data_7211 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7211 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Expression in Pichia pastoris and Backbone Dynamics of Dendroaspin and Erabutoxin b: Motion Variability within Three-fingered Toxins' 'Structure analysis' 'The data from the entries that make up this study were used to determine backbone dynamics of recombinant Erabutoxin b.' 7211 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 dynamics 7211 1 1 'erabutoxin b' 7211 1 1 neurotoxin 7211 1 1 structure 7211 1 1 'three-fingered toxin' 7211 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7211 _Entry.Title ; 1H and 15N Chemical Shift Assignments of Erabutoxin b ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-06 _Entry.Accession_date 2006-07-06 _Entry.Last_release_date 2009-05-28 _Entry.Original_release_date 2009-05-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Woei-Jer Chuang . . . 7211 2 Chu-Chun Chen . . . 7211 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7211 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 56 7211 '1H chemical shifts' 392 7211 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 . . 2009-05-28 2006-07-06 original author . 7211 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 7211 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H and 15N Chemical Shifts of recombinant erabutoxin b' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Woei-Jer Chuang . . . 7211 1 2 Chu-Chun Chen . . . 7211 1 3 Chun-Ho Cheng . . . 7211 1 4 Yi-Chun Chen . . . 7211 1 5 Chiu-Yueh Chen . . . 7211 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Erabutoxin b' 7211 1 NMR 7211 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7211 _Assembly.ID 1 _Assembly.Name 'Erabutoxin b monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'erabutoxin b monomer' 1 $snake_toxin . . no native no yes . . . 7211 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide SING . 1 . 1 CYS 3 3 SG . 1 . 1 CYS 24 24 SG . . . . . . . . . . 7211 1 2 disulfide SING . 1 . 1 CYS 17 17 SG . 1 . 1 CYS 41 41 SG . . . . . . . . . . 7211 1 3 disulfide SING . 1 . 1 CYS 43 43 SG . 1 . 1 CYS 54 54 SG . . . . . . . . . . 7211 1 4 disulfide SING . 1 . 1 CYS 55 55 SG . 1 . 1 CYS 60 60 SG . . . . . . . . . . 7211 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'inhibit nAChR function and block neurotransmission' 7211 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_snake_toxin _Entity.Sf_category entity _Entity.Sf_framecode snake_toxin _Entity.Entry_ID 7211 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'erabutoxin b' _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 ; RICFNHQSSQPQTTKTCSPG ESSCYHKQWSDFRGTIIERG CGCPTVKPGIKLSCCESEVC NN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic yes _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1ERA . "Tertiary Structure Of Erabutoxin B In Aqueous Solution Elucidated By Two-Dimensional Nuclear Magnetic Resonance" . . . . . 100.00 62 100.00 100.00 1.57e-36 . . . . 7211 1 2 no PDB 1FRA . "Tertiary Structure Of Erabutoxin B In Aqueous Solution Elucidated By Two-Dimensional Nuclear Magnetic Resonance" . . . . . 100.00 62 100.00 100.00 1.57e-36 . . . . 7211 1 3 no PDB 1QKD . Erabutoxin . . . . . 100.00 62 98.39 100.00 1.15e-35 . . . . 7211 1 4 no PDB 1QKE . Erabutoxin . . . . . 100.00 62 98.39 100.00 1.15e-35 . . . . 7211 1 5 no PDB 3EBX . "Refinement At 1.4 Angstroms Resolution Of A Model Of Erabutoxin B. Treatment Of Ordered Solvent And Discrete Disorder" . . . . . 100.00 62 100.00 100.00 1.57e-36 . . . . 7211 1 6 no PDB 5EBX . "The Crystal Structure Of Erabutoxin A At 2.0 Angstroms Resolution" . . . . . 100.00 62 98.39 100.00 1.15e-35 . . . . 7211 1 7 no PDB 6EBX . "Structure Determination Of A Dimeric Form Of Erabutoxin B, Crystallized From Thiocyanate Solution" . . . . . 100.00 62 100.00 100.00 1.57e-36 . . . . 7211 1 8 no DBJ BAA75749 . "short chain neurotoxin [Laticauda semifasciata]" . . . . . 100.00 83 100.00 100.00 2.12e-37 . . . . 7211 1 9 no DBJ BAA75750 . "short chain neurotoxin [Laticauda semifasciata]" . . . . . 100.00 83 100.00 100.00 2.12e-37 . . . . 7211 1 10 no DBJ BAA75751 . "short chain neurotoxin [Laticauda semifasciata]" . . . . . 100.00 83 100.00 100.00 2.12e-37 . . . . 7211 1 11 no DBJ BAA75752 . "short chain neurotoxin [Laticauda semifasciata]" . . . . . 100.00 83 98.39 100.00 1.84e-36 . . . . 7211 1 12 no DBJ BAC78199 . "erabutoxin a [Laticauda semifasciata]" . . . . . 100.00 83 98.39 100.00 1.84e-36 . . . . 7211 1 13 no EMBL CAA26373 . "unnamed protein product [Laticauda semifasciata]" . . . . . 100.00 83 98.39 100.00 1.84e-36 . . . . 7211 1 14 no EMBL CAA34824 . "unnamed protein product [Laticauda semifasciata]" . . . . . 100.00 83 100.00 100.00 2.12e-37 . . . . 7211 1 15 no EMBL CAA35770 . "erabutoxin c precursor [Laticauda semifasciata]" . . . . . 100.00 83 98.39 98.39 1.12e-36 . . . . 7211 1 16 no SP P60775 . "RecName: Full=Erabutoxin a; Short=ETXA; AltName: Full=Short neurotoxin 1a; Flags: Precursor [Laticauda semifasciata]" . . . . . 100.00 83 98.39 100.00 1.84e-36 . . . . 7211 1 17 no SP Q7T2I5 . "RecName: Full=Erabutoxin c; Short=ETXC; AltName: Full=Short neurotoxin 1c; Flags: Precursor [Laticauda semifasciata]" . . . . . 100.00 83 98.39 98.39 1.12e-36 . . . . 7211 1 18 no SP Q90VW1 . "RecName: Full=Erabutoxin b; Short=ETXB; AltName: Full=Short neurotoxin 1b; Flags: Precursor [Laticauda semifasciata]" . . . . . 100.00 83 100.00 100.00 2.12e-37 . . . . 7211 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'binds to nAChR and block neurotransmission' 7211 1 neurotoxin 7211 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID dynamics 7211 1 'erabutoxin b' 7211 1 'nicotinc acetylcholine receptor' 7211 1 'snake toxin' 7211 1 'three-fingered toxin' 7211 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 . ARG . 7211 1 2 . ILE . 7211 1 3 . CYS . 7211 1 4 . PHE . 7211 1 5 . ASN . 7211 1 6 . HIS . 7211 1 7 . GLN . 7211 1 8 . SER . 7211 1 9 . SER . 7211 1 10 . GLN . 7211 1 11 . PRO . 7211 1 12 . GLN . 7211 1 13 . THR . 7211 1 14 . THR . 7211 1 15 . LYS . 7211 1 16 . THR . 7211 1 17 . CYS . 7211 1 18 . SER . 7211 1 19 . PRO . 7211 1 20 . GLY . 7211 1 21 . GLU . 7211 1 22 . SER . 7211 1 23 . SER . 7211 1 24 . CYS . 7211 1 25 . TYR . 7211 1 26 . HIS . 7211 1 27 . LYS . 7211 1 28 . GLN . 7211 1 29 . TRP . 7211 1 30 . SER . 7211 1 31 . ASP . 7211 1 32 . PHE . 7211 1 33 . ARG . 7211 1 34 . GLY . 7211 1 35 . THR . 7211 1 36 . ILE . 7211 1 37 . ILE . 7211 1 38 . GLU . 7211 1 39 . ARG . 7211 1 40 . GLY . 7211 1 41 . CYS . 7211 1 42 . GLY . 7211 1 43 . CYS . 7211 1 44 . PRO . 7211 1 45 . THR . 7211 1 46 . VAL . 7211 1 47 . LYS . 7211 1 48 . PRO . 7211 1 49 . GLY . 7211 1 50 . ILE . 7211 1 51 . LYS . 7211 1 52 . LEU . 7211 1 53 . SER . 7211 1 54 . CYS . 7211 1 55 . CYS . 7211 1 56 . GLU . 7211 1 57 . SER . 7211 1 58 . GLU . 7211 1 59 . VAL . 7211 1 60 . CYS . 7211 1 61 . ASN . 7211 1 62 . ASN . 7211 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 . ARG 1 1 7211 1 . ILE 2 2 7211 1 . CYS 3 3 7211 1 . PHE 4 4 7211 1 . ASN 5 5 7211 1 . HIS 6 6 7211 1 . GLN 7 7 7211 1 . SER 8 8 7211 1 . SER 9 9 7211 1 . GLN 10 10 7211 1 . PRO 11 11 7211 1 . GLN 12 12 7211 1 . THR 13 13 7211 1 . THR 14 14 7211 1 . LYS 15 15 7211 1 . THR 16 16 7211 1 . CYS 17 17 7211 1 . SER 18 18 7211 1 . PRO 19 19 7211 1 . GLY 20 20 7211 1 . GLU 21 21 7211 1 . SER 22 22 7211 1 . SER 23 23 7211 1 . CYS 24 24 7211 1 . TYR 25 25 7211 1 . HIS 26 26 7211 1 . LYS 27 27 7211 1 . GLN 28 28 7211 1 . TRP 29 29 7211 1 . SER 30 30 7211 1 . ASP 31 31 7211 1 . PHE 32 32 7211 1 . ARG 33 33 7211 1 . GLY 34 34 7211 1 . THR 35 35 7211 1 . ILE 36 36 7211 1 . ILE 37 37 7211 1 . GLU 38 38 7211 1 . ARG 39 39 7211 1 . GLY 40 40 7211 1 . CYS 41 41 7211 1 . GLY 42 42 7211 1 . CYS 43 43 7211 1 . PRO 44 44 7211 1 . THR 45 45 7211 1 . VAL 46 46 7211 1 . LYS 47 47 7211 1 . PRO 48 48 7211 1 . GLY 49 49 7211 1 . ILE 50 50 7211 1 . LYS 51 51 7211 1 . LEU 52 52 7211 1 . SER 53 53 7211 1 . CYS 54 54 7211 1 . CYS 55 55 7211 1 . GLU 56 56 7211 1 . SER 57 57 7211 1 . GLU 58 58 7211 1 . VAL 59 59 7211 1 . CYS 60 60 7211 1 . ASN 61 61 7211 1 . ASN 62 62 7211 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 7211 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $snake_toxin . 8631 organism no 'Laticauda semifasciata' 'sea snake' . . Eukaryota Metazoa Laticauda semifasciata . . . . . . . . . . . . . . . . . . . . . 7211 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 7211 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $snake_toxin . 'recombinant technology' . 'Pichia pastoris' 'the X33 strain' 4922 Pichia pastoris . . . . . . . . . . . . . . . . . . . . . . . 7211 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7211 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '90% H2O/10% D2O' _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 'erabutoxin b' . . . 1 $snake_toxin . . 3 . . mM 0.01 . . . 7211 1 2 H2O . . . . . . . 90 . . % . . . . 7211 1 3 D2O . . . . . . . 10 . . % . . . . 7211 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7211 _Sample.ID 2 _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 'erabutoxin b' . . . 1 $snake_toxin . . 3 . . mM 0.01 . . . 7211 2 2 D2O . . . . . . . 100 . . % . . . . 7211 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7211 _Sample.ID 3 _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 'erabutoxin b' '[U-98% 15N]' . . 1 $snake_toxin . . 3 . . mM 0.01 . . . 7211 3 2 H2O . . . . . . . 90 . . % . . . . 7211 3 3 D2O . . . . . . . 10 . . % . . . . 7211 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7211 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'in 90% H2O and 10 % D2O or in 100 % D2O' 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 5.5 0.05 pH 7211 1 temperature 300 0.01 K 7211 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 7211 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 7211 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7211 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7211 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7211 1 2 '2D NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7211 1 3 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7211 1 4 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7211 1 5 '15N-edited NOESY' no . . . . . . . . . . 1 . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7211 1 6 '15N-edited TOCSY' no . . . . . . . . . . 1 . . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7211 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 7211 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_NOESY _NMR_spec_expt.Entry_ID 7211 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_TOCSY _NMR_spec_expt.Entry_ID 7211 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_DQF-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_DQF-COSY _NMR_spec_expt.Entry_ID 7211 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D DQF-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N-edited_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-edited_NOESY _NMR_spec_expt.Entry_ID 7211 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '15N-edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N-edited_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-edited_TOCSY _NMR_spec_expt.Entry_ID 7211 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '15N-edited TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7211 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $citation_1 . . 1 $citation_1 7211 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 7211 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7211 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 1H15N_HSQC 1 $sample_1 isotropic 7211 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $xwinnmr . . 7211 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ARG H H 1 8.74 0.01 . 1 . . . . 1 ARG H . 7211 1 2 . 1 1 1 1 ARG HA H 1 4.68 0.01 . 1 . . . . 1 ARG HA . 7211 1 3 . 1 1 1 1 ARG HB2 H 1 1.74 0.01 . 1 . . . . 1 ARG HB2 . 7211 1 4 . 1 1 1 1 ARG HB3 H 1 1.63 0.01 . 1 . . . . 1 ARG HB3 . 7211 1 5 . 1 1 1 1 ARG HG2 H 1 1.52 0.01 . 1 . . . . 1 ARG HG2 . 7211 1 6 . 1 1 1 1 ARG HG3 H 1 1.22 0.01 . 1 . . . . 1 ARG HG3 . 7211 1 7 . 1 1 1 1 ARG HD2 H 1 3.72 0.01 . 1 . . . . 1 ARG HD2 . 7211 1 8 . 1 1 1 1 ARG HD3 H 1 3.19 0.01 . 1 . . . . 1 ARG HD3 . 7211 1 9 . 1 1 1 1 ARG HE H 1 6.52 0.01 . 1 . . . . 1 ARG HE . 7211 1 10 . 1 1 1 1 ARG N N 15 124.2 0.01 . 1 . . . . 1 ARG N . 7211 1 11 . 1 1 2 2 ILE H H 1 9.19 0.01 . 1 . . . . 2 ILE H . 7211 1 12 . 1 1 2 2 ILE HA H 1 4.74 0.01 . 1 . . . . 2 ILE HA . 7211 1 13 . 1 1 2 2 ILE HB H 1 1.52 0.01 . 1 . . . . 2 ILE HB . 7211 1 14 . 1 1 2 2 ILE HG12 H 1 1.91 0.01 . 1 . . . . 2 ILE HG12 . 7211 1 15 . 1 1 2 2 ILE HG13 H 1 1.27 0.01 . 1 . . . . 2 ILE HG13 . 7211 1 16 . 1 1 2 2 ILE HG21 H 1 0.64 0.01 . 1 . . . . 2 ILE HG2 . 7211 1 17 . 1 1 2 2 ILE HG22 H 1 0.64 0.01 . 1 . . . . 2 ILE HG2 . 7211 1 18 . 1 1 2 2 ILE HG23 H 1 0.64 0.01 . 1 . . . . 2 ILE HG2 . 7211 1 19 . 1 1 2 2 ILE HD11 H 1 0.9 0.01 . 1 . . . . 2 ILE HD1 . 7211 1 20 . 1 1 2 2 ILE HD12 H 1 0.9 0.01 . 1 . . . . 2 ILE HD1 . 7211 1 21 . 1 1 2 2 ILE HD13 H 1 0.9 0.01 . 1 . . . . 2 ILE HD1 . 7211 1 22 . 1 1 2 2 ILE N N 15 126.19 0.01 . 1 . . . . 2 ILE N . 7211 1 23 . 1 1 3 3 CYS H H 1 8.29 0.01 . 1 . . . . 3 CYS H . 7211 1 24 . 1 1 3 3 CYS HA H 1 5.01 0.01 . 1 . . . . 3 CYS HA . 7211 1 25 . 1 1 3 3 CYS HB2 H 1 3.06 0.01 . 1 . . . . 3 CYS HB2 . 7211 1 26 . 1 1 3 3 CYS HB3 H 1 2.3 0.01 . 1 . . . . 3 CYS HB3 . 7211 1 27 . 1 1 3 3 CYS N N 15 121.21 0.01 . 1 . . . . 3 CYS N . 7211 1 28 . 1 1 4 4 PHE H H 1 9.11 0.01 . 1 . . . . 4 PHE H . 7211 1 29 . 1 1 4 4 PHE HA H 1 5.41 0.01 . 1 . . . . 4 PHE HA . 7211 1 30 . 1 1 4 4 PHE HB2 H 1 4.05 0.01 . 1 . . . . 4 PHE HB2 . 7211 1 31 . 1 1 4 4 PHE HB3 H 1 2.67 0.01 . 1 . . . . 4 PHE HB3 . 7211 1 32 . 1 1 4 4 PHE HD1 H 1 7.33 0.01 . 1 . . . . 4 PHE HD1 . 7211 1 33 . 1 1 4 4 PHE HE2 H 1 7.33 0.01 . 1 . . . . 4 PHE HE2 . 7211 1 34 . 1 1 5 5 ASN H H 1 9.03 0.01 . 1 . . . . 5 ASN H . 7211 1 35 . 1 1 5 5 ASN HA H 1 4.82 0.01 . 1 . . . . 5 ASN HA . 7211 1 36 . 1 1 5 5 ASN HB2 H 1 3.11 0.01 . 1 . . . . 5 ASN HB2 . 7211 1 37 . 1 1 5 5 ASN HB3 H 1 2.04 0.01 . 1 . . . . 5 ASN HB3 . 7211 1 38 . 1 1 5 5 ASN HD21 H 1 7.62 0.01 . 1 . . . . 5 ASN HD21 . 7211 1 39 . 1 1 5 5 ASN HD22 H 1 6.89 0.01 . 1 . . . . 5 ASN HD22 . 7211 1 40 . 1 1 5 5 ASN N N 15 116.74 0.01 . 1 . . . . 5 ASN N . 7211 1 41 . 1 1 6 6 HIS H H 1 9.34 0.01 . 1 . . . . 6 HIS H . 7211 1 42 . 1 1 6 6 HIS HA H 1 4.6 0.01 . 1 . . . . 6 HIS HA . 7211 1 43 . 1 1 6 6 HIS HB2 H 1 3.6 0.01 . 1 . . . . 6 HIS HB2 . 7211 1 44 . 1 1 6 6 HIS HB3 H 1 2.77 0.01 . 1 . . . . 6 HIS HB3 . 7211 1 45 . 1 1 6 6 HIS HD1 H 1 6.82 0.01 . 1 . . . . 6 HIS HD1 . 7211 1 46 . 1 1 6 6 HIS N N 15 122.46 0.01 . 1 . . . . 6 HIS N . 7211 1 47 . 1 1 7 7 GLN H H 1 8.52 0.01 . 1 . . . . 7 GLN H . 7211 1 48 . 1 1 7 7 GLN HA H 1 4.72 0.01 . 1 . . . . 7 GLN HA . 7211 1 49 . 1 1 7 7 GLN HB2 H 1 2.08 0.01 . 1 . . . . 7 GLN HB2 . 7211 1 50 . 1 1 7 7 GLN HB3 H 1 1.97 0.01 . 1 . . . . 7 GLN HB3 . 7211 1 51 . 1 1 7 7 GLN HG2 H 1 2.53 0.01 . 1 . . . . 7 GLN HG2 . 7211 1 52 . 1 1 7 7 GLN HG3 H 1 2.43 0.01 . 1 . . . . 7 GLN HG3 . 7211 1 53 . 1 1 7 7 GLN HE21 H 1 7.53 0.01 . 1 . . . . 7 GLN HE21 . 7211 1 54 . 1 1 7 7 GLN HE22 H 1 6.89 0.01 . 1 . . . . 7 GLN HE22 . 7211 1 55 . 1 1 7 7 GLN N N 15 120.22 0.01 . 1 . . . . 7 GLN N . 7211 1 56 . 1 1 8 8 SER H H 1 9.45 0.01 . 1 . . . . 8 SER H . 7211 1 57 . 1 1 8 8 SER HA H 1 3.82 0.01 . 1 . . . . 8 SER HA . 7211 1 58 . 1 1 8 8 SER HB2 H 1 4.07 0.01 . 1 . . . . 8 SER HB2 . 7211 1 59 . 1 1 8 8 SER HB3 H 1 3.98 0.01 . 1 . . . . 8 SER HB3 . 7211 1 60 . 1 1 8 8 SER N N 15 115.99 0.01 . 1 . . . . 8 SER N . 7211 1 61 . 1 1 9 9 SER H H 1 8.07 0.01 . 1 . . . . 9 SER H . 7211 1 62 . 1 1 9 9 SER HA H 1 4.87 0.01 . 1 . . . . 9 SER HA . 7211 1 63 . 1 1 9 9 SER HB2 H 1 4.02 0.01 . 1 . . . . 9 SER HB2 . 7211 1 64 . 1 1 9 9 SER HB3 H 1 3.97 0.01 . 1 . . . . 9 SER HB3 . 7211 1 65 . 1 1 9 9 SER N N 15 117.73 0.01 . 1 . . . . 9 SER N . 7211 1 66 . 1 1 10 10 GLN H H 1 8.12 0.01 . 1 . . . . 10 GLN H . 7211 1 67 . 1 1 10 10 GLN HA H 1 4.38 0.01 . 1 . . . . 10 GLN HA . 7211 1 68 . 1 1 10 10 GLN HB2 H 1 2.4 0.01 . 1 . . . . 10 GLN HB2 . 7211 1 69 . 1 1 10 10 GLN HB3 H 1 2.27 0.01 . 1 . . . . 10 GLN HB3 . 7211 1 70 . 1 1 10 10 GLN HG2 H 1 2.64 0.01 . 1 . . . . 10 GLN HG2 . 7211 1 71 . 1 1 10 10 GLN HG3 H 1 2.51 0.01 . 1 . . . . 10 GLN HG3 . 7211 1 72 . 1 1 10 10 GLN HE21 H 1 7.35 0.01 . 1 . . . . 10 GLN HE21 . 7211 1 73 . 1 1 10 10 GLN HE22 H 1 6.89 0.01 . 1 . . . . 10 GLN HE22 . 7211 1 74 . 1 1 10 10 GLN N N 15 121.21 0.01 . 1 . . . . 10 GLN N . 7211 1 75 . 1 1 11 11 PRO HA H 1 4.47 0.01 . 1 . . . . 11 PRO HA . 7211 1 76 . 1 1 11 11 PRO HB2 H 1 2.46 0.01 . 1 . . . . 11 PRO HB2 . 7211 1 77 . 1 1 11 11 PRO HB3 H 1 1.8 0.01 . 1 . . . . 11 PRO HB3 . 7211 1 78 . 1 1 11 11 PRO HG2 H 1 2.17 0.01 . 1 . . . . 11 PRO HG2 . 7211 1 79 . 1 1 11 11 PRO HG3 H 1 2.03 0.01 . 1 . . . . 11 PRO HG3 . 7211 1 80 . 1 1 11 11 PRO HD2 H 1 3.83 0.01 . 1 . . . . 11 PRO HD2 . 7211 1 81 . 1 1 11 11 PRO HD3 H 1 3.69 0.01 . 1 . . . . 11 PRO HD3 . 7211 1 82 . 1 1 12 12 GLN H H 1 7.82 0.01 . 1 . . . . 12 GLN H . 7211 1 83 . 1 1 12 12 GLN HA H 1 2.28 0.01 . 1 . . . . 12 GLN HA . 7211 1 84 . 1 1 12 12 GLN HB2 H 1 2.06 0.01 . 1 . . . . 12 GLN HB2 . 7211 1 85 . 1 1 12 12 GLN HB3 H 1 1.74 0.01 . 1 . . . . 12 GLN HB3 . 7211 1 86 . 1 1 12 12 GLN HG2 H 1 1.66 0.01 . 1 . . . . 12 GLN HG2 . 7211 1 87 . 1 1 12 12 GLN HG3 H 1 1.48 0.01 . 1 . . . . 12 GLN HG3 . 7211 1 88 . 1 1 12 12 GLN HE21 H 1 6.94 0.01 . 1 . . . . 12 GLN HE21 . 7211 1 89 . 1 1 12 12 GLN HE22 H 1 6.72 0.01 . 1 . . . . 12 GLN HE22 . 7211 1 90 . 1 1 12 12 GLN N N 15 117.98 0.01 . 1 . . . . 12 GLN N . 7211 1 91 . 1 1 13 13 THR H H 1 7.53 0.01 . 1 . . . . 13 THR H . 7211 1 92 . 1 1 13 13 THR HA H 1 4.76 0.01 . 1 . . . . 13 THR HA . 7211 1 93 . 1 1 13 13 THR HB H 1 4.42 0.01 . 1 . . . . 13 THR HB . 7211 1 94 . 1 1 13 13 THR HG21 H 1 1.28 0.01 . 1 . . . . 13 THR HG2 . 7211 1 95 . 1 1 13 13 THR HG22 H 1 1.28 0.01 . 1 . . . . 13 THR HG2 . 7211 1 96 . 1 1 13 13 THR HG23 H 1 1.28 0.01 . 1 . . . . 13 THR HG2 . 7211 1 97 . 1 1 13 13 THR N N 15 113.01 0.01 . 1 . . . . 13 THR N . 7211 1 98 . 1 1 14 14 THR H H 1 8.35 0.01 . 1 . . . . 14 THR H . 7211 1 99 . 1 1 14 14 THR HA H 1 5.25 0.01 . 1 . . . . 14 THR HA . 7211 1 100 . 1 1 14 14 THR HB H 1 3.87 0.01 . 1 . . . . 14 THR HB . 7211 1 101 . 1 1 14 14 THR HG21 H 1 0.84 0.01 . 1 . . . . 14 THR HG2 . 7211 1 102 . 1 1 14 14 THR HG22 H 1 0.84 0.01 . 1 . . . . 14 THR HG2 . 7211 1 103 . 1 1 14 14 THR HG23 H 1 0.84 0.01 . 1 . . . . 14 THR HG2 . 7211 1 104 . 1 1 14 14 THR N N 15 109.28 0.01 . 1 . . . . 14 THR N . 7211 1 105 . 1 1 15 15 LYS H H 1 8.91 0.01 . 1 . . . . 15 LYS H . 7211 1 106 . 1 1 15 15 LYS HA H 1 4.6 0.01 . 1 . . . . 15 LYS HA . 7211 1 107 . 1 1 15 15 LYS HB2 H 1 1.73 0.01 . 1 . . . . 15 LYS HB2 . 7211 1 108 . 1 1 15 15 LYS HB3 H 1 1.52 0.01 . 1 . . . . 15 LYS HB3 . 7211 1 109 . 1 1 15 15 LYS HG2 H 1 1.24 0.01 . 1 . . . . 15 LYS HG2 . 7211 1 110 . 1 1 15 15 LYS HG3 H 1 1.24 0.01 . 1 . . . . 15 LYS HG3 . 7211 1 111 . 1 1 15 15 LYS HD2 H 1 1.27 0.01 . 1 . . . . 15 LYS HD2 . 7211 1 112 . 1 1 15 15 LYS HD3 H 1 1.27 0.01 . 1 . . . . 15 LYS HD3 . 7211 1 113 . 1 1 15 15 LYS HE2 H 1 3.05 0.01 . 1 . . . . 15 LYS HE2 . 7211 1 114 . 1 1 15 15 LYS HE3 H 1 3.05 0.01 . 1 . . . . 15 LYS HE3 . 7211 1 115 . 1 1 15 15 LYS N N 15 118.48 0.01 . 1 . . . . 15 LYS N . 7211 1 116 . 1 1 16 16 THR H H 1 8.37 0.01 . 1 . . . . 16 THR H . 7211 1 117 . 1 1 16 16 THR HA H 1 4.48 0.01 . 1 . . . . 16 THR HA . 7211 1 118 . 1 1 16 16 THR HB H 1 4.08 0.01 . 1 . . . . 16 THR HB . 7211 1 119 . 1 1 16 16 THR HG21 H 1 1.3 0.01 . 1 . . . . 16 THR HG2 . 7211 1 120 . 1 1 16 16 THR HG22 H 1 1.3 0.01 . 1 . . . . 16 THR HG2 . 7211 1 121 . 1 1 16 16 THR HG23 H 1 1.3 0.01 . 1 . . . . 16 THR HG2 . 7211 1 122 . 1 1 16 16 THR N N 15 119.22 0.01 . 1 . . . . 16 THR N . 7211 1 123 . 1 1 17 17 CYS H H 1 8.44 0.01 . 1 . . . . 17 CYS H . 7211 1 124 . 1 1 17 17 CYS HA H 1 4.72 0.01 . 1 . . . . 17 CYS HA . 7211 1 125 . 1 1 17 17 CYS HB2 H 1 3.98 0.01 . 1 . . . . 17 CYS HB2 . 7211 1 126 . 1 1 17 17 CYS HB3 H 1 2.7 0.01 . 1 . . . . 17 CYS HB3 . 7211 1 127 . 1 1 17 17 CYS N N 15 124.2 0.01 . 1 . . . . 17 CYS N . 7211 1 128 . 1 1 18 18 SER H H 1 8.98 0.01 . 1 . . . . 18 SER H . 7211 1 129 . 1 1 18 18 SER HA H 1 4.6 0.01 . 1 . . . . 18 SER HA . 7211 1 130 . 1 1 18 18 SER HB2 H 1 3.95 0.01 . 1 . . . . 18 SER HB2 . 7211 1 131 . 1 1 18 18 SER HB3 H 1 3.86 0.01 . 1 . . . . 18 SER HB3 . 7211 1 132 . 1 1 18 18 SER N N 15 116.74 0.01 . 1 . . . . 18 SER N . 7211 1 133 . 1 1 19 19 PRO HA H 1 4.4 0.01 . 1 . . . . 19 PRO HA . 7211 1 134 . 1 1 19 19 PRO HB2 H 1 2.4 0.01 . 1 . . . . 19 PRO HB2 . 7211 1 135 . 1 1 19 19 PRO HB3 H 1 1.91 0.01 . 1 . . . . 19 PRO HB3 . 7211 1 136 . 1 1 19 19 PRO HG2 H 1 2.17 0.01 . 1 . . . . 19 PRO HG2 . 7211 1 137 . 1 1 19 19 PRO HG3 H 1 2.06 0.01 . 1 . . . . 19 PRO HG3 . 7211 1 138 . 1 1 19 19 PRO HD2 H 1 3.86 0.01 . 1 . . . . 19 PRO HD2 . 7211 1 139 . 1 1 19 19 PRO HD3 H 1 3.73 0.01 . 1 . . . . 19 PRO HD3 . 7211 1 140 . 1 1 20 20 GLY H H 1 8.7 0.01 . 1 . . . . 20 GLY H . 7211 1 141 . 1 1 20 20 GLY HA2 H 1 4.17 0.01 . 1 . . . . 20 GLY HA2 . 7211 1 142 . 1 1 20 20 GLY HA3 H 1 3.72 0.01 . 1 . . . . 20 GLY HA3 . 7211 1 143 . 1 1 20 20 GLY N N 15 111.02 0.01 . 1 . . . . 20 GLY N . 7211 1 144 . 1 1 21 21 GLU H H 1 7.74 0.01 . 1 . . . . 21 GLU H . 7211 1 145 . 1 1 21 21 GLU HA H 1 4.48 0.01 . 1 . . . . 21 GLU HA . 7211 1 146 . 1 1 21 21 GLU HB2 H 1 2.09 0.01 . 1 . . . . 21 GLU HB2 . 7211 1 147 . 1 1 21 21 GLU HB3 H 1 2.09 0.01 . 1 . . . . 21 GLU HB3 . 7211 1 148 . 1 1 21 21 GLU HG2 H 1 2.27 0.01 . 1 . . . . 21 GLU HG2 . 7211 1 149 . 1 1 21 21 GLU HG3 H 1 2.27 0.01 . 1 . . . . 21 GLU HG3 . 7211 1 150 . 1 1 21 21 GLU N N 15 120.74 0.01 . 1 . . . . 21 GLU N . 7211 1 151 . 1 1 22 22 SER H H 1 8.59 0.01 . 1 . . . . 22 SER H . 7211 1 152 . 1 1 22 22 SER HA H 1 4.57 0.01 . 1 . . . . 22 SER HA . 7211 1 153 . 1 1 22 22 SER HB2 H 1 3.95 0.01 . 1 . . . . 22 SER HB2 . 7211 1 154 . 1 1 22 22 SER HB3 H 1 3.72 0.01 . 1 . . . . 22 SER HB3 . 7211 1 155 . 1 1 22 22 SER N N 15 119.47 0.01 . 1 . . . . 22 SER N . 7211 1 156 . 1 1 23 23 SER H H 1 9.05 0.01 . 1 . . . . 23 SER H . 7211 1 157 . 1 1 23 23 SER HA H 1 5.56 0.01 . 1 . . . . 23 SER HA . 7211 1 158 . 1 1 23 23 SER HB2 H 1 3.82 0.01 . 1 . . . . 23 SER HB2 . 7211 1 159 . 1 1 23 23 SER HB3 H 1 3.63 0.01 . 1 . . . . 23 SER HB3 . 7211 1 160 . 1 1 23 23 SER N N 15 119.97 0.01 . 1 . . . . 23 SER N . 7211 1 161 . 1 1 24 24 CYS H H 1 9.32 0.01 . 1 . . . . 24 CYS H . 7211 1 162 . 1 1 24 24 CYS HA H 1 5.79 0.01 . 1 . . . . 24 CYS HA . 7211 1 163 . 1 1 24 24 CYS HB2 H 1 3.43 0.01 . 1 . . . . 24 CYS HB2 . 7211 1 164 . 1 1 24 24 CYS HB3 H 1 2.88 0.01 . 1 . . . . 24 CYS HB3 . 7211 1 165 . 1 1 24 24 CYS N N 15 117.98 0.01 . 1 . . . . 24 CYS N . 7211 1 166 . 1 1 25 25 TYR H H 1 8.8 0.01 . 1 . . . . 25 TYR H . 7211 1 167 . 1 1 25 25 TYR HA H 1 6.21 0.01 . 1 . . . . 25 TYR HA . 7211 1 168 . 1 1 25 25 TYR HB2 H 1 3.84 0.01 . 1 . . . . 25 TYR HB2 . 7211 1 169 . 1 1 25 25 TYR HB3 H 1 3.02 0.01 . 1 . . . . 25 TYR HB3 . 7211 1 170 . 1 1 25 25 TYR HD1 H 1 6.82 0.01 . 1 . . . . 25 TYR HD1 . 7211 1 171 . 1 1 25 25 TYR HE2 H 1 6.82 0.01 . 1 . . . . 25 TYR HE2 . 7211 1 172 . 1 1 25 25 TYR N N 15 113.26 0.01 . 1 . . . . 25 TYR N . 7211 1 173 . 1 1 26 26 HIS H H 1 9.19 0.01 . 1 . . . . 26 HIS H . 7211 1 174 . 1 1 26 26 HIS HA H 1 5.07 0.01 . 1 . . . . 26 HIS HA . 7211 1 175 . 1 1 26 26 HIS HB2 H 1 3.36 0.01 . 1 . . . . 26 HIS HB2 . 7211 1 176 . 1 1 26 26 HIS HB3 H 1 2.91 0.01 . 1 . . . . 26 HIS HB3 . 7211 1 177 . 1 1 26 26 HIS HD1 H 1 7.2 0.01 . 1 . . . . 26 HIS HD1 . 7211 1 178 . 1 1 26 26 HIS N N 15 124.2 0.01 . 1 . . . . 26 HIS N . 7211 1 179 . 1 1 27 27 LYS H H 1 9.88 0.01 . 1 . . . . 27 LYS H . 7211 1 180 . 1 1 27 27 LYS HA H 1 5.52 0.01 . 1 . . . . 27 LYS HA . 7211 1 181 . 1 1 27 27 LYS HB2 H 1 2.18 0.01 . 1 . . . . 27 LYS HB2 . 7211 1 182 . 1 1 27 27 LYS HB3 H 1 1.92 0.01 . 1 . . . . 27 LYS HB3 . 7211 1 183 . 1 1 27 27 LYS HG2 H 1 1.42 0.01 . 1 . . . . 27 LYS HG2 . 7211 1 184 . 1 1 27 27 LYS HG3 H 1 1.42 0.01 . 1 . . . . 27 LYS HG3 . 7211 1 185 . 1 1 27 27 LYS HD2 H 1 1.59 0.01 . 1 . . . . 27 LYS HD2 . 7211 1 186 . 1 1 27 27 LYS HD3 H 1 1.59 0.01 . 1 . . . . 27 LYS HD3 . 7211 1 187 . 1 1 27 27 LYS HE2 H 1 2.49 0.01 . 1 . . . . 27 LYS HE2 . 7211 1 188 . 1 1 27 27 LYS HE3 H 1 2.49 0.01 . 1 . . . . 27 LYS HE3 . 7211 1 189 . 1 1 27 27 LYS N N 15 129.42 0.01 . 1 . . . . 27 LYS N . 7211 1 190 . 1 1 28 28 GLN H H 1 9.32 0.01 . 1 . . . . 28 GLN H . 7211 1 191 . 1 1 28 28 GLN HA H 1 5.84 0.01 . 1 . . . . 28 GLN HA . 7211 1 192 . 1 1 28 28 GLN HB2 H 1 2.1 0.01 . 1 . . . . 28 GLN HB2 . 7211 1 193 . 1 1 28 28 GLN HB3 H 1 2.04 0.01 . 1 . . . . 28 GLN HB3 . 7211 1 194 . 1 1 28 28 GLN HG2 H 1 2.28 0.01 . 1 . . . . 28 GLN HG2 . 7211 1 195 . 1 1 28 28 GLN HG3 H 1 2.28 0.01 . 1 . . . . 28 GLN HG3 . 7211 1 196 . 1 1 28 28 GLN HE21 H 1 7.39 0.01 . 1 . . . . 28 GLN HE21 . 7211 1 197 . 1 1 28 28 GLN HE22 H 1 6.9 0.01 . 1 . . . . 28 GLN HE22 . 7211 1 198 . 1 1 28 28 GLN N N 15 124.69 0.01 . 1 . . . . 28 GLN N . 7211 1 199 . 1 1 29 29 TRP H H 1 8.93 0.01 . 1 . . . . 29 TRP H . 7211 1 200 . 1 1 29 29 TRP HA H 1 5.12 0.01 . 1 . . . . 29 TRP HA . 7211 1 201 . 1 1 29 29 TRP HB2 H 1 3.58 0.01 . 1 . . . . 29 TRP HB2 . 7211 1 202 . 1 1 29 29 TRP HB3 H 1 3.43 0.01 . 1 . . . . 29 TRP HB3 . 7211 1 203 . 1 1 29 29 TRP HD1 H 1 7 0.01 . 1 . . . . 29 TRP HD1 . 7211 1 204 . 1 1 29 29 TRP HE1 H 1 10.22 0.01 . 1 . . . . 29 TRP HE1 . 7211 1 205 . 1 1 29 29 TRP HE3 H 1 7.27 0.01 . 1 . . . . 29 TRP HE3 . 7211 1 206 . 1 1 29 29 TRP HZ2 H 1 6.82 0.01 . 1 . . . . 29 TRP HZ2 . 7211 1 207 . 1 1 29 29 TRP N N 15 125.94 8.93 . 1 . . . . 29 TRP N . 7211 1 208 . 1 1 30 30 SER H H 1 8.47 0.01 . 1 . . . . 30 SER H . 7211 1 209 . 1 1 30 30 SER HA H 1 5.26 0.01 . 1 . . . . 30 SER HA . 7211 1 210 . 1 1 30 30 SER HB2 H 1 3.82 0.01 . 1 . . . . 30 SER HB2 . 7211 1 211 . 1 1 30 30 SER HB3 H 1 3.66 0.01 . 1 . . . . 30 SER HB3 . 7211 1 212 . 1 1 30 30 SER N N 15 113.01 0.01 . 1 . . . . 30 SER N . 7211 1 213 . 1 1 31 31 ASP H H 1 8.64 0.01 . 1 . . . . 31 ASP H . 7211 1 214 . 1 1 31 31 ASP HA H 1 4.81 0.01 . 1 . . . . 31 ASP HA . 7211 1 215 . 1 1 31 31 ASP HB2 H 1 3.21 0.01 . 1 . . . . 31 ASP HB2 . 7211 1 216 . 1 1 31 31 ASP HB3 H 1 2.9 0.01 . 1 . . . . 31 ASP HB3 . 7211 1 217 . 1 1 31 31 ASP N N 15 123.7 0.01 . 1 . . . . 31 ASP N . 7211 1 218 . 1 1 32 32 PHE H H 1 8.23 0.01 . 1 . . . . 32 PHE H . 7211 1 219 . 1 1 32 32 PHE HA H 1 4.46 0.01 . 1 . . . . 32 PHE HA . 7211 1 220 . 1 1 32 32 PHE HB2 H 1 3.29 0.01 . 1 . . . . 32 PHE HB2 . 7211 1 221 . 1 1 32 32 PHE HB3 H 1 3.21 0.01 . 1 . . . . 32 PHE HB3 . 7211 1 222 . 1 1 32 32 PHE HD1 H 1 7.35 0.01 . 1 . . . . 32 PHE HD1 . 7211 1 223 . 1 1 32 32 PHE HD2 H 1 7.52 0.01 . 1 . . . . 32 PHE HD2 . 7211 1 224 . 1 1 32 32 PHE HE1 H 1 7.52 0.01 . 1 . . . . 32 PHE HE1 . 7211 1 225 . 1 1 32 32 PHE HE2 H 1 7.35 0.01 . 1 . . . . 32 PHE HE2 . 7211 1 226 . 1 1 32 32 PHE N N 15 117.48 0.01 . 1 . . . . 32 PHE N . 7211 1 227 . 1 1 33 33 ARG H H 1 8.33 0.01 . 1 . . . . 33 ARG H . 7211 1 228 . 1 1 33 33 ARG HA H 1 4.07 0.01 . 1 . . . . 33 ARG HA . 7211 1 229 . 1 1 33 33 ARG HB2 H 1 1.68 0.01 . 1 . . . . 33 ARG HB2 . 7211 1 230 . 1 1 33 33 ARG HB3 H 1 1.68 0.01 . 1 . . . . 33 ARG HB3 . 7211 1 231 . 1 1 33 33 ARG HG2 H 1 1.31 0.01 . 1 . . . . 33 ARG HG2 . 7211 1 232 . 1 1 33 33 ARG HG3 H 1 0.84 0.01 . 1 . . . . 33 ARG HG3 . 7211 1 233 . 1 1 33 33 ARG HD2 H 1 3.1 0.01 . 1 . . . . 33 ARG HD2 . 7211 1 234 . 1 1 33 33 ARG HD3 H 1 2.96 0.01 . 1 . . . . 33 ARG HD3 . 7211 1 235 . 1 1 33 33 ARG HE H 1 7.27 0.01 . 1 . . . . 33 ARG HE . 7211 1 236 . 1 1 33 33 ARG N N 15 119.22 0.01 . 1 . . . . 33 ARG N . 7211 1 237 . 1 1 34 34 GLY H H 1 7.94 0.01 . 1 . . . . 34 GLY H . 7211 1 238 . 1 1 34 34 GLY HA2 H 1 4.35 0.01 . 1 . . . . 34 GLY HA2 . 7211 1 239 . 1 1 34 34 GLY HA3 H 1 3.78 0.01 . 1 . . . . 34 GLY HA3 . 7211 1 240 . 1 1 34 34 GLY N N 15 108.03 0.01 . 1 . . . . 34 GLY N . 7211 1 241 . 1 1 35 35 THR H H 1 8.4 0.01 . 1 . . . . 35 THR H . 7211 1 242 . 1 1 35 35 THR HA H 1 4.54 0.01 . 1 . . . . 35 THR HA . 7211 1 243 . 1 1 35 35 THR HB H 1 3.98 0.01 . 1 . . . . 35 THR HB . 7211 1 244 . 1 1 35 35 THR HG21 H 1 1.16 0.01 . 1 . . . . 35 THR HG2 . 7211 1 245 . 1 1 35 35 THR HG22 H 1 1.16 0.01 . 1 . . . . 35 THR HG2 . 7211 1 246 . 1 1 35 35 THR HG23 H 1 1.16 0.01 . 1 . . . . 35 THR HG2 . 7211 1 247 . 1 1 35 35 THR N N 15 116.99 0.01 . 1 . . . . 35 THR N . 7211 1 248 . 1 1 36 36 ILE H H 1 8.82 0.01 . 1 . . . . 36 ILE H . 7211 1 249 . 1 1 36 36 ILE HA H 1 3.85 0.01 . 1 . . . . 36 ILE HA . 7211 1 250 . 1 1 36 36 ILE HB H 1 0.04 0.01 . 1 . . . . 36 ILE HB . 7211 1 251 . 1 1 36 36 ILE HG12 H 1 0.89 0.01 . 1 . . . . 36 ILE HG12 . 7211 1 252 . 1 1 36 36 ILE HG13 H 1 0.58 0.01 . 1 . . . . 36 ILE HG13 . 7211 1 253 . 1 1 36 36 ILE HG21 H 1 0.16 0.01 . 1 . . . . 36 ILE HG2 . 7211 1 254 . 1 1 36 36 ILE HG22 H 1 0.16 0.01 . 1 . . . . 36 ILE HG2 . 7211 1 255 . 1 1 36 36 ILE HG23 H 1 0.16 0.01 . 1 . . . . 36 ILE HG2 . 7211 1 256 . 1 1 36 36 ILE HD11 H 1 0.34 0.01 . 1 . . . . 36 ILE HD1 . 7211 1 257 . 1 1 36 36 ILE HD12 H 1 0.34 0.01 . 1 . . . . 36 ILE HD1 . 7211 1 258 . 1 1 36 36 ILE HD13 H 1 0.34 0.01 . 1 . . . . 36 ILE HD1 . 7211 1 259 . 1 1 36 36 ILE N N 15 130.16 0.01 . 1 . . . . 36 ILE N . 7211 1 260 . 1 1 37 37 ILE H H 1 7.34 0.01 . 1 . . . . 37 ILE H . 7211 1 261 . 1 1 37 37 ILE HA H 1 4.98 0.01 . 1 . . . . 37 ILE HA . 7211 1 262 . 1 1 37 37 ILE HB H 1 1.17 0.01 . 1 . . . . 37 ILE HB . 7211 1 263 . 1 1 37 37 ILE HG12 H 1 1.45 0.01 . 1 . . . . 37 ILE HG12 . 7211 1 264 . 1 1 37 37 ILE HG13 H 1 0.72 0.01 . 1 . . . . 37 ILE HG13 . 7211 1 265 . 1 1 37 37 ILE HG21 H 1 0.14 0.01 . 1 . . . . 37 ILE HG2 . 7211 1 266 . 1 1 37 37 ILE HG22 H 1 0.14 0.01 . 1 . . . . 37 ILE HG2 . 7211 1 267 . 1 1 37 37 ILE HG23 H 1 0.14 0.01 . 1 . . . . 37 ILE HG2 . 7211 1 268 . 1 1 37 37 ILE HD11 H 1 0.71 0.01 . 1 . . . . 37 ILE HD1 . 7211 1 269 . 1 1 37 37 ILE HD12 H 1 0.71 0.01 . 1 . . . . 37 ILE HD1 . 7211 1 270 . 1 1 37 37 ILE HD13 H 1 0.71 0.01 . 1 . . . . 37 ILE HD1 . 7211 1 271 . 1 1 37 37 ILE N N 15 121.71 0.01 . 1 . . . . 37 ILE N . 7211 1 272 . 1 1 38 38 GLU H H 1 9.38 0.01 . 1 . . . . 38 GLU H . 7211 1 273 . 1 1 38 38 GLU HA H 1 4.76 0.01 . 1 . . . . 38 GLU HA . 7211 1 274 . 1 1 38 38 GLU HB2 H 1 2.23 0.01 . 1 . . . . 38 GLU HB2 . 7211 1 275 . 1 1 38 38 GLU HB3 H 1 2.23 0.01 . 1 . . . . 38 GLU HB3 . 7211 1 276 . 1 1 38 38 GLU HG2 H 1 2.55 0.01 . 1 . . . . 38 GLU HG2 . 7211 1 277 . 1 1 38 38 GLU HG3 H 1 2.55 0.01 . 1 . . . . 38 GLU HG3 . 7211 1 278 . 1 1 38 38 GLU N N 15 127.68 0.01 . 1 . . . . 38 GLU N . 7211 1 279 . 1 1 39 39 ARG H H 1 8.43 0.01 . 1 . . . . 39 ARG H . 7211 1 280 . 1 1 39 39 ARG HA H 1 4.85 0.01 . 1 . . . . 39 ARG HA . 7211 1 281 . 1 1 39 39 ARG HB2 H 1 1.59 0.01 . 1 . . . . 39 ARG HB2 . 7211 1 282 . 1 1 39 39 ARG HB3 H 1 1.2 0.01 . 1 . . . . 39 ARG HB3 . 7211 1 283 . 1 1 39 39 ARG HG2 H 1 1.03 0.01 . 1 . . . . 39 ARG HG2 . 7211 1 284 . 1 1 39 39 ARG HG3 H 1 1.03 0.01 . 1 . . . . 39 ARG HG3 . 7211 1 285 . 1 1 39 39 ARG HD2 H 1 3.1 0.01 . 1 . . . . 39 ARG HD2 . 7211 1 286 . 1 1 39 39 ARG HD3 H 1 2.39 0.01 . 1 . . . . 39 ARG HD3 . 7211 1 287 . 1 1 39 39 ARG HE H 1 6.99 0.01 . 1 . . . . 39 ARG HE . 7211 1 288 . 1 1 39 39 ARG N N 15 126.19 0.01 . 1 . . . . 39 ARG N . 7211 1 289 . 1 1 40 40 GLY H H 1 6.13 0.01 . 1 . . . . 40 GLY H . 7211 1 290 . 1 1 40 40 GLY HA2 H 1 3.85 0.01 . 1 . . . . 40 GLY HA2 . 7211 1 291 . 1 1 40 40 GLY HA3 H 1 3.05 0.01 . 1 . . . . 40 GLY HA3 . 7211 1 292 . 1 1 40 40 GLY N N 15 103.06 0.01 . 1 . . . . 40 GLY N . 7211 1 293 . 1 1 41 41 CYS H H 1 8.55 0.01 . 1 . . . . 41 CYS H . 7211 1 294 . 1 1 41 41 CYS HA H 1 5.43 0.01 . 1 . . . . 41 CYS HA . 7211 1 295 . 1 1 41 41 CYS HB2 H 1 3.19 0.01 . 1 . . . . 41 CYS HB2 . 7211 1 296 . 1 1 41 41 CYS HB3 H 1 3.04 0.01 . 1 . . . . 41 CYS HB3 . 7211 1 297 . 1 1 41 41 CYS N N 15 118.48 0.01 . 1 . . . . 41 CYS N . 7211 1 298 . 1 1 42 42 GLY H H 1 9.15 0.01 . 1 . . . . 42 GLY H . 7211 1 299 . 1 1 42 42 GLY HA2 H 1 4.16 0.01 . 1 . . . . 42 GLY HA2 . 7211 1 300 . 1 1 42 42 GLY HA3 H 1 3.73 0.01 . 1 . . . . 42 GLY HA3 . 7211 1 301 . 1 1 42 42 GLY N N 15 110.27 0.01 . 1 . . . . 42 GLY N . 7211 1 302 . 1 1 43 43 CYS H H 1 8.13 0.01 . 1 . . . . 43 CYS H . 7211 1 303 . 1 1 43 43 CYS HA H 1 5.22 0.01 . 1 . . . . 43 CYS HA . 7211 1 304 . 1 1 43 43 CYS HB2 H 1 2.96 0.01 . 1 . . . . 43 CYS HB2 . 7211 1 305 . 1 1 43 43 CYS HB3 H 1 2.83 0.01 . 1 . . . . 43 CYS HB3 . 7211 1 306 . 1 1 43 43 CYS N N 15 113.26 0.01 . 1 . . . . 43 CYS N . 7211 1 307 . 1 1 44 44 PRO HA H 1 4.57 0.01 . 1 . . . . 44 PRO HA . 7211 1 308 . 1 1 44 44 PRO HB2 H 1 2.02 0.01 . 1 . . . . 44 PRO HB2 . 7211 1 309 . 1 1 44 44 PRO HB3 H 1 1.76 0.01 . 1 . . . . 44 PRO HB3 . 7211 1 310 . 1 1 44 44 PRO HG2 H 1 1.26 0.01 . 1 . . . . 44 PRO HG2 . 7211 1 311 . 1 1 44 44 PRO HG3 H 1 0.93 0.01 . 1 . . . . 44 PRO HG3 . 7211 1 312 . 1 1 44 44 PRO HD2 H 1 3.07 0.01 . 1 . . . . 44 PRO HD2 . 7211 1 313 . 1 1 44 44 PRO HD3 H 1 2.99 0.01 . 1 . . . . 44 PRO HD3 . 7211 1 314 . 1 1 45 45 THR H H 1 7.8 0.01 . 1 . . . . 45 THR H . 7211 1 315 . 1 1 45 45 THR HA H 1 4.23 0.01 . 1 . . . . 45 THR HA . 7211 1 316 . 1 1 45 45 THR HB H 1 3.99 0.01 . 1 . . . . 45 THR HB . 7211 1 317 . 1 1 45 45 THR HG21 H 1 1.19 0.01 . 1 . . . . 45 THR HG2 . 7211 1 318 . 1 1 45 45 THR HG22 H 1 1.19 0.01 . 1 . . . . 45 THR HG2 . 7211 1 319 . 1 1 45 45 THR HG23 H 1 1.19 0.01 . 1 . . . . 45 THR HG2 . 7211 1 320 . 1 1 45 45 THR N N 15 111.02 0.01 . 1 . . . . 45 THR N . 7211 1 321 . 1 1 46 46 VAL H H 1 8.33 0.01 . 1 . . . . 46 VAL H . 7211 1 322 . 1 1 46 46 VAL HA H 1 4.44 0.01 . 1 . . . . 46 VAL HA . 7211 1 323 . 1 1 46 46 VAL HB H 1 2.08 0.01 . 1 . . . . 46 VAL HB . 7211 1 324 . 1 1 46 46 VAL HG11 H 1 0.86 0.01 . 1 . . . . 46 VAL HG1 . 7211 1 325 . 1 1 46 46 VAL HG12 H 1 0.86 0.01 . 1 . . . . 46 VAL HG1 . 7211 1 326 . 1 1 46 46 VAL HG13 H 1 0.86 0.01 . 1 . . . . 46 VAL HG1 . 7211 1 327 . 1 1 46 46 VAL HG21 H 1 0.78 0.01 . 1 . . . . 46 VAL HG2 . 7211 1 328 . 1 1 46 46 VAL HG22 H 1 0.78 0.01 . 1 . . . . 46 VAL HG2 . 7211 1 329 . 1 1 46 46 VAL HG23 H 1 0.78 0.01 . 1 . . . . 46 VAL HG2 . 7211 1 330 . 1 1 46 46 VAL N N 15 118.48 0.01 . 1 . . . . 46 VAL N . 7211 1 331 . 1 1 47 47 LYS H H 1 7.84 0.01 . 1 . . . . 47 LYS H . 7211 1 332 . 1 1 47 47 LYS HA H 1 4.52 0.01 . 1 . . . . 47 LYS HA . 7211 1 333 . 1 1 47 47 LYS HB2 H 1 1.8 0.01 . 1 . . . . 47 LYS HB2 . 7211 1 334 . 1 1 47 47 LYS HB3 H 1 1.62 0.01 . 1 . . . . 47 LYS HB3 . 7211 1 335 . 1 1 47 47 LYS HG2 H 1 1.51 0.01 . 1 . . . . 47 LYS HG2 . 7211 1 336 . 1 1 47 47 LYS HG3 H 1 1.43 0.01 . 1 . . . . 47 LYS HG3 . 7211 1 337 . 1 1 47 47 LYS HD2 H 1 1.63 0.01 . 1 . . . . 47 LYS HD2 . 7211 1 338 . 1 1 47 47 LYS HD3 H 1 1.63 0.01 . 1 . . . . 47 LYS HD3 . 7211 1 339 . 1 1 47 47 LYS HE2 H 1 2.9 0.01 . 1 . . . . 47 LYS HE2 . 7211 1 340 . 1 1 47 47 LYS HE3 H 1 2.9 0.01 . 1 . . . . 47 LYS HE3 . 7211 1 341 . 1 1 47 47 LYS N N 15 122.46 0.01 . 1 . . . . 47 LYS N . 7211 1 342 . 1 1 48 48 PRO HA H 1 4.45 0.01 . 1 . . . . 48 PRO HA . 7211 1 343 . 1 1 48 48 PRO HB2 H 1 2.49 0.01 . 1 . . . . 48 PRO HB2 . 7211 1 344 . 1 1 48 48 PRO HB3 H 1 1.78 0.01 . 1 . . . . 48 PRO HB3 . 7211 1 345 . 1 1 48 48 PRO HG2 H 1 2.03 0.01 . 1 . . . . 48 PRO HG2 . 7211 1 346 . 1 1 48 48 PRO HD2 H 1 3.84 0.01 . 1 . . . . 48 PRO HD2 . 7211 1 347 . 1 1 48 48 PRO HD3 H 1 3.67 0.01 . 1 . . . . 48 PRO HD3 . 7211 1 348 . 1 1 49 49 GLY H H 1 8.68 0.01 . 1 . . . . 49 GLY H . 7211 1 349 . 1 1 49 49 GLY HA2 H 1 4.34 0.01 . 1 . . . . 49 GLY HA2 . 7211 1 350 . 1 1 49 49 GLY HA3 H 1 3.68 0.01 . 1 . . . . 49 GLY HA3 . 7211 1 351 . 1 1 49 49 GLY N N 15 110.77 0.01 . 1 . . . . 49 GLY N . 7211 1 352 . 1 1 50 50 ILE H H 1 7.64 0.01 . 1 . . . . 50 ILE H . 7211 1 353 . 1 1 50 50 ILE HA H 1 4.41 0.01 . 1 . . . . 50 ILE HA . 7211 1 354 . 1 1 50 50 ILE HB H 1 1.96 0.01 . 1 . . . . 50 ILE HB . 7211 1 355 . 1 1 50 50 ILE HG12 H 1 1.22 0.01 . 1 . . . . 50 ILE HG12 . 7211 1 356 . 1 1 50 50 ILE HG13 H 1 0.98 0.01 . 1 . . . . 50 ILE HG13 . 7211 1 357 . 1 1 50 50 ILE HG21 H 1 0.81 0.01 . 1 . . . . 50 ILE HG2 . 7211 1 358 . 1 1 50 50 ILE HG22 H 1 0.81 0.01 . 1 . . . . 50 ILE HG2 . 7211 1 359 . 1 1 50 50 ILE HG23 H 1 0.81 0.01 . 1 . . . . 50 ILE HG2 . 7211 1 360 . 1 1 50 50 ILE HD11 H 1 0.45 0.01 . 1 . . . . 50 ILE HD1 . 7211 1 361 . 1 1 50 50 ILE HD12 H 1 0.45 0.01 . 1 . . . . 50 ILE HD1 . 7211 1 362 . 1 1 50 50 ILE HD13 H 1 0.45 0.01 . 1 . . . . 50 ILE HD1 . 7211 1 363 . 1 1 50 50 ILE N N 15 120.72 0.01 . 1 . . . . 50 ILE N . 7211 1 364 . 1 1 51 51 LYS H H 1 8.81 0.01 . 1 . . . . 51 LYS H . 7211 1 365 . 1 1 51 51 LYS HA H 1 4.59 0.01 . 1 . . . . 51 LYS HA . 7211 1 366 . 1 1 51 51 LYS HB2 H 1 1.96 0.01 . 1 . . . . 51 LYS HB2 . 7211 1 367 . 1 1 51 51 LYS HB3 H 1 1.96 0.01 . 1 . . . . 51 LYS HB3 . 7211 1 368 . 1 1 51 51 LYS HG2 H 1 1.52 0.01 . 1 . . . . 51 LYS HG2 . 7211 1 369 . 1 1 51 51 LYS HG3 H 1 1.4 0.01 . 1 . . . . 51 LYS HG3 . 7211 1 370 . 1 1 51 51 LYS HD2 H 1 1.68 0.01 . 1 . . . . 51 LYS HD2 . 7211 1 371 . 1 1 51 51 LYS HD3 H 1 1.68 0.01 . 1 . . . . 51 LYS HD3 . 7211 1 372 . 1 1 51 51 LYS HE2 H 1 2.95 0.01 . 1 . . . . 51 LYS HE2 . 7211 1 373 . 1 1 51 51 LYS HE3 H 1 2.95 0.01 . 1 . . . . 51 LYS HE3 . 7211 1 374 . 1 1 51 51 LYS N N 15 127.43 0.01 . 1 . . . . 51 LYS N . 7211 1 375 . 1 1 52 52 LEU H H 1 8.95 0.01 . 1 . . . . 52 LEU H . 7211 1 376 . 1 1 52 52 LEU HA H 1 5.43 0.01 . 1 . . . . 52 LEU HA . 7211 1 377 . 1 1 52 52 LEU HB2 H 1 1.93 0.01 . 1 . . . . 52 LEU HB2 . 7211 1 378 . 1 1 52 52 LEU HB3 H 1 1.27 0.01 . 1 . . . . 52 LEU HB3 . 7211 1 379 . 1 1 52 52 LEU HG H 1 1.52 0.01 . 1 . . . . 52 LEU HG . 7211 1 380 . 1 1 52 52 LEU HD11 H 1 0.89 0.01 . 1 . . . . 52 LEU HD1 . 7211 1 381 . 1 1 52 52 LEU HD12 H 1 0.89 0.01 . 1 . . . . 52 LEU HD1 . 7211 1 382 . 1 1 52 52 LEU HD13 H 1 0.89 0.01 . 1 . . . . 52 LEU HD1 . 7211 1 383 . 1 1 52 52 LEU HD21 H 1 0.89 0.01 . 1 . . . . 52 LEU HD2 . 7211 1 384 . 1 1 52 52 LEU HD22 H 1 0.89 0.01 . 1 . . . . 52 LEU HD2 . 7211 1 385 . 1 1 52 52 LEU HD23 H 1 0.89 0.01 . 1 . . . . 52 LEU HD2 . 7211 1 386 . 1 1 52 52 LEU N N 15 130.46 0.01 . 1 . . . . 52 LEU N . 7211 1 387 . 1 1 53 53 SER H H 1 9.2 0.01 . 1 . . . . 53 SER H . 7211 1 388 . 1 1 53 53 SER HA H 1 4.92 0.01 . 1 . . . . 53 SER HA . 7211 1 389 . 1 1 53 53 SER HB2 H 1 3.81 0.01 . 1 . . . . 53 SER HB2 . 7211 1 390 . 1 1 53 53 SER HB3 H 1 3.81 0.01 . 1 . . . . 53 SER HB3 . 7211 1 391 . 1 1 53 53 SER N N 15 121.46 0.01 . 1 . . . . 53 SER N . 7211 1 392 . 1 1 54 54 CYS H H 1 9.14 0.01 . 1 . . . . 54 CYS H . 7211 1 393 . 1 1 54 54 CYS HA H 1 5.82 0.01 . 1 . . . . 54 CYS HA . 7211 1 394 . 1 1 54 54 CYS HB2 H 1 3.54 0.01 . 1 . . . . 54 CYS HB2 . 7211 1 395 . 1 1 54 54 CYS HB3 H 1 3.2 0.01 . 1 . . . . 54 CYS HB3 . 7211 1 396 . 1 1 55 55 CYS H H 1 9.32 0.01 . 1 . . . . 55 CYS H . 7211 1 397 . 1 1 55 55 CYS HA H 1 5.12 0.01 . 1 . . . . 55 CYS HA . 7211 1 398 . 1 1 55 55 CYS HB2 H 1 3.43 0.01 . 1 . . . . 55 CYS HB2 . 7211 1 399 . 1 1 55 55 CYS HB3 H 1 3.32 0.01 . 1 . . . . 55 CYS HB3 . 7211 1 400 . 1 1 55 55 CYS N N 15 118.48 0.01 . 1 . . . . 55 CYS N . 7211 1 401 . 1 1 56 56 GLU H H 1 8.71 0.01 . 1 . . . . 56 GLU H . 7211 1 402 . 1 1 56 56 GLU HA H 1 5.26 0.01 . 1 . . . . 56 GLU HA . 7211 1 403 . 1 1 56 56 GLU HB2 H 1 1.89 0.01 . 1 . . . . 56 GLU HB2 . 7211 1 404 . 1 1 56 56 GLU HB3 H 1 1.89 0.01 . 1 . . . . 56 GLU HB3 . 7211 1 405 . 1 1 56 56 GLU HG2 H 1 2.27 0.01 . 1 . . . . 56 GLU HG2 . 7211 1 406 . 1 1 56 56 GLU HG3 H 1 2.21 0.01 . 1 . . . . 56 GLU HG3 . 7211 1 407 . 1 1 56 56 GLU N N 15 120.96 0.01 . 1 . . . . 56 GLU N . 7211 1 408 . 1 1 57 57 SER H H 1 7.47 0.01 . 1 . . . . 57 SER H . 7211 1 409 . 1 1 57 57 SER HA H 1 4.57 0.01 . 1 . . . . 57 SER HA . 7211 1 410 . 1 1 57 57 SER HB2 H 1 3.94 0.01 . 1 . . . . 57 SER HB2 . 7211 1 411 . 1 1 57 57 SER HB3 H 1 3.89 0.01 . 1 . . . . 57 SER HB3 . 7211 1 412 . 1 1 57 57 SER N N 15 113.5 0.01 . 1 . . . . 57 SER N . 7211 1 413 . 1 1 58 58 GLU H H 1 8.2 0.01 . 1 . . . . 58 GLU H . 7211 1 414 . 1 1 58 58 GLU HA H 1 4.74 0.01 . 1 . . . . 58 GLU HA . 7211 1 415 . 1 1 58 58 GLU HB2 H 1 2 0.01 . 1 . . . . 58 GLU HB2 . 7211 1 416 . 1 1 58 58 GLU HB3 H 1 2 0.01 . 1 . . . . 58 GLU HB3 . 7211 1 417 . 1 1 58 58 GLU HG2 H 1 2.36 0.01 . 1 . . . . 58 GLU HG2 . 7211 1 418 . 1 1 58 58 GLU HG3 H 1 2.36 0.01 . 1 . . . . 58 GLU HG3 . 7211 1 419 . 1 1 58 58 GLU N N 15 118.73 0.01 . 1 . . . . 58 GLU N . 7211 1 420 . 1 1 59 59 VAL H H 1 8.95 0.01 . 1 . . . . 59 VAL H . 7211 1 421 . 1 1 59 59 VAL HA H 1 3.23 0.01 . 1 . . . . 59 VAL HA . 7211 1 422 . 1 1 59 59 VAL HB H 1 1.73 0.01 . 1 . . . . 59 VAL HB . 7211 1 423 . 1 1 59 59 VAL HG11 H 1 0.61 0.01 . 1 . . . . 59 VAL HG1 . 7211 1 424 . 1 1 59 59 VAL HG12 H 1 0.61 0.01 . 1 . . . . 59 VAL HG1 . 7211 1 425 . 1 1 59 59 VAL HG13 H 1 0.61 0.01 . 1 . . . . 59 VAL HG1 . 7211 1 426 . 1 1 59 59 VAL HG21 H 1 0.14 0.01 . 1 . . . . 59 VAL HG2 . 7211 1 427 . 1 1 59 59 VAL HG22 H 1 0.14 0.01 . 1 . . . . 59 VAL HG2 . 7211 1 428 . 1 1 59 59 VAL HG23 H 1 0.14 0.01 . 1 . . . . 59 VAL HG2 . 7211 1 429 . 1 1 59 59 VAL N N 15 112.26 0.01 . 1 . . . . 59 VAL N . 7211 1 430 . 1 1 60 60 CYS H H 1 6.82 0.01 . 1 . . . . 60 CYS H . 7211 1 431 . 1 1 60 60 CYS HA H 1 4.63 0.01 . 1 . . . . 60 CYS HA . 7211 1 432 . 1 1 60 60 CYS HB2 H 1 3.45 0.01 . 1 . . . . 60 CYS HB2 . 7211 1 433 . 1 1 60 60 CYS HB3 H 1 3.31 0.01 . 1 . . . . 60 CYS HB3 . 7211 1 434 . 1 1 60 60 CYS N N 15 109.77 0.01 . 1 . . . . 60 CYS N . 7211 1 435 . 1 1 61 61 ASN H H 1 9.66 0.01 . 1 . . . . 61 ASN H . 7211 1 436 . 1 1 61 61 ASN HA H 1 4.83 0.01 . 1 . . . . 61 ASN HA . 7211 1 437 . 1 1 61 61 ASN HB2 H 1 2.88 0.01 . 1 . . . . 61 ASN HB2 . 7211 1 438 . 1 1 61 61 ASN HB3 H 1 2.32 0.01 . 1 . . . . 61 ASN HB3 . 7211 1 439 . 1 1 61 61 ASN HD21 H 1 8.12 0.01 . 1 . . . . 61 ASN HD21 . 7211 1 440 . 1 1 61 61 ASN HD22 H 1 8.05 0.01 . 1 . . . . 61 ASN HD22 . 7211 1 441 . 1 1 61 61 ASN N N 15 121.46 0.01 . 1 . . . . 61 ASN N . 7211 1 442 . 1 1 62 62 ASN H H 1 8.18 0.01 . 1 . . . . 62 ASN H . 7211 1 443 . 1 1 62 62 ASN HA H 1 3.97 0.01 . 1 . . . . 62 ASN HA . 7211 1 444 . 1 1 62 62 ASN HB2 H 1 2.63 0.01 . 1 . . . . 62 ASN HB2 . 7211 1 445 . 1 1 62 62 ASN HB3 H 1 2.63 0.01 . 1 . . . . 62 ASN HB3 . 7211 1 446 . 1 1 62 62 ASN HD21 H 1 7.4 0.01 . 1 . . . . 62 ASN HD21 . 7211 1 447 . 1 1 62 62 ASN HD22 H 1 6.7 0.01 . 1 . . . . 62 ASN HD22 . 7211 1 448 . 1 1 62 62 ASN N N 15 121.71 0.01 . 1 . . . . 62 ASN N . 7211 1 stop_ save_