . PHE  19  19 19036 1 
      . ASP  20  20 19036 1 
      . LYS  21  21 19036 1 
      . ASP  22  22 19036 1 
      . GLY  23  23 19036 1 
      . ASP  24  24 19036 1 
      . GLY  25  25 19036 1 
      . THR  26  26 19036 1 
      . ILE  27  27 19036 1 
      . THR  28  28 19036 1 
      . THR  29  29 19036 1 
      . LYS  30  30 19036 1 
      . GLU  31  31 19036 1 
      . LEU  32  32 19036 1 
      . GLY  33  33 19036 1 
      . THR  34  34 19036 1 
      . VAL  35  35 19036 1 
      . MET  36  36 19036 1 
      . ARG  37  37 19036 1 
      . SER  38  38 19036 1 
      . LEU  39  39 19036 1 
      . GLY  40  40 19036 1 
      . GLN  41  41 19036 1 
      . ASN  42  42 19036 1 
      . PRO  43  43 19036 1 
      . THR  44  44 19036 1 
      . GLU  45  45 19036 1 
      . ALA  46  46 19036 1 
      . GLU  47  47 19036 1 
      . LEU  48  48 19036 1 
      . GLN  49  49 19036 1 
      . ASP  50  50 19036 1 
      . MET  51  51 19036 1 
      . ILE  52  52 19036 1 
      . ASN  53  53 19036 1 
      . GLU  54  54 19036 1 
      . VAL  55  55 19036 1 
      . ASP  56  56 19036 1 
      . ALA  57  57 19036 1 
      . ASP  58  58 19036 1 
      . GLY  59  59 19036 1 
      . ASN  60  60 19036 1 
      . GLY  61  61 19036 1 
      . THR  62  62 19036 1 
      . ILE  63  63 19036 1 
      . ASP  64  64 19036 1 
      . PHE  65  65 19036 1 
      . PRO  66  66 19036 1 
      . GLU  67  67 19036 1 
      . PHE  68  68 19036 1 
      . LEU  69  69 19036 1 
      . THR  70  70 19036 1 
      . MET  71  71 19036 1 
      . MET  72  72 19036 1 
      . ALA  73  73 19036 1 
      . ARG  74  74 19036 1 
      . LYS  75  75 19036 1 
      . MET  76  76 19036 1 
      . LYS  77  77 19036 1 
      . ASP  78  78 19036 1 
      . THR  79  79 19036 1 
      . ASP  80  80 19036 1 
      . SER  81  81 19036 1 
      . GLU  82  82 19036 1 
      . GLU  83  83 19036 1 
      . GLU  84  84 19036 1 
      . ILE  85  85 19036 1 
      . ARG  86  86 19036 1 
      . GLU  87  87 19036 1 
      . ALA  88  88 19036 1 
      . PHE  89  89 19036 1 
      . ARG  90  90 19036 1 
      . VAL  91  91 19036 1 
      . PHE  92  92 19036 1 
      . ASP  93  93 19036 1 
      . LYS  94  94 19036 1 
      . ASP  95  95 19036 1 
      . GLY  96  96 19036 1 
      . ASN  97  97 19036 1 
      . GLY  98  98 19036 1 
      . TYR  99  99 19036 1 
      . ILE 100 100 19036 1 
      . SER 101 101 19036 1 
      . ALA 102 102 19036 1 
      . ALA 103 103 19036 1 
      . GLU 104 104 19036 1 
      . LEU 105 105 19036 1 
      . ARG 106 106 19036 1 
      . HIS 107 107 19036 1 
      . VAL 108 108 19036 1 
      . MET 109 109 19036 1 
      . THR 110 110 19036 1 
      . ASN 111 111 19036 1 
      . LEU 112 112 19036 1 
      . GLY 113 113 19036 1 
      . GLU 114 114 19036 1 
      . LYS 115 115 19036 1 
      . LEU 116 116 19036 1 
      . THR 117 117 19036 1 
      . ASP 118 118 19036 1 
      . GLU 119 119 19036 1 
      . GLU 120 120 19036 1 
      . VAL 121 121 19036 1 
      . ASP 122 122 19036 1 
      . GLU 123 123 19036 1 
      . MET 124 124 19036 1 
      . ILE 125 125 19036 1 
      . ARG 126 126 19036 1 
      . GLU 127 127 19036 1 
      . ALA 128 128 19036 1 
      . ASP 129 129 19036 1 
      . ILE 130 130 19036 1 
      . ASP 131 131 19036 1 
      . GLY 132 132 19036 1 
      . ASP 133 133 19036 1 
      . GLY 134 134 19036 1 
      . GLN 135 135 19036 1 
      . VAL 136 136 19036 1 
      . ASN 137 137 19036 1 
      . TYR 138 138 19036 1 
      . GLU 139 139 19036 1 
      . GLU 140 140 19036 1 
      . PHE 141 141 19036 1 
      . VAL 142 142 19036 1 
      . GLN 143 143 19036 1 
      . MET 144 144 19036 1 
      . MET 145 145 19036 1 
      . THR 146 146 19036 1 
      . ALA 147 147 19036 1 
      . LYS 148 148 19036 1 

   stop_

save_


save_peptide
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      peptide
   _Entity.Entry_ID                          19036
   _Entity.ID                                2
   _Entity.BMRB_code                         .
   _Entity.Name                              peptide
   _Entity.Type                              polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      polypeptide(L)
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 B
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code      
;
MDVFMKGLSKAKEGVVAAAX

;
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   no
   _Entity.Ambiguous_chem_comp_sites         no
   _Entity.Nstd_monomer                      yes
   _Entity.Nstd_chirality                    no
   _Entity.Nstd_linkage                      no
   _Entity.Nonpolymer_comp_ID                .
   _Entity.Nonpolymer_comp_label             .
   _Entity.Number_of_monomers                20
   _Entity.Number_of_nonpolymer_components   .
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      'not present'
   _Entity.Src_method                        man
   _Entity.Parent_entity_ID                  .
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    1953.383
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        2015-01-29

   loop_
      _Entity_db_link.Ordinal
      _Entity_db_link.Author_supplied
      _Entity_db_link.Database_code
      _Entity_db_link.Accession_code
      _Entity_db_link.Entry_mol_code
      _Entity_db_link.Entry_mol_name
      _Entity_db_link.Entry_experimental_method
      _Entity_db_link.Entry_structure_resolution
      _Entity_db_link.Entry_relation_type
      _Entity_db_link.Entry_details
      _Entity_db_link.Chimera_segment_ID
      _Entity_db_link.Seq_query_to_submitted_percent
      _Entity_db_link.Seq_subject_length
      _Entity_db_link.Seq_identity
      _Entity_db_link.Seq_positive
      _Entity_db_link.Seq_homology_expectation_val
      _Entity_db_link.Seq_align_begin
      _Entity_db_link.Seq_align_end
      _Entity_db_link.Seq_difference_details
      _Entity_db_link.Seq_alignment_details
      _Entity_db_link.Entry_ID
      _Entity_db_link.Entity_ID

       1 no BMRB        16300 .  alpha-synuclein                                                                                                                  . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
       2 no BMRB        16302 .  alpha-synuclein                                                                                                                  . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
       3 no BMRB        16342 .  human_a-synuclein                                                                                                                . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
       4 no BMRB        16543 . "monomer alpha-synuclein"                                                                                                         . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
       5 no BMRB        16546 .  A30P_alpha-synuclein                                                                                                             . . . . . 95.00 140 100.00 100.00 1.78e-02 . . . . 19036 2 
       6 no BMRB        16547 .  E46K_alpha-synuclein                                                                                                             . . . . . 95.00 140 100.00 100.00 1.90e-02 . . . . 19036 2 
       7 no BMRB        16548 .  A53T_alpha-synuclein                                                                                                             . . . . . 95.00 140 100.00 100.00 1.78e-02 . . . . 19036 2 
       8 no BMRB        16904 .  alpha-synuclein                                                                                                                  . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
       9 no BMRB        17214 .  A30P_alpha-synuclein                                                                                                             . . . . . 95.00 140 100.00 100.00 1.78e-02 . . . . 19036 2 
      10 no BMRB        17498 .  alpha-synuclein                                                                                                                  . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      11 no BMRB        17665 .  aSyn                                                                                                                             . . . . . 95.00 150 100.00 100.00 2.14e-02 . . . . 19036 2 
      12 no BMRB        18232 .  mouse_alpha-synuclein                                                                                                            . . . . . 95.00 140 100.00 100.00 1.82e-02 . . . . 19036 2 
      13 no BMRB        18857 .  alpha_synuclein                                                                                                                  . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      14 no BMRB        18860 .  a-synuclein                                                                                                                      . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      15 no BMRB        19257 .  Alpha-synuclein                                                                                                                  . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      16 no BMRB        19337 .  aSyn                                                                                                                             . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      17 no BMRB        19338 .  aSyn_A53T                                                                                                                        . . . . . 95.00 140 100.00 100.00 1.78e-02 . . . . 19036 2 
      18 no BMRB        19344 .  aSyn_S87N                                                                                                                        . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      19 no BMRB        19345 .  aSyn_A53T&S87N                                                                                                                   . . . . . 95.00 140 100.00 100.00 1.76e-02 . . . . 19036 2 
      20 no BMRB        19346 .  aSyn_mouse                                                                                                                       . . . . . 95.00 140 100.00 100.00 1.82e-02 . . . . 19036 2 
      21 no BMRB        19347 .  aSyn_mouse_T53A                                                                                                                  . . . . . 95.00 140 100.00 100.00 1.90e-02 . . . . 19036 2 
      22 no BMRB        19348 .  aSyn_mouse_N87S                                                                                                                  . . . . . 90.00 139 100.00 100.00 1.23e-01 . . . . 19036 2 
      23 no BMRB        19349 .  aSyn_mouse_T53A&N87S                                                                                                             . . . . . 90.00 139 100.00 100.00 1.33e-01 . . . . 19036 2 
      24 no BMRB        19350 .  acet_aSyn                                                                                                                        . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      25 no BMRB        19351 .  acet_aSyn_A53T                                                                                                                   . . . . . 95.00 140 100.00 100.00 1.78e-02 . . . . 19036 2 
      26 no BMRB         5744 .  alpha-synuclein                                                                                                                  . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      27 no BMRB         6968 .  naturally_unfolded_alpha-synuclein                                                                                               . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      28 no PDB  1XQ8          . "Human Micelle-Bound Alpha-Synuclein"                                                                                             . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      29 no PDB  2KKW          . "Slas-Micelle Bound Alpha-Synuclein"                                                                                              . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      30 no PDB  2M55          . "Nmr Structure Of The Complex Of An N-terminally Acetylated Alpha- Synuclein Peptide With Calmodulin"                             . . . . . 95.00  21 100.00 100.00 2.33e-02 . . . . 19036 2 
      31 no PDB  3Q25          . "Crystal Structure Of Human Alpha-Synuclein (1-19) Fused To Maltose Binding Protein (Mbp)"                                        . . . . . 95.00 390 100.00 100.00 8.17e-02 . . . . 19036 2 
      32 no PDB  3Q29          . "Cyrstal Structure Of Human Alpha-Synuclein (1-19) Fused To Maltose Binding Protein (Mbp)"                                        . . . . . 95.00 390 100.00 100.00 8.17e-02 . . . . 19036 2 
      33 no DBJ  BAA06625      . "NACP112 [Homo sapiens]"                                                                                                          . . . . . 95.00 112 100.00 100.00 1.39e-02 . . . . 19036 2 
      34 no DBJ  BAB29375      . "unnamed protein product [Mus musculus]"                                                                                          . . . . . 95.00 122 100.00 100.00 1.59e-02 . . . . 19036 2 
      35 no DBJ  BAE33670      . "unnamed protein product [Mus musculus]"                                                                                          . . . . . 95.00 140 100.00 100.00 1.82e-02 . . . . 19036 2 
      36 no DBJ  BAF82858      . "unnamed protein product [Homo sapiens]"                                                                                          . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      37 no DBJ  BAG73790      . "synuclein, alpha [synthetic construct]"                                                                                          . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      38 no EMBL CAG33339      . "SNCA [Homo sapiens]"                                                                                                             . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      39 no EMBL CAG46454      . "SNCA [Homo sapiens]"                                                                                                             . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      40 no GB   AAA16117      . "AD amyloid [Homo sapiens]"                                                                                                       . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      41 no GB   AAA93538      . "synelfin [Serinus canaria]"                                                                                                      . . . . . 95.00 143 100.00 100.00 1.59e-02 . . . . 19036 2 
      42 no GB   AAA98487      . "synuclein [Homo sapiens]"                                                                                                        . . . . . 95.00 112 100.00 100.00 1.39e-02 . . . . 19036 2 
      43 no GB   AAA98493      . "synuclein [Homo sapiens]"                                                                                                        . . . . . 95.00 126 100.00 100.00 1.53e-02 . . . . 19036 2 
      44 no GB   AAB20688      . "synuclein SYN1 [Rattus sp.]"                                                                                                     . . . . . 95.00 140 100.00 100.00 1.78e-02 . . . . 19036 2 
      45 no REF  NP_000336     . "alpha-synuclein isoform NACP140 [Homo sapiens]"                                                                                  . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      46 no REF  NP_001009158  . "alpha-synuclein [Pan troglodytes]"                                                                                               . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      47 no REF  NP_001029213  . "alpha-synuclein [Bos taurus]"                                                                                                    . . . . . 95.00 140 100.00 100.00 1.86e-02 . . . . 19036 2 
      48 no REF  NP_001032222  . "alpha-synuclein [Sus scrofa]"                                                                                                    . . . . . 95.00 140 100.00 100.00 1.72e-02 . . . . 19036 2 
      49 no REF  NP_001035916  . "alpha-synuclein [Mus musculus]"                                                                                                  . . . . . 95.00 140 100.00 100.00 1.82e-02 . . . . 19036 2 
      50 no SP   O55042        . "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" . . . . . 95.00 140 100.00 100.00 1.82e-02 . . . . 19036 2 
      51 no SP   P37377        . "RecName: Full=Alpha-synuclein [Rattus norvegicus]"                                                                               . . . . . 95.00 140 100.00 100.00 1.78e-02 . . . . 19036 2 
      52 no SP   P37840        . "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      53 no SP   P61138        . "RecName: Full=Alpha-synuclein [Ateles geoffroyi]"                                                                                . . . . . 95.00 140 100.00 100.00 1.80e-02 . . . . 19036 2 
      54 no SP   P61139        . "RecName: Full=Alpha-synuclein [Erythrocebus patas]"                                                                              . . . . . 95.00 140 100.00 100.00 1.84e-02 . . . . 19036 2 
      55 no TPG  DAA28796      . "TPA: alpha-synuclein [Bos taurus]"                                                                                               . . . . . 95.00 140 100.00 100.00 1.86e-02 . . . . 19036 2 

   stop_

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

       1 201 MET . 19036 2 
       2 202 ASP . 19036 2 
       3 203 VAL . 19036 2 
       4 204 PHE . 19036 2 
       5 205 MET . 19036 2 
       6 206 LYS . 19036 2 
       7 207 GLY . 19036 2 
       8 208 LEU . 19036 2 
       9 209 SER . 19036 2 
      10 210 LYS . 19036 2 
      11 211 ALA . 19036 2 
      12 212 LYS . 19036 2 
      13 213 GLU . 19036 2 
      14 214 GLY . 19036 2 
      15 215 VAL . 19036 2 
      16 216 VAL . 19036 2 
      17 217 ALA . 19036 2 
      18 218 ALA . 19036 2 
      19 219 ALA . 19036 2 
      20 220 NH2 . 19036 2 

   stop_

   loop_
      _Entity_poly_seq.Hetero
      _Entity_poly_seq.Mon_ID
      _Entity_poly_seq.Num
      _Entity_poly_seq.Comp_index_ID
      _Entity_poly_seq.Entry_ID
      _Entity_poly_seq.Entity_ID

      . MET  1  1 19036 2 
      . ASP  2  2 19036 2 
      . VAL  3  3 19036 2 
      . PHE  4  4 19036 2 
      . MET  5  5 19036 2 
      . LYS  6  6 19036 2 
      . GLY  7  7 19036 2 
      . LEU  8  8 19036 2 
      . SER  9  9 19036 2 
      . LYS 10 10 19036 2 
      . ALA 11 11 19036 2 
      . LYS 12 12 19036 2 
      . GLU 13 13 19036 2 
      . GLY 14 14 19036 2 
      . VAL 15 15 19036 2 
      . VAL 16 16 19036 2 
      . ALA 17 17 19036 2 
      . ALA 18 18 19036 2 
      . ALA 19 19 19036 2 
      . NH2 20 20 19036 2 

   stop_

save_


save_entity_ACE
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      entity_ACE
   _Entity.Entry_ID                          19036
   _Entity.ID                                3
   _Entity.BMRB_code                         ACE
   _Entity.Name                             'ACETYL GROUP'
   _Entity.Type                              non-polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      .
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code       .
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   .
   _Entity.Ambiguous_chem_comp_sites         .
   _Entity.Nstd_monomer                      .
   _Entity.Nstd_chirality                    .
   _Entity.Nstd_linkage                      .
   _Entity.Nonpolymer_comp_ID                ACE
   _Entity.Nonpolymer_comp_label            $chem_comp_ACE
   _Entity.Number_of_monomers                .
   _Entity.Number_of_nonpolymer_components   1
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      'not present'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  3
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    44.053
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        .

   loop_
      _Entity_common_name.Name
      _Entity_common_name.Type
      _Entity_common_name.Entry_ID
      _Entity_common_name.Entity_ID

      'ACETYL GROUP' BMRB 19036 3 

   stop_

   loop_
      _Entity_systematic_name.Name
      _Entity_systematic_name.Naming_system
      _Entity_systematic_name.Entry_ID
      _Entity_systematic_name.Entity_ID

      'ACETYL GROUP'  BMRB               19036 3 
       ACE           'Three letter code' 19036 3 

   stop_

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

      1 1 ACE $chem_comp_ACE 19036 3 

   stop_

   loop_
      _Entity_atom_list.ID
      _Entity_atom_list.Comp_index_ID
      _Entity_atom_list.Comp_ID
      _Entity_atom_list.Atom_ID
      _Entity_atom_list.Entry_ID
      _Entity_atom_list.Entity_ID

      1 1 ACE C   19036 3 
      2 1 ACE CH3 19036 3 
      3 1 ACE H   19036 3 
      4 1 ACE H1  19036 3 
      5 1 ACE H2  19036 3 
      6 1 ACE H3  19036 3 
      7 1 ACE O   19036 3 

   stop_

save_


save_entity_CA
   _Entity.Sf_category                       entity
   _Entity.Sf_framecode                      entity_CA
   _Entity.Entry_ID                          19036
   _Entity.ID                                4
   _Entity.BMRB_code                         CA
   _Entity.Name                             'CALCIUM ION'
   _Entity.Type                              non-polymer
   _Entity.Polymer_common_type               .
   _Entity.Polymer_type                      .
   _Entity.Polymer_type_details              .
   _Entity.Polymer_strand_ID                 .
   _Entity.Polymer_seq_one_letter_code_can   .
   _Entity.Polymer_seq_one_letter_code       .
   _Entity.Target_identifier                 .
   _Entity.Polymer_author_defined_seq        .
   _Entity.Polymer_author_seq_details        .
   _Entity.Ambiguous_conformational_states   .
   _Entity.Ambiguous_chem_comp_sites         .
   _Entity.Nstd_monomer                      .
   _Entity.Nstd_chirality                    .
   _Entity.Nstd_linkage                      .
   _Entity.Nonpolymer_comp_ID                CA
   _Entity.Nonpolymer_comp_label            $chem_comp_CA
   _Entity.Number_of_monomers                .
   _Entity.Number_of_nonpolymer_components   1
   _Entity.Paramagnetic                      no
   _Entity.Thiol_state                      'not present'
   _Entity.Src_method                        .
   _Entity.Parent_entity_ID                  4
   _Entity.Fragment                          .
   _Entity.Mutation                          .
   _Entity.EC_number                         .
   _Entity.Calc_isoelectric_point            .
   _Entity.Formula_weight                    40.078
   _Entity.Formula_weight_exptl              .
   _Entity.Formula_weight_exptl_meth         .
   _Entity.Details                           .
   _Entity.DB_query_date                     .
   _Entity.DB_query_revised_last_date        .

   loop_
      _Entity_common_name.Name
      _Entity_common_name.Type
      _Entity_common_name.Entry_ID
      _Entity_common_name.Entity_ID

      'CALCIUM ION' BMRB 19036 4 

   stop_

   loop_
      _Entity_systematic_name.Name
      _Entity_systematic_name.Naming_system
      _Entity_systematic_name.Entry_ID
      _Entity_systematic_name.Entity_ID

      'CALCIUM ION'  BMRB               19036 4 
       CA           'Three letter code' 19036 4 

   stop_

   loop_
      _Entity_comp_index.ID
      _Entity_comp_index.Auth_seq_ID
      _Entity_comp_index.Comp_ID
      _Entity_comp_index.Comp_label
      _Entity_comp_index.Entry_ID
      _Entity_comp_index.Entity_ID

      1 1 CA $chem_comp_CA 19036 4 

   stop_

   loop_
      _Entity_atom_list.ID
      _Entity_atom_list.Comp_index_ID
      _Entity_atom_list.Comp_ID
      _Entity_atom_list.Atom_ID
      _Entity_atom_list.Entry_ID
      _Entity_atom_list.Entity_ID

      1 1 CA CA 19036 4 

   stop_

save_


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

save_natural_source
   _Entity_natural_src_list.Sf_category    natural_source
   _Entity_natural_src_list.Sf_framecode   natural_source
   _Entity_natural_src_list.Entry_ID       19036
   _Entity_natural_src_list.ID             1

   loop_
      _Entity_natural_src.ID
      _Entity_natural_src.Entity_ID
      _Entity_natural_src.Entity_label
      _Entity_natural_src.Entity_chimera_segment_ID
      _Entity_natural_src.NCBI_taxonomy_ID
      _Entity_natural_src.Type
      _Entity_natural_src.Common
      _Entity_natural_src.Organism_name_scientific
      _Entity_natural_src.Organism_name_common
      _Entity_natural_src.Organism_acronym
      _Entity_natural_src.ICTVdb_decimal_code
      _Entity_natural_src.Superkingdom
      _Entity_natural_src.Kingdom
      _Entity_natural_src.Genus
      _Entity_natural_src.Species
      _Entity_natural_src.Strain
      _Entity_natural_src.Variant
      _Entity_natural_src.Subvariant
      _Entity_natural_src.Organ
      _Entity_natural_src.Tissue
      _Entity_natural_src.Tissue_fraction
      _Entity_natural_src.Cell_line
      _Entity_natural_src.Cell_type
      _Entity_natural_src.ATCC_number
      _Entity_natural_src.Organelle
      _Entity_natural_src.Cellular_location
      _Entity_natural_src.Fragment
      _Entity_natural_src.Fraction
      _Entity_natural_src.Secretion
      _Entity_natural_src.Plasmid
      _Entity_natural_src.Plasmid_details
      _Entity_natural_src.Gene_mnemonic
      _Entity_natural_src.Dev_stage
      _Entity_natural_src.Details
      _Entity_natural_src.Citation_ID
      _Entity_natural_src.Citation_label
      _Entity_natural_src.Entry_ID
      _Entity_natural_src.Entity_natural_src_list_ID

      1 1 $calmodulin . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19036 1 
      2 2 $peptide    . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19036 1 

   stop_

save_


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

save_experimental_source
   _Entity_experimental_src_list.Sf_category    experimental_source
   _Entity_experimental_src_list.Sf_framecode   experimental_source
   _Entity_experimental_src_list.Entry_ID       19036
   _Entity_experimental_src_list.ID             1

   loop_
      _Entity_experimental_src.ID
      _Entity_experimental_src.Entity_ID
      _Entity_experimental_src.Entity_label
      _Entity_experimental_src.Entity_chimera_segment_ID
      _Entity_experimental_src.Production_method
      _Entity_experimental_src.Host_org_scientific_name
      _Entity_experimental_src.Host_org_name_common
      _Entity_experimental_src.Host_org_details
      _Entity_experimental_src.Host_org_NCBI_taxonomy_ID
      _Entity_experimental_src.Host_org_genus
      _Entity_experimental_src.Host_org_species
      _Entity_experimental_src.Host_org_strain
      _Entity_experimental_src.Host_org_variant
      _Entity_experimental_src.Host_org_subvariant
      _Entity_experimental_src.Host_org_organ
      _Entity_experimental_src.Host_org_tissue
      _Entity_experimental_src.Host_org_tissue_fraction
      _Entity_experimental_src.Host_org_cell_line
      _Entity_experimental_src.Host_org_cell_type
      _Entity_experimental_src.Host_org_cellular_location
      _Entity_experimental_src.Host_org_organelle
      _Entity_experimental_src.Host_org_gene
      _Entity_experimental_src.Host_org_culture_collection
      _Entity_experimental_src.Host_org_ATCC_number
      _Entity_experimental_src.Vector_type
      _Entity_experimental_src.PDBview_host_org_vector_name
      _Entity_experimental_src.PDBview_plasmid_name
      _Entity_experimental_src.Vector_name
      _Entity_experimental_src.Vector_details
      _Entity_experimental_src.Vendor_name
      _Entity_experimental_src.Host_org_dev_stage
      _Entity_experimental_src.Details
      _Entity_experimental_src.Citation_ID
      _Entity_experimental_src.Citation_label
      _Entity_experimental_src.Entry_ID
      _Entity_experimental_src.Entity_experimental_src_list_ID

      1 1 $calmodulin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet17b . . . . . . 19036 1 
      2 2 $peptide    . 'chemical synthesis'      .                 . . . .           .    . . . . . . . . . . . . . . . . .      . . . . . . 19036 1 
      3 3 $entity_ACE . 'chemical synthesis'      .                 . . . .           .    . . . . . . . . . . . . . . . . .      . . . . . . 19036 1 
      4 4 $entity_CA  . 'obtained from a vendor'  .                 . . . .           .    . . . . . . . . . . . . . . . . .      . . . . . . 19036 1 

   stop_

save_


    #################################
    #  Polymer residues and ligands #
    #################################

save_chem_comp_NH2
   _Chem_comp.Sf_category                       chem_comp
   _Chem_comp.Sf_framecode                      chem_comp_NH2
   _Chem_comp.Entry_ID                          19036
   _Chem_comp.ID                                NH2
   _Chem_comp.Provenance                        PDB
   _Chem_comp.Name                             'AMINO GROUP'
   _Chem_comp.Type                              NON-POLYMER
   _Chem_comp.BMRB_code                         NH2
   _Chem_comp.PDB_code                          NH2
   _Chem_comp.Ambiguous_flag                    yes
   _Chem_comp.Initial_date                      2012-11-20
   _Chem_comp.Modified_date                     2012-11-20
   _Chem_comp.Release_status                    REL
   _Chem_comp.Replaced_by                       .
   _Chem_comp.Replaces                          .
   _Chem_comp.One_letter_code                   .
   _Chem_comp.Three_letter_code                 NH2
   _Chem_comp.Number_atoms_all                  3
   _Chem_comp.Number_atoms_nh                   1
   _Chem_comp.PubChem_code                      .
   _Chem_comp.Subcomponent_list                 .
   _Chem_comp.InChI_code                        InChI=1/H3N/h1H3
   _Chem_comp.Mon_nstd_flag                     .
   _Chem_comp.Mon_nstd_class                    .
   _Chem_comp.Mon_nstd_details                  .
   _Chem_comp.Mon_nstd_parent                   .
   _Chem_comp.Mon_nstd_parent_comp_ID           .
   _Chem_comp.Std_deriv_one_letter_code         .
   _Chem_comp.Std_deriv_three_letter_code       .
   _Chem_comp.Std_deriv_BMRB_code               .
   _Chem_comp.Std_deriv_PDB_code                .
   _Chem_comp.Std_deriv_chem_comp_name          .
   _Chem_comp.Synonyms                          .
   _Chem_comp.Formal_charge                     0
   _Chem_comp.Paramagnetic                      no
   _Chem_comp.Aromatic                          no
   _Chem_comp.Formula                          'H2 N'
   _Chem_comp.Formula_weight                    16.023
   _Chem_comp.Formula_mono_iso_wt_nat           .
   _Chem_comp.Formula_mono_iso_wt_13C           .
   _Chem_comp.Formula_mono_iso_wt_15N           .
   _Chem_comp.Formula_mono_iso_wt_13C_15N       .
   _Chem_comp.Image_file_name                   .
   _Chem_comp.Image_file_format                 .
   _Chem_comp.Topo_file_name                    .
   _Chem_comp.Topo_file_format                  .
   _Chem_comp.Struct_file_name                  .
   _Chem_comp.Struct_file_format                .
   _Chem_comp.Stereochem_param_file_name        .
   _Chem_comp.Stereochem_param_file_format      .
   _Chem_comp.Model_details                     .
   _Chem_comp.Model_erf                         .
   _Chem_comp.Model_source                      .
   _Chem_comp.Model_coordinates_details         .
   _Chem_comp.Model_coordinates_missing_flag    no
   _Chem_comp.Ideal_coordinates_details        'OpenEye OEToolkits'
   _Chem_comp.Ideal_coordinates_missing_flag    no
   _Chem_comp.Model_coordinates_db_code         2FLY
   _Chem_comp.Processing_site                   RCSB
   _Chem_comp.Vendor                            .
   _Chem_comp.Vendor_product_code               .
   _Chem_comp.Details                           .
   _Chem_comp.DB_query_date                     .
   _Chem_comp.DB_last_query_revised_last_date   .

   loop_
      _Chem_comp_descriptor.Descriptor
      _Chem_comp_descriptor.Type
      _Chem_comp_descriptor.Program
      _Chem_comp_descriptor.Program_version
      _Chem_comp_descriptor.Entry_ID
      _Chem_comp_descriptor.Comp_ID

      InChI=1/H3N/h1H3          InChI             InChI               1.02b     19036 NH2 
      N                         SMILES            ACDLabs                10.04  19036 NH2 
      [NH2]                     SMILES            CACTVS                  3.341 19036 NH2 
      [NH2]                     SMILES           'OpenEye OEToolkits' 1.5.0     19036 NH2 
      [NH2]                     SMILES_CANONICAL  CACTVS                  3.341 19036 NH2 
      [NH2]                     SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0     19036 NH2 
      QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey          InChI               1.02b     19036 NH2 

   stop_

   loop_
      _Chem_comp_identifier.Identifier
      _Chem_comp_identifier.Type
      _Chem_comp_identifier.Program
      _Chem_comp_identifier.Program_version
      _Chem_comp_identifier.Entry_ID
      _Chem_comp_identifier.Comp_ID

      ammonia     'SYSTEMATIC NAME'  ACDLabs                10.04 19036 NH2 
      l^{2}-azane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0    19036 NH2 

   stop_

   loop_
      _Chem_comp_atom.Atom_ID
      _Chem_comp_atom.BMRB_code
      _Chem_comp_atom.PDB_atom_ID
      _Chem_comp_atom.Alt_atom_ID
      _Chem_comp_atom.Auth_atom_ID
      _Chem_comp_atom.Type_symbol
      _Chem_comp_atom.Isotope_number
      _Chem_comp_atom.Chirality
      _Chem_comp_atom.Stereo_config
      _Chem_comp_atom.Charge
      _Chem_comp_atom.Partial_charge
      _Chem_comp_atom.Oxidation_number
      _Chem_comp_atom.Unpaired_electron_number
      _Chem_comp_atom.Align
      _Chem_comp_atom.Aromatic_flag
      _Chem_comp_atom.Leaving_atom_flag
      _Chem_comp_atom.Substruct_code
      _Chem_comp_atom.Ionizable
      _Chem_comp_atom.Drawing_2D_coord_x
      _Chem_comp_atom.Drawing_2D_coord_y
      _Chem_comp_atom.Model_Cartn_x
      _Chem_comp_atom.Model_Cartn_x_esd
      _Chem_comp_atom.Model_Cartn_y
      _Chem_comp_atom.Model_Cartn_y_esd
      _Chem_comp_atom.Model_Cartn_z
      _Chem_comp_atom.Model_Cartn_z_esd
      _Chem_comp_atom.Model_Cartn_x_ideal
      _Chem_comp_atom.Model_Cartn_y_ideal
      _Chem_comp_atom.Model_Cartn_z_ideal
      _Chem_comp_atom.PDBX_ordinal
      _Chem_comp_atom.Details
      _Chem_comp_atom.Entry_ID
      _Chem_comp_atom.Comp_ID

      N   N   N   N   . N . . N 0 . . . 1 no no . . . . 10.091 . 8.978 . -7.810 .  0.000  0.000  0.000 1 . 19036 NH2 
      HN1 HN1 HN1 1HN . H . . N 0 . . . 1 no no . . . .  9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . 19036 NH2 
      HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no no . . . . 10.323 . 9.890 . -8.082 .  1.020  0.000  0.000 3 . 19036 NH2 

   stop_

   loop_
      _Chem_comp_bond.ID
      _Chem_comp_bond.Type
      _Chem_comp_bond.Value_order
      _Chem_comp_bond.Atom_ID_1
      _Chem_comp_bond.Atom_ID_2
      _Chem_comp_bond.Aromatic_flag
      _Chem_comp_bond.Stereo_config
      _Chem_comp_bond.Ordinal
      _Chem_comp_bond.Details
      _Chem_comp_bond.Entry_ID
      _Chem_comp_bond.Comp_ID

      1 . SING N HN1 no N 1 . 19036 NH2 
      2 . SING N HN2 no N 2 . 19036 NH2 

   stop_

save_


save_chem_comp_ACE
   _Chem_comp.Sf_category                       chem_comp
   _Chem_comp.Sf_framecode                      chem_comp_ACE
   _Chem_comp.Entry_ID                          19036
   _Chem_comp.ID                                ACE
   _Chem_comp.Provenance                        PDB
   _Chem_comp.Name                             'ACETYL GROUP'
   _Chem_comp.Type                              NON-POLYMER
   _Chem_comp.BMRB_code                         ACE
   _Chem_comp.PDB_code                          ACE
   _Chem_comp.Ambiguous_flag                    no
   _Chem_comp.Initial_date                      2012-11-20
   _Chem_comp.Modified_date                     2012-11-20
   _Chem_comp.Release_status                    REL
   _Chem_comp.Replaced_by                       .
   _Chem_comp.Replaces                          ACU
   _Chem_comp.One_letter_code                   .
   _Chem_comp.Three_letter_code                 ACE
   _Chem_comp.Number_atoms_all                  7
   _Chem_comp.Number_atoms_nh                   3
   _Chem_comp.PubChem_code                      .
   _Chem_comp.Subcomponent_list                 .
   _Chem_comp.InChI_code                        InChI=1S/C2H4O/c1-2-3/h2H,1H3
   _Chem_comp.Mon_nstd_flag                     .
   _Chem_comp.Mon_nstd_class                    .
   _Chem_comp.Mon_nstd_details                  .
   _Chem_comp.Mon_nstd_parent                   .
   _Chem_comp.Mon_nstd_parent_comp_ID           .
   _Chem_comp.Std_deriv_one_letter_code         .
   _Chem_comp.Std_deriv_three_letter_code       .
   _Chem_comp.Std_deriv_BMRB_code               .
   _Chem_comp.Std_deriv_PDB_code                .
   _Chem_comp.Std_deriv_chem_comp_name          .
   _Chem_comp.Synonyms                          .
   _Chem_comp.Formal_charge                     0
   _Chem_comp.Paramagnetic                      no
   _Chem_comp.Aromatic                          no
   _Chem_comp.Formula                          'C2 H4 O'
   _Chem_comp.Formula_weight                    44.053
   _Chem_comp.Formula_mono_iso_wt_nat           .
   _Chem_comp.Formula_mono_iso_wt_13C           .
   _Chem_comp.Formula_mono_iso_wt_15N           .
   _Chem_comp.Formula_mono_iso_wt_13C_15N       .
   _Chem_comp.Image_file_name                   .
   _Chem_comp.Image_file_format                 .
   _Chem_comp.Topo_file_name                    .
   _Chem_comp.Topo_file_format                  .
   _Chem_comp.Struct_file_name                  .
   _Chem_comp.Struct_file_format                .
   _Chem_comp.Stereochem_param_file_name        .
   _Chem_comp.Stereochem_param_file_format      .
   _Chem_comp.Model_details                     .
   _Chem_comp.Model_erf                         .
   _Chem_comp.Model_source                      .
   _Chem_comp.Model_coordinates_details         .
   _Chem_comp.Model_coordinates_missing_flag    no
   _Chem_comp.Ideal_coordinates_details         .
   _Chem_comp.Ideal_coordinates_missing_flag    no
   _Chem_comp.Model_coordinates_db_code         .
   _Chem_comp.Processing_site                   EBI
   _Chem_comp.Vendor                            .
   _Chem_comp.Vendor_product_code               .
   _Chem_comp.Details                           .
   _Chem_comp.DB_query_date                     .
   _Chem_comp.DB_last_query_revised_last_date   .

   loop_
      _Chem_comp_descriptor.Descriptor
      _Chem_comp_descriptor.Type
      _Chem_comp_descriptor.Program
      _Chem_comp_descriptor.Program_version
      _Chem_comp_descriptor.Entry_ID
      _Chem_comp_descriptor.Comp_ID

      CC=O                          SMILES            CACTVS                  3.341 19036 ACE 
      CC=O                          SMILES           'OpenEye OEToolkits' 1.5.0     19036 ACE 
      CC=O                          SMILES_CANONICAL  CACTVS                  3.341 19036 ACE 
      CC=O                          SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0     19036 ACE 
      IKHGUXGNUITLKF-UHFFFAOYSA-N   InChIKey          InChI                   1.03  19036 ACE 
      InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI             InChI                   1.03  19036 ACE 
      O=CC                          SMILES            ACDLabs                10.04  19036 ACE 

   stop_

   loop_
      _Chem_comp_identifier.Identifier
      _Chem_comp_identifier.Type
      _Chem_comp_identifier.Program
      _Chem_comp_identifier.Program_version
      _Chem_comp_identifier.Entry_ID
      _Chem_comp_identifier.Comp_ID

      acetaldehyde 'SYSTEMATIC NAME'  ACDLabs                10.04 19036 ACE 
      ethanal      'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0    19036 ACE 

   stop_

   loop_
      _Chem_comp_atom.Atom_ID
      _Chem_comp_atom.BMRB_code
      _Chem_comp_atom.PDB_atom_ID
      _Chem_comp_atom.Alt_atom_ID
      _Chem_comp_atom.Auth_atom_ID
      _Chem_comp_atom.Type_symbol
      _Chem_comp_atom.Isotope_number
      _Chem_comp_atom.Chirality
      _Chem_comp_atom.Stereo_config
      _Chem_comp_atom.Charge
      _Chem_comp_atom.Partial_charge
      _Chem_comp_atom.Oxidation_number
      _Chem_comp_atom.Unpaired_electron_number
      _Chem_comp_atom.Align
      _Chem_comp_atom.Aromatic_flag
      _Chem_comp_atom.Leaving_atom_flag
      _Chem_comp_atom.Substruct_code
      _Chem_comp_atom.Ionizable
      _Chem_comp_atom.Drawing_2D_coord_x
      _Chem_comp_atom.Drawing_2D_coord_y
      _Chem_comp_atom.Model_Cartn_x
      _Chem_comp_atom.Model_Cartn_x_esd
      _Chem_comp_atom.Model_Cartn_y
      _Chem_comp_atom.Model_Cartn_y_esd
      _Chem_comp_atom.Model_Cartn_z
      _Chem_comp_atom.Model_Cartn_z_esd
      _Chem_comp_atom.Model_Cartn_x_ideal
      _Chem_comp_atom.Model_Cartn_y_ideal
      _Chem_comp_atom.Model_Cartn_z_ideal
      _Chem_comp_atom.PDBX_ordinal
      _Chem_comp_atom.Details
      _Chem_comp_atom.Entry_ID
      _Chem_comp_atom.Comp_ID

      C   C   C   C   . C . . N 0 . . . 1 no no . . . .  0.772 . -10.072 . 6.578 . -0.133  0.453  0.000 1 . 19036 ACE 
      O   O   O   O   . O . . N 0 . . . 1 no no . . . .  1.973 . -10.223 . 6.862 . -1.113 -0.252  0.000 2 . 19036 ACE 
      CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 no no . . . . -0.322 . -10.677 . 7.405 .  1.241 -0.167  0.000 3 . 19036 ACE 
      H   H   H   H   . H . . N 0 . . . 1 no no . . . .  0.685 .  -9.453 . 5.669 . -0.240  1.528  0.000 4 . 19036 ACE 
      H1  H1  H1  1H  . H . . N 0 . . . 1 no no . . . . -1.191 . -10.444 . 7.018 .  1.360 -0.785  0.890 5 . 19036 ACE 
      H2  H2  H2  2H  . H . . N 0 . . . 1 no no . . . . -0.269 . -10.331 . 8.320 .  1.360 -0.785 -0.890 6 . 19036 ACE 
      H3  H3  H3  3H  . H . . N 0 . . . 1 no no . . . . -0.221 . -11.652 . 7.418 .  1.995  0.620  0.000 7 . 19036 ACE 

   stop_

   loop_
      _Chem_comp_bond.ID
      _Chem_comp_bond.Type
      _Chem_comp_bond.Value_order
      _Chem_comp_bond.Atom_ID_1
      _Chem_comp_bond.Atom_ID_2
      _Chem_comp_bond.Aromatic_flag
      _Chem_comp_bond.Stereo_config
      _Chem_comp_bond.Ordinal
      _Chem_comp_bond.Details
      _Chem_comp_bond.Entry_ID
      _Chem_comp_bond.Comp_ID

      1 . DOUB C   O   no N 1 . 19036 ACE 
      2 . SING C   CH3 no N 2 . 19036 ACE 
      3 . SING C   H   no N 3 . 19036 ACE 
      4 . SING CH3 H1  no N 4 . 19036 ACE 
      5 . SING CH3 H2  no N 5 . 19036 ACE 
      6 . SING CH3 H3  no N 6 . 19036 ACE 

   stop_

save_


save_chem_comp_CA
   _Chem_comp.Sf_category                       chem_comp
   _Chem_comp.Sf_framecode                      chem_comp_CA
   _Chem_comp.Entry_ID                          19036
   _Chem_comp.ID                                CA
   _Chem_comp.Provenance                        PDB
   _Chem_comp.Name                             'CALCIUM ION'
   _Chem_comp.Type                              NON-POLYMER
   _Chem_comp.BMRB_code                         CA
   _Chem_comp.PDB_code                          CA
   _Chem_comp.Ambiguous_flag                    no
   _Chem_comp.Initial_date                      2012-11-20
   _Chem_comp.Modified_date                     2012-11-20
   _Chem_comp.Release_status                    REL
   _Chem_comp.Replaced_by                       .
   _Chem_comp.Replaces                          .
   _Chem_comp.One_letter_code                   .
   _Chem_comp.Three_letter_code                 CA
   _Chem_comp.Number_atoms_all                  1
   _Chem_comp.Number_atoms_nh                   1
   _Chem_comp.PubChem_code                      .
   _Chem_comp.Subcomponent_list                 .
   _Chem_comp.InChI_code                        InChI=1S/Ca/q+2
   _Chem_comp.Mon_nstd_flag                     .
   _Chem_comp.Mon_nstd_class                    .
   _Chem_comp.Mon_nstd_details                  .
   _Chem_comp.Mon_nstd_parent                   .
   _Chem_comp.Mon_nstd_parent_comp_ID           .
   _Chem_comp.Std_deriv_one_letter_code         .
   _Chem_comp.Std_deriv_three_letter_code       .
   _Chem_comp.Std_deriv_BMRB_code               .
   _Chem_comp.Std_deriv_PDB_code                .
   _Chem_comp.Std_deriv_chem_comp_name          .
   _Chem_comp.Synonyms                          .
   _Chem_comp.Formal_charge                     2
   _Chem_comp.Paramagnetic                      no
   _Chem_comp.Aromatic                          no
   _Chem_comp.Formula                           Ca
   _Chem_comp.Formula_weight                    40.078
   _Chem_comp.Formula_mono_iso_wt_nat           .
   _Chem_comp.Formula_mono_iso_wt_13C           .
   _Chem_comp.Formula_mono_iso_wt_15N           .
   _Chem_comp.Formula_mono_iso_wt_13C_15N       .
   _Chem_comp.Image_file_name                   .
   _Chem_comp.Image_file_format                 .
   _Chem_comp.Topo_file_name                    .
   _Chem_comp.Topo_file_format                  .
   _Chem_comp.Struct_file_name                  .
   _Chem_comp.Struct_file_format                .
   _Chem_comp.Stereochem_param_file_name        .
   _Chem_comp.Stereochem_param_file_format      .
   _Chem_comp.Model_details                     .
   _Chem_comp.Model_erf                         .
   _Chem_comp.Model_source                      .
   _Chem_comp.Model_coordinates_details         .
   _Chem_comp.Model_coordinates_missing_flag    no
   _Chem_comp.Ideal_coordinates_details         .
   _Chem_comp.Ideal_coordinates_missing_flag    no
   _Chem_comp.Model_coordinates_db_code         .
   _Chem_comp.Processing_site                   RCSB
   _Chem_comp.Vendor                            .
   _Chem_comp.Vendor_product_code               .
   _Chem_comp.Details                           .
   _Chem_comp.DB_query_date                     .
   _Chem_comp.DB_last_query_revised_last_date   .

   loop_
      _Chem_comp_descriptor.Descriptor
      _Chem_comp_descriptor.Type
      _Chem_comp_descriptor.Program
      _Chem_comp_descriptor.Program_version
      _Chem_comp_descriptor.Entry_ID
      _Chem_comp_descriptor.Comp_ID

      BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey          InChI                   1.03  19036 CA 
      [Ca++]                      SMILES            CACTVS                  3.341 19036 CA 
      [Ca++]                      SMILES_CANONICAL  CACTVS                  3.341 19036 CA 
      [Ca+2]                      SMILES            ACDLabs                10.04  19036 CA 
      [Ca+2]                      SMILES           'OpenEye OEToolkits' 1.5.0     19036 CA 
      [Ca+2]                      SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0     19036 CA 
      InChI=1S/Ca/q+2             InChI             InChI                   1.03  19036 CA 

   stop_

   loop_
      _Chem_comp_identifier.Identifier
      _Chem_comp_identifier.Type
      _Chem_comp_identifier.Program
      _Chem_comp_identifier.Program_version
      _Chem_comp_identifier.Entry_ID
      _Chem_comp_identifier.Comp_ID

       calcium             'SYSTEMATIC NAME'  ACDLabs                10.04 19036 CA 
      'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0    19036 CA 

   stop_

   loop_
      _Chem_comp_atom.Atom_ID
      _Chem_comp_atom.BMRB_code
      _Chem_comp_atom.PDB_atom_ID
      _Chem_comp_atom.Alt_atom_ID
      _Chem_comp_atom.Auth_atom_ID
      _Chem_comp_atom.Type_symbol
      _Chem_comp_atom.Isotope_number
      _Chem_comp_atom.Chirality
      _Chem_comp_atom.Stereo_config
      _Chem_comp_atom.Charge
      _Chem_comp_atom.Partial_charge
      _Chem_comp_atom.Oxidation_number
      _Chem_comp_atom.Unpaired_electron_number
      _Chem_comp_atom.Align
      _Chem_comp_atom.Aromatic_flag
      _Chem_comp_atom.Leaving_atom_flag
      _Chem_comp_atom.Substruct_code
      _Chem_comp_atom.Ionizable
      _Chem_comp_atom.Drawing_2D_coord_x
      _Chem_comp_atom.Drawing_2D_coord_y
      _Chem_comp_atom.Model_Cartn_x
      _Chem_comp_atom.Model_Cartn_x_esd
      _Chem_comp_atom.Model_Cartn_y
      _Chem_comp_atom.Model_Cartn_y_esd
      _Chem_comp_atom.Model_Cartn_z
      _Chem_comp_atom.Model_Cartn_z_esd
      _Chem_comp_atom.Model_Cartn_x_ideal
      _Chem_comp_atom.Model_Cartn_y_ideal
      _Chem_comp_atom.Model_Cartn_z_ideal
      _Chem_comp_atom.PDBX_ordinal
      _Chem_comp_atom.Details
      _Chem_comp_atom.Entry_ID
      _Chem_comp_atom.Comp_ID

      CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 19036 CA 

   stop_

save_


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

save_sample_1
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_1
   _Sample.Entry_ID                         19036
   _Sample.ID                               1
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                  '95% H2O/5% D2O'
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

   loop_
      _Sample_component.ID
      _Sample_component.Mol_common_name
      _Sample_component.Isotopic_labeling
      _Sample_component.Assembly_ID
      _Sample_component.Assembly_label
      _Sample_component.Entity_ID
      _Sample_component.Entity_label
      _Sample_component.Product_ID
      _Sample_component.Type
      _Sample_component.Concentration_val
      _Sample_component.Concentration_val_min
      _Sample_component.Concentration_val_max
      _Sample_component.Concentration_val_units
      _Sample_component.Concentration_val_err
      _Sample_component.Vendor
      _Sample_component.Vendor_product_name
      _Sample_component.Vendor_product_code
      _Sample_component.Entry_ID
      _Sample_component.Sample_ID

      1  calmodulin          '[U-99% 13C; U-99% 15N]' . . 1 $calmodulin . . 600 . . uM . . . . 19036 1 
      2  peptide             'natural abundance'      . . 2 $peptide    . . 600 . . uM . . . . 19036 1 
      3  MES                 'natural abundance'      . .  .  .          . .  50 . . mM . . . . 19036 1 
      4 'potassium chloride' 'natural abundance'      . .  .  .          . . 100 . . mM . . . . 19036 1 
      5 'CALCIUM ION'        'natural abundance'      . . 4 $entity_CA  . .   3 . . mM . . . . 19036 1 
      6  H2O                 'natural abundance'      . .  .  .          . .  95 . . %  . . . . 19036 1 
      7  D2O                 'natural abundance'      . .  .  .          . .   5 . . %  . . . . 19036 1 

   stop_

save_


save_sample_2
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_2
   _Sample.Entry_ID                         19036
   _Sample.ID                               2
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                  '95% H2O/5% D2O'
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

   loop_
      _Sample_component.ID
      _Sample_component.Mol_common_name
      _Sample_component.Isotopic_labeling
      _Sample_component.Assembly_ID
      _Sample_component.Assembly_label
      _Sample_component.Entity_ID
      _Sample_component.Entity_label
      _Sample_component.Product_ID
      _Sample_component.Type
      _Sample_component.Concentration_val
      _Sample_component.Concentration_val_min
      _Sample_component.Concentration_val_max
      _Sample_component.Concentration_val_units
      _Sample_component.Concentration_val_err
      _Sample_component.Vendor
      _Sample_component.Vendor_product_name
      _Sample_component.Vendor_product_code
      _Sample_component.Entry_ID
      _Sample_component.Sample_ID

      1  peptide             '[U-13C; U-15N]-Met,Val,Phe,Gly,Leu,Ala' . . 1 $calmodulin . . 700   . . uM . . . . 19036 2 
      2  calmodulin          'natural abundance'                      . . 2 $peptide    . . 700   . . uM . . . . 19036 2 
      3  MES                 'natural abundance'                      . .  .  .          . .  50   . . mM . . . . 19036 2 
      4 'potassium chloride' 'natural abundance'                      . .  .  .          . . 100   . . mM . . . . 19036 2 
      5 'CALCIUM ION'        'natural abundance'                      . . 4 $entity_CA  . .   3   . . mM . . . . 19036 2 
      6 'sodium azide'       'natural abundance'                      . .  .  .          . .    .1 . . %  . . . . 19036 2 
      7  H2O                 'natural abundance'                      . .  .  .          . .  95   . . %  . . . . 19036 2 
      8  D2O                 'natural abundance'                      . .  .  .          . .   5   . . %  . . . . 19036 2 

   stop_

save_


save_sample_3
   _Sample.Sf_category                      sample
   _Sample.Sf_framecode                     sample_3
   _Sample.Entry_ID                         19036
   _Sample.ID                               3
   _Sample.Type                             solution
   _Sample.Sub_type                         .
   _Sample.Details                          .
   _Sample.Aggregate_sample_number          .
   _Sample.Solvent_system                  '95% H2O/5% D2O'
   _Sample.Preparation_date                 .
   _Sample.Preparation_expiration_date      .
   _Sample.Polycrystallization_protocol     .
   _Sample.Single_crystal_protocol          .
   _Sample.Crystal_grow_apparatus           .
   _Sample.Crystal_grow_atmosphere          .
   _Sample.Crystal_grow_details             .
   _Sample.Crystal_grow_method              .
   _Sample.Crystal_grow_method_cit_ID       .
   _Sample.Crystal_grow_pH                  .
   _Sample.Crystal_grow_pH_range            .
   _Sample.Crystal_grow_pressure            .
   _Sample.Crystal_grow_pressure_esd        .
   _Sample.Crystal_grow_seeding             .
   _Sample.Crystal_grow_seeding_cit_ID      .
   _Sample.Crystal_grow_temp                .
   _Sample.Crystal_grow_temp_details        .
   _Sample.Crystal_grow_temp_esd            .
   _Sample.Crystal_grow_time                .
   _Sample.Oriented_sample_prep_protocol    .
   _Sample.Lyophilization_cryo_protectant   .
   _Sample.Storage_protocol                 .

   loop_
      _Sample_component.ID
      _Sample_component.Mol_common_name
      _Sample_component.Isotopic_labeling
      _Sample_component.Assembly_ID
      _Sample_component.Assembly_label
      _Sample_component.Entity_ID
      _Sample_component.Entity_label
      _Sample_component.Product_ID
      _Sample_component.Type
      _Sample_component.Concentration_val
      _Sample_component.Concentration_val_min
      _Sample_component.Concentration_val_max
      _Sample_component.Concentration_val_units
      _Sample_component.Concentration_val_err
      _Sample_component.Vendor
      _Sample_component.Vendor_product_name
      _Sample_component.Vendor_product_code
      _Sample_component.Entry_ID
      _Sample_component.Sample_ID

      1  calmodulin          '[U-99% 13C; U-99% 15N]' . . 1 $calmodulin . . 150 . . uM    . . . . 19036 3 
      2  peptide             'natural abundance'      . . 2 $peptide    . . 150 . . uM    . . . . 19036 3 
      3  MES                 'natural abundance'      . .  .  .          . .  50 . . mM    . . . . 19036 3 
      4 'potassium chloride' 'natural abundance'      . .  .  .          . . 100 . . mM    . . . . 19036 3 
      5 'CALCIUM ION'        'natural abundance'      . . 4 $entity_CA  . .   3 . . mM    . . . . 19036 3 
      6 'Pf1 phage'          'natural abundance'      . .  .  .          . .  10 . . mg/mL . . . . 19036 3 
      7  H2O                 'natural abundance'      . .  .  .          . .  95 . . %     . . . . 19036 3 
      8  D2O                 'natural abundance'      . .  .  .          . .   5 . . %     . . . . 19036 3 

   stop_

save_


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

save_sample_conditions_1
   _Sample_condition_list.Sf_category    sample_conditions
   _Sample_condition_list.Sf_framecode   sample_conditions_1
   _Sample_condition_list.Entry_ID       19036
   _Sample_condition_list.ID             1
   _Sample_condition_list.Details        .

   loop_
      _Sample_condition_variable.Type
      _Sample_condition_variable.Val
      _Sample_condition_variable.Val_err
      _Sample_condition_variable.Val_units
      _Sample_condition_variable.Entry_ID
      _Sample_condition_variable.Sample_condition_list_ID

      pH            6.36 . pH  19036 1 
      pressure      1    . atm 19036 1 
      temperature 310    . K   19036 1 

   stop_

save_


############################
#  Computer software used  #
############################

save_X-PLOR_NIH
   _Software.Sf_category    software
   _Software.Sf_framecode   X-PLOR_NIH
   _Software.Entry_ID       19036
   _Software.ID             1
   _Software.Name          'X-PLOR NIH'
   _Software.Version        .
   _Software.Details        .

   loop_
      _Vendor.Name
      _Vendor.Address
      _Vendor.Electronic_address
      _Vendor.Entry_ID
      _Vendor.Software_ID

      'Schwieters, Kuszewski, Tjandra and Clore' . . 19036 1 

   stop_

   loop_
      _Task.Task
      _Task.Entry_ID
      _Task.Software_ID

      'structure solution' 19036 1 

   stop_

save_


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

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

save_spectrometer_1
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     spectrometer_1
   _NMR_spectrometer.Entry_ID         19036
   _NMR_spectrometer.ID               1
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Bruker
   _NMR_spectrometer.Model            Avance
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   900

save_


save_spectrometer_2
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     spectrometer_2
   _NMR_spectrometer.Entry_ID         19036
   _NMR_spectrometer.ID               2
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Bruker
   _NMR_spectrometer.Model            Avance
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   800

save_


save_spectrometer_3
   _NMR_spectrometer.Sf_category      NMR_spectrometer
   _NMR_spectrometer.Sf_framecode     spectrometer_3
   _NMR_spectrometer.Entry_ID         19036
   _NMR_spectrometer.ID               3
   _NMR_spectrometer.Details          .
   _NMR_spectrometer.Manufacturer     Bruker
   _NMR_spectrometer.Model            Avance
   _NMR_spectrometer.Serial_number    .
   _NMR_spectrometer.Field_strength   600

save_


save_NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_category    NMR_spectrometer_list
   _NMR_spectrometer_list.Sf_framecode   NMR_spectrometer_list
   _NMR_spectrometer_list.Entry_ID       19036
   _NMR_spectrometer_list.ID             1

   loop_
      _NMR_spectrometer_view.ID
      _NMR_spectrometer_view.Name
      _NMR_spectrometer_view.Manufacturer
      _NMR_spectrometer_view.Model
      _NMR_spectrometer_view.Serial_number
      _NMR_spectrometer_view.Field_strength
      _NMR_spectrometer_view.Details
      _NMR_spectrometer_view.Citation_ID
      _NMR_spectrometer_view.Citation_label
      _NMR_spectrometer_view.Entry_ID
      _NMR_spectrometer_view.NMR_spectrometer_list_ID

      1 spectrometer_1 Bruker Avance . 900 . . . 19036 1 
      2 spectrometer_2 Bruker Avance . 800 . . . 19036 1 
      3 spectrometer_3 Bruker Avance . 600 . . . 19036 1 

   stop_

save_


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

save_experiment_list
   _Experiment_list.Sf_category    experiment_list
   _Experiment_list.Sf_framecode   experiment_list
   _Experiment_list.Entry_ID       19036
   _Experiment_list.ID             1
   _Experiment_list.Details        .

   loop_
      _Experiment.ID
      _Experiment.Name
      _Experiment.Raw_data_flag
      _Experiment.NMR_spec_expt_ID
      _Experiment.NMR_spec_expt_label
      _Experiment.MS_expt_ID
      _Experiment.MS_expt_label
      _Experiment.SAXS_expt_ID
      _Experiment.SAXS_expt_label
      _Experiment.FRET_expt_ID
      _Experiment.FRET_expt_label
      _Experiment.EMR_expt_ID
      _Experiment.EMR_expt_label
      _Experiment.Sample_ID
      _Experiment.Sample_label
      _Experiment.Sample_state
      _Experiment.Sample_volume
      _Experiment.Sample_volume_units
      _Experiment.Sample_condition_list_ID
      _Experiment.Sample_condition_list_label
      _Experiment.Sample_spinning_rate
      _Experiment.Sample_angle
      _Experiment.NMR_tube_type
      _Experiment.NMR_spectrometer_ID
      _Experiment.NMR_spectrometer_label
      _Experiment.NMR_spectrometer_probe_ID
      _Experiment.NMR_spectrometer_probe_label
      _Experiment.NMR_spectral_processing_ID
      _Experiment.NMR_spectral_processing_label
      _Experiment.Mass_spectrometer_ID
      _Experiment.Mass_spectrometer_label
      _Experiment.Xray_instrument_ID
      _Experiment.Xray_instrument_label
      _Experiment.Fluorescence_instrument_ID
      _Experiment.Fluorescence_instrument_label
      _Experiment.EMR_instrument_ID
      _Experiment.EMR_instrument_label
      _Experiment.Chromatographic_system_ID
      _Experiment.Chromatographic_system_label
      _Experiment.Chromatographic_column_ID
      _Experiment.Chromatographic_column_label
      _Experiment.Entry_ID
      _Experiment.Experiment_list_ID

       1 '3D 1H-15N NOESY'           no . . . . . . . . . . 1 $sample_1 isotropic   . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 
       2 '3D 1H-15N NOESY'           no . . . . . . . . . . 2 $sample_2 isotropic   . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 
       3 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic   . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19036 1 
       4 '2D 1H-13C HSQC aromatic'   no . . . . . . . . . . 1 $sample_1 isotropic   . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 
       5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic   . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19036 1 
       6 '3D 1H-13C NOESY aromatic'  no . . . . . . . . . . 2 $sample_2 isotropic   . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 
       7 '2D 1H-15N HSQC'            no . . . . . . . . . . 1 $sample_1 isotropic   . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 
       8 '2D 1H-15N HSQC'            no . . . . . . . . . . 2 $sample_2 isotropic   . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 
       9 '2D 1H-15N HSQC'            no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 
      10 '2D 1H-13C HSQC aliphatic'  no . . . . . . . . . . 1 $sample_1 isotropic   . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19036 1 
      11 '2D 1H-13C HSQC aromatic'   no . . . . . . . . . . 1 $sample_1 isotropic   . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 
      12 '2D 1H-13C HSQC aliphatic'  no . . . . . . . . . . 2 $sample_2 isotropic   . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19036 1 
      13 '2D 1H-13C HSQC aromatic'   no . . . . . . . . . . 2 $sample_2 isotropic   . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 
      14 '2D 1H-13C HSQC aliphatic'  no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19036 1 
      15 '3D CBCA(CO)NH'             no . . . . . . . . . . 1 $sample_1 isotropic   . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19036 1 

   stop_

save_


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

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

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

save_chemical_shift_reference_1
   _Chem_shift_reference.Sf_category    chem_shift_reference
   _Chem_shift_reference.Sf_framecode   chemical_shift_reference_1
   _Chem_shift_reference.Entry_ID       19036
   _Chem_shift_reference.ID             1
   _Chem_shift_reference.Details        .

   loop_
      _Chem_shift_ref.Atom_type
      _Chem_shift_ref.Atom_isotope_number
      _Chem_shift_ref.Mol_common_name
      _Chem_shift_ref.Atom_group
      _Chem_shift_ref.Concentration_val
      _Chem_shift_ref.Concentration_units
      _Chem_shift_ref.Solvent
      _Chem_shift_ref.Rank
      _Chem_shift_ref.Chem_shift_units
      _Chem_shift_ref.Chem_shift_val
      _Chem_shift_ref.Ref_method
      _Chem_shift_ref.Ref_type
      _Chem_shift_ref.Indirect_shift_ratio
      _Chem_shift_ref.External_ref_loc
      _Chem_shift_ref.External_ref_sample_geometry
      _Chem_shift_ref.External_ref_axis
      _Chem_shift_ref.Indirect_shift_ratio_cit_ID
      _Chem_shift_ref.Indirect_shift_ratio_cit_label
      _Chem_shift_ref.Ref_correction_type
      _Chem_shift_ref.Correction_val
      _Chem_shift_ref.Correction_val_cit_ID
      _Chem_shift_ref.Correction_val_cit_label
      _Chem_shift_ref.Entry_ID
      _Chem_shift_ref.Chem_shift_reference_ID

      C 13 water protons . . . . ppm 4.658 internal indirect 0.251449530 . . . . . . . . . 19036 1 
      H  1 water protons . . . . ppm 4.658 internal direct   1           . . . . . . . . . 19036 1 
      N 15 water protons . . . . ppm 4.658 internal indirect 0.101329118 . . . . . . . . . 19036 1 

   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_assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Sf_category                   assigned_chemical_shifts
   _Assigned_chem_shift_list.Sf_framecode                  assigned_chem_shift_list_1
   _Assigned_chem_shift_list.Entry_ID                      19036
   _Assigned_chem_shift_list.ID                            1
   _Assigned_chem_shift_list.Sample_condition_list_ID      1
   _Assigned_chem_shift_list.Sample_condition_list_label  $sample_conditions_1
   _Assigned_chem_shift_list.Chem_shift_reference_ID       1
   _Assigned_chem_shift_list.Chem_shift_reference_label   $chemical_shift_reference_1
   _Assigned_chem_shift_list.Chem_shift_1H_err             .
   _Assigned_chem_shift_list.Chem_shift_13C_err            .
   _Assigned_chem_shift_list.Chem_shift_15N_err            .
   _Assigned_chem_shift_list.Chem_shift_31P_err            .
   _Assigned_chem_shift_list.Chem_shift_2H_err             .
   _Assigned_chem_shift_list.Chem_shift_19F_err            .
   _Assigned_chem_shift_list.Error_derivation_method       .
   _Assigned_chem_shift_list.Details                       .
   _Assigned_chem_shift_list.Text_data_format              .
   _Assigned_chem_shift_list.Text_data                     .

   loop_
      _Chem_shift_experiment.Experiment_ID
      _Chem_shift_experiment.Experiment_name
      _Chem_shift_experiment.Sample_ID
      _Chem_shift_experiment.Sample_label
      _Chem_shift_experiment.Sample_state
      _Chem_shift_experiment.Entry_ID
      _Chem_shift_experiment.Assigned_chem_shift_list_ID

       1 '3D 1H-15N NOESY'           . . . 19036 1 
       2 '3D 1H-15N NOESY'           . . . 19036 1 
       3 '3D 1H-13C NOESY aliphatic' . . . 19036 1 
       4 '2D 1H-13C HSQC aromatic'   . . . 19036 1 
       5 '3D 1H-13C NOESY aliphatic' . . . 19036 1 
       6 '3D 1H-13C NOESY aromatic'  . . . 19036 1 
      15 '3D CBCA(CO)NH'             . . . 19036 1 

   stop_

   loop_
      _Atom_chem_shift.ID
      _Atom_chem_shift.Assembly_atom_ID
      _Atom_chem_shift.Entity_assembly_ID
      _Atom_chem_shift.Entity_ID
      _Atom_chem_shift.Comp_index_ID
      _Atom_chem_shift.Seq_ID
      _Atom_chem_shift.Comp_ID
      _Atom_chem_shift.Atom_ID
      _Atom_chem_shift.Atom_type
      _Atom_chem_shift.Atom_isotope_number
      _Atom_chem_shift.Val
      _Atom_chem_shift.Val_err
      _Atom_chem_shift.Assign_fig_of_merit
      _Atom_chem_shift.Ambiguity_code
      _Atom_chem_shift.Occupancy
      _Atom_chem_shift.Resonance_ID
      _Atom_chem_shift.Auth_entity_assembly_ID
      _Atom_chem_shift.Auth_asym_ID
      _Atom_chem_shift.Auth_seq_ID
      _Atom_chem_shift.Auth_comp_ID
      _Atom_chem_shift.Auth_atom_ID
      _Atom_chem_shift.Details
      _Atom_chem_shift.Entry_ID
      _Atom_chem_shift.Assigned_chem_shift_list_ID

        1 . 1 1   1   1 ALA HA  H  1   4.1174 0.03000 . 1 . . . A   1 ALA HA  . 19036 1 
        2 . 1 1   1   1 ALA CA  C 13  51.969  0.30000 . 1 . . . A   1 ALA CA  . 19036 1 
        3 . 1 1   1   1 ALA CB  C 13  19.449  0.30000 . 1 . . . A   1 ALA CB  . 19036 1 
        4 . 1 1   2   2 ASP HA  H  1   4.6536 0.03000 . 1 . . . A   2 ASP HA  . 19036 1 
        5 . 1 1   2   2 ASP CA  C 13  54.799  0.30000 . 1 . . . A   2 ASP CA  . 19036 1 
        6 . 1 1   2   2 ASP CB  C 13  41.496  0.30000 . 1 . . . A   2 ASP CB  . 19036 1 
        7 . 1 1   3   3 GLN H   H  1   8.3852 0.03000 . 1 . . . A   3 GLN H   . 19036 1 
        8 . 1 1   3   3 GLN HA  H  1   4.3995 0.03000 . 1 . . . A   3 GLN HA  . 19036 1 
        9 . 1 1   3   3 GLN CA  C 13  55.646  0.30000 . 1 . . . A   3 GLN CA  . 19036 1 
       10 . 1 1   3   3 GLN CB  C 13  29.996  0.30000 . 1 . . . A   3 GLN CB  . 19036 1 
       11 . 1 1   3   3 GLN N   N 15 119.90   0.30000 . 1 . . . A   3 GLN N   . 19036 1 
       12 . 1 1   4   4 LEU H   H  1   8.3513 0.03000 . 1 . . . A   4 LEU H   . 19036 1 
       13 . 1 1   4   4 LEU HA  H  1   4.6809 0.03000 . 1 . . . A   4 LEU HA  . 19036 1 
       14 . 1 1   4   4 LEU CA  C 13  54.516  0.30000 . 1 . . . A   4 LEU CA  . 19036 1 
       15 . 1 1   4   4 LEU CB  C 13  43.666  0.30000 . 1 . . . A   4 LEU CB  . 19036 1 
       16 . 1 1   4   4 LEU N   N 15 123.27   0.30000 . 1 . . . A   4 LEU N   . 19036 1 
       17 . 1 1   5   5 THR H   H  1   8.7638 0.03000 . 1 . . . A   5 THR H   . 19036 1 
       18 . 1 1   5   5 THR HA  H  1   4.4787 0.03000 . 1 . . . A   5 THR HA  . 19036 1 
       19 . 1 1   5   5 THR CA  C 13  60.553  0.30000 . 1 . . . A   5 THR CA  . 19036 1 
       20 . 1 1   5   5 THR CB  C 13  71.232  0.30000 . 1 . . . A   5 THR CB  . 19036 1 
       21 . 1 1   5   5 THR N   N 15 113.15   0.30000 . 1 . . . A   5 THR N   . 19036 1 
       22 . 1 1   6   6 GLU H   H  1   9.0660 0.03000 . 1 . . . A   6 GLU H   . 19036 1 
       23 . 1 1   6   6 GLU HA  H  1   3.9939 0.03000 . 1 . . . A   6 GLU HA  . 19036 1 
       24 . 1 1   6   6 GLU CA  C 13  60.091  0.30000 . 1 . . . A   6 GLU CA  . 19036 1 
       25 . 1 1   6   6 GLU CB  C 13  29.307  0.30000 . 1 . . . A   6 GLU CB  . 19036 1 
       26 . 1 1   6   6 GLU N   N 15 120.49   0.30000 . 1 . . . A   6 GLU N   . 19036 1 
       27 . 1 1   7   7 GLU H   H  1   8.7686 0.03000 . 1 . . . A   7 GLU H   . 19036 1 
       28 . 1 1   7   7 GLU HA  H  1   4.0806 0.03000 . 1 . . . A   7 GLU HA  . 19036 1 
       29 . 1 1   7   7 GLU CA  C 13  60.055  0.30000 . 1 . . . A   7 GLU CA  . 19036 1 
       30 . 1 1   7   7 GLU CB  C 13  29.194  0.30000 . 1 . . . A   7 GLU CB  . 19036 1 
       31 . 1 1   7   7 GLU N   N 15 119.64   0.30000 . 1 . . . A   7 GLU N   . 19036 1 
       32 . 1 1   8   8 GLN H   H  1   7.7793 0.03000 . 1 . . . A   8 GLN H   . 19036 1 
       33 . 1 1   8   8 GLN HA  H  1   3.8575 0.03000 . 1 . . . A   8 GLN HA  . 19036 1 
       34 . 1 1   8   8 GLN CA  C 13  58.691  0.30000 . 1 . . . A   8 GLN CA  . 19036 1 
       35 . 1 1   8   8 GLN CB  C 13  29.295  0.30000 . 1 . . . A   8 GLN CB  . 19036 1 
       36 . 1 1   8   8 GLN N   N 15 120.42   0.30000 . 1 . . . A   8 GLN N   . 19036 1 
       37 . 1 1   9   9 ILE H   H  1   8.3909 0.03000 . 1 . . . A   9 ILE H   . 19036 1 
       38 . 1 1   9   9 ILE HA  H  1   3.6985 0.03000 . 1 . . . A   9 ILE HA  . 19036 1 
       39 . 1 1   9   9 ILE CA  C 13  66.284  0.30000 . 1 . . . A   9 ILE CA  . 19036 1 
       40 . 1 1   9   9 ILE CB  C 13  37.882  0.30000 . 1 . . . A   9 ILE CB  . 19036 1 
       41 . 1 1   9   9 ILE N   N 15 119.53   0.30000 . 1 . . . A   9 ILE N   . 19036 1 
       42 . 1 1  10  10 ALA H   H  1   8.0404 0.03000 . 1 . . . A  10 ALA H   . 19036 1 
       43 . 1 1  10  10 ALA HA  H  1   4.1403 0.03000 . 1 . . . A  10 ALA HA  . 19036 1 
       44 . 1 1  10  10 ALA CA  C 13  55.569  0.30000 . 1 . . . A  10 ALA CA  . 19036 1 
       45 . 1 1  10  10 ALA CB  C 13  17.977  0.30000 . 1 . . . A  10 ALA CB  . 19036 1 
       46 . 1 1  10  10 ALA N   N 15 121.27   0.30000 . 1 . . . A  10 ALA N   . 19036 1 
       47 . 1 1  11  11 GLU H   H  1   7.8405 0.03000 . 1 . . . A  11 GLU H   . 19036 1 
       48 . 1 1  11  11 GLU HA  H  1   4.1593 0.03000 . 1 . . . A  11 GLU HA  . 19036 1 
       49 . 1 1  11  11 GLU CA  C 13  59.438  0.30000 . 1 . . . A  11 GLU CA  . 19036 1 
       50 . 1 1  11  11 GLU CB  C 13  29.098  0.30000 . 1 . . . A  11 GLU CB  . 19036 1 
       51 . 1 1  11  11 GLU N   N 15 119.83   0.30000 . 1 . . . A  11 GLU N   . 19036 1 
       52 . 1 1  12  12 PHE H   H  1   8.6406 0.03000 . 1 . . . A  12 PHE H   . 19036 1 
       53 . 1 1  12  12 PHE HA  H  1   5.0327 0.03000 . 1 . . . A  12 PHE HA  . 19036 1 
       54 . 1 1  12  12 PHE CA  C 13  59.113  0.30000 . 1 . . . A  12 PHE CA  . 19036 1 
       55 . 1 1  12  12 PHE CB  C 13  37.727  0.30000 . 1 . . . A  12 PHE CB  . 19036 1 
       56 . 1 1  12  12 PHE N   N 15 120.25   0.30000 . 1 . . . A  12 PHE N   . 19036 1 
       57 . 1 1  13  13 LYS H   H  1   9.2726 0.03000 . 1 . . . A  13 LYS H   . 19036 1 
       58 . 1 1  13  13 LYS HA  H  1   4.0379 0.03000 . 1 . . . A  13 LYS HA  . 19036 1 
       59 . 1 1  13  13 LYS CA  C 13  60.228  0.30000 . 1 . . . A  13 LYS CA  . 19036 1 
       60 . 1 1  13  13 LYS CB  C 13  32.020  0.30000 . 1 . . . A  13 LYS CB  . 19036 1 
       61 . 1 1  13  13 LYS N   N 15 123.68   0.30000 . 1 . . . A  13 LYS N   . 19036 1 
       62 . 1 1  14  14 GLU H   H  1   7.8735 0.03000 . 1 . . . A  14 GLU H   . 19036 1 
       63 . 1 1  14  14 GLU HA  H  1   4.1504 0.03000 . 1 . . . A  14 GLU HA  . 19036 1 
       64 . 1 1  14  14 GLU CA  C 13  59.283  0.30000 . 1 . . . A  14 GLU CA  . 19036 1 
       65 . 1 1  14  14 GLU CB  C 13  29.163  0.30000 . 1 . . . A  14 GLU CB  . 19036 1 
       66 . 1 1  14  14 GLU N   N 15 120.48   0.30000 . 1 . . . A  14 GLU N   . 19036 1 
       67 . 1 1  15  15 ALA H   H  1   8.0446 0.03000 . 1 . . . A  15 ALA H   . 19036 1 
       68 . 1 1  15  15 ALA HA  H  1   4.2849 0.03000 . 1 . . . A  15 ALA HA  . 19036 1 
       69 . 1 1  15  15 ALA CA  C 13  55.370  0.30000 . 1 . . . A  15 ALA CA  . 19036 1 
       70 . 1 1  15  15 ALA CB  C 13  18.190  0.30000 . 1 . . . A  15 ALA CB  . 19036 1 
       71 . 1 1  15  15 ALA N   N 15 122.59   0.30000 . 1 . . . A  15 ALA N   . 19036 1 
       72 . 1 1  16  16 PHE H   H  1   8.8043 0.03000 . 1 . . . A  16 PHE H   . 19036 1 
       73 . 1 1  16  16 PHE HA  H  1   3.3140 0.03000 . 1 . . . A  16 PHE HA  . 19036 1 
       74 . 1 1  16  16 PHE CA  C 13  62.091  0.30000 . 1 . . . A  16 PHE CA  . 19036 1 
       75 . 1 1  16  16 PHE CB  C 13  39.813  0.30000 . 1 . . . A  16 PHE CB  . 19036 1 
       76 . 1 1  16  16 PHE N   N 15 119.11   0.30000 . 1 . . . A  16 PHE N   . 19036 1 
       77 . 1 1  17  17 SER H   H  1   8.0830 0.03000 . 1 . . . A  17 SER H   . 19036 1 
       78 . 1 1  17  17 SER HA  H  1   4.1393 0.03000 . 1 . . . A  17 SER HA  . 19036 1 
       79 . 1 1  17  17 SER CA  C 13  61.542  0.30000 . 1 . . . A  17 SER CA  . 19036 1 
       80 . 1 1  17  17 SER CB  C 13  63.424  0.30000 . 1 . . . A  17 SER CB  . 19036 1 
       81 . 1 1  17  17 SER N   N 15 113.20   0.30000 . 1 . . . A  17 SER N   . 19036 1 
       82 . 1 1  18  18 LEU H   H  1   7.4364 0.03000 . 1 . . . A  18 LEU H   . 19036 1 
       83 . 1 1  18  18 LEU HA  H  1   3.9811 0.03000 . 1 . . . A  18 LEU HA  . 19036 1 
       84 . 1 1  18  18 LEU CA  C 13  57.258  0.30000 . 1 . . . A  18 LEU CA  . 19036 1 
       85 . 1 1  18  18 LEU CB  C 13  41.565  0.30000 . 1 . . . A  18 LEU CB  . 19036 1 
       86 . 1 1  18  18 LEU N   N 15 120.84   0.30000 . 1 . . . A  18 LEU N   . 19036 1 
       87 . 1 1  19  19 PHE H   H  1   7.1800 0.03000 . 1 . . . A  19 PHE H   . 19036 1 
       88 . 1 1  19  19 PHE HA  H  1   4.2369 0.03000 . 1 . . . A  19 PHE HA  . 19036 1 
       89 . 1 1  19  19 PHE CA  C 13  59.258  0.30000 . 1 . . . A  19 PHE CA  . 19036 1 
       90 . 1 1  19  19 PHE CB  C 13  41.732  0.30000 . 1 . . . A  19 PHE CB  . 19036 1 
       91 . 1 1  19  19 PHE N   N 15 114.02   0.30000 . 1 . . . A  19 PHE N   . 19036 1 
       92 . 1 1  20  20 ASP H   H  1   7.8441 0.03000 . 1 . . . A  20 ASP H   . 19036 1 
       93 . 1 1  20  20 ASP HA  H  1   4.5792 0.03000 . 1 . . . A  20 ASP HA  . 19036 1 
       94 . 1 1  20  20 ASP CA  C 13  52.295  0.30000 . 1 . . . A  20 ASP CA  . 19036 1 
       95 . 1 1  20  20 ASP CB  C 13  39.167  0.30000 . 1 . . . A  20 ASP CB  . 19036 1 
       96 . 1 1  20  20 ASP N   N 15 117.44   0.30000 . 1 . . . A  20 ASP N   . 19036 1 
       97 . 1 1  21  21 LYS H   H  1   7.7282 0.03000 . 1 . . . A  21 LYS H   . 19036 1 
       98 . 1 1  21  21 LYS HA  H  1   3.9904 0.03000 . 1 . . . A  21 LYS HA  . 19036 1 
       99 . 1 1  21  21 LYS CA  C 13  58.379  0.30000 . 1 . . . A  21 LYS CA  . 19036 1 
      100 . 1 1  21  21 LYS CB  C 13  32.623  0.30000 . 1 . . . A  21 LYS CB  . 19036 1 
      101 . 1 1  21  21 LYS N   N 15 124.41   0.30000 . 1 . . . A  21 LYS N   . 19036 1 
      102 . 1 1  22  22 ASP H   H  1   8.0947 0.03000 . 1 . . . A  22 ASP H   . 19036 1 
      103 . 1 1  22  22 ASP HA  H  1   4.6254 0.03000 . 1 . . . A  22 ASP HA  . 19036 1 
      104 . 1 1  22  22 ASP CA  C 13  52.921  0.30000 . 1 . . . A  22 ASP CA  . 19036 1 
      105 . 1 1  22  22 ASP CB  C 13  39.728  0.30000 . 1 . . . A  22 ASP CB  . 19036 1 
      106 . 1 1  22  22 ASP N   N 15 114.06   0.30000 . 1 . . . A  22 ASP N   . 19036 1 
      107 . 1 1  23  23 GLY H   H  1   7.7171 0.03000 . 1 . . . A  23 GLY H   . 19036 1 
      108 . 1 1  23  23 GLY HA2 H  1   3.8200 0.03000 . 2 . . . A  23 GLY HA2 . 19036 1 
      109 . 1 1  23  23 GLY HA3 H  1   3.8739 0.03000 . 2 . . . A  23 GLY HA3 . 19036 1 
      110 . 1 1  23  23 GLY CA  C 13  47.250  0.30000 . 1 . . . A  23 GLY CA  . 19036 1 
      111 . 1 1  23  23 GLY N   N 15 109.39   0.30000 . 1 . . . A  23 GLY N   . 19036 1 
      112 . 1 1  24  24 ASP H   H  1   8.4720 0.03000 . 1 . . . A  24 ASP H   . 19036 1 
      113 . 1 1  24  24 ASP HA  H  1   4.5643 0.03000 . 1 . . . A  24 ASP HA  . 19036 1 
      114 . 1 1  24  24 ASP CA  C 13  53.918  0.30000 . 1 . . . A  24 ASP CA  . 19036 1 
      115 . 1 1  24  24 ASP CB  C 13  40.569  0.30000 . 1 . . . A  24 ASP CB  . 19036 1 
      116 . 1 1  24  24 ASP N   N 15 120.86   0.30000 . 1 . . . A  24 ASP N   . 19036 1 
      117 . 1 1  25  25 GLY H   H  1  10.619  0.03000 . 1 . . . A  25 GLY H   . 19036 1 
      118 . 1 1  25  25 GLY HA2 H  1   3.7280 0.03000 . 2 . . . A  25 GLY HA2 . 19036 1 
      119 . 1 1  25  25 GLY HA3 H  1   4.3918 0.03000 . 2 . . . A  25 GLY HA3 . 19036 1 
      120 . 1 1  25  25 GLY CA  C 13  45.542  0.30000 . 1 . . . A  25 GLY CA  . 19036 1 
      121 . 1 1  25  25 GLY N   N 15 113.09   0.30000 . 1 . . . A  25 GLY N   . 19036 1 
      122 . 1 1  26  26 THR H   H  1   8.2108 0.03000 . 1 . . . A  26 THR H   . 19036 1 
      123 . 1 1  26  26 THR HA  H  1   5.3910 0.03000 . 1 . . . A  26 THR HA  . 19036 1 
      124 . 1 1  26  26 THR CA  C 13  59.883  0.30000 . 1 . . . A  26 THR CA  . 19036 1 
      125 . 1 1  26  26 THR CB  C 13  72.786  0.30000 . 1 . . . A  26 THR CB  . 19036 1 
      126 . 1 1  26  26 THR N   N 15 112.60   0.30000 . 1 . . . A  26 THR N   . 19036 1 
      127 . 1 1  27  27 ILE H   H  1   9.8758 0.03000 . 1 . . . A  27 ILE H   . 19036 1 
      128 . 1 1  27  27 ILE HA  H  1   4.8948 0.03000 . 1 . . . A  27 ILE HA  . 19036 1 
      129 . 1 1  27  27 ILE CA  C 13  60.856  0.30000 . 1 . . . A  27 ILE CA  . 19036 1 
      130 . 1 1  27  27 ILE CB  C 13  39.926  0.30000 . 1 . . . A  27 ILE CB  . 19036 1 
      131 . 1 1  27  27 ILE N   N 15 126.83   0.30000 . 1 . . . A  27 ILE N   . 19036 1 
      132 . 1 1  28  28 THR H   H  1   8.4393 0.03000 . 1 . . . A  28 THR H   . 19036 1 
      133 . 1 1  28  28 THR HA  H  1   4.8111 0.03000 . 1 . . . A  28 THR HA  . 19036 1 
      134 . 1 1  28  28 THR CA  C 13  59.216  0.30000 . 1 . . . A  28 THR CA  . 19036 1 
      135 . 1 1  28  28 THR CB  C 13  72.541  0.30000 . 1 . . . A  28 THR CB  . 19036 1 
      136 . 1 1  28  28 THR N   N 15 116.50   0.30000 . 1 . . . A  28 THR N   . 19036 1 
      137 . 1 1  29  29 THR H   H  1   9.2381 0.03000 . 1 . . . A  29 THR H   . 19036 1 
      138 . 1 1  29  29 THR HA  H  1   3.8072 0.03000 . 1 . . . A  29 THR HA  . 19036 1 
      139 . 1 1  29  29 THR CA  C 13  66.516  0.30000 . 1 . . . A  29 THR CA  . 19036 1 
      140 . 1 1  29  29 THR CB  C 13  68.018  0.30000 . 1 . . . A  29 THR CB  . 19036 1 
      141 . 1 1  29  29 THR N   N 15 112.85   0.30000 . 1 . . . A  29 THR N   . 19036 1 
      142 . 1 1  30  30 LYS H   H  1   7.6883 0.03000 . 1 . . . A  30 LYS H   . 19036 1 
      143 . 1 1  30  30 LYS HA  H  1   4.1705 0.03000 . 1 . . . A  30 LYS HA  . 19036 1 
      144 . 1 1  30  30 LYS CA  C 13  59.377  0.30000 . 1 . . . A  30 LYS CA  . 19036 1 
      145 . 1 1  30  30 LYS CB  C 13  32.823  0.30000 . 1 . . . A  30 LYS CB  . 19036 1 
      146 . 1 1  30  30 LYS N   N 15 121.13   0.30000 . 1 . . . A  30 LYS N   . 19036 1 
      147 . 1 1  31  31 GLU H   H  1   7.7829 0.03000 . 1 . . . A  31 GLU H   . 19036 1 
      148 . 1 1  31  31 GLU HA  H  1   4.0621 0.03000 . 1 . . . A  31 GLU HA  . 19036 1 
      149 . 1 1  31  31 GLU CA  C 13  59.579  0.30000 . 1 . . . A  31 GLU CA  . 19036 1 
      150 . 1 1  31  31 GLU CB  C 13  29.837  0.30000 . 1 . . . A  31 GLU CB  . 19036 1 
      151 . 1 1  31  31 GLU N   N 15 121.92   0.30000 . 1 . . . A  31 GLU N   . 19036 1 
      152 . 1 1  32  32 LEU H   H  1   8.7049 0.03000 . 1 . . . A  32 LEU H   . 19036 1 
      153 . 1 1  32  32 LEU HA  H  1   4.1452 0.03000 . 1 . . . A  32 LEU HA  . 19036 1 
      154 . 1 1  32  32 LEU CA  C 13  58.321  0.30000 . 1 . . . A  32 LEU CA  . 19036 1 
      155 . 1 1  32  32 LEU CB  C 13  42.697  0.30000 . 1 . . . A  32 LEU CB  . 19036 1 
      156 . 1 1  32  32 LEU N   N 15 120.57   0.30000 . 1 . . . A  32 LEU N   . 19036 1 
      157 . 1 1  33  33 GLY H   H  1   8.7527 0.03000 . 1 . . . A  33 GLY H   . 19036 1 
      158 . 1 1  33  33 GLY HA2 H  1   3.5920 0.03000 . 2 . . . A  33 GLY HA2 . 19036 1 
      159 . 1 1  33  33 GLY HA3 H  1   3.9954 0.03000 . 2 . . . A  33 GLY HA3 . 19036 1 
      160 . 1 1  33  33 GLY N   N 15 105.72   0.30000 . 1 . . . A  33 GLY N   . 19036 1 
      161 . 1 1  34  34 THR H   H  1   8.0712 0.03000 . 1 . . . A  34 THR H   . 19036 1 
      162 . 1 1  34  34 THR HA  H  1   3.9608 0.03000 . 1 . . . A  34 THR HA  . 19036 1 
      163 . 1 1  34  34 THR CA  C 13  67.097  0.30000 . 1 . . . A  34 THR CA  . 19036 1 
      164 . 1 1  34  34 THR CB  C 13  68.869  0.30000 . 1 . . . A  34 THR CB  . 19036 1 
      165 . 1 1  34  34 THR N   N 15 118.37   0.30000 . 1 . . . A  34 THR N   . 19036 1 
      166 . 1 1  35  35 VAL H   H  1   7.7378 0.03000 . 1 . . . A  35 VAL H   . 19036 1 
      167 . 1 1  35  35 VAL HA  H  1   3.6085 0.03000 . 1 . . . A  35 VAL HA  . 19036 1 
      168 . 1 1  35  35 VAL CA  C 13  66.538  0.30000 . 1 . . . A  35 VAL CA  . 19036 1 
      169 . 1 1  35  35 VAL CB  C 13  31.589  0.30000 . 1 . . . A  35 VAL CB  . 19036 1 
      170 . 1 1  35  35 VAL N   N 15 122.17   0.30000 . 1 . . . A  35 VAL N   . 19036 1 
      171 . 1 1  36  36 MET H   H  1   8.5586 0.03000 . 1 . . . A  36 MET H   . 19036 1 
      172 . 1 1  36  36 MET HA  H  1   4.0426 0.03000 . 1 . . . A  36 MET HA  . 19036 1 
      173 . 1 1  36  36 MET CA  C 13  59.594  0.30000 . 1 . . . A  36 MET CA  . 19036 1 
      174 . 1 1  36  36 MET CB  C 13  31.850  0.30000 . 1 . . . A  36 MET CB  . 19036 1 
      175 . 1 1  36  36 MET N   N 15 118.62   0.30000 . 1 . . . A  36 MET N   . 19036 1 
      176 . 1 1  37  37 ARG H   H  1   8.6382 0.03000 . 1 . . . A  37 ARG H   . 19036 1 
      177 . 1 1  37  37 ARG HA  H  1   4.7976 0.03000 . 1 . . . A  37 ARG HA  . 19036 1 
      178 . 1 1  37  37 ARG CA  C 13  59.518  0.30000 . 1 . . . A  37 ARG CA  . 19036 1 
      179 . 1 1  37  37 ARG CB  C 13  30.189  0.30000 . 1 . . . A  37 ARG CB  . 19036 1 
      180 . 1 1  37  37 ARG N   N 15 118.92   0.30000 . 1 . . . A  37 ARG N   . 19036 1 
      181 . 1 1  38  38 SER H   H  1   7.9943 0.03000 . 1 . . . A  38 SER H   . 19036 1 
      182 . 1 1  38  38 SER HA  H  1   4.4196 0.03000 . 1 . . . A  38 SER HA  . 19036 1 
      183 . 1 1  38  38 SER CA  C 13  61.682  0.30000 . 1 . . . A  38 SER CA  . 19036 1 
      184 . 1 1  38  38 SER CB  C 13  62.890  0.30000 . 1 . . . A  38 SER CB  . 19036 1 
      185 . 1 1  38  38 SER N   N 15 119.00   0.30000 . 1 . . . A  38 SER N   . 19036 1 
      186 . 1 1  39  39 LEU H   H  1   7.4259 0.03000 . 1 . . . A  39 LEU H   . 19036 1 
      187 . 1 1  39  39 LEU HA  H  1   4.4984 0.03000 . 1 . . . A  39 LEU HA  . 19036 1 
      188 . 1 1  39  39 LEU CA  C 13  54.405  0.30000 . 1 . . . A  39 LEU CA  . 19036 1 
      189 . 1 1  39  39 LEU CB  C 13  41.979  0.30000 . 1 . . . A  39 LEU CB  . 19036 1 
      190 . 1 1  39  39 LEU N   N 15 120.79   0.30000 . 1 . . . A  39 LEU N   . 19036 1 
      191 . 1 1  40  40 GLY H   H  1   7.8959 0.03000 . 1 . . . A  40 GLY H   . 19036 1 
      192 . 1 1  40  40 GLY HA2 H  1   3.8150 0.03000 . 2 . . . A  40 GLY HA2 . 19036 1 
      193 . 1 1  40  40 GLY HA3 H  1   4.2871 0.03000 . 2 . . . A  40 GLY HA3 . 19036 1 
      194 . 1 1  40  40 GLY CA  C 13  45.713  0.30000 . 1 . . . A  40 GLY CA  . 19036 1 
      195 . 1 1  40  40 GLY N   N 15 106.83   0.30000 . 1 . . . A  40 GLY N   . 19036 1 
      196 . 1 1  41  41 GLN H   H  1   7.8650 0.03000 . 1 . . . A  41 GLN H   . 19036 1 
      197 . 1 1  41  41 GLN HA  H  1   4.5035 0.03000 . 1 . . . A  41 GLN HA  . 19036 1 
      198 . 1 1  41  41 GLN CA  C 13  54.585  0.30000 . 1 . . . A  41 GLN CA  . 19036 1 
      199 . 1 1  41  41 GLN CB  C 13  30.591  0.30000 . 1 . . . A  41 GLN CB  . 19036 1 
      200 . 1 1  41  41 GLN N   N 15 118.33   0.30000 . 1 . . . A  41 GLN N   . 19036 1 
      201 . 1 1  42  42 ASN H   H  1   8.7714 0.03000 . 1 . . . A  42 ASN H   . 19036 1 
      202 . 1 1  42  42 ASN HA  H  1   5.2136 0.03000 . 1 . . . A  42 ASN HA  . 19036 1 
      203 . 1 1  42  42 ASN CA  C 13  51.351  0.30000 . 1 . . . A  42 ASN CA  . 19036 1 
      204 . 1 1  42  42 ASN CB  C 13  39.402  0.30000 . 1 . . . A  42 ASN CB  . 19036 1 
      205 . 1 1  42  42 ASN N   N 15 116.49   0.30000 . 1 . . . A  42 ASN N   . 19036 1 
      206 . 1 1  43  43 PRO HA  H  1   4.7794 0.03000 . 1 . . . A  43 PRO HA  . 19036 1 
      207 . 1 1  43  43 PRO CA  C 13  62.475  0.30000 . 1 . . . A  43 PRO CA  . 19036 1 
      208 . 1 1  43  43 PRO CB  C 13  32.084  0.30000 . 1 . . . A  43 PRO CB  . 19036 1 
      209 . 1 1  44  44 THR H   H  1   8.8084 0.03000 . 1 . . . A  44 THR H   . 19036 1 
      210 . 1 1  44  44 THR HA  H  1   4.4870 0.03000 . 1 . . . A  44 THR HA  . 19036 1 
      211 . 1 1  44  44 THR CA  C 13  60.565  0.30000 . 1 . . . A  44 THR CA  . 19036 1 
      212 . 1 1  44  44 THR CB  C 13  71.260  0.30000 . 1 . . . A  44 THR CB  . 19036 1 
      213 . 1 1  44  44 THR N   N 15 113.05   0.30000 . 1 . . . A  44 THR N   . 19036 1 
      214 . 1 1  45  45 GLU H   H  1   8.8423 0.03000 . 1 . . . A  45 GLU H   . 19036 1 
      215 . 1 1  45  45 GLU HA  H  1   4.0011 0.03000 . 1 . . . A  45 GLU HA  . 19036 1 
      216 . 1 1  45  45 GLU CA  C 13  60.082  0.30000 . 1 . . . A  45 GLU CA  . 19036 1 
      217 . 1 1  45  45 GLU CB  C 13  29.129  0.30000 . 1 . . . A  45 GLU CB  . 19036 1 
      218 . 1 1  45  45 GLU N   N 15 120.70   0.30000 . 1 . . . A  45 GLU N   . 19036 1 
      219 . 1 1  46  46 ALA H   H  1   8.3052 0.03000 . 1 . . . A  46 ALA H   . 19036 1 
      220 . 1 1  46  46 ALA HA  H  1   4.1246 0.03000 . 1 . . . A  46 ALA HA  . 19036 1 
      221 . 1 1  46  46 ALA CA  C 13  55.125  0.30000 . 1 . . . A  46 ALA CA  . 19036 1 
      222 . 1 1  46  46 ALA CB  C 13  18.342  0.30000 . 1 . . . A  46 ALA CB  . 19036 1 
      223 . 1 1  46  46 ALA N   N 15 120.88   0.30000 . 1 . . . A  46 ALA N   . 19036 1 
      224 . 1 1  47  47 GLU H   H  1   7.7362 0.03000 . 1 . . . A  47 GLU H   . 19036 1 
      225 . 1 1  47  47 GLU HA  H  1   4.0404 0.03000 . 1 . . . A  47 GLU HA  . 19036 1 
      226 . 1 1  47  47 GLU CA  C 13  59.144  0.30000 . 1 . . . A  47 GLU CA  . 19036 1 
      227 . 1 1  47  47 GLU CB  C 13  29.886  0.30000 . 1 . . . A  47 GLU CB  . 19036 1 
      228 . 1 1  47  47 GLU N   N 15 118.78   0.30000 . 1 . . . A  47 GLU N   . 19036 1 
      229 . 1 1  48  48 LEU H   H  1   8.1690 0.03000 . 1 . . . A  48 LEU H   . 19036 1 
      230 . 1 1  48  48 LEU HA  H  1   4.0789 0.03000 . 1 . . . A  48 LEU HA  . 19036 1 
      231 . 1 1  48  48 LEU CA  C 13  57.955  0.30000 . 1 . . . A  48 LEU CA  . 19036 1 
      232 . 1 1  48  48 LEU CB  C 13  42.516  0.30000 . 1 . . . A  48 LEU CB  . 19036 1 
      233 . 1 1  48  48 LEU N   N 15 120.12   0.30000 . 1 . . . A  48 LEU N   . 19036 1 
      234 . 1 1  49  49 GLN H   H  1   8.2352 0.03000 . 1 . . . A  49 GLN H   . 19036 1 
      235 . 1 1  49  49 GLN HA  H  1   3.8492 0.03000 . 1 . . . A  49 GLN HA  . 19036 1 
      236 . 1 1  49  49 GLN CA  C 13  58.676  0.30000 . 1 . . . A  49 GLN CA  . 19036 1 
      237 . 1 1  49  49 GLN CB  C 13  28.341  0.30000 . 1 . . . A  49 GLN CB  . 19036 1 
      238 . 1 1  49  49 GLN N   N 15 118.39   0.30000 . 1 . . . A  49 GLN N   . 19036 1 
      239 . 1 1  50  50 ASP H   H  1   8.1641 0.03000 . 1 . . . A  50 ASP H   . 19036 1 
      240 . 1 1  50  50 ASP HA  H  1   4.4386 0.03000 . 1 . . . A  50 ASP HA  . 19036 1 
      241 . 1 1  50  50 ASP CA  C 13  57.643  0.30000 . 1 . . . A  50 ASP CA  . 19036 1 
      242 . 1 1  50  50 ASP CB  C 13  40.366  0.30000 . 1 . . . A  50 ASP CB  . 19036 1 
      243 . 1 1  50  50 ASP N   N 15 120.09   0.30000 . 1 . . . A  50 ASP N   . 19036 1 
      244 . 1 1  51  51 MET H   H  1   7.9085 0.03000 . 1 . . . A  51 MET H   . 19036 1 
      245 . 1 1  51  51 MET HA  H  1   4.0208 0.03000 . 1 . . . A  51 MET HA  . 19036 1 
      246 . 1 1  51  51 MET CA  C 13  59.332  0.30000 . 1 . . . A  51 MET CA  . 19036 1 
      247 . 1 1  51  51 MET CB  C 13  33.713  0.30000 . 1 . . . A  51 MET CB  . 19036 1 
      248 . 1 1  51  51 MET N   N 15 119.33   0.30000 . 1 . . . A  51 MET N   . 19036 1 
      249 . 1 1  52  52 ILE H   H  1   7.7667 0.03000 . 1 . . . A  52 ILE H   . 19036 1 
      250 . 1 1  52  52 ILE HA  H  1   3.5813 0.03000 . 1 . . . A  52 ILE HA  . 19036 1 
      251 . 1 1  52  52 ILE CA  C 13  64.476  0.30000 . 1 . . . A  52 ILE CA  . 19036 1 
      252 . 1 1  52  52 ILE CB  C 13  37.177  0.30000 . 1 . . . A  52 ILE CB  . 19036 1 
      253 . 1 1  52  52 ILE N   N 15 118.08   0.30000 . 1 . . . A  52 ILE N   . 19036 1 
      254 . 1 1  53  53 ASN H   H  1   8.6690 0.03000 . 1 . . . A  53 ASN H   . 19036 1 
      255 . 1 1  53  53 ASN HA  H  1   4.4168 0.03000 . 1 . . . A  53 ASN HA  . 19036 1 
      256 . 1 1  53  53 ASN CA  C 13  55.988  0.30000 . 1 . . . A  53 ASN CA  . 19036 1 
      257 . 1 1  53  53 ASN CB  C 13  38.211  0.30000 . 1 . . . A  53 ASN CB  . 19036 1 
      258 . 1 1  53  53 ASN N   N 15 117.98   0.30000 . 1 . . . A  53 ASN N   . 19036 1 
      259 . 1 1  54  54 GLU H   H  1   7.5658 0.03000 . 1 . . . A  54 GLU H   . 19036 1 
      260 . 1 1  54  54 GLU HA  H  1   4.0662 0.03000 . 1 . . . A  54 GLU HA  . 19036 1 
      261 . 1 1  54  54 GLU CA  C 13  58.930  0.30000 . 1 . . . A  54 GLU CA  . 19036 1 
      262 . 1 1  54  54 GLU CB  C 13  30.404  0.30000 . 1 . . . A  54 GLU CB  . 19036 1 
      263 . 1 1  54  54 GLU N   N 15 116.35   0.30000 . 1 . . . A  54 GLU N   . 19036 1 
      264 . 1 1  55  55 VAL H   H  1   7.2424 0.03000 . 1 . . . A  55 VAL H   . 19036 1 
      265 . 1 1  55  55 VAL HA  H  1   4.3661 0.03000 . 1 . . . A  55 VAL HA  . 19036 1 
      266 . 1 1  55  55 VAL CA  C 13  61.089  0.30000 . 1 . . . A  55 VAL CA  . 19036 1 
      267 . 1 1  55  55 VAL CB  C 13  33.088  0.30000 . 1 . . . A  55 VAL CB  . 19036 1 
      268 . 1 1  55  55 VAL N   N 15 110.52   0.30000 . 1 . . . A  55 VAL N   . 19036 1 
      269 . 1 1  56  56 ASP H   H  1   7.7494 0.03000 . 1 . . . A  56 ASP H   . 19036 1 
      270 . 1 1  56  56 ASP HA  H  1   4.5820 0.03000 . 1 . . . A  56 ASP HA  . 19036 1 
      271 . 1 1  56  56 ASP CA  C 13  53.916  0.30000 . 1 . . . A  56 ASP CA  . 19036 1 
      272 . 1 1  56  56 ASP CB  C 13  40.588  0.30000 . 1 . . . A  56 ASP CB  . 19036 1 
      273 . 1 1  56  56 ASP N   N 15 121.39   0.30000 . 1 . . . A  56 ASP N   . 19036 1 
      274 . 1 1  57  57 ALA H   H  1   8.3233 0.03000 . 1 . . . A  57 ALA H   . 19036 1 
      275 . 1 1  57  57 ALA HA  H  1   4.2472 0.03000 . 1 . . . A  57 ALA HA  . 19036 1 
      276 . 1 1  57  57 ALA CA  C 13  54.341  0.30000 . 1 . . . A  57 ALA CA  . 19036 1 
      277 . 1 1  57  57 ALA CB  C 13  19.800  0.30000 . 1 . . . A  57 ALA CB  . 19036 1 
      278 . 1 1  57  57 ALA N   N 15 131.64   0.30000 . 1 . . . A  57 ALA N   . 19036 1 
      279 . 1 1  58  58 ASP H   H  1   8.2403 0.03000 . 1 . . . A  58 ASP H   . 19036 1 
      280 . 1 1  58  58 ASP HA  H  1   4.6818 0.03000 . 1 . . . A  58 ASP HA  . 19036 1 
      281 . 1 1  58  58 ASP CA  C 13  52.705  0.30000 . 1 . . . A  58 ASP CA  . 19036 1 
      282 . 1 1  58  58 ASP CB  C 13  39.931  0.30000 . 1 . . . A  58 ASP CB  . 19036 1 
      283 . 1 1  58  58 ASP N   N 15 114.00   0.30000 . 1 . . . A  58 ASP N   . 19036 1 
      284 . 1 1  59  59 GLY H   H  1   7.6346 0.03000 . 1 . . . A  59 GLY H   . 19036 1 
      285 . 1 1  59  59 GLY HA2 H  1   3.9200 0.03000 . 2 . . . A  59 GLY HA2 . 19036 1 
      286 . 1 1  59  59 GLY HA3 H  1   3.9214 0.03000 . 2 . . . A  59 GLY HA3 . 19036 1 
      287 . 1 1  59  59 GLY CA  C 13  47.306  0.30000 . 1 . . . A  59 GLY CA  . 19036 1 
      288 . 1 1  59  59 GLY N   N 15 108.66   0.30000 . 1 . . . A  59 GLY N   . 19036 1 
      289 . 1 1  60  60 ASN H   H  1   8.1842 0.03000 . 1 . . . A  60 ASN H   . 19036 1 
      290 . 1 1  60  60 ASN HA  H  1   4.6581 0.03000 . 1 . . . A  60 ASN HA  . 19036 1 
      291 . 1 1  60  60 ASN CA  C 13  52.805  0.30000 . 1 . . . A  60 ASN CA  . 19036 1 
      292 . 1 1  60  60 ASN CB  C 13  37.716  0.30000 . 1 . . . A  60 ASN CB  . 19036 1 
      293 . 1 1  60  60 ASN N   N 15 118.73   0.30000 . 1 . . . A  60 ASN N   . 19036 1 
      294 . 1 1  61  61 GLY H   H  1  10.605  0.03000 . 1 . . . A  61 GLY H   . 19036 1 
      295 . 1 1  61  61 GLY HA2 H  1   3.5200 0.03000 . 2 . . . A  61 GLY HA2 . 19036 1 
      296 . 1 1  61  61 GLY HA3 H  1   4.2444 0.03000 . 2 . . . A  61 GLY HA3 . 19036 1 
      297 . 1 1  61  61 GLY CA  C 13  45.753  0.30000 . 1 . . . A  61 GLY CA  . 19036 1 
      298 . 1 1  61  61 GLY N   N 15 113.43   0.30000 . 1 . . . A  61 GLY N   . 19036 1 
      299 . 1 1  62  62 THR H   H  1   7.6990 0.03000 . 1 . . . A  62 THR H   . 19036 1 
      300 . 1 1  62  62 THR HA  H  1   4.8743 0.03000 . 1 . . . A  62 THR HA  . 19036 1 
      301 . 1 1  62  62 THR CA  C 13  59.541  0.30000 . 1 . . . A  62 THR CA  . 19036 1 
      302 . 1 1  62  62 THR CB  C 13  72.168  0.30000 . 1 . . . A  62 THR CB  . 19036 1 
      303 . 1 1  62  62 THR N   N 15 108.75   0.30000 . 1 . . . A  62 THR N   . 19036 1 
      304 . 1 1  63  63 ILE H   H  1   8.8231 0.03000 . 1 . . . A  63 ILE H   . 19036 1 
      305 . 1 1  63  63 ILE HA  H  1   5.1598 0.03000 . 1 . . . A  63 ILE HA  . 19036 1 
      306 . 1 1  63  63 ILE CA  C 13  59.959  0.30000 . 1 . . . A  63 ILE CA  . 19036 1 
      307 . 1 1  63  63 ILE CB  C 13  39.836  0.30000 . 1 . . . A  63 ILE CB  . 19036 1 
      308 . 1 1  63  63 ILE N   N 15 123.51   0.30000 . 1 . . . A  63 ILE N   . 19036 1 
      309 . 1 1  64  64 ASP H   H  1   8.9464 0.03000 . 1 . . . A  64 ASP H   . 19036 1 
      310 . 1 1  64  64 ASP HA  H  1   5.4634 0.03000 . 1 . . . A  64 ASP HA  . 19036 1 
      311 . 1 1  64  64 ASP CA  C 13  52.257  0.30000 . 1 . . . A  64 ASP CA  . 19036 1 
      312 . 1 1  64  64 ASP CB  C 13  42.416  0.30000 . 1 . . . A  64 ASP CB  . 19036 1 
      313 . 1 1  64  64 ASP N   N 15 128.37   0.30000 . 1 . . . A  64 ASP N   . 19036 1 
      314 . 1 1  65  65 PHE H   H  1   8.9998 0.03000 . 1 . . . A  65 PHE H   . 19036 1 
      315 . 1 1  65  65 PHE HA  H  1   4.0280 0.03000 . 1 . . . A  65 PHE HA  . 19036 1 
      316 . 1 1  65  65 PHE CA  C 13  63.404  0.30000 . 1 . . . A  65 PHE CA  . 19036 1 
      317 . 1 1  65  65 PHE CB  C 13  36.123  0.30000 . 1 . . . A  65 PHE CB  . 19036 1 
      318 . 1 1  65  65 PHE N   N 15 118.87   0.30000 . 1 . . . A  65 PHE N   . 19036 1 
      319 . 1 1  66  66 PRO HA  H  1   3.9179 0.03000 . 1 . . . A  66 PRO HA  . 19036 1 
      320 . 1 1  66  66 PRO CA  C 13  66.799  0.30000 . 1 . . . A  66 PRO CA  . 19036 1 
      321 . 1 1  66  66 PRO CB  C 13  30.789  0.30000 . 1 . . . A  66 PRO CB  . 19036 1 
      322 . 1 1  67  67 GLU H   H  1   8.1853 0.03000 . 1 . . . A  67 GLU H   . 19036 1 
      323 . 1 1  67  67 GLU HA  H  1   4.0880 0.03000 . 1 . . . A  67 GLU HA  . 19036 1 
      324 . 1 1  67  67 GLU CA  C 13  58.965  0.30000 . 1 . . . A  67 GLU CA  . 19036 1 
      325 . 1 1  67  67 GLU CB  C 13  29.677  0.30000 . 1 . . . A  67 GLU CB  . 19036 1 
      326 . 1 1  67  67 GLU N   N 15 117.93   0.30000 . 1 . . . A  67 GLU N   . 19036 1 
      327 . 1 1  68  68 PHE H   H  1   8.7942 0.03000 . 1 . . . A  68 PHE H   . 19036 1 
      328 . 1 1  68  68 PHE HA  H  1   3.9565 0.03000 . 1 . . . A  68 PHE HA  . 19036 1 
      329 . 1 1  68  68 PHE CA  C 13  61.439  0.30000 . 1 . . . A  68 PHE CA  . 19036 1 
      330 . 1 1  68  68 PHE CB  C 13  40.429  0.30000 . 1 . . . A  68 PHE CB  . 19036 1 
      331 . 1 1  68  68 PHE N   N 15 123.83   0.30000 . 1 . . . A  68 PHE N   . 19036 1 
      332 . 1 1  69  69 LEU H   H  1   8.6618 0.03000 . 1 . . . A  69 LEU H   . 19036 1 
      333 . 1 1  69  69 LEU HA  H  1   3.3945 0.03000 . 1 . . . A  69 LEU HA  . 19036 1 
      334 . 1 1  69  69 LEU CA  C 13  58.042  0.30000 . 1 . . . A  69 LEU CA  . 19036 1 
      335 . 1 1  69  69 LEU CB  C 13  41.246  0.30000 . 1 . . . A  69 LEU CB  . 19036 1 
      336 . 1 1  69  69 LEU N   N 15 119.41   0.30000 . 1 . . . A  69 LEU N   . 19036 1 
      337 . 1 1  70  70 THR H   H  1   7.7435 0.03000 . 1 . . . A  70 THR H   . 19036 1 
      338 . 1 1  70  70 THR HA  H  1   3.7830 0.03000 . 1 . . . A  70 THR HA  . 19036 1 
      339 . 1 1  70  70 THR CA  C 13  66.623  0.30000 . 1 . . . A  70 THR CA  . 19036 1 
      340 . 1 1  70  70 THR CB  C 13  68.592  0.30000 . 1 . . . A  70 THR CB  . 19036 1 
      341 . 1 1  70  70 THR N   N 15 115.70   0.30000 . 1 . . . A  70 THR N   . 19036 1 
      342 . 1 1  71  71 MET H   H  1   7.6220 0.03000 . 1 . . . A  71 MET H   . 19036 1 
      343 . 1 1  71  71 MET HA  H  1   3.8885 0.03000 . 1 . . . A  71 MET HA  . 19036 1 
      344 . 1 1  71  71 MET CA  C 13  58.859  0.30000 . 1 . . . A  71 MET CA  . 19036 1 
      345 . 1 1  71  71 MET CB  C 13  32.676  0.30000 . 1 . . . A  71 MET CB  . 19036 1 
      346 . 1 1  71  71 MET N   N 15 121.35   0.30000 . 1 . . . A  71 MET N   . 19036 1 
      347 . 1 1  72  72 MET H   H  1   8.0658 0.03000 . 1 . . . A  72 MET H   . 19036 1 
      348 . 1 1  72  72 MET HA  H  1   3.9728 0.03000 . 1 . . . A  72 MET HA  . 19036 1 
      349 . 1 1  72  72 MET CA  C 13  56.030  0.30000 . 1 . . . A  72 MET CA  . 19036 1 
      350 . 1 1  72  72 MET CB  C 13  30.934  0.30000 . 1 . . . A  72 MET CB  . 19036 1 
      351 . 1 1  72  72 MET N   N 15 117.39   0.30000 . 1 . . . A  72 MET N   . 19036 1 
      352 . 1 1  73  73 ALA H   H  1   8.2760 0.03000 . 1 . . . A  73 ALA H   . 19036 1 
      353 . 1 1  73  73 ALA HA  H  1   4.1032 0.03000 . 1 . . . A  73 ALA HA  . 19036 1 
      354 . 1 1  73  73 ALA CA  C 13  54.517  0.30000 . 1 . . . A  73 ALA CA  . 19036 1 
      355 . 1 1  73  73 ALA CB  C 13  18.381  0.30000 . 1 . . . A  73 ALA CB  . 19036 1 
      356 . 1 1  73  73 ALA N   N 15 121.67   0.30000 . 1 . . . A  73 ALA N   . 19036 1 
      357 . 1 1  74  74 ARG H   H  1   7.5387 0.03000 . 1 . . . A  74 ARG H   . 19036 1 
      358 . 1 1  74  74 ARG HA  H  1   4.1129 0.03000 . 1 . . . A  74 ARG HA  . 19036 1 
      359 . 1 1  74  74 ARG CA  C 13  58.327  0.30000 . 1 . . . A  74 ARG CA  . 19036 1 
      360 . 1 1  74  74 ARG CB  C 13  30.378  0.30000 . 1 . . . A  74 ARG CB  . 19036 1 
      361 . 1 1  74  74 ARG N   N 15 117.22   0.30000 . 1 . . . A  74 ARG N   . 19036 1 
      362 . 1 1  75  75 LYS H   H  1   7.8326 0.03000 . 1 . . . A  75 LYS H   . 19036 1 
      363 . 1 1  75  75 LYS HA  H  1   4.2609 0.03000 . 1 . . . A  75 LYS HA  . 19036 1 
      364 . 1 1  75  75 LYS CA  C 13  56.990  0.30000 . 1 . . . A  75 LYS CA  . 19036 1 
      365 . 1 1  75  75 LYS CB  C 13  32.412  0.30000 . 1 . . . A  75 LYS CB  . 19036 1 
      366 . 1 1  75  75 LYS N   N 15 119.12   0.30000 . 1 . . . A  75 LYS N   . 19036 1 
      367 . 1 1  76  76 MET H   H  1   8.0000 0.03000 . 1 . . . A  76 MET H   . 19036 1 
      368 . 1 1  76  76 MET HA  H  1   4.3699 0.03000 . 1 . . . A  76 MET HA  . 19036 1 
      369 . 1 1  76  76 MET CA  C 13  56.700  0.30000 . 1 . . . A  76 MET CA  . 19036 1 
      370 . 1 1  76  76 MET CB  C 13  32.981  0.30000 . 1 . . . A  76 MET CB  . 19036 1 
      371 . 1 1  76  76 MET N   N 15 118.86   0.30000 . 1 . . . A  76 MET N   . 19036 1 
      372 . 1 1  77  77 LYS H   H  1   7.8662 0.03000 . 1 . . . A  77 LYS H   . 19036 1 
      373 . 1 1  77  77 LYS HA  H  1   4.3521 0.03000 . 1 . . . A  77 LYS HA  . 19036 1 
      374 . 1 1  77  77 LYS CA  C 13  56.709  0.30000 . 1 . . . A  77 LYS CA  . 19036 1 
      375 . 1 1  77  77 LYS CB  C 13  33.138  0.30000 . 1 . . . A  77 LYS CB  . 19036 1 
      376 . 1 1  77  77 LYS N   N 15 120.20   0.30000 . 1 . . . A  77 LYS N   . 19036 1 
      377 . 1 1  78  78 ASP H   H  1   8.2497 0.03000 . 1 . . . A  78 ASP H   . 19036 1 
      378 . 1 1  78  78 ASP HA  H  1   4.6911 0.03000 . 1 . . . A  78 ASP HA  . 19036 1 
      379 . 1 1  78  78 ASP CA  C 13  54.771  0.30000 . 1 . . . A  78 ASP CA  . 19036 1 
      380 . 1 1  78  78 ASP CB  C 13  41.222  0.30000 . 1 . . . A  78 ASP CB  . 19036 1 
      381 . 1 1  78  78 ASP N   N 15 121.43   0.30000 . 1 . . . A  78 ASP N   . 19036 1 
      382 . 1 1  79  79 THR H   H  1   8.0932 0.03000 . 1 . . . A  79 THR H   . 19036 1 
      383 . 1 1  79  79 THR HA  H  1   4.3371 0.03000 . 1 . . . A  79 THR HA  . 19036 1 
      384 . 1 1  79  79 THR CA  C 13  62.349  0.30000 . 1 . . . A  79 THR CA  . 19036 1 
      385 . 1 1  79  79 THR CB  C 13  69.875  0.30000 . 1 . . . A  79 THR CB  . 19036 1 
      386 . 1 1  79  79 THR N   N 15 114.39   0.30000 . 1 . . . A  79 THR N   . 19036 1 
      387 . 1 1  80  80 ASP H   H  1   8.4546 0.03000 . 1 . . . A  80 ASP H   . 19036 1 
      388 . 1 1  80  80 ASP HA  H  1   4.7210 0.03000 . 1 . . . A  80 ASP HA  . 19036 1 
      389 . 1 1  80  80 ASP CA  C 13  54.655  0.30000 . 1 . . . A  80 ASP CA  . 19036 1 
      390 . 1 1  80  80 ASP CB  C 13  41.416  0.30000 . 1 . . . A  80 ASP CB  . 19036 1 
      391 . 1 1  80  80 ASP N   N 15 123.46   0.30000 . 1 . . . A  80 ASP N   . 19036 1 
      392 . 1 1  81  81 SER H   H  1   8.5046 0.03000 . 1 . . . A  81 SER H   . 19036 1 
      393 . 1 1  81  81 SER HA  H  1   4.4546 0.03000 . 1 . . . A  81 SER HA  . 19036 1 
      394 . 1 1  81  81 SER CA  C 13  59.571  0.30000 . 1 . . . A  81 SER CA  . 19036 1 
      395 . 1 1  81  81 SER CB  C 13  63.825  0.30000 . 1 . . . A  81 SER CB  . 19036 1 
      396 . 1 1  81  81 SER N   N 15 117.44   0.30000 . 1 . . . A  81 SER N   . 19036 1 
      397 . 1 1  82  82 GLU H   H  1   8.5077 0.03000 . 1 . . . A  82 GLU H   . 19036 1 
      398 . 1 1  82  82 GLU HA  H  1   4.1849 0.03000 . 1 . . . A  82 GLU HA  . 19036 1 
      399 . 1 1  82  82 GLU CA  C 13  58.800  0.30000 . 1 . . . A  82 GLU CA  . 19036 1 
      400 . 1 1  82  82 GLU CB  C 13  29.660  0.30000 . 1 . . . A  82 GLU CB  . 19036 1 
      401 . 1 1  82  82 GLU N   N 15 122.38   0.30000 . 1 . . . A  82 GLU N   . 19036 1 
      402 . 1 1  83  83 GLU H   H  1   8.2968 0.03000 . 1 . . . A  83 GLU H   . 19036 1 
      403 . 1 1  83  83 GLU HA  H  1   4.0849 0.03000 . 1 . . . A  83 GLU HA  . 19036 1 
      404 . 1 1  83  83 GLU CA  C 13  59.576  0.30000 . 1 . . . A  83 GLU CA  . 19036 1 
      405 . 1 1  83  83 GLU CB  C 13  29.410  0.30000 . 1 . . . A  83 GLU CB  . 19036 1 
      406 . 1 1  83  83 GLU N   N 15 119.67   0.30000 . 1 . . . A  83 GLU N   . 19036 1 
      407 . 1 1  84  84 GLU H   H  1   8.2180 0.03000 . 1 . . . A  84 GLU H   . 19036 1 
      408 . 1 1  84  84 GLU HA  H  1   4.1345 0.03000 . 1 . . . A  84 GLU HA  . 19036 1 
      409 . 1 1  84  84 GLU CA  C 13  59.523  0.30000 . 1 . . . A  84 GLU CA  . 19036 1 
      410 . 1 1  84  84 GLU CB  C 13  29.607  0.30000 . 1 . . . A  84 GLU CB  . 19036 1 
      411 . 1 1  84  84 GLU N   N 15 118.70   0.30000 . 1 . . . A  84 GLU N   . 19036 1 
      412 . 1 1  85  85 ILE H   H  1   7.9800 0.03000 . 1 . . . A  85 ILE H   . 19036 1 
      413 . 1 1  85  85 ILE HA  H  1   3.9806 0.03000 . 1 . . . A  85 ILE HA  . 19036 1 
      414 . 1 1  85  85 ILE CA  C 13  64.941  0.30000 . 1 . . . A  85 ILE CA  . 19036 1 
      415 . 1 1  85  85 ILE CB  C 13  37.484  0.30000 . 1 . . . A  85 ILE CB  . 19036 1 
      416 . 1 1  85  85 ILE N   N 15 121.50   0.30000 . 1 . . . A  85 ILE N   . 19036 1 
      417 . 1 1  86  86 ARG H   H  1   8.4707 0.03000 . 1 . . . A  86 ARG H   . 19036 1 
      418 . 1 1  86  86 ARG HA  H  1   4.1856 0.03000 . 1 . . . A  86 ARG HA  . 19036 1 
      419 . 1 1  86  86 ARG CA  C 13  60.202  0.30000 . 1 . . . A  86 ARG CA  . 19036 1 
      420 . 1 1  86  86 ARG CB  C 13  30.026  0.30000 . 1 . . . A  86 ARG CB  . 19036 1 
      421 . 1 1  86  86 ARG N   N 15 121.71   0.30000 . 1 . . . A  86 ARG N   . 19036 1 
      422 . 1 1  87  87 GLU H   H  1   8.2106 0.03000 . 1 . . . A  87 GLU H   . 19036 1 
      423 . 1 1  87  87 GLU HA  H  1   4.1789 0.03000 . 1 . . . A  87 GLU HA  . 19036 1 
      424 . 1 1  87  87 GLU CA  C 13  58.995  0.30000 . 1 . . . A  87 GLU CA  . 19036 1 
      425 . 1 1  87  87 GLU CB  C 13  29.201  0.30000 . 1 . . . A  87 GLU CB  . 19036 1 
      426 . 1 1  87  87 GLU N   N 15 118.71   0.30000 . 1 . . . A  87 GLU N   . 19036 1 
      427 . 1 1  88  88 ALA H   H  1   8.0375 0.03000 . 1 . . . A  88 ALA H   . 19036 1 
      428 . 1 1  88  88 ALA HA  H  1   4.1803 0.03000 . 1 . . . A  88 ALA HA  . 19036 1 
      429 . 1 1  88  88 ALA CA  C 13  55.275  0.30000 . 1 . . . A  88 ALA CA  . 19036 1 
      430 . 1 1  88  88 ALA CB  C 13  17.936  0.30000 . 1 . . . A  88 ALA CB  . 19036 1 
      431 . 1 1  88  88 ALA N   N 15 121.91   0.30000 . 1 . . . A  88 ALA N   . 19036 1 
      432 . 1 1  89  89 PHE H   H  1   8.6230 0.03000 . 1 . . . A  89 PHE H   . 19036 1 
      433 . 1 1  89  89 PHE HA  H  1   3.1885 0.03000 . 1 . . . A  89 PHE HA  . 19036 1 
      434 . 1 1  89  89 PHE CA  C 13  62.283  0.30000 . 1 . . . A  89 PHE CA  . 19036 1 
      435 . 1 1  89  89 PHE CB  C 13  39.238  0.30000 . 1 . . . A  89 PHE CB  . 19036 1 
      436 . 1 1  89  89 PHE N   N 15 118.79   0.30000 . 1 . . . A  89 PHE N   . 19036 1 
      437 . 1 1  90  90 ARG H   H  1   7.7749 0.03000 . 1 . . . A  90 ARG H   . 19036 1 
      438 . 1 1  90  90 ARG HA  H  1   3.9060 0.03000 . 1 . . . A  90 ARG HA  . 19036 1 
      439 . 1 1  90  90 ARG CA  C 13  58.950  0.30000 . 1 . . . A  90 ARG CA  . 19036 1 
      440 . 1 1  90  90 ARG CB  C 13  30.414  0.30000 . 1 . . . A  90 ARG CB  . 19036 1 
      441 . 1 1  90  90 ARG N   N 15 115.89   0.30000 . 1 . . . A  90 ARG N   . 19036 1 
      442 . 1 1  91  91 VAL H   H  1   7.5385 0.03000 . 1 . . . A  91 VAL H   . 19036 1 
      443 . 1 1  91  91 VAL HA  H  1   3.5149 0.03000 . 1 . . . A  91 VAL HA  . 19036 1 
      444 . 1 1  91  91 VAL CA  C 13  65.726  0.30000 . 1 . . . A  91 VAL CA  . 19036 1 
      445 . 1 1  91  91 VAL CB  C 13  31.579  0.30000 . 1 . . . A  91 VAL CB  . 19036 1 
      446 . 1 1  91  91 VAL N   N 15 118.32   0.30000 . 1 . . . A  91 VAL N   . 19036 1 
      447 . 1 1  92  92 PHE H   H  1   7.3815 0.03000 . 1 . . . A  92 PHE H   . 19036 1 
      448 . 1 1  92  92 PHE HA  H  1   4.2472 0.03000 . 1 . . . A  92 PHE HA  . 19036 1 
      449 . 1 1  92  92 PHE CA  C 13  60.241  0.30000 . 1 . . . A  92 PHE CA  . 19036 1 
      450 . 1 1  92  92 PHE CB  C 13  40.951  0.30000 . 1 . . . A  92 PHE CB  . 19036 1 
      451 . 1 1  92  92 PHE N   N 15 115.75   0.30000 . 1 . . . A  92 PHE N   . 19036 1 
      452 . 1 1  93  93 ASP H   H  1   7.8997 0.03000 . 1 . . . A  93 ASP H   . 19036 1 
      453 . 1 1  93  93 ASP HA  H  1   4.5899 0.03000 . 1 . . . A  93 ASP HA  . 19036 1 
      454 . 1 1  93  93 ASP CA  C 13  52.466  0.30000 . 1 . . . A  93 ASP CA  . 19036 1 
      455 . 1 1  93  93 ASP CB  C 13  38.478  0.30000 . 1 . . . A  93 ASP CB  . 19036 1 
      456 . 1 1  93  93 ASP N   N 15 116.59   0.30000 . 1 . . . A  93 ASP N   . 19036 1 
      457 . 1 1  94  94 LYS H   H  1   7.7899 0.03000 . 1 . . . A  94 LYS H   . 19036 1 
      458 . 1 1  94  94 LYS HA  H  1   3.9454 0.03000 . 1 . . . A  94 LYS HA  . 19036 1 
      459 . 1 1  94  94 LYS CA  C 13  59.072  0.30000 . 1 . . . A  94 LYS CA  . 19036 1 
      460 . 1 1  94  94 LYS CB  C 13  32.589  0.30000 . 1 . . . A  94 LYS CB  . 19036 1 
      461 . 1 1  94  94 LYS N   N 15 126.16   0.30000 . 1 . . . A  94 LYS N   . 19036 1 
      462 . 1 1  95  95 ASP H   H  1   8.2372 0.03000 . 1 . . . A  95 ASP H   . 19036 1 
      463 . 1 1  95  95 ASP HA  H  1   4.5785 0.03000 . 1 . . . A  95 ASP HA  . 19036 1 
      464 . 1 1  95  95 ASP CA  C 13  53.120  0.30000 . 1 . . . A  95 ASP CA  . 19036 1 
      465 . 1 1  95  95 ASP CB  C 13  40.043  0.30000 . 1 . . . A  95 ASP CB  . 19036 1 
      466 . 1 1  95  95 ASP N   N 15 114.06   0.30000 . 1 . . . A  95 ASP N   . 19036 1 
      467 . 1 1  96  96 GLY H   H  1   7.8391 0.03000 . 1 . . . A  96 GLY H   . 19036 1 
      468 . 1 1  96  96 GLY HA2 H  1   3.8258 0.03000 . 2 . . . A  96 GLY HA2 . 19036 1 
      469 . 1 1  96  96 GLY HA3 H  1   3.8200 0.03000 . 2 . . . A  96 GLY HA3 . 19036 1 
      470 . 1 1  96  96 GLY CA  C 13  47.263  0.30000 . 1 . . . A  96 GLY CA  . 19036 1 
      471 . 1 1  96  96 GLY N   N 15 109.41   0.30000 . 1 . . . A  96 GLY N   . 19036 1 
      472 . 1 1  97  97 ASN H   H  1   8.3768 0.03000 . 1 . . . A  97 ASN H   . 19036 1 
      473 . 1 1  97  97 ASN HA  H  1   4.6587 0.03000 . 1 . . . A  97 ASN HA  . 19036 1 
      474 . 1 1  97  97 ASN CA  C 13  52.681  0.30000 . 1 . . . A  97 ASN CA  . 19036 1 
      475 . 1 1  97  97 ASN CB  C 13  38.311  0.30000 . 1 . . . A  97 ASN CB  . 19036 1 
      476 . 1 1  97  97 ASN N   N 15 119.63   0.30000 . 1 . . . A  97 ASN N   . 19036 1 
      477 . 1 1  98  98 GLY H   H  1  10.687  0.03000 . 1 . . . A  98 GLY H   . 19036 1 
      478 . 1 1  98  98 GLY HA2 H  1   3.4730 0.03000 . 2 . . . A  98 GLY HA2 . 19036 1 
      479 . 1 1  98  98 GLY HA3 H  1   4.0922 0.03000 . 2 . . . A  98 GLY HA3 . 19036 1 
      480 . 1 1  98  98 GLY CA  C 13  45.183  0.30000 . 1 . . . A  98 GLY CA  . 19036 1 
      481 . 1 1  98  98 GLY N   N 15 112.97   0.30000 . 1 . . . A  98 GLY N   . 19036 1 
      482 . 1 1  99  99 TYR H   H  1   7.6712 0.03000 . 1 . . . A  99 TYR H   . 19036 1 
      483 . 1 1  99  99 TYR HA  H  1   5.0652 0.03000 . 1 . . . A  99 TYR HA  . 19036 1 
      484 . 1 1  99  99 TYR CA  C 13  56.198  0.30000 . 1 . . . A  99 TYR CA  . 19036 1 
      485 . 1 1  99  99 TYR CB  C 13  43.110  0.30000 . 1 . . . A  99 TYR CB  . 19036 1 
      486 . 1 1  99  99 TYR N   N 15 116.08   0.30000 . 1 . . . A  99 TYR N   . 19036 1 
      487 . 1 1 100 100 ILE H   H  1  10.163  0.03000 . 1 . . . A 100 ILE H   . 19036 1 
      488 . 1 1 100 100 ILE HA  H  1   4.7801 0.03000 . 1 . . . A 100 ILE HA  . 19036 1 
      489 . 1 1 100 100 ILE CA  C 13  60.731  0.30000 . 1 . . . A 100 ILE CA  . 19036 1 
      490 . 1 1 100 100 ILE CB  C 13  39.050  0.30000 . 1 . . . A 100 ILE CB  . 19036 1 
      491 . 1 1 100 100 ILE N   N 15 127.32   0.30000 . 1 . . . A 100 ILE N   . 19036 1 
      492 . 1 1 101 101 SER H   H  1   8.9705 0.03000 . 1 . . . A 101 SER H   . 19036 1 
      493 . 1 1 101 101 SER HA  H  1   4.8977 0.03000 . 1 . . . A 101 SER HA  . 19036 1 
      494 . 1 1 101 101 SER CA  C 13  55.840  0.30000 . 1 . . . A 101 SER CA  . 19036 1 
      495 . 1 1 101 101 SER CB  C 13  66.799  0.30000 . 1 . . . A 101 SER CB  . 19036 1 
      496 . 1 1 101 101 SER N   N 15 123.81   0.30000 . 1 . . . A 101 SER N   . 19036 1 
      497 . 1 1 102 102 ALA H   H  1   9.2694 0.03000 . 1 . . . A 102 ALA H   . 19036 1 
      498 . 1 1 102 102 ALA HA  H  1   3.9271 0.03000 . 1 . . . A 102 ALA HA  . 19036 1 
      499 . 1 1 102 102 ALA CA  C 13  56.023  0.30000 . 1 . . . A 102 ALA CA  . 19036 1 
      500 . 1 1 102 102 ALA CB  C 13  18.139  0.30000 . 1 . . . A 102 ALA CB  . 19036 1 
      501 . 1 1 102 102 ALA N   N 15 123.13   0.30000 . 1 . . . A 102 ALA N   . 19036 1 
      502 . 1 1 103 103 ALA H   H  1   8.2940 0.03000 . 1 . . . A 103 ALA H   . 19036 1 
      503 . 1 1 103 103 ALA HA  H  1   4.0578 0.03000 . 1 . . . A 103 ALA HA  . 19036 1 
      504 . 1 1 103 103 ALA CA  C 13  55.250  0.30000 . 1 . . . A 103 ALA CA  . 19036 1 
      505 . 1 1 103 103 ALA CB  C 13  18.492  0.30000 . 1 . . . A 103 ALA CB  . 19036 1 
      506 . 1 1 103 103 ALA N   N 15 118.46   0.30000 . 1 . . . A 103 ALA N   . 19036 1 
      507 . 1 1 104 104 GLU H   H  1   7.9385 0.03000 . 1 . . . A 104 GLU H   . 19036 1 
      508 . 1 1 104 104 GLU HA  H  1   4.0728 0.03000 . 1 . . . A 104 GLU HA  . 19036 1 
      509 . 1 1 104 104 GLU CA  C 13  59.567  0.30000 . 1 . . . A 104 GLU CA  . 19036 1 
      510 . 1 1 104 104 GLU CB  C 13  29.262  0.30000 . 1 . . . A 104 GLU CB  . 19036 1 
      511 . 1 1 104 104 GLU N   N 15 120.07   0.30000 . 1 . . . A 104 GLU N   . 19036 1 
      512 . 1 1 105 105 LEU H   H  1   8.5338 0.03000 . 1 . . . A 105 LEU H   . 19036 1 
      513 . 1 1 105 105 LEU HA  H  1   4.1329 0.03000 . 1 . . . A 105 LEU HA  . 19036 1 
      514 . 1 1 105 105 LEU CA  C 13  58.618  0.30000 . 1 . . . A 105 LEU CA  . 19036 1 
      515 . 1 1 105 105 LEU CB  C 13  42.210  0.30000 . 1 . . . A 105 LEU CB  . 19036 1 
      516 . 1 1 105 105 LEU N   N 15 120.99   0.30000 . 1 . . . A 105 LEU N   . 19036 1 
      517 . 1 1 106 106 ARG H   H  1   8.6674 0.03000 . 1 . . . A 106 ARG H   . 19036 1 
      518 . 1 1 106 106 ARG HA  H  1   3.8315 0.03000 . 1 . . . A 106 ARG HA  . 19036 1 
      519 . 1 1 106 106 ARG CA  C 13  60.041  0.30000 . 1 . . . A 106 ARG CA  . 19036 1 
      520 . 1 1 106 106 ARG CB  C 13  30.648  0.30000 . 1 . . . A 106 ARG CB  . 19036 1 
      521 . 1 1 106 106 ARG N   N 15 117.58   0.30000 . 1 . . . A 106 ARG N   . 19036 1 
      522 . 1 1 107 107 HIS H   H  1   8.0707 0.03000 . 1 . . . A 107 HIS H   . 19036 1 
      523 . 1 1 107 107 HIS HA  H  1   4.3381 0.03000 . 1 . . . A 107 HIS HA  . 19036 1 
      524 . 1 1 107 107 HIS CA  C 13  59.771  0.30000 . 1 . . . A 107 HIS CA  . 19036 1 
      525 . 1 1 107 107 HIS CB  C 13  30.491  0.30000 . 1 . . . A 107 HIS CB  . 19036 1 
      526 . 1 1 107 107 HIS N   N 15 118.88   0.30000 . 1 . . . A 107 HIS N   . 19036 1 
      527 . 1 1 108 108 VAL H   H  1   8.1074 0.03000 . 1 . . . A 108 VAL H   . 19036 1 
      528 . 1 1 108 108 VAL HA  H  1   3.5563 0.03000 . 1 . . . A 108 VAL HA  . 19036 1 
      529 . 1 1 108 108 VAL CA  C 13  66.580  0.30000 . 1 . . . A 108 VAL CA  . 19036 1 
      530 . 1 1 108 108 VAL CB  C 13  31.920  0.30000 . 1 . . . A 108 VAL CB  . 19036 1 
      531 . 1 1 108 108 VAL N   N 15 119.17   0.30000 . 1 . . . A 108 VAL N   . 19036 1 
      532 . 1 1 109 109 MET H   H  1   8.2799 0.03000 . 1 . . . A 109 MET H   . 19036 1 
      533 . 1 1 109 109 MET HA  H  1   4.3256 0.03000 . 1 . . . A 109 MET HA  . 19036 1 
      534 . 1 1 109 109 MET CA  C 13  57.824  0.30000 . 1 . . . A 109 MET CA  . 19036 1 
      535 . 1 1 109 109 MET CB  C 13  31.052  0.30000 . 1 . . . A 109 MET CB  . 19036 1 
      536 . 1 1 109 109 MET N   N 15 116.29   0.30000 . 1 . . . A 109 MET N   . 19036 1 
      537 . 1 1 110 110 THR H   H  1   8.2441 0.03000 . 1 . . . A 110 THR H   . 19036 1 
      538 . 1 1 110 110 THR HA  H  1   4.1658 0.03000 . 1 . . . A 110 THR HA  . 19036 1 
      539 . 1 1 110 110 THR CA  C 13  66.182  0.30000 . 1 . . . A 110 THR CA  . 19036 1 
      540 . 1 1 110 110 THR CB  C 13  68.951  0.30000 . 1 . . . A 110 THR CB  . 19036 1 
      541 . 1 1 110 110 THR N   N 15 115.19   0.30000 . 1 . . . A 110 THR N   . 19036 1 
      542 . 1 1 111 111 ASN H   H  1   7.9038 0.03000 . 1 . . . A 111 ASN H   . 19036 1 
      543 . 1 1 111 111 ASN HA  H  1   4.5025 0.03000 . 1 . . . A 111 ASN HA  . 19036 1 
      544 . 1 1 111 111 ASN CA  C 13  55.931  0.30000 . 1 . . . A 111 ASN CA  . 19036 1 
      545 . 1 1 111 111 ASN CB  C 13  38.585  0.30000 . 1 . . . A 111 ASN CB  . 19036 1 
      546 . 1 1 111 111 ASN N   N 15 122.31   0.30000 . 1 . . . A 111 ASN N   . 19036 1 
      547 . 1 1 112 112 LEU H   H  1   7.8725 0.03000 . 1 . . . A 112 LEU H   . 19036 1 
      548 . 1 1 112 112 LEU HA  H  1   4.3545 0.03000 . 1 . . . A 112 LEU HA  . 19036 1 
      549 . 1 1 112 112 LEU CA  C 13  55.274  0.30000 . 1 . . . A 112 LEU CA  . 19036 1 
      550 . 1 1 112 112 LEU CB  C 13  42.218  0.30000 . 1 . . . A 112 LEU CB  . 19036 1 
      551 . 1 1 112 112 LEU N   N 15 118.85   0.30000 . 1 . . . A 112 LEU N   . 19036 1 
      552 . 1 1 113 113 GLY H   H  1   7.8441 0.03000 . 1 . . . A 113 GLY H   . 19036 1 
      553 . 1 1 113 113 GLY HA2 H  1   3.7440 0.30000 . 2 . . . A 113 GLY HA2 . 19036 1 
      554 . 1 1 113 113 GLY HA3 H  1   4.2373 0.03000 . 2 . . . A 113 GLY HA3 . 19036 1 
      555 . 1 1 113 113 GLY CA  C 13  45.596  0.30000 . 1 . . . A 113 GLY CA  . 19036 1 
      556 . 1 1 113 113 GLY N   N 15 106.70   0.30000 . 1 . . . A 113 GLY N   . 19036 1 
      557 . 1 1 114 114 GLU H   H  1   7.9458 0.03000 . 1 . . . A 114 GLU H   . 19036 1 
      558 . 1 1 114 114 GLU HA  H  1   4.4594 0.03000 . 1 . . . A 114 GLU HA  . 19036 1 
      559 . 1 1 114 114 GLU CA  C 13  55.046  0.30000 . 1 . . . A 114 GLU CA  . 19036 1 
      560 . 1 1 114 114 GLU CB  C 13  30.469  0.30000 . 1 . . . A 114 GLU CB  . 19036 1 
      561 . 1 1 114 114 GLU N   N 15 120.14   0.30000 . 1 . . . A 114 GLU N   . 19036 1 
      562 . 1 1 115 115 LYS H   H  1   8.6462 0.03000 . 1 . . . A 115 LYS H   . 19036 1 
      563 . 1 1 115 115 LYS HA  H  1   4.3941 0.03000 . 1 . . . A 115 LYS HA  . 19036 1 
      564 . 1 1 115 115 LYS CA  C 13  55.794  0.30000 . 1 . . . A 115 LYS CA  . 19036 1 
      565 . 1 1 115 115 LYS CB  C 13  32.191  0.30000 . 1 . . . A 115 LYS CB  . 19036 1 
      566 . 1 1 115 115 LYS N   N 15 124.13   0.30000 . 1 . . . A 115 LYS N   . 19036 1 
      567 . 1 1 116 116 LEU H   H  1   8.0968 0.03000 . 1 . . . A 116 LEU H   . 19036 1 
      568 . 1 1 116 116 LEU HA  H  1   4.7933 0.03000 . 1 . . . A 116 LEU HA  . 19036 1 
      569 . 1 1 116 116 LEU CA  C 13  54.127  0.30000 . 1 . . . A 116 LEU CA  . 19036 1 
      570 . 1 1 116 116 LEU CB  C 13  44.934  0.30000 . 1 . . . A 116 LEU CB  . 19036 1 
      571 . 1 1 116 116 LEU N   N 15 124.84   0.30000 . 1 . . . A 116 LEU N   . 19036 1 
      572 . 1 1 117 117 THR H   H  1   9.2524 0.03000 . 1 . . . A 117 THR H   . 19036 1 
      573 . 1 1 117 117 THR HA  H  1   4.4919 0.03000 . 1 . . . A 117 THR HA  . 19036 1 
      574 . 1 1 117 117 THR CA  C 13  60.751  0.30000 . 1 . . . A 117 THR CA  . 19036 1 
      575 . 1 1 117 117 THR CB  C 13  71.303  0.30000 . 1 . . . A 117 THR CB  . 19036 1 
      576 . 1 1 117 117 THR N   N 15 114.69   0.30000 . 1 . . . A 117 THR N   . 19036 1 
      577 . 1 1 118 118 ASP H   H  1   8.9362 0.03000 . 1 . . . A 118 ASP H   . 19036 1 
      578 . 1 1 118 118 ASP HA  H  1   4.2322 0.03000 . 1 . . . A 118 ASP HA  . 19036 1 
      579 . 1 1 118 118 ASP CA  C 13  58.080  0.30000 . 1 . . . A 118 ASP CA  . 19036 1 
      580 . 1 1 118 118 ASP CB  C 13  39.870  0.30000 . 1 . . . A 118 ASP CB  . 19036 1 
      581 . 1 1 118 118 ASP N   N 15 121.13   0.30000 . 1 . . . A 118 ASP N   . 19036 1 
      582 . 1 1 119 119 GLU H   H  1   8.7152 0.03000 . 1 . . . A 119 GLU H   . 19036 1 
      583 . 1 1 119 119 GLU HA  H  1   4.1172 0.03000 . 1 . . . A 119 GLU HA  . 19036 1 
      584 . 1 1 119 119 GLU CA  C 13  60.043  0.30000 . 1 . . . A 119 GLU CA  . 19036 1 
      585 . 1 1 119 119 GLU CB  C 13  29.135  0.30000 . 1 . . . A 119 GLU CB  . 19036 1 
      586 . 1 1 119 119 GLU N   N 15 119.11   0.30000 . 1 . . . A 119 GLU N   . 19036 1 
      587 . 1 1 120 120 GLU H   H  1   7.8090 0.03000 . 1 . . . A 120 GLU H   . 19036 1 
      588 . 1 1 120 120 GLU HA  H  1   4.0621 0.03000 . 1 . . . A 120 GLU HA  . 19036 1 
      589 . 1 1 120 120 GLU CA  C 13  59.138  0.30000 . 1 . . . A 120 GLU CA  . 19036 1 
      590 . 1 1 120 120 GLU CB  C 13  30.420  0.30000 . 1 . . . A 120 GLU CB  . 19036 1 
      591 . 1 1 120 120 GLU N   N 15 120.68   0.30000 . 1 . . . A 120 GLU N   . 19036 1 
      592 . 1 1 121 121 VAL H   H  1   8.0789 0.03000 . 1 . . . A 121 VAL H   . 19036 1 
      593 . 1 1 121 121 VAL HA  H  1   3.6367 0.03000 . 1 . . . A 121 VAL HA  . 19036 1 
      594 . 1 1 121 121 VAL CA  C 13  67.003  0.30000 . 1 . . . A 121 VAL CA  . 19036 1 
      595 . 1 1 121 121 VAL CB  C 13  31.463  0.30000 . 1 . . . A 121 VAL CB  . 19036 1 
      596 . 1 1 121 121 VAL N   N 15 120.66   0.30000 . 1 . . . A 121 VAL N   . 19036 1 
      597 . 1 1 122 122 ASP H   H  1   8.1237 0.03000 . 1 . . . A 122 ASP H   . 19036 1 
      598 . 1 1 122 122 ASP HA  H  1   4.3495 0.03000 . 1 . . . A 122 ASP HA  . 19036 1 
      599 . 1 1 122 122 ASP CA  C 13  57.718  0.30000 . 1 . . . A 122 ASP CA  . 19036 1 
      600 . 1 1 122 122 ASP CB  C 13  40.593  0.30000 . 1 . . . A 122 ASP CB  . 19036 1 
      601 . 1 1 122 122 ASP N   N 15 119.59   0.30000 . 1 . . . A 122 ASP N   . 19036 1 
      602 . 1 1 123 123 GLU H   H  1   8.0336 0.03000 . 1 . . . A 123 GLU H   . 19036 1 
      603 . 1 1 123 123 GLU HA  H  1   4.0508 0.03000 . 1 . . . A 123 GLU HA  . 19036 1 
      604 . 1 1 123 123 GLU CA  C 13  59.144  0.30000 . 1 . . . A 123 GLU CA  . 19036 1 
      605 . 1 1 123 123 GLU CB  C 13  29.161  0.30000 . 1 . . . A 123 GLU CB  . 19036 1 
      606 . 1 1 123 123 GLU N   N 15 119.76   0.30000 . 1 . . . A 123 GLU N   . 19036 1 
      607 . 1 1 124 124 MET H   H  1   7.8706 0.03000 . 1 . . . A 124 MET H   . 19036 1 
      608 . 1 1 124 124 MET HA  H  1   4.0239 0.03000 . 1 . . . A 124 MET HA  . 19036 1 
      609 . 1 1 124 124 MET CA  C 13  59.353  0.30000 . 1 . . . A 124 MET CA  . 19036 1 
      610 . 1 1 124 124 MET CB  C 13  33.497  0.30000 . 1 . . . A 124 MET CB  . 19036 1 
      611 . 1 1 124 124 MET N   N 15 119.58   0.30000 . 1 . . . A 124 MET N   . 19036 1 
      612 . 1 1 125 125 ILE H   H  1   7.9530 0.03000 . 1 . . . A 125 ILE H   . 19036 1 
      613 . 1 1 125 125 ILE HA  H  1   3.5243 0.03000 . 1 . . . A 125 ILE HA  . 19036 1 
      614 . 1 1 125 125 ILE CA  C 13  63.855  0.30000 . 1 . . . A 125 ILE CA  . 19036 1 
      615 . 1 1 125 125 ILE CB  C 13  36.457  0.30000 . 1 . . . A 125 ILE CB  . 19036 1 
      616 . 1 1 125 125 ILE N   N 15 118.21   0.30000 . 1 . . . A 125 ILE N   . 19036 1 
      617 . 1 1 126 126 ARG H   H  1   8.2278 0.03000 . 1 . . . A 126 ARG H   . 19036 1 
      618 . 1 1 126 126 ARG HA  H  1   4.0377 0.03000 . 1 . . . A 126 ARG HA  . 19036 1 
      619 . 1 1 126 126 ARG CA  C 13  59.809  0.30000 . 1 . . . A 126 ARG CA  . 19036 1 
      620 . 1 1 126 126 ARG CB  C 13  30.311  0.30000 . 1 . . . A 126 ARG CB  . 19036 1 
      621 . 1 1 126 126 ARG N   N 15 118.42   0.30000 . 1 . . . A 126 ARG N   . 19036 1 
      622 . 1 1 127 127 GLU H   H  1   7.9500 0.03000 . 1 . . . A 127 GLU H   . 19036 1 
      623 . 1 1 127 127 GLU HA  H  1   4.0259 0.03000 . 1 . . . A 127 GLU HA  . 19036 1 
      624 . 1 1 127 127 GLU CA  C 13  58.489  0.30000 . 1 . . . A 127 GLU CA  . 19036 1 
      625 . 1 1 127 127 GLU CB  C 13  29.435  0.30000 . 1 . . . A 127 GLU CB  . 19036 1 
      626 . 1 1 127 127 GLU N   N 15 115.83   0.30000 . 1 . . . A 127 GLU N   . 19036 1 
      627 . 1 1 128 128 ALA H   H  1   7.3865 0.03000 . 1 . . . A 128 ALA H   . 19036 1 
      628 . 1 1 128 128 ALA HA  H  1   4.4438 0.03000 . 1 . . . A 128 ALA HA  . 19036 1 
      629 . 1 1 128 128 ALA CA  C 13  52.125  0.30000 . 1 . . . A 128 ALA CA  . 19036 1 
      630 . 1 1 128 128 ALA CB  C 13  21.322  0.30000 . 1 . . . A 128 ALA CB  . 19036 1 
      631 . 1 1 128 128 ALA N   N 15 119.01   0.30000 . 1 . . . A 128 ALA N   . 19036 1 
      632 . 1 1 129 129 ASP H   H  1   7.9126 0.03000 . 1 . . . A 129 ASP H   . 19036 1 
      633 . 1 1 129 129 ASP HA  H  1   4.5165 0.03000 . 1 . . . A 129 ASP HA  . 19036 1 
      634 . 1 1 129 129 ASP CA  C 13  54.190  0.30000 . 1 . . . A 129 ASP CA  . 19036 1 
      635 . 1 1 129 129 ASP CB  C 13  40.587  0.30000 . 1 . . . A 129 ASP CB  . 19036 1 
      636 . 1 1 129 129 ASP N   N 15 117.79   0.30000 . 1 . . . A 129 ASP N   . 19036 1 
      637 . 1 1 130 130 ILE H   H  1   8.3319 0.03000 . 1 . . . A 130 ILE H   . 19036 1 
      638 . 1 1 130 130 ILE HA  H  1   3.9385 0.03000 . 1 . . . A 130 ILE HA  . 19036 1 
      639 . 1 1 130 130 ILE CA  C 13  63.431  0.30000 . 1 . . . A 130 ILE CA  . 19036 1 
      640 . 1 1 130 130 ILE CB  C 13  38.748  0.30000 . 1 . . . A 130 ILE CB  . 19036 1 
      641 . 1 1 130 130 ILE N   N 15 127.77   0.30000 . 1 . . . A 130 ILE N   . 19036 1 
      642 . 1 1 131 131 ASP H   H  1   8.3711 0.03000 . 1 . . . A 131 ASP H   . 19036 1 
      643 . 1 1 131 131 ASP HA  H  1   4.4932 0.03000 . 1 . . . A 131 ASP HA  . 19036 1 
      644 . 1 1 131 131 ASP CA  C 13  53.734  0.30000 . 1 . . . A 131 ASP CA  . 19036 1 
      645 . 1 1 131 131 ASP CB  C 13  40.062  0.30000 . 1 . . . A 131 ASP CB  . 19036 1 
      646 . 1 1 131 131 ASP N   N 15 116.68   0.30000 . 1 . . . A 131 ASP N   . 19036 1 
      647 . 1 1 132 132 GLY H   H  1   7.6363 0.03000 . 1 . . . A 132 GLY H   . 19036 1 
      648 . 1 1 132 132 GLY HA2 H  1   3.8380 0.03000 . 2 . . . A 132 GLY HA2 . 19036 1 
      649 . 1 1 132 132 GLY HA3 H  1   4.0038 0.03000 . 2 . . . A 132 GLY HA3 . 19036 1 
      650 . 1 1 132 132 GLY CA  C 13  47.587  0.30000 . 1 . . . A 132 GLY CA  . 19036 1 
      651 . 1 1 132 132 GLY N   N 15 108.68   0.30000 . 1 . . . A 132 GLY N   . 19036 1 
      652 . 1 1 133 133 ASP H   H  1   8.3782 0.03000 . 1 . . . A 133 ASP H   . 19036 1 
      653 . 1 1 133 133 ASP HA  H  1   4.5300 0.03000 . 1 . . . A 133 ASP HA  . 19036 1 
      654 . 1 1 133 133 ASP CA  C 13  53.845  0.30000 . 1 . . . A 133 ASP CA  . 19036 1 
      655 . 1 1 133 133 ASP CB  C 13  40.322  0.30000 . 1 . . . A 133 ASP CB  . 19036 1 
      656 . 1 1 133 133 ASP N   N 15 120.93   0.30000 . 1 . . . A 133 ASP N   . 19036 1 
      657 . 1 1 134 134 GLY H   H  1  10.401  0.03000 . 1 . . . A 134 GLY H   . 19036 1 
      658 . 1 1 134 134 GLY HA2 H  1   3.4430 0.03000 . 2 . . . A 134 GLY HA2 . 19036 1 
      659 . 1 1 134 134 GLY HA3 H  1   4.0624 0.03000 . 2 . . . A 134 GLY HA3 . 19036 1 
      660 . 1 1 134 134 GLY CA  C 13  45.855  0.30000 . 1 . . . A 134 GLY CA  . 19036 1 
      661 . 1 1 134 134 GLY N   N 15 112.99   0.30000 . 1 . . . A 134 GLY N   . 19036 1 
      662 . 1 1 135 135 GLN H   H  1   8.0067 0.03000 . 1 . . . A 135 GLN H   . 19036 1 
      663 . 1 1 135 135 GLN HA  H  1   4.8868 0.03000 . 1 . . . A 135 GLN HA  . 19036 1 
      664 . 1 1 135 135 GLN CA  C 13  53.289  0.30000 . 1 . . . A 135 GLN CA  . 19036 1 
      665 . 1 1 135 135 GLN CB  C 13  32.515  0.30000 . 1 . . . A 135 GLN CB  . 19036 1 
      666 . 1 1 135 135 GLN N   N 15 115.49   0.30000 . 1 . . . A 135 GLN N   . 19036 1 
      667 . 1 1 136 136 VAL H   H  1   9.1666 0.03000 . 1 . . . A 136 VAL H   . 19036 1 
      668 . 1 1 136 136 VAL HA  H  1   5.2134 0.03000 . 1 . . . A 136 VAL HA  . 19036 1 
      669 . 1 1 136 136 VAL CA  C 13  61.784  0.30000 . 1 . . . A 136 VAL CA  . 19036 1 
      670 . 1 1 136 136 VAL CB  C 13  33.839  0.30000 . 1 . . . A 136 VAL CB  . 19036 1 
      671 . 1 1 136 136 VAL N   N 15 125.48   0.30000 . 1 . . . A 136 VAL N   . 19036 1 
      672 . 1 1 137 137 ASN H   H  1   9.5758 0.03000 . 1 . . . A 137 ASN H   . 19036 1 
      673 . 1 1 137 137 ASN HA  H  1   5.2880 0.03000 . 1 . . . A 137 ASN HA  . 19036 1 
      674 . 1 1 137 137 ASN CA  C 13  51.176  0.30000 . 1 . . . A 137 ASN CA  . 19036 1 
      675 . 1 1 137 137 ASN CB  C 13  38.446  0.30000 . 1 . . . A 137 ASN CB  . 19036 1 
      676 . 1 1 137 137 ASN N   N 15 129.14   0.30000 . 1 . . . A 137 ASN N   . 19036 1 
      677 . 1 1 138 138 TYR H   H  1   8.4641 0.03000 . 1 . . . A 138 TYR H   . 19036 1 
      678 . 1 1 138 138 TYR HA  H  1   3.4563 0.03000 . 1 . . . A 138 TYR HA  . 19036 1 
      679 . 1 1 138 138 TYR CA  C 13  62.842  0.30000 . 1 . . . A 138 TYR CA  . 19036 1 
      680 . 1 1 138 138 TYR CB  C 13  37.805  0.30000 . 1 . . . A 138 TYR CB  . 19036 1 
      681 . 1 1 138 138 TYR N   N 15 118.60   0.30000 . 1 . . . A 138 TYR N   . 19036 1 
      682 . 1 1 139 139 GLU H   H  1   8.1521 0.03000 . 1 . . . A 139 GLU H   . 19036 1 
      683 . 1 1 139 139 GLU HA  H  1   3.6860 0.03000 . 1 . . . A 139 GLU HA  . 19036 1 
      684 . 1 1 139 139 GLU CA  C 13  60.456  0.30000 . 1 . . . A 139 GLU CA  . 19036 1 
      685 . 1 1 139 139 GLU CB  C 13  29.008  0.30000 . 1 . . . A 139 GLU CB  . 19036 1 
      686 . 1 1 139 139 GLU N   N 15 118.47   0.30000 . 1 . . . A 139 GLU N   . 19036 1 
      687 . 1 1 140 140 GLU H   H  1   8.8145 0.03000 . 1 . . . A 140 GLU H   . 19036 1 
      688 . 1 1 140 140 GLU HA  H  1   4.0253 0.03000 . 1 . . . A 140 GLU HA  . 19036 1 
      689 . 1 1 140 140 GLU CA  C 13  58.655  0.30000 . 1 . . . A 140 GLU CA  . 19036 1 
      690 . 1 1 140 140 GLU CB  C 13  29.868  0.30000 . 1 . . . A 140 GLU CB  . 19036 1 
      691 . 1 1 140 140 GLU N   N 15 119.97   0.30000 . 1 . . . A 140 GLU N   . 19036 1 
      692 . 1 1 141 141 PHE H   H  1   8.9271 0.03000 . 1 . . . A 141 PHE H   . 19036 1 
      693 . 1 1 141 141 PHE HA  H  1   4.0000 0.03000 . 1 . . . A 141 PHE HA  . 19036 1 
      694 . 1 1 141 141 PHE CA  C 13  61.733  0.30000 . 1 . . . A 141 PHE CA  . 19036 1 
      695 . 1 1 141 141 PHE CB  C 13  40.089  0.30000 . 1 . . . A 141 PHE CB  . 19036 1 
      696 . 1 1 141 141 PHE N   N 15 124.86   0.30000 . 1 . . . A 141 PHE N   . 19036 1 
      697 . 1 1 142 142 VAL H   H  1   8.6353 0.03000 . 1 . . . A 142 VAL H   . 19036 1 
      698 . 1 1 142 142 VAL HA  H  1   3.1520 0.03000 . 1 . . . A 142 VAL HA  . 19036 1 
      699 . 1 1 142 142 VAL CA  C 13  67.139  0.30000 . 1 . . . A 142 VAL CA  . 19036 1 
      700 . 1 1 142 142 VAL CB  C 13  31.622  0.30000 . 1 . . . A 142 VAL CB  . 19036 1 
      701 . 1 1 142 142 VAL N   N 15 119.40   0.30000 . 1 . . . A 142 VAL N   . 19036 1 
      702 . 1 1 143 143 GLN H   H  1   7.5160 0.03000 . 1 . . . A 143 GLN H   . 19036 1 
      703 . 1 1 143 143 GLN HA  H  1   3.9019 0.03000 . 1 . . . A 143 GLN HA  . 19036 1 
      704 . 1 1 143 143 GLN CA  C 13  58.894  0.30000 . 1 . . . A 143 GLN CA  . 19036 1 
      705 . 1 1 143 143 GLN CB  C 13  28.186  0.30000 . 1 . . . A 143 GLN CB  . 19036 1 
      706 . 1 1 143 143 GLN N   N 15 118.42   0.30000 . 1 . . . A 143 GLN N   . 19036 1 
      707 . 1 1 144 144 MET H   H  1   7.8674 0.03000 . 1 . . . A 144 MET H   . 19036 1 
      708 . 1 1 144 144 MET HA  H  1   4.1129 0.03000 . 1 . . . A 144 MET HA  . 19036 1 
      709 . 1 1 144 144 MET CA  C 13  58.360  0.30000 . 1 . . . A 144 MET CA  . 19036 1 
      710 . 1 1 144 144 MET CB  C 13  33.188  0.30000 . 1 . . . A 144 MET CB  . 19036 1 
      711 . 1 1 144 144 MET N   N 15 119.41   0.30000 . 1 . . . A 144 MET N   . 19036 1 
      712 . 1 1 145 145 MET H   H  1   7.7956 0.03000 . 1 . . . A 145 MET H   . 19036 1 
      713 . 1 1 145 145 MET HA  H  1   4.2635 0.03000 . 1 . . . A 145 MET HA  . 19036 1 
      714 . 1 1 145 145 MET CA  C 13  55.607  0.30000 . 1 . . . A 145 MET CA  . 19036 1 
      715 . 1 1 145 145 MET CB  C 13  32.224  0.30000 . 1 . . . A 145 MET CB  . 19036 1 
      716 . 1 1 145 145 MET N   N 15 114.77   0.30000 . 1 . . . A 145 MET N   . 19036 1 
      717 . 1 1 146 146 THR H   H  1   7.5911 0.03000 . 1 . . . A 146 THR H   . 19036 1 
      718 . 1 1 146 146 THR HA  H  1   4.3251 0.03000 . 1 . . . A 146 THR HA  . 19036 1 
      719 . 1 1 146 146 THR CA  C 13  62.420  0.30000 . 1 . . . A 146 THR CA  . 19036 1 
      720 . 1 1 146 146 THR CB  C 13  70.327  0.30000 . 1 . . . A 146 THR CB  . 19036 1 
      721 . 1 1 146 146 THR N   N 15 111.50   0.30000 . 1 . . . A 146 THR N   . 19036 1 
      722 . 1 1 147 147 ALA H   H  1   7.8266 0.03000 . 1 . . . A 147 ALA H   . 19036 1 
      723 . 1 1 147 147 ALA HA  H  1   4.3192 0.03000 . 1 . . . A 147 ALA HA  . 19036 1 
      724 . 1 1 147 147 ALA CA  C 13  52.991  0.30000 . 1 . . . A 147 ALA CA  . 19036 1 
      725 . 1 1 147 147 ALA CB  C 13  19.162  0.30000 . 1 . . . A 147 ALA CB  . 19036 1 
      726 . 1 1 147 147 ALA N   N 15 127.11   0.30000 . 1 . . . A 147 ALA N   . 19036 1 
      727 . 1 1 148 148 LYS H   H  1   7.8559 0.03000 . 1 . . . A 148 LYS H   . 19036 1 
      728 . 1 1 148 148 LYS HA  H  1   4.1595 0.03000 . 1 . . . A 148 LYS HA  . 19036 1 
      729 . 1 1 148 148 LYS CA  C 13  57.542  0.30000 . 1 . . . A 148 LYS CA  . 19036 1 
      730 . 1 1 148 148 LYS CB  C 13  33.828  0.30000 . 1 . . . A 148 LYS CB  . 19036 1 
      731 . 1 1 148 148 LYS N   N 15 125.92   0.30000 . 1 . . . A 148 LYS N   . 19036 1 
      732 . 2 2   1   1 MET H   H  1   8.8539 0.03000 . 1 . . . . 201 MET H   . 19036 1 
      733 . 2 2   1   1 MET HA  H  1   4.2770 0.03000 . 1 . . . . 201 MET HA  . 19036 1 
      734 . 2 2   1   1 MET CA  C 13  57.995  0.30000 . 1 . . . . 201 MET CA  . 19036 1 
      735 . 2 2   1   1 MET CB  C 13  33.086  0.30000 . 1 . . . . 201 MET CB  . 19036 1 
      736 . 2 2   1   1 MET N   N 15 126.64   0.30000 . 1 . . . . 201 MET N   . 19036 1 
      737 . 2 2   2   2 ASP H   H  1   8.7939 0.03000 . 1 . . . . 202 ASP H   . 19036 1 
      738 . 2 2   2   2 ASP HA  H  1   4.3000 0.03000 . 1 . . . . 202 ASP HA  . 19036 1 
      739 . 2 2   3   3 VAL H   H  1   7.7081 0.03000 . 1 . . . . 203 VAL H   . 19036 1 
      740 . 2 2   3   3 VAL HA  H  1   3.7090 0.03000 . 1 . . . . 203 VAL HA  . 19036 1 
      741 . 2 2   3   3 VAL CA  C 13  65.391  0.30000 . 1 . . . . 203 VAL CA  . 19036 1 
      742 . 2 2   3   3 VAL CB  C 13  32.060  0.30000 . 1 . . . . 203 VAL CB  . 19036 1 
      743 . 2 2   3   3 VAL N   N 15 120.16   0.30000 . 1 . . . . 203 VAL N   . 19036 1 
      744 . 2 2   4   4 PHE H   H  1   7.9138 0.03000 . 1 . . . . 204 PHE H   . 19036 1 
      745 . 2 2   4   4 PHE HA  H  1   4.3960 0.03000 . 1 . . . . 204 PHE HA  . 19036 1 
      746 . 2 2   4   4 PHE CA  C 13  60.690  0.30000 . 1 . . . . 204 PHE CA  . 19036 1 
      747 . 2 2   4   4 PHE CB  C 13  39.520  0.30000 . 1 . . . . 204 PHE CB  . 19036 1 
      748 . 2 2   4   4 PHE N   N 15 120.15   0.30000 . 1 . . . . 204 PHE N   . 19036 1 
      749 . 2 2   5   5 MET H   H  1   8.2888 0.03000 . 1 . . . . 205 MET H   . 19036 1 
      750 . 2 2   5   5 MET HA  H  1   4.2650 0.03000 . 1 . . . . 205 MET HA  . 19036 1 
      751 . 2 2   5   5 MET CA  C 13  57.317  0.30000 . 1 . . . . 205 MET CA  . 19036 1 
      752 . 2 2   5   5 MET CB  C 13  32.545  0.30000 . 1 . . . . 205 MET CB  . 19036 1 
      753 . 2 2   5   5 MET N   N 15 116.99   0.30000 . 1 . . . . 205 MET N   . 19036 1 
      754 . 2 2   6   6 LYS H   H  1   8.1390 0.03000 . 1 . . . . 206 LYS H   . 19036 1 
      755 . 2 2   6   6 LYS HA  H  1   4.1300 0.03000 . 1 . . . . 206 LYS HA  . 19036 1 
      756 . 2 2   7   7 GLY H   H  1   8.2807 0.03000 . 1 . . . . 207 GLY H   . 19036 1 
      757 . 2 2   7   7 GLY HA2 H  1   3.8890 0.03000 . 2 . . . . 207 GLY HA2 . 19036 1 
      758 . 2 2   7   7 GLY HA3 H  1   3.8430 0.03000 . 2 . . . . 207 GLY HA3 . 19036 1 
      759 . 2 2   7   7 GLY CA  C 13  46.852  0.30000 . 1 . . . . 207 GLY CA  . 19036 1 
      760 . 2 2   7   7 GLY N   N 15 107.76   0.30000 . 1 . . . . 207 GLY N   . 19036 1 
      761 . 2 2   8   8 LEU H   H  1   7.9918 0.03000 . 1 . . . . 208 LEU H   . 19036 1 
      762 . 2 2   8   8 LEU HA  H  1   4.1580 0.03000 . 1 . . . . 208 LEU HA  . 19036 1 
      763 . 2 2   8   8 LEU CA  C 13  57.048  0.30000 . 1 . . . . 208 LEU CA  . 19036 1 
      764 . 2 2   8   8 LEU CB  C 13  42.228  0.30000 . 1 . . . . 208 LEU CB  . 19036 1 
      765 . 2 2   8   8 LEU N   N 15 121.18   0.30000 . 1 . . . . 208 LEU N   . 19036 1 
      766 . 2 2  10  10 LYS H   H  1   8.1100 0.03000 . 1 . . . . 210 LYS H   . 19036 1 
      767 . 2 2  10  10 LYS HA  H  1   4.2100 0.03000 . 1 . . . . 210 LYS HA  . 19036 1 
      768 . 2 2  11  11 ALA H   H  1   8.2126 0.03000 . 1 . . . . 211 ALA H   . 19036 1 
      769 . 2 2  11  11 ALA HA  H  1   4.2210 0.03000 . 1 . . . . 211 ALA HA  . 19036 1 
      770 . 2 2  11  11 ALA CA  C 13  54.124  0.30000 . 1 . . . . 211 ALA CA  . 19036 1 
      771 . 2 2  11  11 ALA CB  C 13  19.048  0.30000 . 1 . . . . 211 ALA CB  . 19036 1 
      772 . 2 2  11  11 ALA N   N 15 123.23   0.30000 . 1 . . . . 211 ALA N   . 19036 1 
      773 . 2 2  12  12 LYS H   H  1   8.1100 0.03000 . 1 . . . . 212 LYS H   . 19036 1 
      774 . 2 2  12  12 LYS HA  H  1   4.1270 0.03000 . 1 . . . . 212 LYS HA  . 19036 1 
      775 . 2 2  13  13 GLU H   H  1   8.1200 0.03000 . 1 . . . . 213 GLU H   . 19036 1 
      776 . 2 2  13  13 GLU HA  H  1   4.1900 0.03000 . 1 . . . . 213 GLU HA  . 19036 1 
      777 . 2 2  14  14 GLY H   H  1   8.3511 0.03000 . 1 . . . . 214 GLY H   . 19036 1 
      778 . 2 2  14  14 GLY HA2 H  1   3.9530 0.03000 . 2 . . . . 214 GLY HA2 . 19036 1 
      779 . 2 2  14  14 GLY HA3 H  1   3.9530 0.03000 . 2 . . . . 214 GLY HA3 . 19036 1 
      780 . 2 2  14  14 GLY CA  C 13  46.143  0.30000 . 1 . . . . 214 GLY CA  . 19036 1 
      781 . 2 2  14  14 GLY N   N 15 108.55   0.30000 . 1 . . . . 214 GLY N   . 19036 1 
      782 . 2 2  15  15 VAL H   H  1   7.9169 0.03000 . 1 . . . . 215 VAL H   . 19036 1 
      783 . 2 2  15  15 VAL HA  H  1   4.0120 0.03000 . 1 . . . . 215 VAL HA  . 19036 1 
      784 . 2 2  15  15 VAL CA  C 13  63.957  0.30000 . 1 . . . . 215 VAL CA  . 19036 1 
      785 . 2 2  15  15 VAL CB  C 13  32.492  0.30000 . 1 . . . . 215 VAL CB  . 19036 1 
      786 . 2 2  15  15 VAL N   N 15 120.05   0.30000 . 1 . . . . 215 VAL N   . 19036 1 
      787 . 2 2  16  16 VAL H   H  1   8.0178 0.03000 . 1 . . . . 216 VAL H   . 19036 1 
      788 . 2 2  16  16 VAL HA  H  1   3.9500 0.03000 . 1 . . . . 216 VAL HA  . 19036 1 
      789 . 2 2  16  16 VAL CA  C 13  63.749  0.30000 . 1 . . . . 216 VAL CA  . 19036 1 
      790 . 2 2  16  16 VAL CB  C 13  32.488  0.30000 . 1 . . . . 216 VAL CB  . 19036 1 
      791 . 2 2  16  16 VAL N   N 15 121.98   0.30000 . 1 . . . . 216 VAL N   . 19036 1 
      792 . 2 2  17  17 ALA H   H  1   8.1763 0.03000 . 1 . . . . 217 ALA H   . 19036 1 
      793 . 2 2  17  17 ALA HA  H  1   4.2510 0.03000 . 1 . . . . 217 ALA HA  . 19036 1 
      794 . 2 2  17  17 ALA CA  C 13  53.182  0.30000 . 1 . . . . 217 ALA CA  . 19036 1 
      795 . 2 2  17  17 ALA CB  C 13  19.157  0.30000 . 1 . . . . 217 ALA CB  . 19036 1 
      796 . 2 2  17  17 ALA N   N 15 123.23   0.30000 . 1 . . . . 217 ALA N   . 19036 1 
      797 . 2 2  18  18 ALA H   H  1   8.0436 0.03000 . 1 . . . . 218 ALA H   . 19036 1 
      798 . 2 2  18  18 ALA HA  H  1   4.2540 0.03000 . 1 . . . . 218 ALA HA  . 19036 1 
      799 . 2 2  18  18 ALA CA  C 13  53.046  0.30000 . 1 . . . . 218 ALA CA  . 19036 1 
      800 . 2 2  18  18 ALA CB  C 13  19.609  0.30000 . 1 . . . . 218 ALA CB  . 19036 1 
      801 . 2 2  18  18 ALA N   N 15 122.47   0.30000 . 1 . . . . 218 ALA N   . 19036 1 
      802 . 2 2  19  19 ALA H   H  1   8.0591 0.03000 . 1 . . . . 219 ALA H   . 19036 1 
      803 . 2 2  19  19 ALA HA  H  1   4.2410 0.03000 . 1 . . . . 219 ALA HA  . 19036 1 
      804 . 2 2  19  19 ALA CA  C 13  52.654  0.30000 . 1 . . . . 219 ALA CA  . 19036 1 
      805 . 2 2  19  19 ALA CB  C 13  19.247  0.30000 . 1 . . . . 219 ALA CB  . 19036 1 
      806 . 2 2  19  19 ALA N   N 15 122.90   0.30000 . 1 . . . . 219 ALA N   . 19036 1 

   stop_

save_