data_6725 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6725 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Dengue Envelop protein Domain III' 'Structure analysis' 'N15, C13 and H1 chemical shift assignment' 6725 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 'NMR assignments' 6725 1 1 dengue 6725 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6725 _Entry.Title ; 1H, 13C and 15N resonance assignments for domain III of the Dengue Virus envelope protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-07-05 _Entry.Accession_date 2005-07-05 _Entry.Last_release_date 2005-07-05 _Entry.Original_release_date 2005-07-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Chih-wei Wu . . . . 6725 2 Jya-Wei Cheng . . . . 6725 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6725 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 420 6725 '15N chemical shifts' 97 6725 '1H chemical shifts' 742 6725 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-03-16 2005-07-02 update BMRB 'correct residue number' 6725 1 . . 2005-10-27 2005-07-02 original author 'original release' 6725 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6725 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16222568 _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C Resonance Assignments of the Domain III of the Dengue Virus Envelope Protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 1 _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 76 _Citation.Page_last 76 _Citation.Year 2005 _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 Chih-wei Wu . . . . 6725 1 2 Yi-Tang Lin . . . . 6725 1 3 Kuo-Chun Huang . . . . 6725 1 4 Jya-Wei Cheng . . . . 6725 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6725 _Assembly.ID 1 _Assembly.Name 'Dengue envelope protein domain III' _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_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6725 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 'Dengue envelop protein domain III' 1 $Dengue_envelop_protein_domain_III . . yes native no no . . . 6725 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 14 14 SG . 1 . 1 CYS 45 45 SG . . . . . . . . . . 6725 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dengue_envelop_protein_domain_III _Entity.Sf_category entity _Entity.Sf_framecode Dengue_envelop_protein_domain_III _Entity.Entry_ID 6725 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DEN E-D3' _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 ; MDKLQLKGMSYSMCTGKFKV VKEIAETQHGTIVIRVQYEG DGSPCKIPFEIMDLEKRHVL GRLITVNPIVTEKDSPVNIE AEPPFGDSYIIIGVEPGQLK LNWFKKGSSLE ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 . 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 . MET . 6725 1 2 . ASP . 6725 1 3 . LYS . 6725 1 4 . LEU . 6725 1 5 . GLN . 6725 1 6 . LEU . 6725 1 7 . LYS . 6725 1 8 . GLY . 6725 1 9 . MET . 6725 1 10 . SER . 6725 1 11 . TYR . 6725 1 12 . SER . 6725 1 13 . MET . 6725 1 14 . CYS . 6725 1 15 . THR . 6725 1 16 . GLY . 6725 1 17 . LYS . 6725 1 18 . PHE . 6725 1 19 . LYS . 6725 1 20 . VAL . 6725 1 21 . VAL . 6725 1 22 . LYS . 6725 1 23 . GLU . 6725 1 24 . ILE . 6725 1 25 . ALA . 6725 1 26 . GLU . 6725 1 27 . THR . 6725 1 28 . GLN . 6725 1 29 . HIS . 6725 1 30 . GLY . 6725 1 31 . THR . 6725 1 32 . ILE . 6725 1 33 . VAL . 6725 1 34 . ILE . 6725 1 35 . ARG . 6725 1 36 . VAL . 6725 1 37 . GLN . 6725 1 38 . TYR . 6725 1 39 . GLU . 6725 1 40 . GLY . 6725 1 41 . ASP . 6725 1 42 . GLY . 6725 1 43 . SER . 6725 1 44 . PRO . 6725 1 45 . CYS . 6725 1 46 . LYS . 6725 1 47 . ILE . 6725 1 48 . PRO . 6725 1 49 . PHE . 6725 1 50 . GLU . 6725 1 51 . ILE . 6725 1 52 . MET . 6725 1 53 . ASP . 6725 1 54 . LEU . 6725 1 55 . GLU . 6725 1 56 . LYS . 6725 1 57 . ARG . 6725 1 58 . HIS . 6725 1 59 . VAL . 6725 1 60 . LEU . 6725 1 61 . GLY . 6725 1 62 . ARG . 6725 1 63 . LEU . 6725 1 64 . ILE . 6725 1 65 . THR . 6725 1 66 . VAL . 6725 1 67 . ASN . 6725 1 68 . PRO . 6725 1 69 . ILE . 6725 1 70 . VAL . 6725 1 71 . THR . 6725 1 72 . GLU . 6725 1 73 . LYS . 6725 1 74 . ASP . 6725 1 75 . SER . 6725 1 76 . PRO . 6725 1 77 . VAL . 6725 1 78 . ASN . 6725 1 79 . ILE . 6725 1 80 . GLU . 6725 1 81 . ALA . 6725 1 82 . GLU . 6725 1 83 . PRO . 6725 1 84 . PRO . 6725 1 85 . PHE . 6725 1 86 . GLY . 6725 1 87 . ASP . 6725 1 88 . SER . 6725 1 89 . TYR . 6725 1 90 . ILE . 6725 1 91 . ILE . 6725 1 92 . ILE . 6725 1 93 . GLY . 6725 1 94 . VAL . 6725 1 95 . GLU . 6725 1 96 . PRO . 6725 1 97 . GLY . 6725 1 98 . GLN . 6725 1 99 . LEU . 6725 1 100 . LYS . 6725 1 101 . LEU . 6725 1 102 . ASN . 6725 1 103 . TRP . 6725 1 104 . PHE . 6725 1 105 . LYS . 6725 1 106 . LYS . 6725 1 107 . GLY . 6725 1 108 . SER . 6725 1 109 . SER . 6725 1 110 . LEU . 6725 1 111 . GLU . 6725 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 . MET 1 1 6725 1 . ASP 2 2 6725 1 . LYS 3 3 6725 1 . LEU 4 4 6725 1 . GLN 5 5 6725 1 . LEU 6 6 6725 1 . LYS 7 7 6725 1 . GLY 8 8 6725 1 . MET 9 9 6725 1 . SER 10 10 6725 1 . TYR 11 11 6725 1 . SER 12 12 6725 1 . MET 13 13 6725 1 . CYS 14 14 6725 1 . THR 15 15 6725 1 . GLY 16 16 6725 1 . LYS 17 17 6725 1 . PHE 18 18 6725 1 . LYS 19 19 6725 1 . VAL 20 20 6725 1 . VAL 21 21 6725 1 . LYS 22 22 6725 1 . GLU 23 23 6725 1 . ILE 24 24 6725 1 . ALA 25 25 6725 1 . GLU 26 26 6725 1 . THR 27 27 6725 1 . GLN 28 28 6725 1 . HIS 29 29 6725 1 . GLY 30 30 6725 1 . THR 31 31 6725 1 . ILE 32 32 6725 1 . VAL 33 33 6725 1 . ILE 34 34 6725 1 . ARG 35 35 6725 1 . VAL 36 36 6725 1 . GLN 37 37 6725 1 . TYR 38 38 6725 1 . GLU 39 39 6725 1 . GLY 40 40 6725 1 . ASP 41 41 6725 1 . GLY 42 42 6725 1 . SER 43 43 6725 1 . PRO 44 44 6725 1 . CYS 45 45 6725 1 . LYS 46 46 6725 1 . ILE 47 47 6725 1 . PRO 48 48 6725 1 . PHE 49 49 6725 1 . GLU 50 50 6725 1 . ILE 51 51 6725 1 . MET 52 52 6725 1 . ASP 53 53 6725 1 . LEU 54 54 6725 1 . GLU 55 55 6725 1 . LYS 56 56 6725 1 . ARG 57 57 6725 1 . HIS 58 58 6725 1 . VAL 59 59 6725 1 . LEU 60 60 6725 1 . GLY 61 61 6725 1 . ARG 62 62 6725 1 . LEU 63 63 6725 1 . ILE 64 64 6725 1 . THR 65 65 6725 1 . VAL 66 66 6725 1 . ASN 67 67 6725 1 . PRO 68 68 6725 1 . ILE 69 69 6725 1 . VAL 70 70 6725 1 . THR 71 71 6725 1 . GLU 72 72 6725 1 . LYS 73 73 6725 1 . ASP 74 74 6725 1 . SER 75 75 6725 1 . PRO 76 76 6725 1 . VAL 77 77 6725 1 . ASN 78 78 6725 1 . ILE 79 79 6725 1 . GLU 80 80 6725 1 . ALA 81 81 6725 1 . GLU 82 82 6725 1 . PRO 83 83 6725 1 . PRO 84 84 6725 1 . PHE 85 85 6725 1 . GLY 86 86 6725 1 . ASP 87 87 6725 1 . SER 88 88 6725 1 . TYR 89 89 6725 1 . ILE 90 90 6725 1 . ILE 91 91 6725 1 . ILE 92 92 6725 1 . GLY 93 93 6725 1 . VAL 94 94 6725 1 . GLU 95 95 6725 1 . PRO 96 96 6725 1 . GLY 97 97 6725 1 . GLN 98 98 6725 1 . LEU 99 99 6725 1 . LYS 100 100 6725 1 . LEU 101 101 6725 1 . ASN 102 102 6725 1 . TRP 103 103 6725 1 . PHE 104 104 6725 1 . LYS 105 105 6725 1 . LYS 106 106 6725 1 . GLY 107 107 6725 1 . SER 108 108 6725 1 . SER 109 109 6725 1 . LEU 110 110 6725 1 . GLU 111 111 6725 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 6725 _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 $Dengue_envelop_protein_domain_III . 11060 virus no . 'Dengue virus' . . Viruses . Flavivirus 'Dengue virus type 2' . . . . . . . . . . . . . 6725 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 6725 _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 $Dengue_envelop_protein_domain_III . 'recombinant technology' . 'E. Coli' . . . . . . . . . . . . . . 6725 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_DEN_E-D3 _Sample.Sf_category sample _Sample.Sf_framecode DEN_E-D3 _Sample.Entry_ID 6725 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '95 % H2O, 5% 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 'DEN E-D3' '[U-95% 13C; U-90% 15N]' . . 1 $Dengue_envelop_protein_domain_III . . 0.6 . . mM 0.1 . . . 6725 1 2 H2O . . . . . . . 95 . . % . . . . 6725 1 3 D2O . . . . . . . 5 . . % . . . . 6725 1 4 Na2HPO4 . . . . . . . 50 . . mM . . . . 6725 1 5 NaCL . . . . . . . 100 . . mM . . . . 6725 1 6 NaN3 . . . . . . . 10 . . mM . . . . 6725 1 7 EDTA . . . . . . . 0.1 . . mM . . . . 6725 1 stop_ save_ ####################### # Sample conditions # ####################### save_DEN_E-D3_NMR_buffer _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode DEN_E-D3_NMR_buffer _Sample_condition_list.Entry_ID 6725 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; Na2HPO4 50 mM NaCl 100mM NaN3 10 mM EDTA 0.1mM ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 pH 6725 1 temperature 293 0.1 K 6725 1 stop_ save_ ############################ # Computer software used # ############################ save_Xwinnmr _Software.Sf_category software _Software.Sf_framecode Xwinnmr _Software.Entry_ID 6725 _Software.ID 1 _Software.Name Xwinnmr _Software.Version 3.5 _Software.Details . save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6725 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . 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 6725 _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 6725 _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 no . . . . . . . . . . 1 $DEN_E-D3 . . . 1 $DEN_E-D3_NMR_buffer . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6725 1 2 HNCOCA no . . . . . . . . . . 1 $DEN_E-D3 . . . 1 $DEN_E-D3_NMR_buffer . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6725 1 3 HNCO no . . . . . . . . . . 1 $DEN_E-D3 . . . 1 $DEN_E-D3_NMR_buffer . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6725 1 4 HNCACO no . . . . . . . . . . 1 $DEN_E-D3 . . . 1 $DEN_E-D3_NMR_buffer . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6725 1 5 CBCACONH no . . . . . . . . . . 1 $DEN_E-D3 . . . 1 $DEN_E-D3_NMR_buffer . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6725 1 6 HNCACB no . . . . . . . . . . 1 $DEN_E-D3 . . . 1 $DEN_E-D3_NMR_buffer . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6725 1 7 HNHA no . . . . . . . . . . 1 $DEN_E-D3 . . . 1 $DEN_E-D3_NMR_buffer . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6725 1 8 HBHACONH no . . . . . . . . . . 1 $DEN_E-D3 . . . 1 $DEN_E-D3_NMR_buffer . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6725 1 9 HBHANH no . . . . . . . . . . 1 $DEN_E-D3 . . . 1 $DEN_E-D3_NMR_buffer . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6725 1 10 HC(CO)NH no . . . . . . . . . . 1 $DEN_E-D3 . . . 1 $DEN_E-D3_NMR_buffer . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6725 1 11 C(CO)NH no . . . . . . . . . . 1 $DEN_E-D3 . . . 1 $DEN_E-D3_NMR_buffer . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6725 1 12 HCCH-TOCSY no . . . . . . . . . . 1 $DEN_E-D3 . . . 1 $DEN_E-D3_NMR_buffer . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6725 1 13 '15N TOCSY-HSQC' no . . . . . . . . . . 1 $DEN_E-D3 . . . 1 $DEN_E-D3_NMR_buffer . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6725 1 14 '15N NOESY-HSQC' no . . . . . . . . . . 1 $DEN_E-D3 . . . 1 $DEN_E-D3_NMR_buffer . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6725 1 15 '1H15N HSQC' no . . . . . . . . . . 1 $DEN_E-D3 . . . 1 $DEN_E-D3_NMR_buffer . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6725 1 stop_ 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 6725 _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 . . . . . 6725 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 6725 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 6725 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_DEN_E-D3_chemical_shift_referencing _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode DEN_E-D3_chemical_shift_referencing _Assigned_chem_shift_list.Entry_ID 6725 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $DEN_E-D3_NMR_buffer _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 15 '1H15N HSQC' 1 $DEN_E-D3 isotropic 6725 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 . . 6725 1 2 $Sparky . . 6725 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 MET HA H 1 4.30 0.02 . 1 . . . . 1 MET HA . 6725 1 2 . 1 1 1 1 MET HB2 H 1 1.56 0.02 . 1 . . . . 1 MET HB2 . 6725 1 3 . 1 1 1 1 MET HB3 H 1 2.15 0.02 . 1 . . . . 1 MET HB3 . 6725 1 4 . 1 1 1 1 MET HG2 H 1 2.85 0.02 . 1 . . . . 1 MET HG2 . 6725 1 5 . 1 1 1 1 MET HG3 H 1 2.85 0.02 . 1 . . . . 1 MET HG3 . 6725 1 6 . 1 1 1 1 MET C C 13 173.50 0.1 . 1 . . . . 1 MET C . 6725 1 7 . 1 1 1 1 MET CA C 13 59.69 0.1 . 1 . . . . 1 MET CA . 6725 1 8 . 1 1 1 1 MET CB C 13 27.59 0.1 . 1 . . . . 1 MET CB . 6725 1 9 . 1 1 1 1 MET CG C 13 30.63 0.1 . 1 . . . . 1 MET CG . 6725 1 10 . 1 1 2 2 ASP H H 1 8.00 0.02 . 1 . . . . 2 ASP H . 6725 1 11 . 1 1 2 2 ASP HA H 1 4.96 0.02 . 1 . . . . 2 ASP HA . 6725 1 12 . 1 1 2 2 ASP HB2 H 1 2.41 0.02 . 2 . . . . 2 ASP HB2 . 6725 1 13 . 1 1 2 2 ASP HB3 H 1 2.79 0.02 . 2 . . . . 2 ASP HB3 . 6725 1 14 . 1 1 2 2 ASP C C 13 171.25 0.1 . 1 . . . . 2 ASP C . 6725 1 15 . 1 1 2 2 ASP CA C 13 55.19 0.1 . 1 . . . . 2 ASP CA . 6725 1 16 . 1 1 2 2 ASP CB C 13 40.24 0.1 . 1 . . . . 2 ASP CB . 6725 1 17 . 1 1 2 2 ASP N N 15 128.14 0.1 . 1 . . . . 2 ASP N . 6725 1 18 . 1 1 3 3 LYS H H 1 8.24 0.02 . 1 . . . . 3 LYS H . 6725 1 19 . 1 1 3 3 LYS HA H 1 4.04 0.02 . 1 . . . . 3 LYS HA . 6725 1 20 . 1 1 3 3 LYS HB2 H 1 1.55 0.02 . 2 . . . . 3 LYS HB2 . 6725 1 21 . 1 1 3 3 LYS HB3 H 1 1.75 0.02 . 2 . . . . 3 LYS HB3 . 6725 1 22 . 1 1 3 3 LYS HG2 H 1 1.40 0.02 . 1 . . . . 3 LYS HG2 . 6725 1 23 . 1 1 3 3 LYS HG3 H 1 1.40 0.02 . 1 . . . . 3 LYS HG3 . 6725 1 24 . 1 1 3 3 LYS HD2 H 1 1.63 0.02 . 1 . . . . 3 LYS HD2 . 6725 1 25 . 1 1 3 3 LYS HD3 H 1 1.63 0.02 . 1 . . . . 3 LYS HD3 . 6725 1 26 . 1 1 3 3 LYS HE2 H 1 2.84 0.02 . 1 . . . . 3 LYS HE2 . 6725 1 27 . 1 1 3 3 LYS HE3 H 1 2.84 0.02 . 1 . . . . 3 LYS HE3 . 6725 1 28 . 1 1 3 3 LYS C C 13 170.70 0.1 . 1 . . . . 3 LYS C . 6725 1 29 . 1 1 3 3 LYS CA C 13 52.35 0.1 . 1 . . . . 3 LYS CA . 6725 1 30 . 1 1 3 3 LYS CB C 13 32.24 0.1 . 1 . . . . 3 LYS CB . 6725 1 31 . 1 1 3 3 LYS CG C 13 21.86 0.1 . 1 . . . . 3 LYS CG . 6725 1 32 . 1 1 3 3 LYS CD C 13 24.27 0.1 . 1 . . . . 3 LYS CD . 6725 1 33 . 1 1 3 3 LYS CE C 13 39.69 0.1 . 1 . . . . 3 LYS CE . 6725 1 34 . 1 1 3 3 LYS N N 15 127.09 0.1 . 1 . . . . 3 LYS N . 6725 1 35 . 1 1 4 4 LEU H H 1 8.251 0.02 . 1 . . . . 4 LEU H . 6725 1 36 . 1 1 4 4 LEU HA H 1 4.246 0.02 . 1 . . . . 4 LEU HA . 6725 1 37 . 1 1 4 4 LEU HB2 H 1 1.507 0.02 . 1 . . . . 4 LEU HB2 . 6725 1 38 . 1 1 4 4 LEU HB3 H 1 1.507 0.02 . 1 . . . . 4 LEU HB3 . 6725 1 39 . 1 1 4 4 LEU HG H 1 1.453 0.02 . 1 . . . . 4 LEU HG . 6725 1 40 . 1 1 4 4 LEU HD11 H 1 0.79 0.02 . 2 . . . . 4 LEU HD1 . 6725 1 41 . 1 1 4 4 LEU HD12 H 1 0.79 0.02 . 2 . . . . 4 LEU HD1 . 6725 1 42 . 1 1 4 4 LEU HD13 H 1 0.79 0.02 . 2 . . . . 4 LEU HD1 . 6725 1 43 . 1 1 4 4 LEU HD21 H 1 0.74 0.02 . 2 . . . . 4 LEU HD2 . 6725 1 44 . 1 1 4 4 LEU HD22 H 1 0.74 0.02 . 2 . . . . 4 LEU HD2 . 6725 1 45 . 1 1 4 4 LEU HD23 H 1 0.74 0.02 . 2 . . . . 4 LEU HD2 . 6725 1 46 . 1 1 4 4 LEU C C 13 175.4 0.1 . 1 . . . . 4 LEU C . 6725 1 47 . 1 1 4 4 LEU CA C 13 52.58 0.1 . 1 . . . . 4 LEU CA . 6725 1 48 . 1 1 4 4 LEU CB C 13 39.62 0.1 . 1 . . . . 4 LEU CB . 6725 1 49 . 1 1 4 4 LEU CG C 13 27.9 0.1 . 1 . . . . 4 LEU CG . 6725 1 50 . 1 1 4 4 LEU CD1 C 13 22.87 0.1 . 1 . . . . 4 LEU CD1 . 6725 1 51 . 1 1 4 4 LEU CD2 C 13 22.87 0.1 . 1 . . . . 4 LEU CD2 . 6725 1 52 . 1 1 4 4 LEU N N 15 122.3 0.1 . 1 . . . . 4 LEU N . 6725 1 53 . 1 1 5 5 GLN H H 1 7.75 0.02 . 1 . . . . 5 GLN H . 6725 1 54 . 1 1 5 5 GLN HA H 1 3.976 0.02 . 1 . . . . 5 GLN HA . 6725 1 55 . 1 1 5 5 GLN HB2 H 1 1.915 0.02 . 2 . . . . 5 GLN HB2 . 6725 1 56 . 1 1 5 5 GLN HB3 H 1 1.743 0.02 . 2 . . . . 5 GLN HB3 . 6725 1 57 . 1 1 5 5 GLN HG2 H 1 2.053 0.02 . 1 . . . . 5 GLN HG2 . 6725 1 58 . 1 1 5 5 GLN HG3 H 1 2.053 0.02 . 1 . . . . 5 GLN HG3 . 6725 1 59 . 1 1 5 5 GLN C C 13 172.30 0.1 . 1 . . . . 5 GLN C . 6725 1 60 . 1 1 5 5 GLN CA C 13 55.75 0.1 . 1 . . . . 5 GLN CA . 6725 1 61 . 1 1 5 5 GLN CB C 13 27.72 0.1 . 1 . . . . 5 GLN CB . 6725 1 62 . 1 1 5 5 GLN N N 15 125.65 0.1 . 1 . . . . 5 GLN N . 6725 1 63 . 1 1 6 6 LEU H H 1 8.11 0.02 . 1 . . . . 6 LEU H . 6725 1 64 . 1 1 6 6 LEU HA H 1 4.16 0.02 . 1 . . . . 6 LEU HA . 6725 1 65 . 1 1 6 6 LEU HB2 H 1 1.44 0.02 . 1 . . . . 6 LEU HB2 . 6725 1 66 . 1 1 6 6 LEU HB3 H 1 1.44 0.02 . 1 . . . . 6 LEU HB3 . 6725 1 67 . 1 1 6 6 LEU HG H 1 1.28 0.02 . 1 . . . . 6 LEU HG . 6725 1 68 . 1 1 6 6 LEU HD11 H 1 0.78 0.02 . 2 . . . . 6 LEU HD1 . 6725 1 69 . 1 1 6 6 LEU HD12 H 1 0.78 0.02 . 2 . . . . 6 LEU HD1 . 6725 1 70 . 1 1 6 6 LEU HD13 H 1 0.78 0.02 . 2 . . . . 6 LEU HD1 . 6725 1 71 . 1 1 6 6 LEU HD21 H 1 0.73 0.02 . 2 . . . . 6 LEU HD2 . 6725 1 72 . 1 1 6 6 LEU HD22 H 1 0.73 0.02 . 2 . . . . 6 LEU HD2 . 6725 1 73 . 1 1 6 6 LEU HD23 H 1 0.73 0.02 . 2 . . . . 6 LEU HD2 . 6725 1 74 . 1 1 6 6 LEU C C 13 175.00 0.1 . 1 . . . . 6 LEU C . 6725 1 75 . 1 1 6 6 LEU CA C 13 52.72 0.1 . 1 . . . . 6 LEU CA . 6725 1 76 . 1 1 6 6 LEU CB C 13 39.52 0.1 . 1 . . . . 6 LEU CB . 6725 1 77 . 1 1 6 6 LEU CG C 13 24.34 0.1 . 1 . . . . 6 LEU CG . 6725 1 78 . 1 1 6 6 LEU CD1 C 13 21.98 0.1 . 1 . . . . 6 LEU CD1 . 6725 1 79 . 1 1 6 6 LEU CD2 C 13 20.54 0.1 . 1 . . . . 6 LEU CD2 . 6725 1 80 . 1 1 6 6 LEU N N 15 123.17 0.1 . 1 . . . . 6 LEU N . 6725 1 81 . 1 1 7 7 LYS H H 1 8.02 0.02 . 1 . . . . 7 LYS H . 6725 1 82 . 1 1 7 7 LYS HA H 1 4.06 0.02 . 1 . . . . 7 LYS HA . 6725 1 83 . 1 1 7 7 LYS HB2 H 1 1.72 0.02 . 2 . . . . 7 LYS HB2 . 6725 1 84 . 1 1 7 7 LYS HB3 H 1 1.98 0.02 . 2 . . . . 7 LYS HB3 . 6725 1 85 . 1 1 7 7 LYS HG2 H 1 1.44 0.02 . 1 . . . . 7 LYS HG2 . 6725 1 86 . 1 1 7 7 LYS HG3 H 1 1.44 0.02 . 1 . . . . 7 LYS HG3 . 6725 1 87 . 1 1 7 7 LYS HD2 H 1 1.48 0.02 . 1 . . . . 7 LYS HD2 . 6725 1 88 . 1 1 7 7 LYS HD3 H 1 1.48 0.02 . 1 . . . . 7 LYS HD3 . 6725 1 89 . 1 1 7 7 LYS HE2 H 1 3.06 0.02 . 1 . . . . 7 LYS HE2 . 6725 1 90 . 1 1 7 7 LYS HE3 H 1 3.06 0.02 . 1 . . . . 7 LYS HE3 . 6725 1 91 . 1 1 7 7 LYS C C 13 173.58 0.1 . 1 . . . . 7 LYS C . 6725 1 92 . 1 1 7 7 LYS CA C 13 53.75 0.1 . 1 . . . . 7 LYS CA . 6725 1 93 . 1 1 7 7 LYS CB C 13 27.74 0.1 . 1 . . . . 7 LYS CB . 6725 1 94 . 1 1 7 7 LYS CE C 13 42.70 0.1 . 1 . . . . 7 LYS CE . 6725 1 95 . 1 1 7 7 LYS N N 15 120.36 0.1 . 1 . . . . 7 LYS N . 6725 1 96 . 1 1 8 8 GLY H H 1 8.09 0.02 . 1 . . . . 8 GLY H . 6725 1 97 . 1 1 8 8 GLY HA2 H 1 4.10 0.02 . 2 . . . . 8 GLY HA2 . 6725 1 98 . 1 1 8 8 GLY HA3 H 1 4.08 0.02 . 2 . . . . 8 GLY HA3 . 6725 1 99 . 1 1 8 8 GLY C C 13 169.40 0.1 . 1 . . . . 8 GLY C . 6725 1 100 . 1 1 8 8 GLY CA C 13 42.55 0.1 . 1 . . . . 8 GLY CA . 6725 1 101 . 1 1 8 8 GLY N N 15 120.00 0.1 . 1 . . . . 8 GLY N . 6725 1 102 . 1 1 9 9 MET H H 1 8.42 0.02 . 1 . . . . 9 MET H . 6725 1 103 . 1 1 9 9 MET HA H 1 4.94 0.02 . 1 . . . . 9 MET HA . 6725 1 104 . 1 1 9 9 MET HB2 H 1 2.62 0.02 . 2 . . . . 9 MET HB2 . 6725 1 105 . 1 1 9 9 MET HB3 H 1 2.44 0.02 . 2 . . . . 9 MET HB3 . 6725 1 106 . 1 1 9 9 MET HG2 H 1 2.43 0.02 . 1 . . . . 9 MET HG2 . 6725 1 107 . 1 1 9 9 MET HG3 H 1 2.43 0.02 . 1 . . . . 9 MET HG3 . 6725 1 108 . 1 1 9 9 MET C C 13 176.56 0.1 . 1 . . . . 9 MET C . 6725 1 109 . 1 1 9 9 MET CA C 13 50.59 0.1 . 1 . . . . 9 MET CA . 6725 1 110 . 1 1 9 9 MET CB C 13 40.78 0.1 . 1 . . . . 9 MET CB . 6725 1 111 . 1 1 9 9 MET N N 15 117.60 0.1 . 1 . . . . 9 MET N . 6725 1 112 . 1 1 10 10 SER HA H 1 4.32 0.02 . 1 . . . . 10 SER HA . 6725 1 113 . 1 1 10 10 SER HB2 H 1 3.60 0.02 . 2 . . . . 10 SER HB2 . 6725 1 114 . 1 1 10 10 SER HB3 H 1 3.56 0.02 . 2 . . . . 10 SER HB3 . 6725 1 115 . 1 1 10 10 SER C C 13 171.47 0.1 . 1 . . . . 10 SER C . 6725 1 116 . 1 1 10 10 SER CA C 13 54.71 0.1 . 1 . . . . 10 SER CA . 6725 1 117 . 1 1 10 10 SER CB C 13 61.23 0.1 . 1 . . . . 10 SER CB . 6725 1 118 . 1 1 11 11 TYR H H 1 7.88 0.02 . 1 . . . . 11 TYR H . 6725 1 119 . 1 1 11 11 TYR HA H 1 4.61 0.02 . 1 . . . . 11 TYR HA . 6725 1 120 . 1 1 11 11 TYR HB2 H 1 3.01 0.02 . 2 . . . . 11 TYR HB2 . 6725 1 121 . 1 1 11 11 TYR HB3 H 1 2.48 0.02 . 2 . . . . 11 TYR HB3 . 6725 1 122 . 1 1 11 11 TYR C C 13 173.66 0.1 . 1 . . . . 11 TYR C . 6725 1 123 . 1 1 11 11 TYR CA C 13 54.45 0.1 . 1 . . . . 11 TYR CA . 6725 1 124 . 1 1 11 11 TYR CB C 13 37.83 0.1 . 1 . . . . 11 TYR CB . 6725 1 125 . 1 1 11 11 TYR N N 15 121.02 0.1 . 1 . . . . 11 TYR N . 6725 1 126 . 1 1 12 12 SER H H 1 8.94 0.02 . 1 . . . . 12 SER H . 6725 1 127 . 1 1 12 12 SER HA H 1 4.48 0.02 . 1 . . . . 12 SER HA . 6725 1 128 . 1 1 12 12 SER HB2 H 1 3.88 0.02 . 2 . . . . 12 SER HB2 . 6725 1 129 . 1 1 12 12 SER HB3 H 1 3.77 0.02 . 2 . . . . 12 SER HB3 . 6725 1 130 . 1 1 12 12 SER C C 13 172.00 0.1 . 1 . . . . 12 SER C . 6725 1 131 . 1 1 12 12 SER CA C 13 54.92 0.1 . 1 . . . . 12 SER CA . 6725 1 132 . 1 1 12 12 SER CB C 13 61.73 0.1 . 1 . . . . 12 SER CB . 6725 1 133 . 1 1 12 12 SER N N 15 117.27 0.1 . 1 . . . . 12 SER N . 6725 1 134 . 1 1 13 13 MET H H 1 8.60 0.02 . 1 . . . . 13 MET H . 6725 1 135 . 1 1 13 13 MET HA H 1 4.61 0.02 . 1 . . . . 13 MET HA . 6725 1 136 . 1 1 13 13 MET HB2 H 1 1.99 0.02 . 1 . . . . 13 MET HB2 . 6725 1 137 . 1 1 13 13 MET HB3 H 1 1.99 0.02 . 1 . . . . 13 MET HB3 . 6725 1 138 . 1 1 13 13 MET HG2 H 1 2.52 0.02 . 2 . . . . 13 MET HG2 . 6725 1 139 . 1 1 13 13 MET HG3 H 1 3.67 0.02 . 2 . . . . 13 MET HG3 . 6725 1 140 . 1 1 13 13 MET C C 13 175.68 0.1 . 1 . . . . 13 MET C . 6725 1 141 . 1 1 13 13 MET CA C 13 52.49 0.1 . 1 . . . . 13 MET CA . 6725 1 142 . 1 1 13 13 MET CB C 13 28.88 0.1 . 1 . . . . 13 MET CB . 6725 1 143 . 1 1 13 13 MET CG C 13 33.52 0.1 . 1 . . . . 13 MET CG . 6725 1 144 . 1 1 13 13 MET CE C 13 22.52 0.1 . 1 . . . . 13 MET CE . 6725 1 145 . 1 1 13 13 MET N N 15 120.13 0.1 . 1 . . . . 13 MET N . 6725 1 146 . 1 1 14 14 CYS H H 1 9.72 0.02 . 1 . . . . 14 CYS H . 6725 1 147 . 1 1 14 14 CYS HA H 1 4.70 0.02 . 1 . . . . 14 CYS HA . 6725 1 148 . 1 1 14 14 CYS HB2 H 1 2.38 0.02 . 2 . . . . 14 CYS HB2 . 6725 1 149 . 1 1 14 14 CYS HB3 H 1 2.96 0.02 . 2 . . . . 14 CYS HB3 . 6725 1 150 . 1 1 14 14 CYS C C 13 175.25 0.1 . 1 . . . . 14 CYS C . 6725 1 151 . 1 1 14 14 CYS CA C 13 52.02 0.1 . 1 . . . . 14 CYS CA . 6725 1 152 . 1 1 14 14 CYS CB C 13 37.39 0.1 . 1 . . . . 14 CYS CB . 6725 1 153 . 1 1 14 14 CYS N N 15 123.23 0.1 . 1 . . . . 14 CYS N . 6725 1 154 . 1 1 15 15 THR H H 1 8.95 0.02 . 1 . . . . 15 THR H . 6725 1 155 . 1 1 15 15 THR HA H 1 4.37 0.02 . 1 . . . . 15 THR HA . 6725 1 156 . 1 1 15 15 THR HB H 1 4.12 0.02 . 1 . . . . 15 THR HB . 6725 1 157 . 1 1 15 15 THR HG1 H 1 4.38 0.02 . 1 . . . . 15 THR HG1 . 6725 1 158 . 1 1 15 15 THR HG21 H 1 1.21 0.02 . 1 . . . . 15 THR HG2 . 6725 1 159 . 1 1 15 15 THR HG22 H 1 1.21 0.02 . 1 . . . . 15 THR HG2 . 6725 1 160 . 1 1 15 15 THR HG23 H 1 1.21 0.02 . 1 . . . . 15 THR HG2 . 6725 1 161 . 1 1 15 15 THR C C 13 174.01 0.1 . 1 . . . . 15 THR C . 6725 1 162 . 1 1 15 15 THR CA C 13 59.70 0.1 . 1 . . . . 15 THR CA . 6725 1 163 . 1 1 15 15 THR CB C 13 67.47 0.1 . 1 . . . . 15 THR CB . 6725 1 164 . 1 1 15 15 THR CG2 C 13 19.24 0.1 . 1 . . . . 15 THR CG2 . 6725 1 165 . 1 1 15 15 THR N N 15 113.28 0.1 . 1 . . . . 15 THR N . 6725 1 166 . 1 1 16 16 GLY H H 1 8.19 0.02 . 1 . . . . 16 GLY H . 6725 1 167 . 1 1 16 16 GLY HA2 H 1 4.41 0.02 . 2 . . . . 16 GLY HA2 . 6725 1 168 . 1 1 16 16 GLY HA3 H 1 3.47 0.02 . 2 . . . . 16 GLY HA3 . 6725 1 169 . 1 1 16 16 GLY C C 13 171.02 0.1 . 1 . . . . 16 GLY C . 6725 1 170 . 1 1 16 16 GLY CA C 13 42.10 0.1 . 1 . . . . 16 GLY CA . 6725 1 171 . 1 1 16 16 GLY N N 15 109.48 0.1 . 1 . . . . 16 GLY N . 6725 1 172 . 1 1 17 17 LYS H H 1 8.02 0.02 . 1 . . . . 17 LYS H . 6725 1 173 . 1 1 17 17 LYS HA H 1 4.42 0.02 . 1 . . . . 17 LYS HA . 6725 1 174 . 1 1 17 17 LYS HB2 H 1 1.49 0.02 . 2 . . . . 17 LYS HB2 . 6725 1 175 . 1 1 17 17 LYS HB3 H 1 1.67 0.02 . 2 . . . . 17 LYS HB3 . 6725 1 176 . 1 1 17 17 LYS HG2 H 1 1.31 0.02 . 2 . . . . 17 LYS HG2 . 6725 1 177 . 1 1 17 17 LYS HG3 H 1 1.27 0.02 . 2 . . . . 17 LYS HG3 . 6725 1 178 . 1 1 17 17 LYS HD2 H 1 1.56 0.02 . 2 . . . . 17 LYS HD2 . 6725 1 179 . 1 1 17 17 LYS HD3 H 1 1.57 0.02 . 2 . . . . 17 LYS HD3 . 6725 1 180 . 1 1 17 17 LYS HE2 H 1 2.87 0.02 . 1 . . . . 17 LYS HE2 . 6725 1 181 . 1 1 17 17 LYS HE3 H 1 2.87 0.02 . 1 . . . . 17 LYS HE3 . 6725 1 182 . 1 1 17 17 LYS C C 13 171.97 0.1 . 1 . . . . 17 LYS C . 6725 1 183 . 1 1 17 17 LYS CA C 13 53.91 0.1 . 1 . . . . 17 LYS CA . 6725 1 184 . 1 1 17 17 LYS CB C 13 32.12 0.1 . 1 . . . . 17 LYS CB . 6725 1 185 . 1 1 17 17 LYS CG C 13 22.79 0.1 . 1 . . . . 17 LYS CG . 6725 1 186 . 1 1 17 17 LYS CD C 13 26.46 0.1 . 1 . . . . 17 LYS CD . 6725 1 187 . 1 1 17 17 LYS CE C 13 41.85 0.1 . 1 . . . . 17 LYS CE . 6725 1 188 . 1 1 17 17 LYS N N 15 119.76 0.1 . 1 . . . . 17 LYS N . 6725 1 189 . 1 1 18 18 PHE H H 1 9.36 0.02 . 1 . . . . 18 PHE H . 6725 1 190 . 1 1 18 18 PHE HA H 1 5.05 0.02 . 1 . . . . 18 PHE HA . 6725 1 191 . 1 1 18 18 PHE HB2 H 1 2.80 0.02 . 2 . . . . 18 PHE HB2 . 6725 1 192 . 1 1 18 18 PHE HB3 H 1 2.59 0.02 . 2 . . . . 18 PHE HB3 . 6725 1 193 . 1 1 18 18 PHE C C 13 172.09 0.1 . 1 . . . . 18 PHE C . 6725 1 194 . 1 1 18 18 PHE CA C 13 54.64 0.1 . 1 . . . . 18 PHE CA . 6725 1 195 . 1 1 18 18 PHE CB C 13 40.73 0.1 . 1 . . . . 18 PHE CB . 6725 1 196 . 1 1 18 18 PHE N N 15 118.43 0.1 . 1 . . . . 18 PHE N . 6725 1 197 . 1 1 19 19 LYS H H 1 8.80 0.02 . 1 . . . . 19 LYS H . 6725 1 198 . 1 1 19 19 LYS HA H 1 4.68 0.02 . 1 . . . . 19 LYS HA . 6725 1 199 . 1 1 19 19 LYS HB2 H 1 1.47 0.02 . 2 . . . . 19 LYS HB2 . 6725 1 200 . 1 1 19 19 LYS HB3 H 1 1.59 0.02 . 2 . . . . 19 LYS HB3 . 6725 1 201 . 1 1 19 19 LYS HG2 H 1 1.16 0.02 . 1 . . . . 19 LYS HG2 . 6725 1 202 . 1 1 19 19 LYS HG3 H 1 1.16 0.02 . 1 . . . . 19 LYS HG3 . 6725 1 203 . 1 1 19 19 LYS HD2 H 1 1.22 0.02 . 1 . . . . 19 LYS HD2 . 6725 1 204 . 1 1 19 19 LYS HD3 H 1 1.22 0.02 . 1 . . . . 19 LYS HD3 . 6725 1 205 . 1 1 19 19 LYS HE2 H 1 2.70 0.02 . 1 . . . . 19 LYS HE2 . 6725 1 206 . 1 1 19 19 LYS HE3 H 1 2.70 0.02 . 1 . . . . 19 LYS HE3 . 6725 1 207 . 1 1 19 19 LYS C C 13 173.36 0.1 . 1 . . . . 19 LYS C . 6725 1 208 . 1 1 19 19 LYS CA C 13 51.79 0.1 . 1 . . . . 19 LYS CA . 6725 1 209 . 1 1 19 19 LYS CB C 13 33.52 0.1 . 1 . . . . 19 LYS CB . 6725 1 210 . 1 1 19 19 LYS CG C 13 21.40 0.1 . 1 . . . . 19 LYS CG . 6725 1 211 . 1 1 19 19 LYS CD C 13 26.26 0.1 . 1 . . . . 19 LYS CD . 6725 1 212 . 1 1 19 19 LYS CE C 13 39.42 0.1 . 1 . . . . 19 LYS CE . 6725 1 213 . 1 1 19 19 LYS N N 15 116.54 0.1 . 1 . . . . 19 LYS N . 6725 1 214 . 1 1 20 20 VAL H H 1 8.84 0.02 . 1 . . . . 20 VAL H . 6725 1 215 . 1 1 20 20 VAL HA H 1 4.29 0.02 . 1 . . . . 20 VAL HA . 6725 1 216 . 1 1 20 20 VAL HB H 1 1.93 0.02 . 1 . . . . 20 VAL HB . 6725 1 217 . 1 1 20 20 VAL HG11 H 1 0.88 0.02 . 2 . . . . 20 VAL HG1 . 6725 1 218 . 1 1 20 20 VAL HG12 H 1 0.88 0.02 . 2 . . . . 20 VAL HG1 . 6725 1 219 . 1 1 20 20 VAL HG13 H 1 0.88 0.02 . 2 . . . . 20 VAL HG1 . 6725 1 220 . 1 1 20 20 VAL HG21 H 1 0.93 0.02 . 2 . . . . 20 VAL HG2 . 6725 1 221 . 1 1 20 20 VAL HG22 H 1 0.93 0.02 . 2 . . . . 20 VAL HG2 . 6725 1 222 . 1 1 20 20 VAL HG23 H 1 0.93 0.02 . 2 . . . . 20 VAL HG2 . 6725 1 223 . 1 1 20 20 VAL C C 13 175.08 0.1 . 1 . . . . 20 VAL C . 6725 1 224 . 1 1 20 20 VAL CA C 13 60.44 0.1 . 1 . . . . 20 VAL CA . 6725 1 225 . 1 1 20 20 VAL CB C 13 29.51 0.1 . 1 . . . . 20 VAL CB . 6725 1 226 . 1 1 20 20 VAL CG1 C 13 19.20 0.1 . 1 . . . . 20 VAL CG1 . 6725 1 227 . 1 1 20 20 VAL CG2 C 13 19.20 0.1 . 1 . . . . 20 VAL CG2 . 6725 1 228 . 1 1 20 20 VAL N N 15 124.03 0.1 . 1 . . . . 20 VAL N . 6725 1 229 . 1 1 21 21 VAL H H 1 8.35 0.02 . 1 . . . . 21 VAL H . 6725 1 230 . 1 1 21 21 VAL HA H 1 4.25 0.02 . 1 . . . . 21 VAL HA . 6725 1 231 . 1 1 21 21 VAL HB H 1 2.09 0.02 . 1 . . . . 21 VAL HB . 6725 1 232 . 1 1 21 21 VAL HG11 H 1 0.85 0.02 . 2 . . . . 21 VAL HG1 . 6725 1 233 . 1 1 21 21 VAL HG12 H 1 0.85 0.02 . 2 . . . . 21 VAL HG1 . 6725 1 234 . 1 1 21 21 VAL HG13 H 1 0.85 0.02 . 2 . . . . 21 VAL HG1 . 6725 1 235 . 1 1 21 21 VAL HG21 H 1 0.90 0.02 . 2 . . . . 21 VAL HG2 . 6725 1 236 . 1 1 21 21 VAL HG22 H 1 0.90 0.02 . 2 . . . . 21 VAL HG2 . 6725 1 237 . 1 1 21 21 VAL HG23 H 1 0.90 0.02 . 2 . . . . 21 VAL HG2 . 6725 1 238 . 1 1 21 21 VAL C C 13 172.82 0.1 . 1 . . . . 21 VAL C . 6725 1 239 . 1 1 21 21 VAL CA C 13 59.60 0.1 . 1 . . . . 21 VAL CA . 6725 1 240 . 1 1 21 21 VAL CB C 13 29.64 0.1 . 1 . . . . 21 VAL CB . 6725 1 241 . 1 1 21 21 VAL CG1 C 13 19.23 0.1 . 1 . . . . 21 VAL CG1 . 6725 1 242 . 1 1 21 21 VAL CG2 C 13 17.30 0.1 . 1 . . . . 21 VAL CG2 . 6725 1 243 . 1 1 21 21 VAL N N 15 120.90 0.1 . 1 . . . . 21 VAL N . 6725 1 244 . 1 1 22 22 LYS H H 1 7.54 0.02 . 1 . . . . 22 LYS H . 6725 1 245 . 1 1 22 22 LYS HA H 1 4.38 0.02 . 1 . . . . 22 LYS HA . 6725 1 246 . 1 1 22 22 LYS HB2 H 1 1.74 0.02 . 2 . . . . 22 LYS HB2 . 6725 1 247 . 1 1 22 22 LYS HB3 H 1 1.69 0.02 . 2 . . . . 22 LYS HB3 . 6725 1 248 . 1 1 22 22 LYS HG2 H 1 1.39 0.02 . 1 . . . . 22 LYS HG2 . 6725 1 249 . 1 1 22 22 LYS HG3 H 1 1.39 0.02 . 1 . . . . 22 LYS HG3 . 6725 1 250 . 1 1 22 22 LYS HD2 H 1 1.57 0.02 . 1 . . . . 22 LYS HD2 . 6725 1 251 . 1 1 22 22 LYS HD3 H 1 1.57 0.02 . 1 . . . . 22 LYS HD3 . 6725 1 252 . 1 1 22 22 LYS HE2 H 1 2.87 0.02 . 1 . . . . 22 LYS HE2 . 6725 1 253 . 1 1 22 22 LYS HE3 H 1 2.87 0.02 . 1 . . . . 22 LYS HE3 . 6725 1 254 . 1 1 22 22 LYS C C 13 172.47 0.1 . 1 . . . . 22 LYS C . 6725 1 255 . 1 1 22 22 LYS CA C 13 52.99 0.1 . 1 . . . . 22 LYS CA . 6725 1 256 . 1 1 22 22 LYS CB C 13 32.86 0.1 . 1 . . . . 22 LYS CB . 6725 1 257 . 1 1 22 22 LYS CG C 13 21.81 0.1 . 1 . . . . 22 LYS CG . 6725 1 258 . 1 1 22 22 LYS CD C 13 26.18 0.1 . 1 . . . . 22 LYS CD . 6725 1 259 . 1 1 22 22 LYS CE C 13 38.93 0.1 . 1 . . . . 22 LYS CE . 6725 1 260 . 1 1 22 22 LYS N N 15 119.42 0.1 . 1 . . . . 22 LYS N . 6725 1 261 . 1 1 23 23 GLU H H 1 8.58 0.02 . 1 . . . . 23 GLU H . 6725 1 262 . 1 1 23 23 GLU HA H 1 4.12 0.02 . 1 . . . . 23 GLU HA . 6725 1 263 . 1 1 23 23 GLU HB2 H 1 2.01 0.02 . 2 . . . . 23 GLU HB2 . 6725 1 264 . 1 1 23 23 GLU HB3 H 1 1.90 0.02 . 2 . . . . 23 GLU HB3 . 6725 1 265 . 1 1 23 23 GLU HG2 H 1 2.30 0.02 . 2 . . . . 23 GLU HG2 . 6725 1 266 . 1 1 23 23 GLU HG3 H 1 2.72 0.02 . 2 . . . . 23 GLU HG3 . 6725 1 267 . 1 1 23 23 GLU C C 13 174.49 0.1 . 1 . . . . 23 GLU C . 6725 1 268 . 1 1 23 23 GLU CA C 13 54.42 0.1 . 1 . . . . 23 GLU CA . 6725 1 269 . 1 1 23 23 GLU CB C 13 27.06 0.1 . 1 . . . . 23 GLU CB . 6725 1 270 . 1 1 23 23 GLU CG C 13 33.59 0.1 . 1 . . . . 23 GLU CG . 6725 1 271 . 1 1 23 23 GLU N N 15 122.41 0.1 . 1 . . . . 23 GLU N . 6725 1 272 . 1 1 24 24 ILE H H 1 8.65 0.02 . 1 . . . . 24 ILE H . 6725 1 273 . 1 1 24 24 ILE HA H 1 3.67 0.02 . 1 . . . . 24 ILE HA . 6725 1 274 . 1 1 24 24 ILE HB H 1 1.64 0.02 . 1 . . . . 24 ILE HB . 6725 1 275 . 1 1 24 24 ILE HG12 H 1 0.98 0.02 . 1 . . . . 24 ILE HG12 . 6725 1 276 . 1 1 24 24 ILE HG13 H 1 0.98 0.02 . 1 . . . . 24 ILE HG13 . 6725 1 277 . 1 1 24 24 ILE HG21 H 1 0.74 0.02 . 1 . . . . 24 ILE HG2 . 6725 1 278 . 1 1 24 24 ILE HG22 H 1 0.74 0.02 . 1 . . . . 24 ILE HG2 . 6725 1 279 . 1 1 24 24 ILE HG23 H 1 0.74 0.02 . 1 . . . . 24 ILE HG2 . 6725 1 280 . 1 1 24 24 ILE HD11 H 1 0.71 0.02 . 1 . . . . 24 ILE HD1 . 6725 1 281 . 1 1 24 24 ILE HD12 H 1 0.71 0.02 . 1 . . . . 24 ILE HD1 . 6725 1 282 . 1 1 24 24 ILE HD13 H 1 0.71 0.02 . 1 . . . . 24 ILE HD1 . 6725 1 283 . 1 1 24 24 ILE C C 13 172.70 0.1 . 1 . . . . 24 ILE C . 6725 1 284 . 1 1 24 24 ILE CA C 13 61.40 0.1 . 1 . . . . 24 ILE CA . 6725 1 285 . 1 1 24 24 ILE CB C 13 35.41 0.1 . 1 . . . . 24 ILE CB . 6725 1 286 . 1 1 24 24 ILE CG1 C 13 26.70 0.1 . 1 . . . . 24 ILE CG1 . 6725 1 287 . 1 1 24 24 ILE CG2 C 13 15.66 0.1 . 1 . . . . 24 ILE CG2 . 6725 1 288 . 1 1 24 24 ILE CD1 C 13 11.28 0.1 . 1 . . . . 24 ILE CD1 . 6725 1 289 . 1 1 24 24 ILE N N 15 125.03 0.1 . 1 . . . . 24 ILE N . 6725 1 290 . 1 1 25 25 ALA H H 1 7.81 0.02 . 1 . . . . 25 ALA H . 6725 1 291 . 1 1 25 25 ALA HA H 1 4.67 0.02 . 1 . . . . 25 ALA HA . 6725 1 292 . 1 1 25 25 ALA HB1 H 1 1.24 0.02 . 1 . . . . 25 ALA HB . 6725 1 293 . 1 1 25 25 ALA HB2 H 1 1.24 0.02 . 1 . . . . 25 ALA HB . 6725 1 294 . 1 1 25 25 ALA HB3 H 1 1.24 0.02 . 1 . . . . 25 ALA HB . 6725 1 295 . 1 1 25 25 ALA C C 13 173.52 0.1 . 1 . . . . 25 ALA C . 6725 1 296 . 1 1 25 25 ALA CA C 13 47.79 0.1 . 1 . . . . 25 ALA CA . 6725 1 297 . 1 1 25 25 ALA CB C 13 19.13 0.1 . 1 . . . . 25 ALA CB . 6725 1 298 . 1 1 25 25 ALA N N 15 129.19 0.1 . 1 . . . . 25 ALA N . 6725 1 299 . 1 1 26 26 GLU H H 1 8.67 0.02 . 1 . . . . 26 GLU H . 6725 1 300 . 1 1 26 26 GLU HA H 1 4.88 0.02 . 1 . . . . 26 GLU HA . 6725 1 301 . 1 1 26 26 GLU HB2 H 1 2.00 0.02 . 2 . . . . 26 GLU HB2 . 6725 1 302 . 1 1 26 26 GLU HB3 H 1 2.15 0.02 . 2 . . . . 26 GLU HB3 . 6725 1 303 . 1 1 26 26 GLU HG2 H 1 2.49 0.02 . 2 . . . . 26 GLU HG2 . 6725 1 304 . 1 1 26 26 GLU HG3 H 1 2.35 0.02 . 2 . . . . 26 GLU HG3 . 6725 1 305 . 1 1 26 26 GLU C C 13 175.35 0.1 . 1 . . . . 26 GLU C . 6725 1 306 . 1 1 26 26 GLU CA C 13 52.70 0.1 . 1 . . . . 26 GLU CA . 6725 1 307 . 1 1 26 26 GLU CB C 13 29.38 0.1 . 1 . . . . 26 GLU CB . 6725 1 308 . 1 1 26 26 GLU CG C 13 34.80 0.1 . 1 . . . . 26 GLU CG . 6725 1 309 . 1 1 26 26 GLU N N 15 120.80 0.1 . 1 . . . . 26 GLU N . 6725 1 310 . 1 1 27 27 THR H H 1 8.45 0.02 . 1 . . . . 27 THR H . 6725 1 311 . 1 1 27 27 THR HA H 1 4.39 0.02 . 1 . . . . 27 THR HA . 6725 1 312 . 1 1 27 27 THR HB H 1 4.17 0.02 . 1 . . . . 27 THR HB . 6725 1 313 . 1 1 27 27 THR HG1 H 1 4.40 0.02 . 1 . . . . 27 THR HG1 . 6725 1 314 . 1 1 27 27 THR HG21 H 1 0.80 0.02 . 1 . . . . 27 THR HG2 . 6725 1 315 . 1 1 27 27 THR HG22 H 1 0.80 0.02 . 1 . . . . 27 THR HG2 . 6725 1 316 . 1 1 27 27 THR HG23 H 1 0.80 0.02 . 1 . . . . 27 THR HG2 . 6725 1 317 . 1 1 27 27 THR C C 13 173.96 0.1 . 1 . . . . 27 THR C . 6725 1 318 . 1 1 27 27 THR CA C 13 57.72 0.1 . 1 . . . . 27 THR CA . 6725 1 319 . 1 1 27 27 THR CB C 13 68.90 0.1 . 1 . . . . 27 THR CB . 6725 1 320 . 1 1 27 27 THR N N 15 114.96 0.1 . 1 . . . . 27 THR N . 6725 1 321 . 1 1 28 28 GLN HA H 1 4.15 0.02 . 1 . . . . 28 GLN HA . 6725 1 322 . 1 1 28 28 GLN HB2 H 1 1.88 0.02 . 2 . . . . 28 GLN HB2 . 6725 1 323 . 1 1 28 28 GLN HB3 H 1 2.02 0.02 . 2 . . . . 28 GLN HB3 . 6725 1 324 . 1 1 28 28 GLN HG2 H 1 2.14 0.02 . 1 . . . . 28 GLN HG2 . 6725 1 325 . 1 1 28 28 GLN HG3 H 1 2.14 0.02 . 1 . . . . 28 GLN HG3 . 6725 1 326 . 1 1 28 28 GLN C C 13 173.62 0.1 . 1 . . . . 28 GLN C . 6725 1 327 . 1 1 28 28 GLN CA C 13 54.46 0.1 . 1 . . . . 28 GLN CA . 6725 1 328 . 1 1 28 28 GLN CB C 13 25.53 0.1 . 1 . . . . 28 GLN CB . 6725 1 329 . 1 1 28 28 GLN CG C 13 31.22 0.1 . 1 . . . . 28 GLN CG . 6725 1 330 . 1 1 29 29 HIS H H 1 7.48 0.02 . 1 . . . . 29 HIS H . 6725 1 331 . 1 1 29 29 HIS HA H 1 4.79 0.02 . 1 . . . . 29 HIS HA . 6725 1 332 . 1 1 29 29 HIS HB2 H 1 2.94 0.02 . 2 . . . . 29 HIS HB2 . 6725 1 333 . 1 1 29 29 HIS HB3 H 1 3.07 0.02 . 2 . . . . 29 HIS HB3 . 6725 1 334 . 1 1 29 29 HIS C C 13 173.57 0.1 . 1 . . . . 29 HIS C . 6725 1 335 . 1 1 29 29 HIS CA C 13 52.46 0.1 . 1 . . . . 29 HIS CA . 6725 1 336 . 1 1 29 29 HIS CB C 13 27.17 0.1 . 1 . . . . 29 HIS CB . 6725 1 337 . 1 1 29 29 HIS N N 15 114.40 0.1 . 1 . . . . 29 HIS N . 6725 1 338 . 1 1 30 30 GLY H H 1 7.73 0.02 . 1 . . . . 30 GLY H . 6725 1 339 . 1 1 30 30 GLY HA2 H 1 3.97 0.02 . 2 . . . . 30 GLY HA2 . 6725 1 340 . 1 1 30 30 GLY HA3 H 1 3.72 0.02 . 2 . . . . 30 GLY HA3 . 6725 1 341 . 1 1 30 30 GLY C C 13 172.63 0.1 . 1 . . . . 30 GLY C . 6725 1 342 . 1 1 30 30 GLY CA C 13 43.91 0.1 . 1 . . . . 30 GLY CA . 6725 1 343 . 1 1 30 30 GLY N N 15 107.15 0.1 . 1 . . . . 30 GLY N . 6725 1 344 . 1 1 31 31 THR H H 1 6.85 0.02 . 1 . . . . 31 THR H . 6725 1 345 . 1 1 31 31 THR HA H 1 4.68 0.02 . 1 . . . . 31 THR HA . 6725 1 346 . 1 1 31 31 THR HB H 1 4.27 0.02 . 1 . . . . 31 THR HB . 6725 1 347 . 1 1 31 31 THR HG1 H 1 4.86 0.02 . 1 . . . . 31 THR HG1 . 6725 1 348 . 1 1 31 31 THR HG21 H 1 0.86 0.02 . 1 . . . . 31 THR HG2 . 6725 1 349 . 1 1 31 31 THR HG22 H 1 0.86 0.02 . 1 . . . . 31 THR HG2 . 6725 1 350 . 1 1 31 31 THR HG23 H 1 0.86 0.02 . 1 . . . . 31 THR HG2 . 6725 1 351 . 1 1 31 31 THR C C 13 170.97 0.1 . 1 . . . . 31 THR C . 6725 1 352 . 1 1 31 31 THR CA C 13 56.28 0.1 . 1 . . . . 31 THR CA . 6725 1 353 . 1 1 31 31 THR CB C 13 68.03 0.1 . 1 . . . . 31 THR CB . 6725 1 354 . 1 1 31 31 THR CG2 C 13 20.15 0.1 . 1 . . . . 31 THR CG2 . 6725 1 355 . 1 1 31 31 THR N N 15 108.19 0.1 . 1 . . . . 31 THR N . 6725 1 356 . 1 1 32 32 ILE H H 1 8.84 0.02 . 1 . . . . 32 ILE H . 6725 1 357 . 1 1 32 32 ILE HA H 1 5.25 0.02 . 1 . . . . 32 ILE HA . 6725 1 358 . 1 1 32 32 ILE HB H 1 1.05 0.02 . 1 . . . . 32 ILE HB . 6725 1 359 . 1 1 32 32 ILE HG12 H 1 0.74 0.02 . 1 . . . . 32 ILE HG12 . 6725 1 360 . 1 1 32 32 ILE HG13 H 1 0.74 0.02 . 1 . . . . 32 ILE HG13 . 6725 1 361 . 1 1 32 32 ILE C C 13 172.17 0.1 . 1 . . . . 32 ILE C . 6725 1 362 . 1 1 32 32 ILE CA C 13 56.08 0.1 . 1 . . . . 32 ILE CA . 6725 1 363 . 1 1 32 32 ILE CB C 13 38.61 0.1 . 1 . . . . 32 ILE CB . 6725 1 364 . 1 1 32 32 ILE CG1 C 13 22.11 0.1 . 1 . . . . 32 ILE CG1 . 6725 1 365 . 1 1 32 32 ILE CG2 C 13 15.75 0.1 . 1 . . . . 32 ILE CG2 . 6725 1 366 . 1 1 32 32 ILE CD1 C 13 10.71 0.1 . 1 . . . . 32 ILE CD1 . 6725 1 367 . 1 1 32 32 ILE N N 15 111.34 0.1 . 1 . . . . 32 ILE N . 6725 1 368 . 1 1 33 33 VAL H H 1 8.57 0.02 . 1 . . . . 33 VAL H . 6725 1 369 . 1 1 33 33 VAL HA H 1 4.76 0.02 . 1 . . . . 33 VAL HA . 6725 1 370 . 1 1 33 33 VAL HB H 1 1.63 0.02 . 1 . . . . 33 VAL HB . 6725 1 371 . 1 1 33 33 VAL HG11 H 1 0.52 0.02 . 2 . . . . 33 VAL HG1 . 6725 1 372 . 1 1 33 33 VAL HG12 H 1 0.52 0.02 . 2 . . . . 33 VAL HG1 . 6725 1 373 . 1 1 33 33 VAL HG13 H 1 0.52 0.02 . 2 . . . . 33 VAL HG1 . 6725 1 374 . 1 1 33 33 VAL HG21 H 1 0.52 0.02 . 2 . . . . 33 VAL HG2 . 6725 1 375 . 1 1 33 33 VAL HG22 H 1 0.52 0.02 . 2 . . . . 33 VAL HG2 . 6725 1 376 . 1 1 33 33 VAL HG23 H 1 0.52 0.02 . 2 . . . . 33 VAL HG2 . 6725 1 377 . 1 1 33 33 VAL C C 13 173.17 0.1 . 1 . . . . 33 VAL C . 6725 1 378 . 1 1 33 33 VAL CA C 13 58.19 0.1 . 1 . . . . 33 VAL CA . 6725 1 379 . 1 1 33 33 VAL CB C 13 31.35 0.1 . 1 . . . . 33 VAL CB . 6725 1 380 . 1 1 33 33 VAL CG1 C 13 18.06 0.1 . 1 . . . . 33 VAL CG1 . 6725 1 381 . 1 1 33 33 VAL CG2 C 13 18.06 0.1 . 1 . . . . 33 VAL CG2 . 6725 1 382 . 1 1 33 33 VAL N N 15 119.20 0.1 . 1 . . . . 33 VAL N . 6725 1 383 . 1 1 34 34 ILE H H 1 9.15 0.02 . 1 . . . . 34 ILE H . 6725 1 384 . 1 1 34 34 ILE HA H 1 4.29 0.02 . 1 . . . . 34 ILE HA . 6725 1 385 . 1 1 34 34 ILE HB H 1 1.45 0.02 . 1 . . . . 34 ILE HB . 6725 1 386 . 1 1 34 34 ILE HG12 H 1 1.33 0.02 . 2 . . . . 34 ILE HG12 . 6725 1 387 . 1 1 34 34 ILE HG13 H 1 1.32 0.02 . 2 . . . . 34 ILE HG13 . 6725 1 388 . 1 1 34 34 ILE HG21 H 1 0.79 0.02 . 1 . . . . 34 ILE HG2 . 6725 1 389 . 1 1 34 34 ILE HG22 H 1 0.79 0.02 . 1 . . . . 34 ILE HG2 . 6725 1 390 . 1 1 34 34 ILE HG23 H 1 0.79 0.02 . 1 . . . . 34 ILE HG2 . 6725 1 391 . 1 1 34 34 ILE HD11 H 1 0.54 0.02 . 1 . . . . 34 ILE HD1 . 6725 1 392 . 1 1 34 34 ILE HD12 H 1 0.54 0.02 . 1 . . . . 34 ILE HD1 . 6725 1 393 . 1 1 34 34 ILE HD13 H 1 0.54 0.02 . 1 . . . . 34 ILE HD1 . 6725 1 394 . 1 1 34 34 ILE C C 13 170.33 0.1 . 1 . . . . 34 ILE C . 6725 1 395 . 1 1 34 34 ILE CA C 13 56.94 0.1 . 1 . . . . 34 ILE CA . 6725 1 396 . 1 1 34 34 ILE CB C 13 38.98 0.1 . 1 . . . . 34 ILE CB . 6725 1 397 . 1 1 34 34 ILE CD1 C 13 12.83 0.1 . 1 . . . . 34 ILE CD1 . 6725 1 398 . 1 1 34 34 ILE N N 15 129.70 0.1 . 1 . . . . 34 ILE N . 6725 1 399 . 1 1 35 35 ARG H H 1 8.91 0.02 . 1 . . . . 35 ARG H . 6725 1 400 . 1 1 35 35 ARG HA H 1 5.29 0.02 . 1 . . . . 35 ARG HA . 6725 1 401 . 1 1 35 35 ARG HB2 H 1 1.59 0.02 . 2 . . . . 35 ARG HB2 . 6725 1 402 . 1 1 35 35 ARG HB3 H 1 1.44 0.02 . 2 . . . . 35 ARG HB3 . 6725 1 403 . 1 1 35 35 ARG HG2 H 1 1.01 0.02 . 1 . . . . 35 ARG HG2 . 6725 1 404 . 1 1 35 35 ARG HG3 H 1 1.01 0.02 . 1 . . . . 35 ARG HG3 . 6725 1 405 . 1 1 35 35 ARG HD2 H 1 2.44 0.02 . 1 . . . . 35 ARG HD2 . 6725 1 406 . 1 1 35 35 ARG HD3 H 1 2.44 0.02 . 1 . . . . 35 ARG HD3 . 6725 1 407 . 1 1 35 35 ARG C C 13 173.51 0.1 . 1 . . . . 35 ARG C . 6725 1 408 . 1 1 35 35 ARG CA C 13 52.25 0.1 . 1 . . . . 35 ARG CA . 6725 1 409 . 1 1 35 35 ARG CB C 13 29.62 0.1 . 1 . . . . 35 ARG CB . 6725 1 410 . 1 1 35 35 ARG CG C 13 24.66 0.1 . 1 . . . . 35 ARG CG . 6725 1 411 . 1 1 35 35 ARG CD C 13 41.25 0.1 . 1 . . . . 35 ARG CD . 6725 1 412 . 1 1 35 35 ARG N N 15 129.74 0.1 . 1 . . . . 35 ARG N . 6725 1 413 . 1 1 36 36 VAL H H 1 8.76 0.02 . 1 . . . . 36 VAL H . 6725 1 414 . 1 1 36 36 VAL HA H 1 5.49 0.02 . 1 . . . . 36 VAL HA . 6725 1 415 . 1 1 36 36 VAL HB H 1 2.08 0.02 . 1 . . . . 36 VAL HB . 6725 1 416 . 1 1 36 36 VAL HG11 H 1 0.71 0.02 . 2 . . . . 36 VAL HG1 . 6725 1 417 . 1 1 36 36 VAL HG12 H 1 0.71 0.02 . 2 . . . . 36 VAL HG1 . 6725 1 418 . 1 1 36 36 VAL HG13 H 1 0.71 0.02 . 2 . . . . 36 VAL HG1 . 6725 1 419 . 1 1 36 36 VAL HG21 H 1 0.71 0.02 . 2 . . . . 36 VAL HG2 . 6725 1 420 . 1 1 36 36 VAL HG22 H 1 0.71 0.02 . 2 . . . . 36 VAL HG2 . 6725 1 421 . 1 1 36 36 VAL HG23 H 1 0.71 0.02 . 2 . . . . 36 VAL HG2 . 6725 1 422 . 1 1 36 36 VAL C C 13 171.61 0.1 . 1 . . . . 36 VAL C . 6725 1 423 . 1 1 36 36 VAL CA C 13 55.50 0.1 . 1 . . . . 36 VAL CA . 6725 1 424 . 1 1 36 36 VAL CB C 13 33.30 0.1 . 1 . . . . 36 VAL CB . 6725 1 425 . 1 1 36 36 VAL CG1 C 13 19.20 0.1 . 1 . . . . 36 VAL CG1 . 6725 1 426 . 1 1 36 36 VAL CG2 C 13 15.85 0.1 . 1 . . . . 36 VAL CG2 . 6725 1 427 . 1 1 36 36 VAL N N 15 117.59 0.1 . 1 . . . . 36 VAL N . 6725 1 428 . 1 1 37 37 GLN H H 1 9.24 0.02 . 1 . . . . 37 GLN H . 6725 1 429 . 1 1 37 37 GLN HA H 1 4.74 0.02 . 1 . . . . 37 GLN HA . 6725 1 430 . 1 1 37 37 GLN HB2 H 1 2.11 0.02 . 2 . . . . 37 GLN HB2 . 6725 1 431 . 1 1 37 37 GLN HB3 H 1 1.69 0.02 . 2 . . . . 37 GLN HB3 . 6725 1 432 . 1 1 37 37 GLN HG2 H 1 2.95 0.02 . 2 . . . . 37 GLN HG2 . 6725 1 433 . 1 1 37 37 GLN HG3 H 1 2.46 0.02 . 2 . . . . 37 GLN HG3 . 6725 1 434 . 1 1 37 37 GLN C C 13 171.61 0.1 . 1 . . . . 37 GLN C . 6725 1 435 . 1 1 37 37 GLN CA C 13 51.65 0.1 . 1 . . . . 37 GLN CA . 6725 1 436 . 1 1 37 37 GLN CB C 13 30.57 0.1 . 1 . . . . 37 GLN CB . 6725 1 437 . 1 1 37 37 GLN N N 15 119.98 0.1 . 1 . . . . 37 GLN N . 6725 1 438 . 1 1 38 38 TYR H H 1 9.45 0.02 . 1 . . . . 38 TYR H . 6725 1 439 . 1 1 38 38 TYR HA H 1 4.28 0.02 . 1 . . . . 38 TYR HA . 6725 1 440 . 1 1 38 38 TYR HB2 H 1 2.59 0.02 . 2 . . . . 38 TYR HB2 . 6725 1 441 . 1 1 38 38 TYR HB3 H 1 2.69 0.02 . 2 . . . . 38 TYR HB3 . 6725 1 442 . 1 1 38 38 TYR C C 13 172.36 0.1 . 1 . . . . 38 TYR C . 6725 1 443 . 1 1 38 38 TYR CA C 13 53.32 0.1 . 1 . . . . 38 TYR CA . 6725 1 444 . 1 1 38 38 TYR CB C 13 38.74 0.1 . 1 . . . . 38 TYR CB . 6725 1 445 . 1 1 38 38 TYR N N 15 126.97 0.1 . 1 . . . . 38 TYR N . 6725 1 446 . 1 1 39 39 GLU H H 1 8.35 0.02 . 1 . . . . 39 GLU H . 6725 1 447 . 1 1 39 39 GLU HA H 1 4.17 0.02 . 1 . . . . 39 GLU HA . 6725 1 448 . 1 1 39 39 GLU HB2 H 1 1.71 0.02 . 2 . . . . 39 GLU HB2 . 6725 1 449 . 1 1 39 39 GLU HB3 H 1 1.68 0.02 . 2 . . . . 39 GLU HB3 . 6725 1 450 . 1 1 39 39 GLU HG2 H 1 2.25 0.02 . 2 . . . . 39 GLU HG2 . 6725 1 451 . 1 1 39 39 GLU HG3 H 1 2.12 0.02 . 2 . . . . 39 GLU HG3 . 6725 1 452 . 1 1 39 39 GLU C C 13 174.78 0.1 . 1 . . . . 39 GLU C . 6725 1 453 . 1 1 39 39 GLU CA C 13 53.76 0.1 . 1 . . . . 39 GLU CA . 6725 1 454 . 1 1 39 39 GLU CB C 13 30.17 0.1 . 1 . . . . 39 GLU CB . 6725 1 455 . 1 1 39 39 GLU N N 15 122.80 0.1 . 1 . . . . 39 GLU N . 6725 1 456 . 1 1 40 40 GLY H H 1 8.38 0.02 . 1 . . . . 40 GLY H . 6725 1 457 . 1 1 40 40 GLY HA2 H 1 3.92 0.02 . 2 . . . . 40 GLY HA2 . 6725 1 458 . 1 1 40 40 GLY HA3 H 1 3.80 0.02 . 2 . . . . 40 GLY HA3 . 6725 1 459 . 1 1 40 40 GLY C C 13 171.00 0.1 . 1 . . . . 40 GLY C . 6725 1 460 . 1 1 40 40 GLY CA C 13 42.50 0.1 . 1 . . . . 40 GLY CA . 6725 1 461 . 1 1 40 40 GLY N N 15 110.50 0.1 . 1 . . . . 40 GLY N . 6725 1 462 . 1 1 41 41 ASP H H 1 7.76 0.02 . 1 . . . . 41 ASP H . 6725 1 463 . 1 1 41 41 ASP HA H 1 4.18 0.02 . 1 . . . . 41 ASP HA . 6725 1 464 . 1 1 41 41 ASP HB2 H 1 1.83 0.02 . 2 . . . . 41 ASP HB2 . 6725 1 465 . 1 1 41 41 ASP HB3 H 1 1.99 0.02 . 2 . . . . 41 ASP HB3 . 6725 1 466 . 1 1 41 41 ASP C C 13 173.50 0.1 . 1 . . . . 41 ASP C . 6725 1 467 . 1 1 41 41 ASP CA C 13 54.37 0.1 . 1 . . . . 41 ASP CA . 6725 1 468 . 1 1 41 41 ASP CB C 13 37.05 0.1 . 1 . . . . 41 ASP CB . 6725 1 469 . 1 1 41 41 ASP N N 15 124.67 0.1 . 1 . . . . 41 ASP N . 6725 1 470 . 1 1 42 42 GLY H H 1 7.70 0.02 . 1 . . . . 42 GLY H . 6725 1 471 . 1 1 42 42 GLY HA2 H 1 3.91 0.02 . 2 . . . . 42 GLY HA2 . 6725 1 472 . 1 1 42 42 GLY HA3 H 1 3.73 0.02 . 2 . . . . 42 GLY HA3 . 6725 1 473 . 1 1 42 42 GLY C C 13 173.00 0.1 . 1 . . . . 42 GLY C . 6725 1 474 . 1 1 42 42 GLY CA C 13 43.52 0.1 . 1 . . . . 42 GLY CA . 6725 1 475 . 1 1 42 42 GLY N N 15 116.50 0.1 . 1 . . . . 42 GLY N . 6725 1 476 . 1 1 43 43 SER H H 1 7.98 0.02 . 1 . . . . 43 SER H . 6725 1 477 . 1 1 43 43 SER HA H 1 3.91 0.02 . 1 . . . . 43 SER HA . 6725 1 478 . 1 1 43 43 SER HB2 H 1 3.42 0.02 . 2 . . . . 43 SER HB2 . 6725 1 479 . 1 1 43 43 SER HB3 H 1 3.59 0.02 . 2 . . . . 43 SER HB3 . 6725 1 480 . 1 1 43 43 SER C C 13 170.20 0.1 . 1 . . . . 43 SER C . 6725 1 481 . 1 1 43 43 SER CA C 13 55.71 0.1 . 1 . . . . 43 SER CA . 6725 1 482 . 1 1 43 43 SER CB C 13 59.78 0.1 . 1 . . . . 43 SER CB . 6725 1 483 . 1 1 43 43 SER N N 15 114.74 0.1 . 1 . . . . 43 SER N . 6725 1 484 . 1 1 44 44 PRO HA H 1 4.99 0.02 . 1 . . . . 44 PRO HA . 6725 1 485 . 1 1 44 44 PRO HB2 H 1 2.07 0.02 . 1 . . . . 44 PRO HB2 . 6725 1 486 . 1 1 44 44 PRO HB3 H 1 1.37 0.02 . 1 . . . . 44 PRO HB3 . 6725 1 487 . 1 1 44 44 PRO HG2 H 1 2.00 0.02 . 1 . . . . 44 PRO HG2 . 6725 1 488 . 1 1 44 44 PRO HG3 H 1 2.00 0.02 . 1 . . . . 44 PRO HG3 . 6725 1 489 . 1 1 44 44 PRO HD2 H 1 4.16 0.02 . 1 . . . . 44 PRO HD2 . 6725 1 490 . 1 1 44 44 PRO HD3 H 1 4.16 0.02 . 1 . . . . 44 PRO HD3 . 6725 1 491 . 1 1 44 44 PRO C C 13 172.19 0.1 . 1 . . . . 44 PRO C . 6725 1 492 . 1 1 44 44 PRO CA C 13 58.91 0.1 . 1 . . . . 44 PRO CA . 6725 1 493 . 1 1 44 44 PRO CB C 13 32.30 0.1 . 1 . . . . 44 PRO CB . 6725 1 494 . 1 1 44 44 PRO CG C 13 22.24 0.1 . 1 . . . . 44 PRO CG . 6725 1 495 . 1 1 44 44 PRO CD C 13 48.67 0.1 . 1 . . . . 44 PRO CD . 6725 1 496 . 1 1 45 45 CYS H H 1 8.05 0.02 . 1 . . . . 45 CYS H . 6725 1 497 . 1 1 45 45 CYS HA H 1 4.83 0.02 . 1 . . . . 45 CYS HA . 6725 1 498 . 1 1 45 45 CYS HB2 H 1 3.18 0.02 . 2 . . . . 45 CYS HB2 . 6725 1 499 . 1 1 45 45 CYS HB3 H 1 3.03 0.02 . 2 . . . . 45 CYS HB3 . 6725 1 500 . 1 1 45 45 CYS C C 13 169.21 0.1 . 1 . . . . 45 CYS C . 6725 1 501 . 1 1 45 45 CYS CA C 13 51.31 0.1 . 1 . . . . 45 CYS CA . 6725 1 502 . 1 1 45 45 CYS CB C 13 41.26 0.1 . 1 . . . . 45 CYS CB . 6725 1 503 . 1 1 45 45 CYS N N 15 115.31 0.1 . 1 . . . . 45 CYS N . 6725 1 504 . 1 1 46 46 LYS H H 1 8.96 0.02 . 1 . . . . 46 LYS H . 6725 1 505 . 1 1 46 46 LYS HA H 1 4.39 0.02 . 1 . . . . 46 LYS HA . 6725 1 506 . 1 1 46 46 LYS HB2 H 1 1.69 0.02 . 1 . . . . 46 LYS HB2 . 6725 1 507 . 1 1 46 46 LYS HB3 H 1 1.71 0.02 . 1 . . . . 46 LYS HB3 . 6725 1 508 . 1 1 46 46 LYS HG2 H 1 1.32 0.02 . 1 . . . . 46 LYS HG2 . 6725 1 509 . 1 1 46 46 LYS HG3 H 1 1.32 0.02 . 1 . . . . 46 LYS HG3 . 6725 1 510 . 1 1 46 46 LYS HD2 H 1 1.55 0.02 . 1 . . . . 46 LYS HD2 . 6725 1 511 . 1 1 46 46 LYS HD3 H 1 1.55 0.02 . 1 . . . . 46 LYS HD3 . 6725 1 512 . 1 1 46 46 LYS HE2 H 1 2.86 0.02 . 1 . . . . 46 LYS HE2 . 6725 1 513 . 1 1 46 46 LYS HE3 H 1 2.86 0.02 . 1 . . . . 46 LYS HE3 . 6725 1 514 . 1 1 46 46 LYS C C 13 172.61 0.1 . 1 . . . . 46 LYS C . 6725 1 515 . 1 1 46 46 LYS CA C 13 53.59 0.1 . 1 . . . . 46 LYS CA . 6725 1 516 . 1 1 46 46 LYS CB C 13 31.38 0.1 . 1 . . . . 46 LYS CB . 6725 1 517 . 1 1 46 46 LYS CG C 13 22.41 0.1 . 1 . . . . 46 LYS CG . 6725 1 518 . 1 1 46 46 LYS N N 15 120.11 0.1 . 1 . . . . 46 LYS N . 6725 1 519 . 1 1 47 47 ILE H H 1 8.13 0.02 . 1 . . . . 47 ILE H . 6725 1 520 . 1 1 47 47 ILE HA H 1 3.62 0.02 . 1 . . . . 47 ILE HA . 6725 1 521 . 1 1 47 47 ILE HB H 1 1.40 0.02 . 1 . . . . 47 ILE HB . 6725 1 522 . 1 1 47 47 ILE HG12 H 1 1.36 0.02 . 1 . . . . 47 ILE HG12 . 6725 1 523 . 1 1 47 47 ILE HG13 H 1 1.36 0.02 . 1 . . . . 47 ILE HG13 . 6725 1 524 . 1 1 47 47 ILE HG21 H 1 0.73 0.02 . 1 . . . . 47 ILE HG2 . 6725 1 525 . 1 1 47 47 ILE HG22 H 1 0.73 0.02 . 1 . . . . 47 ILE HG2 . 6725 1 526 . 1 1 47 47 ILE HG23 H 1 0.73 0.02 . 1 . . . . 47 ILE HG2 . 6725 1 527 . 1 1 47 47 ILE HD11 H 1 0.52 0.02 . 1 . . . . 47 ILE HD1 . 6725 1 528 . 1 1 47 47 ILE HD12 H 1 0.52 0.02 . 1 . . . . 47 ILE HD1 . 6725 1 529 . 1 1 47 47 ILE HD13 H 1 0.52 0.02 . 1 . . . . 47 ILE HD1 . 6725 1 530 . 1 1 47 47 ILE C C 13 170.70 0.1 . 1 . . . . 47 ILE C . 6725 1 531 . 1 1 47 47 ILE CA C 13 58.26 0.1 . 1 . . . . 47 ILE CA . 6725 1 532 . 1 1 47 47 ILE CB C 13 36.92 0.1 . 1 . . . . 47 ILE CB . 6725 1 533 . 1 1 47 47 ILE N N 15 126.58 0.1 . 1 . . . . 47 ILE N . 6725 1 534 . 1 1 48 48 PRO HA H 1 4.283 0.02 . 1 . . . . 48 PRO HA . 6725 1 535 . 1 1 48 48 PRO HB2 H 1 2.12 0.02 . 2 . . . . 48 PRO HB2 . 6725 1 536 . 1 1 48 48 PRO HB3 H 1 1.763 0.02 . 2 . . . . 48 PRO HB3 . 6725 1 537 . 1 1 48 48 PRO HG2 H 1 1.767 0.02 . 1 . . . . 48 PRO HG2 . 6725 1 538 . 1 1 48 48 PRO HG3 H 1 1.767 0.02 . 1 . . . . 48 PRO HG3 . 6725 1 539 . 1 1 48 48 PRO HD2 H 1 3.966 0.02 . 1 . . . . 48 PRO HD2 . 6725 1 540 . 1 1 48 48 PRO HD3 H 1 3.966 0.02 . 1 . . . . 48 PRO HD3 . 6725 1 541 . 1 1 48 48 PRO C C 13 174.33 0.1 . 1 . . . . 48 PRO C . 6725 1 542 . 1 1 48 48 PRO CA C 13 60.40 0.1 . 1 . . . . 48 PRO CA . 6725 1 543 . 1 1 48 48 PRO CB C 13 29.42 0.1 . 1 . . . . 48 PRO CB . 6725 1 544 . 1 1 48 48 PRO CG C 13 29.46 0.1 . 1 . . . . 48 PRO CG . 6725 1 545 . 1 1 48 48 PRO CD C 13 53.67 0.1 . 1 . . . . 48 PRO CD . 6725 1 546 . 1 1 49 49 PHE H H 1 8.09 0.02 . 1 . . . . 49 PHE H . 6725 1 547 . 1 1 49 49 PHE HA H 1 3.993 0.02 . 1 . . . . 49 PHE HA . 6725 1 548 . 1 1 49 49 PHE C C 13 174.03 0.1 . 1 . . . . 49 PHE C . 6725 1 549 . 1 1 49 49 PHE CA C 13 58.61 0.1 . 1 . . . . 49 PHE CA . 6725 1 550 . 1 1 49 49 PHE CB C 13 35.65 0.1 . 1 . . . . 49 PHE CB . 6725 1 551 . 1 1 49 49 PHE N N 15 120.80 0.1 . 1 . . . . 49 PHE N . 6725 1 552 . 1 1 50 50 GLU H H 1 8.16 0.02 . 1 . . . . 50 GLU H . 6725 1 553 . 1 1 50 50 GLU HA H 1 4.282 0.02 . 1 . . . . 50 GLU HA . 6725 1 554 . 1 1 50 50 GLU HB2 H 1 1.928 0.02 . 2 . . . . 50 GLU HB2 . 6725 1 555 . 1 1 50 50 GLU HB3 H 1 1.878 0.02 . 2 . . . . 50 GLU HB3 . 6725 1 556 . 1 1 50 50 GLU HG2 H 1 2.129 0.02 . 1 . . . . 50 GLU HG2 . 6725 1 557 . 1 1 50 50 GLU HG3 H 1 2.129 0.02 . 1 . . . . 50 GLU HG3 . 6725 1 558 . 1 1 50 50 GLU C C 13 173.90 0.1 . 1 . . . . 50 GLU C . 6725 1 559 . 1 1 50 50 GLU CA C 13 59.55 0.1 . 1 . . . . 50 GLU CA . 6725 1 560 . 1 1 50 50 GLU CB C 13 30.09 0.1 . 1 . . . . 50 GLU CB . 6725 1 561 . 1 1 50 50 GLU N N 15 125.13 0.1 . 1 . . . . 50 GLU N . 6725 1 562 . 1 1 51 51 ILE HA H 1 4.12 0.02 . 1 . . . . 51 ILE HA . 6725 1 563 . 1 1 51 51 ILE HB H 1 1.886 0.02 . 1 . . . . 51 ILE HB . 6725 1 564 . 1 1 51 51 ILE HG12 H 1 1.005 0.02 . 1 . . . . 51 ILE HG12 . 6725 1 565 . 1 1 51 51 ILE HG13 H 1 1.005 0.02 . 1 . . . . 51 ILE HG13 . 6725 1 566 . 1 1 51 51 ILE HG21 H 1 0.801 0.02 . 1 . . . . 51 ILE HG2 . 6725 1 567 . 1 1 51 51 ILE HG22 H 1 0.801 0.02 . 1 . . . . 51 ILE HG2 . 6725 1 568 . 1 1 51 51 ILE HG23 H 1 0.801 0.02 . 1 . . . . 51 ILE HG2 . 6725 1 569 . 1 1 51 51 ILE HD11 H 1 0.741 0.02 . 1 . . . . 51 ILE HD1 . 6725 1 570 . 1 1 51 51 ILE HD12 H 1 0.741 0.02 . 1 . . . . 51 ILE HD1 . 6725 1 571 . 1 1 51 51 ILE HD13 H 1 0.741 0.02 . 1 . . . . 51 ILE HD1 . 6725 1 572 . 1 1 51 51 ILE C C 13 174.20 0.1 . 1 . . . . 51 ILE C . 6725 1 573 . 1 1 51 51 ILE CA C 13 53.91 0.1 . 1 . . . . 51 ILE CA . 6725 1 574 . 1 1 51 51 ILE CB C 13 39.77 0.1 . 1 . . . . 51 ILE CB . 6725 1 575 . 1 1 52 52 MET H H 1 8.23 0.02 . 1 . . . . 52 MET H . 6725 1 576 . 1 1 52 52 MET HA H 1 4.241 0.02 . 1 . . . . 52 MET HA . 6725 1 577 . 1 1 52 52 MET HB2 H 1 1.903 0.02 . 1 . . . . 52 MET HB2 . 6725 1 578 . 1 1 52 52 MET HB3 H 1 1.903 0.02 . 1 . . . . 52 MET HB3 . 6725 1 579 . 1 1 52 52 MET HG2 H 1 1.972 0.02 . 1 . . . . 52 MET HG2 . 6725 1 580 . 1 1 52 52 MET HG3 H 1 1.972 0.02 . 1 . . . . 52 MET HG3 . 6725 1 581 . 1 1 52 52 MET HE1 H 1 1.709 0.02 . 1 . . . . 52 MET HE . 6725 1 582 . 1 1 52 52 MET HE2 H 1 1.709 0.02 . 1 . . . . 52 MET HE . 6725 1 583 . 1 1 52 52 MET HE3 H 1 1.709 0.02 . 1 . . . . 52 MET HE . 6725 1 584 . 1 1 52 52 MET C C 13 173.80 0.1 . 1 . . . . 52 MET C . 6725 1 585 . 1 1 52 52 MET CA C 13 52.49 0.1 . 1 . . . . 52 MET CA . 6725 1 586 . 1 1 52 52 MET CB C 13 30.14 0.1 . 1 . . . . 52 MET CB . 6725 1 587 . 1 1 52 52 MET CE C 13 21.83 0.1 . 1 . . . . 52 MET CE . 6725 1 588 . 1 1 52 52 MET N N 15 123.20 0.1 . 1 . . . . 52 MET N . 6725 1 589 . 1 1 53 53 ASP H H 1 8.38 0.02 . 1 . . . . 53 ASP H . 6725 1 590 . 1 1 53 53 ASP HA H 1 4.622 0.02 . 1 . . . . 53 ASP HA . 6725 1 591 . 1 1 53 53 ASP HB2 H 1 2.68 0.02 . 2 . . . . 53 ASP HB2 . 6725 1 592 . 1 1 53 53 ASP HB3 H 1 2.589 0.02 . 2 . . . . 53 ASP HB3 . 6725 1 593 . 1 1 53 53 ASP C C 13 172.70 0.1 . 1 . . . . 53 ASP C . 6725 1 594 . 1 1 53 53 ASP CA C 13 50.29 0.1 . 1 . . . . 53 ASP CA . 6725 1 595 . 1 1 53 53 ASP CB C 13 36.34 0.1 . 1 . . . . 53 ASP CB . 6725 1 596 . 1 1 53 53 ASP N N 15 122.40 0.1 . 1 . . . . 53 ASP N . 6725 1 597 . 1 1 54 54 LEU H H 1 8.11 0.02 . 1 . . . . 54 LEU H . 6725 1 598 . 1 1 54 54 LEU HA H 1 4.018 0.02 . 1 . . . . 54 LEU HA . 6725 1 599 . 1 1 54 54 LEU HB2 H 1 1.73 0.02 . 1 . . . . 54 LEU HB2 . 6725 1 600 . 1 1 54 54 LEU HB3 H 1 1.73 0.02 . 1 . . . . 54 LEU HB3 . 6725 1 601 . 1 1 54 54 LEU HG H 1 1.062 0.02 . 1 . . . . 54 LEU HG . 6725 1 602 . 1 1 54 54 LEU HD11 H 1 0.7848 0.02 . 2 . . . . 54 LEU HD1 . 6725 1 603 . 1 1 54 54 LEU HD12 H 1 0.7848 0.02 . 2 . . . . 54 LEU HD1 . 6725 1 604 . 1 1 54 54 LEU HD13 H 1 0.7848 0.02 . 2 . . . . 54 LEU HD1 . 6725 1 605 . 1 1 54 54 LEU HD21 H 1 0.7458 0.02 . 2 . . . . 54 LEU HD2 . 6725 1 606 . 1 1 54 54 LEU HD22 H 1 0.7458 0.02 . 2 . . . . 54 LEU HD2 . 6725 1 607 . 1 1 54 54 LEU HD23 H 1 0.7458 0.02 . 2 . . . . 54 LEU HD2 . 6725 1 608 . 1 1 54 54 LEU C C 13 173.90 0.1 . 1 . . . . 54 LEU C . 6725 1 609 . 1 1 54 54 LEU CA C 13 58.52 0.1 . 1 . . . . 54 LEU CA . 6725 1 610 . 1 1 54 54 LEU CB C 13 39.74 0.1 . 1 . . . . 54 LEU CB . 6725 1 611 . 1 1 54 54 LEU CG C 13 27.76 0.1 . 1 . . . . 54 LEU CG . 6725 1 612 . 1 1 54 54 LEU CD1 C 13 24.29 0.1 . 1 . . . . 54 LEU CD1 . 6725 1 613 . 1 1 54 54 LEU CD2 C 13 24.29 0.1 . 1 . . . . 54 LEU CD2 . 6725 1 614 . 1 1 54 54 LEU N N 15 121.69 0.1 . 1 . . . . 54 LEU N . 6725 1 615 . 1 1 55 55 GLU H H 1 8.33 0.02 . 1 . . . . 55 GLU H . 6725 1 616 . 1 1 55 55 GLU HA H 1 4.140 0.02 . 1 . . . . 55 GLU HA . 6725 1 617 . 1 1 55 55 GLU HB2 H 1 1.907 0.02 . 2 . . . . 55 GLU HB2 . 6725 1 618 . 1 1 55 55 GLU HB3 H 1 1.793 0.02 . 2 . . . . 55 GLU HB3 . 6725 1 619 . 1 1 55 55 GLU HG2 H 1 2.148 0.02 . 2 . . . . 55 GLU HG2 . 6725 1 620 . 1 1 55 55 GLU HG3 H 1 2.059 0.02 . 2 . . . . 55 GLU HG3 . 6725 1 621 . 1 1 55 55 GLU C C 13 173.60 0.1 . 1 . . . . 55 GLU C . 6725 1 622 . 1 1 55 55 GLU CA C 13 53.74 0.1 . 1 . . . . 55 GLU CA . 6725 1 623 . 1 1 55 55 GLU CB C 13 27.50 0.1 . 1 . . . . 55 GLU CB . 6725 1 624 . 1 1 55 55 GLU CG C 13 33.32 0.1 . 1 . . . . 55 GLU CG . 6725 1 625 . 1 1 55 55 GLU N N 15 124.51 0.1 . 1 . . . . 55 GLU N . 6725 1 626 . 1 1 56 56 LYS HA H 1 4.223 0.02 . 1 . . . . 56 LYS HA . 6725 1 627 . 1 1 56 56 LYS HB2 H 1 1.92 0.02 . 1 . . . . 56 LYS HB2 . 6725 1 628 . 1 1 56 56 LYS HB3 H 1 1.92 0.02 . 1 . . . . 56 LYS HB3 . 6725 1 629 . 1 1 56 56 LYS HG2 H 1 1.35 0.02 . 1 . . . . 56 LYS HG2 . 6725 1 630 . 1 1 56 56 LYS HG3 H 1 1.35 0.02 . 1 . . . . 56 LYS HG3 . 6725 1 631 . 1 1 56 56 LYS HD2 H 1 1.72 0.02 . 1 . . . . 56 LYS HD2 . 6725 1 632 . 1 1 56 56 LYS HD3 H 1 1.72 0.02 . 1 . . . . 56 LYS HD3 . 6725 1 633 . 1 1 56 56 LYS HE2 H 1 2.90 0.02 . 2 . . . . 56 LYS HE2 . 6725 1 634 . 1 1 56 56 LYS HE3 H 1 2.93 0.02 . 2 . . . . 56 LYS HE3 . 6725 1 635 . 1 1 56 56 LYS C C 13 175.40 0.1 . 1 . . . . 56 LYS C . 6725 1 636 . 1 1 56 56 LYS CA C 13 56.77 0.1 . 1 . . . . 56 LYS CA . 6725 1 637 . 1 1 56 56 LYS CB C 13 36.21 0.1 . 1 . . . . 56 LYS CB . 6725 1 638 . 1 1 57 57 ARG H H 1 8.24 0.02 . 1 . . . . 57 ARG H . 6725 1 639 . 1 1 57 57 ARG HA H 1 4.247 0.02 . 1 . . . . 57 ARG HA . 6725 1 640 . 1 1 57 57 ARG HB2 H 1 1.722 0.02 . 1 . . . . 57 ARG HB2 . 6725 1 641 . 1 1 57 57 ARG HB3 H 1 1.722 0.02 . 1 . . . . 57 ARG HB3 . 6725 1 642 . 1 1 57 57 ARG HG2 H 1 1.478 0.02 . 2 . . . . 57 ARG HG2 . 6725 1 643 . 1 1 57 57 ARG HG3 H 1 1.53 0.02 . 2 . . . . 57 ARG HG3 . 6725 1 644 . 1 1 57 57 ARG HD2 H 1 3.07 0.02 . 1 . . . . 57 ARG HD2 . 6725 1 645 . 1 1 57 57 ARG HD3 H 1 3.07 0.02 . 1 . . . . 57 ARG HD3 . 6725 1 646 . 1 1 57 57 ARG C C 13 175.10 0.1 . 1 . . . . 57 ARG C . 6725 1 647 . 1 1 57 57 ARG CA C 13 52.40 0.1 . 1 . . . . 57 ARG CA . 6725 1 648 . 1 1 57 57 ARG CB C 13 39.53 0.1 . 1 . . . . 57 ARG CB . 6725 1 649 . 1 1 57 57 ARG N N 15 121.86 0.1 . 1 . . . . 57 ARG N . 6725 1 650 . 1 1 58 58 HIS H H 1 8.34 0.02 . 1 . . . . 58 HIS H . 6725 1 651 . 1 1 58 58 HIS HA H 1 4.167 0.02 . 1 . . . . 58 HIS HA . 6725 1 652 . 1 1 58 58 HIS HB2 H 1 2.86 0.02 . 1 . . . . 58 HIS HB2 . 6725 1 653 . 1 1 58 58 HIS HB3 H 1 2.86 0.02 . 1 . . . . 58 HIS HB3 . 6725 1 654 . 1 1 58 58 HIS C C 13 174.20 0.1 . 1 . . . . 58 HIS C . 6725 1 655 . 1 1 58 58 HIS CA C 13 53.44 0.1 . 1 . . . . 58 HIS CA . 6725 1 656 . 1 1 58 58 HIS CB C 13 28.38 0.1 . 1 . . . . 58 HIS CB . 6725 1 657 . 1 1 58 58 HIS N N 15 122.67 0.1 . 1 . . . . 58 HIS N . 6725 1 658 . 1 1 59 59 VAL HA H 1 4.247 0.02 . 1 . . . . 59 VAL HA . 6725 1 659 . 1 1 59 59 VAL HB H 1 1.857 0.02 . 1 . . . . 59 VAL HB . 6725 1 660 . 1 1 59 59 VAL HG11 H 1 0.85 0.02 . 2 . . . . 59 VAL HG1 . 6725 1 661 . 1 1 59 59 VAL HG12 H 1 0.85 0.02 . 2 . . . . 59 VAL HG1 . 6725 1 662 . 1 1 59 59 VAL HG13 H 1 0.85 0.02 . 2 . . . . 59 VAL HG1 . 6725 1 663 . 1 1 59 59 VAL HG21 H 1 0.85 0.02 . 2 . . . . 59 VAL HG2 . 6725 1 664 . 1 1 59 59 VAL HG22 H 1 0.85 0.02 . 2 . . . . 59 VAL HG2 . 6725 1 665 . 1 1 59 59 VAL HG23 H 1 0.85 0.02 . 2 . . . . 59 VAL HG2 . 6725 1 666 . 1 1 59 59 VAL C C 13 174.50 0.1 . 1 . . . . 59 VAL C . 6725 1 667 . 1 1 59 59 VAL CA C 13 60.27 0.1 . 1 . . . . 59 VAL CA . 6725 1 668 . 1 1 59 59 VAL CB C 13 28.17 0.1 . 1 . . . . 59 VAL CB . 6725 1 669 . 1 1 59 59 VAL CG1 C 13 22.01 0.1 . 1 . . . . 59 VAL CG1 . 6725 1 670 . 1 1 59 59 VAL CG2 C 13 22.01 0.1 . 1 . . . . 59 VAL CG2 . 6725 1 671 . 1 1 60 60 LEU H H 1 7.938 0.02 . 1 . . . . 60 LEU H . 6725 1 672 . 1 1 60 60 LEU HA H 1 3.79 0.02 . 1 . . . . 60 LEU HA . 6725 1 673 . 1 1 60 60 LEU HB2 H 1 1.373 0.02 . 1 . . . . 60 LEU HB2 . 6725 1 674 . 1 1 60 60 LEU HB3 H 1 1.373 0.02 . 1 . . . . 60 LEU HB3 . 6725 1 675 . 1 1 60 60 LEU HG H 1 1.05 0.02 . 1 . . . . 60 LEU HG . 6725 1 676 . 1 1 60 60 LEU HD11 H 1 0.84 0.02 . 2 . . . . 60 LEU HD1 . 6725 1 677 . 1 1 60 60 LEU HD12 H 1 0.84 0.02 . 2 . . . . 60 LEU HD1 . 6725 1 678 . 1 1 60 60 LEU HD13 H 1 0.84 0.02 . 2 . . . . 60 LEU HD1 . 6725 1 679 . 1 1 60 60 LEU HD21 H 1 0.84 0.02 . 2 . . . . 60 LEU HD2 . 6725 1 680 . 1 1 60 60 LEU HD22 H 1 0.84 0.02 . 2 . . . . 60 LEU HD2 . 6725 1 681 . 1 1 60 60 LEU HD23 H 1 0.84 0.02 . 2 . . . . 60 LEU HD2 . 6725 1 682 . 1 1 60 60 LEU C C 13 173.60 0.1 . 1 . . . . 60 LEU C . 6725 1 683 . 1 1 60 60 LEU CA C 13 53.12 0.1 . 1 . . . . 60 LEU CA . 6725 1 684 . 1 1 60 60 LEU CB C 13 39.78 0.1 . 1 . . . . 60 LEU CB . 6725 1 685 . 1 1 60 60 LEU N N 15 121.9 0.1 . 1 . . . . 60 LEU N . 6725 1 686 . 1 1 61 61 GLY HA2 H 1 4.11 0.02 . 2 . . . . 61 GLY HA2 . 6725 1 687 . 1 1 61 61 GLY HA3 H 1 3.64 0.02 . 2 . . . . 61 GLY HA3 . 6725 1 688 . 1 1 61 61 GLY C C 13 170.49 0.1 . 1 . . . . 61 GLY C . 6725 1 689 . 1 1 61 61 GLY CA C 13 42.10 0.1 . 1 . . . . 61 GLY CA . 6725 1 690 . 1 1 62 62 ARG H H 1 7.90 0.02 . 1 . . . . 62 ARG H . 6725 1 691 . 1 1 62 62 ARG HA H 1 4.67 0.02 . 1 . . . . 62 ARG HA . 6725 1 692 . 1 1 62 62 ARG HB2 H 1 1.58 0.02 . 2 . . . . 62 ARG HB2 . 6725 1 693 . 1 1 62 62 ARG HB3 H 1 1.77 0.02 . 2 . . . . 62 ARG HB3 . 6725 1 694 . 1 1 62 62 ARG HG2 H 1 1.16 0.02 . 1 . . . . 62 ARG HG2 . 6725 1 695 . 1 1 62 62 ARG HG3 H 1 1.16 0.02 . 1 . . . . 62 ARG HG3 . 6725 1 696 . 1 1 62 62 ARG HD2 H 1 3.15 0.02 . 1 . . . . 62 ARG HD2 . 6725 1 697 . 1 1 62 62 ARG HD3 H 1 3.15 0.02 . 1 . . . . 62 ARG HD3 . 6725 1 698 . 1 1 62 62 ARG C C 13 172.63 0.1 . 1 . . . . 62 ARG C . 6725 1 699 . 1 1 62 62 ARG CA C 13 52.20 0.1 . 1 . . . . 62 ARG CA . 6725 1 700 . 1 1 62 62 ARG CB C 13 30.65 0.1 . 1 . . . . 62 ARG CB . 6725 1 701 . 1 1 62 62 ARG CG C 13 24.31 0.1 . 1 . . . . 62 ARG CG . 6725 1 702 . 1 1 62 62 ARG CD C 13 40.56 0.1 . 1 . . . . 62 ARG CD . 6725 1 703 . 1 1 62 62 ARG N N 15 115.95 0.1 . 1 . . . . 62 ARG N . 6725 1 704 . 1 1 63 63 LEU H H 1 8.75 0.02 . 1 . . . . 63 LEU H . 6725 1 705 . 1 1 63 63 LEU HA H 1 3.99 0.02 . 1 . . . . 63 LEU HA . 6725 1 706 . 1 1 63 63 LEU HB2 H 1 1.48 0.02 . 1 . . . . 63 LEU HB2 . 6725 1 707 . 1 1 63 63 LEU HB3 H 1 1.48 0.02 . 1 . . . . 63 LEU HB3 . 6725 1 708 . 1 1 63 63 LEU HG H 1 1.47 0.02 . 1 . . . . 63 LEU HG . 6725 1 709 . 1 1 63 63 LEU HD11 H 1 0.79 0.02 . 1 . . . . 63 LEU HD1 . 6725 1 710 . 1 1 63 63 LEU HD12 H 1 0.79 0.02 . 1 . . . . 63 LEU HD1 . 6725 1 711 . 1 1 63 63 LEU HD13 H 1 0.79 0.02 . 1 . . . . 63 LEU HD1 . 6725 1 712 . 1 1 63 63 LEU HD21 H 1 0.73 0.02 . 1 . . . . 63 LEU HD2 . 6725 1 713 . 1 1 63 63 LEU HD22 H 1 0.73 0.02 . 1 . . . . 63 LEU HD2 . 6725 1 714 . 1 1 63 63 LEU HD23 H 1 0.73 0.02 . 1 . . . . 63 LEU HD2 . 6725 1 715 . 1 1 63 63 LEU C C 13 173.56 0.1 . 1 . . . . 63 LEU C . 6725 1 716 . 1 1 63 63 LEU CA C 13 53.10 0.1 . 1 . . . . 63 LEU CA . 6725 1 717 . 1 1 63 63 LEU CB C 13 39.79 0.1 . 1 . . . . 63 LEU CB . 6725 1 718 . 1 1 63 63 LEU CG C 13 30.39 0.1 . 1 . . . . 63 LEU CG . 6725 1 719 . 1 1 63 63 LEU CD1 C 13 21.71 0.1 . 1 . . . . 63 LEU CD1 . 6725 1 720 . 1 1 63 63 LEU CD2 C 13 21.71 0.1 . 1 . . . . 63 LEU CD2 . 6725 1 721 . 1 1 63 63 LEU N N 15 125.29 0.1 . 1 . . . . 63 LEU N . 6725 1 722 . 1 1 64 64 ILE H H 1 8.26 0.02 . 1 . . . . 64 ILE H . 6725 1 723 . 1 1 64 64 ILE HA H 1 3.90 0.02 . 1 . . . . 64 ILE HA . 6725 1 724 . 1 1 64 64 ILE HB H 1 1.34 0.02 . 1 . . . . 64 ILE HB . 6725 1 725 . 1 1 64 64 ILE HG12 H 1 1.15 0.02 . 2 . . . . 64 ILE HG12 . 6725 1 726 . 1 1 64 64 ILE HG13 H 1 1.09 0.02 . 2 . . . . 64 ILE HG13 . 6725 1 727 . 1 1 64 64 ILE HG21 H 1 0.66 0.02 . 1 . . . . 64 ILE HG2 . 6725 1 728 . 1 1 64 64 ILE HG22 H 1 0.66 0.02 . 1 . . . . 64 ILE HG2 . 6725 1 729 . 1 1 64 64 ILE HG23 H 1 0.66 0.02 . 1 . . . . 64 ILE HG2 . 6725 1 730 . 1 1 64 64 ILE HD11 H 1 0.55 0.02 . 1 . . . . 64 ILE HD1 . 6725 1 731 . 1 1 64 64 ILE HD12 H 1 0.55 0.02 . 1 . . . . 64 ILE HD1 . 6725 1 732 . 1 1 64 64 ILE HD13 H 1 0.55 0.02 . 1 . . . . 64 ILE HD1 . 6725 1 733 . 1 1 64 64 ILE C C 13 175.20 0.1 . 1 . . . . 64 ILE C . 6725 1 734 . 1 1 64 64 ILE CA C 13 58.55 0.1 . 1 . . . . 64 ILE CA . 6725 1 735 . 1 1 64 64 ILE CB C 13 34.38 0.1 . 1 . . . . 64 ILE CB . 6725 1 736 . 1 1 64 64 ILE CG1 C 13 23.67 0.1 . 1 . . . . 64 ILE CG1 . 6725 1 737 . 1 1 64 64 ILE CG2 C 13 14.46 0.1 . 1 . . . . 64 ILE CG2 . 6725 1 738 . 1 1 64 64 ILE CD1 C 13 8.06 0.1 . 1 . . . . 64 ILE CD1 . 6725 1 739 . 1 1 64 64 ILE N N 15 124.37 0.1 . 1 . . . . 64 ILE N . 6725 1 740 . 1 1 65 65 THR H H 1 7.39 0.02 . 1 . . . . 65 THR H . 6725 1 741 . 1 1 65 65 THR HA H 1 3.96 0.02 . 1 . . . . 65 THR HA . 6725 1 742 . 1 1 65 65 THR HB H 1 3.73 0.02 . 1 . . . . 65 THR HB . 6725 1 743 . 1 1 65 65 THR HG1 H 1 3.96 0.02 . 1 . . . . 65 THR HG1 . 6725 1 744 . 1 1 65 65 THR HG21 H 1 1.07 0.02 . 1 . . . . 65 THR HG2 . 6725 1 745 . 1 1 65 65 THR HG22 H 1 1.07 0.02 . 1 . . . . 65 THR HG2 . 6725 1 746 . 1 1 65 65 THR HG23 H 1 1.07 0.02 . 1 . . . . 65 THR HG2 . 6725 1 747 . 1 1 65 65 THR C C 13 171.29 0.1 . 1 . . . . 65 THR C . 6725 1 748 . 1 1 65 65 THR CA C 13 59.65 0.1 . 1 . . . . 65 THR CA . 6725 1 749 . 1 1 65 65 THR CB C 13 66.94 0.1 . 1 . . . . 65 THR CB . 6725 1 750 . 1 1 65 65 THR CG2 C 13 19.16 0.1 . 1 . . . . 65 THR CG2 . 6725 1 751 . 1 1 65 65 THR N N 15 115.86 0.1 . 1 . . . . 65 THR N . 6725 1 752 . 1 1 66 66 VAL H H 1 7.82 0.02 . 1 . . . . 66 VAL H . 6725 1 753 . 1 1 66 66 VAL HA H 1 3.56 0.02 . 1 . . . . 66 VAL HA . 6725 1 754 . 1 1 66 66 VAL HB H 1 1.85 0.02 . 1 . . . . 66 VAL HB . 6725 1 755 . 1 1 66 66 VAL HG11 H 1 0.80 0.02 . 2 . . . . 66 VAL HG1 . 6725 1 756 . 1 1 66 66 VAL HG12 H 1 0.80 0.02 . 2 . . . . 66 VAL HG1 . 6725 1 757 . 1 1 66 66 VAL HG13 H 1 0.80 0.02 . 2 . . . . 66 VAL HG1 . 6725 1 758 . 1 1 66 66 VAL HG21 H 1 0.85 0.02 . 2 . . . . 66 VAL HG2 . 6725 1 759 . 1 1 66 66 VAL HG22 H 1 0.85 0.02 . 2 . . . . 66 VAL HG2 . 6725 1 760 . 1 1 66 66 VAL HG23 H 1 0.85 0.02 . 2 . . . . 66 VAL HG2 . 6725 1 761 . 1 1 66 66 VAL C C 13 173.57 0.1 . 1 . . . . 66 VAL C . 6725 1 762 . 1 1 66 66 VAL CA C 13 60.85 0.1 . 1 . . . . 66 VAL CA . 6725 1 763 . 1 1 66 66 VAL CB C 13 29.27 0.1 . 1 . . . . 66 VAL CB . 6725 1 764 . 1 1 66 66 VAL N N 15 124.42 0.1 . 1 . . . . 66 VAL N . 6725 1 765 . 1 1 67 67 ASN H H 1 8.66 0.02 . 1 . . . . 67 ASN H . 6725 1 766 . 1 1 67 67 ASN HA H 1 4.49 0.02 . 1 . . . . 67 ASN HA . 6725 1 767 . 1 1 67 67 ASN HB2 H 1 2.72 0.02 . 2 . . . . 67 ASN HB2 . 6725 1 768 . 1 1 67 67 ASN HB3 H 1 2.50 0.02 . 2 . . . . 67 ASN HB3 . 6725 1 769 . 1 1 67 67 ASN C C 13 168.74 0.1 . 1 . . . . 67 ASN C . 6725 1 770 . 1 1 67 67 ASN CA C 13 49.95 0.1 . 1 . . . . 67 ASN CA . 6725 1 771 . 1 1 67 67 ASN CB C 13 36.15 0.1 . 1 . . . . 67 ASN CB . 6725 1 772 . 1 1 67 67 ASN N N 15 119.28 0.1 . 1 . . . . 67 ASN N . 6725 1 773 . 1 1 68 68 PRO HA H 1 4.26 0.02 . 1 . . . . 68 PRO HA . 6725 1 774 . 1 1 68 68 PRO HB2 H 1 2.19 0.02 . 2 . . . . 68 PRO HB2 . 6725 1 775 . 1 1 68 68 PRO HB3 H 1 1.97 0.02 . 2 . . . . 68 PRO HB3 . 6725 1 776 . 1 1 68 68 PRO HG2 H 1 2.10 0.02 . 2 . . . . 68 PRO HG2 . 6725 1 777 . 1 1 68 68 PRO HG3 H 1 2.09 0.02 . 2 . . . . 68 PRO HG3 . 6725 1 778 . 1 1 68 68 PRO HD2 H 1 4.02 0.02 . 2 . . . . 68 PRO HD2 . 6725 1 779 . 1 1 68 68 PRO HD3 H 1 3.61 0.02 . 2 . . . . 68 PRO HD3 . 6725 1 780 . 1 1 68 68 PRO C C 13 173.67 0.1 . 1 . . . . 68 PRO C . 6725 1 781 . 1 1 68 68 PRO CA C 13 60.25 0.1 . 1 . . . . 68 PRO CA . 6725 1 782 . 1 1 68 68 PRO CB C 13 28.20 0.1 . 1 . . . . 68 PRO CB . 6725 1 783 . 1 1 68 68 PRO CG C 13 28.20 0.1 . 1 . . . . 68 PRO CG . 6725 1 784 . 1 1 68 68 PRO CD C 13 50.22 0.1 . 1 . . . . 68 PRO CD . 6725 1 785 . 1 1 69 69 ILE H H 1 7.92 0.02 . 1 . . . . 69 ILE H . 6725 1 786 . 1 1 69 69 ILE HA H 1 4.63 0.02 . 1 . . . . 69 ILE HA . 6725 1 787 . 1 1 69 69 ILE HB H 1 1.36 0.02 . 1 . . . . 69 ILE HB . 6725 1 788 . 1 1 69 69 ILE HG12 H 1 1.05 0.02 . 1 . . . . 69 ILE HG12 . 6725 1 789 . 1 1 69 69 ILE HG13 H 1 1.05 0.02 . 1 . . . . 69 ILE HG13 . 6725 1 790 . 1 1 69 69 ILE HG21 H 1 0.83 0.02 . 1 . . . . 69 ILE HG2 . 6725 1 791 . 1 1 69 69 ILE HG22 H 1 0.83 0.02 . 1 . . . . 69 ILE HG2 . 6725 1 792 . 1 1 69 69 ILE HG23 H 1 0.83 0.02 . 1 . . . . 69 ILE HG2 . 6725 1 793 . 1 1 69 69 ILE HD11 H 1 0.40 0.02 . 1 . . . . 69 ILE HD1 . 6725 1 794 . 1 1 69 69 ILE HD12 H 1 0.40 0.02 . 1 . . . . 69 ILE HD1 . 6725 1 795 . 1 1 69 69 ILE HD13 H 1 0.40 0.02 . 1 . . . . 69 ILE HD1 . 6725 1 796 . 1 1 69 69 ILE C C 13 173.00 0.1 . 1 . . . . 69 ILE C . 6725 1 797 . 1 1 69 69 ILE CA C 13 56.33 0.1 . 1 . . . . 69 ILE CA . 6725 1 798 . 1 1 69 69 ILE CB C 13 39.77 0.1 . 1 . . . . 69 ILE CB . 6725 1 799 . 1 1 69 69 ILE CG2 C 13 14.20 0.1 . 1 . . . . 69 ILE CG2 . 6725 1 800 . 1 1 69 69 ILE CD1 C 13 14.20 0.1 . 1 . . . . 69 ILE CD1 . 6725 1 801 . 1 1 69 69 ILE N N 15 121.94 0.1 . 1 . . . . 69 ILE N . 6725 1 802 . 1 1 70 70 VAL H H 1 8.49 0.02 . 1 . . . . 70 VAL H . 6725 1 803 . 1 1 70 70 VAL HA H 1 4.11 0.02 . 1 . . . . 70 VAL HA . 6725 1 804 . 1 1 70 70 VAL HB H 1 1.86 0.02 . 1 . . . . 70 VAL HB . 6725 1 805 . 1 1 70 70 VAL HG11 H 1 0.76 0.02 . 2 . . . . 70 VAL HG1 . 6725 1 806 . 1 1 70 70 VAL HG12 H 1 0.76 0.02 . 2 . . . . 70 VAL HG1 . 6725 1 807 . 1 1 70 70 VAL HG13 H 1 0.76 0.02 . 2 . . . . 70 VAL HG1 . 6725 1 808 . 1 1 70 70 VAL HG21 H 1 0.81 0.02 . 2 . . . . 70 VAL HG2 . 6725 1 809 . 1 1 70 70 VAL HG22 H 1 0.81 0.02 . 2 . . . . 70 VAL HG2 . 6725 1 810 . 1 1 70 70 VAL HG23 H 1 0.81 0.02 . 2 . . . . 70 VAL HG2 . 6725 1 811 . 1 1 70 70 VAL C C 13 173.27 0.1 . 1 . . . . 70 VAL C . 6725 1 812 . 1 1 70 70 VAL CA C 13 58.35 0.1 . 1 . . . . 70 VAL CA . 6725 1 813 . 1 1 70 70 VAL CB C 13 30.57 0.1 . 1 . . . . 70 VAL CB . 6725 1 814 . 1 1 70 70 VAL CG1 C 13 18.92 0.1 . 1 . . . . 70 VAL CG1 . 6725 1 815 . 1 1 70 70 VAL CG2 C 13 18.92 0.1 . 1 . . . . 70 VAL CG2 . 6725 1 816 . 1 1 70 70 VAL N N 15 121.45 0.1 . 1 . . . . 70 VAL N . 6725 1 817 . 1 1 71 71 THR H H 1 8.45 0.02 . 1 . . . . 71 THR H . 6725 1 818 . 1 1 71 71 THR HA H 1 4.03 0.02 . 1 . . . . 71 THR HA . 6725 1 819 . 1 1 71 71 THR HB H 1 4.08 0.02 . 1 . . . . 71 THR HB . 6725 1 820 . 1 1 71 71 THR HG1 H 1 4.24 0.02 . 2 . . . . 71 THR HG1 . 6725 1 821 . 1 1 71 71 THR HG21 H 1 1.05 0.02 . 1 . . . . 71 THR HG2 . 6725 1 822 . 1 1 71 71 THR HG22 H 1 1.05 0.02 . 1 . . . . 71 THR HG2 . 6725 1 823 . 1 1 71 71 THR HG23 H 1 1.05 0.02 . 1 . . . . 71 THR HG2 . 6725 1 824 . 1 1 71 71 THR C C 13 172.48 0.1 . 1 . . . . 71 THR C . 6725 1 825 . 1 1 71 71 THR CA C 13 60.63 0.1 . 1 . . . . 71 THR CA . 6725 1 826 . 1 1 71 71 THR CB C 13 66.27 0.1 . 1 . . . . 71 THR CB . 6725 1 827 . 1 1 71 71 THR CG2 C 13 19.53 0.1 . 1 . . . . 71 THR CG2 . 6725 1 828 . 1 1 71 71 THR N N 15 118.06 0.1 . 1 . . . . 71 THR N . 6725 1 829 . 1 1 72 72 GLU H H 1 7.97 0.02 . 1 . . . . 72 GLU H . 6725 1 830 . 1 1 72 72 GLU HA H 1 4.43 0.02 . 1 . . . . 72 GLU HA . 6725 1 831 . 1 1 72 72 GLU HB2 H 1 2.00 0.02 . 2 . . . . 72 GLU HB2 . 6725 1 832 . 1 1 72 72 GLU HB3 H 1 1.81 0.02 . 2 . . . . 72 GLU HB3 . 6725 1 833 . 1 1 72 72 GLU HG2 H 1 2.10 0.02 . 1 . . . . 72 GLU HG2 . 6725 1 834 . 1 1 72 72 GLU HG3 H 1 2.10 0.02 . 1 . . . . 72 GLU HG3 . 6725 1 835 . 1 1 72 72 GLU C C 13 173.64 0.1 . 1 . . . . 72 GLU C . 6725 1 836 . 1 1 72 72 GLU CA C 13 52.52 0.1 . 1 . . . . 72 GLU CA . 6725 1 837 . 1 1 72 72 GLU CB C 13 29.57 0.1 . 1 . . . . 72 GLU CB . 6725 1 838 . 1 1 72 72 GLU CG C 13 33.20 0.1 . 1 . . . . 72 GLU CG . 6725 1 839 . 1 1 72 72 GLU N N 15 120.48 0.1 . 1 . . . . 72 GLU N . 6725 1 840 . 1 1 73 73 LYS H H 1 8.64 0.02 . 1 . . . . 73 LYS H . 6725 1 841 . 1 1 73 73 LYS HA H 1 3.85 0.02 . 1 . . . . 73 LYS HA . 6725 1 842 . 1 1 73 73 LYS HB2 H 1 1.61 0.02 . 2 . . . . 73 LYS HB2 . 6725 1 843 . 1 1 73 73 LYS HB3 H 1 1.57 0.02 . 2 . . . . 73 LYS HB3 . 6725 1 844 . 1 1 73 73 LYS HG2 H 1 1.24 0.02 . 2 . . . . 73 LYS HG2 . 6725 1 845 . 1 1 73 73 LYS HG3 H 1 1.29 0.02 . 2 . . . . 73 LYS HG3 . 6725 1 846 . 1 1 73 73 LYS HD2 H 1 1.53 0.02 . 2 . . . . 73 LYS HD2 . 6725 1 847 . 1 1 73 73 LYS HD3 H 1 1.49 0.02 . 2 . . . . 73 LYS HD3 . 6725 1 848 . 1 1 73 73 LYS HE2 H 1 2.71 0.02 . 1 . . . . 73 LYS HE2 . 6725 1 849 . 1 1 73 73 LYS HE3 H 1 2.71 0.02 . 1 . . . . 73 LYS HE3 . 6725 1 850 . 1 1 73 73 LYS C C 13 174.67 0.1 . 1 . . . . 73 LYS C . 6725 1 851 . 1 1 73 73 LYS CA C 13 56.77 0.1 . 1 . . . . 73 LYS CA . 6725 1 852 . 1 1 73 73 LYS CB C 13 29.82 0.1 . 1 . . . . 73 LYS CB . 6725 1 853 . 1 1 73 73 LYS CE C 13 34.81 0.1 . 1 . . . . 73 LYS CE . 6725 1 854 . 1 1 73 73 LYS N N 15 123.77 0.1 . 1 . . . . 73 LYS N . 6725 1 855 . 1 1 74 74 ASP H H 1 8.44 0.02 . 1 . . . . 74 ASP H . 6725 1 856 . 1 1 74 74 ASP HA H 1 4.36 0.02 . 1 . . . . 74 ASP HA . 6725 1 857 . 1 1 74 74 ASP HB2 H 1 2.71 0.02 . 2 . . . . 74 ASP HB2 . 6725 1 858 . 1 1 74 74 ASP HB3 H 1 2.54 0.02 . 2 . . . . 74 ASP HB3 . 6725 1 859 . 1 1 74 74 ASP C C 13 173.94 0.1 . 1 . . . . 74 ASP C . 6725 1 860 . 1 1 74 74 ASP CA C 13 52.71 0.1 . 1 . . . . 74 ASP CA . 6725 1 861 . 1 1 74 74 ASP CB C 13 37.55 0.1 . 1 . . . . 74 ASP CB . 6725 1 862 . 1 1 74 74 ASP N N 15 114.72 0.1 . 1 . . . . 74 ASP N . 6725 1 863 . 1 1 75 75 SER H H 1 7.69 0.02 . 1 . . . . 75 SER H . 6725 1 864 . 1 1 75 75 SER HA H 1 4.93 0.02 . 1 . . . . 75 SER HA . 6725 1 865 . 1 1 75 75 SER HB2 H 1 3.72 0.02 . 1 . . . . 75 SER HB2 . 6725 1 866 . 1 1 75 75 SER HB3 H 1 3.72 0.02 . 1 . . . . 75 SER HB3 . 6725 1 867 . 1 1 75 75 SER C C 13 170.39 0.1 . 1 . . . . 75 SER C . 6725 1 868 . 1 1 75 75 SER CB C 13 61.48 0.1 . 1 . . . . 75 SER CB . 6725 1 869 . 1 1 75 75 SER N N 15 114.72 0.1 . 1 . . . . 75 SER N . 6725 1 870 . 1 1 76 76 PRO HA H 1 4.78 0.02 . 1 . . . . 76 PRO HA . 6725 1 871 . 1 1 76 76 PRO HB2 H 1 1.95 0.02 . 2 . . . . 76 PRO HB2 . 6725 1 872 . 1 1 76 76 PRO HB3 H 1 1.48 0.02 . 2 . . . . 76 PRO HB3 . 6725 1 873 . 1 1 76 76 PRO HG2 H 1 1.90 0.02 . 2 . . . . 76 PRO HG2 . 6725 1 874 . 1 1 76 76 PRO HG3 H 1 1.91 0.02 . 2 . . . . 76 PRO HG3 . 6725 1 875 . 1 1 76 76 PRO HD2 H 1 4.10 0.02 . 2 . . . . 76 PRO HD2 . 6725 1 876 . 1 1 76 76 PRO HD3 H 1 3.91 0.02 . 2 . . . . 76 PRO HD3 . 6725 1 877 . 1 1 76 76 PRO C C 13 173.19 0.1 . 1 . . . . 76 PRO C . 6725 1 878 . 1 1 76 76 PRO CA C 13 59.92 0.1 . 1 . . . . 76 PRO CA . 6725 1 879 . 1 1 76 76 PRO CB C 13 30.51 0.1 . 1 . . . . 76 PRO CB . 6725 1 880 . 1 1 76 76 PRO CG C 13 24.73 0.1 . 1 . . . . 76 PRO CG . 6725 1 881 . 1 1 76 76 PRO CD C 13 48.86 0.1 . 1 . . . . 76 PRO CD . 6725 1 882 . 1 1 77 77 VAL H H 1 9.08 0.02 . 1 . . . . 77 VAL H . 6725 1 883 . 1 1 77 77 VAL HA H 1 4.18 0.02 . 1 . . . . 77 VAL HA . 6725 1 884 . 1 1 77 77 VAL HB H 1 1.67 0.02 . 1 . . . . 77 VAL HB . 6725 1 885 . 1 1 77 77 VAL HG11 H 1 0.75 0.02 . 2 . . . . 77 VAL HG1 . 6725 1 886 . 1 1 77 77 VAL HG12 H 1 0.75 0.02 . 2 . . . . 77 VAL HG1 . 6725 1 887 . 1 1 77 77 VAL HG13 H 1 0.75 0.02 . 2 . . . . 77 VAL HG1 . 6725 1 888 . 1 1 77 77 VAL HG21 H 1 0.95 0.02 . 2 . . . . 77 VAL HG2 . 6725 1 889 . 1 1 77 77 VAL HG22 H 1 0.95 0.02 . 2 . . . . 77 VAL HG2 . 6725 1 890 . 1 1 77 77 VAL HG23 H 1 0.95 0.02 . 2 . . . . 77 VAL HG2 . 6725 1 891 . 1 1 77 77 VAL C C 13 172.07 0.1 . 1 . . . . 77 VAL C . 6725 1 892 . 1 1 77 77 VAL CA C 13 58.26 0.1 . 1 . . . . 77 VAL CA . 6725 1 893 . 1 1 77 77 VAL CB C 13 33.09 0.1 . 1 . . . . 77 VAL CB . 6725 1 894 . 1 1 77 77 VAL N N 15 120.20 0.1 . 1 . . . . 77 VAL N . 6725 1 895 . 1 1 78 78 ASN H H 1 8.43 0.02 . 1 . . . . 78 ASN H . 6725 1 896 . 1 1 78 78 ASN HA H 1 5.11 0.02 . 1 . . . . 78 ASN HA . 6725 1 897 . 1 1 78 78 ASN HB2 H 1 2.57 0.02 . 2 . . . . 78 ASN HB2 . 6725 1 898 . 1 1 78 78 ASN HB3 H 1 2.14 0.02 . 2 . . . . 78 ASN HB3 . 6725 1 899 . 1 1 78 78 ASN C C 13 172.40 0.1 . 1 . . . . 78 ASN C . 6725 1 900 . 1 1 78 78 ASN CA C 13 49.49 0.1 . 1 . . . . 78 ASN CA . 6725 1 901 . 1 1 78 78 ASN CB C 13 36.95 0.1 . 1 . . . . 78 ASN CB . 6725 1 902 . 1 1 78 78 ASN N N 15 123.08 0.1 . 1 . . . . 78 ASN N . 6725 1 903 . 1 1 79 79 ILE H H 1 9.13 0.02 . 1 . . . . 79 ILE H . 6725 1 904 . 1 1 79 79 ILE HA H 1 3.96 0.02 . 1 . . . . 79 ILE HA . 6725 1 905 . 1 1 79 79 ILE HB H 1 1.26 0.02 . 1 . . . . 79 ILE HB . 6725 1 906 . 1 1 79 79 ILE HG12 H 1 0.80 0.02 . 1 . . . . 79 ILE HG12 . 6725 1 907 . 1 1 79 79 ILE HG13 H 1 0.80 0.02 . 1 . . . . 79 ILE HG13 . 6725 1 908 . 1 1 79 79 ILE HG21 H 1 0.75 0.02 . 1 . . . . 79 ILE HG2 . 6725 1 909 . 1 1 79 79 ILE HG22 H 1 0.75 0.02 . 1 . . . . 79 ILE HG2 . 6725 1 910 . 1 1 79 79 ILE HG23 H 1 0.75 0.02 . 1 . . . . 79 ILE HG2 . 6725 1 911 . 1 1 79 79 ILE HD11 H 1 0.40 0.02 . 1 . . . . 79 ILE HD1 . 6725 1 912 . 1 1 79 79 ILE HD12 H 1 0.40 0.02 . 1 . . . . 79 ILE HD1 . 6725 1 913 . 1 1 79 79 ILE HD13 H 1 0.40 0.02 . 1 . . . . 79 ILE HD1 . 6725 1 914 . 1 1 79 79 ILE C C 13 171.04 0.1 . 1 . . . . 79 ILE C . 6725 1 915 . 1 1 79 79 ILE CA C 13 58.03 0.1 . 1 . . . . 79 ILE CA . 6725 1 916 . 1 1 79 79 ILE CB C 13 37.54 0.1 . 1 . . . . 79 ILE CB . 6725 1 917 . 1 1 79 79 ILE CG1 C 13 24.66 0.1 . 1 . . . . 79 ILE CG1 . 6725 1 918 . 1 1 79 79 ILE CG2 C 13 15.16 0.1 . 1 . . . . 79 ILE CG2 . 6725 1 919 . 1 1 79 79 ILE CD1 C 13 11.83 0.1 . 1 . . . . 79 ILE CD1 . 6725 1 920 . 1 1 79 79 ILE N N 15 123.54 0.1 . 1 . . . . 79 ILE N . 6725 1 921 . 1 1 80 80 GLU H H 1 8.82 0.02 . 1 . . . . 80 GLU H . 6725 1 922 . 1 1 80 80 GLU HA H 1 5.48 0.02 . 1 . . . . 80 GLU HA . 6725 1 923 . 1 1 80 80 GLU HB2 H 1 1.67 0.02 . 2 . . . . 80 GLU HB2 . 6725 1 924 . 1 1 80 80 GLU HB3 H 1 1.53 0.02 . 2 . . . . 80 GLU HB3 . 6725 1 925 . 1 1 80 80 GLU HG2 H 1 2.09 0.02 . 2 . . . . 80 GLU HG2 . 6725 1 926 . 1 1 80 80 GLU HG3 H 1 2.14 0.02 . 2 . . . . 80 GLU HG3 . 6725 1 927 . 1 1 80 80 GLU C C 13 173.17 0.1 . 1 . . . . 80 GLU C . 6725 1 928 . 1 1 80 80 GLU CA C 13 50.84 0.1 . 1 . . . . 80 GLU CA . 6725 1 929 . 1 1 80 80 GLU CB C 13 28.95 0.1 . 1 . . . . 80 GLU CB . 6725 1 930 . 1 1 80 80 GLU CG C 13 33.29 0.1 . 1 . . . . 80 GLU CG . 6725 1 931 . 1 1 80 80 GLU N N 15 127.28 0.1 . 1 . . . . 80 GLU N . 6725 1 932 . 1 1 81 81 ALA H H 1 8.94 0.02 . 1 . . . . 81 ALA H . 6725 1 933 . 1 1 81 81 ALA HA H 1 4.71 0.02 . 1 . . . . 81 ALA HA . 6725 1 934 . 1 1 81 81 ALA HB1 H 1 1.07 0.02 . 1 . . . . 81 ALA HB . 6725 1 935 . 1 1 81 81 ALA HB2 H 1 1.07 0.02 . 1 . . . . 81 ALA HB . 6725 1 936 . 1 1 81 81 ALA HB3 H 1 1.07 0.02 . 1 . . . . 81 ALA HB . 6725 1 937 . 1 1 81 81 ALA C C 13 171.11 0.1 . 1 . . . . 81 ALA C . 6725 1 938 . 1 1 81 81 ALA CA C 13 48.07 0.1 . 1 . . . . 81 ALA CA . 6725 1 939 . 1 1 81 81 ALA CB C 13 21.43 0.1 . 1 . . . . 81 ALA CB . 6725 1 940 . 1 1 81 81 ALA N N 15 127.62 0.1 . 1 . . . . 81 ALA N . 6725 1 941 . 1 1 82 82 GLU H H 1 9.32 0.02 . 1 . . . . 82 GLU H . 6725 1 942 . 1 1 82 82 GLU HA H 1 4.72 0.02 . 1 . . . . 82 GLU HA . 6725 1 943 . 1 1 82 82 GLU HB2 H 1 1.48 0.02 . 2 . . . . 82 GLU HB2 . 6725 1 944 . 1 1 82 82 GLU HB3 H 1 1.52 0.02 . 2 . . . . 82 GLU HB3 . 6725 1 945 . 1 1 82 82 GLU HG2 H 1 2.16 0.02 . 2 . . . . 82 GLU HG2 . 6725 1 946 . 1 1 82 82 GLU HG3 H 1 1.95 0.02 . 2 . . . . 82 GLU HG3 . 6725 1 947 . 1 1 82 82 GLU C C 13 170.67 0.1 . 1 . . . . 82 GLU C . 6725 1 948 . 1 1 82 82 GLU CA C 13 49.84 0.1 . 1 . . . . 82 GLU CA . 6725 1 949 . 1 1 82 82 GLU CB C 13 29.76 0.1 . 1 . . . . 82 GLU CB . 6725 1 950 . 1 1 82 82 GLU N N 15 122.51 0.1 . 1 . . . . 82 GLU N . 6725 1 951 . 1 1 84 84 PRO HA H 1 4.325 0.02 . 1 . . . . 84 PRO HA . 6725 1 952 . 1 1 84 84 PRO HB2 H 1 2.143 0.02 . 2 . . . . 84 PRO HB2 . 6725 1 953 . 1 1 84 84 PRO HB3 H 1 1.705 0.02 . 2 . . . . 84 PRO HB3 . 6725 1 954 . 1 1 84 84 PRO HG2 H 1 1.88 0.02 . 1 . . . . 84 PRO HG2 . 6725 1 955 . 1 1 84 84 PRO HG3 H 1 1.88 0.02 . 1 . . . . 84 PRO HG3 . 6725 1 956 . 1 1 84 84 PRO HD2 H 1 3.601 0.02 . 2 . . . . 84 PRO HD2 . 6725 1 957 . 1 1 84 84 PRO HD3 H 1 3.67 0.02 . 2 . . . . 84 PRO HD3 . 6725 1 958 . 1 1 84 84 PRO C C 13 174.50 0.1 . 1 . . . . 84 PRO C . 6725 1 959 . 1 1 84 84 PRO CA C 13 60.44 0.1 . 1 . . . . 84 PRO CA . 6725 1 960 . 1 1 84 84 PRO CB C 13 29.33 0.1 . 1 . . . . 84 PRO CB . 6725 1 961 . 1 1 84 84 PRO CG C 13 27.6 0.1 . 1 . . . . 84 PRO CG . 6725 1 962 . 1 1 84 84 PRO CD C 13 53.78 0.1 . 1 . . . . 84 PRO CD . 6725 1 963 . 1 1 85 85 PHE H H 1 8.09 0.02 . 1 . . . . 85 PHE H . 6725 1 964 . 1 1 85 85 PHE HA H 1 4.256 0.02 . 1 . . . . 85 PHE HA . 6725 1 965 . 1 1 85 85 PHE HB2 H 1 2.973 0.02 . 2 . . . . 85 PHE HB2 . 6725 1 966 . 1 1 85 85 PHE HB3 H 1 2.853 0.02 . 2 . . . . 85 PHE HB3 . 6725 1 967 . 1 1 85 85 PHE C C 13 173.50 0.1 . 1 . . . . 85 PHE C . 6725 1 968 . 1 1 85 85 PHE CA C 13 53.98 0.1 . 1 . . . . 85 PHE CA . 6725 1 969 . 1 1 85 85 PHE N N 15 119.63 0.1 . 1 . . . . 85 PHE N . 6725 1 970 . 1 1 86 86 GLY H H 1 8.30 0.02 . 1 . . . . 86 GLY H . 6725 1 971 . 1 1 86 86 GLY HA2 H 1 3.81 0.02 . 1 . . . . 86 GLY HA2 . 6725 1 972 . 1 1 86 86 GLY HA3 H 1 3.81 0.02 . 1 . . . . 86 GLY HA3 . 6725 1 973 . 1 1 86 86 GLY C C 13 171.50 0.1 . 1 . . . . 86 GLY C . 6725 1 974 . 1 1 86 86 GLY CA C 13 42.23 0.1 . 1 . . . . 86 GLY CA . 6725 1 975 . 1 1 86 86 GLY N N 15 108.51 0.1 . 1 . . . . 86 GLY N . 6725 1 976 . 1 1 87 87 ASP H H 1 7.84 0.02 . 1 . . . . 87 ASP H . 6725 1 977 . 1 1 87 87 ASP HA H 1 4.02 0.02 . 1 . . . . 87 ASP HA . 6725 1 978 . 1 1 87 87 ASP HB2 H 1 2.36 0.02 . 2 . . . . 87 ASP HB2 . 6725 1 979 . 1 1 87 87 ASP HB3 H 1 2.20 0.02 . 2 . . . . 87 ASP HB3 . 6725 1 980 . 1 1 87 87 ASP C C 13 173.70 0.1 . 1 . . . . 87 ASP C . 6725 1 981 . 1 1 87 87 ASP CA C 13 59.20 0.1 . 1 . . . . 87 ASP CA . 6725 1 982 . 1 1 87 87 ASP CB C 13 30.27 0.1 . 1 . . . . 87 ASP CB . 6725 1 983 . 1 1 87 87 ASP N N 15 118.88 0.1 . 1 . . . . 87 ASP N . 6725 1 984 . 1 1 88 88 SER H H 1 8.22 0.02 . 1 . . . . 88 SER H . 6725 1 985 . 1 1 88 88 SER HA H 1 4.25 0.02 . 1 . . . . 88 SER HA . 6725 1 986 . 1 1 88 88 SER HB2 H 1 4.08 0.02 . 2 . . . . 88 SER HB2 . 6725 1 987 . 1 1 88 88 SER HB3 H 1 3.97 0.02 . 2 . . . . 88 SER HB3 . 6725 1 988 . 1 1 88 88 SER C C 13 171.40 0.1 . 1 . . . . 88 SER C . 6725 1 989 . 1 1 88 88 SER CA C 13 59.12 0.1 . 1 . . . . 88 SER CA . 6725 1 990 . 1 1 88 88 SER CB C 13 67.15 0.1 . 1 . . . . 88 SER CB . 6725 1 991 . 1 1 88 88 SER N N 15 118.60 0.1 . 1 . . . . 88 SER N . 6725 1 992 . 1 1 89 89 TYR H H 1 8.33 0.02 . 1 . . . . 89 TYR H . 6725 1 993 . 1 1 89 89 TYR HA H 1 4.20 0.02 . 1 . . . . 89 TYR HA . 6725 1 994 . 1 1 89 89 TYR HB2 H 1 1.89 0.02 . 2 . . . . 89 TYR HB2 . 6725 1 995 . 1 1 89 89 TYR HB3 H 1 2.35 0.02 . 2 . . . . 89 TYR HB3 . 6725 1 996 . 1 1 89 89 TYR C C 13 173.10 0.1 . 1 . . . . 89 TYR C . 6725 1 997 . 1 1 89 89 TYR CA C 13 53.82 0.1 . 1 . . . . 89 TYR CA . 6725 1 998 . 1 1 89 89 TYR CB C 13 36.26 0.1 . 1 . . . . 89 TYR CB . 6725 1 999 . 1 1 89 89 TYR N N 15 124.16 0.1 . 1 . . . . 89 TYR N . 6725 1 1000 . 1 1 90 90 ILE H H 1 8.24 0.02 . 1 . . . . 90 ILE H . 6725 1 1001 . 1 1 90 90 ILE HB H 1 1.49 0.02 . 1 . . . . 90 ILE HB . 6725 1 1002 . 1 1 90 90 ILE HG12 H 1 1.15 0.02 . 2 . . . . 90 ILE HG12 . 6725 1 1003 . 1 1 90 90 ILE HG13 H 1 1.19 0.02 . 2 . . . . 90 ILE HG13 . 6725 1 1004 . 1 1 90 90 ILE HG21 H 1 0.97 0.02 . 1 . . . . 90 ILE HG2 . 6725 1 1005 . 1 1 90 90 ILE HG22 H 1 0.97 0.02 . 1 . . . . 90 ILE HG2 . 6725 1 1006 . 1 1 90 90 ILE HG23 H 1 0.97 0.02 . 1 . . . . 90 ILE HG2 . 6725 1 1007 . 1 1 90 90 ILE HD11 H 1 0.52 0.02 . 1 . . . . 90 ILE HD1 . 6725 1 1008 . 1 1 90 90 ILE HD12 H 1 0.52 0.02 . 1 . . . . 90 ILE HD1 . 6725 1 1009 . 1 1 90 90 ILE HD13 H 1 0.52 0.02 . 1 . . . . 90 ILE HD1 . 6725 1 1010 . 1 1 90 90 ILE C C 13 175.1 0.1 . 1 . . . . 90 ILE C . 6725 1 1011 . 1 1 90 90 ILE CA C 13 56.81 0.1 . 1 . . . . 90 ILE CA . 6725 1 1012 . 1 1 90 90 ILE CB C 13 39.67 0.1 . 1 . . . . 90 ILE CB . 6725 1 1013 . 1 1 90 90 ILE N N 15 122.13 0.1 . 1 . . . . 90 ILE N . 6725 1 1014 . 1 1 91 91 ILE H H 1 8.227 0.02 . 1 . . . . 91 ILE H . 6725 1 1015 . 1 1 91 91 ILE HA H 1 4.84 0.02 . 1 . . . . 91 ILE HA . 6725 1 1016 . 1 1 91 91 ILE HB H 1 1.583 0.02 . 1 . . . . 91 ILE HB . 6725 1 1017 . 1 1 91 91 ILE HG12 H 1 1.122 0.02 . 1 . . . . 91 ILE HG12 . 6725 1 1018 . 1 1 91 91 ILE HG13 H 1 1.122 0.02 . 1 . . . . 91 ILE HG13 . 6725 1 1019 . 1 1 91 91 ILE HD11 H 1 0.5015 0.02 . 1 . . . . 91 ILE HD1 . 6725 1 1020 . 1 1 91 91 ILE HD12 H 1 0.5015 0.02 . 1 . . . . 91 ILE HD1 . 6725 1 1021 . 1 1 91 91 ILE HD13 H 1 0.5015 0.02 . 1 . . . . 91 ILE HD1 . 6725 1 1022 . 1 1 91 91 ILE C C 13 173.8 0.1 . 1 . . . . 91 ILE C . 6725 1 1023 . 1 1 91 91 ILE CA C 13 56.16 0.1 . 1 . . . . 91 ILE CA . 6725 1 1024 . 1 1 91 91 ILE CB C 13 40.12 0.1 . 1 . . . . 91 ILE CB . 6725 1 1025 . 1 1 91 91 ILE CG1 C 13 23.98 0.1 . 1 . . . . 91 ILE CG1 . 6725 1 1026 . 1 1 91 91 ILE CG2 C 13 15.54 0.1 . 1 . . . . 91 ILE CG2 . 6725 1 1027 . 1 1 91 91 ILE CD1 C 13 15.55 0.1 . 1 . . . . 91 ILE CD1 . 6725 1 1028 . 1 1 91 91 ILE N N 15 122.3 0.1 . 1 . . . . 91 ILE N . 6725 1 1029 . 1 1 92 92 ILE H H 1 8.46 0.02 . 1 . . . . 92 ILE H . 6725 1 1030 . 1 1 92 92 ILE HA H 1 4.51 0.02 . 1 . . . . 92 ILE HA . 6725 1 1031 . 1 1 92 92 ILE HB H 1 1.42 0.02 . 1 . . . . 92 ILE HB . 6725 1 1032 . 1 1 92 92 ILE HG12 H 1 1.19 0.02 . 2 . . . . 92 ILE HG12 . 6725 1 1033 . 1 1 92 92 ILE HG13 H 1 1.16 0.02 . 2 . . . . 92 ILE HG13 . 6725 1 1034 . 1 1 92 92 ILE HG21 H 1 1.42 0.02 . 1 . . . . 92 ILE HG2 . 6725 1 1035 . 1 1 92 92 ILE HG22 H 1 1.42 0.02 . 1 . . . . 92 ILE HG2 . 6725 1 1036 . 1 1 92 92 ILE HG23 H 1 1.42 0.02 . 1 . . . . 92 ILE HG2 . 6725 1 1037 . 1 1 92 92 ILE HD11 H 1 0.54 0.02 . 1 . . . . 92 ILE HD1 . 6725 1 1038 . 1 1 92 92 ILE HD12 H 1 0.54 0.02 . 1 . . . . 92 ILE HD1 . 6725 1 1039 . 1 1 92 92 ILE HD13 H 1 0.54 0.02 . 1 . . . . 92 ILE HD1 . 6725 1 1040 . 1 1 92 92 ILE C C 13 172.98 0.1 . 1 . . . . 92 ILE C . 6725 1 1041 . 1 1 92 92 ILE CA C 13 57.29 0.1 . 1 . . . . 92 ILE CA . 6725 1 1042 . 1 1 92 92 ILE CB C 13 38.04 0.1 . 1 . . . . 92 ILE CB . 6725 1 1043 . 1 1 92 92 ILE CG1 C 13 25.32 0.1 . 1 . . . . 92 ILE CG1 . 6725 1 1044 . 1 1 92 92 ILE CG2 C 13 14.14 0.1 . 1 . . . . 92 ILE CG2 . 6725 1 1045 . 1 1 92 92 ILE CD1 C 13 11.46 0.1 . 1 . . . . 92 ILE CD1 . 6725 1 1046 . 1 1 92 92 ILE N N 15 126.30 0.1 . 1 . . . . 92 ILE N . 6725 1 1047 . 1 1 93 93 GLY H H 1 8.41 0.02 . 1 . . . . 93 GLY H . 6725 1 1048 . 1 1 93 93 GLY HA2 H 1 4.98 0.02 . 2 . . . . 93 GLY HA2 . 6725 1 1049 . 1 1 93 93 GLY HA3 H 1 3.94 0.02 . 2 . . . . 93 GLY HA3 . 6725 1 1050 . 1 1 93 93 GLY C C 13 172.13 0.1 . 1 . . . . 93 GLY C . 6725 1 1051 . 1 1 93 93 GLY CA C 13 41.04 0.1 . 1 . . . . 93 GLY CA . 6725 1 1052 . 1 1 93 93 GLY N N 15 112.00 0.1 . 1 . . . . 93 GLY N . 6725 1 1053 . 1 1 94 94 VAL H H 1 8.35 0.02 . 1 . . . . 94 VAL H . 6725 1 1054 . 1 1 94 94 VAL HA H 1 4.51 0.02 . 1 . . . . 94 VAL HA . 6725 1 1055 . 1 1 94 94 VAL HB H 1 2.24 0.02 . 1 . . . . 94 VAL HB . 6725 1 1056 . 1 1 94 94 VAL HG11 H 1 0.84 0.02 . 2 . . . . 94 VAL HG1 . 6725 1 1057 . 1 1 94 94 VAL HG12 H 1 0.84 0.02 . 2 . . . . 94 VAL HG1 . 6725 1 1058 . 1 1 94 94 VAL HG13 H 1 0.84 0.02 . 2 . . . . 94 VAL HG1 . 6725 1 1059 . 1 1 94 94 VAL HG21 H 1 0.84 0.02 . 2 . . . . 94 VAL HG2 . 6725 1 1060 . 1 1 94 94 VAL HG22 H 1 0.84 0.02 . 2 . . . . 94 VAL HG2 . 6725 1 1061 . 1 1 94 94 VAL HG23 H 1 0.84 0.02 . 2 . . . . 94 VAL HG2 . 6725 1 1062 . 1 1 94 94 VAL C C 13 173.92 0.1 . 1 . . . . 94 VAL C . 6725 1 1063 . 1 1 94 94 VAL CA C 13 57.36 0.1 . 1 . . . . 94 VAL CA . 6725 1 1064 . 1 1 94 94 VAL CB C 13 31.69 0.1 . 1 . . . . 94 VAL CB . 6725 1 1065 . 1 1 94 94 VAL CG1 C 13 19.12 0.1 . 2 . . . . 94 VAL CG1 . 6725 1 1066 . 1 1 94 94 VAL CG2 C 13 15.53 0.1 . 2 . . . . 94 VAL CG2 . 6725 1 1067 . 1 1 94 94 VAL N N 15 113.10 0.1 . 1 . . . . 94 VAL N . 6725 1 1068 . 1 1 95 95 GLU H H 1 8.45 0.02 . 1 . . . . 95 GLU H . 6725 1 1069 . 1 1 95 95 GLU HA H 1 4.34 0.02 . 1 . . . . 95 GLU HA . 6725 1 1070 . 1 1 95 95 GLU HB2 H 1 1.66 0.02 . 2 . . . . 95 GLU HB2 . 6725 1 1071 . 1 1 95 95 GLU HB3 H 1 1.85 0.02 . 2 . . . . 95 GLU HB3 . 6725 1 1072 . 1 1 95 95 GLU HG2 H 1 2.15 0.02 . 1 . . . . 95 GLU HG2 . 6725 1 1073 . 1 1 95 95 GLU C C 13 173.46 0.1 . 1 . . . . 95 GLU C . 6725 1 1074 . 1 1 95 95 GLU CA C 13 52.71 0.1 . 1 . . . . 95 GLU CA . 6725 1 1075 . 1 1 95 95 GLU CB C 13 26.40 0.1 . 1 . . . . 95 GLU CB . 6725 1 1076 . 1 1 95 95 GLU N N 15 119.62 0.1 . 1 . . . . 95 GLU N . 6725 1 1077 . 1 1 96 96 PRO HA H 1 4.74 0.02 . 1 . . . . 96 PRO HA . 6725 1 1078 . 1 1 96 96 PRO HB2 H 1 2.03 0.02 . 2 . . . . 96 PRO HB2 . 6725 1 1079 . 1 1 96 96 PRO HB3 H 1 2.24 0.02 . 2 . . . . 96 PRO HB3 . 6725 1 1080 . 1 1 96 96 PRO HG2 H 1 2.13 0.02 . 2 . . . . 96 PRO HG2 . 6725 1 1081 . 1 1 96 96 PRO HG3 H 1 2.18 0.02 . 2 . . . . 96 PRO HG3 . 6725 1 1082 . 1 1 96 96 PRO HD2 H 1 4.12 0.02 . 2 . . . . 96 PRO HD2 . 6725 1 1083 . 1 1 96 96 PRO HD3 H 1 4.18 0.02 . 2 . . . . 96 PRO HD3 . 6725 1 1084 . 1 1 96 96 PRO C C 13 173.66 0.1 . 1 . . . . 96 PRO C . 6725 1 1085 . 1 1 96 96 PRO CA C 13 59.77 0.1 . 1 . . . . 96 PRO CA . 6725 1 1086 . 1 1 96 96 PRO CB C 13 31.60 0.1 . 1 . . . . 96 PRO CB . 6725 1 1087 . 1 1 96 96 PRO CG C 13 25.65 0.1 . 1 . . . . 96 PRO CG . 6725 1 1088 . 1 1 96 96 PRO CD C 13 54.34 0.1 . 1 . . . . 96 PRO CD . 6725 1 1089 . 1 1 97 97 GLY H H 1 8.28 0.02 . 1 . . . . 97 GLY H . 6725 1 1090 . 1 1 97 97 GLY HA2 H 1 3.88 0.02 . 2 . . . . 97 GLY HA2 . 6725 1 1091 . 1 1 97 97 GLY HA3 H 1 3.76 0.02 . 2 . . . . 97 GLY HA3 . 6725 1 1092 . 1 1 97 97 GLY C C 13 172.13 0.1 . 1 . . . . 97 GLY C . 6725 1 1093 . 1 1 97 97 GLY CA C 13 43.24 0.1 . 1 . . . . 97 GLY CA . 6725 1 1094 . 1 1 97 97 GLY N N 15 108.05 0.1 . 1 . . . . 97 GLY N . 6725 1 1095 . 1 1 98 98 GLN H H 1 7.30 0.02 . 1 . . . . 98 GLN H . 6725 1 1096 . 1 1 98 98 GLN HA H 1 3.87 0.02 . 1 . . . . 98 GLN HA . 6725 1 1097 . 1 1 98 98 GLN HB2 H 1 1.25 0.02 . 2 . . . . 98 GLN HB2 . 6725 1 1098 . 1 1 98 98 GLN HB3 H 1 1.58 0.02 . 2 . . . . 98 GLN HB3 . 6725 1 1099 . 1 1 98 98 GLN HG2 H 1 1.85 0.02 . 2 . . . . 98 GLN HG2 . 6725 1 1100 . 1 1 98 98 GLN HG3 H 1 1.67 0.02 . 2 . . . . 98 GLN HG3 . 6725 1 1101 . 1 1 98 98 GLN C C 13 172.97 0.1 . 1 . . . . 98 GLN C . 6725 1 1102 . 1 1 98 98 GLN CA C 13 54.28 0.1 . 1 . . . . 98 GLN CA . 6725 1 1103 . 1 1 98 98 GLN CB C 13 29.43 0.1 . 1 . . . . 98 GLN CB . 6725 1 1104 . 1 1 98 98 GLN CG C 13 31.83 0.1 . 1 . . . . 98 GLN CG . 6725 1 1105 . 1 1 98 98 GLN N N 15 120.74 0.1 . 1 . . . . 98 GLN N . 6725 1 1106 . 1 1 99 99 LEU H H 1 8.92 0.02 . 1 . . . . 99 LEU H . 6725 1 1107 . 1 1 99 99 LEU HA H 1 4.38 0.02 . 1 . . . . 99 LEU HA . 6725 1 1108 . 1 1 99 99 LEU HB2 H 1 1.39 0.02 . 2 . . . . 99 LEU HB2 . 6725 1 1109 . 1 1 99 99 LEU HB3 H 1 1.72 0.02 . 2 . . . . 99 LEU HB3 . 6725 1 1110 . 1 1 99 99 LEU HG H 1 1.22 0.02 . 1 . . . . 99 LEU HG . 6725 1 1111 . 1 1 99 99 LEU HD11 H 1 0.73 0.02 . 2 . . . . 99 LEU HD1 . 6725 1 1112 . 1 1 99 99 LEU HD12 H 1 0.73 0.02 . 2 . . . . 99 LEU HD1 . 6725 1 1113 . 1 1 99 99 LEU HD13 H 1 0.73 0.02 . 2 . . . . 99 LEU HD1 . 6725 1 1114 . 1 1 99 99 LEU HD21 H 1 0.86 0.02 . 2 . . . . 99 LEU HD2 . 6725 1 1115 . 1 1 99 99 LEU HD22 H 1 0.86 0.02 . 2 . . . . 99 LEU HD2 . 6725 1 1116 . 1 1 99 99 LEU HD23 H 1 0.86 0.02 . 2 . . . . 99 LEU HD2 . 6725 1 1117 . 1 1 99 99 LEU C C 13 171.11 0.1 . 1 . . . . 99 LEU C . 6725 1 1118 . 1 1 99 99 LEU CA C 13 51.70 0.1 . 1 . . . . 99 LEU CA . 6725 1 1119 . 1 1 99 99 LEU CB C 13 40.35 0.1 . 1 . . . . 99 LEU CB . 6725 1 1120 . 1 1 99 99 LEU CG C 13 27.93 0.1 . 1 . . . . 99 LEU CG . 6725 1 1121 . 1 1 99 99 LEU CD1 C 13 20.60 0.1 . 1 . . . . 99 LEU CD1 . 6725 1 1122 . 1 1 99 99 LEU CD2 C 13 20.60 0.1 . 1 . . . . 99 LEU CD2 . 6725 1 1123 . 1 1 99 99 LEU N N 15 127.83 0.1 . 1 . . . . 99 LEU N . 6725 1 1124 . 1 1 100 100 LYS H H 1 8.22 0.02 . 1 . . . . 100 LYS H . 6725 1 1125 . 1 1 100 100 LYS HA H 1 4.77 0.02 . 1 . . . . 100 LYS HA . 6725 1 1126 . 1 1 100 100 LYS HB2 H 1 1.45 0.02 . 2 . . . . 100 LYS HB2 . 6725 1 1127 . 1 1 100 100 LYS HB3 H 1 1.48 0.02 . 2 . . . . 100 LYS HB3 . 6725 1 1128 . 1 1 100 100 LYS HG2 H 1 0.94 0.02 . 2 . . . . 100 LYS HG2 . 6725 1 1129 . 1 1 100 100 LYS HG3 H 1 0.97 0.02 . 2 . . . . 100 LYS HG3 . 6725 1 1130 . 1 1 100 100 LYS HD2 H 1 1.20 0.02 . 2 . . . . 100 LYS HD2 . 6725 1 1131 . 1 1 100 100 LYS HD3 H 1 1.15 0.02 . 2 . . . . 100 LYS HD3 . 6725 1 1132 . 1 1 100 100 LYS HE2 H 1 2.81 0.02 . 1 . . . . 100 LYS HE2 . 6725 1 1133 . 1 1 100 100 LYS HE3 H 1 2.81 0.02 . 1 . . . . 100 LYS HE3 . 6725 1 1134 . 1 1 100 100 LYS C C 13 172.84 0.1 . 1 . . . . 100 LYS C . 6725 1 1135 . 1 1 100 100 LYS CA C 13 52.43 0.1 . 1 . . . . 100 LYS CA . 6725 1 1136 . 1 1 100 100 LYS CB C 13 30.55 0.1 . 1 . . . . 100 LYS CB . 6725 1 1137 . 1 1 100 100 LYS CG C 13 21.86 0.1 . 1 . . . . 100 LYS CG . 6725 1 1138 . 1 1 100 100 LYS CD C 13 26.19 0.1 . 1 . . . . 100 LYS CD . 6725 1 1139 . 1 1 100 100 LYS CE C 13 39.04 0.1 . 1 . . . . 100 LYS CE . 6725 1 1140 . 1 1 100 100 LYS N N 15 122.70 0.1 . 1 . . . . 100 LYS N . 6725 1 1141 . 1 1 101 101 LEU H H 1 9.24 0.02 . 1 . . . . 101 LEU H . 6725 1 1142 . 1 1 101 101 LEU HA H 1 4.73 0.02 . 1 . . . . 101 LEU HA . 6725 1 1143 . 1 1 101 101 LEU HB2 H 1 2.12 0.02 . 2 . . . . 101 LEU HB2 . 6725 1 1144 . 1 1 101 101 LEU HB3 H 1 1.70 0.02 . 2 . . . . 101 LEU HB3 . 6725 1 1145 . 1 1 101 101 LEU HG H 1 1.32 0.02 . 1 . . . . 101 LEU HG . 6725 1 1146 . 1 1 101 101 LEU HD11 H 1 0.85 0.02 . 2 . . . . 101 LEU HD1 . 6725 1 1147 . 1 1 101 101 LEU HD12 H 1 0.85 0.02 . 2 . . . . 101 LEU HD1 . 6725 1 1148 . 1 1 101 101 LEU HD13 H 1 0.85 0.02 . 2 . . . . 101 LEU HD1 . 6725 1 1149 . 1 1 101 101 LEU HD21 H 1 0.81 0.02 . 2 . . . . 101 LEU HD2 . 6725 1 1150 . 1 1 101 101 LEU HD22 H 1 0.81 0.02 . 2 . . . . 101 LEU HD2 . 6725 1 1151 . 1 1 101 101 LEU HD23 H 1 0.81 0.02 . 2 . . . . 101 LEU HD2 . 6725 1 1152 . 1 1 101 101 LEU C C 13 173.60 0.1 . 1 . . . . 101 LEU C . 6725 1 1153 . 1 1 101 101 LEU CA C 13 50.85 0.1 . 1 . . . . 101 LEU CA . 6725 1 1154 . 1 1 101 101 LEU CB C 13 40.89 0.1 . 1 . . . . 101 LEU CB . 6725 1 1155 . 1 1 101 101 LEU N N 15 125.70 0.1 . 1 . . . . 101 LEU N . 6725 1 1156 . 1 1 102 102 ASN H H 1 7.85 0.02 . 1 . . . . 102 ASN H . 6725 1 1157 . 1 1 102 102 ASN HA H 1 4.282 0.02 . 1 . . . . 102 ASN HA . 6725 1 1158 . 1 1 102 102 ASN HB2 H 1 2.848 0.02 . 2 . . . . 102 ASN HB2 . 6725 1 1159 . 1 1 102 102 ASN HB3 H 1 2.807 0.02 . 2 . . . . 102 ASN HB3 . 6725 1 1160 . 1 1 102 102 ASN C C 13 177.12 0.1 . 1 . . . . 102 ASN C . 6725 1 1161 . 1 1 102 102 ASN CA C 13 51.81 0.1 . 1 . . . . 102 ASN CA . 6725 1 1162 . 1 1 102 102 ASN CB C 13 37.61 0.1 . 1 . . . . 102 ASN CB . 6725 1 1163 . 1 1 102 102 ASN N N 15 123.77 0.1 . 1 . . . . 102 ASN N . 6725 1 1164 . 1 1 103 103 TRP H H 1 8.77 0.02 . 1 . . . . 103 TRP H . 6725 1 1165 . 1 1 103 103 TRP HA H 1 4.65 0.02 . 1 . . . . 103 TRP HA . 6725 1 1166 . 1 1 103 103 TRP HB2 H 1 2.90 0.02 . 2 . . . . 103 TRP HB2 . 6725 1 1167 . 1 1 103 103 TRP HB3 H 1 3.03 0.02 . 2 . . . . 103 TRP HB3 . 6725 1 1168 . 1 1 103 103 TRP HE1 H 1 10.21 0.02 . 1 . . . . 103 TRP HE1 . 6725 1 1169 . 1 1 103 103 TRP HE3 H 1 7.94 0.02 . 1 . . . . 103 TRP HE3 . 6725 1 1170 . 1 1 103 103 TRP HZ2 H 1 7.27 0.02 . 1 . . . . 103 TRP HZ2 . 6725 1 1171 . 1 1 103 103 TRP HZ3 H 1 6.92 0.02 . 1 . . . . 103 TRP HZ3 . 6725 1 1172 . 1 1 103 103 TRP C C 13 172.00 0.1 . 1 . . . . 103 TRP C . 6725 1 1173 . 1 1 103 103 TRP CA C 13 53.96 0.1 . 1 . . . . 103 TRP CA . 6725 1 1174 . 1 1 103 103 TRP CB C 13 30.16 0.1 . 1 . . . . 103 TRP CB . 6725 1 1175 . 1 1 103 103 TRP N N 15 122.93 0.1 . 1 . . . . 103 TRP N . 6725 1 1176 . 1 1 103 103 TRP NE1 N 15 128.80 0.1 . 1 . . . . 103 TRP NE1 . 6725 1 1177 . 1 1 104 104 PHE H H 1 7.83 0.02 . 9 . . . . 104 PHE H . 6725 1 1178 . 1 1 104 104 PHE HA H 1 4.261 0.02 . 9 . . . . 104 PHE HA . 6725 1 1179 . 1 1 104 104 PHE HB2 H 1 2.855 0.02 . 9 . . . . 104 PHE HB2 . 6725 1 1180 . 1 1 104 104 PHE HB3 H 1 2.979 0.02 . 9 . . . . 104 PHE HB3 . 6725 1 1181 . 1 1 104 104 PHE C C 13 177.24 0.1 . 9 . . . . 104 PHE C . 6725 1 1182 . 1 1 104 104 PHE CA C 13 54.94 0.1 . 9 . . . . 104 PHE CA . 6725 1 1183 . 1 1 104 104 PHE CB C 13 39.94 0.1 . 9 . . . . 104 PHE CB . 6725 1 1184 . 1 1 104 104 PHE N N 15 125.49 0.1 . 9 . . . . 104 PHE N . 6725 1 1185 . 1 1 105 105 LYS H H 1 7.82 0.02 . 1 . . . . 105 LYS H . 6725 1 1186 . 1 1 105 105 LYS HA H 1 4.032 0.02 . 1 . . . . 105 LYS HA . 6725 1 1187 . 1 1 105 105 LYS HB2 H 1 1.558 0.02 . 1 . . . . 105 LYS HB2 . 6725 1 1188 . 1 1 105 105 LYS HB3 H 1 1.558 0.02 . 1 . . . . 105 LYS HB3 . 6725 1 1189 . 1 1 105 105 LYS HG2 H 1 0.7847 0.02 . 2 . . . . 105 LYS HG2 . 6725 1 1190 . 1 1 105 105 LYS HG3 H 1 0.736 0.02 . 2 . . . . 105 LYS HG3 . 6725 1 1191 . 1 1 105 105 LYS HD2 H 1 1.262 0.02 . 1 . . . . 105 LYS HD2 . 6725 1 1192 . 1 1 105 105 LYS HD3 H 1 1.262 0.02 . 1 . . . . 105 LYS HD3 . 6725 1 1193 . 1 1 105 105 LYS HE2 H 1 2.848 0.02 . 1 . . . . 105 LYS HE2 . 6725 1 1194 . 1 1 105 105 LYS HE3 H 1 2.848 0.02 . 1 . . . . 105 LYS HE3 . 6725 1 1195 . 1 1 105 105 LYS CA C 13 55.00 0.1 . 1 . . . . 105 LYS CA . 6725 1 1196 . 1 1 105 105 LYS CB C 13 31.15 0.1 . 1 . . . . 105 LYS CB . 6725 1 1197 . 1 1 105 105 LYS N N 15 126.76 0.1 . 1 . . . . 105 LYS N . 6725 1 1198 . 1 1 106 106 LYS HA H 1 3.61 0.02 . 1 . . . . 106 LYS HA . 6725 1 1199 . 1 1 106 106 LYS HB2 H 1 1.78 0.02 . 1 . . . . 106 LYS HB2 . 6725 1 1200 . 1 1 106 106 LYS HB3 H 1 1.78 0.02 . 1 . . . . 106 LYS HB3 . 6725 1 1201 . 1 1 106 106 LYS HG2 H 1 0.85 0.02 . 2 . . . . 106 LYS HG2 . 6725 1 1202 . 1 1 106 106 LYS HG3 H 1 0.79 0.02 . 2 . . . . 106 LYS HG3 . 6725 1 1203 . 1 1 106 106 LYS HD2 H 1 1.38 0.02 . 1 . . . . 106 LYS HD2 . 6725 1 1204 . 1 1 106 106 LYS HD3 H 1 1.38 0.02 . 1 . . . . 106 LYS HD3 . 6725 1 1205 . 1 1 106 106 LYS HE2 H 1 2.23 0.02 . 1 . . . . 106 LYS HE2 . 6725 1 1206 . 1 1 106 106 LYS HE3 H 1 2.23 0.02 . 1 . . . . 106 LYS HE3 . 6725 1 1207 . 1 1 106 106 LYS C C 13 174.50 0.1 . 1 . . . . 106 LYS C . 6725 1 1208 . 1 1 106 106 LYS CA C 13 58.25 0.1 . 1 . . . . 106 LYS CA . 6725 1 1209 . 1 1 106 106 LYS CB C 13 36.59 0.1 . 1 . . . . 106 LYS CB . 6725 1 1210 . 1 1 106 106 LYS CD C 13 28.59 0.1 . 1 . . . . 106 LYS CD . 6725 1 1211 . 1 1 107 107 GLY H H 1 8.81 0.02 . 1 . . . . 107 GLY H . 6725 1 1212 . 1 1 107 107 GLY HA2 H 1 3.96 0.02 . 2 . . . . 107 GLY HA2 . 6725 1 1213 . 1 1 107 107 GLY HA3 H 1 3.78 0.02 . 2 . . . . 107 GLY HA3 . 6725 1 1214 . 1 1 107 107 GLY C C 13 171.50 0.1 . 1 . . . . 107 GLY C . 6725 1 1215 . 1 1 107 107 GLY CA C 13 42.06 0.1 . 1 . . . . 107 GLY CA . 6725 1 1216 . 1 1 107 107 GLY N N 15 110.50 0.1 . 1 . . . . 107 GLY N . 6725 1 1217 . 1 1 108 108 SER H H 1 7.92 0.02 . 1 . . . . 108 SER H . 6725 1 1218 . 1 1 108 108 SER HA H 1 4.07 0.02 . 1 . . . . 108 SER HA . 6725 1 1219 . 1 1 108 108 SER HB2 H 1 3.58 0.02 . 2 . . . . 108 SER HB2 . 6725 1 1220 . 1 1 108 108 SER HB3 H 1 3.61 0.02 . 2 . . . . 108 SER HB3 . 6725 1 1221 . 1 1 108 108 SER C C 13 171.80 0.1 . 1 . . . . 108 SER C . 6725 1 1222 . 1 1 108 108 SER CA C 13 54.98 0.1 . 1 . . . . 108 SER CA . 6725 1 1223 . 1 1 108 108 SER CB C 13 61.62 0.1 . 1 . . . . 108 SER CB . 6725 1 1224 . 1 1 108 108 SER N N 15 114.00 0.1 . 1 . . . . 108 SER N . 6725 1 1225 . 1 1 109 109 SER H H 1 8.23 0.02 . 1 . . . . 109 SER H . 6725 1 1226 . 1 1 109 109 SER HA H 1 4.23 0.02 . 1 . . . . 109 SER HA . 6725 1 1227 . 1 1 109 109 SER HB2 H 1 3.72 0.02 . 2 . . . . 109 SER HB2 . 6725 1 1228 . 1 1 109 109 SER HB3 H 1 3.71 0.02 . 2 . . . . 109 SER HB3 . 6725 1 1229 . 1 1 109 109 SER C C 13 172.16 0.1 . 1 . . . . 109 SER C . 6725 1 1230 . 1 1 109 109 SER CA C 13 55.70 0.1 . 1 . . . . 109 SER CA . 6725 1 1231 . 1 1 109 109 SER CB C 13 61.11 0.1 . 1 . . . . 109 SER CB . 6725 1 1232 . 1 1 109 109 SER N N 15 117.30 0.1 . 1 . . . . 109 SER N . 6725 1 1233 . 1 1 110 110 LEU H H 1 8.20 0.02 . 1 . . . . 110 LEU H . 6725 1 1234 . 1 1 110 110 LEU HA H 1 4.24 0.02 . 1 . . . . 110 LEU HA . 6725 1 1235 . 1 1 110 110 LEU HB2 H 1 1.50 0.02 . 1 . . . . 110 LEU HB2 . 6725 1 1236 . 1 1 110 110 LEU HB3 H 1 1.50 0.02 . 1 . . . . 110 LEU HB3 . 6725 1 1237 . 1 1 110 110 LEU HG H 1 1.46 0.02 . 1 . . . . 110 LEU HG . 6725 1 1238 . 1 1 110 110 LEU HD11 H 1 0.79 0.02 . 2 . . . . 110 LEU HD1 . 6725 1 1239 . 1 1 110 110 LEU HD12 H 1 0.79 0.02 . 2 . . . . 110 LEU HD1 . 6725 1 1240 . 1 1 110 110 LEU HD13 H 1 0.79 0.02 . 2 . . . . 110 LEU HD1 . 6725 1 1241 . 1 1 110 110 LEU HD21 H 1 0.73 0.02 . 2 . . . . 110 LEU HD2 . 6725 1 1242 . 1 1 110 110 LEU HD22 H 1 0.73 0.02 . 2 . . . . 110 LEU HD2 . 6725 1 1243 . 1 1 110 110 LEU HD23 H 1 0.73 0.02 . 2 . . . . 110 LEU HD2 . 6725 1 1244 . 1 1 110 110 LEU C C 13 174.24 0.1 . 1 . . . . 110 LEU C . 6725 1 1245 . 1 1 110 110 LEU CA C 13 52.61 0.1 . 1 . . . . 110 LEU CA . 6725 1 1246 . 1 1 110 110 LEU CB C 13 39.63 0.1 . 1 . . . . 110 LEU CB . 6725 1 1247 . 1 1 110 110 LEU CG C 13 27.93 0.1 . 1 . . . . 110 LEU CG . 6725 1 1248 . 1 1 110 110 LEU CD1 C 13 24.28 0.1 . 1 . . . . 110 LEU CD1 . 6725 1 1249 . 1 1 110 110 LEU CD2 C 13 22.03 0.1 . 1 . . . . 110 LEU CD2 . 6725 1 1250 . 1 1 110 110 LEU N N 15 123.99 0.1 . 1 . . . . 110 LEU N . 6725 1 1251 . 1 1 111 111 GLU H H 1 7.71 0.02 . 1 . . . . 111 GLU H . 6725 1 1252 . 1 1 111 111 GLU HA H 1 3.95 0.02 . 1 . . . . 111 GLU HA . 6725 1 1253 . 1 1 111 111 GLU HB2 H 1 1.74 0.02 . 2 . . . . 111 GLU HB2 . 6725 1 1254 . 1 1 111 111 GLU HB3 H 1 1.90 0.02 . 2 . . . . 111 GLU HB3 . 6725 1 1255 . 1 1 111 111 GLU HG2 H 1 2.04 0.02 . 1 . . . . 111 GLU HG2 . 6725 1 1256 . 1 1 111 111 GLU C C 13 178.77 0.1 . 1 . . . . 111 GLU C . 6725 1 1257 . 1 1 111 111 GLU CA C 13 55.36 0.1 . 1 . . . . 111 GLU CA . 6725 1 1258 . 1 1 111 111 GLU CB C 13 28.56 0.1 . 1 . . . . 111 GLU CB . 6725 1 1259 . 1 1 111 111 GLU N N 15 125.58 0.1 . 1 . . . . 111 GLU N . 6725 1 stop_ save_