data_15496 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15496 _Entry.Title ; Backbone chemical shift assignment of a glutamate receptor ligand binding domain in complexes with five partial agonists ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-27 _Entry.Accession_date 2007-09-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _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 Michael Fenwick . K. . 15496 2 Robert Oswald . E. . 15496 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15496 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 509 15496 '15N chemical shifts' 250 15496 '1H chemical shifts' 250 15496 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 . . 2009-08-12 2007-09-27 update BMRB 'added PubMed ID' 15496 1 . . 2008-01-25 2007-09-27 original author 'original release' 15496 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15492 willardiine-S1S2 15496 BMRB 15493 fluorowillardiine-S1S2 15496 BMRB 15494 bromowillardiine-S1S2 15496 BMRB 15495 iodowillardiine-S1S2 15496 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15496 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636875 _Citation.Full_citation . _Citation.Title 'Backbone chemical shift assignment of a glutamate receptor ligand binding domain in complexes with five partial agonists' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 2 _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 241 _Citation.Page_last 243 _Citation.Year 2007 _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 Michael Fenwick . K. . 15496 1 2 Robert Oswald . E. . 15496 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'chemical shift' 15496 1 'glutamate receptor' 15496 1 'ion channel' 15496 1 'partial agonist' 15496 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15496 _Assembly.ID 1 _Assembly.Name kainate-S1S2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 S1S2 1 $S1S2 A . yes native no no . . . 15496 1 2 kainate 2 $KAI B . no native no yes . . . 15496 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 206 206 SG . 1 . 1 CYS 261 261 SG . . . . . . . . . . 15496 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 1FW0 . . X-ray . . . 15496 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_S1S2 _Entity.Sf_category entity _Entity.Sf_framecode S1S2 _Entity.Entry_ID 15496 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S1S2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GANKTVVVTTILESPYVMMK KNHEMLEGNERYEGYCVDLA AEIAKHCGFKYKLTIVGDGK YGARDADTKIWNGMVGELVY GKADIAIAPLTITLVREEVI DFSKPFMSLGISIMIKKGTP IESAEDLSKQTEIAYGTLDS GSTKEFFRRSKIAVFDKMWT YMRSAEPSVFVRTTAEGVAR VRKSKGKYAYLLESTMNEYI EQRKPCDTMKVGGNLDSKGY GIATPKGSSLGNAVNLAVLK LNEQGLLDKLKNKWWYDKGE CGS ; _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 263 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 15492 . S1S2 . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 2 no BMRB 15493 . S1S2 . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 3 no BMRB 15494 . S1S2 . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 4 no BMRB 15495 . S1S2 . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 5 no PDB 1FTJ . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Glutamate At 1.9 Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 6 no PDB 1FTK . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2i) In Complex With Kainate At 1.6 A Resolution" . . . . . 100.76 279 98.11 98.11 0.00e+00 . . . . 15496 1 7 no PDB 1FTL . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With The Antagonist Dnqx At 1.8 A Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 8 no PDB 1FTM . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Ampa At 1.7 Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 9 no PDB 1FTO . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In The Apo State At 2.0 A Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 10 no PDB 1FW0 . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Kainate At 2.0 A Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 11 no PDB 1GR2 . "Structure Of A Glutamate Receptor Ligand Binding Core (Glur2) Complexed With Kainate" . . . . . 100.76 279 98.11 98.11 0.00e+00 . . . . 15496 1 12 no PDB 1LB8 . "Crystal Structure Of The Non-Desensitizing Glur2 Ligand Binding Core Mutant (S1s2j-L483y) In Complex With Ampa At 2.3 Resolutio" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 15496 1 13 no PDB 1LB9 . "Crystal Structure Of The Non-Desensitizing Glur2 Ligand Binding Core Mutant (S1s2j-L483y) In Complex With Antagonist Dnqx At 2." . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 15496 1 14 no PDB 1LBB . "Crystal Structure Of The Glur2 Ligand Binding Domain Mutant (s1s2j-n754d) In Complex With Kainate At 2.1 A Resolution" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 15 no PDB 1LBC . "Crystal Structure Of Glur2 Ligand Binding Core (S1s2j- N775s) In Complex With Cyclothiazide (Ctz) As Well As Glutamate At 1.8 A" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 16 no PDB 1M5B . "X-Ray Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With 2-Me-Tet-Ampa At 1.85 A Resolution." . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 17 no PDB 1M5C . "X-ray Structure Of The Glur2 Ligand Binding Core (s1s2j) In Complex With Br-hibo At 1.65 A Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 18 no PDB 1M5D . "X-ray Structure Of The Glur2 Ligand Binding Core (s1s2j-y702f) In Complex With Br-hibo At 1.73 A Resolution" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 19 no PDB 1M5E . "X-Ray Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Acpa At 1.46 A Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 20 no PDB 1M5F . "X-ray Structure Of The Glur2 Ligand Binding Core (s1s2j- Y702f) In Complex With Acpa At 1.95 A Resolution" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 21 no PDB 1MM6 . "Crystal Structure Of The Glur2 Ligand Binding Core (s1s2j) In Complex With Quisqualate In A Non Zinc Crystal Form At 2.15 Angst" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 22 no PDB 1MM7 . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Quisqualate In A Zinc Crystal Form At 1.65 Angstroms" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 23 no PDB 1MQD . "X-Ray Structure Of The Glur2 Ligand-Binding Core (S1s2j) In Complex With (S)-Des-Me-Ampa At 1.46 A Resolution. Crystallization " . . . . . 99.24 261 100.00 100.00 0.00e+00 . . . . 15496 1 24 no PDB 1MQG . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Iodo-Willardiine At 2.15 Angstroms Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 25 no PDB 1MQH . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Bromo-Willardiine At 1.8 Angstroms Resolution" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 15496 1 26 no PDB 1MQI . "Crystal Structure Of The Glur2 Ligand Binding Core (s1s2j) In Complex With Fluoro-willardiine At 1.35 Angstroms Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 27 no PDB 1MQJ . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Willardiine At 1.65 Angstroms Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 28 no PDB 1MS7 . "X-Ray Structure Of The Glur2 Ligand-Binding Core (S1s2j) In Complex With (S)-Des-Me-Ampa At 1.97 A Resolution, Crystallization " . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 29 no PDB 1MXU . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Bromo-Willardiine (Control For The Crystal Titration" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 30 no PDB 1MXV . "Crystal Titration Experiments (Ampa Co-Crystals Soaked In 10 Mm Brw)" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 31 no PDB 1MXW . "Crystal Titration Experiments (ampa Co-crystals Soaked In 1 Mm Brw)" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 32 no PDB 1MXX . "Crystal Titration Experiments (Ampa Co-Crystals Soaked In 100 Um Brw)" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 33 no PDB 1MXY . "Crystal Titration Experiments (ampa Co-crystals Soaked In 10 Um Brw)" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 34 no PDB 1MXZ . "Crystal Titration Experiments (ampa Co-crystals Soaked In 1 Um Brw)" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 35 no PDB 1MY0 . "Crystal Titration Experiments (Ampa Co-Crystals Soaked In 100 Nm Brw)" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 36 no PDB 1MY1 . "Crystal Titration Experiments (Ampa Co-Crystals Soaked In 10 Nm Brw)" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 37 no PDB 1MY2 . "Crystal Titration Experiment (ampa Complex Control)" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 38 no PDB 1MY3 . "Crystal Structure Of Glutamate Receptor Ligand-Binding Core In Complex With Bromo-Willardiine In The Zn Crystal Form" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 39 no PDB 1MY4 . "Crystal Structure Of Glutamate Receptor Ligand-Binding Core In Complex With Iodo-Willardiine In The Zn Crystal Form" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 40 no PDB 1N0T . "X-Ray Structure Of The Glur2 Ligand-Binding Core (S1s2j) In Complex With The Antagonist (S)-Atpo At 2.1 A Resolution." . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 41 no PDB 1NNK . "X-Ray Structure Of The Glur2 Ligand-Binding Core (S1s2j) In Complex With (S)-Atpa At 1.85 A Resolution. Crystallization With Zi" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 42 no PDB 1NNP . "X-Ray Structure Of The Glur2 Ligand-Binding Core (S1s2j) In Complex With (S)-Atpa At 1.9 A Resolution. Crystallization Without " . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 43 no PDB 1P1N . "Glur2 Ligand Binding Core (S1s2j) Mutant L650t In Complex With Kainate" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 15496 1 44 no PDB 1P1O . "Crystal Structure Of The Glur2 Ligand-Binding Core (S1s2j) Mutant L650t In Complex With Quisqualate" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 15496 1 45 no PDB 1P1Q . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) L650t Mutant In Complex With Ampa" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 15496 1 46 no PDB 1P1U . "Crystal Structure Of The Glur2 Ligand-Binding Core (S1s2j) L650t Mutant In Complex With Ampa (Ammonium Sulfate Crystal Form)" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 15496 1 47 no PDB 1P1W . "Crystal Structure Of The Glur2 Ligand-Binding Core (S1s2j) With The L483y And L650t Mutations And In Complex With Ampa" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 15496 1 48 no PDB 1SYH . "X-ray Structure Of The Glur2 Ligand-binding Core (s1s2j) In Complex With (s)-cpw399 At 1.85 A Resolution." . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 49 no PDB 1SYI . "X-Ray Structure Of The Y702f Mutant Of The Glur2 Ligand- Binding Core (S1s2j) In Complex With (S)-Cpw399 At 2.1 A Resolution." . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 50 no PDB 1WVJ . "Exploring The Glur2 Ligand-Binding Core In Complex With The Bicyclic Ampa Analogue (S)-4-Ahcp" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 51 no PDB 1XHY . "X-ray Structure Of The Y702f Mutant Of The Glur2 Ligand-binding Core (s1s2j) In Complex With Kainate At 1.85 A Resolution" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 52 no PDB 2AIX . "X-Ray Structure Of The Glur2 Ligand-Binding Core (S1s2j) In Complex With (S)-Thio-Atpa At 2.2 A Resolution." . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 53 no PDB 2AL4 . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Quisqualate And Cx614." . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 54 no PDB 2AL5 . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Fluoro-Willardiine And Aniracetam" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 55 no PDB 2ANJ . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j- Y450w) Mutant In Complex With The Partial Agonist Kainic Acid At 2.1" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 56 no PDB 2CMO . "The Structure Of A Mixed Glur2 Ligand-Binding Core Dimer In Complex With (S)-Glutamate And The Antagonist (S)-Ns1209" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 57 no PDB 2GFE . "Crystal Structure Of The Glur2 A476e S673d Ligand Binding Core Mutant At 1.54 Angstroms Resolution" . . . . . 99.62 262 99.24 99.24 0.00e+00 . . . . 15496 1 58 no PDB 2I3V . "Measurement Of Conformational Changes Accompanying Desensitization In An Ionotropic Glutamate Receptor: Structure Of G725c Muta" . . . . . 98.48 259 99.61 99.61 0.00e+00 . . . . 15496 1 59 no PDB 2I3W . "Measurement Of Conformational Changes Accompanying Desensitization In An Ionotropic Glutamate Receptor: Structure Of S729c Muta" . . . . . 98.48 259 99.61 99.61 0.00e+00 . . . . 15496 1 60 no PDB 2P2A . "X-Ray Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With 2-Bn-Tet-Ampa At 2.26a Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 61 no PDB 2UXA . "Crystal Structure Of The Glur2-Flip Ligand Binding Domain, RG UNEDITED" . . . . . 98.86 261 98.08 98.85 0.00e+00 . . . . 15496 1 62 no PDB 2XHD . "Crystal Structure Of N-((2s)-5-(6-Fluoro-3-Pyridinyl)-2,3- Dihydro-1h-Inden-2-Yl)-2-Propanesulfonamide In Complex With The Liga" . . . . . 100.00 263 97.72 98.86 0.00e+00 . . . . 15496 1 63 no PDB 2XX7 . "Crystal Structure Of 1-(4-(1-Pyrrolidinylcarbonyl)phenyl)-3- (Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazole In Complex With T" . . . . . 99.62 291 99.62 100.00 0.00e+00 . . . . 15496 1 64 no PDB 2XX8 . "Crystal Structure Of N,N-Dimethyl-4-(3-(Trifluoromethyl)-4, 5,6,7-Tetrahydro-1h-Indazol-1-Yl)benzamide In Complex With The Liga" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 65 no PDB 2XX9 . "Crystal Structure Of 1-((2-Fluoro-4-(3-(Trifluoromethyl)-4,5,6,7- Tetrahydro-1h-Indazol-1-Yl)phenyl)methyl)-2-Pyrrolidinone In " . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 66 no PDB 2XXH . "Crystal Structure Of 1-(4-(2-Oxo-2-(1-Pyrrolidinyl)ethyl)phenyl)-3- (Trifluoromethyl)-4,5,6,7-Tetrahydro-1h-Indazole In Complex" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 67 no PDB 2XXI . "Crystal Structure Of 1-((4-(3-(Trifluoromethyl)-6,7-Dihydropyrano(4,3 -C(Pyrazol-1(4h)-Yl)phenyl)methyl)-2-Pyrrolidinone In Com" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 68 no PDB 3B6Q . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) Mutant T686a In Complex With Glutamate At 2.0 Resolution" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 15496 1 69 no PDB 3B6T . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) T686a Mutant In Complex With Quisqualate At 2.1 Resolution" . . . . . 100.00 263 99.62 99.62 0.00e+00 . . . . 15496 1 70 no PDB 3B6W . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) T686s Mutant In Complex With Glutamate At 1.7 Resolution" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 71 no PDB 3B7D . "Crystal Structure Of The Glur2 Ligand Binding Core (Hs1s2j) In Complex With Cnqx At 2.5 A Resolution" . . . . . 99.24 261 100.00 100.00 0.00e+00 . . . . 15496 1 72 no PDB 3BBR . "Crystal Structure Of The Iglur2 Ligand Binding Core (S1s2j-N775s) In Complex With A Dimeric Positive Modulator As Well As Gluta" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 73 no PDB 3BFT . "Structure Of The Ligand-binding Core Of Glur2 In Complex With The Agonist (s)-tdpa At 2.25 A Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 74 no PDB 3BFU . "Structure Of The Ligand-Binding Core Of Glur2 In Complex With The Agonist (R)-Tdpa At 1.95 A Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 75 no PDB 3BKI . "Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Fqx At 1.87 Angstroms" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 76 no PDB 3DP6 . "Crystal Structure Of The Binding Domain Of The Ampa Subunit Glur2 Bound To Glutamate" . . . . . 100.00 279 100.00 100.00 0.00e+00 . . . . 15496 1 77 no PDB 3H03 . "Crystal Structure Of The Binding Domain Of The Ampa Subunit Glur2 Bound To Ubp277" . . . . . 98.10 258 100.00 100.00 0.00e+00 . . . . 15496 1 78 no PDB 3H06 . "Crystal Structure Of The Binding Domain Of The Ampa Subunit Glur2 Bound To The Willardiine Antagonist, Ubp282" . . . . . 98.10 258 100.00 100.00 0.00e+00 . . . . 15496 1 79 no PDB 3H6T . "Crystal Structure Of The Iglur2 Ligand-Binding Core (S1s2j-N754s) In Complex With Glutamate And Cyclothiazide At 2.25 A Resolut" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 80 no PDB 3H6U . "Crystal Structure Of The Iglur2 Ligand-binding Core (s1s2j-n754s) In Complex With Glutamate And Ns1493 At 1.85 A Resolution" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 81 no PDB 3H6V . "Crystal Structure Of The Iglur2 Ligand-Binding Core (S1s2j-N754s) In Complex With Glutamate And Ns5206 At 2.10 A Resolution" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 82 no PDB 3H6W . "Crystal Structure Of The Iglur2 Ligand-Binding Core (S1s2j-N754s) In Complex With Glutamate And Ns5217 At 1.50 A Resolution" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 83 no PDB 3IJO . "Crystal Structure Of The Ampa Subunit Glur2 Bound To The Allosteric Modulator, Althiazide" . . . . . 98.10 258 99.61 100.00 0.00e+00 . . . . 15496 1 84 no PDB 3IJX . "Crystal Structure Of The Ampa Subunit Glur2 Bound To The Allosteric Modulator, Hydrochlorothiazide" . . . . . 98.10 258 99.61 100.00 0.00e+00 . . . . 15496 1 85 no PDB 3IK6 . "Crystal Structure Of The Ampa Subunit Glur2 Bound To The Allosteric Modulator, Chlorothiazide" . . . . . 98.10 258 99.61 100.00 0.00e+00 . . . . 15496 1 86 no PDB 3IL1 . "Crystal Structure Of The Ampa Subunit Glur2 Bound To The Allosteric Modulator, Idra-21" . . . . . 98.10 258 99.61 100.00 0.00e+00 . . . . 15496 1 87 no PDB 3ILT . "Crystal Structure Of The Ampa Subunit Glur2 Bound To The Allosteric Modulator, Trichlormethiazide" . . . . . 98.10 258 99.61 100.00 0.00e+00 . . . . 15496 1 88 no PDB 3ILU . "Crystal Structure Of The Ampa Subunit Glur2 Bound To The Allosteric Modulator, Hydroflumethiazide" . . . . . 98.10 258 99.61 100.00 0.00e+00 . . . . 15496 1 89 no PDB 3KGC . "Isolated Ligand Binding Domain Dimer Of Glua2 Ionotropic Glutamate Receptor In Complex With Glutamate, Ly 404187 And Zk 200775" . . . . . 100.00 263 99.62 100.00 0.00e+00 . . . . 15496 1 90 no PDB 3LSF . "Piracetam Bound To The Ligand Binding Domain Of Glua2" . . . . . 98.10 258 99.61 100.00 0.00e+00 . . . . 15496 1 91 no PDB 3LSL . "Piracetam Bound To The Ligand Binding Domain Of Glua2 (Flop Form)" . . . . . 98.10 258 100.00 100.00 0.00e+00 . . . . 15496 1 92 no PDB 3M3L . "Pepa Bound To The Ligand Binding Domain Of Glua2 (Flop Form)" . . . . . 98.10 258 100.00 100.00 0.00e+00 . . . . 15496 1 93 no PDB 3O28 . "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" . . . . . 100.00 263 98.48 99.24 0.00e+00 . . . . 15496 1 94 no PDB 3O29 . "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" . . . . . 100.00 263 98.10 99.24 0.00e+00 . . . . 15496 1 95 no PDB 3O2A . "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" . . . . . 100.00 263 98.10 99.24 0.00e+00 . . . . 15496 1 96 no PDB 3O6G . "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" . . . . . 100.00 263 98.10 99.24 0.00e+00 . . . . 15496 1 97 no PDB 3O6H . "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" . . . . . 100.00 263 98.10 99.24 0.00e+00 . . . . 15496 1 98 no PDB 3O6I . "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" . . . . . 100.00 263 98.10 99.24 0.00e+00 . . . . 15496 1 99 no PDB 3PD8 . "X-Ray Structure Of The Ligand-Binding Core Of Glua2 In Complex With (S)-7-Hpca At 2.5 A Resolution" . . . . . 99.24 261 100.00 100.00 0.00e+00 . . . . 15496 1 100 no PDB 3PD9 . "X-Ray Structure Of The Ligand-Binding Core Of Glua2 In Complex With (R)-5-Hpca At 2.1 A Resolution" . . . . . 98.86 260 100.00 100.00 0.00e+00 . . . . 15496 1 101 no PDB 3PMV . "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" . . . . . 100.00 263 98.10 99.24 0.00e+00 . . . . 15496 1 102 no PDB 3PMW . "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" . . . . . 100.00 263 98.10 99.24 0.00e+00 . . . . 15496 1 103 no PDB 3PMX . "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" . . . . . 100.00 263 98.10 99.24 0.00e+00 . . . . 15496 1 104 no PDB 3R7X . "Crystal Structure Analysis Of A Quinazolinedione Sulfonamide Bound To Human Glur2: A Novel Class Of Competitive Ampa Receptor A" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 15496 1 105 no PDB 3RN8 . "Crystal Structure Of Iglur2 Ligand Binding Domain And Symmetrical Carboxyl Containing Potentiator" . . . . . 100.00 280 100.00 100.00 0.00e+00 . . . . 15496 1 106 no PDB 3RNN . "Crystal Structure Of Iglur2 Ligand Binding Domain With Symmetric Sulfonamide Containing Potentiator" . . . . . 100.00 292 100.00 100.00 0.00e+00 . . . . 15496 1 107 no PDB 3RTF . "Chlorowillardiine Bound To The Ligand Binding Domain Of Glua2" . . . . . 98.10 258 100.00 100.00 0.00e+00 . . . . 15496 1 108 no PDB 3RTW . "Nitrowillardiine Bound To The Ligand Binding Domain Of Glua2" . . . . . 98.10 258 100.00 100.00 0.00e+00 . . . . 15496 1 109 no PDB 3T93 . "Glutamate Bound To A Double Cysteine Mutant (A452cS652C) OF THE Ligand Binding Domain Of Glua2" . . . . . 98.10 258 99.22 99.22 0.00e+00 . . . . 15496 1 110 no PDB 3T96 . "Iodowillardiine Bound To A Double Cysteine Mutant (A452cS652C) OF THE Ligand Binding Domain Of Glua2" . . . . . 98.10 258 99.22 99.22 0.00e+00 . . . . 15496 1 111 no PDB 3T9H . "Kainate Bound To A Double Cysteine Mutant (A452cS652C) OF THE LIGAND Binding Domain Of Glua2" . . . . . 98.10 258 99.22 99.22 0.00e+00 . . . . 15496 1 112 no PDB 3T9U . "Cnqx Bound To An Oxidized Double Cysteine Mutant (A452cS652C) OF THE Ligand Binding Domain Of Glua2" . . . . . 98.10 258 99.22 99.22 0.00e+00 . . . . 15496 1 113 no PDB 3T9V . "Cnqx Bound To A Reduced Double Cysteine Mutant (A452cS652C) OF THE Ligand Binding Domain Of Glua2" . . . . . 98.10 258 99.22 99.22 0.00e+00 . . . . 15496 1 114 no PDB 3T9X . "Glutamate Bound To A Double Cysteine Mutant (V484cE657C) OF THE Ligand Binding Domain Of Glua2" . . . . . 98.10 258 99.22 99.22 0.00e+00 . . . . 15496 1 115 no PDB 3TDJ . "Crystal Structure Of The Glua2 Ligand-Binding Domain (S1s2j-L483y- N754s) In Complex With Glutamate And Bpam-97 At 1.95 A Resol" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 15496 1 116 no PDB 3TKD . "Crystal Structure Of The Glua2 Ligand-Binding Domain (S1s2j-L483y- N754s) In Complex With Glutamate And Cyclothiazide At 1.45 A" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 15496 1 117 no PDB 3TZA . "Crystal Structure Of The Glua2 Ligand-binding Domain (s1s2j) In Complex With The Antagonist (s)-2-amino-3-(2-(2-carboxyethyl)-5" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 118 no PDB 3UA8 . "Crystal Structure Analysis Of A 6-Amino Quinazolinedione Sulfonamide Bound To Human Glur2" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 15496 1 119 no PDB 4FAT . "Ligand-Binding Domain Of Glua2 (Flip) Ionotropic Glutamate Receptor In Complex With An Allosteric Modulator" . . . . . 100.00 263 98.10 99.24 0.00e+00 . . . . 15496 1 120 no PDB 4G8M . "Crystal Structure Of The Glua2 Ligand-Binding Domain (S1s2j) In Complex With The Agonist Cbg-Iv At 2.05a Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 121 no PDB 4GXS . "Ligand Binding Domain Of Glua2 (ampa/glutamate Receptor) Bound To (-)- Kaitocephalin" . . . . . 98.10 258 100.00 100.00 0.00e+00 . . . . 15496 1 122 no PDB 4H8J . "Structure Of Glua2-lbd In Complex With Mes" . . . . . 100.00 276 100.00 100.00 0.00e+00 . . . . 15496 1 123 no PDB 4IGT . "Crystal Structure Of The Glua2 Ligand-binding Domain (s1s2j) In Complex With The Agonist Za302 At 1.24a Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 124 no PDB 4ISU . "Crystal Structure Of The Glua2 Ligand-binding Domain (s1s2j) In Complex With The Antagonist (2r)-ikm-159 At 2.3a Resolution." . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 125 no PDB 4IY5 . "Crystal Structure Of The Glua2 Ligand-binding Domain (s1s2j-l483y- N754s) In Complex With Glutamate And Cx516 At 2.0 A Resoluti" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 15496 1 126 no PDB 4IY6 . "Crystal Structure Of The Glua2 Ligand-binding Domain (s1s2j-l483y- N754s) In Complex With Glutamate And Me-cx516 At 1.72 A Reso" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 15496 1 127 no PDB 4L17 . "Glua2-l483y-a665c Ligand-binding Domain In Complex With The Antagonist Dnqx" . . . . . 100.00 263 99.24 99.24 0.00e+00 . . . . 15496 1 128 no PDB 4LZ5 . "Crystal Structures Of Glur2 Ligand-binding-domain In Complex With Glutamate And Positive Allosteric Modulators" . . . . . 100.00 275 100.00 100.00 0.00e+00 . . . . 15496 1 129 no PDB 4LZ7 . "Crystal Structures Of Glur2 Ligand-binding-domain In Complex With Glutamate And Positive Allosteric Modulators" . . . . . 100.00 275 100.00 100.00 0.00e+00 . . . . 15496 1 130 no PDB 4LZ8 . "Crystal Structures Of Glur2 Ligand-binding-domain In Complex With Glutamate And Positive Allosteric Modulators" . . . . . 100.00 275 100.00 100.00 0.00e+00 . . . . 15496 1 131 no PDB 4N07 . "Crystal Structure Of The Glua2 Ligand-binding Domain (s1s2j-l483y- N754s) In Complex With Glutamate And Bpam-344 At 1.87 A Reso" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 15496 1 132 no PDB 4O3A . "Crystal Structure Of The Glua2 Ligand-binding Domain In Complex With L-apartate At 1.80 A Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 133 no PDB 4O3B . "Crystal Structure Of An Open/closed Glua2 Ligand-binding Domain Dimer At 1.91 A Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 134 no PDB 4O3C . "Crystal Structure Of The Glua2 Ligand-binding Domain In Complex With L-apartate At 1.50 A Resolution" . . . . . 100.00 263 100.00 100.00 0.00e+00 . . . . 15496 1 135 no PDB 4Q30 . "Nitrowillardiine Bound To The Ligand Binding Domain Of Glua2 At Ph 3.5" . . . . . 98.10 258 98.45 99.22 0.00e+00 . . . . 15496 1 136 no PDB 4U1O . "Glua2flip Slbd Complexed With Kainate And (r,r)-2b Crystal Form C" . . . . . 100.00 263 98.48 99.24 0.00e+00 . . . . 15496 1 137 no PDB 4U1Z . "Glua2flip Slbd Complexed With Kainate And (r,r)-2b Crystal Form D" . . . . . 100.00 263 98.48 99.24 0.00e+00 . . . . 15496 1 138 no PDB 4U21 . "Glua2flip Slbd Complexed With Fw And (r,r)-2b Crystal Form E" . . . . . 99.62 262 98.47 99.24 0.00e+00 . . . . 15496 1 139 no PDB 4U22 . "Glua2flip Slbd Complexed With Fw And (r,r)-2b Crystal Form D" . . . . . 100.00 263 98.48 99.24 0.00e+00 . . . . 15496 1 140 no PDB 4U23 . "Glua2flip Slbd Complexed With Fw And (r,r)-2b Crystal Form F" . . . . . 100.00 263 98.48 99.24 0.00e+00 . . . . 15496 1 141 no PDB 4U2R . "Crystal Structure Of The Glur2 Ligand Binding Core (s1s2j, Flip Variant) In The Apo State" . . . . . 100.00 263 98.48 99.24 0.00e+00 . . . . 15496 1 142 no PDB 4U4S . "Crystal Structure Of The Glua2 Ligand-binding Domain (s1s2j-l483y- N754s) In Complex With Glutamate And Bpam25 At 1.90 A Resolu" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 15496 1 143 no PDB 4U4X . "Crystal Structure Of The Glua2 Ligand-binding Domain (s1s2j-l483y- N754s) In Complex With Glutamate And Bpam37 At 1.56 A Resolu" . . . . . 100.00 263 99.24 99.62 0.00e+00 . . . . 15496 1 144 no PDB 4X48 . "Crystal Structure Of Glur2 Ligand-binding Core" . . . . . 100.00 275 100.00 100.00 0.00e+00 . . . . 15496 1 145 no PDB 4YMA . "Structure Of The Ligand-binding Domain Of Glua2 In Complex With The Antagonist Cng10109" . . . . . 100.00 264 100.00 100.00 0.00e+00 . . . . 15496 1 146 no GB AAB03114 . "GluR2 flop, partial [Gallus gallus]" . . . . . 55.13 242 97.93 99.31 1.16e-96 . . . . 15496 1 147 no GB ABV25011 . "glutamate receptor ionotropic AMPA2 [Aspidoscelis inornata]" . . . . . 54.75 224 97.92 99.31 8.32e-96 . . . . 15496 1 148 no GB EAX04871 . "glutamate receptor, ionotropic, AMPA 2, isoform CRA_g [Homo sapiens]" . . . . . 100.76 803 97.36 97.74 4.93e-179 . . . . 15496 1 149 no REF XP_010160138 . "PREDICTED: glutamate receptor 2 isoform X2 [Eurypyga helias]" . . . . . 55.13 234 97.93 99.31 8.82e-97 . . . . 15496 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Glutamate receptor ligand binding domain' 15496 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 . GLY . 15496 1 2 . ALA . 15496 1 3 . ASN . 15496 1 4 . LYS . 15496 1 5 . THR . 15496 1 6 . VAL . 15496 1 7 . VAL . 15496 1 8 . VAL . 15496 1 9 . THR . 15496 1 10 . THR . 15496 1 11 . ILE . 15496 1 12 . LEU . 15496 1 13 . GLU . 15496 1 14 . SER . 15496 1 15 . PRO . 15496 1 16 . TYR . 15496 1 17 . VAL . 15496 1 18 . MET . 15496 1 19 . MET . 15496 1 20 . LYS . 15496 1 21 . LYS . 15496 1 22 . ASN . 15496 1 23 . HIS . 15496 1 24 . GLU . 15496 1 25 . MET . 15496 1 26 . LEU . 15496 1 27 . GLU . 15496 1 28 . GLY . 15496 1 29 . ASN . 15496 1 30 . GLU . 15496 1 31 . ARG . 15496 1 32 . TYR . 15496 1 33 . GLU . 15496 1 34 . GLY . 15496 1 35 . TYR . 15496 1 36 . CYS . 15496 1 37 . VAL . 15496 1 38 . ASP . 15496 1 39 . LEU . 15496 1 40 . ALA . 15496 1 41 . ALA . 15496 1 42 . GLU . 15496 1 43 . ILE . 15496 1 44 . ALA . 15496 1 45 . LYS . 15496 1 46 . HIS . 15496 1 47 . CYS . 15496 1 48 . GLY . 15496 1 49 . PHE . 15496 1 50 . LYS . 15496 1 51 . TYR . 15496 1 52 . LYS . 15496 1 53 . LEU . 15496 1 54 . THR . 15496 1 55 . ILE . 15496 1 56 . VAL . 15496 1 57 . GLY . 15496 1 58 . ASP . 15496 1 59 . GLY . 15496 1 60 . LYS . 15496 1 61 . TYR . 15496 1 62 . GLY . 15496 1 63 . ALA . 15496 1 64 . ARG . 15496 1 65 . ASP . 15496 1 66 . ALA . 15496 1 67 . ASP . 15496 1 68 . THR . 15496 1 69 . LYS . 15496 1 70 . ILE . 15496 1 71 . TRP . 15496 1 72 . ASN . 15496 1 73 . GLY . 15496 1 74 . MET . 15496 1 75 . VAL . 15496 1 76 . GLY . 15496 1 77 . GLU . 15496 1 78 . LEU . 15496 1 79 . VAL . 15496 1 80 . TYR . 15496 1 81 . GLY . 15496 1 82 . LYS . 15496 1 83 . ALA . 15496 1 84 . ASP . 15496 1 85 . ILE . 15496 1 86 . ALA . 15496 1 87 . ILE . 15496 1 88 . ALA . 15496 1 89 . PRO . 15496 1 90 . LEU . 15496 1 91 . THR . 15496 1 92 . ILE . 15496 1 93 . THR . 15496 1 94 . LEU . 15496 1 95 . VAL . 15496 1 96 . ARG . 15496 1 97 . GLU . 15496 1 98 . GLU . 15496 1 99 . VAL . 15496 1 100 . ILE . 15496 1 101 . ASP . 15496 1 102 . PHE . 15496 1 103 . SER . 15496 1 104 . LYS . 15496 1 105 . PRO . 15496 1 106 . PHE . 15496 1 107 . MET . 15496 1 108 . SER . 15496 1 109 . LEU . 15496 1 110 . GLY . 15496 1 111 . ILE . 15496 1 112 . SER . 15496 1 113 . ILE . 15496 1 114 . MET . 15496 1 115 . ILE . 15496 1 116 . LYS . 15496 1 117 . LYS . 15496 1 118 . GLY . 15496 1 119 . THR . 15496 1 120 . PRO . 15496 1 121 . ILE . 15496 1 122 . GLU . 15496 1 123 . SER . 15496 1 124 . ALA . 15496 1 125 . GLU . 15496 1 126 . ASP . 15496 1 127 . LEU . 15496 1 128 . SER . 15496 1 129 . LYS . 15496 1 130 . GLN . 15496 1 131 . THR . 15496 1 132 . GLU . 15496 1 133 . ILE . 15496 1 134 . ALA . 15496 1 135 . TYR . 15496 1 136 . GLY . 15496 1 137 . THR . 15496 1 138 . LEU . 15496 1 139 . ASP . 15496 1 140 . SER . 15496 1 141 . GLY . 15496 1 142 . SER . 15496 1 143 . THR . 15496 1 144 . LYS . 15496 1 145 . GLU . 15496 1 146 . PHE . 15496 1 147 . PHE . 15496 1 148 . ARG . 15496 1 149 . ARG . 15496 1 150 . SER . 15496 1 151 . LYS . 15496 1 152 . ILE . 15496 1 153 . ALA . 15496 1 154 . VAL . 15496 1 155 . PHE . 15496 1 156 . ASP . 15496 1 157 . LYS . 15496 1 158 . MET . 15496 1 159 . TRP . 15496 1 160 . THR . 15496 1 161 . TYR . 15496 1 162 . MET . 15496 1 163 . ARG . 15496 1 164 . SER . 15496 1 165 . ALA . 15496 1 166 . GLU . 15496 1 167 . PRO . 15496 1 168 . SER . 15496 1 169 . VAL . 15496 1 170 . PHE . 15496 1 171 . VAL . 15496 1 172 . ARG . 15496 1 173 . THR . 15496 1 174 . THR . 15496 1 175 . ALA . 15496 1 176 . GLU . 15496 1 177 . GLY . 15496 1 178 . VAL . 15496 1 179 . ALA . 15496 1 180 . ARG . 15496 1 181 . VAL . 15496 1 182 . ARG . 15496 1 183 . LYS . 15496 1 184 . SER . 15496 1 185 . LYS . 15496 1 186 . GLY . 15496 1 187 . LYS . 15496 1 188 . TYR . 15496 1 189 . ALA . 15496 1 190 . TYR . 15496 1 191 . LEU . 15496 1 192 . LEU . 15496 1 193 . GLU . 15496 1 194 . SER . 15496 1 195 . THR . 15496 1 196 . MET . 15496 1 197 . ASN . 15496 1 198 . GLU . 15496 1 199 . TYR . 15496 1 200 . ILE . 15496 1 201 . GLU . 15496 1 202 . GLN . 15496 1 203 . ARG . 15496 1 204 . LYS . 15496 1 205 . PRO . 15496 1 206 . CYS . 15496 1 207 . ASP . 15496 1 208 . THR . 15496 1 209 . MET . 15496 1 210 . LYS . 15496 1 211 . VAL . 15496 1 212 . GLY . 15496 1 213 . GLY . 15496 1 214 . ASN . 15496 1 215 . LEU . 15496 1 216 . ASP . 15496 1 217 . SER . 15496 1 218 . LYS . 15496 1 219 . GLY . 15496 1 220 . TYR . 15496 1 221 . GLY . 15496 1 222 . ILE . 15496 1 223 . ALA . 15496 1 224 . THR . 15496 1 225 . PRO . 15496 1 226 . LYS . 15496 1 227 . GLY . 15496 1 228 . SER . 15496 1 229 . SER . 15496 1 230 . LEU . 15496 1 231 . GLY . 15496 1 232 . ASN . 15496 1 233 . ALA . 15496 1 234 . VAL . 15496 1 235 . ASN . 15496 1 236 . LEU . 15496 1 237 . ALA . 15496 1 238 . VAL . 15496 1 239 . LEU . 15496 1 240 . LYS . 15496 1 241 . LEU . 15496 1 242 . ASN . 15496 1 243 . GLU . 15496 1 244 . GLN . 15496 1 245 . GLY . 15496 1 246 . LEU . 15496 1 247 . LEU . 15496 1 248 . ASP . 15496 1 249 . LYS . 15496 1 250 . LEU . 15496 1 251 . LYS . 15496 1 252 . ASN . 15496 1 253 . LYS . 15496 1 254 . TRP . 15496 1 255 . TRP . 15496 1 256 . TYR . 15496 1 257 . ASP . 15496 1 258 . LYS . 15496 1 259 . GLY . 15496 1 260 . GLU . 15496 1 261 . CYS . 15496 1 262 . GLY . 15496 1 263 . SER . 15496 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 . GLY 1 1 15496 1 . ALA 2 2 15496 1 . ASN 3 3 15496 1 . LYS 4 4 15496 1 . THR 5 5 15496 1 . VAL 6 6 15496 1 . VAL 7 7 15496 1 . VAL 8 8 15496 1 . THR 9 9 15496 1 . THR 10 10 15496 1 . ILE 11 11 15496 1 . LEU 12 12 15496 1 . GLU 13 13 15496 1 . SER 14 14 15496 1 . PRO 15 15 15496 1 . TYR 16 16 15496 1 . VAL 17 17 15496 1 . MET 18 18 15496 1 . MET 19 19 15496 1 . LYS 20 20 15496 1 . LYS 21 21 15496 1 . ASN 22 22 15496 1 . HIS 23 23 15496 1 . GLU 24 24 15496 1 . MET 25 25 15496 1 . LEU 26 26 15496 1 . GLU 27 27 15496 1 . GLY 28 28 15496 1 . ASN 29 29 15496 1 . GLU 30 30 15496 1 . ARG 31 31 15496 1 . TYR 32 32 15496 1 . GLU 33 33 15496 1 . GLY 34 34 15496 1 . TYR 35 35 15496 1 . CYS 36 36 15496 1 . VAL 37 37 15496 1 . ASP 38 38 15496 1 . LEU 39 39 15496 1 . ALA 40 40 15496 1 . ALA 41 41 15496 1 . GLU 42 42 15496 1 . ILE 43 43 15496 1 . ALA 44 44 15496 1 . LYS 45 45 15496 1 . HIS 46 46 15496 1 . CYS 47 47 15496 1 . GLY 48 48 15496 1 . PHE 49 49 15496 1 . LYS 50 50 15496 1 . TYR 51 51 15496 1 . LYS 52 52 15496 1 . LEU 53 53 15496 1 . THR 54 54 15496 1 . ILE 55 55 15496 1 . VAL 56 56 15496 1 . GLY 57 57 15496 1 . ASP 58 58 15496 1 . GLY 59 59 15496 1 . LYS 60 60 15496 1 . TYR 61 61 15496 1 . GLY 62 62 15496 1 . ALA 63 63 15496 1 . ARG 64 64 15496 1 . ASP 65 65 15496 1 . ALA 66 66 15496 1 . ASP 67 67 15496 1 . THR 68 68 15496 1 . LYS 69 69 15496 1 . ILE 70 70 15496 1 . TRP 71 71 15496 1 . ASN 72 72 15496 1 . GLY 73 73 15496 1 . MET 74 74 15496 1 . VAL 75 75 15496 1 . GLY 76 76 15496 1 . GLU 77 77 15496 1 . LEU 78 78 15496 1 . VAL 79 79 15496 1 . TYR 80 80 15496 1 . GLY 81 81 15496 1 . LYS 82 82 15496 1 . ALA 83 83 15496 1 . ASP 84 84 15496 1 . ILE 85 85 15496 1 . ALA 86 86 15496 1 . ILE 87 87 15496 1 . ALA 88 88 15496 1 . PRO 89 89 15496 1 . LEU 90 90 15496 1 . THR 91 91 15496 1 . ILE 92 92 15496 1 . THR 93 93 15496 1 . LEU 94 94 15496 1 . VAL 95 95 15496 1 . ARG 96 96 15496 1 . GLU 97 97 15496 1 . GLU 98 98 15496 1 . VAL 99 99 15496 1 . ILE 100 100 15496 1 . ASP 101 101 15496 1 . PHE 102 102 15496 1 . SER 103 103 15496 1 . LYS 104 104 15496 1 . PRO 105 105 15496 1 . PHE 106 106 15496 1 . MET 107 107 15496 1 . SER 108 108 15496 1 . LEU 109 109 15496 1 . GLY 110 110 15496 1 . ILE 111 111 15496 1 . SER 112 112 15496 1 . ILE 113 113 15496 1 . MET 114 114 15496 1 . ILE 115 115 15496 1 . LYS 116 116 15496 1 . LYS 117 117 15496 1 . GLY 118 118 15496 1 . THR 119 119 15496 1 . PRO 120 120 15496 1 . ILE 121 121 15496 1 . GLU 122 122 15496 1 . SER 123 123 15496 1 . ALA 124 124 15496 1 . GLU 125 125 15496 1 . ASP 126 126 15496 1 . LEU 127 127 15496 1 . SER 128 128 15496 1 . LYS 129 129 15496 1 . GLN 130 130 15496 1 . THR 131 131 15496 1 . GLU 132 132 15496 1 . ILE 133 133 15496 1 . ALA 134 134 15496 1 . TYR 135 135 15496 1 . GLY 136 136 15496 1 . THR 137 137 15496 1 . LEU 138 138 15496 1 . ASP 139 139 15496 1 . SER 140 140 15496 1 . GLY 141 141 15496 1 . SER 142 142 15496 1 . THR 143 143 15496 1 . LYS 144 144 15496 1 . GLU 145 145 15496 1 . PHE 146 146 15496 1 . PHE 147 147 15496 1 . ARG 148 148 15496 1 . ARG 149 149 15496 1 . SER 150 150 15496 1 . LYS 151 151 15496 1 . ILE 152 152 15496 1 . ALA 153 153 15496 1 . VAL 154 154 15496 1 . PHE 155 155 15496 1 . ASP 156 156 15496 1 . LYS 157 157 15496 1 . MET 158 158 15496 1 . TRP 159 159 15496 1 . THR 160 160 15496 1 . TYR 161 161 15496 1 . MET 162 162 15496 1 . ARG 163 163 15496 1 . SER 164 164 15496 1 . ALA 165 165 15496 1 . GLU 166 166 15496 1 . PRO 167 167 15496 1 . SER 168 168 15496 1 . VAL 169 169 15496 1 . PHE 170 170 15496 1 . VAL 171 171 15496 1 . ARG 172 172 15496 1 . THR 173 173 15496 1 . THR 174 174 15496 1 . ALA 175 175 15496 1 . GLU 176 176 15496 1 . GLY 177 177 15496 1 . VAL 178 178 15496 1 . ALA 179 179 15496 1 . ARG 180 180 15496 1 . VAL 181 181 15496 1 . ARG 182 182 15496 1 . LYS 183 183 15496 1 . SER 184 184 15496 1 . LYS 185 185 15496 1 . GLY 186 186 15496 1 . LYS 187 187 15496 1 . TYR 188 188 15496 1 . ALA 189 189 15496 1 . TYR 190 190 15496 1 . LEU 191 191 15496 1 . LEU 192 192 15496 1 . GLU 193 193 15496 1 . SER 194 194 15496 1 . THR 195 195 15496 1 . MET 196 196 15496 1 . ASN 197 197 15496 1 . GLU 198 198 15496 1 . TYR 199 199 15496 1 . ILE 200 200 15496 1 . GLU 201 201 15496 1 . GLN 202 202 15496 1 . ARG 203 203 15496 1 . LYS 204 204 15496 1 . PRO 205 205 15496 1 . CYS 206 206 15496 1 . ASP 207 207 15496 1 . THR 208 208 15496 1 . MET 209 209 15496 1 . LYS 210 210 15496 1 . VAL 211 211 15496 1 . GLY 212 212 15496 1 . GLY 213 213 15496 1 . ASN 214 214 15496 1 . LEU 215 215 15496 1 . ASP 216 216 15496 1 . SER 217 217 15496 1 . LYS 218 218 15496 1 . GLY 219 219 15496 1 . TYR 220 220 15496 1 . GLY 221 221 15496 1 . ILE 222 222 15496 1 . ALA 223 223 15496 1 . THR 224 224 15496 1 . PRO 225 225 15496 1 . LYS 226 226 15496 1 . GLY 227 227 15496 1 . SER 228 228 15496 1 . SER 229 229 15496 1 . LEU 230 230 15496 1 . GLY 231 231 15496 1 . ASN 232 232 15496 1 . ALA 233 233 15496 1 . VAL 234 234 15496 1 . ASN 235 235 15496 1 . LEU 236 236 15496 1 . ALA 237 237 15496 1 . VAL 238 238 15496 1 . LEU 239 239 15496 1 . LYS 240 240 15496 1 . LEU 241 241 15496 1 . ASN 242 242 15496 1 . GLU 243 243 15496 1 . GLN 244 244 15496 1 . GLY 245 245 15496 1 . LEU 246 246 15496 1 . LEU 247 247 15496 1 . ASP 248 248 15496 1 . LYS 249 249 15496 1 . LEU 250 250 15496 1 . LYS 251 251 15496 1 . ASN 252 252 15496 1 . LYS 253 253 15496 1 . TRP 254 254 15496 1 . TRP 255 255 15496 1 . TYR 256 256 15496 1 . ASP 257 257 15496 1 . LYS 258 258 15496 1 . GLY 259 259 15496 1 . GLU 260 260 15496 1 . CYS 261 261 15496 1 . GLY 262 262 15496 1 . SER 263 263 15496 1 stop_ save_ save_KAI _Entity.Sf_category entity _Entity.Sf_framecode KAI _Entity.Entry_ID 15496 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name KAI _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID KAI _Entity.Nonpolymer_comp_label $chem_comp_KAI _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . KAI . 15496 2 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 15496 _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 $S1S2 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 15496 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 15496 _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 $S1S2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)* . . . . . . . . . . . . . . . pET . . . . . . 15496 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_KAI _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_KAI _Chem_comp.Entry_ID 15496 _Chem_comp.ID KAI _Chem_comp.Provenance . _Chem_comp.Name '3-CARBOXYMETHYL-4-ISOPROPYL-PYRROLIDINE-2-CARBOXYLIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code KAI _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H17 N O4' _Chem_comp.Formula_weight 215.246 _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 23:03:49 2007 ; _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(C)C1CNC(C1CC(=O)O)C(=O)O SMILES OpenEye/OEToolkits 1.4.2 15496 KAI CC(C)C1CNC(C1CC(O)=O)C(O)=O SMILES_CANONICAL CACTVS 2.87 15496 KAI CC(C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15496 KAI CC(C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O SMILES CACTVS 2.87 15496 KAI InChI=1/C10H17NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h5-7,9,11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1 INCHI InChi 1 15496 KAI 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 '(2S,3S,4R)-3-(carboxymethyl)-4-propan-2-yl-pyrrolidine-2-carboxylic acid' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15496 KAI 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 . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI CA . CA . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI CB . CB . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI CB1 . CB1 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI CD . CD . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI CD1 . CD1 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI CD2 . CD2 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI CG . CG . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI CG1 . CG1 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI CG2 . CG2 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HA . HA . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HB . HB . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HB11 . HB11 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HB12 . HB12 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HD1 . HD1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HD11 . HD11 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HD12 . HD12 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HD13 . HD13 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HD2 . HD2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HD21 . HD21 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HD22 . HD22 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HD23 . HD23 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HG . HG . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HG2 . HG2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HN1 . HN1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HOD1 . HOD1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI HXT . HXT . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI N . N . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI O . O . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI OD1 . OD1 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI OD2 . OD2 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI OXT . OXT . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15496 KAI 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 CD . . . . 15496 KAI 2 . SING N CA . . . . 15496 KAI 3 . SING N HN1 . . . . 15496 KAI 4 . SING CD CG . . . . 15496 KAI 5 . SING CD HD1 . . . . 15496 KAI 6 . SING CD HD2 . . . . 15496 KAI 7 . SING CD1 CG2 . . . . 15496 KAI 8 . SING CD1 HD11 . . . . 15496 KAI 9 . SING CD1 HD12 . . . . 15496 KAI 10 . SING CD1 HD13 . . . . 15496 KAI 11 . SING CD2 CG2 . . . . 15496 KAI 12 . SING CD2 HD21 . . . . 15496 KAI 13 . SING CD2 HD22 . . . . 15496 KAI 14 . SING CD2 HD23 . . . . 15496 KAI 15 . SING CA CB . . . . 15496 KAI 16 . SING CA C . . . . 15496 KAI 17 . SING CA HA . . . . 15496 KAI 18 . SING CB CB1 . . . . 15496 KAI 19 . SING CB CG . . . . 15496 KAI 20 . SING CB HB . . . . 15496 KAI 21 . SING CB1 CG1 . . . . 15496 KAI 22 . SING CB1 HB11 . . . . 15496 KAI 23 . SING CB1 HB12 . . . . 15496 KAI 24 . SING CG CG2 . . . . 15496 KAI 25 . SING CG HG . . . . 15496 KAI 26 . SING CG1 OD1 . . . . 15496 KAI 27 . DOUB CG1 OD2 . . . . 15496 KAI 28 . SING CG2 HG2 . . . . 15496 KAI 29 . DOUB C O . . . . 15496 KAI 30 . SING C OXT . . . . 15496 KAI 31 . SING OD1 HOD1 . . . . 15496 KAI 32 . SING OXT HXT . . . . 15496 KAI stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15496 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '88% H2O/12% 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 S1S2 '[U-98% 13C; U-98% 15N; U-95% 2H]' . . 1 $S1S2 . . 0.25-0.35 . . mM . . . . 15496 1 2 kainate 'natural abundance' . . . . . . 7 . . mM . . . . 15496 1 3 'sodium chloride' 'natural abundance' . . . . . . 25 . . mM . . . . 15496 1 4 'sodium acetate' 'natural abundance' . . . . . . 25 . . mM . . . . 15496 1 5 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 15496 1 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 15496 _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 'ionic strength' 53.0 . mM 15496 1 pH 5.0 . pH 15496 1 pressure 1 . atm 15496 1 temperature 298 . K 15496 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15496 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15496 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15496 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15496 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15496 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15496 2 'peak picking' 15496 2 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 15496 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15496 _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 Varian INOVA . 500 . . . 15496 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 15496 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15496 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15496 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15496 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15496 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 15496 _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 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15496 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15496 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15496 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 15496 _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 '2D 1H-15N HSQC' . . . 15496 1 2 '3D HNCO' . . . 15496 1 3 '3D HN(CO)CA' . . . 15496 1 4 '3D HNCA' . . . 15496 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' . . . . 15496 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 GLY C C 13 169.9 0.1 . 1 . . . . 1 G C . 15496 1 2 . 1 1 1 1 GLY CA C 13 42.9 0.1 . 1 . . . . 1 G CA . 15496 1 3 . 1 1 2 2 ALA H H 1 8.53 0.01 . 1 . . . . 2 A HN . 15496 1 4 . 1 1 2 2 ALA C C 13 177.5 0.1 . 1 . . . . 2 A C . 15496 1 5 . 1 1 2 2 ALA CA C 13 52.1 0.1 . 1 . . . . 2 A CA . 15496 1 6 . 1 1 2 2 ALA N N 15 124.1 0.1 . 1 . . . . 2 A N . 15496 1 7 . 1 1 3 3 ASN H H 1 8.51 0.01 . 1 . . . . 3 N HN . 15496 1 8 . 1 1 3 3 ASN C C 13 174.8 0.1 . 1 . . . . 3 N C . 15496 1 9 . 1 1 3 3 ASN CA C 13 52.9 0.1 . 1 . . . . 3 N CA . 15496 1 10 . 1 1 3 3 ASN N N 15 119.2 0.1 . 1 . . . . 3 N N . 15496 1 11 . 1 1 4 4 LYS H H 1 8.15 0.01 . 1 . . . . 4 K HN . 15496 1 12 . 1 1 4 4 LYS C C 13 176.4 0.1 . 1 . . . . 4 K C . 15496 1 13 . 1 1 4 4 LYS CA C 13 55.7 0.1 . 1 . . . . 4 K CA . 15496 1 14 . 1 1 4 4 LYS N N 15 122.4 0.1 . 1 . . . . 4 K N . 15496 1 15 . 1 1 5 5 THR H H 1 8.38 0.01 . 1 . . . . 5 T HN . 15496 1 16 . 1 1 5 5 THR C C 13 173.8 0.1 . 1 . . . . 5 T C . 15496 1 17 . 1 1 5 5 THR CA C 13 62.7 0.1 . 1 . . . . 5 T CA . 15496 1 18 . 1 1 5 5 THR N N 15 121.6 0.1 . 1 . . . . 5 T N . 15496 1 19 . 1 1 6 6 VAL H H 1 8.65 0.01 . 1 . . . . 6 V HN . 15496 1 20 . 1 1 6 6 VAL C C 13 174.7 0.1 . 1 . . . . 6 V C . 15496 1 21 . 1 1 6 6 VAL CA C 13 62.1 0.1 . 1 . . . . 6 V CA . 15496 1 22 . 1 1 6 6 VAL N N 15 130.1 0.1 . 1 . . . . 6 V N . 15496 1 23 . 1 1 7 7 VAL H H 1 9.79 0.01 . 1 . . . . 7 V HN . 15496 1 24 . 1 1 7 7 VAL C C 13 175.9 0.1 . 1 . . . . 7 V C . 15496 1 25 . 1 1 7 7 VAL CA C 13 63.0 0.1 . 1 . . . . 7 V CA . 15496 1 26 . 1 1 7 7 VAL N N 15 130.5 0.1 . 1 . . . . 7 V N . 15496 1 27 . 1 1 8 8 VAL H H 1 8.65 0.01 . 1 . . . . 8 V HN . 15496 1 28 . 1 1 8 8 VAL C C 13 175.9 0.1 . 1 . . . . 8 V C . 15496 1 29 . 1 1 8 8 VAL CA C 13 59.2 0.1 . 1 . . . . 8 V CA . 15496 1 30 . 1 1 8 8 VAL N N 15 131.2 0.1 . 1 . . . . 8 V N . 15496 1 31 . 1 1 9 9 THR H H 1 9.01 0.01 . 1 . . . . 9 T HN . 15496 1 32 . 1 1 9 9 THR C C 13 171.4 0.1 . 1 . . . . 9 T C . 15496 1 33 . 1 1 9 9 THR CA C 13 59.2 0.1 . 1 . . . . 9 T CA . 15496 1 34 . 1 1 9 9 THR N N 15 125.0 0.1 . 1 . . . . 9 T N . 15496 1 35 . 1 1 10 10 THR H H 1 7.87 0.01 . 1 . . . . 10 T HN . 15496 1 36 . 1 1 10 10 THR C C 13 170.2 0.1 . 1 . . . . 10 T C . 15496 1 37 . 1 1 10 10 THR CA C 13 60.7 0.1 . 1 . . . . 10 T CA . 15496 1 38 . 1 1 10 10 THR N N 15 124.4 0.1 . 1 . . . . 10 T N . 15496 1 39 . 1 1 11 11 ILE H H 1 8.07 0.01 . 1 . . . . 11 I HN . 15496 1 40 . 1 1 11 11 ILE C C 13 171.9 0.1 . 1 . . . . 11 I C . 15496 1 41 . 1 1 11 11 ILE CA C 13 59.0 0.1 . 1 . . . . 11 I CA . 15496 1 42 . 1 1 11 11 ILE N N 15 120.1 0.1 . 1 . . . . 11 I N . 15496 1 43 . 1 1 12 12 LEU H H 1 7.52 0.01 . 1 . . . . 12 L HN . 15496 1 44 . 1 1 12 12 LEU C C 13 176.3 0.1 . 1 . . . . 12 L C . 15496 1 45 . 1 1 12 12 LEU CA C 13 54.8 0.1 . 1 . . . . 12 L CA . 15496 1 46 . 1 1 12 12 LEU N N 15 122.6 0.1 . 1 . . . . 12 L N . 15496 1 47 . 1 1 13 13 GLU H H 1 7.80 0.01 . 1 . . . . 13 E HN . 15496 1 48 . 1 1 13 13 GLU C C 13 176.4 0.1 . 1 . . . . 13 E C . 15496 1 49 . 1 1 13 13 GLU CA C 13 55.6 0.1 . 1 . . . . 13 E CA . 15496 1 50 . 1 1 13 13 GLU N N 15 127.7 0.1 . 1 . . . . 13 E N . 15496 1 51 . 1 1 14 14 SER H H 1 9.51 0.01 . 1 . . . . 14 S HN . 15496 1 52 . 1 1 14 14 SER CA C 13 58.2 0.1 . 1 . . . . 14 S CA . 15496 1 53 . 1 1 14 14 SER N N 15 131.4 0.1 . 1 . . . . 14 S N . 15496 1 54 . 1 1 15 15 PRO C C 13 173.7 0.1 . 1 . . . . 15 P C . 15496 1 55 . 1 1 15 15 PRO CA C 13 63.4 0.1 . 1 . . . . 15 P CA . 15496 1 56 . 1 1 16 16 TYR H H 1 8.03 0.01 . 1 . . . . 16 Y HN . 15496 1 57 . 1 1 16 16 TYR C C 13 176.8 0.1 . 1 . . . . 16 Y C . 15496 1 58 . 1 1 16 16 TYR CA C 13 61.7 0.1 . 1 . . . . 16 Y CA . 15496 1 59 . 1 1 16 16 TYR N N 15 125.5 0.1 . 1 . . . . 16 Y N . 15496 1 60 . 1 1 17 17 VAL H H 1 7.82 0.01 . 1 . . . . 17 V HN . 15496 1 61 . 1 1 17 17 VAL C C 13 174.0 0.1 . 1 . . . . 17 V C . 15496 1 62 . 1 1 17 17 VAL CA C 13 63.4 0.1 . 1 . . . . 17 V CA . 15496 1 63 . 1 1 17 17 VAL N N 15 117.4 0.1 . 1 . . . . 17 V N . 15496 1 64 . 1 1 18 18 MET H H 1 9.28 0.01 . 1 . . . . 18 M HN . 15496 1 65 . 1 1 18 18 MET C C 13 175.1 0.1 . 1 . . . . 18 M C . 15496 1 66 . 1 1 18 18 MET CA C 13 53.5 0.1 . 1 . . . . 18 M CA . 15496 1 67 . 1 1 18 18 MET N N 15 125.9 0.1 . 1 . . . . 18 M N . 15496 1 68 . 1 1 19 19 MET H H 1 8.72 0.01 . 1 . . . . 19 M HN . 15496 1 69 . 1 1 19 19 MET C C 13 177.8 0.1 . 1 . . . . 19 M C . 15496 1 70 . 1 1 19 19 MET CA C 13 54.1 0.1 . 1 . . . . 19 M CA . 15496 1 71 . 1 1 19 19 MET N N 15 119.8 0.1 . 1 . . . . 19 M N . 15496 1 72 . 1 1 20 20 LYS H H 1 8.48 0.01 . 1 . . . . 20 K HN . 15496 1 73 . 1 1 20 20 LYS C C 13 177.5 0.1 . 1 . . . . 20 K C . 15496 1 74 . 1 1 20 20 LYS CA C 13 56.9 0.1 . 1 . . . . 20 K CA . 15496 1 75 . 1 1 20 20 LYS N N 15 126.3 0.1 . 1 . . . . 20 K N . 15496 1 76 . 1 1 21 21 LYS H H 1 8.83 0.01 . 1 . . . . 21 K HN . 15496 1 77 . 1 1 21 21 LYS C C 13 177.4 0.1 . 1 . . . . 21 K C . 15496 1 78 . 1 1 21 21 LYS CA C 13 58.1 0.1 . 1 . . . . 21 K CA . 15496 1 79 . 1 1 21 21 LYS N N 15 124.0 0.1 . 1 . . . . 21 K N . 15496 1 80 . 1 1 22 22 ASN H H 1 8.71 0.01 . 1 . . . . 22 N HN . 15496 1 81 . 1 1 22 22 ASN C C 13 176.1 0.1 . 1 . . . . 22 N C . 15496 1 82 . 1 1 22 22 ASN CA C 13 52.9 0.1 . 1 . . . . 22 N CA . 15496 1 83 . 1 1 22 22 ASN N N 15 117.0 0.1 . 1 . . . . 22 N N . 15496 1 84 . 1 1 23 23 HIS H H 1 7.63 0.01 . 1 . . . . 23 H HN . 15496 1 85 . 1 1 23 23 HIS C C 13 175.5 0.1 . 1 . . . . 23 H C . 15496 1 86 . 1 1 23 23 HIS CA C 13 58.2 0.1 . 1 . . . . 23 H CA . 15496 1 87 . 1 1 23 23 HIS N N 15 115.4 0.1 . 1 . . . . 23 H N . 15496 1 88 . 1 1 24 24 GLU H H 1 8.70 0.01 . 1 . . . . 24 E HN . 15496 1 89 . 1 1 24 24 GLU C C 13 177.2 0.1 . 1 . . . . 24 E C . 15496 1 90 . 1 1 24 24 GLU CA C 13 58.4 0.1 . 1 . . . . 24 E CA . 15496 1 91 . 1 1 24 24 GLU N N 15 121.0 0.1 . 1 . . . . 24 E N . 15496 1 92 . 1 1 25 25 MET H H 1 7.83 0.01 . 1 . . . . 25 M HN . 15496 1 93 . 1 1 25 25 MET C C 13 175.4 0.1 . 1 . . . . 25 M C . 15496 1 94 . 1 1 25 25 MET CA C 13 54.5 0.1 . 1 . . . . 25 M CA . 15496 1 95 . 1 1 25 25 MET N N 15 116.6 0.1 . 1 . . . . 25 M N . 15496 1 96 . 1 1 26 26 LEU H H 1 7.43 0.01 . 1 . . . . 26 L HN . 15496 1 97 . 1 1 26 26 LEU C C 13 175.0 0.1 . 1 . . . . 26 L C . 15496 1 98 . 1 1 26 26 LEU CA C 13 53.1 0.1 . 1 . . . . 26 L CA . 15496 1 99 . 1 1 26 26 LEU N N 15 122.1 0.1 . 1 . . . . 26 L N . 15496 1 100 . 1 1 27 27 GLU H H 1 8.32 0.01 . 1 . . . . 27 E HN . 15496 1 101 . 1 1 27 27 GLU C C 13 177.0 0.1 . 1 . . . . 27 E C . 15496 1 102 . 1 1 27 27 GLU CA C 13 54.0 0.1 . 1 . . . . 27 E CA . 15496 1 103 . 1 1 27 27 GLU N N 15 118.3 0.1 . 1 . . . . 27 E N . 15496 1 104 . 1 1 28 28 GLY H H 1 8.80 0.01 . 1 . . . . 28 G HN . 15496 1 105 . 1 1 28 28 GLY C C 13 177.2 0.1 . 1 . . . . 28 G C . 15496 1 106 . 1 1 28 28 GLY CA C 13 46.1 0.1 . 1 . . . . 28 G CA . 15496 1 107 . 1 1 28 28 GLY N N 15 109.7 0.1 . 1 . . . . 28 G N . 15496 1 108 . 1 1 29 29 ASN H H 1 9.48 0.01 . 1 . . . . 29 N HN . 15496 1 109 . 1 1 29 29 ASN C C 13 176.3 0.1 . 1 . . . . 29 N C . 15496 1 110 . 1 1 29 29 ASN CA C 13 55.1 0.1 . 1 . . . . 29 N CA . 15496 1 111 . 1 1 29 29 ASN N N 15 125.4 0.1 . 1 . . . . 29 N N . 15496 1 112 . 1 1 30 30 GLU H H 1 7.80 0.01 . 1 . . . . 30 E HN . 15496 1 113 . 1 1 30 30 GLU C C 13 176.1 0.1 . 1 . . . . 30 E C . 15496 1 114 . 1 1 30 30 GLU CA C 13 57.0 0.1 . 1 . . . . 30 E CA . 15496 1 115 . 1 1 30 30 GLU N N 15 116.5 0.1 . 1 . . . . 30 E N . 15496 1 116 . 1 1 31 31 ARG H H 1 6.86 0.01 . 1 . . . . 31 R HN . 15496 1 117 . 1 1 31 31 ARG C C 13 174.3 0.1 . 1 . . . . 31 R C . 15496 1 118 . 1 1 31 31 ARG CA C 13 58.2 0.1 . 1 . . . . 31 R CA . 15496 1 119 . 1 1 31 31 ARG N N 15 114.7 0.1 . 1 . . . . 31 R N . 15496 1 120 . 1 1 32 32 TYR H H 1 6.84 0.01 . 1 . . . . 32 Y HN . 15496 1 121 . 1 1 32 32 TYR C C 13 173.9 0.1 . 1 . . . . 32 Y C . 15496 1 122 . 1 1 32 32 TYR CA C 13 55.4 0.1 . 1 . . . . 32 Y CA . 15496 1 123 . 1 1 32 32 TYR N N 15 114.3 0.1 . 1 . . . . 32 Y N . 15496 1 124 . 1 1 33 33 GLU H H 1 9.15 0.01 . 1 . . . . 33 E HN . 15496 1 125 . 1 1 33 33 GLU C C 13 172.9 0.1 . 1 . . . . 33 E C . 15496 1 126 . 1 1 33 33 GLU CA C 13 53.5 0.1 . 1 . . . . 33 E CA . 15496 1 127 . 1 1 33 33 GLU N N 15 116.1 0.1 . 1 . . . . 33 E N . 15496 1 128 . 1 1 34 34 GLY H H 1 8.21 0.01 . 1 . . . . 34 G HN . 15496 1 129 . 1 1 34 34 GLY C C 13 174.2 0.1 . 1 . . . . 34 G C . 15496 1 130 . 1 1 34 34 GLY CA C 13 42.0 0.1 . 1 . . . . 34 G CA . 15496 1 131 . 1 1 34 34 GLY N N 15 108.9 0.1 . 1 . . . . 34 G N . 15496 1 132 . 1 1 35 35 TYR H H 1 7.34 0.01 . 1 . . . . 35 Y HN . 15496 1 133 . 1 1 35 35 TYR C C 13 178.1 0.1 . 1 . . . . 35 Y C . 15496 1 134 . 1 1 35 35 TYR CA C 13 62.5 0.1 . 1 . . . . 35 Y CA . 15496 1 135 . 1 1 35 35 TYR N N 15 119.5 0.1 . 1 . . . . 35 Y N . 15496 1 136 . 1 1 36 36 CYS H H 1 10.25 0.01 . 1 . . . . 36 C HN . 15496 1 137 . 1 1 36 36 CYS C C 13 175.5 0.1 . 1 . . . . 36 C C . 15496 1 138 . 1 1 36 36 CYS CA C 13 63.4 0.1 . 1 . . . . 36 C CA . 15496 1 139 . 1 1 36 36 CYS N N 15 114.9 0.1 . 1 . . . . 36 C N . 15496 1 140 . 1 1 37 37 VAL H H 1 6.57 0.01 . 1 . . . . 37 V HN . 15496 1 141 . 1 1 37 37 VAL C C 13 178.5 0.1 . 1 . . . . 37 V C . 15496 1 142 . 1 1 37 37 VAL CA C 13 66.0 0.1 . 1 . . . . 37 V CA . 15496 1 143 . 1 1 37 37 VAL N N 15 123.4 0.1 . 1 . . . . 37 V N . 15496 1 144 . 1 1 38 38 ASP H H 1 8.07 0.01 . 1 . . . . 38 D HN . 15496 1 145 . 1 1 38 38 ASP C C 13 179.2 0.1 . 1 . . . . 38 D C . 15496 1 146 . 1 1 38 38 ASP CA C 13 56.8 0.1 . 1 . . . . 38 D CA . 15496 1 147 . 1 1 38 38 ASP N N 15 123.0 0.1 . 1 . . . . 38 D N . 15496 1 148 . 1 1 39 39 LEU H H 1 8.28 0.01 . 1 . . . . 39 L HN . 15496 1 149 . 1 1 39 39 LEU C C 13 177.8 0.1 . 1 . . . . 39 L C . 15496 1 150 . 1 1 39 39 LEU CA C 13 57.4 0.1 . 1 . . . . 39 L CA . 15496 1 151 . 1 1 39 39 LEU N N 15 120.8 0.1 . 1 . . . . 39 L N . 15496 1 152 . 1 1 40 40 ALA H H 1 7.94 0.01 . 1 . . . . 40 A HN . 15496 1 153 . 1 1 40 40 ALA C C 13 177.9 0.1 . 1 . . . . 40 A C . 15496 1 154 . 1 1 40 40 ALA CA C 13 55.1 0.1 . 1 . . . . 40 A CA . 15496 1 155 . 1 1 40 40 ALA N N 15 120.5 0.1 . 1 . . . . 40 A N . 15496 1 156 . 1 1 41 41 ALA H H 1 7.20 0.01 . 1 . . . . 41 A HN . 15496 1 157 . 1 1 41 41 ALA C C 13 181.4 0.1 . 1 . . . . 41 A C . 15496 1 158 . 1 1 41 41 ALA CA C 13 54.9 0.1 . 1 . . . . 41 A CA . 15496 1 159 . 1 1 41 41 ALA N N 15 118.4 0.1 . 1 . . . . 41 A N . 15496 1 160 . 1 1 42 42 GLU H H 1 7.67 0.01 . 1 . . . . 42 E HN . 15496 1 161 . 1 1 42 42 GLU C C 13 180.2 0.1 . 1 . . . . 42 E C . 15496 1 162 . 1 1 42 42 GLU CA C 13 58.1 0.1 . 1 . . . . 42 E CA . 15496 1 163 . 1 1 42 42 GLU N N 15 118.3 0.1 . 1 . . . . 42 E N . 15496 1 164 . 1 1 43 43 ILE H H 1 8.60 0.01 . 1 . . . . 43 I HN . 15496 1 165 . 1 1 43 43 ILE C C 13 177.6 0.1 . 1 . . . . 43 I C . 15496 1 166 . 1 1 43 43 ILE CA C 13 63.6 0.1 . 1 . . . . 43 I CA . 15496 1 167 . 1 1 43 43 ILE N N 15 121.9 0.1 . 1 . . . . 43 I N . 15496 1 168 . 1 1 44 44 ALA H H 1 8.10 0.01 . 1 . . . . 44 A HN . 15496 1 169 . 1 1 44 44 ALA C C 13 180.0 0.1 . 1 . . . . 44 A C . 15496 1 170 . 1 1 44 44 ALA CA C 13 54.9 0.1 . 1 . . . . 44 A CA . 15496 1 171 . 1 1 44 44 ALA N N 15 123.2 0.1 . 1 . . . . 44 A N . 15496 1 172 . 1 1 45 45 LYS H H 1 7.55 0.01 . 1 . . . . 45 K HN . 15496 1 173 . 1 1 45 45 LYS C C 13 179.1 0.1 . 1 . . . . 45 K C . 15496 1 174 . 1 1 45 45 LYS CA C 13 58.5 0.1 . 1 . . . . 45 K CA . 15496 1 175 . 1 1 45 45 LYS N N 15 118.0 0.1 . 1 . . . . 45 K N . 15496 1 176 . 1 1 46 46 HIS H H 1 7.63 0.01 . 1 . . . . 46 H HN . 15496 1 177 . 1 1 46 46 HIS C C 13 177.1 0.1 . 1 . . . . 46 H C . 15496 1 178 . 1 1 46 46 HIS CA C 13 59.2 0.1 . 1 . . . . 46 H CA . 15496 1 179 . 1 1 46 46 HIS N N 15 117.2 0.1 . 1 . . . . 46 H N . 15496 1 180 . 1 1 47 47 CYS H H 1 8.06 0.01 . 1 . . . . 47 C HN . 15496 1 181 . 1 1 47 47 CYS C C 13 175.2 0.1 . 1 . . . . 47 C C . 15496 1 182 . 1 1 47 47 CYS CA C 13 60.2 0.1 . 1 . . . . 47 C CA . 15496 1 183 . 1 1 47 47 CYS N N 15 114.7 0.1 . 1 . . . . 47 C N . 15496 1 184 . 1 1 48 48 GLY H H 1 7.84 0.01 . 1 . . . . 48 G HN . 15496 1 185 . 1 1 48 48 GLY C C 13 174.0 0.1 . 1 . . . . 48 G C . 15496 1 186 . 1 1 48 48 GLY CA C 13 46.3 0.1 . 1 . . . . 48 G CA . 15496 1 187 . 1 1 48 48 GLY N N 15 109.7 0.1 . 1 . . . . 48 G N . 15496 1 188 . 1 1 49 49 PHE H H 1 7.12 0.01 . 1 . . . . 49 F HN . 15496 1 189 . 1 1 49 49 PHE C C 13 174.9 0.1 . 1 . . . . 49 F C . 15496 1 190 . 1 1 49 49 PHE CA C 13 53.9 0.1 . 1 . . . . 49 F CA . 15496 1 191 . 1 1 49 49 PHE N N 15 114.6 0.1 . 1 . . . . 49 F N . 15496 1 192 . 1 1 50 50 LYS H H 1 8.79 0.01 . 1 . . . . 50 K HN . 15496 1 193 . 1 1 50 50 LYS C C 13 176.4 0.1 . 1 . . . . 50 K C . 15496 1 194 . 1 1 50 50 LYS CA C 13 54.8 0.1 . 1 . . . . 50 K CA . 15496 1 195 . 1 1 50 50 LYS N N 15 121.7 0.1 . 1 . . . . 50 K N . 15496 1 196 . 1 1 51 51 TYR H H 1 8.41 0.01 . 1 . . . . 51 Y HN . 15496 1 197 . 1 1 51 51 TYR C C 13 173.9 0.1 . 1 . . . . 51 Y C . 15496 1 198 . 1 1 51 51 TYR CA C 13 55.4 0.1 . 1 . . . . 51 Y CA . 15496 1 199 . 1 1 51 51 TYR N N 15 117.6 0.1 . 1 . . . . 51 Y N . 15496 1 200 . 1 1 52 52 LYS H H 1 8.79 0.01 . 1 . . . . 52 K HN . 15496 1 201 . 1 1 52 52 LYS C C 13 175.4 0.1 . 1 . . . . 52 K C . 15496 1 202 . 1 1 52 52 LYS CA C 13 54.0 0.1 . 1 . . . . 52 K CA . 15496 1 203 . 1 1 52 52 LYS N N 15 122.6 0.1 . 1 . . . . 52 K N . 15496 1 204 . 1 1 53 53 LEU H H 1 8.69 0.01 . 1 . . . . 53 L HN . 15496 1 205 . 1 1 53 53 LEU C C 13 176.3 0.1 . 1 . . . . 53 L C . 15496 1 206 . 1 1 53 53 LEU CA C 13 54.7 0.1 . 1 . . . . 53 L CA . 15496 1 207 . 1 1 53 53 LEU N N 15 125.6 0.1 . 1 . . . . 53 L N . 15496 1 208 . 1 1 54 54 THR H H 1 8.72 0.01 . 1 . . . . 54 T HN . 15496 1 209 . 1 1 54 54 THR C C 13 171.1 0.1 . 1 . . . . 54 T C . 15496 1 210 . 1 1 54 54 THR CA C 13 59.6 0.1 . 1 . . . . 54 T CA . 15496 1 211 . 1 1 54 54 THR N N 15 119.8 0.1 . 1 . . . . 54 T N . 15496 1 212 . 1 1 55 55 ILE H H 1 8.09 0.01 . 1 . . . . 55 I HN . 15496 1 213 . 1 1 55 55 ILE C C 13 176.9 0.1 . 1 . . . . 55 I C . 15496 1 214 . 1 1 55 55 ILE CA C 13 57.0 0.1 . 1 . . . . 55 I CA . 15496 1 215 . 1 1 55 55 ILE N N 15 123.7 0.1 . 1 . . . . 55 I N . 15496 1 216 . 1 1 56 56 VAL H H 1 8.73 0.01 . 1 . . . . 56 V HN . 15496 1 217 . 1 1 56 56 VAL C C 13 177.2 0.1 . 1 . . . . 56 V C . 15496 1 218 . 1 1 56 56 VAL CA C 13 61.0 0.1 . 1 . . . . 56 V CA . 15496 1 219 . 1 1 56 56 VAL N N 15 131.3 0.1 . 1 . . . . 56 V N . 15496 1 220 . 1 1 57 57 GLY H H 1 8.76 0.01 . 1 . . . . 57 G HN . 15496 1 221 . 1 1 57 57 GLY C C 13 175.6 0.1 . 1 . . . . 57 G C . 15496 1 222 . 1 1 57 57 GLY CA C 13 47.8 0.1 . 1 . . . . 57 G CA . 15496 1 223 . 1 1 57 57 GLY N N 15 118.1 0.1 . 1 . . . . 57 G N . 15496 1 224 . 1 1 58 58 ASP H H 1 7.82 0.01 . 1 . . . . 58 D HN . 15496 1 225 . 1 1 58 58 ASP C C 13 178.3 0.1 . 1 . . . . 58 D C . 15496 1 226 . 1 1 58 58 ASP CA C 13 52.3 0.1 . 1 . . . . 58 D CA . 15496 1 227 . 1 1 58 58 ASP N N 15 117.4 0.1 . 1 . . . . 58 D N . 15496 1 228 . 1 1 59 59 GLY H H 1 7.23 0.01 . 1 . . . . 59 G HN . 15496 1 229 . 1 1 59 59 GLY C C 13 173.7 0.1 . 1 . . . . 59 G C . 15496 1 230 . 1 1 59 59 GLY CA C 13 46.3 0.1 . 1 . . . . 59 G CA . 15496 1 231 . 1 1 59 59 GLY N N 15 106.2 0.1 . 1 . . . . 59 G N . 15496 1 232 . 1 1 60 60 LYS H H 1 7.74 0.01 . 1 . . . . 60 K HN . 15496 1 233 . 1 1 60 60 LYS C C 13 175.1 0.1 . 1 . . . . 60 K C . 15496 1 234 . 1 1 60 60 LYS CA C 13 54.3 0.1 . 1 . . . . 60 K CA . 15496 1 235 . 1 1 60 60 LYS N N 15 119.3 0.1 . 1 . . . . 60 K N . 15496 1 236 . 1 1 61 61 TYR H H 1 8.37 0.01 . 1 . . . . 61 Y HN . 15496 1 237 . 1 1 61 61 TYR C C 13 177.7 0.1 . 1 . . . . 61 Y C . 15496 1 238 . 1 1 61 61 TYR CA C 13 61.2 0.1 . 1 . . . . 61 Y CA . 15496 1 239 . 1 1 61 61 TYR N N 15 120.2 0.1 . 1 . . . . 61 Y N . 15496 1 240 . 1 1 62 62 GLY H H 1 8.19 0.01 . 1 . . . . 62 G HN . 15496 1 241 . 1 1 62 62 GLY C C 13 172.6 0.1 . 1 . . . . 62 G C . 15496 1 242 . 1 1 62 62 GLY CA C 13 47.4 0.1 . 1 . . . . 62 G CA . 15496 1 243 . 1 1 62 62 GLY N N 15 105.0 0.1 . 1 . . . . 62 G N . 15496 1 244 . 1 1 63 63 ALA H H 1 8.65 0.01 . 1 . . . . 63 A HN . 15496 1 245 . 1 1 63 63 ALA C C 13 173.8 0.1 . 1 . . . . 63 A C . 15496 1 246 . 1 1 63 63 ALA CA C 13 51.2 0.1 . 1 . . . . 63 A CA . 15496 1 247 . 1 1 63 63 ALA N N 15 135.6 0.1 . 1 . . . . 63 A N . 15496 1 248 . 1 1 64 64 ARG H H 1 7.74 0.01 . 1 . . . . 64 R HN . 15496 1 249 . 1 1 64 64 ARG C C 13 176.0 0.1 . 1 . . . . 64 R C . 15496 1 250 . 1 1 64 64 ARG CA C 13 54.0 0.1 . 1 . . . . 64 R CA . 15496 1 251 . 1 1 64 64 ARG N N 15 122.4 0.1 . 1 . . . . 64 R N . 15496 1 252 . 1 1 65 65 ASP H H 1 7.81 0.01 . 1 . . . . 65 D HN . 15496 1 253 . 1 1 65 65 ASP C C 13 177.4 0.1 . 1 . . . . 65 D C . 15496 1 254 . 1 1 65 65 ASP CA C 13 54.7 0.1 . 1 . . . . 65 D CA . 15496 1 255 . 1 1 65 65 ASP N N 15 130.4 0.1 . 1 . . . . 65 D N . 15496 1 256 . 1 1 66 66 ALA H H 1 8.68 0.01 . 1 . . . . 66 A HN . 15496 1 257 . 1 1 66 66 ALA C C 13 178.1 0.1 . 1 . . . . 66 A C . 15496 1 258 . 1 1 66 66 ALA CA C 13 54.3 0.1 . 1 . . . . 66 A CA . 15496 1 259 . 1 1 66 66 ALA N N 15 129.6 0.1 . 1 . . . . 66 A N . 15496 1 260 . 1 1 67 67 ASP H H 1 8.37 0.01 . 1 . . . . 67 D HN . 15496 1 261 . 1 1 67 67 ASP C C 13 177.9 0.1 . 1 . . . . 67 D C . 15496 1 262 . 1 1 67 67 ASP CA C 13 55.8 0.1 . 1 . . . . 67 D CA . 15496 1 263 . 1 1 67 67 ASP N N 15 116.2 0.1 . 1 . . . . 67 D N . 15496 1 264 . 1 1 68 68 THR H H 1 8.58 0.01 . 1 . . . . 68 T HN . 15496 1 265 . 1 1 68 68 THR C C 13 175.9 0.1 . 1 . . . . 68 T C . 15496 1 266 . 1 1 68 68 THR CA C 13 61.9 0.1 . 1 . . . . 68 T CA . 15496 1 267 . 1 1 68 68 THR N N 15 110.5 0.1 . 1 . . . . 68 T N . 15496 1 268 . 1 1 69 69 LYS H H 1 7.75 0.01 . 1 . . . . 69 K HN . 15496 1 269 . 1 1 69 69 LYS C C 13 174.8 0.1 . 1 . . . . 69 K C . 15496 1 270 . 1 1 69 69 LYS CA C 13 57.1 0.1 . 1 . . . . 69 K CA . 15496 1 271 . 1 1 69 69 LYS N N 15 114.7 0.1 . 1 . . . . 69 K N . 15496 1 272 . 1 1 70 70 ILE H H 1 7.36 0.01 . 1 . . . . 70 I HN . 15496 1 273 . 1 1 70 70 ILE C C 13 178.0 0.1 . 1 . . . . 70 I C . 15496 1 274 . 1 1 70 70 ILE CA C 13 59.7 0.1 . 1 . . . . 70 I CA . 15496 1 275 . 1 1 70 70 ILE N N 15 120.2 0.1 . 1 . . . . 70 I N . 15496 1 276 . 1 1 71 71 TRP H H 1 8.66 0.01 . 1 . . . . 71 W HN . 15496 1 277 . 1 1 71 71 TRP C C 13 175.3 0.1 . 1 . . . . 71 W C . 15496 1 278 . 1 1 71 71 TRP CA C 13 58.0 0.1 . 1 . . . . 71 W CA . 15496 1 279 . 1 1 71 71 TRP N N 15 129.8 0.1 . 1 . . . . 71 W N . 15496 1 280 . 1 1 72 72 ASN H H 1 8.36 0.01 . 1 . . . . 72 N HN . 15496 1 281 . 1 1 72 72 ASN C C 13 176.7 0.1 . 1 . . . . 72 N C . 15496 1 282 . 1 1 72 72 ASN CA C 13 49.6 0.1 . 1 . . . . 72 N CA . 15496 1 283 . 1 1 72 72 ASN N N 15 121.0 0.1 . 1 . . . . 72 N N . 15496 1 284 . 1 1 73 73 GLY H H 1 10.13 0.01 . 1 . . . . 73 G HN . 15496 1 285 . 1 1 73 73 GLY C C 13 176.4 0.1 . 1 . . . . 73 G C . 15496 1 286 . 1 1 73 73 GLY CA C 13 46.2 0.1 . 1 . . . . 73 G CA . 15496 1 287 . 1 1 73 73 GLY N N 15 107.2 0.1 . 1 . . . . 73 G N . 15496 1 288 . 1 1 74 74 MET H H 1 7.30 0.01 . 1 . . . . 74 M HN . 15496 1 289 . 1 1 74 74 MET C C 13 177.9 0.1 . 1 . . . . 74 M C . 15496 1 290 . 1 1 74 74 MET CA C 13 58.9 0.1 . 1 . . . . 74 M CA . 15496 1 291 . 1 1 74 74 MET N N 15 124.1 0.1 . 1 . . . . 74 M N . 15496 1 292 . 1 1 75 75 VAL H H 1 7.58 0.01 . 1 . . . . 75 V HN . 15496 1 293 . 1 1 75 75 VAL C C 13 177.0 0.1 . 1 . . . . 75 V C . 15496 1 294 . 1 1 75 75 VAL CA C 13 66.9 0.1 . 1 . . . . 75 V CA . 15496 1 295 . 1 1 75 75 VAL N N 15 115.2 0.1 . 1 . . . . 75 V N . 15496 1 296 . 1 1 76 76 GLY H H 1 7.74 0.01 . 1 . . . . 76 G HN . 15496 1 297 . 1 1 76 76 GLY C C 13 174.3 0.1 . 1 . . . . 76 G C . 15496 1 298 . 1 1 76 76 GLY CA C 13 46.8 0.1 . 1 . . . . 76 G CA . 15496 1 299 . 1 1 76 76 GLY N N 15 107.2 0.1 . 1 . . . . 76 G N . 15496 1 300 . 1 1 77 77 GLU H H 1 7.67 0.01 . 1 . . . . 77 E HN . 15496 1 301 . 1 1 77 77 GLU C C 13 178.8 0.1 . 1 . . . . 77 E C . 15496 1 302 . 1 1 77 77 GLU CA C 13 60.0 0.1 . 1 . . . . 77 E CA . 15496 1 303 . 1 1 77 77 GLU N N 15 119.3 0.1 . 1 . . . . 77 E N . 15496 1 304 . 1 1 78 78 LEU H H 1 7.26 0.01 . 1 . . . . 78 L HN . 15496 1 305 . 1 1 78 78 LEU C C 13 179.3 0.1 . 1 . . . . 78 L C . 15496 1 306 . 1 1 78 78 LEU CA C 13 56.5 0.1 . 1 . . . . 78 L CA . 15496 1 307 . 1 1 78 78 LEU N N 15 117.5 0.1 . 1 . . . . 78 L N . 15496 1 308 . 1 1 79 79 VAL H H 1 8.13 0.01 . 1 . . . . 79 V HN . 15496 1 309 . 1 1 79 79 VAL C C 13 178.5 0.1 . 1 . . . . 79 V C . 15496 1 310 . 1 1 79 79 VAL CA C 13 65.0 0.1 . 1 . . . . 79 V CA . 15496 1 311 . 1 1 79 79 VAL N N 15 120.1 0.1 . 1 . . . . 79 V N . 15496 1 312 . 1 1 80 80 TYR H H 1 8.10 0.01 . 1 . . . . 80 Y HN . 15496 1 313 . 1 1 80 80 TYR C C 13 177.0 0.1 . 1 . . . . 80 Y C . 15496 1 314 . 1 1 80 80 TYR CA C 13 56.4 0.1 . 1 . . . . 80 Y CA . 15496 1 315 . 1 1 80 80 TYR N N 15 115.3 0.1 . 1 . . . . 80 Y N . 15496 1 316 . 1 1 81 81 GLY H H 1 7.18 0.01 . 1 . . . . 81 G HN . 15496 1 317 . 1 1 81 81 GLY C C 13 175.1 0.1 . 1 . . . . 81 G C . 15496 1 318 . 1 1 81 81 GLY CA C 13 46.8 0.1 . 1 . . . . 81 G CA . 15496 1 319 . 1 1 81 81 GLY N N 15 107.4 0.1 . 1 . . . . 81 G N . 15496 1 320 . 1 1 82 82 LYS H H 1 8.65 0.01 . 1 . . . . 82 K HN . 15496 1 321 . 1 1 82 82 LYS C C 13 175.7 0.1 . 1 . . . . 82 K C . 15496 1 322 . 1 1 82 82 LYS CA C 13 55.8 0.1 . 1 . . . . 82 K CA . 15496 1 323 . 1 1 82 82 LYS N N 15 119.3 0.1 . 1 . . . . 82 K N . 15496 1 324 . 1 1 83 83 ALA H H 1 7.40 0.01 . 1 . . . . 83 A HN . 15496 1 325 . 1 1 83 83 ALA C C 13 174.3 0.1 . 1 . . . . 83 A C . 15496 1 326 . 1 1 83 83 ALA CA C 13 50.2 0.1 . 1 . . . . 83 A CA . 15496 1 327 . 1 1 83 83 ALA N N 15 119.9 0.1 . 1 . . . . 83 A N . 15496 1 328 . 1 1 84 84 ASP H H 1 8.61 0.01 . 1 . . . . 84 D HN . 15496 1 329 . 1 1 84 84 ASP C C 13 175.1 0.1 . 1 . . . . 84 D C . 15496 1 330 . 1 1 84 84 ASP CA C 13 56.0 0.1 . 1 . . . . 84 D CA . 15496 1 331 . 1 1 84 84 ASP N N 15 118.2 0.1 . 1 . . . . 84 D N . 15496 1 332 . 1 1 85 85 ILE H H 1 7.53 0.01 . 1 . . . . 85 I HN . 15496 1 333 . 1 1 85 85 ILE C C 13 172.9 0.1 . 1 . . . . 85 I C . 15496 1 334 . 1 1 85 85 ILE CA C 13 59.0 0.1 . 1 . . . . 85 I CA . 15496 1 335 . 1 1 85 85 ILE N N 15 114.9 0.1 . 1 . . . . 85 I N . 15496 1 336 . 1 1 86 86 ALA H H 1 9.30 0.01 . 1 . . . . 86 A HN . 15496 1 337 . 1 1 86 86 ALA C C 13 177.9 0.1 . 1 . . . . 86 A C . 15496 1 338 . 1 1 86 86 ALA CA C 13 50.1 0.1 . 1 . . . . 86 A CA . 15496 1 339 . 1 1 86 86 ALA N N 15 128.5 0.1 . 1 . . . . 86 A N . 15496 1 340 . 1 1 87 87 ILE H H 1 7.48 0.01 . 1 . . . . 87 I HN . 15496 1 341 . 1 1 87 87 ILE C C 13 172.0 0.1 . 1 . . . . 87 I C . 15496 1 342 . 1 1 87 87 ILE CA C 13 61.5 0.1 . 1 . . . . 87 I CA . 15496 1 343 . 1 1 87 87 ILE N N 15 123.2 0.1 . 1 . . . . 87 I N . 15496 1 344 . 1 1 88 88 ALA H H 1 9.37 0.01 . 1 . . . . 88 A HN . 15496 1 345 . 1 1 88 88 ALA CA C 13 51.0 0.1 . 1 . . . . 88 A CA . 15496 1 346 . 1 1 88 88 ALA N N 15 132.1 0.1 . 1 . . . . 88 A N . 15496 1 347 . 1 1 89 89 PRO C C 13 172.3 0.1 . 1 . . . . 89 P C . 15496 1 348 . 1 1 89 89 PRO CA C 13 60.5 0.1 . 1 . . . . 89 P CA . 15496 1 349 . 1 1 90 90 LEU H H 1 7.81 0.01 . 1 . . . . 90 L HN . 15496 1 350 . 1 1 90 90 LEU C C 13 174.3 0.1 . 1 . . . . 90 L C . 15496 1 351 . 1 1 90 90 LEU CA C 13 52.7 0.1 . 1 . . . . 90 L CA . 15496 1 352 . 1 1 90 90 LEU N N 15 125.5 0.1 . 1 . . . . 90 L N . 15496 1 353 . 1 1 91 91 THR H H 1 8.09 0.01 . 1 . . . . 91 T HN . 15496 1 354 . 1 1 91 91 THR C C 13 174.1 0.1 . 1 . . . . 91 T C . 15496 1 355 . 1 1 91 91 THR CA C 13 64.7 0.1 . 1 . . . . 91 T CA . 15496 1 356 . 1 1 91 91 THR N N 15 124.4 0.1 . 1 . . . . 91 T N . 15496 1 357 . 1 1 92 92 ILE H H 1 8.08 0.01 . 1 . . . . 92 I HN . 15496 1 358 . 1 1 92 92 ILE C C 13 175.4 0.1 . 1 . . . . 92 I C . 15496 1 359 . 1 1 92 92 ILE CA C 13 62.3 0.1 . 1 . . . . 92 I CA . 15496 1 360 . 1 1 92 92 ILE N N 15 127.8 0.1 . 1 . . . . 92 I N . 15496 1 361 . 1 1 93 93 THR H H 1 6.44 0.01 . 1 . . . . 93 T HN . 15496 1 362 . 1 1 93 93 THR C C 13 174.1 0.1 . 1 . . . . 93 T C . 15496 1 363 . 1 1 93 93 THR CA C 13 57.7 0.1 . 1 . . . . 93 T CA . 15496 1 364 . 1 1 93 93 THR N N 15 118.0 0.1 . 1 . . . . 93 T N . 15496 1 365 . 1 1 94 94 LEU H H 1 8.50 0.01 . 1 . . . . 94 L HN . 15496 1 366 . 1 1 94 94 LEU C C 13 180.0 0.1 . 1 . . . . 94 L C . 15496 1 367 . 1 1 94 94 LEU CA C 13 57.7 0.1 . 1 . . . . 94 L CA . 15496 1 368 . 1 1 94 94 LEU N N 15 124.7 0.1 . 1 . . . . 94 L N . 15496 1 369 . 1 1 95 95 VAL H H 1 7.92 0.01 . 1 . . . . 95 V HN . 15496 1 370 . 1 1 95 95 VAL C C 13 178.8 0.1 . 1 . . . . 95 V C . 15496 1 371 . 1 1 95 95 VAL CA C 13 64.8 0.1 . 1 . . . . 95 V CA . 15496 1 372 . 1 1 95 95 VAL N N 15 116.0 0.1 . 1 . . . . 95 V N . 15496 1 373 . 1 1 96 96 ARG H H 1 7.30 0.01 . 1 . . . . 96 R HN . 15496 1 374 . 1 1 96 96 ARG C C 13 177.7 0.1 . 1 . . . . 96 R C . 15496 1 375 . 1 1 96 96 ARG CA C 13 59.1 0.1 . 1 . . . . 96 R CA . 15496 1 376 . 1 1 96 96 ARG N N 15 118.9 0.1 . 1 . . . . 96 R N . 15496 1 377 . 1 1 97 97 GLU H H 1 8.27 0.01 . 1 . . . . 97 E HN . 15496 1 378 . 1 1 97 97 GLU C C 13 176.4 0.1 . 1 . . . . 97 E C . 15496 1 379 . 1 1 97 97 GLU CA C 13 57.4 0.1 . 1 . . . . 97 E CA . 15496 1 380 . 1 1 97 97 GLU N N 15 119.0 0.1 . 1 . . . . 97 E N . 15496 1 381 . 1 1 98 98 GLU H H 1 7.21 0.01 . 1 . . . . 98 E HN . 15496 1 382 . 1 1 98 98 GLU C C 13 178.4 0.1 . 1 . . . . 98 E C . 15496 1 383 . 1 1 98 98 GLU CA C 13 58.6 0.1 . 1 . . . . 98 E CA . 15496 1 384 . 1 1 98 98 GLU N N 15 116.5 0.1 . 1 . . . . 98 E N . 15496 1 385 . 1 1 99 99 VAL H H 1 7.28 0.01 . 1 . . . . 99 V HN . 15496 1 386 . 1 1 99 99 VAL C C 13 174.5 0.1 . 1 . . . . 99 V C . 15496 1 387 . 1 1 99 99 VAL CA C 13 60.9 0.1 . 1 . . . . 99 V CA . 15496 1 388 . 1 1 99 99 VAL N N 15 106.7 0.1 . 1 . . . . 99 V N . 15496 1 389 . 1 1 100 100 ILE H H 1 7.62 0.01 . 1 . . . . 100 I HN . 15496 1 390 . 1 1 100 100 ILE C C 13 173.1 0.1 . 1 . . . . 100 I C . 15496 1 391 . 1 1 100 100 ILE CA C 13 59.1 0.1 . 1 . . . . 100 I CA . 15496 1 392 . 1 1 100 100 ILE N N 15 117.6 0.1 . 1 . . . . 100 I N . 15496 1 393 . 1 1 101 101 ASP H H 1 8.35 0.01 . 1 . . . . 101 D HN . 15496 1 394 . 1 1 101 101 ASP C C 13 175.2 0.1 . 1 . . . . 101 D C . 15496 1 395 . 1 1 101 101 ASP CA C 13 52.5 0.1 . 1 . . . . 101 D CA . 15496 1 396 . 1 1 101 101 ASP N N 15 118.3 0.1 . 1 . . . . 101 D N . 15496 1 397 . 1 1 102 102 PHE H H 1 8.58 0.01 . 1 . . . . 102 F HN . 15496 1 398 . 1 1 102 102 PHE C C 13 176.9 0.1 . 1 . . . . 102 F C . 15496 1 399 . 1 1 102 102 PHE CA C 13 56.2 0.1 . 1 . . . . 102 F CA . 15496 1 400 . 1 1 102 102 PHE N N 15 117.4 0.1 . 1 . . . . 102 F N . 15496 1 401 . 1 1 103 103 SER H H 1 8.76 0.01 . 1 . . . . 103 S HN . 15496 1 402 . 1 1 103 103 SER C C 13 175.3 0.1 . 1 . . . . 103 S C . 15496 1 403 . 1 1 103 103 SER CA C 13 57.9 0.1 . 1 . . . . 103 S CA . 15496 1 404 . 1 1 103 103 SER N N 15 116.3 0.1 . 1 . . . . 103 S N . 15496 1 405 . 1 1 104 104 LYS H H 1 8.53 0.01 . 1 . . . . 104 K HN . 15496 1 406 . 1 1 104 104 LYS CA C 13 54.6 0.1 . 1 . . . . 104 K CA . 15496 1 407 . 1 1 104 104 LYS N N 15 120.0 0.1 . 1 . . . . 104 K N . 15496 1 408 . 1 1 105 105 PRO C C 13 177.6 0.1 . 1 . . . . 105 P C . 15496 1 409 . 1 1 105 105 PRO CA C 13 62.7 0.1 . 1 . . . . 105 P CA . 15496 1 410 . 1 1 106 106 PHE H H 1 8.24 0.01 . 1 . . . . 106 F HN . 15496 1 411 . 1 1 106 106 PHE C C 13 173.9 0.1 . 1 . . . . 106 F C . 15496 1 412 . 1 1 106 106 PHE CA C 13 55.3 0.1 . 1 . . . . 106 F CA . 15496 1 413 . 1 1 106 106 PHE N N 15 117.2 0.1 . 1 . . . . 106 F N . 15496 1 414 . 1 1 107 107 MET H H 1 6.68 0.01 . 1 . . . . 107 M HN . 15496 1 415 . 1 1 107 107 MET C C 13 173.4 0.1 . 1 . . . . 107 M C . 15496 1 416 . 1 1 107 107 MET CA C 13 55.7 0.1 . 1 . . . . 107 M CA . 15496 1 417 . 1 1 107 107 MET N N 15 119.8 0.1 . 1 . . . . 107 M N . 15496 1 418 . 1 1 108 108 SER H H 1 8.24 0.01 . 1 . . . . 108 S HN . 15496 1 419 . 1 1 108 108 SER C C 13 172.7 0.1 . 1 . . . . 108 S C . 15496 1 420 . 1 1 108 108 SER CA C 13 57.2 0.1 . 1 . . . . 108 S CA . 15496 1 421 . 1 1 108 108 SER N N 15 120.6 0.1 . 1 . . . . 108 S N . 15496 1 422 . 1 1 109 109 LEU H H 1 8.05 0.01 . 1 . . . . 109 L HN . 15496 1 423 . 1 1 109 109 LEU C C 13 173.8 0.1 . 1 . . . . 109 L C . 15496 1 424 . 1 1 109 109 LEU CA C 13 54.8 0.1 . 1 . . . . 109 L CA . 15496 1 425 . 1 1 109 109 LEU N N 15 119.5 0.1 . 1 . . . . 109 L N . 15496 1 426 . 1 1 110 110 GLY H H 1 8.05 0.01 . 1 . . . . 110 G HN . 15496 1 427 . 1 1 110 110 GLY C C 13 172.6 0.1 . 1 . . . . 110 G C . 15496 1 428 . 1 1 110 110 GLY CA C 13 44.6 0.1 . 1 . . . . 110 G CA . 15496 1 429 . 1 1 110 110 GLY N N 15 105.4 0.1 . 1 . . . . 110 G N . 15496 1 430 . 1 1 111 111 ILE H H 1 9.36 0.01 . 1 . . . . 111 I HN . 15496 1 431 . 1 1 111 111 ILE C C 13 173.7 0.1 . 1 . . . . 111 I C . 15496 1 432 . 1 1 111 111 ILE CA C 13 64.2 0.1 . 1 . . . . 111 I CA . 15496 1 433 . 1 1 111 111 ILE N N 15 125.2 0.1 . 1 . . . . 111 I N . 15496 1 434 . 1 1 112 112 SER H H 1 8.80 0.01 . 1 . . . . 112 S HN . 15496 1 435 . 1 1 112 112 SER C C 13 171.0 0.1 . 1 . . . . 112 S C . 15496 1 436 . 1 1 112 112 SER CA C 13 56.3 0.1 . 1 . . . . 112 S CA . 15496 1 437 . 1 1 112 112 SER N N 15 122.1 0.1 . 1 . . . . 112 S N . 15496 1 438 . 1 1 113 113 ILE H H 1 8.42 0.01 . 1 . . . . 113 I HN . 15496 1 439 . 1 1 113 113 ILE C C 13 175.4 0.1 . 1 . . . . 113 I C . 15496 1 440 . 1 1 113 113 ILE CA C 13 60.7 0.1 . 1 . . . . 113 I CA . 15496 1 441 . 1 1 113 113 ILE N N 15 118.9 0.1 . 1 . . . . 113 I N . 15496 1 442 . 1 1 114 114 MET H H 1 9.47 0.01 . 1 . . . . 114 M HN . 15496 1 443 . 1 1 114 114 MET C C 13 174.8 0.1 . 1 . . . . 114 M C . 15496 1 444 . 1 1 114 114 MET CA C 13 54.1 0.1 . 1 . . . . 114 M CA . 15496 1 445 . 1 1 114 114 MET N N 15 131.5 0.1 . 1 . . . . 114 M N . 15496 1 446 . 1 1 115 115 ILE H H 1 8.36 0.01 . 1 . . . . 115 I HN . 15496 1 447 . 1 1 115 115 ILE C C 13 175.7 0.1 . 1 . . . . 115 I C . 15496 1 448 . 1 1 115 115 ILE CA C 13 58.1 0.1 . 1 . . . . 115 I CA . 15496 1 449 . 1 1 115 115 ILE N N 15 117.7 0.1 . 1 . . . . 115 I N . 15496 1 450 . 1 1 116 116 LYS H H 1 8.55 0.01 . 1 . . . . 116 K HN . 15496 1 451 . 1 1 116 116 LYS C C 13 177.8 0.1 . 1 . . . . 116 K C . 15496 1 452 . 1 1 116 116 LYS CA C 13 54.9 0.1 . 1 . . . . 116 K CA . 15496 1 453 . 1 1 116 116 LYS N N 15 123.0 0.1 . 1 . . . . 116 K N . 15496 1 454 . 1 1 117 117 LYS H H 1 8.65 0.01 . 1 . . . . 117 K HN . 15496 1 455 . 1 1 117 117 LYS C C 13 176.9 0.1 . 1 . . . . 117 K C . 15496 1 456 . 1 1 117 117 LYS CA C 13 59.5 0.1 . 1 . . . . 117 K CA . 15496 1 457 . 1 1 117 117 LYS N N 15 130.6 0.1 . 1 . . . . 117 K N . 15496 1 458 . 1 1 118 118 GLY H H 1 8.68 0.01 . 1 . . . . 118 G HN . 15496 1 459 . 1 1 118 118 GLY CA C 13 44.0 0.1 . 1 . . . . 118 G CA . 15496 1 460 . 1 1 118 118 GLY N N 15 113.4 0.1 . 1 . . . . 118 G N . 15496 1 461 . 1 1 123 123 SER C C 13 174.1 0.1 . 1 . . . . 123 S C . 15496 1 462 . 1 1 123 123 SER CA C 13 56.3 0.1 . 1 . . . . 123 S CA . 15496 1 463 . 1 1 124 124 ALA H H 1 9.07 0.01 . 1 . . . . 124 A HN . 15496 1 464 . 1 1 124 124 ALA C C 13 178.4 0.1 . 1 . . . . 124 A C . 15496 1 465 . 1 1 124 124 ALA CA C 13 54.7 0.1 . 1 . . . . 124 A CA . 15496 1 466 . 1 1 124 124 ALA N N 15 123.6 0.1 . 1 . . . . 124 A N . 15496 1 467 . 1 1 125 125 GLU H H 1 8.53 0.01 . 1 . . . . 125 E HN . 15496 1 468 . 1 1 125 125 GLU C C 13 179.8 0.1 . 1 . . . . 125 E C . 15496 1 469 . 1 1 125 125 GLU CA C 13 59.6 0.1 . 1 . . . . 125 E CA . 15496 1 470 . 1 1 125 125 GLU N N 15 118.3 0.1 . 1 . . . . 125 E N . 15496 1 471 . 1 1 126 126 ASP H H 1 7.85 0.01 . 1 . . . . 126 D HN . 15496 1 472 . 1 1 126 126 ASP CA C 13 57.0 0.1 . 1 . . . . 126 D CA . 15496 1 473 . 1 1 126 126 ASP N N 15 119.9 0.1 . 1 . . . . 126 D N . 15496 1 474 . 1 1 127 127 LEU C C 13 178.9 0.1 . 1 . . . . 127 L C . 15496 1 475 . 1 1 127 127 LEU CA C 13 57.0 0.1 . 1 . . . . 127 L CA . 15496 1 476 . 1 1 128 128 SER H H 1 7.99 0.01 . 1 . . . . 128 S HN . 15496 1 477 . 1 1 128 128 SER C C 13 174.9 0.1 . 1 . . . . 128 S C . 15496 1 478 . 1 1 128 128 SER CA C 13 60.6 0.1 . 1 . . . . 128 S CA . 15496 1 479 . 1 1 128 128 SER N N 15 111.9 0.1 . 1 . . . . 128 S N . 15496 1 480 . 1 1 129 129 LYS H H 1 7.00 0.01 . 1 . . . . 129 K HN . 15496 1 481 . 1 1 129 129 LYS C C 13 174.7 0.1 . 1 . . . . 129 K C . 15496 1 482 . 1 1 129 129 LYS CA C 13 56.1 0.1 . 1 . . . . 129 K CA . 15496 1 483 . 1 1 129 129 LYS N N 15 120.7 0.1 . 1 . . . . 129 K N . 15496 1 484 . 1 1 130 130 GLN H H 1 7.67 0.01 . 1 . . . . 130 Q HN . 15496 1 485 . 1 1 130 130 GLN C C 13 174.1 0.1 . 1 . . . . 130 Q C . 15496 1 486 . 1 1 130 130 GLN CA C 13 53.1 0.1 . 1 . . . . 130 Q CA . 15496 1 487 . 1 1 130 130 GLN N N 15 116.8 0.1 . 1 . . . . 130 Q N . 15496 1 488 . 1 1 131 131 THR H H 1 8.52 0.01 . 1 . . . . 131 T HN . 15496 1 489 . 1 1 131 131 THR C C 13 174.3 0.1 . 1 . . . . 131 T C . 15496 1 490 . 1 1 131 131 THR CA C 13 60.8 0.1 . 1 . . . . 131 T CA . 15496 1 491 . 1 1 131 131 THR N N 15 107.1 0.1 . 1 . . . . 131 T N . 15496 1 492 . 1 1 132 132 GLU H H 1 7.33 0.01 . 1 . . . . 132 E HN . 15496 1 493 . 1 1 132 132 GLU C C 13 176.6 0.1 . 1 . . . . 132 E C . 15496 1 494 . 1 1 132 132 GLU CA C 13 58.8 0.1 . 1 . . . . 132 E CA . 15496 1 495 . 1 1 132 132 GLU N N 15 125.5 0.1 . 1 . . . . 132 E N . 15496 1 496 . 1 1 133 133 ILE H H 1 9.71 0.01 . 1 . . . . 133 I HN . 15496 1 497 . 1 1 133 133 ILE C C 13 176.0 0.1 . 1 . . . . 133 I C . 15496 1 498 . 1 1 133 133 ILE CA C 13 60.5 0.1 . 1 . . . . 133 I CA . 15496 1 499 . 1 1 133 133 ILE N N 15 122.5 0.1 . 1 . . . . 133 I N . 15496 1 500 . 1 1 134 134 ALA H H 1 7.84 0.01 . 1 . . . . 134 A HN . 15496 1 501 . 1 1 134 134 ALA C C 13 175.3 0.1 . 1 . . . . 134 A C . 15496 1 502 . 1 1 134 134 ALA CA C 13 50.9 0.1 . 1 . . . . 134 A CA . 15496 1 503 . 1 1 134 134 ALA N N 15 130.5 0.1 . 1 . . . . 134 A N . 15496 1 504 . 1 1 135 135 TYR H H 1 6.39 0.01 . 1 . . . . 135 Y HN . 15496 1 505 . 1 1 135 135 TYR C C 13 172.8 0.1 . 1 . . . . 135 Y C . 15496 1 506 . 1 1 135 135 TYR CA C 13 54.0 0.1 . 1 . . . . 135 Y CA . 15496 1 507 . 1 1 135 135 TYR N N 15 112.4 0.1 . 1 . . . . 135 Y N . 15496 1 508 . 1 1 136 136 GLY H H 1 6.89 0.01 . 1 . . . . 136 G HN . 15496 1 509 . 1 1 136 136 GLY C C 13 171.1 0.1 . 1 . . . . 136 G C . 15496 1 510 . 1 1 136 136 GLY CA C 13 44.6 0.1 . 1 . . . . 136 G CA . 15496 1 511 . 1 1 136 136 GLY N N 15 100.6 0.1 . 1 . . . . 136 G N . 15496 1 512 . 1 1 137 137 THR H H 1 6.17 0.01 . 1 . . . . 137 T HN . 15496 1 513 . 1 1 137 137 THR C C 13 175.5 0.1 . 1 . . . . 137 T C . 15496 1 514 . 1 1 137 137 THR CA C 13 59.8 0.1 . 1 . . . . 137 T CA . 15496 1 515 . 1 1 137 137 THR N N 15 106.0 0.1 . 1 . . . . 137 T N . 15496 1 516 . 1 1 138 138 LEU H H 1 8.74 0.01 . 1 . . . . 138 L HN . 15496 1 517 . 1 1 138 138 LEU C C 13 179.5 0.1 . 1 . . . . 138 L C . 15496 1 518 . 1 1 138 138 LEU CA C 13 56.2 0.1 . 1 . . . . 138 L CA . 15496 1 519 . 1 1 138 138 LEU N N 15 121.9 0.1 . 1 . . . . 138 L N . 15496 1 520 . 1 1 139 139 ASP H H 1 8.70 0.01 . 1 . . . . 139 D HN . 15496 1 521 . 1 1 139 139 ASP C C 13 175.5 0.1 . 1 . . . . 139 D C . 15496 1 522 . 1 1 139 139 ASP CA C 13 55.0 0.1 . 1 . . . . 139 D CA . 15496 1 523 . 1 1 139 139 ASP N N 15 119.8 0.1 . 1 . . . . 139 D N . 15496 1 524 . 1 1 140 140 SER H H 1 7.54 0.01 . 1 . . . . 140 S HN . 15496 1 525 . 1 1 140 140 SER C C 13 173.7 0.1 . 1 . . . . 140 S C . 15496 1 526 . 1 1 140 140 SER CA C 13 56.8 0.1 . 1 . . . . 140 S CA . 15496 1 527 . 1 1 140 140 SER N N 15 113.1 0.1 . 1 . . . . 140 S N . 15496 1 528 . 1 1 141 141 GLY H H 1 8.40 0.01 . 1 . . . . 141 G HN . 15496 1 529 . 1 1 141 141 GLY C C 13 174.0 0.1 . 1 . . . . 141 G C . 15496 1 530 . 1 1 141 141 GLY CA C 13 44.3 0.1 . 1 . . . . 141 G CA . 15496 1 531 . 1 1 141 141 GLY N N 15 110.8 0.1 . 1 . . . . 141 G N . 15496 1 532 . 1 1 142 142 SER H H 1 8.39 0.01 . 1 . . . . 142 S HN . 15496 1 533 . 1 1 142 142 SER C C 13 177.7 0.1 . 1 . . . . 142 S C . 15496 1 534 . 1 1 142 142 SER CA C 13 62.0 0.1 . 1 . . . . 142 S CA . 15496 1 535 . 1 1 142 142 SER N N 15 116.3 0.1 . 1 . . . . 142 S N . 15496 1 536 . 1 1 143 143 THR H H 1 9.73 0.01 . 1 . . . . 143 T HN . 15496 1 537 . 1 1 143 143 THR C C 13 175.9 0.1 . 1 . . . . 143 T C . 15496 1 538 . 1 1 143 143 THR CA C 13 67.5 0.1 . 1 . . . . 143 T CA . 15496 1 539 . 1 1 143 143 THR N N 15 127.4 0.1 . 1 . . . . 143 T N . 15496 1 540 . 1 1 144 144 LYS H H 1 8.92 0.01 . 1 . . . . 144 K HN . 15496 1 541 . 1 1 144 144 LYS C C 13 178.6 0.1 . 1 . . . . 144 K C . 15496 1 542 . 1 1 144 144 LYS CA C 13 60.6 0.1 . 1 . . . . 144 K CA . 15496 1 543 . 1 1 144 144 LYS N N 15 124.4 0.1 . 1 . . . . 144 K N . 15496 1 544 . 1 1 145 145 GLU H H 1 7.57 0.01 . 1 . . . . 145 E HN . 15496 1 545 . 1 1 145 145 GLU C C 13 178.0 0.1 . 1 . . . . 145 E C . 15496 1 546 . 1 1 145 145 GLU CA C 13 57.9 0.1 . 1 . . . . 145 E CA . 15496 1 547 . 1 1 145 145 GLU N N 15 114.7 0.1 . 1 . . . . 145 E N . 15496 1 548 . 1 1 146 146 PHE H H 1 7.79 0.01 . 1 . . . . 146 F HN . 15496 1 549 . 1 1 146 146 PHE C C 13 177.8 0.1 . 1 . . . . 146 F C . 15496 1 550 . 1 1 146 146 PHE CA C 13 60.6 0.1 . 1 . . . . 146 F CA . 15496 1 551 . 1 1 146 146 PHE N N 15 120.7 0.1 . 1 . . . . 146 F N . 15496 1 552 . 1 1 147 147 PHE H H 1 7.27 0.01 . 1 . . . . 147 F HN . 15496 1 553 . 1 1 147 147 PHE C C 13 175.8 0.1 . 1 . . . . 147 F C . 15496 1 554 . 1 1 147 147 PHE CA C 13 63.0 0.1 . 1 . . . . 147 F CA . 15496 1 555 . 1 1 147 147 PHE N N 15 117.0 0.1 . 1 . . . . 147 F N . 15496 1 556 . 1 1 148 148 ARG H H 1 7.39 0.01 . 1 . . . . 148 R HN . 15496 1 557 . 1 1 148 148 ARG C C 13 177.0 0.1 . 1 . . . . 148 R C . 15496 1 558 . 1 1 148 148 ARG CA C 13 57.4 0.1 . 1 . . . . 148 R CA . 15496 1 559 . 1 1 148 148 ARG N N 15 118.8 0.1 . 1 . . . . 148 R N . 15496 1 560 . 1 1 149 149 ARG H H 1 7.00 0.01 . 1 . . . . 149 R HN . 15496 1 561 . 1 1 149 149 ARG C C 13 177.0 0.1 . 1 . . . . 149 R C . 15496 1 562 . 1 1 149 149 ARG CA C 13 54.5 0.1 . 1 . . . . 149 R CA . 15496 1 563 . 1 1 149 149 ARG N N 15 112.4 0.1 . 1 . . . . 149 R N . 15496 1 564 . 1 1 150 150 SER H H 1 6.86 0.01 . 1 . . . . 150 S HN . 15496 1 565 . 1 1 150 150 SER C C 13 176.4 0.1 . 1 . . . . 150 S C . 15496 1 566 . 1 1 150 150 SER CA C 13 60.1 0.1 . 1 . . . . 150 S CA . 15496 1 567 . 1 1 150 150 SER N N 15 115.2 0.1 . 1 . . . . 150 S N . 15496 1 568 . 1 1 151 151 LYS H H 1 8.74 0.01 . 1 . . . . 151 K HN . 15496 1 569 . 1 1 151 151 LYS C C 13 176.9 0.1 . 1 . . . . 151 K C . 15496 1 570 . 1 1 151 151 LYS CA C 13 54.6 0.1 . 1 . . . . 151 K CA . 15496 1 571 . 1 1 151 151 LYS N N 15 125.5 0.1 . 1 . . . . 151 K N . 15496 1 572 . 1 1 152 152 ILE H H 1 8.04 0.01 . 1 . . . . 152 I HN . 15496 1 573 . 1 1 152 152 ILE C C 13 177.4 0.1 . 1 . . . . 152 I C . 15496 1 574 . 1 1 152 152 ILE CA C 13 60.3 0.1 . 1 . . . . 152 I CA . 15496 1 575 . 1 1 152 152 ILE N N 15 125.4 0.1 . 1 . . . . 152 I N . 15496 1 576 . 1 1 153 153 ALA H H 1 8.61 0.01 . 1 . . . . 153 A HN . 15496 1 577 . 1 1 153 153 ALA C C 13 180.3 0.1 . 1 . . . . 153 A C . 15496 1 578 . 1 1 153 153 ALA CA C 13 56.2 0.1 . 1 . . . . 153 A CA . 15496 1 579 . 1 1 153 153 ALA N N 15 132.2 0.1 . 1 . . . . 153 A N . 15496 1 580 . 1 1 154 154 VAL H H 1 8.01 0.01 . 1 . . . . 154 V HN . 15496 1 581 . 1 1 154 154 VAL C C 13 176.4 0.1 . 1 . . . . 154 V C . 15496 1 582 . 1 1 154 154 VAL CA C 13 65.6 0.1 . 1 . . . . 154 V CA . 15496 1 583 . 1 1 154 154 VAL N N 15 117.0 0.1 . 1 . . . . 154 V N . 15496 1 584 . 1 1 155 155 PHE H H 1 6.20 0.01 . 1 . . . . 155 F HN . 15496 1 585 . 1 1 155 155 PHE C C 13 178.0 0.1 . 1 . . . . 155 F C . 15496 1 586 . 1 1 155 155 PHE CA C 13 57.5 0.1 . 1 . . . . 155 F CA . 15496 1 587 . 1 1 155 155 PHE N N 15 120.6 0.1 . 1 . . . . 155 F N . 15496 1 588 . 1 1 156 156 ASP H H 1 8.72 0.01 . 1 . . . . 156 D HN . 15496 1 589 . 1 1 156 156 ASP C C 13 179.4 0.1 . 1 . . . . 156 D C . 15496 1 590 . 1 1 156 156 ASP CA C 13 56.6 0.1 . 1 . . . . 156 D CA . 15496 1 591 . 1 1 156 156 ASP N N 15 122.7 0.1 . 1 . . . . 156 D N . 15496 1 592 . 1 1 157 157 LYS H H 1 8.40 0.01 . 1 . . . . 157 K HN . 15496 1 593 . 1 1 157 157 LYS C C 13 180.1 0.1 . 1 . . . . 157 K C . 15496 1 594 . 1 1 157 157 LYS CA C 13 59.5 0.1 . 1 . . . . 157 K CA . 15496 1 595 . 1 1 157 157 LYS N N 15 123.1 0.1 . 1 . . . . 157 K N . 15496 1 596 . 1 1 158 158 MET H H 1 8.08 0.01 . 1 . . . . 158 M HN . 15496 1 597 . 1 1 158 158 MET C C 13 178.2 0.1 . 1 . . . . 158 M C . 15496 1 598 . 1 1 158 158 MET CA C 13 58.5 0.1 . 1 . . . . 158 M CA . 15496 1 599 . 1 1 158 158 MET N N 15 119.5 0.1 . 1 . . . . 158 M N . 15496 1 600 . 1 1 159 159 TRP H H 1 9.24 0.01 . 1 . . . . 159 W HN . 15496 1 601 . 1 1 159 159 TRP C C 13 176.6 0.1 . 1 . . . . 159 W C . 15496 1 602 . 1 1 159 159 TRP CA C 13 59.3 0.1 . 1 . . . . 159 W CA . 15496 1 603 . 1 1 159 159 TRP N N 15 122.5 0.1 . 1 . . . . 159 W N . 15496 1 604 . 1 1 160 160 THR H H 1 8.63 0.01 . 1 . . . . 160 T HN . 15496 1 605 . 1 1 160 160 THR C C 13 176.7 0.1 . 1 . . . . 160 T C . 15496 1 606 . 1 1 160 160 THR CA C 13 66.6 0.1 . 1 . . . . 160 T CA . 15496 1 607 . 1 1 160 160 THR N N 15 114.7 0.1 . 1 . . . . 160 T N . 15496 1 608 . 1 1 161 161 TYR H H 1 7.67 0.01 . 1 . . . . 161 Y HN . 15496 1 609 . 1 1 161 161 TYR C C 13 177.2 0.1 . 1 . . . . 161 Y C . 15496 1 610 . 1 1 161 161 TYR CA C 13 60.4 0.1 . 1 . . . . 161 Y CA . 15496 1 611 . 1 1 161 161 TYR N N 15 122.3 0.1 . 1 . . . . 161 Y N . 15496 1 612 . 1 1 162 162 MET H H 1 8.52 0.01 . 1 . . . . 162 M HN . 15496 1 613 . 1 1 162 162 MET C C 13 177.6 0.1 . 1 . . . . 162 M C . 15496 1 614 . 1 1 162 162 MET CA C 13 59.2 0.1 . 1 . . . . 162 M CA . 15496 1 615 . 1 1 162 162 MET N N 15 120.7 0.1 . 1 . . . . 162 M N . 15496 1 616 . 1 1 163 163 ARG H H 1 8.19 0.01 . 1 . . . . 163 R HN . 15496 1 617 . 1 1 163 163 ARG C C 13 177.1 0.1 . 1 . . . . 163 R C . 15496 1 618 . 1 1 163 163 ARG CA C 13 57.5 0.1 . 1 . . . . 163 R CA . 15496 1 619 . 1 1 163 163 ARG N N 15 114.3 0.1 . 1 . . . . 163 R N . 15496 1 620 . 1 1 164 164 SER H H 1 6.69 0.01 . 1 . . . . 164 S HN . 15496 1 621 . 1 1 164 164 SER C C 13 173.9 0.1 . 1 . . . . 164 S C . 15496 1 622 . 1 1 164 164 SER CA C 13 57.5 0.1 . 1 . . . . 164 S CA . 15496 1 623 . 1 1 164 164 SER N N 15 112.1 0.1 . 1 . . . . 164 S N . 15496 1 624 . 1 1 165 165 ALA H H 1 6.79 0.01 . 1 . . . . 165 A HN . 15496 1 625 . 1 1 165 165 ALA C C 13 176.8 0.1 . 1 . . . . 165 A C . 15496 1 626 . 1 1 165 165 ALA CA C 13 53.3 0.1 . 1 . . . . 165 A CA . 15496 1 627 . 1 1 165 165 ALA N N 15 127.0 0.1 . 1 . . . . 165 A N . 15496 1 628 . 1 1 166 166 GLU H H 1 8.04 0.01 . 1 . . . . 166 E HN . 15496 1 629 . 1 1 166 166 GLU CA C 13 53.1 0.1 . 1 . . . . 166 E CA . 15496 1 630 . 1 1 166 166 GLU N N 15 122.4 0.1 . 1 . . . . 166 E N . 15496 1 631 . 1 1 167 167 PRO C C 13 175.9 0.1 . 1 . . . . 167 P C . 15496 1 632 . 1 1 167 167 PRO CA C 13 62.3 0.1 . 1 . . . . 167 P CA . 15496 1 633 . 1 1 168 168 SER H H 1 8.38 0.01 . 1 . . . . 168 S HN . 15496 1 634 . 1 1 168 168 SER C C 13 178.7 0.1 . 1 . . . . 168 S C . 15496 1 635 . 1 1 168 168 SER CA C 13 57.8 0.1 . 1 . . . . 168 S CA . 15496 1 636 . 1 1 168 168 SER N N 15 112.4 0.1 . 1 . . . . 168 S N . 15496 1 637 . 1 1 169 169 VAL H H 1 7.99 0.01 . 1 . . . . 169 V HN . 15496 1 638 . 1 1 169 169 VAL C C 13 174.9 0.1 . 1 . . . . 169 V C . 15496 1 639 . 1 1 169 169 VAL CA C 13 61.5 0.1 . 1 . . . . 169 V CA . 15496 1 640 . 1 1 169 169 VAL N N 15 121.0 0.1 . 1 . . . . 169 V N . 15496 1 641 . 1 1 170 170 PHE H H 1 7.84 0.01 . 1 . . . . 170 F HN . 15496 1 642 . 1 1 170 170 PHE C C 13 175.8 0.1 . 1 . . . . 170 F C . 15496 1 643 . 1 1 170 170 PHE CA C 13 57.7 0.1 . 1 . . . . 170 F CA . 15496 1 644 . 1 1 170 170 PHE N N 15 121.9 0.1 . 1 . . . . 170 F N . 15496 1 645 . 1 1 171 171 VAL H H 1 7.97 0.01 . 1 . . . . 171 V HN . 15496 1 646 . 1 1 171 171 VAL C C 13 175.8 0.1 . 1 . . . . 171 V C . 15496 1 647 . 1 1 171 171 VAL CA C 13 58.6 0.1 . 1 . . . . 171 V CA . 15496 1 648 . 1 1 171 171 VAL N N 15 112.5 0.1 . 1 . . . . 171 V N . 15496 1 649 . 1 1 172 172 ARG H H 1 8.78 0.01 . 1 . . . . 172 R HN . 15496 1 650 . 1 1 172 172 ARG C C 13 177.8 0.1 . 1 . . . . 172 R C . 15496 1 651 . 1 1 172 172 ARG CA C 13 57.7 0.1 . 1 . . . . 172 R CA . 15496 1 652 . 1 1 172 172 ARG N N 15 119.0 0.1 . 1 . . . . 172 R N . 15496 1 653 . 1 1 173 173 THR H H 1 7.04 0.01 . 1 . . . . 173 T HN . 15496 1 654 . 1 1 173 173 THR C C 13 174.3 0.1 . 1 . . . . 173 T C . 15496 1 655 . 1 1 173 173 THR CA C 13 58.6 0.1 . 1 . . . . 173 T CA . 15496 1 656 . 1 1 173 173 THR N N 15 106.4 0.1 . 1 . . . . 173 T N . 15496 1 657 . 1 1 174 174 THR H H 1 9.33 0.01 . 1 . . . . 174 T HN . 15496 1 658 . 1 1 174 174 THR C C 13 176.4 0.1 . 1 . . . . 174 T C . 15496 1 659 . 1 1 174 174 THR CA C 13 65.9 0.1 . 1 . . . . 174 T CA . 15496 1 660 . 1 1 174 174 THR N N 15 121.3 0.1 . 1 . . . . 174 T N . 15496 1 661 . 1 1 175 175 ALA H H 1 8.54 0.01 . 1 . . . . 175 A HN . 15496 1 662 . 1 1 175 175 ALA C C 13 180.7 0.1 . 1 . . . . 175 A C . 15496 1 663 . 1 1 175 175 ALA CA C 13 54.8 0.1 . 1 . . . . 175 A CA . 15496 1 664 . 1 1 175 175 ALA N N 15 122.0 0.1 . 1 . . . . 175 A N . 15496 1 665 . 1 1 176 176 GLU H H 1 8.03 0.01 . 1 . . . . 176 E HN . 15496 1 666 . 1 1 176 176 GLU C C 13 179.7 0.1 . 1 . . . . 176 E C . 15496 1 667 . 1 1 176 176 GLU CA C 13 58.7 0.1 . 1 . . . . 176 E CA . 15496 1 668 . 1 1 176 176 GLU N N 15 120.6 0.1 . 1 . . . . 176 E N . 15496 1 669 . 1 1 177 177 GLY H H 1 7.79 0.01 . 1 . . . . 177 G HN . 15496 1 670 . 1 1 177 177 GLY C C 13 174.3 0.1 . 1 . . . . 177 G C . 15496 1 671 . 1 1 177 177 GLY CA C 13 47.3 0.1 . 1 . . . . 177 G CA . 15496 1 672 . 1 1 177 177 GLY N N 15 109.3 0.1 . 1 . . . . 177 G N . 15496 1 673 . 1 1 178 178 VAL H H 1 8.21 0.01 . 1 . . . . 178 V HN . 15496 1 674 . 1 1 178 178 VAL C C 13 178.1 0.1 . 1 . . . . 178 V C . 15496 1 675 . 1 1 178 178 VAL CA C 13 65.7 0.1 . 1 . . . . 178 V CA . 15496 1 676 . 1 1 178 178 VAL N N 15 121.6 0.1 . 1 . . . . 178 V N . 15496 1 677 . 1 1 179 179 ALA H H 1 8.09 0.01 . 1 . . . . 179 A HN . 15496 1 678 . 1 1 179 179 ALA C C 13 179.8 0.1 . 1 . . . . 179 A C . 15496 1 679 . 1 1 179 179 ALA CA C 13 54.5 0.1 . 1 . . . . 179 A CA . 15496 1 680 . 1 1 179 179 ALA N N 15 121.4 0.1 . 1 . . . . 179 A N . 15496 1 681 . 1 1 180 180 ARG H H 1 7.83 0.01 . 1 . . . . 180 R HN . 15496 1 682 . 1 1 180 180 ARG C C 13 180.2 0.1 . 1 . . . . 180 R C . 15496 1 683 . 1 1 180 180 ARG CA C 13 59.4 0.1 . 1 . . . . 180 R CA . 15496 1 684 . 1 1 180 180 ARG N N 15 119.9 0.1 . 1 . . . . 180 R N . 15496 1 685 . 1 1 181 181 VAL H H 1 8.14 0.01 . 1 . . . . 181 V HN . 15496 1 686 . 1 1 181 181 VAL C C 13 179.5 0.1 . 1 . . . . 181 V C . 15496 1 687 . 1 1 181 181 VAL CA C 13 66.2 0.1 . 1 . . . . 181 V CA . 15496 1 688 . 1 1 181 181 VAL N N 15 122.8 0.1 . 1 . . . . 181 V N . 15496 1 689 . 1 1 182 182 ARG H H 1 8.26 0.01 . 1 . . . . 182 R HN . 15496 1 690 . 1 1 182 182 ARG C C 13 179.7 0.1 . 1 . . . . 182 R C . 15496 1 691 . 1 1 182 182 ARG CA C 13 60.4 0.1 . 1 . . . . 182 R CA . 15496 1 692 . 1 1 182 182 ARG N N 15 118.3 0.1 . 1 . . . . 182 R N . 15496 1 693 . 1 1 183 183 LYS H H 1 8.54 0.01 . 1 . . . . 183 K HN . 15496 1 694 . 1 1 183 183 LYS C C 13 178.1 0.1 . 1 . . . . 183 K C . 15496 1 695 . 1 1 183 183 LYS CA C 13 57.2 0.1 . 1 . . . . 183 K CA . 15496 1 696 . 1 1 183 183 LYS N N 15 118.7 0.1 . 1 . . . . 183 K N . 15496 1 697 . 1 1 184 184 SER H H 1 7.41 0.01 . 1 . . . . 184 S HN . 15496 1 698 . 1 1 184 184 SER C C 13 176.2 0.1 . 1 . . . . 184 S C . 15496 1 699 . 1 1 184 184 SER CA C 13 59.5 0.1 . 1 . . . . 184 S CA . 15496 1 700 . 1 1 184 184 SER N N 15 112.8 0.1 . 1 . . . . 184 S N . 15496 1 701 . 1 1 185 185 LYS H H 1 8.52 0.01 . 1 . . . . 185 K HN . 15496 1 702 . 1 1 185 185 LYS C C 13 175.5 0.1 . 1 . . . . 185 K C . 15496 1 703 . 1 1 185 185 LYS CA C 13 57.4 0.1 . 1 . . . . 185 K CA . 15496 1 704 . 1 1 185 185 LYS N N 15 119.8 0.1 . 1 . . . . 185 K N . 15496 1 705 . 1 1 186 186 GLY H H 1 8.15 0.01 . 1 . . . . 186 G HN . 15496 1 706 . 1 1 186 186 GLY C C 13 175.2 0.1 . 1 . . . . 186 G C . 15496 1 707 . 1 1 186 186 GLY CA C 13 45.2 0.1 . 1 . . . . 186 G CA . 15496 1 708 . 1 1 186 186 GLY N N 15 105.0 0.1 . 1 . . . . 186 G N . 15496 1 709 . 1 1 187 187 LYS H H 1 7.33 0.01 . 1 . . . . 187 K HN . 15496 1 710 . 1 1 187 187 LYS C C 13 175.2 0.1 . 1 . . . . 187 K C . 15496 1 711 . 1 1 187 187 LYS CA C 13 55.1 0.1 . 1 . . . . 187 K CA . 15496 1 712 . 1 1 187 187 LYS N N 15 116.1 0.1 . 1 . . . . 187 K N . 15496 1 713 . 1 1 188 188 TYR H H 1 7.58 0.01 . 1 . . . . 188 Y HN . 15496 1 714 . 1 1 188 188 TYR C C 13 173.1 0.1 . 1 . . . . 188 Y C . 15496 1 715 . 1 1 188 188 TYR CA C 13 57.3 0.1 . 1 . . . . 188 Y CA . 15496 1 716 . 1 1 188 188 TYR N N 15 122.2 0.1 . 1 . . . . 188 Y N . 15496 1 717 . 1 1 189 189 ALA H H 1 8.59 0.01 . 1 . . . . 189 A HN . 15496 1 718 . 1 1 189 189 ALA C C 13 172.7 0.1 . 1 . . . . 189 A C . 15496 1 719 . 1 1 189 189 ALA CA C 13 49.7 0.1 . 1 . . . . 189 A CA . 15496 1 720 . 1 1 189 189 ALA N N 15 133.7 0.1 . 1 . . . . 189 A N . 15496 1 721 . 1 1 190 190 TYR H H 1 8.10 0.01 . 1 . . . . 190 Y HN . 15496 1 722 . 1 1 190 190 TYR C C 13 173.3 0.1 . 1 . . . . 190 Y C . 15496 1 723 . 1 1 190 190 TYR CA C 13 52.8 0.1 . 1 . . . . 190 Y CA . 15496 1 724 . 1 1 190 190 TYR N N 15 121.0 0.1 . 1 . . . . 190 Y N . 15496 1 725 . 1 1 191 191 LEU H H 1 8.45 0.01 . 1 . . . . 191 L HN . 15496 1 726 . 1 1 191 191 LEU C C 13 174.0 0.1 . 1 . . . . 191 L C . 15496 1 727 . 1 1 191 191 LEU CA C 13 53.1 0.1 . 1 . . . . 191 L CA . 15496 1 728 . 1 1 191 191 LEU N N 15 130.1 0.1 . 1 . . . . 191 L N . 15496 1 729 . 1 1 192 192 LEU H H 1 8.42 0.01 . 1 . . . . 192 L HN . 15496 1 730 . 1 1 192 192 LEU C C 13 176.3 0.1 . 1 . . . . 192 L C . 15496 1 731 . 1 1 192 192 LEU CA C 13 53.9 0.1 . 1 . . . . 192 L CA . 15496 1 732 . 1 1 192 192 LEU N N 15 122.4 0.1 . 1 . . . . 192 L N . 15496 1 733 . 1 1 193 193 GLU H H 1 9.96 0.01 . 1 . . . . 193 E HN . 15496 1 734 . 1 1 193 193 GLU C C 13 179.6 0.1 . 1 . . . . 193 E C . 15496 1 735 . 1 1 193 193 GLU CA C 13 58.4 0.1 . 1 . . . . 193 E CA . 15496 1 736 . 1 1 193 193 GLU N N 15 125.7 0.1 . 1 . . . . 193 E N . 15496 1 737 . 1 1 194 194 SER H H 1 9.49 0.01 . 1 . . . . 194 S HN . 15496 1 738 . 1 1 194 194 SER C C 13 175.0 0.1 . 1 . . . . 194 S C . 15496 1 739 . 1 1 194 194 SER CA C 13 62.1 0.1 . 1 . . . . 194 S CA . 15496 1 740 . 1 1 194 194 SER N N 15 120.7 0.1 . 1 . . . . 194 S N . 15496 1 741 . 1 1 195 195 THR H H 1 7.36 0.01 . 1 . . . . 195 T HN . 15496 1 742 . 1 1 195 195 THR C C 13 178.3 0.1 . 1 . . . . 195 T C . 15496 1 743 . 1 1 195 195 THR CA C 13 62.5 0.1 . 1 . . . . 195 T CA . 15496 1 744 . 1 1 195 195 THR N N 15 112.1 0.1 . 1 . . . . 195 T N . 15496 1 745 . 1 1 196 196 MET H H 1 7.30 0.01 . 1 . . . . 196 M HN . 15496 1 746 . 1 1 196 196 MET C C 13 177.6 0.1 . 1 . . . . 196 M C . 15496 1 747 . 1 1 196 196 MET CA C 13 59.1 0.1 . 1 . . . . 196 M CA . 15496 1 748 . 1 1 196 196 MET N N 15 123.1 0.1 . 1 . . . . 196 M N . 15496 1 749 . 1 1 197 197 ASN H H 1 7.81 0.01 . 1 . . . . 197 N HN . 15496 1 750 . 1 1 197 197 ASN C C 13 177.3 0.1 . 1 . . . . 197 N C . 15496 1 751 . 1 1 197 197 ASN CA C 13 55.5 0.1 . 1 . . . . 197 N CA . 15496 1 752 . 1 1 197 197 ASN N N 15 120.2 0.1 . 1 . . . . 197 N N . 15496 1 753 . 1 1 198 198 GLU H H 1 9.00 0.01 . 1 . . . . 198 E HN . 15496 1 754 . 1 1 198 198 GLU C C 13 178.5 0.1 . 1 . . . . 198 E C . 15496 1 755 . 1 1 198 198 GLU CA C 13 58.3 0.1 . 1 . . . . 198 E CA . 15496 1 756 . 1 1 198 198 GLU N N 15 116.4 0.1 . 1 . . . . 198 E N . 15496 1 757 . 1 1 199 199 TYR H H 1 7.44 0.01 . 1 . . . . 199 Y HN . 15496 1 758 . 1 1 199 199 TYR C C 13 177.2 0.1 . 1 . . . . 199 Y C . 15496 1 759 . 1 1 199 199 TYR CA C 13 61.3 0.1 . 1 . . . . 199 Y CA . 15496 1 760 . 1 1 199 199 TYR N N 15 118.9 0.1 . 1 . . . . 199 Y N . 15496 1 761 . 1 1 200 200 ILE H H 1 7.94 0.01 . 1 . . . . 200 I HN . 15496 1 762 . 1 1 200 200 ILE C C 13 178.6 0.1 . 1 . . . . 200 I C . 15496 1 763 . 1 1 200 200 ILE CA C 13 61.9 0.1 . 1 . . . . 200 I CA . 15496 1 764 . 1 1 200 200 ILE N N 15 120.3 0.1 . 1 . . . . 200 I N . 15496 1 765 . 1 1 201 201 GLU H H 1 7.92 0.01 . 1 . . . . 201 E HN . 15496 1 766 . 1 1 201 201 GLU C C 13 176.2 0.1 . 1 . . . . 201 E C . 15496 1 767 . 1 1 201 201 GLU CA C 13 58.0 0.1 . 1 . . . . 201 E CA . 15496 1 768 . 1 1 201 201 GLU N N 15 119.5 0.1 . 1 . . . . 201 E N . 15496 1 769 . 1 1 202 202 GLN H H 1 6.99 0.01 . 1 . . . . 202 Q HN . 15496 1 770 . 1 1 202 202 GLN C C 13 174.8 0.1 . 1 . . . . 202 Q C . 15496 1 771 . 1 1 202 202 GLN CA C 13 53.7 0.1 . 1 . . . . 202 Q CA . 15496 1 772 . 1 1 202 202 GLN N N 15 112.8 0.1 . 1 . . . . 202 Q N . 15496 1 773 . 1 1 203 203 ARG H H 1 7.56 0.01 . 1 . . . . 203 R HN . 15496 1 774 . 1 1 203 203 ARG C C 13 176.9 0.1 . 1 . . . . 203 R C . 15496 1 775 . 1 1 203 203 ARG CA C 13 52.8 0.1 . 1 . . . . 203 R CA . 15496 1 776 . 1 1 203 203 ARG N N 15 120.3 0.1 . 1 . . . . 203 R N . 15496 1 777 . 1 1 204 204 LYS H H 1 9.13 0.01 . 1 . . . . 204 K HN . 15496 1 778 . 1 1 204 204 LYS CA C 13 55.9 0.1 . 1 . . . . 204 K CA . 15496 1 779 . 1 1 204 204 LYS N N 15 124.2 0.1 . 1 . . . . 204 K N . 15496 1 780 . 1 1 205 205 PRO C C 13 175.7 0.1 . 1 . . . . 205 P C . 15496 1 781 . 1 1 205 205 PRO CA C 13 63.1 0.1 . 1 . . . . 205 P CA . 15496 1 782 . 1 1 206 206 CYS H H 1 9.52 0.01 . 1 . . . . 206 C HN . 15496 1 783 . 1 1 206 206 CYS C C 13 175.9 0.1 . 1 . . . . 206 C C . 15496 1 784 . 1 1 206 206 CYS CA C 13 55.9 0.1 . 1 . . . . 206 C CA . 15496 1 785 . 1 1 206 206 CYS N N 15 122.1 0.1 . 1 . . . . 206 C N . 15496 1 786 . 1 1 207 207 ASP H H 1 8.71 0.01 . 1 . . . . 207 D HN . 15496 1 787 . 1 1 207 207 ASP C C 13 176.3 0.1 . 1 . . . . 207 D C . 15496 1 788 . 1 1 207 207 ASP CA C 13 52.8 0.1 . 1 . . . . 207 D CA . 15496 1 789 . 1 1 207 207 ASP N N 15 117.4 0.1 . 1 . . . . 207 D N . 15496 1 790 . 1 1 208 208 THR H H 1 7.75 0.01 . 1 . . . . 208 T HN . 15496 1 791 . 1 1 208 208 THR C C 13 173.2 0.1 . 1 . . . . 208 T C . 15496 1 792 . 1 1 208 208 THR CA C 13 59.7 0.1 . 1 . . . . 208 T CA . 15496 1 793 . 1 1 208 208 THR N N 15 111.8 0.1 . 1 . . . . 208 T N . 15496 1 794 . 1 1 209 209 MET H H 1 8.83 0.01 . 1 . . . . 209 M HN . 15496 1 795 . 1 1 209 209 MET C C 13 173.0 0.1 . 1 . . . . 209 M C . 15496 1 796 . 1 1 209 209 MET CA C 13 54.4 0.1 . 1 . . . . 209 M CA . 15496 1 797 . 1 1 209 209 MET N N 15 116.1 0.1 . 1 . . . . 209 M N . 15496 1 798 . 1 1 210 210 LYS H H 1 8.09 0.01 . 1 . . . . 210 K HN . 15496 1 799 . 1 1 210 210 LYS C C 13 176.5 0.1 . 1 . . . . 210 K C . 15496 1 800 . 1 1 210 210 LYS CA C 13 54.5 0.1 . 1 . . . . 210 K CA . 15496 1 801 . 1 1 210 210 LYS N N 15 124.6 0.1 . 1 . . . . 210 K N . 15496 1 802 . 1 1 211 211 VAL H H 1 7.98 0.01 . 1 . . . . 211 V HN . 15496 1 803 . 1 1 211 211 VAL C C 13 175.4 0.1 . 1 . . . . 211 V C . 15496 1 804 . 1 1 211 211 VAL CA C 13 59.7 0.1 . 1 . . . . 211 V CA . 15496 1 805 . 1 1 211 211 VAL N N 15 123.9 0.1 . 1 . . . . 211 V N . 15496 1 806 . 1 1 212 212 GLY H H 1 8.52 0.01 . 1 . . . . 212 G HN . 15496 1 807 . 1 1 212 212 GLY C C 13 174.1 0.1 . 1 . . . . 212 G C . 15496 1 808 . 1 1 212 212 GLY CA C 13 44.8 0.1 . 1 . . . . 212 G CA . 15496 1 809 . 1 1 212 212 GLY N N 15 113.5 0.1 . 1 . . . . 212 G N . 15496 1 810 . 1 1 213 213 GLY H H 1 8.05 0.01 . 1 . . . . 213 G HN . 15496 1 811 . 1 1 213 213 GLY C C 13 174.3 0.1 . 1 . . . . 213 G C . 15496 1 812 . 1 1 213 213 GLY CA C 13 43.8 0.1 . 1 . . . . 213 G CA . 15496 1 813 . 1 1 213 213 GLY N N 15 107.8 0.1 . 1 . . . . 213 G N . 15496 1 814 . 1 1 214 214 ASN H H 1 8.52 0.01 . 1 . . . . 214 N HN . 15496 1 815 . 1 1 214 214 ASN C C 13 177.5 0.1 . 1 . . . . 214 N C . 15496 1 816 . 1 1 214 214 ASN CA C 13 51.8 0.1 . 1 . . . . 214 N CA . 15496 1 817 . 1 1 214 214 ASN N N 15 121.2 0.1 . 1 . . . . 214 N N . 15496 1 818 . 1 1 215 215 LEU H H 1 9.21 0.01 . 1 . . . . 215 L HN . 15496 1 819 . 1 1 215 215 LEU C C 13 175.0 0.1 . 1 . . . . 215 L C . 15496 1 820 . 1 1 215 215 LEU CA C 13 56.4 0.1 . 1 . . . . 215 L CA . 15496 1 821 . 1 1 215 215 LEU N N 15 122.3 0.1 . 1 . . . . 215 L N . 15496 1 822 . 1 1 216 216 ASP H H 1 7.30 0.01 . 1 . . . . 216 D HN . 15496 1 823 . 1 1 216 216 ASP C C 13 174.2 0.1 . 1 . . . . 216 D C . 15496 1 824 . 1 1 216 216 ASP CA C 13 51.8 0.1 . 1 . . . . 216 D CA . 15496 1 825 . 1 1 216 216 ASP N N 15 117.3 0.1 . 1 . . . . 216 D N . 15496 1 826 . 1 1 217 217 SER H H 1 7.67 0.01 . 1 . . . . 217 S HN . 15496 1 827 . 1 1 217 217 SER C C 13 173.0 0.1 . 1 . . . . 217 S C . 15496 1 828 . 1 1 217 217 SER CA C 13 57.1 0.1 . 1 . . . . 217 S CA . 15496 1 829 . 1 1 217 217 SER N N 15 111.0 0.1 . 1 . . . . 217 S N . 15496 1 830 . 1 1 218 218 LYS H H 1 8.96 0.01 . 1 . . . . 218 K HN . 15496 1 831 . 1 1 218 218 LYS C C 13 173.6 0.1 . 1 . . . . 218 K C . 15496 1 832 . 1 1 218 218 LYS CA C 13 54.9 0.1 . 1 . . . . 218 K CA . 15496 1 833 . 1 1 218 218 LYS N N 15 125.6 0.1 . 1 . . . . 218 K N . 15496 1 834 . 1 1 219 219 GLY H H 1 7.23 0.01 . 1 . . . . 219 G HN . 15496 1 835 . 1 1 219 219 GLY C C 13 171.3 0.1 . 1 . . . . 219 G C . 15496 1 836 . 1 1 219 219 GLY CA C 13 44.9 0.1 . 1 . . . . 219 G CA . 15496 1 837 . 1 1 219 219 GLY N N 15 106.2 0.1 . 1 . . . . 219 G N . 15496 1 838 . 1 1 220 220 TYR H H 1 7.18 0.01 . 1 . . . . 220 Y HN . 15496 1 839 . 1 1 220 220 TYR C C 13 175.5 0.1 . 1 . . . . 220 Y C . 15496 1 840 . 1 1 220 220 TYR CA C 13 53.1 0.1 . 1 . . . . 220 Y CA . 15496 1 841 . 1 1 220 220 TYR N N 15 117.8 0.1 . 1 . . . . 220 Y N . 15496 1 842 . 1 1 221 221 GLY H H 1 7.37 0.01 . 1 . . . . 221 G HN . 15496 1 843 . 1 1 221 221 GLY C C 13 172.8 0.1 . 1 . . . . 221 G C . 15496 1 844 . 1 1 221 221 GLY CA C 13 43.4 0.1 . 1 . . . . 221 G CA . 15496 1 845 . 1 1 221 221 GLY N N 15 104.8 0.1 . 1 . . . . 221 G N . 15496 1 846 . 1 1 222 222 ILE H H 1 8.84 0.01 . 1 . . . . 222 I HN . 15496 1 847 . 1 1 222 222 ILE C C 13 175.7 0.1 . 1 . . . . 222 I C . 15496 1 848 . 1 1 222 222 ILE CA C 13 61.4 0.1 . 1 . . . . 222 I CA . 15496 1 849 . 1 1 222 222 ILE N N 15 122.0 0.1 . 1 . . . . 222 I N . 15496 1 850 . 1 1 223 223 ALA H H 1 8.12 0.01 . 1 . . . . 223 A HN . 15496 1 851 . 1 1 223 223 ALA C C 13 175.4 0.1 . 1 . . . . 223 A C . 15496 1 852 . 1 1 223 223 ALA CA C 13 49.5 0.1 . 1 . . . . 223 A CA . 15496 1 853 . 1 1 223 223 ALA N N 15 131.8 0.1 . 1 . . . . 223 A N . 15496 1 854 . 1 1 224 224 THR H H 1 8.66 0.01 . 1 . . . . 224 T HN . 15496 1 855 . 1 1 224 224 THR CA C 13 57.8 0.1 . 1 . . . . 224 T CA . 15496 1 856 . 1 1 224 224 THR N N 15 112.5 0.1 . 1 . . . . 224 T N . 15496 1 857 . 1 1 225 225 PRO C C 13 177.1 0.1 . 1 . . . . 225 P C . 15496 1 858 . 1 1 225 225 PRO CA C 13 61.9 0.1 . 1 . . . . 225 P CA . 15496 1 859 . 1 1 226 226 LYS H H 1 8.72 0.01 . 1 . . . . 226 K HN . 15496 1 860 . 1 1 226 226 LYS C C 13 179.0 0.1 . 1 . . . . 226 K C . 15496 1 861 . 1 1 226 226 LYS CA C 13 56.8 0.1 . 1 . . . . 226 K CA . 15496 1 862 . 1 1 226 226 LYS N N 15 123.0 0.1 . 1 . . . . 226 K N . 15496 1 863 . 1 1 227 227 GLY H H 1 9.07 0.01 . 1 . . . . 227 G HN . 15496 1 864 . 1 1 227 227 GLY C C 13 174.7 0.1 . 1 . . . . 227 G C . 15496 1 865 . 1 1 227 227 GLY CA C 13 44.8 0.1 . 1 . . . . 227 G CA . 15496 1 866 . 1 1 227 227 GLY N N 15 114.1 0.1 . 1 . . . . 227 G N . 15496 1 867 . 1 1 228 228 SER H H 1 7.63 0.01 . 1 . . . . 228 S HN . 15496 1 868 . 1 1 228 228 SER C C 13 178.1 0.1 . 1 . . . . 228 S C . 15496 1 869 . 1 1 228 228 SER CA C 13 57.5 0.1 . 1 . . . . 228 S CA . 15496 1 870 . 1 1 228 228 SER N N 15 114.7 0.1 . 1 . . . . 228 S N . 15496 1 871 . 1 1 229 229 SER H H 1 9.30 0.01 . 1 . . . . 229 S HN . 15496 1 872 . 1 1 229 229 SER C C 13 175.9 0.1 . 1 . . . . 229 S C . 15496 1 873 . 1 1 229 229 SER CA C 13 60.3 0.1 . 1 . . . . 229 S CA . 15496 1 874 . 1 1 229 229 SER N N 15 126.8 0.1 . 1 . . . . 229 S N . 15496 1 875 . 1 1 230 230 LEU H H 1 8.28 0.01 . 1 . . . . 230 L HN . 15496 1 876 . 1 1 230 230 LEU C C 13 178.1 0.1 . 1 . . . . 230 L C . 15496 1 877 . 1 1 230 230 LEU CA C 13 55.7 0.1 . 1 . . . . 230 L CA . 15496 1 878 . 1 1 230 230 LEU N N 15 123.1 0.1 . 1 . . . . 230 L N . 15496 1 879 . 1 1 231 231 GLY H H 1 7.33 0.01 . 1 . . . . 231 G HN . 15496 1 880 . 1 1 231 231 GLY C C 13 176.4 0.1 . 1 . . . . 231 G C . 15496 1 881 . 1 1 231 231 GLY CA C 13 47.8 0.1 . 1 . . . . 231 G CA . 15496 1 882 . 1 1 231 231 GLY N N 15 104.6 0.1 . 1 . . . . 231 G N . 15496 1 883 . 1 1 232 232 ASN H H 1 8.30 0.01 . 1 . . . . 232 N HN . 15496 1 884 . 1 1 232 232 ASN C C 13 177.1 0.1 . 1 . . . . 232 N C . 15496 1 885 . 1 1 232 232 ASN CA C 13 56.4 0.1 . 1 . . . . 232 N CA . 15496 1 886 . 1 1 232 232 ASN N N 15 121.5 0.1 . 1 . . . . 232 N N . 15496 1 887 . 1 1 233 233 ALA H H 1 7.79 0.01 . 1 . . . . 233 A HN . 15496 1 888 . 1 1 233 233 ALA C C 13 180.8 0.1 . 1 . . . . 233 A C . 15496 1 889 . 1 1 233 233 ALA CA C 13 54.9 0.1 . 1 . . . . 233 A CA . 15496 1 890 . 1 1 233 233 ALA N N 15 122.6 0.1 . 1 . . . . 233 A N . 15496 1 891 . 1 1 234 234 VAL H H 1 8.41 0.01 . 1 . . . . 234 V HN . 15496 1 892 . 1 1 234 234 VAL C C 13 177.3 0.1 . 1 . . . . 234 V C . 15496 1 893 . 1 1 234 234 VAL CA C 13 65.6 0.1 . 1 . . . . 234 V CA . 15496 1 894 . 1 1 234 234 VAL N N 15 117.0 0.1 . 1 . . . . 234 V N . 15496 1 895 . 1 1 235 235 ASN H H 1 7.84 0.01 . 1 . . . . 235 N HN . 15496 1 896 . 1 1 235 235 ASN C C 13 177.5 0.1 . 1 . . . . 235 N C . 15496 1 897 . 1 1 235 235 ASN CA C 13 56.9 0.1 . 1 . . . . 235 N CA . 15496 1 898 . 1 1 235 235 ASN N N 15 120.1 0.1 . 1 . . . . 235 N N . 15496 1 899 . 1 1 236 236 LEU H H 1 7.82 0.01 . 1 . . . . 236 L HN . 15496 1 900 . 1 1 236 236 LEU C C 13 179.6 0.1 . 1 . . . . 236 L C . 15496 1 901 . 1 1 236 236 LEU CA C 13 57.5 0.1 . 1 . . . . 236 L CA . 15496 1 902 . 1 1 236 236 LEU N N 15 118.3 0.1 . 1 . . . . 236 L N . 15496 1 903 . 1 1 237 237 ALA H H 1 7.76 0.01 . 1 . . . . 237 A HN . 15496 1 904 . 1 1 237 237 ALA C C 13 178.7 0.1 . 1 . . . . 237 A C . 15496 1 905 . 1 1 237 237 ALA CA C 13 54.8 0.1 . 1 . . . . 237 A CA . 15496 1 906 . 1 1 237 237 ALA N N 15 121.4 0.1 . 1 . . . . 237 A N . 15496 1 907 . 1 1 238 238 VAL H H 1 8.20 0.01 . 1 . . . . 238 V HN . 15496 1 908 . 1 1 238 238 VAL C C 13 177.8 0.1 . 1 . . . . 238 V C . 15496 1 909 . 1 1 238 238 VAL CA C 13 67.7 0.1 . 1 . . . . 238 V CA . 15496 1 910 . 1 1 238 238 VAL N N 15 119.3 0.1 . 1 . . . . 238 V N . 15496 1 911 . 1 1 239 239 LEU H H 1 7.89 0.01 . 1 . . . . 239 L HN . 15496 1 912 . 1 1 239 239 LEU C C 13 180.2 0.1 . 1 . . . . 239 L C . 15496 1 913 . 1 1 239 239 LEU CA C 13 58.1 0.1 . 1 . . . . 239 L CA . 15496 1 914 . 1 1 239 239 LEU N N 15 119.5 0.1 . 1 . . . . 239 L N . 15496 1 915 . 1 1 240 240 LYS H H 1 7.92 0.01 . 1 . . . . 240 K HN . 15496 1 916 . 1 1 240 240 LYS C C 13 179.0 0.1 . 1 . . . . 240 K C . 15496 1 917 . 1 1 240 240 LYS CA C 13 58.1 0.1 . 1 . . . . 240 K CA . 15496 1 918 . 1 1 240 240 LYS N N 15 121.2 0.1 . 1 . . . . 240 K N . 15496 1 919 . 1 1 241 241 LEU H H 1 8.48 0.01 . 1 . . . . 241 L HN . 15496 1 920 . 1 1 241 241 LEU C C 13 180.2 0.1 . 1 . . . . 241 L C . 15496 1 921 . 1 1 241 241 LEU CA C 13 57.5 0.1 . 1 . . . . 241 L CA . 15496 1 922 . 1 1 241 241 LEU N N 15 119.7 0.1 . 1 . . . . 241 L N . 15496 1 923 . 1 1 242 242 ASN H H 1 8.46 0.01 . 1 . . . . 242 N HN . 15496 1 924 . 1 1 242 242 ASN C C 13 179.5 0.1 . 1 . . . . 242 N C . 15496 1 925 . 1 1 242 242 ASN CA C 13 55.9 0.1 . 1 . . . . 242 N CA . 15496 1 926 . 1 1 242 242 ASN N N 15 118.4 0.1 . 1 . . . . 242 N N . 15496 1 927 . 1 1 243 243 GLU H H 1 8.33 0.01 . 1 . . . . 243 E HN . 15496 1 928 . 1 1 243 243 GLU C C 13 178.4 0.1 . 1 . . . . 243 E C . 15496 1 929 . 1 1 243 243 GLU CA C 13 58.9 0.1 . 1 . . . . 243 E CA . 15496 1 930 . 1 1 243 243 GLU N N 15 122.9 0.1 . 1 . . . . 243 E N . 15496 1 931 . 1 1 244 244 GLN H H 1 7.98 0.01 . 1 . . . . 244 Q HN . 15496 1 932 . 1 1 244 244 GLN C C 13 176.7 0.1 . 1 . . . . 244 Q C . 15496 1 933 . 1 1 244 244 GLN CA C 13 55.9 0.1 . 1 . . . . 244 Q CA . 15496 1 934 . 1 1 244 244 GLN N N 15 115.1 0.1 . 1 . . . . 244 Q N . 15496 1 935 . 1 1 245 245 GLY H H 1 7.84 0.01 . 1 . . . . 245 G HN . 15496 1 936 . 1 1 245 245 GLY C C 13 175.9 0.1 . 1 . . . . 245 G C . 15496 1 937 . 1 1 245 245 GLY CA C 13 45.4 0.1 . 1 . . . . 245 G CA . 15496 1 938 . 1 1 245 245 GLY N N 15 108.1 0.1 . 1 . . . . 245 G N . 15496 1 939 . 1 1 246 246 LEU H H 1 7.81 0.01 . 1 . . . . 246 L HN . 15496 1 940 . 1 1 246 246 LEU C C 13 179.1 0.1 . 1 . . . . 246 L C . 15496 1 941 . 1 1 246 246 LEU CA C 13 57.0 0.1 . 1 . . . . 246 L CA . 15496 1 942 . 1 1 246 246 LEU N N 15 121.5 0.1 . 1 . . . . 246 L N . 15496 1 943 . 1 1 247 247 LEU H H 1 7.21 0.01 . 1 . . . . 247 L HN . 15496 1 944 . 1 1 247 247 LEU C C 13 180.6 0.1 . 1 . . . . 247 L C . 15496 1 945 . 1 1 247 247 LEU CA C 13 57.9 0.1 . 1 . . . . 247 L CA . 15496 1 946 . 1 1 247 247 LEU N N 15 117.4 0.1 . 1 . . . . 247 L N . 15496 1 947 . 1 1 248 248 ASP H H 1 7.86 0.01 . 1 . . . . 248 D HN . 15496 1 948 . 1 1 248 248 ASP C C 13 178.4 0.1 . 1 . . . . 248 D C . 15496 1 949 . 1 1 248 248 ASP CA C 13 57.2 0.1 . 1 . . . . 248 D CA . 15496 1 950 . 1 1 248 248 ASP N N 15 121.9 0.1 . 1 . . . . 248 D N . 15496 1 951 . 1 1 249 249 LYS H H 1 7.55 0.01 . 1 . . . . 249 K HN . 15496 1 952 . 1 1 249 249 LYS C C 13 180.0 0.1 . 1 . . . . 249 K C . 15496 1 953 . 1 1 249 249 LYS CA C 13 59.5 0.1 . 1 . . . . 249 K CA . 15496 1 954 . 1 1 249 249 LYS N N 15 120.6 0.1 . 1 . . . . 249 K N . 15496 1 955 . 1 1 250 250 LEU H H 1 8.44 0.01 . 1 . . . . 250 L HN . 15496 1 956 . 1 1 250 250 LEU C C 13 179.7 0.1 . 1 . . . . 250 L C . 15496 1 957 . 1 1 250 250 LEU CA C 13 57.5 0.1 . 1 . . . . 250 L CA . 15496 1 958 . 1 1 250 250 LEU N N 15 120.8 0.1 . 1 . . . . 250 L N . 15496 1 959 . 1 1 251 251 LYS H H 1 8.13 0.01 . 1 . . . . 251 K HN . 15496 1 960 . 1 1 251 251 LYS C C 13 178.9 0.1 . 1 . . . . 251 K C . 15496 1 961 . 1 1 251 251 LYS CA C 13 59.3 0.1 . 1 . . . . 251 K CA . 15496 1 962 . 1 1 251 251 LYS N N 15 122.0 0.1 . 1 . . . . 251 K N . 15496 1 963 . 1 1 252 252 ASN H H 1 8.41 0.01 . 1 . . . . 252 N HN . 15496 1 964 . 1 1 252 252 ASN C C 13 177.6 0.1 . 1 . . . . 252 N C . 15496 1 965 . 1 1 252 252 ASN CA C 13 57.0 0.1 . 1 . . . . 252 N CA . 15496 1 966 . 1 1 252 252 ASN N N 15 119.0 0.1 . 1 . . . . 252 N N . 15496 1 967 . 1 1 253 253 LYS H H 1 8.29 0.01 . 1 . . . . 253 K HN . 15496 1 968 . 1 1 253 253 LYS C C 13 177.5 0.1 . 1 . . . . 253 K C . 15496 1 969 . 1 1 253 253 LYS CA C 13 59.0 0.1 . 1 . . . . 253 K CA . 15496 1 970 . 1 1 253 253 LYS N N 15 121.2 0.1 . 1 . . . . 253 K N . 15496 1 971 . 1 1 254 254 TRP H H 1 7.56 0.01 . 1 . . . . 254 W HN . 15496 1 972 . 1 1 254 254 TRP C C 13 175.8 0.1 . 1 . . . . 254 W C . 15496 1 973 . 1 1 254 254 TRP CA C 13 58.9 0.1 . 1 . . . . 254 W CA . 15496 1 974 . 1 1 254 254 TRP N N 15 115.3 0.1 . 1 . . . . 254 W N . 15496 1 975 . 1 1 255 255 TRP H H 1 9.17 0.01 . 1 . . . . 255 W HN . 15496 1 976 . 1 1 255 255 TRP C C 13 177.0 0.1 . 1 . . . . 255 W C . 15496 1 977 . 1 1 255 255 TRP CA C 13 61.6 0.1 . 1 . . . . 255 W CA . 15496 1 978 . 1 1 255 255 TRP N N 15 121.0 0.1 . 1 . . . . 255 W N . 15496 1 979 . 1 1 256 256 TYR H H 1 7.30 0.01 . 1 . . . . 256 Y HN . 15496 1 980 . 1 1 256 256 TYR C C 13 178.9 0.1 . 1 . . . . 256 Y C . 15496 1 981 . 1 1 256 256 TYR CA C 13 59.0 0.1 . 1 . . . . 256 Y CA . 15496 1 982 . 1 1 256 256 TYR N N 15 115.5 0.1 . 1 . . . . 256 Y N . 15496 1 983 . 1 1 257 257 ASP H H 1 9.04 0.01 . 1 . . . . 257 D HN . 15496 1 984 . 1 1 257 257 ASP C C 13 177.9 0.1 . 1 . . . . 257 D C . 15496 1 985 . 1 1 257 257 ASP CA C 13 57.3 0.1 . 1 . . . . 257 D CA . 15496 1 986 . 1 1 257 257 ASP N N 15 124.7 0.1 . 1 . . . . 257 D N . 15496 1 987 . 1 1 258 258 LYS H H 1 7.56 0.01 . 1 . . . . 258 K HN . 15496 1 988 . 1 1 258 258 LYS C C 13 176.5 0.1 . 1 . . . . 258 K C . 15496 1 989 . 1 1 258 258 LYS CA C 13 54.5 0.1 . 1 . . . . 258 K CA . 15496 1 990 . 1 1 258 258 LYS N N 15 117.0 0.1 . 1 . . . . 258 K N . 15496 1 991 . 1 1 259 259 GLY H H 1 7.56 0.01 . 1 . . . . 259 G HN . 15496 1 992 . 1 1 259 259 GLY C C 13 175.1 0.1 . 1 . . . . 259 G C . 15496 1 993 . 1 1 259 259 GLY CA C 13 45.9 0.1 . 1 . . . . 259 G CA . 15496 1 994 . 1 1 259 259 GLY N N 15 108.3 0.1 . 1 . . . . 259 G N . 15496 1 995 . 1 1 260 260 GLU H H 1 8.75 0.01 . 1 . . . . 260 E HN . 15496 1 996 . 1 1 260 260 GLU C C 13 177.2 0.1 . 1 . . . . 260 E C . 15496 1 997 . 1 1 260 260 GLU CA C 13 55.6 0.1 . 1 . . . . 260 E CA . 15496 1 998 . 1 1 260 260 GLU N N 15 119.7 0.1 . 1 . . . . 260 E N . 15496 1 999 . 1 1 261 261 CYS H H 1 8.32 0.01 . 1 . . . . 261 C HN . 15496 1 1000 . 1 1 261 261 CYS C C 13 175.9 0.1 . 1 . . . . 261 C C . 15496 1 1001 . 1 1 261 261 CYS CA C 13 53.6 0.1 . 1 . . . . 261 C CA . 15496 1 1002 . 1 1 261 261 CYS N N 15 118.4 0.1 . 1 . . . . 261 C N . 15496 1 1003 . 1 1 262 262 GLY H H 1 8.45 0.01 . 1 . . . . 262 G HN . 15496 1 1004 . 1 1 262 262 GLY C C 13 173.4 0.1 . 1 . . . . 262 G C . 15496 1 1005 . 1 1 262 262 GLY CA C 13 45.0 0.1 . 1 . . . . 262 G CA . 15496 1 1006 . 1 1 262 262 GLY N N 15 112.0 0.1 . 1 . . . . 262 G N . 15496 1 1007 . 1 1 263 263 SER H H 1 7.91 0.01 . 1 . . . . 263 S HN . 15496 1 1008 . 1 1 263 263 SER CA C 13 59.5 0.1 . 1 . . . . 263 S CA . 15496 1 1009 . 1 1 263 263 SER N N 15 121.9 0.1 . 1 . . . . 263 S N . 15496 1 stop_ save_