data_5182 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5182 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Extracellular Ligand-Binding Domain of Ionotropic Glutamate Receptor 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-10-17 _Entry.Accession_date 2001-10-17 _Entry.Last_release_date 2001-10-17 _Entry.Original_release_date 2001-10-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Robert McFeeters . L . . 5182 2 G.V.T. Swapna . . . . 5182 3 Gaetano Montelione . T . . 5182 4 Robert Oswald . E . . 5182 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5182 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 740 5182 '15N chemical shifts' 246 5182 '1H chemical shifts' 246 5182 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 1 . . 2002-10-17 . original BMRB . 5182 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5182 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21986773 _Citation.DOI . _Citation.PubMed_ID 11991359 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Semi-automated Backbone Resonance Assignments of the Extracellular Ligand-binding Domain of an Ionotropic Glutamate Receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 3 _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 297 _Citation.Page_last 298 _Citation.Year 2002 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Robert McFeeters . L . . 5182 1 2 G.V.T. Swapna . . . . 5182 1 3 Gaetano Montelione . T . . 5182 1 4 Robert Oswald . E . . 5182 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID automated 5182 1 'ionotropic glutamate receptor' 5182 1 'large protein' 5182 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_glur2_s1s2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_glur2_s1s2 _Assembly.Entry_ID 5182 _Assembly.ID 1 _Assembly.Name 'GluR2 Extracellular Ligand-Binding Domain' _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 'disulfide bound and free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5182 1 stop_ 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 'gluR2 s1s2' 1 $glur2_s1s2 . . . native . . . . . 5182 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_asym_ID_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_asym_ID_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 . . . . . . . . . . . . 5182 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'GluR2 Extracellular Ligand-Binding Domain' system 5182 1 'glur2 s1s2' abbreviation 5182 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_glur2_s1s2 _Entity.Sf_category entity _Entity.Sf_framecode glur2_s1s2 _Entity.Entry_ID 5182 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ionotropic glutamate receptor 2' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 263 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'disulfide bound and free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 29184 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'flop isoform' _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . no BMRB 15492 . S1S2 . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . no BMRB 15493 . S1S2 . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . no BMRB 15494 . S1S2 . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . no BMRB 15495 . S1S2 . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . no BMRB 15496 . S1S2 . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 1.01e-148 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . no PDB 1GR2 . 'Structure Of A Glutamate Receptor Ligand Binding Core (Glur2) Complexed With Kainate' . . . . . 100.76 279 98.11 98.11 1.01e-148 . . . . 5182 1 . no PDB 1LB8 . 'Crystal Structure Of The Non-Desensitizing Glur2 Ligand Binding Core Mutant (S1s2j-L483y) In Complex With Ampa At 2.3 Resolution' . . . . . 100.00 263 99.62 99.62 2.64e-151 . . . . 5182 1 . no PDB 1LB9 . ; Crystal Structure Of The Non-Desensitizing Glur2 Ligand Binding Core Mutant (S1s2j-L483y) In Complex With Antagonist Dnqx At 2.3 A Resolution ; . . . . . 100.00 263 99.62 99.62 2.64e-151 . . . . 5182 1 . 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 1.67e-151 . . . . 5182 1 . 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 Resolution ; . . . . . 100.00 263 99.62 100.00 1.70e-151 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 9.87e-152 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 9.87e-152 . . . . 5182 1 . 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 Angstroms Resolution ; . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . 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 Resolution ; . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . 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 In The Presence Of Lithium Sulfate. ; . . . . . 99.24 261 100.00 100.00 5.15e-151 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 2.69e-151 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 In The Presence Of Zinc Acetate ; . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . no PDB 1MXU . ; Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) In Complex With Bromo-Willardiine (Control For The Crystal Titration Experiments) ; . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . no PDB 1MXV . 'Crystal Titration Experiments (Ampa Co-Crystals Soaked In 10 Mm Brw)' . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . no PDB 1MXW . 'Crystal Titration Experiments (Ampa Co-Crystals Soaked In 1 Mm Brw)' . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . no PDB 1MXX . 'Crystal Titration Experiments (Ampa Co-Crystals Soaked In 100 Um Brw)' . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . no PDB 1MXY . 'Crystal Titration Experiments (Ampa Co-Crystals Soaked In 10 Um Brw)' . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . no PDB 1MXZ . 'Crystal Titration Experiments (Ampa Co-Crystals Soaked In 1 Um Brw)' . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . no PDB 1MY0 . 'Crystal Titration Experiments (Ampa Co-Crystals Soaked In 100 Nm Brw)' . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . no PDB 1MY1 . 'Crystal Titration Experiments (Ampa Co-Crystals Soaked In 10 Nm Brw)' . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . no PDB 1MY2 . 'Crystal Titration Experiment (Ampa Complex Control)' . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 Zinc Ions. ; . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . 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 Zinc Ions. ; . . . . . 100.00 263 100.00 100.00 4.54e-152 . . . . 5182 1 . no PDB 1P1N . 'Glur2 Ligand Binding Core (S1s2j) Mutant L650t In Complex With Kainate' . . . . . 100.00 263 99.62 99.62 1.86e-151 . . . . 5182 1 . 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 1.86e-151 . . . . 5182 1 . 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 1.86e-151 . . . . 5182 1 . 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 1.86e-151 . . . . 5182 1 . 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 1.07e-150 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 9.87e-152 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 9.87e-152 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 A Resolution ; . . . . . 100.00 263 99.62 100.00 2.04e-151 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . 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 1.99e-150 . . . . 5182 1 . no PDB 2I3V . ; Measurement Of Conformational Changes Accompanying Desensitization In An Ionotropic Glutamate Receptor: Structure Of G725c Mutant ; . . . . . 98.48 259 99.61 99.61 6.04e-149 . . . . 5182 1 . no PDB 2I3W . ; Measurement Of Conformational Changes Accompanying Desensitization In An Ionotropic Glutamate Receptor: Structure Of S729c Mutant ; . . . . . 98.48 259 99.61 99.61 4.70e-149 . . . . 5182 1 . 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 4.54e-152 . . . . 5182 1 . no PDB 2UXA . 'Crystal Structure Of The Glur2-Flip Ligand Binding Domain, RG UNEDITED' . . . . . 98.86 262 98.08 98.85 2.50e-147 . . . . 5182 1 . no PDB 3B6Q . 'Crystal Structure Of The Glur2 Ligand Binding Core (S1s2j) Mutant T686a In Complex With Glutamate At 2.0 Resolution' . . . . . 98.10 260 99.61 99.61 1.11e-148 . . . . 5182 1 . 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 1.66e-151 . . . . 5182 1 . 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 9.55e-152 . . . . 5182 1 . 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 5.15e-151 . . . . 5182 1 . no PDB 3BBR . ; Crystal Structure Of The Iglur2 Ligand Binding Core (S1s2j- N775s) In Complex With A Dimeric Positive Modulator As Well As Glutamate At 2.25 A Resolution ; . . . . . 100.00 267 99.62 100.00 1.97e-151 . . . . 5182 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID iGluR2 abbreviation 5182 1 'ionotropic glutamate receptor 2' common 5182 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 . 5182 1 2 . ALA . 5182 1 3 . ASN . 5182 1 4 . LYS . 5182 1 5 . THR . 5182 1 6 . VAL . 5182 1 7 . VAL . 5182 1 8 . VAL . 5182 1 9 . THR . 5182 1 10 . THR . 5182 1 11 . ILE . 5182 1 12 . LEU . 5182 1 13 . GLU . 5182 1 14 . SER . 5182 1 15 . PRO . 5182 1 16 . TYR . 5182 1 17 . VAL . 5182 1 18 . MET . 5182 1 19 . MET . 5182 1 20 . LYS . 5182 1 21 . LYS . 5182 1 22 . ASN . 5182 1 23 . HIS . 5182 1 24 . GLU . 5182 1 25 . MET . 5182 1 26 . LEU . 5182 1 27 . GLU . 5182 1 28 . GLY . 5182 1 29 . ASN . 5182 1 30 . GLU . 5182 1 31 . ARG . 5182 1 32 . TYR . 5182 1 33 . GLU . 5182 1 34 . GLY . 5182 1 35 . TYR . 5182 1 36 . CYS . 5182 1 37 . VAL . 5182 1 38 . ASP . 5182 1 39 . LEU . 5182 1 40 . ALA . 5182 1 41 . ALA . 5182 1 42 . GLU . 5182 1 43 . ILE . 5182 1 44 . ALA . 5182 1 45 . LYS . 5182 1 46 . HIS . 5182 1 47 . CYS . 5182 1 48 . GLY . 5182 1 49 . PHE . 5182 1 50 . LYS . 5182 1 51 . TYR . 5182 1 52 . LYS . 5182 1 53 . LEU . 5182 1 54 . THR . 5182 1 55 . ILE . 5182 1 56 . VAL . 5182 1 57 . GLY . 5182 1 58 . ASP . 5182 1 59 . GLY . 5182 1 60 . LYS . 5182 1 61 . TYR . 5182 1 62 . GLY . 5182 1 63 . ALA . 5182 1 64 . ARG . 5182 1 65 . ASP . 5182 1 66 . ALA . 5182 1 67 . ASP . 5182 1 68 . THR . 5182 1 69 . LYS . 5182 1 70 . ILE . 5182 1 71 . TRP . 5182 1 72 . ASN . 5182 1 73 . GLY . 5182 1 74 . MET . 5182 1 75 . VAL . 5182 1 76 . GLY . 5182 1 77 . GLU . 5182 1 78 . LEU . 5182 1 79 . VAL . 5182 1 80 . TYR . 5182 1 81 . GLY . 5182 1 82 . LYS . 5182 1 83 . ALA . 5182 1 84 . ASP . 5182 1 85 . ILE . 5182 1 86 . ALA . 5182 1 87 . ILE . 5182 1 88 . ALA . 5182 1 89 . PRO . 5182 1 90 . LEU . 5182 1 91 . THR . 5182 1 92 . ILE . 5182 1 93 . THR . 5182 1 94 . LEU . 5182 1 95 . VAL . 5182 1 96 . ARG . 5182 1 97 . GLU . 5182 1 98 . GLU . 5182 1 99 . VAL . 5182 1 100 . ILE . 5182 1 101 . ASP . 5182 1 102 . PHE . 5182 1 103 . SER . 5182 1 104 . LYS . 5182 1 105 . PRO . 5182 1 106 . PHE . 5182 1 107 . MET . 5182 1 108 . SER . 5182 1 109 . LEU . 5182 1 110 . GLY . 5182 1 111 . ILE . 5182 1 112 . SER . 5182 1 113 . ILE . 5182 1 114 . MET . 5182 1 115 . ILE . 5182 1 116 . LYS . 5182 1 117 . LYS . 5182 1 118 . GLY . 5182 1 119 . THR . 5182 1 120 . PRO . 5182 1 121 . ILE . 5182 1 122 . GLU . 5182 1 123 . SER . 5182 1 124 . ALA . 5182 1 125 . GLU . 5182 1 126 . ASP . 5182 1 127 . LEU . 5182 1 128 . SER . 5182 1 129 . LYS . 5182 1 130 . GLN . 5182 1 131 . THR . 5182 1 132 . GLU . 5182 1 133 . ILE . 5182 1 134 . ALA . 5182 1 135 . TYR . 5182 1 136 . GLY . 5182 1 137 . THR . 5182 1 138 . LEU . 5182 1 139 . ASP . 5182 1 140 . SER . 5182 1 141 . GLY . 5182 1 142 . SER . 5182 1 143 . THR . 5182 1 144 . LYS . 5182 1 145 . GLU . 5182 1 146 . PHE . 5182 1 147 . PHE . 5182 1 148 . ARG . 5182 1 149 . ARG . 5182 1 150 . SER . 5182 1 151 . LYS . 5182 1 152 . ILE . 5182 1 153 . ALA . 5182 1 154 . VAL . 5182 1 155 . PHE . 5182 1 156 . ASP . 5182 1 157 . LYS . 5182 1 158 . MET . 5182 1 159 . TRP . 5182 1 160 . THR . 5182 1 161 . TYR . 5182 1 162 . MET . 5182 1 163 . ARG . 5182 1 164 . SER . 5182 1 165 . ALA . 5182 1 166 . GLU . 5182 1 167 . PRO . 5182 1 168 . SER . 5182 1 169 . VAL . 5182 1 170 . PHE . 5182 1 171 . VAL . 5182 1 172 . ARG . 5182 1 173 . THR . 5182 1 174 . THR . 5182 1 175 . ALA . 5182 1 176 . GLU . 5182 1 177 . GLY . 5182 1 178 . VAL . 5182 1 179 . ALA . 5182 1 180 . ARG . 5182 1 181 . VAL . 5182 1 182 . ARG . 5182 1 183 . LYS . 5182 1 184 . SER . 5182 1 185 . LYS . 5182 1 186 . GLY . 5182 1 187 . LYS . 5182 1 188 . TYR . 5182 1 189 . ALA . 5182 1 190 . TYR . 5182 1 191 . LEU . 5182 1 192 . LEU . 5182 1 193 . GLU . 5182 1 194 . SER . 5182 1 195 . THR . 5182 1 196 . MET . 5182 1 197 . ASN . 5182 1 198 . GLU . 5182 1 199 . TYR . 5182 1 200 . ILE . 5182 1 201 . GLU . 5182 1 202 . GLN . 5182 1 203 . ARG . 5182 1 204 . LYS . 5182 1 205 . PRO . 5182 1 206 . CYS . 5182 1 207 . ASP . 5182 1 208 . THR . 5182 1 209 . MET . 5182 1 210 . LYS . 5182 1 211 . VAL . 5182 1 212 . GLY . 5182 1 213 . GLY . 5182 1 214 . ASN . 5182 1 215 . LEU . 5182 1 216 . ASP . 5182 1 217 . SER . 5182 1 218 . LYS . 5182 1 219 . GLY . 5182 1 220 . TYR . 5182 1 221 . GLY . 5182 1 222 . ILE . 5182 1 223 . ALA . 5182 1 224 . THR . 5182 1 225 . PRO . 5182 1 226 . LYS . 5182 1 227 . GLY . 5182 1 228 . SER . 5182 1 229 . SER . 5182 1 230 . LEU . 5182 1 231 . GLY . 5182 1 232 . ASN . 5182 1 233 . ALA . 5182 1 234 . VAL . 5182 1 235 . ASN . 5182 1 236 . LEU . 5182 1 237 . ALA . 5182 1 238 . VAL . 5182 1 239 . LEU . 5182 1 240 . LYS . 5182 1 241 . LEU . 5182 1 242 . ASN . 5182 1 243 . GLU . 5182 1 244 . GLN . 5182 1 245 . GLY . 5182 1 246 . LEU . 5182 1 247 . LEU . 5182 1 248 . ASP . 5182 1 249 . LYS . 5182 1 250 . LEU . 5182 1 251 . LYS . 5182 1 252 . ASN . 5182 1 253 . LYS . 5182 1 254 . TRP . 5182 1 255 . TRP . 5182 1 256 . TYR . 5182 1 257 . ASP . 5182 1 258 . LYS . 5182 1 259 . GLY . 5182 1 260 . GLU . 5182 1 261 . CYS . 5182 1 262 . GLY . 5182 1 263 . SER . 5182 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 5182 1 . ALA 2 2 5182 1 . ASN 3 3 5182 1 . LYS 4 4 5182 1 . THR 5 5 5182 1 . VAL 6 6 5182 1 . VAL 7 7 5182 1 . VAL 8 8 5182 1 . THR 9 9 5182 1 . THR 10 10 5182 1 . ILE 11 11 5182 1 . LEU 12 12 5182 1 . GLU 13 13 5182 1 . SER 14 14 5182 1 . PRO 15 15 5182 1 . TYR 16 16 5182 1 . VAL 17 17 5182 1 . MET 18 18 5182 1 . MET 19 19 5182 1 . LYS 20 20 5182 1 . LYS 21 21 5182 1 . ASN 22 22 5182 1 . HIS 23 23 5182 1 . GLU 24 24 5182 1 . MET 25 25 5182 1 . LEU 26 26 5182 1 . GLU 27 27 5182 1 . GLY 28 28 5182 1 . ASN 29 29 5182 1 . GLU 30 30 5182 1 . ARG 31 31 5182 1 . TYR 32 32 5182 1 . GLU 33 33 5182 1 . GLY 34 34 5182 1 . TYR 35 35 5182 1 . CYS 36 36 5182 1 . VAL 37 37 5182 1 . ASP 38 38 5182 1 . LEU 39 39 5182 1 . ALA 40 40 5182 1 . ALA 41 41 5182 1 . GLU 42 42 5182 1 . ILE 43 43 5182 1 . ALA 44 44 5182 1 . LYS 45 45 5182 1 . HIS 46 46 5182 1 . CYS 47 47 5182 1 . GLY 48 48 5182 1 . PHE 49 49 5182 1 . LYS 50 50 5182 1 . TYR 51 51 5182 1 . LYS 52 52 5182 1 . LEU 53 53 5182 1 . THR 54 54 5182 1 . ILE 55 55 5182 1 . VAL 56 56 5182 1 . GLY 57 57 5182 1 . ASP 58 58 5182 1 . GLY 59 59 5182 1 . LYS 60 60 5182 1 . TYR 61 61 5182 1 . GLY 62 62 5182 1 . ALA 63 63 5182 1 . ARG 64 64 5182 1 . ASP 65 65 5182 1 . ALA 66 66 5182 1 . ASP 67 67 5182 1 . THR 68 68 5182 1 . LYS 69 69 5182 1 . ILE 70 70 5182 1 . TRP 71 71 5182 1 . ASN 72 72 5182 1 . GLY 73 73 5182 1 . MET 74 74 5182 1 . VAL 75 75 5182 1 . GLY 76 76 5182 1 . GLU 77 77 5182 1 . LEU 78 78 5182 1 . VAL 79 79 5182 1 . TYR 80 80 5182 1 . GLY 81 81 5182 1 . LYS 82 82 5182 1 . ALA 83 83 5182 1 . ASP 84 84 5182 1 . ILE 85 85 5182 1 . ALA 86 86 5182 1 . ILE 87 87 5182 1 . ALA 88 88 5182 1 . PRO 89 89 5182 1 . LEU 90 90 5182 1 . THR 91 91 5182 1 . ILE 92 92 5182 1 . THR 93 93 5182 1 . LEU 94 94 5182 1 . VAL 95 95 5182 1 . ARG 96 96 5182 1 . GLU 97 97 5182 1 . GLU 98 98 5182 1 . VAL 99 99 5182 1 . ILE 100 100 5182 1 . ASP 101 101 5182 1 . PHE 102 102 5182 1 . SER 103 103 5182 1 . LYS 104 104 5182 1 . PRO 105 105 5182 1 . PHE 106 106 5182 1 . MET 107 107 5182 1 . SER 108 108 5182 1 . LEU 109 109 5182 1 . GLY 110 110 5182 1 . ILE 111 111 5182 1 . SER 112 112 5182 1 . ILE 113 113 5182 1 . MET 114 114 5182 1 . ILE 115 115 5182 1 . LYS 116 116 5182 1 . LYS 117 117 5182 1 . GLY 118 118 5182 1 . THR 119 119 5182 1 . PRO 120 120 5182 1 . ILE 121 121 5182 1 . GLU 122 122 5182 1 . SER 123 123 5182 1 . ALA 124 124 5182 1 . GLU 125 125 5182 1 . ASP 126 126 5182 1 . LEU 127 127 5182 1 . SER 128 128 5182 1 . LYS 129 129 5182 1 . GLN 130 130 5182 1 . THR 131 131 5182 1 . GLU 132 132 5182 1 . ILE 133 133 5182 1 . ALA 134 134 5182 1 . TYR 135 135 5182 1 . GLY 136 136 5182 1 . THR 137 137 5182 1 . LEU 138 138 5182 1 . ASP 139 139 5182 1 . SER 140 140 5182 1 . GLY 141 141 5182 1 . SER 142 142 5182 1 . THR 143 143 5182 1 . LYS 144 144 5182 1 . GLU 145 145 5182 1 . PHE 146 146 5182 1 . PHE 147 147 5182 1 . ARG 148 148 5182 1 . ARG 149 149 5182 1 . SER 150 150 5182 1 . LYS 151 151 5182 1 . ILE 152 152 5182 1 . ALA 153 153 5182 1 . VAL 154 154 5182 1 . PHE 155 155 5182 1 . ASP 156 156 5182 1 . LYS 157 157 5182 1 . MET 158 158 5182 1 . TRP 159 159 5182 1 . THR 160 160 5182 1 . TYR 161 161 5182 1 . MET 162 162 5182 1 . ARG 163 163 5182 1 . SER 164 164 5182 1 . ALA 165 165 5182 1 . GLU 166 166 5182 1 . PRO 167 167 5182 1 . SER 168 168 5182 1 . VAL 169 169 5182 1 . PHE 170 170 5182 1 . VAL 171 171 5182 1 . ARG 172 172 5182 1 . THR 173 173 5182 1 . THR 174 174 5182 1 . ALA 175 175 5182 1 . GLU 176 176 5182 1 . GLY 177 177 5182 1 . VAL 178 178 5182 1 . ALA 179 179 5182 1 . ARG 180 180 5182 1 . VAL 181 181 5182 1 . ARG 182 182 5182 1 . LYS 183 183 5182 1 . SER 184 184 5182 1 . LYS 185 185 5182 1 . GLY 186 186 5182 1 . LYS 187 187 5182 1 . TYR 188 188 5182 1 . ALA 189 189 5182 1 . TYR 190 190 5182 1 . LEU 191 191 5182 1 . LEU 192 192 5182 1 . GLU 193 193 5182 1 . SER 194 194 5182 1 . THR 195 195 5182 1 . MET 196 196 5182 1 . ASN 197 197 5182 1 . GLU 198 198 5182 1 . TYR 199 199 5182 1 . ILE 200 200 5182 1 . GLU 201 201 5182 1 . GLN 202 202 5182 1 . ARG 203 203 5182 1 . LYS 204 204 5182 1 . PRO 205 205 5182 1 . CYS 206 206 5182 1 . ASP 207 207 5182 1 . THR 208 208 5182 1 . MET 209 209 5182 1 . LYS 210 210 5182 1 . VAL 211 211 5182 1 . GLY 212 212 5182 1 . GLY 213 213 5182 1 . ASN 214 214 5182 1 . LEU 215 215 5182 1 . ASP 216 216 5182 1 . SER 217 217 5182 1 . LYS 218 218 5182 1 . GLY 219 219 5182 1 . TYR 220 220 5182 1 . GLY 221 221 5182 1 . ILE 222 222 5182 1 . ALA 223 223 5182 1 . THR 224 224 5182 1 . PRO 225 225 5182 1 . LYS 226 226 5182 1 . GLY 227 227 5182 1 . SER 228 228 5182 1 . SER 229 229 5182 1 . LEU 230 230 5182 1 . GLY 231 231 5182 1 . ASN 232 232 5182 1 . ALA 233 233 5182 1 . VAL 234 234 5182 1 . ASN 235 235 5182 1 . LEU 236 236 5182 1 . ALA 237 237 5182 1 . VAL 238 238 5182 1 . LEU 239 239 5182 1 . LYS 240 240 5182 1 . LEU 241 241 5182 1 . ASN 242 242 5182 1 . GLU 243 243 5182 1 . GLN 244 244 5182 1 . GLY 245 245 5182 1 . LEU 246 246 5182 1 . LEU 247 247 5182 1 . ASP 248 248 5182 1 . LYS 249 249 5182 1 . LEU 250 250 5182 1 . LYS 251 251 5182 1 . ASN 252 252 5182 1 . LYS 253 253 5182 1 . TRP 254 254 5182 1 . TRP 255 255 5182 1 . TYR 256 256 5182 1 . ASP 257 257 5182 1 . LYS 258 258 5182 1 . GLY 259 259 5182 1 . GLU 260 260 5182 1 . CYS 261 261 5182 1 . GLY 262 262 5182 1 . SER 263 263 5182 1 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 5182 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $glur2_s1s2 . 10116 . . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . brain . . . . . . . . . . 5182 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 5182 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $glur2_s1s2 . 'recombinant technology' . . . . . . . . . . . . . . . . 5182 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5182 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'ionotropic glutamate receptor 2' '[U-98% 13C; U-98% 15N; U-95% 2H]' . . 1 $glur2_s1s2 . . . 0.45 0.65 mM . . . . 5182 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5182 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.0 0.2 n/a 5182 1 temperature 298 0.5 K 5182 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 5182 _Software.ID 1 _Software.Type . _Software.Name nmrDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5182 1 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 5182 _Software.ID 2 _Software.Type . _Software.Name nmrPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5182 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 5182 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID visualization 5182 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 5182 _Software.ID 4 _Software.Type . _Software.Name AutoAssign _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automatic sequence assignment' 5182 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5182 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5182 _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 NMR_spectrometer Varian Inova . 600 . . . 5182 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 5182 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5182 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5182 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5182 1 4 HN(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5182 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5182 1 6 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5182 1 7 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5182 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5182 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 5182 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 5182 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5182 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5182 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 HNCA 1 $sample_1 . 5182 1 2 HN(CO)CA 1 $sample_1 . 5182 1 3 HNCACB 1 $sample_1 . 5182 1 4 HN(CO)CACB 1 $sample_1 . 5182 1 5 HNCO 1 $sample_1 . 5182 1 6 HN(CA)CO 1 $sample_1 . 5182 1 7 '1H-15N HSQC' 1 $sample_1 . 5182 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.Ambiguity_set_ID _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 H H 1 7.71 0.01 . 1 . . . . . . . . . 5182 1 2 . 1 1 1 1 GLY C C 13 169.96 0.1 . 1 . . . . . . . . . 5182 1 3 . 1 1 1 1 GLY CA C 13 43.08 0.1 . 1 . . . . . . . . . 5182 1 4 . 1 1 1 1 GLY N N 15 120.66 0.1 . 1 . . . . . . . . . 5182 1 5 . 1 1 2 2 ALA H H 1 8.55 0.01 . 1 . . . . . . . . . 5182 1 6 . 1 1 2 2 ALA C C 13 177.52 0.1 . 1 . . . . . . . . . 5182 1 7 . 1 1 2 2 ALA CA C 13 52.26 0.1 . 1 . . . . . . . . . 5182 1 8 . 1 1 2 2 ALA CB C 13 18.83 0.1 . 1 . . . . . . . . . 5182 1 9 . 1 1 2 2 ALA N N 15 124.26 0.1 . 1 . . . . . . . . . 5182 1 10 . 1 1 3 3 ASN H H 1 8.52 0.01 . 1 . . . . . . . . . 5182 1 11 . 1 1 3 3 ASN C C 13 174.82 0.1 . 1 . . . . . . . . . 5182 1 12 . 1 1 3 3 ASN CA C 13 53.05 0.1 . 1 . . . . . . . . . 5182 1 13 . 1 1 3 3 ASN CB C 13 38.44 0.1 . 1 . . . . . . . . . 5182 1 14 . 1 1 3 3 ASN N N 15 119.36 0.1 . 1 . . . . . . . . . 5182 1 15 . 1 1 4 4 LYS H H 1 8.15 0.01 . 1 . . . . . . . . . 5182 1 16 . 1 1 4 4 LYS C C 13 176.42 0.1 . 1 . . . . . . . . . 5182 1 17 . 1 1 4 4 LYS CA C 13 55.87 0.1 . 1 . . . . . . . . . 5182 1 18 . 1 1 4 4 LYS CB C 13 32.70 0.1 . 1 . . . . . . . . . 5182 1 19 . 1 1 4 4 LYS N N 15 122.44 0.1 . 1 . . . . . . . . . 5182 1 20 . 1 1 5 5 THR H H 1 8.39 0.01 . 1 . . . . . . . . . 5182 1 21 . 1 1 5 5 THR C C 13 173.88 0.1 . 1 . . . . . . . . . 5182 1 22 . 1 1 5 5 THR CA C 13 62.93 0.1 . 1 . . . . . . . . . 5182 1 23 . 1 1 5 5 THR CB C 13 68.63 0.1 . 1 . . . . . . . . . 5182 1 24 . 1 1 5 5 THR N N 15 121.70 0.1 . 1 . . . . . . . . . 5182 1 25 . 1 1 6 6 VAL H H 1 8.68 0.01 . 1 . . . . . . . . . 5182 1 26 . 1 1 6 6 VAL C C 13 174.74 0.1 . 1 . . . . . . . . . 5182 1 27 . 1 1 6 6 VAL CA C 13 62.18 0.1 . 1 . . . . . . . . . 5182 1 28 . 1 1 6 6 VAL CB C 13 32.21 0.1 . 1 . . . . . . . . . 5182 1 29 . 1 1 6 6 VAL N N 15 130.04 0.1 . 1 . . . . . . . . . 5182 1 30 . 1 1 7 7 VAL H H 1 9.79 0.01 . 1 . . . . . . . . . 5182 1 31 . 1 1 7 7 VAL C C 13 175.90 0.1 . 1 . . . . . . . . . 5182 1 32 . 1 1 7 7 VAL CA C 13 63.31 0.1 . 1 . . . . . . . . . 5182 1 33 . 1 1 7 7 VAL CB C 13 31.85 0.1 . 1 . . . . . . . . . 5182 1 34 . 1 1 7 7 VAL N N 15 130.82 0.1 . 1 . . . . . . . . . 5182 1 35 . 1 1 8 8 VAL H H 1 8.65 0.01 . 1 . . . . . . . . . 5182 1 36 . 1 1 8 8 VAL C C 13 176.38 0.1 . 1 . . . . . . . . . 5182 1 37 . 1 1 8 8 VAL CA C 13 59.26 0.1 . 1 . . . . . . . . . 5182 1 38 . 1 1 8 8 VAL CB C 13 32.67 0.1 . 1 . . . . . . . . . 5182 1 39 . 1 1 8 8 VAL N N 15 131.28 0.1 . 1 . . . . . . . . . 5182 1 40 . 1 1 9 9 THR H H 1 8.98 0.01 . 1 . . . . . . . . . 5182 1 41 . 1 1 9 9 THR C C 13 171.48 0.1 . 1 . . . . . . . . . 5182 1 42 . 1 1 9 9 THR CA C 13 59.66 0.1 . 1 . . . . . . . . . 5182 1 43 . 1 1 9 9 THR CB C 13 68.03 0.1 . 1 . . . . . . . . . 5182 1 44 . 1 1 9 9 THR N N 15 124.94 0.1 . 1 . . . . . . . . . 5182 1 45 . 1 1 10 10 THR H H 1 7.83 0.01 . 1 . . . . . . . . . 5182 1 46 . 1 1 10 10 THR C C 13 169.96 0.1 . 1 . . . . . . . . . 5182 1 47 . 1 1 10 10 THR CA C 13 60.94 0.1 . 1 . . . . . . . . . 5182 1 48 . 1 1 10 10 THR CB C 13 68.23 0.1 . 1 . . . . . . . . . 5182 1 49 . 1 1 10 10 THR N N 15 124.56 0.1 . 1 . . . . . . . . . 5182 1 50 . 1 1 11 11 ILE H H 1 7.81 0.01 . 1 . . . . . . . . . 5182 1 51 . 1 1 11 11 ILE C C 13 172.20 0.1 . 1 . . . . . . . . . 5182 1 52 . 1 1 11 11 ILE CA C 13 58.57 0.1 . 1 . . . . . . . . . 5182 1 53 . 1 1 11 11 ILE CB C 13 42.37 0.1 . 1 . . . . . . . . . 5182 1 54 . 1 1 11 11 ILE N N 15 120.20 0.1 . 1 . . . . . . . . . 5182 1 55 . 1 1 12 12 LEU H H 1 7.83 0.01 . 1 . . . . . . . . . 5182 1 56 . 1 1 12 12 LEU C C 13 174.86 0.1 . 1 . . . . . . . . . 5182 1 57 . 1 1 12 12 LEU CA C 13 54.80 0.1 . 1 . . . . . . . . . 5182 1 58 . 1 1 12 12 LEU CB C 13 39.01 0.1 . 1 . . . . . . . . . 5182 1 59 . 1 1 12 12 LEU N N 15 124.89 0.1 . 1 . . . . . . . . . 5182 1 60 . 1 1 13 13 GLU H H 1 7.78 0.01 . 1 . . . . . . . . . 5182 1 61 . 1 1 13 13 GLU C C 13 176.56 0.1 . 1 . . . . . . . . . 5182 1 62 . 1 1 13 13 GLU CA C 13 54.56 0.1 . 1 . . . . . . . . . 5182 1 63 . 1 1 13 13 GLU CB C 13 33.02 0.1 . 1 . . . . . . . . . 5182 1 64 . 1 1 13 13 GLU N N 15 128.80 0.1 . 1 . . . . . . . . . 5182 1 65 . 1 1 14 14 SER H H 1 9.54 0.01 . 1 . . . . . . . . . 5182 1 66 . 1 1 14 14 SER C C 13 170.80 0.1 . 1 . . . . . . . . . 5182 1 67 . 1 1 14 14 SER CA C 13 58.46 0.1 . 1 . . . . . . . . . 5182 1 68 . 1 1 14 14 SER CB C 13 62.09 0.1 . 1 . . . . . . . . . 5182 1 69 . 1 1 14 14 SER N N 15 132.05 0.1 . 1 . . . . . . . . . 5182 1 70 . 1 1 15 15 PRO C C 13 173.87 0.1 . 1 . . . . . . . . . 5182 1 71 . 1 1 15 15 PRO CA C 13 63.45 0.1 . 1 . . . . . . . . . 5182 1 72 . 1 1 15 15 PRO CB C 13 32.43 0.1 . 1 . . . . . . . . . 5182 1 73 . 1 1 16 16 TYR H H 1 8.25 0.01 . 1 . . . . . . . . . 5182 1 74 . 1 1 16 16 TYR C C 13 176.93 0.1 . 1 . . . . . . . . . 5182 1 75 . 1 1 16 16 TYR CA C 13 62.07 0.1 . 1 . . . . . . . . . 5182 1 76 . 1 1 16 16 TYR CB C 13 37.15 0.1 . 1 . . . . . . . . . 5182 1 77 . 1 1 16 16 TYR N N 15 124.89 0.1 . 1 . . . . . . . . . 5182 1 78 . 1 1 17 17 VAL H H 1 7.94 0.01 . 1 . . . . . . . . . 5182 1 79 . 1 1 17 17 VAL C C 13 174.08 0.1 . 1 . . . . . . . . . 5182 1 80 . 1 1 17 17 VAL CA C 13 63.72 0.1 . 1 . . . . . . . . . 5182 1 81 . 1 1 17 17 VAL CB C 13 33.70 0.1 . 1 . . . . . . . . . 5182 1 82 . 1 1 17 17 VAL N N 15 118.28 0.1 . 1 . . . . . . . . . 5182 1 83 . 1 1 18 18 MET H H 1 9.33 0.01 . 1 . . . . . . . . . 5182 1 84 . 1 1 18 18 MET C C 13 175.19 0.1 . 1 . . . . . . . . . 5182 1 85 . 1 1 18 18 MET CA C 13 53.34 0.1 . 1 . . . . . . . . . 5182 1 86 . 1 1 18 18 MET CB C 13 35.50 0.1 . 1 . . . . . . . . . 5182 1 87 . 1 1 18 18 MET N N 15 126.17 0.1 . 1 . . . . . . . . . 5182 1 88 . 1 1 19 19 MET H H 1 8.75 0.01 . 1 . . . . . . . . . 5182 1 89 . 1 1 19 19 MET C C 13 177.77 0.1 . 1 . . . . . . . . . 5182 1 90 . 1 1 19 19 MET CA C 13 54.53 0.1 . 1 . . . . . . . . . 5182 1 91 . 1 1 19 19 MET CB C 13 30.53 0.1 . 1 . . . . . . . . . 5182 1 92 . 1 1 19 19 MET N N 15 120.28 0.1 . 1 . . . . . . . . . 5182 1 93 . 1 1 20 20 LYS H H 1 8.52 0.01 . 1 . . . . . . . . . 5182 1 94 . 1 1 20 20 LYS C C 13 177.70 0.1 . 1 . . . . . . . . . 5182 1 95 . 1 1 20 20 LYS CA C 13 57.06 0.1 . 1 . . . . . . . . . 5182 1 96 . 1 1 20 20 LYS CB C 13 33.40 0.1 . 1 . . . . . . . . . 5182 1 97 . 1 1 20 20 LYS N N 15 126.61 0.1 . 1 . . . . . . . . . 5182 1 98 . 1 1 21 21 LYS H H 1 8.86 0.01 . 1 . . . . . . . . . 5182 1 99 . 1 1 21 21 LYS C C 13 177.52 0.1 . 1 . . . . . . . . . 5182 1 100 . 1 1 21 21 LYS CA C 13 58.22 0.1 . 1 . . . . . . . . . 5182 1 101 . 1 1 21 21 LYS CB C 13 31.29 0.1 . 1 . . . . . . . . . 5182 1 102 . 1 1 21 21 LYS N N 15 124.10 0.1 . 1 . . . . . . . . . 5182 1 103 . 1 1 22 22 ASN H H 1 8.73 0.01 . 1 . . . . . . . . . 5182 1 104 . 1 1 22 22 ASN C C 13 176.18 0.1 . 1 . . . . . . . . . 5182 1 105 . 1 1 22 22 ASN CA C 13 52.99 0.1 . 1 . . . . . . . . . 5182 1 106 . 1 1 22 22 ASN CB C 13 36.43 0.1 . 1 . . . . . . . . . 5182 1 107 . 1 1 22 22 ASN N N 15 117.06 0.1 . 1 . . . . . . . . . 5182 1 108 . 1 1 23 23 HIS H H 1 7.63 0.01 . 1 . . . . . . . . . 5182 1 109 . 1 1 23 23 HIS C C 13 175.55 0.1 . 1 . . . . . . . . . 5182 1 110 . 1 1 23 23 HIS CA C 13 58.38 0.1 . 1 . . . . . . . . . 5182 1 111 . 1 1 23 23 HIS CB C 13 28.25 0.1 . 1 . . . . . . . . . 5182 1 112 . 1 1 23 23 HIS N N 15 115.49 0.1 . 1 . . . . . . . . . 5182 1 113 . 1 1 24 24 GLU H H 1 8.69 0.01 . 1 . . . . . . . . . 5182 1 114 . 1 1 24 24 GLU C C 13 177.23 0.1 . 1 . . . . . . . . . 5182 1 115 . 1 1 24 24 GLU CA C 13 58.65 0.1 . 1 . . . . . . . . . 5182 1 116 . 1 1 24 24 GLU CB C 13 28.11 0.1 . 1 . . . . . . . . . 5182 1 117 . 1 1 24 24 GLU N N 15 121.14 0.1 . 1 . . . . . . . . . 5182 1 118 . 1 1 25 25 MET H H 1 7.85 0.01 . 1 . . . . . . . . . 5182 1 119 . 1 1 25 25 MET C C 13 175.49 0.1 . 1 . . . . . . . . . 5182 1 120 . 1 1 25 25 MET CA C 13 54.63 0.1 . 1 . . . . . . . . . 5182 1 121 . 1 1 25 25 MET CB C 13 31.72 0.1 . 1 . . . . . . . . . 5182 1 122 . 1 1 25 25 MET N N 15 116.70 0.1 . 1 . . . . . . . . . 5182 1 123 . 1 1 26 26 LEU H H 1 7.45 0.01 . 1 . . . . . . . . . 5182 1 124 . 1 1 26 26 LEU C C 13 175.02 0.1 . 1 . . . . . . . . . 5182 1 125 . 1 1 26 26 LEU CA C 13 53.20 0.1 . 1 . . . . . . . . . 5182 1 126 . 1 1 26 26 LEU CB C 13 43.47 0.1 . 1 . . . . . . . . . 5182 1 127 . 1 1 26 26 LEU N N 15 122.18 0.1 . 1 . . . . . . . . . 5182 1 128 . 1 1 27 27 GLU H H 1 8.33 0.01 . 1 . . . . . . . . . 5182 1 129 . 1 1 27 27 GLU C C 13 177.07 0.1 . 1 . . . . . . . . . 5182 1 130 . 1 1 27 27 GLU CA C 13 54.12 0.1 . 1 . . . . . . . . . 5182 1 131 . 1 1 27 27 GLU CB C 13 32.51 0.1 . 1 . . . . . . . . . 5182 1 132 . 1 1 27 27 GLU N N 15 118.42 0.1 . 1 . . . . . . . . . 5182 1 133 . 1 1 28 28 GLY H H 1 8.82 0.01 . 1 . . . . . . . . . 5182 1 134 . 1 1 28 28 GLY C C 13 177.28 0.1 . 1 . . . . . . . . . 5182 1 135 . 1 1 28 28 GLY CA C 13 46.12 0.1 . 1 . . . . . . . . . 5182 1 136 . 1 1 28 28 GLY N N 15 109.73 0.1 . 1 . . . . . . . . . 5182 1 137 . 1 1 29 29 ASN H H 1 9.49 0.01 . 1 . . . . . . . . . 5182 1 138 . 1 1 29 29 ASN C C 13 176.31 0.1 . 1 . . . . . . . . . 5182 1 139 . 1 1 29 29 ASN CA C 13 55.14 0.1 . 1 . . . . . . . . . 5182 1 140 . 1 1 29 29 ASN CB C 13 36.90 0.1 . 1 . . . . . . . . . 5182 1 141 . 1 1 29 29 ASN N N 15 125.54 0.1 . 1 . . . . . . . . . 5182 1 142 . 1 1 30 30 GLU H H 1 7.83 0.01 . 1 . . . . . . . . . 5182 1 143 . 1 1 30 30 GLU C C 13 176.20 0.1 . 1 . . . . . . . . . 5182 1 144 . 1 1 30 30 GLU CA C 13 57.17 0.1 . 1 . . . . . . . . . 5182 1 145 . 1 1 30 30 GLU CB C 13 28.95 0.1 . 1 . . . . . . . . . 5182 1 146 . 1 1 30 30 GLU N N 15 116.53 0.1 . 1 . . . . . . . . . 5182 1 147 . 1 1 31 31 ARG H H 1 6.87 0.01 . 1 . . . . . . . . . 5182 1 148 . 1 1 31 31 ARG C C 13 174.37 0.1 . 1 . . . . . . . . . 5182 1 149 . 1 1 31 31 ARG CA C 13 58.32 0.1 . 1 . . . . . . . . . 5182 1 150 . 1 1 31 31 ARG CB C 13 30.63 0.1 . 1 . . . . . . . . . 5182 1 151 . 1 1 31 31 ARG N N 15 114.81 0.1 . 1 . . . . . . . . . 5182 1 152 . 1 1 32 32 TYR H H 1 6.86 0.01 . 1 . . . . . . . . . 5182 1 153 . 1 1 32 32 TYR C C 13 173.98 0.1 . 1 . . . . . . . . . 5182 1 154 . 1 1 32 32 TYR CA C 13 55.50 0.1 . 1 . . . . . . . . . 5182 1 155 . 1 1 32 32 TYR CB C 13 42.27 0.1 . 1 . . . . . . . . . 5182 1 156 . 1 1 32 32 TYR N N 15 114.30 0.1 . 1 . . . . . . . . . 5182 1 157 . 1 1 33 33 GLU H H 1 9.19 0.01 . 1 . . . . . . . . . 5182 1 158 . 1 1 33 33 GLU C C 13 172.95 0.1 . 1 . . . . . . . . . 5182 1 159 . 1 1 33 33 GLU CA C 13 53.56 0.1 . 1 . . . . . . . . . 5182 1 160 . 1 1 33 33 GLU CB C 13 32.58 0.1 . 1 . . . . . . . . . 5182 1 161 . 1 1 33 33 GLU N N 15 116.33 0.1 . 1 . . . . . . . . . 5182 1 162 . 1 1 34 34 GLY H H 1 8.26 0.01 . 1 . . . . . . . . . 5182 1 163 . 1 1 34 34 GLY C C 13 174.33 0.1 . 1 . . . . . . . . . 5182 1 164 . 1 1 34 34 GLY CA C 13 42.07 0.1 . 1 . . . . . . . . . 5182 1 165 . 1 1 34 34 GLY N N 15 109.32 0.1 . 1 . . . . . . . . . 5182 1 166 . 1 1 35 35 TYR H H 1 7.34 0.01 . 1 . . . . . . . . . 5182 1 167 . 1 1 35 35 TYR C C 13 178.28 0.1 . 1 . . . . . . . . . 5182 1 168 . 1 1 35 35 TYR CA C 13 62.61 0.1 . 1 . . . . . . . . . 5182 1 169 . 1 1 35 35 TYR CB C 13 39.49 0.1 . 1 . . . . . . . . . 5182 1 170 . 1 1 35 35 TYR N N 15 119.47 0.1 . 1 . . . . . . . . . 5182 1 171 . 1 1 36 36 CYS H H 1 10.20 0.01 . 1 . . . . . . . . . 5182 1 172 . 1 1 36 36 CYS C C 13 175.50 0.1 . 1 . . . . . . . . . 5182 1 173 . 1 1 36 36 CYS CA C 13 63.86 0.1 . 1 . . . . . . . . . 5182 1 174 . 1 1 36 36 CYS CB C 13 27.05 0.1 . 1 . . . . . . . . . 5182 1 175 . 1 1 36 36 CYS N N 15 114.50 0.1 . 1 . . . . . . . . . 5182 1 176 . 1 1 37 37 VAL H H 1 6.66 0.01 . 1 . . . . . . . . . 5182 1 177 . 1 1 37 37 VAL C C 13 178.68 0.1 . 1 . . . . . . . . . 5182 1 178 . 1 1 37 37 VAL CA C 13 66.21 0.1 . 1 . . . . . . . . . 5182 1 179 . 1 1 37 37 VAL CB C 13 30.40 0.1 . 1 . . . . . . . . . 5182 1 180 . 1 1 37 37 VAL N N 15 124.19 0.1 . 1 . . . . . . . . . 5182 1 181 . 1 1 38 38 ASP H H 1 8.08 0.01 . 1 . . . . . . . . . 5182 1 182 . 1 1 38 38 ASP C C 13 179.20 0.1 . 1 . . . . . . . . . 5182 1 183 . 1 1 38 38 ASP CA C 13 57.03 0.1 . 1 . . . . . . . . . 5182 1 184 . 1 1 38 38 ASP CB C 13 40.63 0.1 . 1 . . . . . . . . . 5182 1 185 . 1 1 38 38 ASP N N 15 123.24 0.1 . 1 . . . . . . . . . 5182 1 186 . 1 1 39 39 LEU H H 1 8.30 0.01 . 1 . . . . . . . . . 5182 1 187 . 1 1 39 39 LEU C C 13 177.84 0.1 . 1 . . . . . . . . . 5182 1 188 . 1 1 39 39 LEU CA C 13 57.52 0.1 . 1 . . . . . . . . . 5182 1 189 . 1 1 39 39 LEU CB C 13 41.37 0.1 . 1 . . . . . . . . . 5182 1 190 . 1 1 39 39 LEU N N 15 120.74 0.1 . 1 . . . . . . . . . 5182 1 191 . 1 1 40 40 ALA H H 1 7.98 0.01 . 1 . . . . . . . . . 5182 1 192 . 1 1 40 40 ALA C C 13 177.87 0.1 . 1 . . . . . . . . . 5182 1 193 . 1 1 40 40 ALA CA C 13 55.25 0.1 . 1 . . . . . . . . . 5182 1 194 . 1 1 40 40 ALA CB C 13 16.93 0.1 . 1 . . . . . . . . . 5182 1 195 . 1 1 40 40 ALA N N 15 120.67 0.1 . 1 . . . . . . . . . 5182 1 196 . 1 1 41 41 ALA H H 1 7.24 0.01 . 1 . . . . . . . . . 5182 1 197 . 1 1 41 41 ALA C C 13 181.44 0.1 . 1 . . . . . . . . . 5182 1 198 . 1 1 41 41 ALA CA C 13 55.07 0.1 . 1 . . . . . . . . . 5182 1 199 . 1 1 41 41 ALA CB C 13 17.46 0.1 . 1 . . . . . . . . . 5182 1 200 . 1 1 41 41 ALA N N 15 118.70 0.1 . 1 . . . . . . . . . 5182 1 201 . 1 1 42 42 GLU H H 1 7.66 0.01 . 1 . . . . . . . . . 5182 1 202 . 1 1 42 42 GLU C C 13 180.16 0.1 . 1 . . . . . . . . . 5182 1 203 . 1 1 42 42 GLU CA C 13 58.30 0.1 . 1 . . . . . . . . . 5182 1 204 . 1 1 42 42 GLU CB C 13 29.17 0.1 . 1 . . . . . . . . . 5182 1 205 . 1 1 42 42 GLU N N 15 118.30 0.1 . 1 . . . . . . . . . 5182 1 206 . 1 1 43 43 ILE H H 1 8.61 0.01 . 1 . . . . . . . . . 5182 1 207 . 1 1 43 43 ILE C C 13 177.64 0.1 . 1 . . . . . . . . . 5182 1 208 . 1 1 43 43 ILE CA C 13 64.20 0.1 . 1 . . . . . . . . . 5182 1 209 . 1 1 43 43 ILE CB C 13 36.18 0.1 . 1 . . . . . . . . . 5182 1 210 . 1 1 43 43 ILE N N 15 122.02 0.1 . 1 . . . . . . . . . 5182 1 211 . 1 1 44 44 ALA H H 1 8.21 0.01 . 1 . . . . . . . . . 5182 1 212 . 1 1 44 44 ALA C C 13 180.12 0.1 . 1 . . . . . . . . . 5182 1 213 . 1 1 44 44 ALA CA C 13 55.27 0.1 . 1 . . . . . . . . . 5182 1 214 . 1 1 44 44 ALA CB C 13 19.68 0.1 . 1 . . . . . . . . . 5182 1 215 . 1 1 44 44 ALA N N 15 123.48 0.1 . 1 . . . . . . . . . 5182 1 216 . 1 1 45 45 LYS H H 1 7.55 0.01 . 1 . . . . . . . . . 5182 1 217 . 1 1 45 45 LYS C C 13 179.18 0.1 . 1 . . . . . . . . . 5182 1 218 . 1 1 45 45 LYS CA C 13 58.63 0.1 . 1 . . . . . . . . . 5182 1 219 . 1 1 45 45 LYS CB C 13 31.60 0.1 . 1 . . . . . . . . . 5182 1 220 . 1 1 45 45 LYS N N 15 118.15 0.1 . 1 . . . . . . . . . 5182 1 221 . 1 1 46 46 HIS H H 1 7.63 0.01 . 1 . . . . . . . . . 5182 1 222 . 1 1 46 46 HIS C C 13 177.20 0.1 . 1 . . . . . . . . . 5182 1 223 . 1 1 46 46 HIS CA C 13 59.33 0.1 . 1 . . . . . . . . . 5182 1 224 . 1 1 46 46 HIS CB C 13 29.77 0.1 . 1 . . . . . . . . . 5182 1 225 . 1 1 46 46 HIS N N 15 117.28 0.1 . 1 . . . . . . . . . 5182 1 226 . 1 1 47 47 CYS H H 1 8.08 0.01 . 1 . . . . . . . . . 5182 1 227 . 1 1 47 47 CYS C C 13 175.23 0.1 . 1 . . . . . . . . . 5182 1 228 . 1 1 47 47 CYS CA C 13 60.39 0.1 . 1 . . . . . . . . . 5182 1 229 . 1 1 47 47 CYS CB C 13 29.33 0.1 . 1 . . . . . . . . . 5182 1 230 . 1 1 47 47 CYS N N 15 114.74 0.1 . 1 . . . . . . . . . 5182 1 231 . 1 1 48 48 GLY H H 1 7.90 0.01 . 1 . . . . . . . . . 5182 1 232 . 1 1 48 48 GLY C C 13 174.00 0.1 . 1 . . . . . . . . . 5182 1 233 . 1 1 48 48 GLY CA C 13 46.42 0.1 . 1 . . . . . . . . . 5182 1 234 . 1 1 48 48 GLY N N 15 109.81 0.1 . 1 . . . . . . . . . 5182 1 235 . 1 1 49 49 PHE H H 1 7.11 0.01 . 1 . . . . . . . . . 5182 1 236 . 1 1 49 49 PHE C C 13 174.80 0.1 . 1 . . . . . . . . . 5182 1 237 . 1 1 49 49 PHE CA C 13 54.19 0.1 . 1 . . . . . . . . . 5182 1 238 . 1 1 49 49 PHE CB C 13 40.58 0.1 . 1 . . . . . . . . . 5182 1 239 . 1 1 49 49 PHE N N 15 114.55 0.1 . 1 . . . . . . . . . 5182 1 240 . 1 1 50 50 LYS H H 1 8.81 0.01 . 1 . . . . . . . . . 5182 1 241 . 1 1 50 50 LYS C C 13 176.48 0.1 . 1 . . . . . . . . . 5182 1 242 . 1 1 50 50 LYS CA C 13 54.92 0.1 . 1 . . . . . . . . . 5182 1 243 . 1 1 50 50 LYS CB C 13 33.17 0.1 . 1 . . . . . . . . . 5182 1 244 . 1 1 50 50 LYS N N 15 121.92 0.1 . 1 . . . . . . . . . 5182 1 245 . 1 1 51 51 TYR H H 1 8.41 0.01 . 1 . . . . . . . . . 5182 1 246 . 1 1 51 51 TYR C C 13 173.95 0.1 . 1 . . . . . . . . . 5182 1 247 . 1 1 51 51 TYR CA C 13 55.53 0.1 . 1 . . . . . . . . . 5182 1 248 . 1 1 51 51 TYR CB C 13 41.91 0.1 . 1 . . . . . . . . . 5182 1 249 . 1 1 51 51 TYR N N 15 117.62 0.1 . 1 . . . . . . . . . 5182 1 250 . 1 1 52 52 LYS H H 1 8.81 0.01 . 1 . . . . . . . . . 5182 1 251 . 1 1 52 52 LYS C C 13 175.56 0.1 . 1 . . . . . . . . . 5182 1 252 . 1 1 52 52 LYS CA C 13 54.18 0.1 . 1 . . . . . . . . . 5182 1 253 . 1 1 52 52 LYS CB C 13 35.08 0.1 . 1 . . . . . . . . . 5182 1 254 . 1 1 52 52 LYS N N 15 122.88 0.1 . 1 . . . . . . . . . 5182 1 255 . 1 1 53 53 LEU H H 1 8.76 0.01 . 1 . . . . . . . . . 5182 1 256 . 1 1 53 53 LEU C C 13 176.23 0.1 . 1 . . . . . . . . . 5182 1 257 . 1 1 53 53 LEU CA C 13 55.02 0.1 . 1 . . . . . . . . . 5182 1 258 . 1 1 53 53 LEU CB C 13 41.77 0.1 . 1 . . . . . . . . . 5182 1 259 . 1 1 53 53 LEU N N 15 125.90 0.1 . 1 . . . . . . . . . 5182 1 260 . 1 1 54 54 THR H H 1 8.68 0.01 . 1 . . . . . . . . . 5182 1 261 . 1 1 54 54 THR C C 13 171.11 0.1 . 1 . . . . . . . . . 5182 1 262 . 1 1 54 54 THR CA C 13 59.85 0.1 . 1 . . . . . . . . . 5182 1 263 . 1 1 54 54 THR CB C 13 70.87 0.1 . 1 . . . . . . . . . 5182 1 264 . 1 1 54 54 THR N N 15 120.07 0.1 . 1 . . . . . . . . . 5182 1 265 . 1 1 55 55 ILE H H 1 8.10 0.01 . 1 . . . . . . . . . 5182 1 266 . 1 1 55 55 ILE C C 13 176.76 0.1 . 1 . . . . . . . . . 5182 1 267 . 1 1 55 55 ILE CA C 13 57.22 0.1 . 1 . . . . . . . . . 5182 1 268 . 1 1 55 55 ILE CB C 13 34.37 0.1 . 1 . . . . . . . . . 5182 1 269 . 1 1 55 55 ILE N N 15 123.43 0.1 . 1 . . . . . . . . . 5182 1 270 . 1 1 56 56 VAL H H 1 8.78 0.01 . 1 . . . . . . . . . 5182 1 271 . 1 1 56 56 VAL C C 13 177.51 0.1 . 1 . . . . . . . . . 5182 1 272 . 1 1 56 56 VAL CA C 13 60.99 0.1 . 1 . . . . . . . . . 5182 1 273 . 1 1 56 56 VAL CB C 13 30.27 0.1 . 1 . . . . . . . . . 5182 1 274 . 1 1 56 56 VAL N N 15 131.26 0.1 . 1 . . . . . . . . . 5182 1 275 . 1 1 57 57 GLY H H 1 8.92 0.01 . 1 . . . . . . . . . 5182 1 276 . 1 1 57 57 GLY C C 13 175.51 0.1 . 1 . . . . . . . . . 5182 1 277 . 1 1 57 57 GLY CA C 13 48.00 0.1 . 1 . . . . . . . . . 5182 1 278 . 1 1 57 57 GLY N N 15 119.18 0.1 . 1 . . . . . . . . . 5182 1 279 . 1 1 58 58 ASP H H 1 7.85 0.01 . 1 . . . . . . . . . 5182 1 280 . 1 1 58 58 ASP C C 13 178.31 0.1 . 1 . . . . . . . . . 5182 1 281 . 1 1 58 58 ASP CA C 13 52.29 0.1 . 1 . . . . . . . . . 5182 1 282 . 1 1 58 58 ASP CB C 13 40.31 0.1 . 1 . . . . . . . . . 5182 1 283 . 1 1 58 58 ASP N N 15 117.32 0.1 . 1 . . . . . . . . . 5182 1 284 . 1 1 59 59 GLY H H 1 7.39 0.01 . 1 . . . . . . . . . 5182 1 285 . 1 1 59 59 GLY C C 13 173.84 0.1 . 1 . . . . . . . . . 5182 1 286 . 1 1 59 59 GLY CA C 13 46.17 0.1 . 1 . . . . . . . . . 5182 1 287 . 1 1 59 59 GLY N N 15 106.30 0.1 . 1 . . . . . . . . . 5182 1 288 . 1 1 60 60 LYS H H 1 7.82 0.01 . 1 . . . . . . . . . 5182 1 289 . 1 1 60 60 LYS C C 13 175.54 0.1 . 1 . . . . . . . . . 5182 1 290 . 1 1 60 60 LYS CA C 13 54.87 0.1 . 1 . . . . . . . . . 5182 1 291 . 1 1 60 60 LYS CB C 13 34.78 0.1 . 1 . . . . . . . . . 5182 1 292 . 1 1 60 60 LYS N N 15 120.39 0.1 . 1 . . . . . . . . . 5182 1 293 . 1 1 61 61 TYR H H 1 8.38 0.01 . 1 . . . . . . . . . 5182 1 294 . 1 1 61 61 TYR C C 13 177.89 0.1 . 1 . . . . . . . . . 5182 1 295 . 1 1 61 61 TYR CA C 13 61.99 0.1 . 1 . . . . . . . . . 5182 1 296 . 1 1 61 61 TYR CB C 13 38.37 0.1 . 1 . . . . . . . . . 5182 1 297 . 1 1 61 61 TYR N N 15 119.84 0.1 . 1 . . . . . . . . . 5182 1 298 . 1 1 62 62 GLY H H 1 7.89 0.01 . 1 . . . . . . . . . 5182 1 299 . 1 1 62 62 GLY C C 13 172.87 0.1 . 1 . . . . . . . . . 5182 1 300 . 1 1 62 62 GLY CA C 13 46.70 0.1 . 1 . . . . . . . . . 5182 1 301 . 1 1 62 62 GLY N N 15 103.08 0.1 . 1 . . . . . . . . . 5182 1 302 . 1 1 63 63 ALA H H 1 9.05 0.01 . 1 . . . . . . . . . 5182 1 303 . 1 1 63 63 ALA C C 13 174.17 0.1 . 1 . . . . . . . . . 5182 1 304 . 1 1 63 63 ALA CA C 13 51.10 0.1 . 1 . . . . . . . . . 5182 1 305 . 1 1 63 63 ALA CB C 13 22.05 0.1 . 1 . . . . . . . . . 5182 1 306 . 1 1 63 63 ALA N N 15 133.93 0.1 . 1 . . . . . . . . . 5182 1 307 . 1 1 64 64 ARG H H 1 7.67 0.01 . 1 . . . . . . . . . 5182 1 308 . 1 1 64 64 ARG C C 13 175.95 0.1 . 1 . . . . . . . . . 5182 1 309 . 1 1 64 64 ARG CA C 13 53.80 0.1 . 1 . . . . . . . . . 5182 1 310 . 1 1 64 64 ARG CB C 13 29.57 0.1 . 1 . . . . . . . . . 5182 1 311 . 1 1 64 64 ARG N N 15 122.95 0.1 . 1 . . . . . . . . . 5182 1 312 . 1 1 65 65 ASP H H 1 7.80 0.01 . 1 . . . . . . . . . 5182 1 313 . 1 1 65 65 ASP C C 13 175.94 0.1 . 1 . . . . . . . . . 5182 1 314 . 1 1 65 65 ASP CA C 13 54.81 0.1 . 1 . . . . . . . . . 5182 1 315 . 1 1 65 65 ASP CB C 13 42.65 0.1 . 1 . . . . . . . . . 5182 1 316 . 1 1 65 65 ASP N N 15 130.51 0.1 . 1 . . . . . . . . . 5182 1 317 . 1 1 66 66 ALA H H 1 8.68 0.01 . 1 . . . . . . . . . 5182 1 318 . 1 1 66 66 ALA C C 13 178.22 0.1 . 1 . . . . . . . . . 5182 1 319 . 1 1 66 66 ALA CA C 13 54.60 0.1 . 1 . . . . . . . . . 5182 1 320 . 1 1 66 66 ALA CB C 13 18.46 0.1 . 1 . . . . . . . . . 5182 1 321 . 1 1 66 66 ALA N N 15 129.83 0.1 . 1 . . . . . . . . . 5182 1 322 . 1 1 67 67 ASP H H 1 8.39 0.01 . 1 . . . . . . . . . 5182 1 323 . 1 1 67 67 ASP C C 13 177.88 0.1 . 1 . . . . . . . . . 5182 1 324 . 1 1 67 67 ASP CA C 13 56.04 0.1 . 1 . . . . . . . . . 5182 1 325 . 1 1 67 67 ASP CB C 13 41.34 0.1 . 1 . . . . . . . . . 5182 1 326 . 1 1 67 67 ASP N N 15 116.32 0.1 . 1 . . . . . . . . . 5182 1 327 . 1 1 68 68 THR C C 13 175.89 0.1 . 1 . . . . . . . . . 5182 1 328 . 1 1 68 68 THR CB C 13 69.91 0.1 . 1 . . . . . . . . . 5182 1 329 . 1 1 68 68 THR CA C 13 62.11 0.1 . 1 . . . . . . . . . 5182 1 330 . 1 1 69 69 LYS H H 1 7.80 0.01 . 1 . . . . . . . . . 5182 1 331 . 1 1 69 69 LYS C C 13 174.84 0.1 . 1 . . . . . . . . . 5182 1 332 . 1 1 69 69 LYS CA C 13 57.32 0.1 . 1 . . . . . . . . . 5182 1 333 . 1 1 69 69 LYS CB C 13 28.40 0.1 . 1 . . . . . . . . . 5182 1 334 . 1 1 69 69 LYS N N 15 114.96 0.1 . 1 . . . . . . . . . 5182 1 335 . 1 1 70 70 ILE H H 1 7.30 0.01 . 1 . . . . . . . . . 5182 1 336 . 1 1 70 70 ILE C C 13 178.05 0.1 . 1 . . . . . . . . . 5182 1 337 . 1 1 70 70 ILE CA C 13 59.95 0.1 . 1 . . . . . . . . . 5182 1 338 . 1 1 70 70 ILE CB C 13 38.23 0.1 . 1 . . . . . . . . . 5182 1 339 . 1 1 70 70 ILE N N 15 120.12 0.1 . 1 . . . . . . . . . 5182 1 340 . 1 1 71 71 TRP H H 1 8.61 0.01 . 1 . . . . . . . . . 5182 1 341 . 1 1 71 71 TRP C C 13 175.53 0.1 . 1 . . . . . . . . . 5182 1 342 . 1 1 71 71 TRP CA C 13 57.84 0.1 . 1 . . . . . . . . . 5182 1 343 . 1 1 71 71 TRP CB C 13 30.13 0.1 . 1 . . . . . . . . . 5182 1 344 . 1 1 71 71 TRP N N 15 130.00 0.1 . 1 . . . . . . . . . 5182 1 345 . 1 1 72 72 ASN H H 1 8.17 0.01 . 1 . . . . . . . . . 5182 1 346 . 1 1 72 72 ASN C C 13 176.54 0.1 . 1 . . . . . . . . . 5182 1 347 . 1 1 72 72 ASN CA C 13 49.98 0.1 . 1 . . . . . . . . . 5182 1 348 . 1 1 72 72 ASN CB C 13 39.30 0.1 . 1 . . . . . . . . . 5182 1 349 . 1 1 72 72 ASN N N 15 121.17 0.1 . 1 . . . . . . . . . 5182 1 350 . 1 1 73 73 GLY H H 1 10.02 0.01 . 1 . . . . . . . . . 5182 1 351 . 1 1 73 73 GLY C C 13 176.70 0.1 . 1 . . . . . . . . . 5182 1 352 . 1 1 73 73 GLY CA C 13 46.22 0.1 . 1 . . . . . . . . . 5182 1 353 . 1 1 73 73 GLY N N 15 107.35 0.1 . 1 . . . . . . . . . 5182 1 354 . 1 1 74 74 MET H H 1 7.65 0.01 . 1 . . . . . . . . . 5182 1 355 . 1 1 74 74 MET C C 13 178.04 0.1 . 1 . . . . . . . . . 5182 1 356 . 1 1 74 74 MET CA C 13 59.10 0.1 . 1 . . . . . . . . . 5182 1 357 . 1 1 74 74 MET CB C 13 34.25 0.1 . 1 . . . . . . . . . 5182 1 358 . 1 1 74 74 MET N N 15 124.40 0.1 . 1 . . . . . . . . . 5182 1 359 . 1 1 75 75 VAL H H 1 7.43 0.01 . 1 . . . . . . . . . 5182 1 360 . 1 1 75 75 VAL C C 13 177.30 0.1 . 1 . . . . . . . . . 5182 1 361 . 1 1 75 75 VAL CA C 13 67.06 0.1 . 1 . . . . . . . . . 5182 1 362 . 1 1 75 75 VAL CB C 13 30.95 0.1 . 1 . . . . . . . . . 5182 1 363 . 1 1 75 75 VAL N N 15 115.06 0.1 . 1 . . . . . . . . . 5182 1 364 . 1 1 76 76 GLY H H 1 7.75 0.01 . 1 . . . . . . . . . 5182 1 365 . 1 1 76 76 GLY C C 13 174.38 0.1 . 1 . . . . . . . . . 5182 1 366 . 1 1 76 76 GLY CA C 13 46.97 0.1 . 1 . . . . . . . . . 5182 1 367 . 1 1 76 76 GLY N N 15 106.97 0.1 . 1 . . . . . . . . . 5182 1 368 . 1 1 77 77 GLU H H 1 7.59 0.01 . 1 . . . . . . . . . 5182 1 369 . 1 1 77 77 GLU C C 13 178.80 0.1 . 1 . . . . . . . . . 5182 1 370 . 1 1 77 77 GLU CA C 13 60.29 0.1 . 1 . . . . . . . . . 5182 1 371 . 1 1 77 77 GLU CB C 13 28.17 0.1 . 1 . . . . . . . . . 5182 1 372 . 1 1 77 77 GLU N N 15 119.46 0.1 . 1 . . . . . . . . . 5182 1 373 . 1 1 78 78 LEU H H 1 7.23 0.01 . 1 . . . . . . . . . 5182 1 374 . 1 1 78 78 LEU C C 13 179.25 0.1 . 1 . . . . . . . . . 5182 1 375 . 1 1 78 78 LEU CA C 13 56.62 0.1 . 1 . . . . . . . . . 5182 1 376 . 1 1 78 78 LEU CB C 13 41.78 0.1 . 1 . . . . . . . . . 5182 1 377 . 1 1 78 78 LEU N N 15 117.28 0.1 . 1 . . . . . . . . . 5182 1 378 . 1 1 79 79 VAL H H 1 8.09 0.01 . 1 . . . . . . . . . 5182 1 379 . 1 1 79 79 VAL C C 13 178.50 0.1 . 1 . . . . . . . . . 5182 1 380 . 1 1 79 79 VAL CA C 13 65.48 0.1 . 1 . . . . . . . . . 5182 1 381 . 1 1 79 79 VAL CB C 13 31.41 0.1 . 1 . . . . . . . . . 5182 1 382 . 1 1 79 79 VAL N N 15 120.20 0.1 . 1 . . . . . . . . . 5182 1 383 . 1 1 80 80 TYR H H 1 8.14 0.01 . 1 . . . . . . . . . 5182 1 384 . 1 1 80 80 TYR C C 13 177.14 0.1 . 1 . . . . . . . . . 5182 1 385 . 1 1 80 80 TYR CA C 13 56.44 0.1 . 1 . . . . . . . . . 5182 1 386 . 1 1 80 80 TYR CB C 13 35.96 0.1 . 1 . . . . . . . . . 5182 1 387 . 1 1 80 80 TYR N N 15 115.44 0.1 . 1 . . . . . . . . . 5182 1 388 . 1 1 81 81 GLY H H 1 7.18 0.01 . 1 . . . . . . . . . 5182 1 389 . 1 1 81 81 GLY C C 13 175.20 0.1 . 1 . . . . . . . . . 5182 1 390 . 1 1 81 81 GLY CA C 13 47.02 0.1 . 1 . . . . . . . . . 5182 1 391 . 1 1 81 81 GLY N N 15 107.28 0.1 . 1 . . . . . . . . . 5182 1 392 . 1 1 82 82 LYS H H 1 8.57 0.01 . 1 . . . . . . . . . 5182 1 393 . 1 1 82 82 LYS C C 13 175.78 0.1 . 1 . . . . . . . . . 5182 1 394 . 1 1 82 82 LYS CA C 13 55.98 0.1 . 1 . . . . . . . . . 5182 1 395 . 1 1 82 82 LYS CB C 13 32.21 0.1 . 1 . . . . . . . . . 5182 1 396 . 1 1 82 82 LYS N N 15 119.13 0.1 . 1 . . . . . . . . . 5182 1 397 . 1 1 83 83 ALA H H 1 7.40 0.01 . 1 . . . . . . . . . 5182 1 398 . 1 1 83 83 ALA C C 13 174.55 0.1 . 1 . . . . . . . . . 5182 1 399 . 1 1 83 83 ALA CA C 13 50.45 0.1 . 1 . . . . . . . . . 5182 1 400 . 1 1 83 83 ALA CB C 13 21.65 0.1 . 1 . . . . . . . . . 5182 1 401 . 1 1 83 83 ALA N N 15 119.98 0.1 . 1 . . . . . . . . . 5182 1 402 . 1 1 84 84 ASP H H 1 8.65 0.01 . 1 . . . . . . . . . 5182 1 403 . 1 1 84 84 ASP C C 13 175.15 0.1 . 1 . . . . . . . . . 5182 1 404 . 1 1 84 84 ASP CA C 13 55.97 0.1 . 1 . . . . . . . . . 5182 1 405 . 1 1 84 84 ASP CB C 13 43.60 0.1 . 1 . . . . . . . . . 5182 1 406 . 1 1 84 84 ASP N N 15 118.45 0.1 . 1 . . . . . . . . . 5182 1 407 . 1 1 85 85 ILE H H 1 7.56 0.01 . 1 . . . . . . . . . 5182 1 408 . 1 1 85 85 ILE C C 13 172.35 0.1 . 1 . . . . . . . . . 5182 1 409 . 1 1 85 85 ILE CA C 13 59.16 0.1 . 1 . . . . . . . . . 5182 1 410 . 1 1 85 85 ILE CB C 13 40.06 0.1 . 1 . . . . . . . . . 5182 1 411 . 1 1 85 85 ILE N N 15 114.90 0.1 . 1 . . . . . . . . . 5182 1 412 . 1 1 86 86 ALA H H 1 9.34 0.01 . 1 . . . . . . . . . 5182 1 413 . 1 1 86 86 ALA C C 13 177.68 0.1 . 1 . . . . . . . . . 5182 1 414 . 1 1 86 86 ALA CA C 13 50.19 0.1 . 1 . . . . . . . . . 5182 1 415 . 1 1 86 86 ALA CB C 13 21.17 0.1 . 1 . . . . . . . . . 5182 1 416 . 1 1 86 86 ALA N N 15 129.27 0.1 . 1 . . . . . . . . . 5182 1 417 . 1 1 87 87 ILE H H 1 7.31 0.01 . 1 . . . . . . . . . 5182 1 418 . 1 1 87 87 ILE C C 13 172.30 0.1 . 1 . . . . . . . . . 5182 1 419 . 1 1 87 87 ILE CA C 13 61.66 0.1 . 1 . . . . . . . . . 5182 1 420 . 1 1 87 87 ILE CB C 13 36.55 0.1 . 1 . . . . . . . . . 5182 1 421 . 1 1 87 87 ILE N N 15 123.71 0.1 . 1 . . . . . . . . . 5182 1 422 . 1 1 88 88 ALA H H 1 9.18 0.01 . 1 . . . . . . . . . 5182 1 423 . 1 1 88 88 ALA C C 13 174.33 0.1 . 1 . . . . . . . . . 5182 1 424 . 1 1 88 88 ALA CA C 13 50.84 0.1 . 1 . . . . . . . . . 5182 1 425 . 1 1 88 88 ALA CB C 13 21.31 0.1 . 1 . . . . . . . . . 5182 1 426 . 1 1 88 88 ALA N N 15 131.57 0.1 . 1 . . . . . . . . . 5182 1 427 . 1 1 89 89 PRO C C 13 171.55 0.1 . 1 . . . . . . . . . 5182 1 428 . 1 1 89 89 PRO CA C 13 60.07 0.1 . 1 . . . . . . . . . 5182 1 429 . 1 1 89 89 PRO CB C 13 25.54 0.1 . 1 . . . . . . . . . 5182 1 430 . 1 1 90 90 LEU H H 1 7.76 0.01 . 1 . . . . . . . . . 5182 1 431 . 1 1 90 90 LEU C C 13 174.74 0.1 . 1 . . . . . . . . . 5182 1 432 . 1 1 90 90 LEU CA C 13 52.85 0.1 . 1 . . . . . . . . . 5182 1 433 . 1 1 90 90 LEU CB C 13 43.98 0.1 . 1 . . . . . . . . . 5182 1 434 . 1 1 90 90 LEU N N 15 126.69 0.1 . 1 . . . . . . . . . 5182 1 435 . 1 1 91 91 THR H H 1 9.18 0.01 . 1 . . . . . . . . . 5182 1 436 . 1 1 91 91 THR C C 13 173.65 0.1 . 1 . . . . . . . . . 5182 1 437 . 1 1 91 91 THR CA C 13 63.40 0.1 . 1 . . . . . . . . . 5182 1 438 . 1 1 91 91 THR CB C 13 68.23 0.1 . 1 . . . . . . . . . 5182 1 439 . 1 1 91 91 THR N N 15 125.11 0.1 . 1 . . . . . . . . . 5182 1 440 . 1 1 92 92 ILE H H 1 8.11 0.01 . 1 . . . . . . . . . 5182 1 441 . 1 1 92 92 ILE C C 13 175.77 0.1 . 1 . . . . . . . . . 5182 1 442 . 1 1 92 92 ILE CA C 13 62.25 0.1 . 1 . . . . . . . . . 5182 1 443 . 1 1 92 92 ILE CB C 13 36.55 0.1 . 1 . . . . . . . . . 5182 1 444 . 1 1 92 92 ILE N N 15 128.41 0.1 . 1 . . . . . . . . . 5182 1 445 . 1 1 93 93 THR H H 1 6.31 0.01 . 1 . . . . . . . . . 5182 1 446 . 1 1 93 93 THR C C 13 173.96 0.1 . 1 . . . . . . . . . 5182 1 447 . 1 1 93 93 THR CA C 13 57.82 0.1 . 1 . . . . . . . . . 5182 1 448 . 1 1 93 93 THR CB C 13 71.45 0.1 . 1 . . . . . . . . . 5182 1 449 . 1 1 93 93 THR N N 15 117.67 0.1 . 1 . . . . . . . . . 5182 1 450 . 1 1 94 94 LEU H H 1 8.50 0.01 . 1 . . . . . . . . . 5182 1 451 . 1 1 94 94 LEU C C 13 180.17 0.1 . 1 . . . . . . . . . 5182 1 452 . 1 1 94 94 LEU CA C 13 55.05 0.1 . 1 . . . . . . . . . 5182 1 453 . 1 1 94 94 LEU CB C 13 40.96 0.1 . 1 . . . . . . . . . 5182 1 454 . 1 1 94 94 LEU N N 15 124.93 0.1 . 1 . . . . . . . . . 5182 1 455 . 1 1 95 95 VAL H H 1 7.96 0.01 . 1 . . . . . . . . . 5182 1 456 . 1 1 95 95 VAL C C 13 179.20 0.1 . 1 . . . . . . . . . 5182 1 457 . 1 1 95 95 VAL CA C 13 65.17 0.1 . 1 . . . . . . . . . 5182 1 458 . 1 1 95 95 VAL CB C 13 30.98 0.1 . 1 . . . . . . . . . 5182 1 459 . 1 1 95 95 VAL N N 15 117.06 0.1 . 1 . . . . . . . . . 5182 1 460 . 1 1 96 96 ARG H H 1 7.40 0.01 . 1 . . . . . . . . . 5182 1 461 . 1 1 96 96 ARG C C 13 178.05 0.1 . 1 . . . . . . . . . 5182 1 462 . 1 1 96 96 ARG CA C 13 58.88 0.1 . 1 . . . . . . . . . 5182 1 463 . 1 1 96 96 ARG CB C 13 30.73 0.1 . 1 . . . . . . . . . 5182 1 464 . 1 1 96 96 ARG N N 15 119.03 0.1 . 1 . . . . . . . . . 5182 1 465 . 1 1 97 97 GLU H H 1 8.27 0.01 . 1 . . . . . . . . . 5182 1 466 . 1 1 97 97 GLU C C 13 176.80 0.1 . 1 . . . . . . . . . 5182 1 467 . 1 1 97 97 GLU CA C 13 57.58 0.1 . 1 . . . . . . . . . 5182 1 468 . 1 1 97 97 GLU CB C 13 28.76 0.1 . 1 . . . . . . . . . 5182 1 469 . 1 1 97 97 GLU N N 15 119.89 0.1 . 1 . . . . . . . . . 5182 1 470 . 1 1 98 98 GLU H H 1 7.17 0.01 . 1 . . . . . . . . . 5182 1 471 . 1 1 98 98 GLU C C 13 178.33 0.1 . 1 . . . . . . . . . 5182 1 472 . 1 1 98 98 GLU CA C 13 58.70 0.1 . 1 . . . . . . . . . 5182 1 473 . 1 1 98 98 GLU CB C 13 30.00 0.1 . 1 . . . . . . . . . 5182 1 474 . 1 1 98 98 GLU N N 15 116.29 0.1 . 1 . . . . . . . . . 5182 1 475 . 1 1 99 99 VAL H H 1 7.56 0.01 . 1 . . . . . . . . . 5182 1 476 . 1 1 99 99 VAL C C 13 174.58 0.1 . 1 . . . . . . . . . 5182 1 477 . 1 1 99 99 VAL CA C 13 61.17 0.1 . 1 . . . . . . . . . 5182 1 478 . 1 1 99 99 VAL CB C 13 33.56 0.1 . 1 . . . . . . . . . 5182 1 479 . 1 1 99 99 VAL N N 15 107.29 0.1 . 1 . . . . . . . . . 5182 1 480 . 1 1 100 100 ILE H H 1 7.97 0.01 . 1 . . . . . . . . . 5182 1 481 . 1 1 100 100 ILE C C 13 172.58 0.1 . 1 . . . . . . . . . 5182 1 482 . 1 1 100 100 ILE CA C 13 59.87 0.1 . 1 . . . . . . . . . 5182 1 483 . 1 1 100 100 ILE CB C 13 40.65 0.1 . 1 . . . . . . . . . 5182 1 484 . 1 1 100 100 ILE N N 15 118.52 0.1 . 1 . . . . . . . . . 5182 1 485 . 1 1 101 101 ASP H H 1 8.36 0.01 . 1 . . . . . . . . . 5182 1 486 . 1 1 101 101 ASP C C 13 175.45 0.1 . 1 . . . . . . . . . 5182 1 487 . 1 1 101 101 ASP CA C 13 52.52 0.1 . 1 . . . . . . . . . 5182 1 488 . 1 1 101 101 ASP CB C 13 42.35 0.1 . 1 . . . . . . . . . 5182 1 489 . 1 1 101 101 ASP N N 15 118.51 0.1 . 1 . . . . . . . . . 5182 1 490 . 1 1 102 102 PHE H H 1 8.64 0.01 . 1 . . . . . . . . . 5182 1 491 . 1 1 102 102 PHE C C 13 176.87 0.1 . 1 . . . . . . . . . 5182 1 492 . 1 1 102 102 PHE CA C 13 56.45 0.1 . 1 . . . . . . . . . 5182 1 493 . 1 1 102 102 PHE CB C 13 43.24 0.1 . 1 . . . . . . . . . 5182 1 494 . 1 1 102 102 PHE N N 15 117.12 0.1 . 1 . . . . . . . . . 5182 1 495 . 1 1 103 103 SER H H 1 8.72 0.01 . 1 . . . . . . . . . 5182 1 496 . 1 1 103 103 SER C C 13 175.13 0.1 . 1 . . . . . . . . . 5182 1 497 . 1 1 103 103 SER CA C 13 58.10 0.1 . 1 . . . . . . . . . 5182 1 498 . 1 1 103 103 SER CB C 13 66.64 0.1 . 1 . . . . . . . . . 5182 1 499 . 1 1 103 103 SER N N 15 116.24 0.1 . 1 . . . . . . . . . 5182 1 500 . 1 1 104 104 LYS H H 1 8.46 0.01 . 1 . . . . . . . . . 5182 1 501 . 1 1 104 104 LYS CA C 13 54.62 0.1 . 1 . . . . . . . . . 5182 1 502 . 1 1 104 104 LYS CB C 13 30.40 0.1 . 1 . . . . . . . . . 5182 1 503 . 1 1 104 104 LYS N N 15 119.45 0.1 . 1 . . . . . . . . . 5182 1 504 . 1 1 105 105 PRO C C 13 177.90 0.1 . 1 . . . . . . . . . 5182 1 505 . 1 1 105 105 PRO CA C 13 62.30 0.1 . 1 . . . . . . . . . 5182 1 506 . 1 1 105 105 PRO CB C 13 31.47 0.1 . 1 . . . . . . . . . 5182 1 507 . 1 1 106 106 PHE H H 1 8.30 0.01 . 1 . . . . . . . . . 5182 1 508 . 1 1 106 106 PHE C C 13 173.90 0.1 . 1 . . . . . . . . . 5182 1 509 . 1 1 106 106 PHE CA C 13 55.01 0.1 . 1 . . . . . . . . . 5182 1 510 . 1 1 106 106 PHE CB C 13 39.41 0.1 . 1 . . . . . . . . . 5182 1 511 . 1 1 106 106 PHE N N 15 115.86 0.1 . 1 . . . . . . . . . 5182 1 512 . 1 1 107 107 MET H H 1 6.78 0.01 . 1 . . . . . . . . . 5182 1 513 . 1 1 107 107 MET C C 13 173.12 0.1 . 1 . . . . . . . . . 5182 1 514 . 1 1 107 107 MET CA C 13 56.02 0.1 . 1 . . . . . . . . . 5182 1 515 . 1 1 107 107 MET CB C 13 36.03 0.1 . 1 . . . . . . . . . 5182 1 516 . 1 1 107 107 MET N N 15 120.33 0.1 . 1 . . . . . . . . . 5182 1 517 . 1 1 108 108 SER H H 1 8.09 0.01 . 1 . . . . . . . . . 5182 1 518 . 1 1 108 108 SER C C 13 172.70 0.1 . 1 . . . . . . . . . 5182 1 519 . 1 1 108 108 SER CA C 13 57.17 0.1 . 1 . . . . . . . . . 5182 1 520 . 1 1 108 108 SER CB C 13 64.18 0.1 . 1 . . . . . . . . . 5182 1 521 . 1 1 108 108 SER N N 15 120.08 0.1 . 1 . . . . . . . . . 5182 1 522 . 1 1 109 109 LEU H H 1 8.08 0.01 . 1 . . . . . . . . . 5182 1 523 . 1 1 109 109 LEU C C 13 174.30 0.1 . 1 . . . . . . . . . 5182 1 524 . 1 1 109 109 LEU CA C 13 54.79 0.1 . 1 . . . . . . . . . 5182 1 525 . 1 1 109 109 LEU CB C 13 40.86 0.1 . 1 . . . . . . . . . 5182 1 526 . 1 1 109 109 LEU N N 15 119.87 0.1 . 1 . . . . . . . . . 5182 1 527 . 1 1 110 110 GLY H H 1 7.89 0.01 . 1 . . . . . . . . . 5182 1 528 . 1 1 110 110 GLY C C 13 172.90 0.1 . 1 . . . . . . . . . 5182 1 529 . 1 1 110 110 GLY CA C 13 44.93 0.1 . 1 . . . . . . . . . 5182 1 530 . 1 1 110 110 GLY N N 15 105.46 0.1 . 1 . . . . . . . . . 5182 1 531 . 1 1 111 111 ILE H H 1 9.25 0.01 . 1 . . . . . . . . . 5182 1 532 . 1 1 111 111 ILE C C 13 173.35 0.1 . 1 . . . . . . . . . 5182 1 533 . 1 1 111 111 ILE CA C 13 64.36 0.1 . 1 . . . . . . . . . 5182 1 534 . 1 1 111 111 ILE CB C 13 37.25 0.1 . 1 . . . . . . . . . 5182 1 535 . 1 1 111 111 ILE N N 15 124.86 0.1 . 1 . . . . . . . . . 5182 1 536 . 1 1 112 112 SER H H 1 8.88 0.01 . 1 . . . . . . . . . 5182 1 537 . 1 1 112 112 SER C C 13 170.85 0.1 . 1 . . . . . . . . . 5182 1 538 . 1 1 112 112 SER CA C 13 56.63 0.1 . 1 . . . . . . . . . 5182 1 539 . 1 1 112 112 SER CB C 13 68.22 0.1 . 1 . . . . . . . . . 5182 1 540 . 1 1 112 112 SER N N 15 122.48 0.1 . 1 . . . . . . . . . 5182 1 541 . 1 1 113 113 ILE H H 1 8.31 0.01 . 1 . . . . . . . . . 5182 1 542 . 1 1 113 113 ILE C C 13 175.25 0.1 . 1 . . . . . . . . . 5182 1 543 . 1 1 113 113 ILE CA C 13 60.85 0.1 . 1 . . . . . . . . . 5182 1 544 . 1 1 113 113 ILE CB C 13 39.05 0.1 . 1 . . . . . . . . . 5182 1 545 . 1 1 113 113 ILE N N 15 118.78 0.1 . 1 . . . . . . . . . 5182 1 546 . 1 1 114 114 MET H H 1 9.45 0.01 . 1 . . . . . . . . . 5182 1 547 . 1 1 114 114 MET C C 13 174.70 0.1 . 1 . . . . . . . . . 5182 1 548 . 1 1 114 114 MET CA C 13 54.20 0.1 . 1 . . . . . . . . . 5182 1 549 . 1 1 114 114 MET CB C 13 36.77 0.1 . 1 . . . . . . . . . 5182 1 550 . 1 1 114 114 MET N N 15 131.02 0.1 . 1 . . . . . . . . . 5182 1 551 . 1 1 115 115 ILE H H 1 8.40 0.01 . 1 . . . . . . . . . 5182 1 552 . 1 1 115 115 ILE C C 13 175.95 0.1 . 1 . . . . . . . . . 5182 1 553 . 1 1 115 115 ILE CA C 13 58.08 0.1 . 1 . . . . . . . . . 5182 1 554 . 1 1 115 115 ILE CB C 13 41.41 0.1 . 1 . . . . . . . . . 5182 1 555 . 1 1 115 115 ILE N N 15 117.41 0.1 . 1 . . . . . . . . . 5182 1 556 . 1 1 116 116 LYS H H 1 8.69 0.01 . 1 . . . . . . . . . 5182 1 557 . 1 1 116 116 LYS C C 13 177.94 0.1 . 1 . . . . . . . . . 5182 1 558 . 1 1 116 116 LYS CA C 13 55.17 0.1 . 1 . . . . . . . . . 5182 1 559 . 1 1 116 116 LYS CB C 13 32.43 0.1 . 1 . . . . . . . . . 5182 1 560 . 1 1 116 116 LYS N N 15 123.18 0.1 . 1 . . . . . . . . . 5182 1 561 . 1 1 117 117 LYS H H 1 8.65 0.01 . 1 . . . . . . . . . 5182 1 562 . 1 1 117 117 LYS C C 13 176.96 0.1 . 1 . . . . . . . . . 5182 1 563 . 1 1 117 117 LYS CA C 13 59.84 0.1 . 1 . . . . . . . . . 5182 1 564 . 1 1 117 117 LYS CB C 13 31.67 0.1 . 1 . . . . . . . . . 5182 1 565 . 1 1 117 117 LYS N N 15 130.93 0.1 . 1 . . . . . . . . . 5182 1 566 . 1 1 118 118 GLY H H 1 8.72 0.01 . 1 . . . . . . . . . 5182 1 567 . 1 1 118 118 GLY C C 13 174.83 0.1 . 1 . . . . . . . . . 5182 1 568 . 1 1 118 118 GLY CA C 13 44.38 0.1 . 1 . . . . . . . . . 5182 1 569 . 1 1 118 118 GLY N N 15 113.51 0.1 . 1 . . . . . . . . . 5182 1 570 . 1 1 123 123 SER C C 13 174.04 0.1 . 1 . . . . . . . . . 5182 1 571 . 1 1 123 123 SER CA C 13 56.43 0.1 . 1 . . . . . . . . . 5182 1 572 . 1 1 123 123 SER CB C 13 66.08 0.1 . 1 . . . . . . . . . 5182 1 573 . 1 1 124 124 ALA H H 1 9.25 0.01 . 1 . . . . . . . . . 5182 1 574 . 1 1 124 124 ALA C C 13 178.47 0.1 . 1 . . . . . . . . . 5182 1 575 . 1 1 124 124 ALA CA C 13 54.91 0.1 . 1 . . . . . . . . . 5182 1 576 . 1 1 124 124 ALA CB C 13 16.98 0.1 . 1 . . . . . . . . . 5182 1 577 . 1 1 124 124 ALA N N 15 124.01 0.1 . 1 . . . . . . . . . 5182 1 578 . 1 1 125 125 GLU H H 1 8.56 0.01 . 1 . . . . . . . . . 5182 1 579 . 1 1 125 125 GLU C C 13 179.88 0.1 . 1 . . . . . . . . . 5182 1 580 . 1 1 125 125 GLU CA C 13 59.78 0.1 . 1 . . . . . . . . . 5182 1 581 . 1 1 125 125 GLU CB C 13 28.00 0.1 . 1 . . . . . . . . . 5182 1 582 . 1 1 125 125 GLU N N 15 118.52 0.1 . 1 . . . . . . . . . 5182 1 583 . 1 1 126 126 ASP H H 1 7.91 0.01 . 1 . . . . . . . . . 5182 1 584 . 1 1 126 126 ASP C C 13 179.42 0.1 . 1 . . . . . . . . . 5182 1 585 . 1 1 126 126 ASP CA C 13 57.02 0.1 . 1 . . . . . . . . . 5182 1 586 . 1 1 126 126 ASP CB C 13 40.59 0.1 . 1 . . . . . . . . . 5182 1 587 . 1 1 126 126 ASP N N 15 120.21 0.1 . 1 . . . . . . . . . 5182 1 588 . 1 1 127 127 LEU C C 13 178.92 0.1 . 1 . . . . . . . . . 5182 1 589 . 1 1 127 127 LEU CA C 13 57.20 0.1 . 1 . . . . . . . . . 5182 1 590 . 1 1 127 127 LEU CB C 13 39.96 0.1 . 1 . . . . . . . . . 5182 1 591 . 1 1 128 128 SER H H 1 7.98 0.01 . 1 . . . . . . . . . 5182 1 592 . 1 1 128 128 SER C C 13 174.88 0.1 . 1 . . . . . . . . . 5182 1 593 . 1 1 128 128 SER CA C 13 60.79 0.1 . 1 . . . . . . . . . 5182 1 594 . 1 1 128 128 SER CB C 13 63.53 0.1 . 1 . . . . . . . . . 5182 1 595 . 1 1 128 128 SER N N 15 112.27 0.1 . 1 . . . . . . . . . 5182 1 596 . 1 1 129 129 LYS H H 1 7.03 0.01 . 1 . . . . . . . . . 5182 1 597 . 1 1 129 129 LYS C C 13 174.77 0.1 . 1 . . . . . . . . . 5182 1 598 . 1 1 129 129 LYS CA C 13 56.29 0.1 . 1 . . . . . . . . . 5182 1 599 . 1 1 129 129 LYS CB C 13 32.75 0.1 . 1 . . . . . . . . . 5182 1 600 . 1 1 129 129 LYS N N 15 120.80 0.1 . 1 . . . . . . . . . 5182 1 601 . 1 1 130 130 GLN H H 1 7.67 0.01 . 1 . . . . . . . . . 5182 1 602 . 1 1 130 130 GLN C C 13 174.18 0.1 . 1 . . . . . . . . . 5182 1 603 . 1 1 130 130 GLN CA C 13 53.26 0.1 . 1 . . . . . . . . . 5182 1 604 . 1 1 130 130 GLN CB C 13 30.55 0.1 . 1 . . . . . . . . . 5182 1 605 . 1 1 130 130 GLN N N 15 116.86 0.1 . 1 . . . . . . . . . 5182 1 606 . 1 1 131 131 THR H H 1 8.54 0.01 . 1 . . . . . . . . . 5182 1 607 . 1 1 131 131 THR C C 13 174.30 0.1 . 1 . . . . . . . . . 5182 1 608 . 1 1 131 131 THR CA C 13 60.81 0.1 . 1 . . . . . . . . . 5182 1 609 . 1 1 131 131 THR CB C 13 70.14 0.1 . 1 . . . . . . . . . 5182 1 610 . 1 1 131 131 THR N N 15 107.18 0.1 . 1 . . . . . . . . . 5182 1 611 . 1 1 132 132 GLU H H 1 7.36 0.01 . 1 . . . . . . . . . 5182 1 612 . 1 1 132 132 GLU C C 13 176.60 0.1 . 1 . . . . . . . . . 5182 1 613 . 1 1 132 132 GLU CA C 13 58.87 0.1 . 1 . . . . . . . . . 5182 1 614 . 1 1 132 132 GLU CB C 13 30.09 0.1 . 1 . . . . . . . . . 5182 1 615 . 1 1 132 132 GLU N N 15 125.53 0.1 . 1 . . . . . . . . . 5182 1 616 . 1 1 133 133 ILE H H 1 9.72 0.01 . 1 . . . . . . . . . 5182 1 617 . 1 1 133 133 ILE C C 13 176.14 0.1 . 1 . . . . . . . . . 5182 1 618 . 1 1 133 133 ILE CA C 13 60.62 0.1 . 1 . . . . . . . . . 5182 1 619 . 1 1 133 133 ILE CB C 13 37.43 0.1 . 1 . . . . . . . . . 5182 1 620 . 1 1 133 133 ILE N N 15 122.78 0.1 . 1 . . . . . . . . . 5182 1 621 . 1 1 134 134 ALA H H 1 7.89 0.01 . 1 . . . . . . . . . 5182 1 622 . 1 1 134 134 ALA C C 13 175.31 0.1 . 1 . . . . . . . . . 5182 1 623 . 1 1 134 134 ALA CA C 13 51.23 0.1 . 1 . . . . . . . . . 5182 1 624 . 1 1 134 134 ALA CB C 13 20.63 0.1 . 1 . . . . . . . . . 5182 1 625 . 1 1 134 134 ALA N N 15 130.79 0.1 . 1 . . . . . . . . . 5182 1 626 . 1 1 135 135 TYR H H 1 6.35 0.01 . 1 . . . . . . . . . 5182 1 627 . 1 1 135 135 TYR C C 13 172.92 0.1 . 1 . . . . . . . . . 5182 1 628 . 1 1 135 135 TYR CA C 13 54.25 0.1 . 1 . . . . . . . . . 5182 1 629 . 1 1 135 135 TYR CB C 13 38.61 0.1 . 1 . . . . . . . . . 5182 1 630 . 1 1 135 135 TYR N N 15 112.32 0.1 . 1 . . . . . . . . . 5182 1 631 . 1 1 136 136 GLY H H 1 6.67 0.01 . 1 . . . . . . . . . 5182 1 632 . 1 1 136 136 GLY C C 13 171.13 0.1 . 1 . . . . . . . . . 5182 1 633 . 1 1 136 136 GLY CA C 13 44.56 0.1 . 1 . . . . . . . . . 5182 1 634 . 1 1 136 136 GLY N N 15 101.37 0.1 . 1 . . . . . . . . . 5182 1 635 . 1 1 137 137 THR H H 1 6.34 0.01 . 1 . . . . . . . . . 5182 1 636 . 1 1 137 137 THR CA C 13 60.29 0.1 . 1 . . . . . . . . . 5182 1 637 . 1 1 137 137 THR CB C 13 71.95 0.1 . 1 . . . . . . . . . 5182 1 638 . 1 1 137 137 THR N N 15 105.35 0.1 . 1 . . . . . . . . . 5182 1 639 . 1 1 138 138 LEU C C 13 180.19 0.1 . 1 . . . . . . . . . 5182 1 640 . 1 1 138 138 LEU CA C 13 55.65 0.1 . 1 . . . . . . . . . 5182 1 641 . 1 1 138 138 LEU CB C 13 41.65 0.1 . 1 . . . . . . . . . 5182 1 642 . 1 1 139 139 ASP H H 1 9.48 0.01 . 1 . . . . . . . . . 5182 1 643 . 1 1 139 139 ASP C C 13 177.25 0.1 . 1 . . . . . . . . . 5182 1 644 . 1 1 139 139 ASP CA C 13 55.17 0.1 . 1 . . . . . . . . . 5182 1 645 . 1 1 139 139 ASP CB C 13 41.40 0.1 . 1 . . . . . . . . . 5182 1 646 . 1 1 139 139 ASP N N 15 128.60 0.1 . 1 . . . . . . . . . 5182 1 647 . 1 1 140 140 SER H H 1 7.79 0.01 . 1 . . . . . . . . . 5182 1 648 . 1 1 140 140 SER C C 13 172.40 0.1 . 1 . . . . . . . . . 5182 1 649 . 1 1 140 140 SER CA C 13 58.87 0.1 . 1 . . . . . . . . . 5182 1 650 . 1 1 140 140 SER CB C 13 60.88 0.1 . 1 . . . . . . . . . 5182 1 651 . 1 1 140 140 SER N N 15 111.94 0.1 . 1 . . . . . . . . . 5182 1 652 . 1 1 141 141 GLY H H 1 6.88 0.01 . 1 . . . . . . . . . 5182 1 653 . 1 1 141 141 GLY C C 13 175.06 0.1 . 1 . . . . . . . . . 5182 1 654 . 1 1 141 141 GLY CA C 13 43.99 0.1 . 1 . . . . . . . . . 5182 1 655 . 1 1 141 141 GLY N N 15 104.90 0.1 . 1 . . . . . . . . . 5182 1 656 . 1 1 142 142 SER H H 1 9.38 0.01 . 1 . . . . . . . . . 5182 1 657 . 1 1 142 142 SER C C 13 178.58 0.1 . 1 . . . . . . . . . 5182 1 658 . 1 1 142 142 SER CA C 13 60.84 0.1 . 1 . . . . . . . . . 5182 1 659 . 1 1 142 142 SER CB C 13 63.29 0.1 . 1 . . . . . . . . . 5182 1 660 . 1 1 142 142 SER N N 15 117.06 0.1 . 1 . . . . . . . . . 5182 1 661 . 1 1 143 143 THR H H 1 9.04 0.01 . 1 . . . . . . . . . 5182 1 662 . 1 1 143 143 THR C C 13 176.11 0.1 . 1 . . . . . . . . . 5182 1 663 . 1 1 143 143 THR CA C 13 67.78 0.1 . 1 . . . . . . . . . 5182 1 664 . 1 1 143 143 THR CB C 13 65.57 0.1 . 1 . . . . . . . . . 5182 1 665 . 1 1 143 143 THR N N 15 129.69 0.1 . 1 . . . . . . . . . 5182 1 666 . 1 1 144 144 LYS H H 1 9.61 0.01 . 1 . . . . . . . . . 5182 1 667 . 1 1 144 144 LYS C C 13 178.44 0.1 . 1 . . . . . . . . . 5182 1 668 . 1 1 144 144 LYS CA C 13 60.96 0.1 . 1 . . . . . . . . . 5182 1 669 . 1 1 144 144 LYS CB C 13 31.95 0.1 . 1 . . . . . . . . . 5182 1 670 . 1 1 144 144 LYS N N 15 125.19 0.1 . 1 . . . . . . . . . 5182 1 671 . 1 1 145 145 GLU H H 1 7.01 0.01 . 1 . . . . . . . . . 5182 1 672 . 1 1 145 145 GLU C C 13 177.92 0.1 . 1 . . . . . . . . . 5182 1 673 . 1 1 145 145 GLU CA C 13 57.90 0.1 . 1 . . . . . . . . . 5182 1 674 . 1 1 145 145 GLU CB C 13 29.40 0.1 . 1 . . . . . . . . . 5182 1 675 . 1 1 145 145 GLU N N 15 114.66 0.1 . 1 . . . . . . . . . 5182 1 676 . 1 1 146 146 PHE H H 1 7.95 0.01 . 1 . . . . . . . . . 5182 1 677 . 1 1 146 146 PHE C C 13 177.92 0.1 . 1 . . . . . . . . . 5182 1 678 . 1 1 146 146 PHE CA C 13 60.64 0.1 . 1 . . . . . . . . . 5182 1 679 . 1 1 146 146 PHE CB C 13 37.95 0.1 . 1 . . . . . . . . . 5182 1 680 . 1 1 146 146 PHE N N 15 120.84 0.1 . 1 . . . . . . . . . 5182 1 681 . 1 1 147 147 PHE H H 1 7.31 0.01 . 1 . . . . . . . . . 5182 1 682 . 1 1 147 147 PHE C C 13 175.74 0.1 . 1 . . . . . . . . . 5182 1 683 . 1 1 147 147 PHE CA C 13 63.10 0.1 . 1 . . . . . . . . . 5182 1 684 . 1 1 147 147 PHE CB C 13 39.59 0.1 . 1 . . . . . . . . . 5182 1 685 . 1 1 147 147 PHE N N 15 117.03 0.1 . 1 . . . . . . . . . 5182 1 686 . 1 1 148 148 ARG H H 1 7.42 0.01 . 1 . . . . . . . . . 5182 1 687 . 1 1 148 148 ARG C C 13 177.03 0.1 . 1 . . . . . . . . . 5182 1 688 . 1 1 148 148 ARG CA C 13 57.66 0.1 . 1 . . . . . . . . . 5182 1 689 . 1 1 148 148 ARG CB C 13 29.23 0.1 . 1 . . . . . . . . . 5182 1 690 . 1 1 148 148 ARG N N 15 119.66 0.1 . 1 . . . . . . . . . 5182 1 691 . 1 1 149 149 ARG H H 1 7.04 0.01 . 1 . . . . . . . . . 5182 1 692 . 1 1 149 149 ARG C C 13 177.10 0.1 . 1 . . . . . . . . . 5182 1 693 . 1 1 149 149 ARG CA C 13 54.87 0.1 . 1 . . . . . . . . . 5182 1 694 . 1 1 149 149 ARG CB C 13 29.95 0.1 . 1 . . . . . . . . . 5182 1 695 . 1 1 149 149 ARG N N 15 112.36 0.1 . 1 . . . . . . . . . 5182 1 696 . 1 1 150 150 SER H H 1 6.86 0.01 . 1 . . . . . . . . . 5182 1 697 . 1 1 150 150 SER C C 13 176.45 0.1 . 1 . . . . . . . . . 5182 1 698 . 1 1 150 150 SER CA C 13 60.24 0.1 . 1 . . . . . . . . . 5182 1 699 . 1 1 150 150 SER CB C 13 62.89 0.1 . 1 . . . . . . . . . 5182 1 700 . 1 1 150 150 SER N N 15 115.22 0.1 . 1 . . . . . . . . . 5182 1 701 . 1 1 151 151 LYS H H 1 8.75 0.01 . 1 . . . . . . . . . 5182 1 702 . 1 1 151 151 LYS C C 13 176.95 0.1 . 1 . . . . . . . . . 5182 1 703 . 1 1 151 151 LYS CA C 13 54.80 0.1 . 1 . . . . . . . . . 5182 1 704 . 1 1 151 151 LYS CB C 13 31.39 0.1 . 1 . . . . . . . . . 5182 1 705 . 1 1 151 151 LYS N N 15 125.68 0.1 . 1 . . . . . . . . . 5182 1 706 . 1 1 152 152 ILE H H 1 8.05 0.01 . 1 . . . . . . . . . 5182 1 707 . 1 1 152 152 ILE C C 13 177.51 0.1 . 1 . . . . . . . . . 5182 1 708 . 1 1 152 152 ILE CA C 13 60.38 0.1 . 1 . . . . . . . . . 5182 1 709 . 1 1 152 152 ILE CB C 13 36.73 0.1 . 1 . . . . . . . . . 5182 1 710 . 1 1 152 152 ILE N N 15 125.37 0.1 . 1 . . . . . . . . . 5182 1 711 . 1 1 153 153 ALA H H 1 8.63 0.01 . 1 . . . . . . . . . 5182 1 712 . 1 1 153 153 ALA C C 13 180.33 0.1 . 1 . . . . . . . . . 5182 1 713 . 1 1 153 153 ALA CA C 13 56.38 0.1 . 1 . . . . . . . . . 5182 1 714 . 1 1 153 153 ALA CB C 13 17.61 0.1 . 1 . . . . . . . . . 5182 1 715 . 1 1 153 153 ALA N N 15 132.59 0.1 . 1 . . . . . . . . . 5182 1 716 . 1 1 154 154 VAL H H 1 8.02 0.01 . 1 . . . . . . . . . 5182 1 717 . 1 1 154 154 VAL C C 13 176.58 0.1 . 1 . . . . . . . . . 5182 1 718 . 1 1 154 154 VAL CA C 13 65.83 0.1 . 1 . . . . . . . . . 5182 1 719 . 1 1 154 154 VAL CB C 13 30.83 0.1 . 1 . . . . . . . . . 5182 1 720 . 1 1 154 154 VAL N N 15 117.14 0.1 . 1 . . . . . . . . . 5182 1 721 . 1 1 155 155 PHE H H 1 6.25 0.01 . 1 . . . . . . . . . 5182 1 722 . 1 1 155 155 PHE C C 13 178.14 0.1 . 1 . . . . . . . . . 5182 1 723 . 1 1 155 155 PHE CA C 13 57.40 0.1 . 1 . . . . . . . . . 5182 1 724 . 1 1 155 155 PHE CB C 13 35.28 0.1 . 1 . . . . . . . . . 5182 1 725 . 1 1 155 155 PHE N N 15 120.60 0.1 . 1 . . . . . . . . . 5182 1 726 . 1 1 156 156 ASP H H 1 8.76 0.01 . 1 . . . . . . . . . 5182 1 727 . 1 1 156 156 ASP C C 13 179.44 0.1 . 1 . . . . . . . . . 5182 1 728 . 1 1 156 156 ASP CA C 13 56.75 0.1 . 1 . . . . . . . . . 5182 1 729 . 1 1 156 156 ASP CB C 13 40.83 0.1 . 1 . . . . . . . . . 5182 1 730 . 1 1 156 156 ASP N N 15 122.89 0.1 . 1 . . . . . . . . . 5182 1 731 . 1 1 157 157 LYS H H 1 8.41 0.01 . 1 . . . . . . . . . 5182 1 732 . 1 1 157 157 LYS C C 13 180.20 0.1 . 1 . . . . . . . . . 5182 1 733 . 1 1 157 157 LYS CA C 13 59.66 0.1 . 1 . . . . . . . . . 5182 1 734 . 1 1 157 157 LYS CB C 13 31.53 0.1 . 1 . . . . . . . . . 5182 1 735 . 1 1 157 157 LYS N N 15 123.17 0.1 . 1 . . . . . . . . . 5182 1 736 . 1 1 158 158 MET H H 1 8.06 0.01 . 1 . . . . . . . . . 5182 1 737 . 1 1 158 158 MET C C 13 178.45 0.1 . 1 . . . . . . . . . 5182 1 738 . 1 1 158 158 MET CA C 13 58.55 0.1 . 1 . . . . . . . . . 5182 1 739 . 1 1 158 158 MET CB C 13 33.74 0.1 . 1 . . . . . . . . . 5182 1 740 . 1 1 158 158 MET N N 15 119.72 0.1 . 1 . . . . . . . . . 5182 1 741 . 1 1 159 159 TRP H H 1 9.25 0.01 . 1 . . . . . . . . . 5182 1 742 . 1 1 159 159 TRP C C 13 176.57 0.1 . 1 . . . . . . . . . 5182 1 743 . 1 1 159 159 TRP CA C 13 59.50 0.1 . 1 . . . . . . . . . 5182 1 744 . 1 1 159 159 TRP CB C 13 30.15 0.1 . 1 . . . . . . . . . 5182 1 745 . 1 1 159 159 TRP N N 15 122.73 0.1 . 1 . . . . . . . . . 5182 1 746 . 1 1 160 160 THR H H 1 8.62 0.01 . 1 . . . . . . . . . 5182 1 747 . 1 1 160 160 THR C C 13 176.64 0.1 . 1 . . . . . . . . . 5182 1 748 . 1 1 160 160 THR CA C 13 66.78 0.1 . 1 . . . . . . . . . 5182 1 749 . 1 1 160 160 THR CB C 13 68.24 0.1 . 1 . . . . . . . . . 5182 1 750 . 1 1 160 160 THR N N 15 114.55 0.1 . 1 . . . . . . . . . 5182 1 751 . 1 1 161 161 TYR H H 1 7.62 0.01 . 1 . . . . . . . . . 5182 1 752 . 1 1 161 161 TYR C C 13 177.36 0.1 . 1 . . . . . . . . . 5182 1 753 . 1 1 161 161 TYR CA C 13 60.67 0.1 . 1 . . . . . . . . . 5182 1 754 . 1 1 161 161 TYR CB C 13 36.98 0.1 . 1 . . . . . . . . . 5182 1 755 . 1 1 161 161 TYR N N 15 122.02 0.1 . 1 . . . . . . . . . 5182 1 756 . 1 1 162 162 MET H H 1 8.54 0.01 . 1 . . . . . . . . . 5182 1 757 . 1 1 162 162 MET C C 13 177.77 0.1 . 1 . . . . . . . . . 5182 1 758 . 1 1 162 162 MET CA C 13 59.52 0.1 . 1 . . . . . . . . . 5182 1 759 . 1 1 162 162 MET CB C 13 33.68 0.1 . 1 . . . . . . . . . 5182 1 760 . 1 1 162 162 MET N N 15 120.70 0.1 . 1 . . . . . . . . . 5182 1 761 . 1 1 163 163 ARG H H 1 8.29 0.01 . 1 . . . . . . . . . 5182 1 762 . 1 1 163 163 ARG C C 13 177.01 0.1 . 1 . . . . . . . . . 5182 1 763 . 1 1 163 163 ARG CA C 13 57.72 0.1 . 1 . . . . . . . . . 5182 1 764 . 1 1 163 163 ARG CB C 13 27.85 0.1 . 1 . . . . . . . . . 5182 1 765 . 1 1 163 163 ARG N N 15 114.77 0.1 . 1 . . . . . . . . . 5182 1 766 . 1 1 164 164 SER H H 1 6.68 0.01 . 1 . . . . . . . . . 5182 1 767 . 1 1 164 164 SER C C 13 173.91 0.1 . 1 . . . . . . . . . 5182 1 768 . 1 1 164 164 SER CA C 13 57.60 0.1 . 1 . . . . . . . . . 5182 1 769 . 1 1 164 164 SER CB C 13 64.39 0.1 . 1 . . . . . . . . . 5182 1 770 . 1 1 164 164 SER N N 15 112.20 0.1 . 1 . . . . . . . . . 5182 1 771 . 1 1 165 165 ALA H H 1 6.78 0.01 . 1 . . . . . . . . . 5182 1 772 . 1 1 165 165 ALA C C 13 176.77 0.1 . 1 . . . . . . . . . 5182 1 773 . 1 1 165 165 ALA CA C 13 53.34 0.1 . 1 . . . . . . . . . 5182 1 774 . 1 1 165 165 ALA CB C 13 18.23 0.1 . 1 . . . . . . . . . 5182 1 775 . 1 1 165 165 ALA N N 15 127.20 0.1 . 1 . . . . . . . . . 5182 1 776 . 1 1 166 166 GLU H H 1 8.06 0.01 . 1 . . . . . . . . . 5182 1 777 . 1 1 166 166 GLU C C 13 174.90 0.1 . 1 . . . . . . . . . 5182 1 778 . 1 1 166 166 GLU CA C 13 53.03 0.1 . 1 . . . . . . . . . 5182 1 779 . 1 1 166 166 GLU CB C 13 32.03 0.1 . 1 . . . . . . . . . 5182 1 780 . 1 1 166 166 GLU N N 15 122.72 0.1 . 1 . . . . . . . . . 5182 1 781 . 1 1 169 169 VAL C C 13 175.02 0.1 . 1 . . . . . . . . . 5182 1 782 . 1 1 169 169 VAL CA C 13 61.63 0.1 . 1 . . . . . . . . . 5182 1 783 . 1 1 169 169 VAL CB C 13 31.26 0.1 . 1 . . . . . . . . . 5182 1 784 . 1 1 170 170 PHE H H 1 7.82 0.01 . 1 . . . . . . . . . 5182 1 785 . 1 1 170 170 PHE C C 13 176.12 0.1 . 1 . . . . . . . . . 5182 1 786 . 1 1 170 170 PHE CA C 13 57.49 0.1 . 1 . . . . . . . . . 5182 1 787 . 1 1 170 170 PHE CB C 13 39.53 0.1 . 1 . . . . . . . . . 5182 1 788 . 1 1 170 170 PHE N N 15 122.31 0.1 . 1 . . . . . . . . . 5182 1 789 . 1 1 171 171 VAL H H 1 7.97 0.01 . 1 . . . . . . . . . 5182 1 790 . 1 1 171 171 VAL C C 13 175.98 0.1 . 1 . . . . . . . . . 5182 1 791 . 1 1 171 171 VAL CA C 13 58.96 0.1 . 1 . . . . . . . . . 5182 1 792 . 1 1 171 171 VAL CB C 13 34.42 0.1 . 1 . . . . . . . . . 5182 1 793 . 1 1 171 171 VAL N N 15 112.87 0.1 . 1 . . . . . . . . . 5182 1 794 . 1 1 172 172 ARG H H 1 8.77 0.01 . 1 . . . . . . . . . 5182 1 795 . 1 1 172 172 ARG C C 13 177.95 0.1 . 1 . . . . . . . . . 5182 1 796 . 1 1 172 172 ARG CA C 13 57.96 0.1 . 1 . . . . . . . . . 5182 1 797 . 1 1 172 172 ARG CB C 13 31.08 0.1 . 1 . . . . . . . . . 5182 1 798 . 1 1 172 172 ARG N N 15 119.63 0.1 . 1 . . . . . . . . . 5182 1 799 . 1 1 173 173 THR H H 1 7.18 0.01 . 1 . . . . . . . . . 5182 1 800 . 1 1 173 173 THR C C 13 174.22 0.1 . 1 . . . . . . . . . 5182 1 801 . 1 1 173 173 THR CA C 13 59.03 0.1 . 1 . . . . . . . . . 5182 1 802 . 1 1 173 173 THR CB C 13 73.18 0.1 . 1 . . . . . . . . . 5182 1 803 . 1 1 173 173 THR N N 15 106.99 0.1 . 1 . . . . . . . . . 5182 1 804 . 1 1 174 174 THR H H 1 9.22 0.01 . 1 . . . . . . . . . 5182 1 805 . 1 1 174 174 THR C C 13 176.91 0.1 . 1 . . . . . . . . . 5182 1 806 . 1 1 174 174 THR CA C 13 65.63 0.1 . 1 . . . . . . . . . 5182 1 807 . 1 1 174 174 THR CB C 13 67.72 0.1 . 1 . . . . . . . . . 5182 1 808 . 1 1 174 174 THR N N 15 122.53 0.1 . 1 . . . . . . . . . 5182 1 809 . 1 1 175 175 ALA H H 1 8.62 0.01 . 1 . . . . . . . . . 5182 1 810 . 1 1 175 175 ALA C C 13 180.76 0.1 . 1 . . . . . . . . . 5182 1 811 . 1 1 175 175 ALA CA C 13 54.97 0.1 . 1 . . . . . . . . . 5182 1 812 . 1 1 175 175 ALA CB C 13 17.43 0.1 . 1 . . . . . . . . . 5182 1 813 . 1 1 175 175 ALA N N 15 121.94 0.1 . 1 . . . . . . . . . 5182 1 814 . 1 1 176 176 GLU H H 1 7.93 0.01 . 1 . . . . . . . . . 5182 1 815 . 1 1 176 176 GLU C C 13 179.60 0.1 . 1 . . . . . . . . . 5182 1 816 . 1 1 176 176 GLU CA C 13 58.87 0.1 . 1 . . . . . . . . . 5182 1 817 . 1 1 176 176 GLU CB C 13 29.62 0.1 . 1 . . . . . . . . . 5182 1 818 . 1 1 176 176 GLU N N 15 120.84 0.1 . 1 . . . . . . . . . 5182 1 819 . 1 1 177 177 GLY H H 1 7.74 0.01 . 1 . . . . . . . . . 5182 1 820 . 1 1 177 177 GLY C C 13 174.51 0.1 . 1 . . . . . . . . . 5182 1 821 . 1 1 177 177 GLY CA C 13 47.15 0.1 . 1 . . . . . . . . . 5182 1 822 . 1 1 177 177 GLY N N 15 110.72 0.1 . 1 . . . . . . . . . 5182 1 823 . 1 1 178 178 VAL H H 1 8.21 0.01 . 1 . . . . . . . . . 5182 1 824 . 1 1 178 178 VAL C C 13 178.33 0.1 . 1 . . . . . . . . . 5182 1 825 . 1 1 178 178 VAL CA C 13 65.71 0.1 . 1 . . . . . . . . . 5182 1 826 . 1 1 178 178 VAL CB C 13 31.33 0.1 . 1 . . . . . . . . . 5182 1 827 . 1 1 178 178 VAL N N 15 121.77 0.1 . 1 . . . . . . . . . 5182 1 828 . 1 1 179 179 ALA H H 1 8.08 0.01 . 1 . . . . . . . . . 5182 1 829 . 1 1 179 179 ALA C C 13 179.90 0.1 . 1 . . . . . . . . . 5182 1 830 . 1 1 179 179 ALA CA C 13 54.74 0.1 . 1 . . . . . . . . . 5182 1 831 . 1 1 179 179 ALA CB C 13 17.26 0.1 . 1 . . . . . . . . . 5182 1 832 . 1 1 179 179 ALA N N 15 121.71 0.1 . 1 . . . . . . . . . 5182 1 833 . 1 1 180 180 ARG H H 1 7.78 0.01 . 1 . . . . . . . . . 5182 1 834 . 1 1 180 180 ARG C C 13 180.23 0.1 . 1 . . . . . . . . . 5182 1 835 . 1 1 180 180 ARG CA C 13 59.49 0.1 . 1 . . . . . . . . . 5182 1 836 . 1 1 180 180 ARG CB C 13 29.15 0.1 . 1 . . . . . . . . . 5182 1 837 . 1 1 180 180 ARG N N 15 120.21 0.1 . 1 . . . . . . . . . 5182 1 838 . 1 1 181 181 VAL H H 1 8.15 0.01 . 1 . . . . . . . . . 5182 1 839 . 1 1 181 181 VAL C C 13 179.60 0.1 . 1 . . . . . . . . . 5182 1 840 . 1 1 181 181 VAL CA C 13 66.31 0.1 . 1 . . . . . . . . . 5182 1 841 . 1 1 181 181 VAL CB C 13 31.49 0.1 . 1 . . . . . . . . . 5182 1 842 . 1 1 181 181 VAL N N 15 123.25 0.1 . 1 . . . . . . . . . 5182 1 843 . 1 1 182 182 ARG H H 1 8.13 0.01 . 1 . . . . . . . . . 5182 1 844 . 1 1 182 182 ARG C C 13 179.71 0.1 . 1 . . . . . . . . . 5182 1 845 . 1 1 182 182 ARG CA C 13 60.51 0.1 . 1 . . . . . . . . . 5182 1 846 . 1 1 182 182 ARG CB C 13 29.66 0.1 . 1 . . . . . . . . . 5182 1 847 . 1 1 182 182 ARG N N 15 118.37 0.1 . 1 . . . . . . . . . 5182 1 848 . 1 1 183 183 LYS H H 1 8.58 0.01 . 1 . . . . . . . . . 5182 1 849 . 1 1 183 183 LYS C C 13 178.14 0.1 . 1 . . . . . . . . . 5182 1 850 . 1 1 183 183 LYS CA C 13 57.41 0.1 . 1 . . . . . . . . . 5182 1 851 . 1 1 183 183 LYS CB C 13 32.15 0.1 . 1 . . . . . . . . . 5182 1 852 . 1 1 183 183 LYS N N 15 119.15 0.1 . 1 . . . . . . . . . 5182 1 853 . 1 1 184 184 SER H H 1 7.48 0.01 . 1 . . . . . . . . . 5182 1 854 . 1 1 184 184 SER C C 13 176.36 0.1 . 1 . . . . . . . . . 5182 1 855 . 1 1 184 184 SER CA C 13 59.55 0.1 . 1 . . . . . . . . . 5182 1 856 . 1 1 184 184 SER CB C 13 63.55 0.1 . 1 . . . . . . . . . 5182 1 857 . 1 1 184 184 SER N N 15 112.92 0.1 . 1 . . . . . . . . . 5182 1 858 . 1 1 185 185 LYS H H 1 8.53 0.01 . 1 . . . . . . . . . 5182 1 859 . 1 1 185 185 LYS C C 13 175.68 0.1 . 1 . . . . . . . . . 5182 1 860 . 1 1 185 185 LYS CA C 13 57.57 0.1 . 1 . . . . . . . . . 5182 1 861 . 1 1 185 185 LYS CB C 13 29.23 0.1 . 1 . . . . . . . . . 5182 1 862 . 1 1 185 185 LYS N N 15 119.82 0.1 . 1 . . . . . . . . . 5182 1 863 . 1 1 186 186 GLY H H 1 8.13 0.01 . 1 . . . . . . . . . 5182 1 864 . 1 1 186 186 GLY C C 13 175.11 0.1 . 1 . . . . . . . . . 5182 1 865 . 1 1 186 186 GLY CA C 13 45.28 0.1 . 1 . . . . . . . . . 5182 1 866 . 1 1 186 186 GLY N N 15 105.15 0.1 . 1 . . . . . . . . . 5182 1 867 . 1 1 187 187 LYS H H 1 7.32 0.01 . 1 . . . . . . . . . 5182 1 868 . 1 1 187 187 LYS C C 13 175.18 0.1 . 1 . . . . . . . . . 5182 1 869 . 1 1 187 187 LYS CA C 13 55.38 0.1 . 1 . . . . . . . . . 5182 1 870 . 1 1 187 187 LYS CB C 13 30.43 0.1 . 1 . . . . . . . . . 5182 1 871 . 1 1 187 187 LYS N N 15 116.15 0.1 . 1 . . . . . . . . . 5182 1 872 . 1 1 188 188 TYR H H 1 7.63 0.01 . 1 . . . . . . . . . 5182 1 873 . 1 1 188 188 TYR C C 13 173.28 0.1 . 1 . . . . . . . . . 5182 1 874 . 1 1 188 188 TYR CA C 13 57.32 0.1 . 1 . . . . . . . . . 5182 1 875 . 1 1 188 188 TYR CB C 13 41.64 0.1 . 1 . . . . . . . . . 5182 1 876 . 1 1 188 188 TYR N N 15 122.55 0.1 . 1 . . . . . . . . . 5182 1 877 . 1 1 189 189 ALA H H 1 8.71 0.01 . 1 . . . . . . . . . 5182 1 878 . 1 1 189 189 ALA C C 13 172.70 0.1 . 1 . . . . . . . . . 5182 1 879 . 1 1 189 189 ALA CA C 13 50.02 0.1 . 1 . . . . . . . . . 5182 1 880 . 1 1 189 189 ALA CB C 13 20.95 0.1 . 1 . . . . . . . . . 5182 1 881 . 1 1 189 189 ALA N N 15 134.25 0.1 . 1 . . . . . . . . . 5182 1 882 . 1 1 190 190 TYR H H 1 8.27 0.01 . 1 . . . . . . . . . 5182 1 883 . 1 1 190 190 TYR C C 13 173.40 0.1 . 1 . . . . . . . . . 5182 1 884 . 1 1 190 190 TYR CA C 13 54.49 0.1 . 1 . . . . . . . . . 5182 1 885 . 1 1 190 190 TYR CB C 13 42.85 0.1 . 1 . . . . . . . . . 5182 1 886 . 1 1 190 190 TYR N N 15 120.43 0.1 . 1 . . . . . . . . . 5182 1 887 . 1 1 191 191 LEU H H 1 8.05 0.01 . 1 . . . . . . . . . 5182 1 888 . 1 1 191 191 LEU C C 13 173.87 0.1 . 1 . . . . . . . . . 5182 1 889 . 1 1 191 191 LEU CA C 13 53.11 0.1 . 1 . . . . . . . . . 5182 1 890 . 1 1 191 191 LEU CB C 13 40.31 0.1 . 1 . . . . . . . . . 5182 1 891 . 1 1 191 191 LEU N N 15 129.96 0.1 . 1 . . . . . . . . . 5182 1 892 . 1 1 192 192 LEU H H 1 8.40 0.01 . 1 . . . . . . . . . 5182 1 893 . 1 1 192 192 LEU C C 13 176.01 0.1 . 1 . . . . . . . . . 5182 1 894 . 1 1 192 192 LEU CA C 13 53.89 0.1 . 1 . . . . . . . . . 5182 1 895 . 1 1 192 192 LEU CB C 13 41.14 0.1 . 1 . . . . . . . . . 5182 1 896 . 1 1 192 192 LEU N N 15 122.00 0.1 . 1 . . . . . . . . . 5182 1 897 . 1 1 193 193 GLU H H 1 9.91 0.01 . 1 . . . . . . . . . 5182 1 898 . 1 1 193 193 GLU C C 13 179.29 0.1 . 1 . . . . . . . . . 5182 1 899 . 1 1 193 193 GLU CA C 13 57.19 0.1 . 1 . . . . . . . . . 5182 1 900 . 1 1 193 193 GLU CB C 13 28.64 0.1 . 1 . . . . . . . . . 5182 1 901 . 1 1 193 193 GLU N N 15 124.94 0.1 . 1 . . . . . . . . . 5182 1 902 . 1 1 194 194 SER H H 1 9.77 0.01 . 1 . . . . . . . . . 5182 1 903 . 1 1 194 194 SER C C 13 174.97 0.1 . 1 . . . . . . . . . 5182 1 904 . 1 1 194 194 SER CA C 13 62.18 0.1 . 1 . . . . . . . . . 5182 1 905 . 1 1 194 194 SER CB C 13 61.23 0.1 . 1 . . . . . . . . . 5182 1 906 . 1 1 194 194 SER N N 15 120.83 0.1 . 1 . . . . . . . . . 5182 1 907 . 1 1 195 195 THR H H 1 7.32 0.01 . 1 . . . . . . . . . 5182 1 908 . 1 1 195 195 THR C C 13 177.93 0.1 . 1 . . . . . . . . . 5182 1 909 . 1 1 195 195 THR CA C 13 62.38 0.1 . 1 . . . . . . . . . 5182 1 910 . 1 1 195 195 THR CB C 13 67.04 0.1 . 1 . . . . . . . . . 5182 1 911 . 1 1 195 195 THR N N 15 112.08 0.1 . 1 . . . . . . . . . 5182 1 912 . 1 1 196 196 MET H H 1 7.25 0.01 . 1 . . . . . . . . . 5182 1 913 . 1 1 196 196 MET C C 13 177.42 0.1 . 1 . . . . . . . . . 5182 1 914 . 1 1 196 196 MET CA C 13 60.08 0.1 . 1 . . . . . . . . . 5182 1 915 . 1 1 196 196 MET CB C 13 32.32 0.1 . 1 . . . . . . . . . 5182 1 916 . 1 1 196 196 MET N N 15 122.62 0.1 . 1 . . . . . . . . . 5182 1 917 . 1 1 197 197 ASN H H 1 8.17 0.01 . 1 . . . . . . . . . 5182 1 918 . 1 1 197 197 ASN C C 13 177.04 0.1 . 1 . . . . . . . . . 5182 1 919 . 1 1 197 197 ASN CA C 13 55.87 0.1 . 1 . . . . . . . . . 5182 1 920 . 1 1 197 197 ASN CB C 13 39.42 0.1 . 1 . . . . . . . . . 5182 1 921 . 1 1 197 197 ASN N N 15 119.03 0.1 . 1 . . . . . . . . . 5182 1 922 . 1 1 198 198 GLU H H 1 8.96 0.01 . 1 . . . . . . . . . 5182 1 923 . 1 1 198 198 GLU C C 13 178.65 0.1 . 1 . . . . . . . . . 5182 1 924 . 1 1 198 198 GLU CA C 13 58.70 0.1 . 1 . . . . . . . . . 5182 1 925 . 1 1 198 198 GLU CB C 13 29.30 0.1 . 1 . . . . . . . . . 5182 1 926 . 1 1 198 198 GLU N N 15 116.41 0.1 . 1 . . . . . . . . . 5182 1 927 . 1 1 199 199 TYR H H 1 7.25 0.01 . 1 . . . . . . . . . 5182 1 928 . 1 1 199 199 TYR C C 13 177.10 0.1 . 1 . . . . . . . . . 5182 1 929 . 1 1 199 199 TYR CA C 13 61.41 0.1 . 1 . . . . . . . . . 5182 1 930 . 1 1 199 199 TYR CB C 13 37.61 0.1 . 1 . . . . . . . . . 5182 1 931 . 1 1 199 199 TYR N N 15 118.14 0.1 . 1 . . . . . . . . . 5182 1 932 . 1 1 200 200 ILE H H 1 7.71 0.01 . 1 . . . . . . . . . 5182 1 933 . 1 1 200 200 ILE C C 13 179.22 0.1 . 1 . . . . . . . . . 5182 1 934 . 1 1 200 200 ILE CA C 13 62.63 0.1 . 1 . . . . . . . . . 5182 1 935 . 1 1 200 200 ILE CB C 13 36.96 0.1 . 1 . . . . . . . . . 5182 1 936 . 1 1 200 200 ILE N N 15 119.63 0.1 . 1 . . . . . . . . . 5182 1 937 . 1 1 201 201 GLU H H 1 8.24 0.01 . 1 . . . . . . . . . 5182 1 938 . 1 1 201 201 GLU C C 13 176.33 0.1 . 1 . . . . . . . . . 5182 1 939 . 1 1 201 201 GLU CA C 13 58.21 0.1 . 1 . . . . . . . . . 5182 1 940 . 1 1 201 201 GLU CB C 13 29.15 0.1 . 1 . . . . . . . . . 5182 1 941 . 1 1 201 201 GLU N N 15 119.72 0.1 . 1 . . . . . . . . . 5182 1 942 . 1 1 202 202 GLN H H 1 6.90 0.01 . 1 . . . . . . . . . 5182 1 943 . 1 1 202 202 GLN C C 13 174.71 0.1 . 1 . . . . . . . . . 5182 1 944 . 1 1 202 202 GLN CA C 13 54.52 0.1 . 1 . . . . . . . . . 5182 1 945 . 1 1 202 202 GLN CB C 13 28.25 0.1 . 1 . . . . . . . . . 5182 1 946 . 1 1 202 202 GLN N N 15 112.62 0.1 . 1 . . . . . . . . . 5182 1 947 . 1 1 203 203 ARG H H 1 7.45 0.01 . 1 . . . . . . . . . 5182 1 948 . 1 1 203 203 ARG C C 13 176.55 0.1 . 1 . . . . . . . . . 5182 1 949 . 1 1 203 203 ARG CA C 13 53.19 0.1 . 1 . . . . . . . . . 5182 1 950 . 1 1 203 203 ARG CB C 13 32.13 0.1 . 1 . . . . . . . . . 5182 1 951 . 1 1 203 203 ARG N N 15 120.56 0.1 . 1 . . . . . . . . . 5182 1 952 . 1 1 204 204 LYS H H 1 9.07 0.01 . 1 . . . . . . . . . 5182 1 953 . 1 1 204 204 LYS C C 13 176.44 0.1 . 1 . . . . . . . . . 5182 1 954 . 1 1 204 204 LYS CA C 13 56.02 0.1 . 1 . . . . . . . . . 5182 1 955 . 1 1 204 204 LYS CB C 13 30.74 0.1 . 1 . . . . . . . . . 5182 1 956 . 1 1 204 204 LYS N N 15 123.66 0.1 . 1 . . . . . . . . . 5182 1 957 . 1 1 206 206 CYS C C 13 175.85 0.1 . 1 . . . . . . . . . 5182 1 958 . 1 1 206 206 CYS CA C 13 56.00 0.1 . 1 . . . . . . . . . 5182 1 959 . 1 1 207 207 ASP H H 1 8.65 0.01 . 1 . . . . . . . . . 5182 1 960 . 1 1 207 207 ASP C C 13 176.40 0.1 . 1 . . . . . . . . . 5182 1 961 . 1 1 207 207 ASP CA C 13 53.08 0.1 . 1 . . . . . . . . . 5182 1 962 . 1 1 207 207 ASP CB C 13 40.86 0.1 . 1 . . . . . . . . . 5182 1 963 . 1 1 207 207 ASP N N 15 117.46 0.1 . 1 . . . . . . . . . 5182 1 964 . 1 1 208 208 THR H H 1 7.77 0.01 . 1 . . . . . . . . . 5182 1 965 . 1 1 208 208 THR C C 13 173.30 0.1 . 1 . . . . . . . . . 5182 1 966 . 1 1 208 208 THR CA C 13 59.79 0.1 . 1 . . . . . . . . . 5182 1 967 . 1 1 208 208 THR CB C 13 72.15 0.1 . 1 . . . . . . . . . 5182 1 968 . 1 1 208 208 THR N N 15 111.59 0.1 . 1 . . . . . . . . . 5182 1 969 . 1 1 209 209 MET H H 1 8.91 0.01 . 1 . . . . . . . . . 5182 1 970 . 1 1 209 209 MET C C 13 173.23 0.1 . 1 . . . . . . . . . 5182 1 971 . 1 1 209 209 MET CA C 13 54.53 0.1 . 1 . . . . . . . . . 5182 1 972 . 1 1 209 209 MET CB C 13 36.46 0.1 . 1 . . . . . . . . . 5182 1 973 . 1 1 209 209 MET N N 15 116.65 0.1 . 1 . . . . . . . . . 5182 1 974 . 1 1 210 210 LYS H H 1 8.15 0.01 . 1 . . . . . . . . . 5182 1 975 . 1 1 210 210 LYS C C 13 176.72 0.1 . 1 . . . . . . . . . 5182 1 976 . 1 1 210 210 LYS CA C 13 54.43 0.1 . 1 . . . . . . . . . 5182 1 977 . 1 1 210 210 LYS CB C 13 32.80 0.1 . 1 . . . . . . . . . 5182 1 978 . 1 1 210 210 LYS N N 15 124.87 0.1 . 1 . . . . . . . . . 5182 1 979 . 1 1 211 211 VAL H H 1 7.91 0.01 . 1 . . . . . . . . . 5182 1 980 . 1 1 211 211 VAL C C 13 175.81 0.1 . 1 . . . . . . . . . 5182 1 981 . 1 1 211 211 VAL CA C 13 59.61 0.1 . 1 . . . . . . . . . 5182 1 982 . 1 1 211 211 VAL CB C 13 33.96 0.1 . 1 . . . . . . . . . 5182 1 983 . 1 1 211 211 VAL N N 15 122.78 0.1 . 1 . . . . . . . . . 5182 1 984 . 1 1 212 212 GLY H H 1 8.55 0.01 . 1 . . . . . . . . . 5182 1 985 . 1 1 212 212 GLY C C 13 174.15 0.1 . 1 . . . . . . . . . 5182 1 986 . 1 1 212 212 GLY CA C 13 44.88 0.1 . 1 . . . . . . . . . 5182 1 987 . 1 1 212 212 GLY N N 15 113.57 0.1 . 1 . . . . . . . . . 5182 1 988 . 1 1 213 213 GLY H H 1 8.06 0.01 . 1 . . . . . . . . . 5182 1 989 . 1 1 213 213 GLY C C 13 174.18 0.1 . 1 . . . . . . . . . 5182 1 990 . 1 1 213 213 GLY CA C 13 43.70 0.1 . 1 . . . . . . . . . 5182 1 991 . 1 1 213 213 GLY N N 15 107.54 0.1 . 1 . . . . . . . . . 5182 1 992 . 1 1 214 214 ASN H H 1 8.52 0.01 . 1 . . . . . . . . . 5182 1 993 . 1 1 214 214 ASN C C 13 177.79 0.1 . 1 . . . . . . . . . 5182 1 994 . 1 1 214 214 ASN CA C 13 51.81 0.1 . 1 . . . . . . . . . 5182 1 995 . 1 1 214 214 ASN CB C 13 37.48 0.1 . 1 . . . . . . . . . 5182 1 996 . 1 1 214 214 ASN N N 15 120.73 0.1 . 1 . . . . . . . . . 5182 1 997 . 1 1 215 215 LEU H H 1 9.28 0.01 . 1 . . . . . . . . . 5182 1 998 . 1 1 215 215 LEU C C 13 175.15 0.1 . 1 . . . . . . . . . 5182 1 999 . 1 1 215 215 LEU CA C 13 56.00 0.1 . 1 . . . . . . . . . 5182 1 1000 . 1 1 215 215 LEU CB C 13 40.74 0.1 . 1 . . . . . . . . . 5182 1 1001 . 1 1 215 215 LEU N N 15 121.98 0.1 . 1 . . . . . . . . . 5182 1 1002 . 1 1 216 216 ASP H H 1 7.38 0.01 . 1 . . . . . . . . . 5182 1 1003 . 1 1 216 216 ASP C C 13 174.23 0.1 . 1 . . . . . . . . . 5182 1 1004 . 1 1 216 216 ASP CA C 13 52.04 0.1 . 1 . . . . . . . . . 5182 1 1005 . 1 1 216 216 ASP CB C 13 40.33 0.1 . 1 . . . . . . . . . 5182 1 1006 . 1 1 216 216 ASP N N 15 117.01 0.1 . 1 . . . . . . . . . 5182 1 1007 . 1 1 217 217 SER H H 1 7.68 0.01 . 1 . . . . . . . . . 5182 1 1008 . 1 1 217 217 SER C C 13 173.12 0.1 . 1 . . . . . . . . . 5182 1 1009 . 1 1 217 217 SER CA C 13 57.31 0.1 . 1 . . . . . . . . . 5182 1 1010 . 1 1 217 217 SER CB C 13 63.44 0.1 . 1 . . . . . . . . . 5182 1 1011 . 1 1 217 217 SER N N 15 111.58 0.1 . 1 . . . . . . . . . 5182 1 1012 . 1 1 218 218 LYS H H 1 8.95 0.01 . 1 . . . . . . . . . 5182 1 1013 . 1 1 218 218 LYS C C 13 173.67 0.1 . 1 . . . . . . . . . 5182 1 1014 . 1 1 218 218 LYS CA C 13 54.92 0.1 . 1 . . . . . . . . . 5182 1 1015 . 1 1 218 218 LYS CB C 13 33.13 0.1 . 1 . . . . . . . . . 5182 1 1016 . 1 1 218 218 LYS N N 15 126.29 0.1 . 1 . . . . . . . . . 5182 1 1017 . 1 1 219 219 GLY H H 1 7.76 0.01 . 1 . . . . . . . . . 5182 1 1018 . 1 1 219 219 GLY C C 13 172.02 0.1 . 1 . . . . . . . . . 5182 1 1019 . 1 1 219 219 GLY CA C 13 44.37 0.1 . 1 . . . . . . . . . 5182 1 1020 . 1 1 219 219 GLY N N 15 106.69 0.1 . 1 . . . . . . . . . 5182 1 1021 . 1 1 220 220 TYR H H 1 7.09 0.01 . 1 . . . . . . . . . 5182 1 1022 . 1 1 220 220 TYR C C 13 172.02 0.1 . 1 . . . . . . . . . 5182 1 1023 . 1 1 220 220 TYR CA C 13 52.67 0.1 . 1 . . . . . . . . . 5182 1 1024 . 1 1 220 220 TYR CB C 13 39.71 0.1 . 1 . . . . . . . . . 5182 1 1025 . 1 1 220 220 TYR N N 15 117.64 0.1 . 1 . . . . . . . . . 5182 1 1026 . 1 1 221 221 GLY H H 1 8.14 0.01 . 1 . . . . . . . . . 5182 1 1027 . 1 1 221 221 GLY C C 13 172.75 0.1 . 1 . . . . . . . . . 5182 1 1028 . 1 1 221 221 GLY CA C 13 43.73 0.1 . 1 . . . . . . . . . 5182 1 1029 . 1 1 221 221 GLY N N 15 105.05 0.1 . 1 . . . . . . . . . 5182 1 1030 . 1 1 222 222 ILE H H 1 8.76 0.01 . 1 . . . . . . . . . 5182 1 1031 . 1 1 222 222 ILE C C 13 172.70 0.1 . 1 . . . . . . . . . 5182 1 1032 . 1 1 222 222 ILE CA C 13 60.67 0.1 . 1 . . . . . . . . . 5182 1 1033 . 1 1 222 222 ILE CB C 13 36.19 0.1 . 1 . . . . . . . . . 5182 1 1034 . 1 1 222 222 ILE N N 15 121.14 0.1 . 1 . . . . . . . . . 5182 1 1035 . 1 1 223 223 ALA H H 1 7.91 0.01 . 1 . . . . . . . . . 5182 1 1036 . 1 1 223 223 ALA C C 13 175.31 0.1 . 1 . . . . . . . . . 5182 1 1037 . 1 1 223 223 ALA CA C 13 49.75 0.1 . 1 . . . . . . . . . 5182 1 1038 . 1 1 223 223 ALA CB C 13 23.61 0.1 . 1 . . . . . . . . . 5182 1 1039 . 1 1 223 223 ALA N N 15 131.02 0.1 . 1 . . . . . . . . . 5182 1 1040 . 1 1 224 224 THR H H 1 8.66 0.01 . 1 . . . . . . . . . 5182 1 1041 . 1 1 224 224 THR C C 13 170.80 0.1 . 1 . . . . . . . . . 5182 1 1042 . 1 1 224 224 THR CA C 13 57.54 0.1 . 1 . . . . . . . . . 5182 1 1043 . 1 1 224 224 THR CB C 13 68.89 0.1 . 1 . . . . . . . . . 5182 1 1044 . 1 1 224 224 THR N N 15 112.11 0.1 . 1 . . . . . . . . . 5182 1 1045 . 1 1 225 225 PRO C C 13 176.90 0.1 . 1 . . . . . . . . . 5182 1 1046 . 1 1 225 225 PRO CA C 13 62.08 0.1 . 1 . . . . . . . . . 5182 1 1047 . 1 1 225 225 PRO CB C 13 30.98 0.1 . 1 . . . . . . . . . 5182 1 1048 . 1 1 226 226 LYS H H 1 8.61 0.01 . 1 . . . . . . . . . 5182 1 1049 . 1 1 226 226 LYS C C 13 179.01 0.1 . 1 . . . . . . . . . 5182 1 1050 . 1 1 226 226 LYS CA C 13 56.86 0.1 . 1 . . . . . . . . . 5182 1 1051 . 1 1 226 226 LYS CB C 13 30.47 0.1 . 1 . . . . . . . . . 5182 1 1052 . 1 1 226 226 LYS N N 15 122.92 0.1 . 1 . . . . . . . . . 5182 1 1053 . 1 1 227 227 GLY H H 1 9.11 0.01 . 1 . . . . . . . . . 5182 1 1054 . 1 1 227 227 GLY C C 13 174.76 0.1 . 1 . . . . . . . . . 5182 1 1055 . 1 1 227 227 GLY CA C 13 44.93 0.1 . 1 . . . . . . . . . 5182 1 1056 . 1 1 227 227 GLY N N 15 114.33 0.1 . 1 . . . . . . . . . 5182 1 1057 . 1 1 228 228 SER H H 1 7.65 0.01 . 1 . . . . . . . . . 5182 1 1058 . 1 1 228 228 SER C C 13 178.21 0.1 . 1 . . . . . . . . . 5182 1 1059 . 1 1 228 228 SER CA C 13 57.76 0.1 . 1 . . . . . . . . . 5182 1 1060 . 1 1 228 228 SER CB C 13 63.44 0.1 . 1 . . . . . . . . . 5182 1 1061 . 1 1 228 228 SER N N 15 114.62 0.1 . 1 . . . . . . . . . 5182 1 1062 . 1 1 229 229 SER H H 1 9.30 0.01 . 1 . . . . . . . . . 5182 1 1063 . 1 1 229 229 SER C C 13 175.86 0.1 . 1 . . . . . . . . . 5182 1 1064 . 1 1 229 229 SER CA C 13 60.43 0.1 . 1 . . . . . . . . . 5182 1 1065 . 1 1 229 229 SER CB C 13 62.35 0.1 . 1 . . . . . . . . . 5182 1 1066 . 1 1 229 229 SER N N 15 126.96 0.1 . 1 . . . . . . . . . 5182 1 1067 . 1 1 230 230 LEU H H 1 8.27 0.01 . 1 . . . . . . . . . 5182 1 1068 . 1 1 230 230 LEU C C 13 177.98 0.1 . 1 . . . . . . . . . 5182 1 1069 . 1 1 230 230 LEU CA C 13 55.82 0.1 . 1 . . . . . . . . . 5182 1 1070 . 1 1 230 230 LEU CB C 13 42.35 0.1 . 1 . . . . . . . . . 5182 1 1071 . 1 1 230 230 LEU N N 15 123.01 0.1 . 1 . . . . . . . . . 5182 1 1072 . 1 1 231 231 GLY H H 1 7.31 0.01 . 1 . . . . . . . . . 5182 1 1073 . 1 1 231 231 GLY C C 13 176.26 0.1 . 1 . . . . . . . . . 5182 1 1074 . 1 1 231 231 GLY CA C 13 47.91 0.1 . 1 . . . . . . . . . 5182 1 1075 . 1 1 231 231 GLY N N 15 104.14 0.1 . 1 . . . . . . . . . 5182 1 1076 . 1 1 232 232 ASN H H 1 8.34 0.01 . 1 . . . . . . . . . 5182 1 1077 . 1 1 232 232 ASN C C 13 177.20 0.1 . 1 . . . . . . . . . 5182 1 1078 . 1 1 232 232 ASN CA C 13 56.63 0.1 . 1 . . . . . . . . . 5182 1 1079 . 1 1 232 232 ASN CB C 13 38.13 0.1 . 1 . . . . . . . . . 5182 1 1080 . 1 1 232 232 ASN N N 15 121.50 0.1 . 1 . . . . . . . . . 5182 1 1081 . 1 1 233 233 ALA H H 1 7.90 0.01 . 1 . . . . . . . . . 5182 1 1082 . 1 1 233 233 ALA C C 13 180.90 0.1 . 1 . . . . . . . . . 5182 1 1083 . 1 1 233 233 ALA CA C 13 54.91 0.1 . 1 . . . . . . . . . 5182 1 1084 . 1 1 233 233 ALA CB C 13 17.74 0.1 . 1 . . . . . . . . . 5182 1 1085 . 1 1 233 233 ALA N N 15 122.73 0.1 . 1 . . . . . . . . . 5182 1 1086 . 1 1 234 234 VAL H H 1 8.35 0.01 . 1 . . . . . . . . . 5182 1 1087 . 1 1 234 234 VAL C C 13 177.36 0.1 . 1 . . . . . . . . . 5182 1 1088 . 1 1 234 234 VAL CA C 13 65.69 0.1 . 1 . . . . . . . . . 5182 1 1089 . 1 1 234 234 VAL CB C 13 30.88 0.1 . 1 . . . . . . . . . 5182 1 1090 . 1 1 234 234 VAL N N 15 117.27 0.1 . 1 . . . . . . . . . 5182 1 1091 . 1 1 235 235 ASN H H 1 7.90 0.01 . 1 . . . . . . . . . 5182 1 1092 . 1 1 235 235 ASN C C 13 177.56 0.1 . 1 . . . . . . . . . 5182 1 1093 . 1 1 235 235 ASN CA C 13 56.92 0.1 . 1 . . . . . . . . . 5182 1 1094 . 1 1 235 235 ASN CB C 13 38.40 0.1 . 1 . . . . . . . . . 5182 1 1095 . 1 1 235 235 ASN N N 15 120.10 0.1 . 1 . . . . . . . . . 5182 1 1096 . 1 1 236 236 LEU H H 1 7.77 0.01 . 1 . . . . . . . . . 5182 1 1097 . 1 1 236 236 LEU C C 13 179.68 0.1 . 1 . . . . . . . . . 5182 1 1098 . 1 1 236 236 LEU CA C 13 57.64 0.1 . 1 . . . . . . . . . 5182 1 1099 . 1 1 236 236 LEU CB C 13 40.51 0.1 . 1 . . . . . . . . . 5182 1 1100 . 1 1 236 236 LEU N N 15 118.48 0.1 . 1 . . . . . . . . . 5182 1 1101 . 1 1 237 237 ALA H H 1 7.79 0.01 . 1 . . . . . . . . . 5182 1 1102 . 1 1 237 237 ALA C C 13 178.82 0.1 . 1 . . . . . . . . . 5182 1 1103 . 1 1 237 237 ALA CA C 13 54.86 0.1 . 1 . . . . . . . . . 5182 1 1104 . 1 1 237 237 ALA CB C 13 18.34 0.1 . 1 . . . . . . . . . 5182 1 1105 . 1 1 237 237 ALA N N 15 121.53 0.1 . 1 . . . . . . . . . 5182 1 1106 . 1 1 238 238 VAL H H 1 8.22 0.01 . 1 . . . . . . . . . 5182 1 1107 . 1 1 238 238 VAL C C 13 177.77 0.1 . 1 . . . . . . . . . 5182 1 1108 . 1 1 238 238 VAL CA C 13 67.78 0.1 . 1 . . . . . . . . . 5182 1 1109 . 1 1 238 238 VAL CB C 13 30.97 0.1 . 1 . . . . . . . . . 5182 1 1110 . 1 1 238 238 VAL N N 15 119.21 0.1 . 1 . . . . . . . . . 5182 1 1111 . 1 1 239 239 LEU H H 1 7.87 0.01 . 1 . . . . . . . . . 5182 1 1112 . 1 1 239 239 LEU C C 13 180.23 0.1 . 1 . . . . . . . . . 5182 1 1113 . 1 1 239 239 LEU CA C 13 58.12 0.1 . 1 . . . . . . . . . 5182 1 1114 . 1 1 239 239 LEU CB C 13 40.78 0.1 . 1 . . . . . . . . . 5182 1 1115 . 1 1 239 239 LEU N N 15 119.80 0.1 . 1 . . . . . . . . . 5182 1 1116 . 1 1 240 240 LYS H H 1 7.93 0.01 . 1 . . . . . . . . . 5182 1 1117 . 1 1 240 240 LYS C C 13 178.97 0.1 . 1 . . . . . . . . . 5182 1 1118 . 1 1 240 240 LYS CA C 13 58.17 0.1 . 1 . . . . . . . . . 5182 1 1119 . 1 1 240 240 LYS CB C 13 30.58 0.1 . 1 . . . . . . . . . 5182 1 1120 . 1 1 240 240 LYS N N 15 121.29 0.1 . 1 . . . . . . . . . 5182 1 1121 . 1 1 241 241 LEU H H 1 8.48 0.01 . 1 . . . . . . . . . 5182 1 1122 . 1 1 241 241 LEU C C 13 180.21 0.1 . 1 . . . . . . . . . 5182 1 1123 . 1 1 241 241 LEU CA C 13 57.58 0.1 . 1 . . . . . . . . . 5182 1 1124 . 1 1 241 241 LEU CB C 13 40.45 0.1 . 1 . . . . . . . . . 5182 1 1125 . 1 1 241 241 LEU N N 15 119.89 0.1 . 1 . . . . . . . . . 5182 1 1126 . 1 1 242 242 ASN H H 1 8.43 0.01 . 1 . . . . . . . . . 5182 1 1127 . 1 1 242 242 ASN C C 13 179.55 0.1 . 1 . . . . . . . . . 5182 1 1128 . 1 1 242 242 ASN CA C 13 56.07 0.1 . 1 . . . . . . . . . 5182 1 1129 . 1 1 242 242 ASN CB C 13 38.83 0.1 . 1 . . . . . . . . . 5182 1 1130 . 1 1 242 242 ASN N N 15 118.42 0.1 . 1 . . . . . . . . . 5182 1 1131 . 1 1 243 243 GLU H H 1 8.33 0.01 . 1 . . . . . . . . . 5182 1 1132 . 1 1 243 243 GLU C C 13 178.47 0.1 . 1 . . . . . . . . . 5182 1 1133 . 1 1 243 243 GLU CA C 13 59.11 0.1 . 1 . . . . . . . . . 5182 1 1134 . 1 1 243 243 GLU CB C 13 29.02 0.1 . 1 . . . . . . . . . 5182 1 1135 . 1 1 243 243 GLU N N 15 122.84 0.1 . 1 . . . . . . . . . 5182 1 1136 . 1 1 244 244 GLN H H 1 8.03 0.01 . 1 . . . . . . . . . 5182 1 1137 . 1 1 244 244 GLN C C 13 176.75 0.1 . 1 . . . . . . . . . 5182 1 1138 . 1 1 244 244 GLN CA C 13 56.06 0.1 . 1 . . . . . . . . . 5182 1 1139 . 1 1 244 244 GLN CB C 13 29.17 0.1 . 1 . . . . . . . . . 5182 1 1140 . 1 1 244 244 GLN N N 15 115.32 0.1 . 1 . . . . . . . . . 5182 1 1141 . 1 1 245 245 GLY H H 1 7.86 0.01 . 1 . . . . . . . . . 5182 1 1142 . 1 1 245 245 GLY C C 13 176.06 0.1 . 1 . . . . . . . . . 5182 1 1143 . 1 1 245 245 GLY CA C 13 45.40 0.1 . 1 . . . . . . . . . 5182 1 1144 . 1 1 245 245 GLY N N 15 108.11 0.1 . 1 . . . . . . . . . 5182 1 1145 . 1 1 246 246 LEU H H 1 7.81 0.01 . 1 . . . . . . . . . 5182 1 1146 . 1 1 246 246 LEU C C 13 179.04 0.1 . 1 . . . . . . . . . 5182 1 1147 . 1 1 246 246 LEU CA C 13 57.18 0.1 . 1 . . . . . . . . . 5182 1 1148 . 1 1 246 246 LEU CB C 13 41.45 0.1 . 1 . . . . . . . . . 5182 1 1149 . 1 1 246 246 LEU N N 15 121.57 0.1 . 1 . . . . . . . . . 5182 1 1150 . 1 1 247 247 LEU H H 1 7.30 0.01 . 1 . . . . . . . . . 5182 1 1151 . 1 1 247 247 LEU C C 13 180.58 0.1 . 1 . . . . . . . . . 5182 1 1152 . 1 1 247 247 LEU CA C 13 58.03 0.1 . 1 . . . . . . . . . 5182 1 1153 . 1 1 247 247 LEU CB C 13 38.18 0.1 . 1 . . . . . . . . . 5182 1 1154 . 1 1 247 247 LEU N N 15 117.17 0.1 . 1 . . . . . . . . . 5182 1 1155 . 1 1 248 248 ASP H H 1 7.79 0.01 . 1 . . . . . . . . . 5182 1 1156 . 1 1 248 248 ASP C C 13 178.42 0.1 . 1 . . . . . . . . . 5182 1 1157 . 1 1 248 248 ASP CA C 13 57.30 0.1 . 1 . . . . . . . . . 5182 1 1158 . 1 1 248 248 ASP CB C 13 40.28 0.1 . 1 . . . . . . . . . 5182 1 1159 . 1 1 248 248 ASP N N 15 121.78 0.1 . 1 . . . . . . . . . 5182 1 1160 . 1 1 249 249 LYS H H 1 7.56 0.01 . 1 . . . . . . . . . 5182 1 1161 . 1 1 249 249 LYS C C 13 180.28 0.1 . 1 . . . . . . . . . 5182 1 1162 . 1 1 249 249 LYS CA C 13 59.72 0.1 . 1 . . . . . . . . . 5182 1 1163 . 1 1 249 249 LYS CB C 13 31.88 0.1 . 1 . . . . . . . . . 5182 1 1164 . 1 1 249 249 LYS N N 15 120.90 0.1 . 1 . . . . . . . . . 5182 1 1165 . 1 1 250 250 LEU H H 1 8.50 0.01 . 1 . . . . . . . . . 5182 1 1166 . 1 1 250 250 LEU C C 13 179.67 0.1 . 1 . . . . . . . . . 5182 1 1167 . 1 1 250 250 LEU CA C 13 57.57 0.1 . 1 . . . . . . . . . 5182 1 1168 . 1 1 250 250 LEU CB C 13 42.46 0.1 . 1 . . . . . . . . . 5182 1 1169 . 1 1 250 250 LEU N N 15 120.52 0.1 . 1 . . . . . . . . . 5182 1 1170 . 1 1 251 251 LYS H H 1 8.16 0.01 . 1 . . . . . . . . . 5182 1 1171 . 1 1 251 251 LYS C C 13 178.80 0.1 . 1 . . . . . . . . . 5182 1 1172 . 1 1 251 251 LYS CA C 13 59.49 0.1 . 1 . . . . . . . . . 5182 1 1173 . 1 1 251 251 LYS CB C 13 30.94 0.1 . 1 . . . . . . . . . 5182 1 1174 . 1 1 251 251 LYS N N 15 122.41 0.1 . 1 . . . . . . . . . 5182 1 1175 . 1 1 252 252 ASN H H 1 8.17 0.01 . 1 . . . . . . . . . 5182 1 1176 . 1 1 252 252 ASN C C 13 177.02 0.1 . 1 . . . . . . . . . 5182 1 1177 . 1 1 252 252 ASN CA C 13 56.51 0.1 . 1 . . . . . . . . . 5182 1 1178 . 1 1 252 252 ASN CB C 13 37.81 0.1 . 1 . . . . . . . . . 5182 1 1179 . 1 1 252 252 ASN N N 15 118.56 0.1 . 1 . . . . . . . . . 5182 1 1180 . 1 1 253 253 LYS H H 1 8.00 0.01 . 1 . . . . . . . . . 5182 1 1181 . 1 1 253 253 LYS C C 13 178.05 0.1 . 1 . . . . . . . . . 5182 1 1182 . 1 1 253 253 LYS CA C 13 58.94 0.1 . 1 . . . . . . . . . 5182 1 1183 . 1 1 253 253 LYS CB C 13 32.70 0.1 . 1 . . . . . . . . . 5182 1 1184 . 1 1 253 253 LYS N N 15 119.71 0.1 . 1 . . . . . . . . . 5182 1 1185 . 1 1 254 254 TRP H H 1 7.69 0.01 . 1 . . . . . . . . . 5182 1 1186 . 1 1 254 254 TRP C C 13 175.70 0.1 . 1 . . . . . . . . . 5182 1 1187 . 1 1 254 254 TRP CA C 13 58.62 0.1 . 1 . . . . . . . . . 5182 1 1188 . 1 1 254 254 TRP CB C 13 30.30 0.1 . 1 . . . . . . . . . 5182 1 1189 . 1 1 254 254 TRP N N 15 116.09 0.1 . 1 . . . . . . . . . 5182 1 1190 . 1 1 255 255 TRP H H 1 8.90 0.01 . 1 . . . . . . . . . 5182 1 1191 . 1 1 255 255 TRP C C 13 177.18 0.1 . 1 . . . . . . . . . 5182 1 1192 . 1 1 255 255 TRP CA C 13 60.78 0.1 . 1 . . . . . . . . . 5182 1 1193 . 1 1 255 255 TRP CB C 13 30.03 0.1 . 1 . . . . . . . . . 5182 1 1194 . 1 1 255 255 TRP N N 15 121.02 0.1 . 1 . . . . . . . . . 5182 1 1195 . 1 1 256 256 TYR H H 1 7.19 0.01 . 1 . . . . . . . . . 5182 1 1196 . 1 1 256 256 TYR C C 13 176.85 0.1 . 1 . . . . . . . . . 5182 1 1197 . 1 1 256 256 TYR CA C 13 58.88 0.1 . 1 . . . . . . . . . 5182 1 1198 . 1 1 256 256 TYR CB C 13 38.33 0.1 . 1 . . . . . . . . . 5182 1 1199 . 1 1 256 256 TYR N N 15 119.19 0.1 . 1 . . . . . . . . . 5182 1 1200 . 1 1 257 257 ASP H H 1 8.50 0.01 . 1 . . . . . . . . . 5182 1 1201 . 1 1 257 257 ASP C C 13 176.40 0.1 . 1 . . . . . . . . . 5182 1 1202 . 1 1 257 257 ASP CA C 13 55.07 0.1 . 1 . . . . . . . . . 5182 1 1203 . 1 1 257 257 ASP CB C 13 40.34 0.1 . 1 . . . . . . . . . 5182 1 1204 . 1 1 257 257 ASP N N 15 123.94 0.1 . 1 . . . . . . . . . 5182 1 1205 . 1 1 258 258 LYS H H 1 8.00 0.01 . 1 . . . . . . . . . 5182 1 1206 . 1 1 258 258 LYS C C 13 176.82 0.1 . 1 . . . . . . . . . 5182 1 1207 . 1 1 258 258 LYS CA C 13 55.34 0.1 . 1 . . . . . . . . . 5182 1 1208 . 1 1 258 258 LYS CB C 13 31.60 0.1 . 1 . . . . . . . . . 5182 1 1209 . 1 1 258 258 LYS N N 15 120.70 0.1 . 1 . . . . . . . . . 5182 1 1210 . 1 1 259 259 GLY H H 1 8.17 0.01 . 1 . . . . . . . . . 5182 1 1211 . 1 1 259 259 GLY C C 13 175.70 0.1 . 1 . . . . . . . . . 5182 1 1212 . 1 1 259 259 GLY CA C 13 46.11 0.1 . 1 . . . . . . . . . 5182 1 1213 . 1 1 259 259 GLY N N 15 109.34 0.1 . 1 . . . . . . . . . 5182 1 1214 . 1 1 260 260 GLU H H 1 8.46 0.01 . 1 . . . . . . . . . 5182 1 1215 . 1 1 260 260 GLU C C 13 177.20 0.1 . 1 . . . . . . . . . 5182 1 1216 . 1 1 260 260 GLU CA C 13 56.84 0.1 . 1 . . . . . . . . . 5182 1 1217 . 1 1 260 260 GLU CB C 13 31.10 0.1 . 1 . . . . . . . . . 5182 1 1218 . 1 1 260 260 GLU N N 15 120.31 0.1 . 1 . . . . . . . . . 5182 1 1219 . 1 1 261 261 CYS H H 1 8.36 0.01 . 1 . . . . . . . . . 5182 1 1220 . 1 1 261 261 CYS C C 13 175.91 0.1 . 1 . . . . . . . . . 5182 1 1221 . 1 1 261 261 CYS CA C 13 53.30 0.1 . 1 . . . . . . . . . 5182 1 1222 . 1 1 261 261 CYS CB C 13 39.14 0.1 . 1 . . . . . . . . . 5182 1 1223 . 1 1 261 261 CYS N N 15 117.64 0.1 . 1 . . . . . . . . . 5182 1 1224 . 1 1 262 262 GLY H H 1 8.26 0.01 . 1 . . . . . . . . . 5182 1 1225 . 1 1 262 262 GLY C C 13 173.40 0.1 . 1 . . . . . . . . . 5182 1 1226 . 1 1 262 262 GLY CA C 13 45.23 0.1 . 1 . . . . . . . . . 5182 1 1227 . 1 1 262 262 GLY N N 15 111.53 0.1 . 1 . . . . . . . . . 5182 1 1228 . 1 1 263 263 SER H H 1 7.89 0.01 . 1 . . . . . . . . . 5182 1 1229 . 1 1 263 263 SER C C 13 178.82 0.1 . 1 . . . . . . . . . 5182 1 1230 . 1 1 263 263 SER CA C 13 59.57 0.1 . 1 . . . . . . . . . 5182 1 1231 . 1 1 263 263 SER CB C 13 64.47 0.1 . 1 . . . . . . . . . 5182 1 1232 . 1 1 263 263 SER N N 15 121.98 0.1 . 1 . . . . . . . . . 5182 1 stop_ save_