data_30937 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30937 _Entry.Title ; Solution NMR structure of PDLIM7 PDZ bound to SNX17 peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-07-26 _Entry.Accession_date 2021-07-26 _Entry.Last_release_date 2021-07-30 _Entry.Original_release_date 2021-07-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. Healy M. D. . . 30937 2 B. Collins B. M. . . 30937 3 M. Mobli M. . . . 30937 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'STRUCTURAL PROTEIN' . 30937 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30937 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 430 30937 '15N chemical shifts' 118 30937 '1H chemical shifts' 696 30937 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 . . 2023-02-24 2021-07-26 update BMRB 'update entry citation' 30937 1 . . 2022-08-26 2021-07-26 original author 'original release' 30937 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7RM8 'BMRB Entry Tracking System' 30937 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30937 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36302387 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Proteomic identification and structural basis for the interaction between sorting nexin SNX17 and PDLIM family proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 30 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _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 1590 _Citation.Page_last 1602 _Citation.Year 2022 _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 Michael Healy M. D. . . 30937 1 2 Joanna Sacharz J. . . . 30937 1 3 Kerrie McNally K. E. . . 30937 1 4 Calum McConville C. . . . 30937 1 5 Vikas Tillu V. A. . . 30937 1 6 Ryan Hall R. J. . . 30937 1 7 Molly Chilton M. . . . 30937 1 8 Peter Cullen P. J. . . 30937 1 9 Mehdi Mobli M. . . . 30937 1 10 Rajesh Ghai R. . . . 30937 1 11 David Stroud D. A. . . 30937 1 12 Brett Collins B. M. . . 30937 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30937 _Assembly.ID 1 _Assembly.Name 'Isoform 4 of PDZ and LIM domain protein 7, Sorting nexin-17' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30937 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30937 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPMDSFKVVLEGPAPWGFRL QGGKDFNVPLSISRLTPGGK AAQAGVAVGDWVLSIDGENA GSLTHIEAQNKIRACGERLS LGLSRAGASAGASAGASAHG NFAFEGIGDEDL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11317.567 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'LIM mineralization protein' common 30937 1 LMP common 30937 1 'Protein enigma' common 30937 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 30937 1 2 . PRO . 30937 1 3 . MET . 30937 1 4 . ASP . 30937 1 5 . SER . 30937 1 6 . PHE . 30937 1 7 . LYS . 30937 1 8 . VAL . 30937 1 9 . VAL . 30937 1 10 . LEU . 30937 1 11 . GLU . 30937 1 12 . GLY . 30937 1 13 . PRO . 30937 1 14 . ALA . 30937 1 15 . PRO . 30937 1 16 . TRP . 30937 1 17 . GLY . 30937 1 18 . PHE . 30937 1 19 . ARG . 30937 1 20 . LEU . 30937 1 21 . GLN . 30937 1 22 . GLY . 30937 1 23 . GLY . 30937 1 24 . LYS . 30937 1 25 . ASP . 30937 1 26 . PHE . 30937 1 27 . ASN . 30937 1 28 . VAL . 30937 1 29 . PRO . 30937 1 30 . LEU . 30937 1 31 . SER . 30937 1 32 . ILE . 30937 1 33 . SER . 30937 1 34 . ARG . 30937 1 35 . LEU . 30937 1 36 . THR . 30937 1 37 . PRO . 30937 1 38 . GLY . 30937 1 39 . GLY . 30937 1 40 . LYS . 30937 1 41 . ALA . 30937 1 42 . ALA . 30937 1 43 . GLN . 30937 1 44 . ALA . 30937 1 45 . GLY . 30937 1 46 . VAL . 30937 1 47 . ALA . 30937 1 48 . VAL . 30937 1 49 . GLY . 30937 1 50 . ASP . 30937 1 51 . TRP . 30937 1 52 . VAL . 30937 1 53 . LEU . 30937 1 54 . SER . 30937 1 55 . ILE . 30937 1 56 . ASP . 30937 1 57 . GLY . 30937 1 58 . GLU . 30937 1 59 . ASN . 30937 1 60 . ALA . 30937 1 61 . GLY . 30937 1 62 . SER . 30937 1 63 . LEU . 30937 1 64 . THR . 30937 1 65 . HIS . 30937 1 66 . ILE . 30937 1 67 . GLU . 30937 1 68 . ALA . 30937 1 69 . GLN . 30937 1 70 . ASN . 30937 1 71 . LYS . 30937 1 72 . ILE . 30937 1 73 . ARG . 30937 1 74 . ALA . 30937 1 75 . CYS . 30937 1 76 . GLY . 30937 1 77 . GLU . 30937 1 78 . ARG . 30937 1 79 . LEU . 30937 1 80 . SER . 30937 1 81 . LEU . 30937 1 82 . GLY . 30937 1 83 . LEU . 30937 1 84 . SER . 30937 1 85 . ARG . 30937 1 86 . ALA . 30937 1 87 . GLY . 30937 1 88 . ALA . 30937 1 89 . SER . 30937 1 90 . ALA . 30937 1 91 . GLY . 30937 1 92 . ALA . 30937 1 93 . SER . 30937 1 94 . ALA . 30937 1 95 . GLY . 30937 1 96 . ALA . 30937 1 97 . SER . 30937 1 98 . ALA . 30937 1 99 . HIS . 30937 1 100 . GLY . 30937 1 101 . ASN . 30937 1 102 . PHE . 30937 1 103 . ALA . 30937 1 104 . PHE . 30937 1 105 . GLU . 30937 1 106 . GLY . 30937 1 107 . ILE . 30937 1 108 . GLY . 30937 1 109 . ASP . 30937 1 110 . GLU . 30937 1 111 . ASP . 30937 1 112 . LEU . 30937 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30937 1 . PRO 2 2 30937 1 . MET 3 3 30937 1 . ASP 4 4 30937 1 . SER 5 5 30937 1 . PHE 6 6 30937 1 . LYS 7 7 30937 1 . VAL 8 8 30937 1 . VAL 9 9 30937 1 . LEU 10 10 30937 1 . GLU 11 11 30937 1 . GLY 12 12 30937 1 . PRO 13 13 30937 1 . ALA 14 14 30937 1 . PRO 15 15 30937 1 . TRP 16 16 30937 1 . GLY 17 17 30937 1 . PHE 18 18 30937 1 . ARG 19 19 30937 1 . LEU 20 20 30937 1 . GLN 21 21 30937 1 . GLY 22 22 30937 1 . GLY 23 23 30937 1 . LYS 24 24 30937 1 . ASP 25 25 30937 1 . PHE 26 26 30937 1 . ASN 27 27 30937 1 . VAL 28 28 30937 1 . PRO 29 29 30937 1 . LEU 30 30 30937 1 . SER 31 31 30937 1 . ILE 32 32 30937 1 . SER 33 33 30937 1 . ARG 34 34 30937 1 . LEU 35 35 30937 1 . THR 36 36 30937 1 . PRO 37 37 30937 1 . GLY 38 38 30937 1 . GLY 39 39 30937 1 . LYS 40 40 30937 1 . ALA 41 41 30937 1 . ALA 42 42 30937 1 . GLN 43 43 30937 1 . ALA 44 44 30937 1 . GLY 45 45 30937 1 . VAL 46 46 30937 1 . ALA 47 47 30937 1 . VAL 48 48 30937 1 . GLY 49 49 30937 1 . ASP 50 50 30937 1 . TRP 51 51 30937 1 . VAL 52 52 30937 1 . LEU 53 53 30937 1 . SER 54 54 30937 1 . ILE 55 55 30937 1 . ASP 56 56 30937 1 . GLY 57 57 30937 1 . GLU 58 58 30937 1 . ASN 59 59 30937 1 . ALA 60 60 30937 1 . GLY 61 61 30937 1 . SER 62 62 30937 1 . LEU 63 63 30937 1 . THR 64 64 30937 1 . HIS 65 65 30937 1 . ILE 66 66 30937 1 . GLU 67 67 30937 1 . ALA 68 68 30937 1 . GLN 69 69 30937 1 . ASN 70 70 30937 1 . LYS 71 71 30937 1 . ILE 72 72 30937 1 . ARG 73 73 30937 1 . ALA 74 74 30937 1 . CYS 75 75 30937 1 . GLY 76 76 30937 1 . GLU 77 77 30937 1 . ARG 78 78 30937 1 . LEU 79 79 30937 1 . SER 80 80 30937 1 . LEU 81 81 30937 1 . GLY 82 82 30937 1 . LEU 83 83 30937 1 . SER 84 84 30937 1 . ARG 85 85 30937 1 . ALA 86 86 30937 1 . GLY 87 87 30937 1 . ALA 88 88 30937 1 . SER 89 89 30937 1 . ALA 90 90 30937 1 . GLY 91 91 30937 1 . ALA 92 92 30937 1 . SER 93 93 30937 1 . ALA 94 94 30937 1 . GLY 95 95 30937 1 . ALA 96 96 30937 1 . SER 97 97 30937 1 . ALA 98 98 30937 1 . HIS 99 99 30937 1 . GLY 100 100 30937 1 . ASN 101 101 30937 1 . PHE 102 102 30937 1 . ALA 103 103 30937 1 . PHE 104 104 30937 1 . GLU 105 105 30937 1 . GLY 106 106 30937 1 . ILE 107 107 30937 1 . GLY 108 108 30937 1 . ASP 109 109 30937 1 . GLU 110 110 30937 1 . ASP 111 111 30937 1 . LEU 112 112 30937 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 30937 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'PDLIM7, ENIGMA, SNX17, KIAA0064' . 30937 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 30937 _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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30937 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30937 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] PDLIM7_SNX17_Fusion, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PDLIM7_SNX17_Fusion '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30937 1 2 NaCl 'natural abundance' . . . . . . 75 . . mM . . . . 30937 1 3 Bis-Tris 'natural abundance' . . . . . . 20 . . mM . . . . 30937 1 4 DTT 'natural abundance' . . . . . . 4 . . mM . . . . 30937 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30937 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 75 . mM 30937 1 pH 5.8 . pH 30937 1 pressure 1 . atm 30937 1 temperature 298 . K 30937 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30937 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30937 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30937 1 'peak picking' . 30937 1 refinement . 30937 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30937 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30937 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30937 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30937 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30937 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 900 . . . 30937 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30937 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30937 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30937 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30937 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30937 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30937 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30937 1 7 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30937 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30937 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30937 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 water protons . . . . ppm 4.773 internal indirect 0.25144953 . . . . . 30937 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 30937 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . 30937 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30937 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30937 1 2 '2D 1H-13C HSQC' . . . 30937 1 3 '3D HNCACB' . . . 30937 1 4 '3D CBCA(CO)NH' . . . 30937 1 5 '3D HNCO' . . . 30937 1 6 '3D HBHA(CO)NH' . . . 30937 1 7 '3D H(CCO)NH' . . . 30937 1 8 '3D H(CCO)NH' . . . 30937 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 MET HA H 1 4.557 0.008 . 1 . . . . A 1 MET HA . 30937 1 2 . 1 . 1 3 3 MET HB2 H 1 1.920 0.003 . 2 . . . . A 1 MET HB2 . 30937 1 3 . 1 . 1 3 3 MET HB3 H 1 2.060 0.006 . 2 . . . . A 1 MET HB3 . 30937 1 4 . 1 . 1 3 3 MET HG2 H 1 2.386 0.003 . 2 . . . . A 1 MET HG2 . 30937 1 5 . 1 . 1 3 3 MET HG3 H 1 2.509 0.006 . 2 . . . . A 1 MET HG3 . 30937 1 6 . 1 . 1 3 3 MET C C 13 175.634 0.000 . 1 . . . . A 1 MET C . 30937 1 7 . 1 . 1 3 3 MET CA C 13 55.327 0.019 . 1 . . . . A 1 MET CA . 30937 1 8 . 1 . 1 3 3 MET CB C 13 32.942 0.071 . 1 . . . . A 1 MET CB . 30937 1 9 . 1 . 1 3 3 MET CG C 13 32.207 0.026 . 1 . . . . A 1 MET CG . 30937 1 10 . 1 . 1 4 4 ASP H H 1 8.415 0.002 . 1 . . . . A 2 ASP H . 30937 1 11 . 1 . 1 4 4 ASP HA H 1 4.680 0.000 . 1 . . . . A 2 ASP HA . 30937 1 12 . 1 . 1 4 4 ASP HB2 H 1 2.636 0.003 . 2 . . . . A 2 ASP HB2 . 30937 1 13 . 1 . 1 4 4 ASP HB3 H 1 2.742 0.002 . 2 . . . . A 2 ASP HB3 . 30937 1 14 . 1 . 1 4 4 ASP C C 13 176.051 0.000 . 1 . . . . A 2 ASP C . 30937 1 15 . 1 . 1 4 4 ASP CA C 13 55.046 0.000 . 1 . . . . A 2 ASP CA . 30937 1 16 . 1 . 1 4 4 ASP CB C 13 41.322 0.018 . 1 . . . . A 2 ASP CB . 30937 1 17 . 1 . 1 4 4 ASP N N 15 121.472 0.000 . 1 . . . . A 2 ASP N . 30937 1 18 . 1 . 1 5 5 SER H H 1 8.130 0.000 . 1 . . . . A 3 SER H . 30937 1 19 . 1 . 1 5 5 SER HA H 1 5.216 0.002 . 1 . . . . A 3 SER HA . 30937 1 20 . 1 . 1 5 5 SER HB2 H 1 3.818 0.000 . 2 . . . . A 3 SER HB2 . 30937 1 21 . 1 . 1 5 5 SER HB3 H 1 3.777 0.000 . 2 . . . . A 3 SER HB3 . 30937 1 22 . 1 . 1 5 5 SER HG H 1 5.512 0.000 . 1 . . . . A 3 SER HG . 30937 1 23 . 1 . 1 5 5 SER C C 13 173.321 0.000 . 1 . . . . A 3 SER C . 30937 1 24 . 1 . 1 5 5 SER CA C 13 57.595 0.000 . 1 . . . . A 3 SER CA . 30937 1 25 . 1 . 1 5 5 SER CB C 13 64.856 0.002 . 1 . . . . A 3 SER CB . 30937 1 26 . 1 . 1 5 5 SER N N 15 115.613 0.000 . 1 . . . . A 3 SER N . 30937 1 27 . 1 . 1 6 6 PHE H H 1 8.906 0.000 . 1 . . . . A 4 PHE H . 30937 1 28 . 1 . 1 6 6 PHE HA H 1 5.001 0.001 . 1 . . . . A 4 PHE HA . 30937 1 29 . 1 . 1 6 6 PHE HB2 H 1 3.018 0.009 . 1 . . . . A 4 PHE HB2 . 30937 1 30 . 1 . 1 6 6 PHE HB3 H 1 3.219 0.004 . 1 . . . . A 4 PHE HB3 . 30937 1 31 . 1 . 1 6 6 PHE HD1 H 1 6.974 0.000 . 1 . . . . A 4 PHE HD1 . 30937 1 32 . 1 . 1 6 6 PHE HD2 H 1 6.974 0.000 . 1 . . . . A 4 PHE HD2 . 30937 1 33 . 1 . 1 6 6 PHE HE1 H 1 7.270 0.000 . 1 . . . . A 4 PHE HE1 . 30937 1 34 . 1 . 1 6 6 PHE HE2 H 1 7.270 0.000 . 1 . . . . A 4 PHE HE2 . 30937 1 35 . 1 . 1 6 6 PHE HZ H 1 6.937 0.000 . 1 . . . . A 4 PHE HZ . 30937 1 36 . 1 . 1 6 6 PHE C C 13 172.243 0.000 . 1 . . . . A 4 PHE C . 30937 1 37 . 1 . 1 6 6 PHE CA C 13 56.036 0.028 . 1 . . . . A 4 PHE CA . 30937 1 38 . 1 . 1 6 6 PHE CB C 13 40.294 0.033 . 1 . . . . A 4 PHE CB . 30937 1 39 . 1 . 1 6 6 PHE CD1 C 13 132.754 0.002 . 1 . . . . A 4 PHE CD1 . 30937 1 40 . 1 . 1 6 6 PHE CD2 C 13 132.754 0.002 . 1 . . . . A 4 PHE CD2 . 30937 1 41 . 1 . 1 6 6 PHE CE1 C 13 130.785 0.031 . 1 . . . . A 4 PHE CE1 . 30937 1 42 . 1 . 1 6 6 PHE CE2 C 13 130.785 0.031 . 1 . . . . A 4 PHE CE2 . 30937 1 43 . 1 . 1 6 6 PHE CZ C 13 130.658 0.029 . 1 . . . . A 4 PHE CZ . 30937 1 44 . 1 . 1 6 6 PHE N N 15 121.193 0.000 . 1 . . . . A 4 PHE N . 30937 1 45 . 1 . 1 7 7 LYS H H 1 8.621 0.000 . 1 . . . . A 5 LYS H . 30937 1 46 . 1 . 1 7 7 LYS HA H 1 5.297 0.004 . 1 . . . . A 5 LYS HA . 30937 1 47 . 1 . 1 7 7 LYS HB2 H 1 1.668 0.007 . 1 . . . . A 5 LYS HB2 . 30937 1 48 . 1 . 1 7 7 LYS HB3 H 1 1.648 0.000 . 1 . . . . A 5 LYS HB3 . 30937 1 49 . 1 . 1 7 7 LYS HG2 H 1 1.173 0.006 . 1 . . . . A 5 LYS HG2 . 30937 1 50 . 1 . 1 7 7 LYS HG3 H 1 1.299 0.008 . 1 . . . . A 5 LYS HG3 . 30937 1 51 . 1 . 1 7 7 LYS HD2 H 1 1.521 0.009 . 1 . . . . A 5 LYS HD2 . 30937 1 52 . 1 . 1 7 7 LYS HD3 H 1 1.519 0.010 . 1 . . . . A 5 LYS HD3 . 30937 1 53 . 1 . 1 7 7 LYS HE2 H 1 2.811 0.005 . 2 . . . . A 5 LYS HE2 . 30937 1 54 . 1 . 1 7 7 LYS HE3 H 1 2.811 0.005 . 2 . . . . A 5 LYS HE3 . 30937 1 55 . 1 . 1 7 7 LYS C C 13 176.318 0.000 . 1 . . . . A 5 LYS C . 30937 1 56 . 1 . 1 7 7 LYS CA C 13 54.574 0.006 . 1 . . . . A 5 LYS CA . 30937 1 57 . 1 . 1 7 7 LYS CB C 13 35.419 0.002 . 1 . . . . A 5 LYS CB . 30937 1 58 . 1 . 1 7 7 LYS CG C 13 24.758 0.015 . 1 . . . . A 5 LYS CG . 30937 1 59 . 1 . 1 7 7 LYS CD C 13 29.265 0.024 . 1 . . . . A 5 LYS CD . 30937 1 60 . 1 . 1 7 7 LYS CE C 13 41.885 0.012 . 1 . . . . A 5 LYS CE . 30937 1 61 . 1 . 1 7 7 LYS N N 15 121.238 0.000 . 1 . . . . A 5 LYS N . 30937 1 62 . 1 . 1 8 8 VAL H H 1 8.723 0.000 . 1 . . . . A 6 VAL H . 30937 1 63 . 1 . 1 8 8 VAL HA H 1 4.599 0.001 . 1 . . . . A 6 VAL HA . 30937 1 64 . 1 . 1 8 8 VAL HB H 1 1.858 0.003 . 1 . . . . A 6 VAL HB . 30937 1 65 . 1 . 1 8 8 VAL HG11 H 1 0.873 0.007 . 1 . . . . A 6 VAL HG11 . 30937 1 66 . 1 . 1 8 8 VAL HG12 H 1 0.873 0.007 . 1 . . . . A 6 VAL HG12 . 30937 1 67 . 1 . 1 8 8 VAL HG13 H 1 0.873 0.007 . 1 . . . . A 6 VAL HG13 . 30937 1 68 . 1 . 1 8 8 VAL HG21 H 1 0.756 0.004 . 1 . . . . A 6 VAL HG21 . 30937 1 69 . 1 . 1 8 8 VAL HG22 H 1 0.756 0.004 . 1 . . . . A 6 VAL HG22 . 30937 1 70 . 1 . 1 8 8 VAL HG23 H 1 0.756 0.004 . 1 . . . . A 6 VAL HG23 . 30937 1 71 . 1 . 1 8 8 VAL C C 13 173.674 0.000 . 1 . . . . A 6 VAL C . 30937 1 72 . 1 . 1 8 8 VAL CA C 13 59.979 0.026 . 1 . . . . A 6 VAL CA . 30937 1 73 . 1 . 1 8 8 VAL CB C 13 35.429 0.007 . 1 . . . . A 6 VAL CB . 30937 1 74 . 1 . 1 8 8 VAL CG1 C 13 21.755 0.011 . 1 . . . . A 6 VAL CG1 . 30937 1 75 . 1 . 1 8 8 VAL CG2 C 13 20.541 0.008 . 1 . . . . A 6 VAL CG2 . 30937 1 76 . 1 . 1 8 8 VAL N N 15 119.246 0.000 . 1 . . . . A 6 VAL N . 30937 1 77 . 1 . 1 9 9 VAL H H 1 8.500 0.001 . 1 . . . . A 7 VAL H . 30937 1 78 . 1 . 1 9 9 VAL HA H 1 4.699 0.010 . 1 . . . . A 7 VAL HA . 30937 1 79 . 1 . 1 9 9 VAL HB H 1 1.913 0.004 . 1 . . . . A 7 VAL HB . 30937 1 80 . 1 . 1 9 9 VAL HG11 H 1 0.832 0.001 . 2 . . . . A 7 VAL HG11 . 30937 1 81 . 1 . 1 9 9 VAL HG12 H 1 0.832 0.001 . 2 . . . . A 7 VAL HG12 . 30937 1 82 . 1 . 1 9 9 VAL HG13 H 1 0.832 0.001 . 2 . . . . A 7 VAL HG13 . 30937 1 83 . 1 . 1 9 9 VAL HG21 H 1 0.724 0.006 . 2 . . . . A 7 VAL HG21 . 30937 1 84 . 1 . 1 9 9 VAL HG22 H 1 0.724 0.006 . 2 . . . . A 7 VAL HG22 . 30937 1 85 . 1 . 1 9 9 VAL HG23 H 1 0.724 0.006 . 2 . . . . A 7 VAL HG23 . 30937 1 86 . 1 . 1 9 9 VAL C C 13 175.161 0.000 . 1 . . . . A 7 VAL C . 30937 1 87 . 1 . 1 9 9 VAL CA C 13 61.328 0.000 . 1 . . . . A 7 VAL CA . 30937 1 88 . 1 . 1 9 9 VAL CB C 13 33.388 0.032 . 1 . . . . A 7 VAL CB . 30937 1 89 . 1 . 1 9 9 VAL CG1 C 13 20.874 0.000 . 1 . . . . A 7 VAL CG1 . 30937 1 90 . 1 . 1 9 9 VAL CG2 C 13 20.993 0.038 . 1 . . . . A 7 VAL CG2 . 30937 1 91 . 1 . 1 9 9 VAL N N 15 124.379 0.000 . 1 . . . . A 7 VAL N . 30937 1 92 . 1 . 1 10 10 LEU H H 1 9.157 0.000 . 1 . . . . A 8 LEU H . 30937 1 93 . 1 . 1 10 10 LEU HA H 1 4.704 0.009 . 1 . . . . A 8 LEU HA . 30937 1 94 . 1 . 1 10 10 LEU HB2 H 1 1.438 0.004 . 1 . . . . A 8 LEU HB2 . 30937 1 95 . 1 . 1 10 10 LEU HB3 H 1 1.690 0.010 . 1 . . . . A 8 LEU HB3 . 30937 1 96 . 1 . 1 10 10 LEU HG H 1 1.525 0.009 . 1 . . . . A 8 LEU HG . 30937 1 97 . 1 . 1 10 10 LEU HD11 H 1 0.879 0.004 . 1 . . . . A 8 LEU HD11 . 30937 1 98 . 1 . 1 10 10 LEU HD12 H 1 0.879 0.004 . 1 . . . . A 8 LEU HD12 . 30937 1 99 . 1 . 1 10 10 LEU HD13 H 1 0.879 0.004 . 1 . . . . A 8 LEU HD13 . 30937 1 100 . 1 . 1 10 10 LEU HD21 H 1 0.745 0.005 . 1 . . . . A 8 LEU HD21 . 30937 1 101 . 1 . 1 10 10 LEU HD22 H 1 0.745 0.005 . 1 . . . . A 8 LEU HD22 . 30937 1 102 . 1 . 1 10 10 LEU HD23 H 1 0.745 0.005 . 1 . . . . A 8 LEU HD23 . 30937 1 103 . 1 . 1 10 10 LEU C C 13 175.471 0.000 . 1 . . . . A 8 LEU C . 30937 1 104 . 1 . 1 10 10 LEU CA C 13 52.862 0.000 . 1 . . . . A 8 LEU CA . 30937 1 105 . 1 . 1 10 10 LEU CB C 13 43.390 0.001 . 1 . . . . A 8 LEU CB . 30937 1 106 . 1 . 1 10 10 LEU CG C 13 27.372 0.012 . 1 . . . . A 8 LEU CG . 30937 1 107 . 1 . 1 10 10 LEU CD1 C 13 25.992 0.014 . 1 . . . . A 8 LEU CD1 . 30937 1 108 . 1 . 1 10 10 LEU CD2 C 13 24.569 0.015 . 1 . . . . A 8 LEU CD2 . 30937 1 109 . 1 . 1 10 10 LEU N N 15 127.216 0.000 . 1 . . . . A 8 LEU N . 30937 1 110 . 1 . 1 11 11 GLU H H 1 8.833 0.001 . 1 . . . . A 9 GLU H . 30937 1 111 . 1 . 1 11 11 GLU HA H 1 4.685 0.006 . 1 . . . . A 9 GLU HA . 30937 1 112 . 1 . 1 11 11 GLU HB2 H 1 2.028 0.003 . 1 . . . . A 9 GLU HB2 . 30937 1 113 . 1 . 1 11 11 GLU HB3 H 1 2.223 0.009 . 1 . . . . A 9 GLU HB3 . 30937 1 114 . 1 . 1 11 11 GLU HG2 H 1 2.400 0.008 . 1 . . . . A 9 GLU HG2 . 30937 1 115 . 1 . 1 11 11 GLU HG3 H 1 2.464 0.000 . 1 . . . . A 9 GLU HG3 . 30937 1 116 . 1 . 1 11 11 GLU C C 13 177.211 0.000 . 1 . . . . A 9 GLU C . 30937 1 117 . 1 . 1 11 11 GLU CA C 13 55.841 0.000 . 1 . . . . A 9 GLU CA . 30937 1 118 . 1 . 1 11 11 GLU CB C 13 30.755 0.023 . 1 . . . . A 9 GLU CB . 30937 1 119 . 1 . 1 11 11 GLU CG C 13 35.706 0.009 . 1 . . . . A 9 GLU CG . 30937 1 120 . 1 . 1 11 11 GLU N N 15 123.214 0.000 . 1 . . . . A 9 GLU N . 30937 1 121 . 1 . 1 12 12 GLY H H 1 8.589 0.001 . 1 . . . . A 10 GLY H . 30937 1 122 . 1 . 1 12 12 GLY HA2 H 1 3.999 0.000 . 2 . . . . A 10 GLY HA2 . 30937 1 123 . 1 . 1 12 12 GLY HA3 H 1 3.936 0.000 . 2 . . . . A 10 GLY HA3 . 30937 1 124 . 1 . 1 12 12 GLY CA C 13 45.315 0.002 . 1 . . . . A 10 GLY CA . 30937 1 125 . 1 . 1 12 12 GLY N N 15 111.974 0.000 . 1 . . . . A 10 GLY N . 30937 1 126 . 1 . 1 13 13 PRO HA H 1 4.382 0.004 . 1 . . . . A 11 PRO HA . 30937 1 127 . 1 . 1 13 13 PRO HB2 H 1 2.299 0.008 . 1 . . . . A 11 PRO HB2 . 30937 1 128 . 1 . 1 13 13 PRO HB3 H 1 2.201 0.008 . 1 . . . . A 11 PRO HB3 . 30937 1 129 . 1 . 1 13 13 PRO HG2 H 1 1.866 0.006 . 2 . . . . A 11 PRO HG2 . 30937 1 130 . 1 . 1 13 13 PRO HG3 H 1 1.704 0.008 . 2 . . . . A 11 PRO HG3 . 30937 1 131 . 1 . 1 13 13 PRO HD2 H 1 3.495 0.008 . 2 . . . . A 11 PRO HD2 . 30937 1 132 . 1 . 1 13 13 PRO HD3 H 1 3.464 0.006 . 2 . . . . A 11 PRO HD3 . 30937 1 133 . 1 . 1 13 13 PRO C C 13 175.418 0.000 . 1 . . . . A 11 PRO C . 30937 1 134 . 1 . 1 13 13 PRO CA C 13 62.106 0.017 . 1 . . . . A 11 PRO CA . 30937 1 135 . 1 . 1 13 13 PRO CB C 13 35.338 0.024 . 1 . . . . A 11 PRO CB . 30937 1 136 . 1 . 1 13 13 PRO CG C 13 24.720 0.001 . 1 . . . . A 11 PRO CG . 30937 1 137 . 1 . 1 13 13 PRO CD C 13 50.261 0.024 . 1 . . . . A 11 PRO CD . 30937 1 138 . 1 . 1 14 14 ALA H H 1 7.804 0.000 . 1 . . . . A 12 ALA H . 30937 1 139 . 1 . 1 14 14 ALA HB1 H 1 0.609 0.000 . 1 . . . . A 12 ALA HB1 . 30937 1 140 . 1 . 1 14 14 ALA HB2 H 1 0.609 0.000 . 1 . . . . A 12 ALA HB2 . 30937 1 141 . 1 . 1 14 14 ALA HB3 H 1 0.609 0.000 . 1 . . . . A 12 ALA HB3 . 30937 1 142 . 1 . 1 14 14 ALA CA C 13 50.836 0.000 . 1 . . . . A 12 ALA CA . 30937 1 143 . 1 . 1 14 14 ALA CB C 13 15.531 0.000 . 1 . . . . A 12 ALA CB . 30937 1 144 . 1 . 1 14 14 ALA N N 15 124.054 0.000 . 1 . . . . A 12 ALA N . 30937 1 145 . 1 . 1 15 15 PRO HA H 1 4.215 0.003 . 1 . . . . A 13 PRO HA . 30937 1 146 . 1 . 1 15 15 PRO HB2 H 1 1.939 0.003 . 2 . . . . A 13 PRO HB2 . 30937 1 147 . 1 . 1 15 15 PRO HB3 H 1 2.339 0.010 . 2 . . . . A 13 PRO HB3 . 30937 1 148 . 1 . 1 15 15 PRO HG2 H 1 1.781 0.009 . 2 . . . . A 13 PRO HG2 . 30937 1 149 . 1 . 1 15 15 PRO HG3 H 1 1.781 0.009 . 2 . . . . A 13 PRO HG3 . 30937 1 150 . 1 . 1 15 15 PRO HD2 H 1 3.421 0.003 . 2 . . . . A 13 PRO HD2 . 30937 1 151 . 1 . 1 15 15 PRO HD3 H 1 3.421 0.003 . 2 . . . . A 13 PRO HD3 . 30937 1 152 . 1 . 1 15 15 PRO C C 13 176.521 0.000 . 1 . . . . A 13 PRO C . 30937 1 153 . 1 . 1 15 15 PRO CA C 13 61.671 0.026 . 1 . . . . A 13 PRO CA . 30937 1 154 . 1 . 1 15 15 PRO CB C 13 35.673 0.009 . 1 . . . . A 13 PRO CB . 30937 1 155 . 1 . 1 15 15 PRO CG C 13 24.766 0.026 . 1 . . . . A 13 PRO CG . 30937 1 156 . 1 . 1 15 15 PRO CD C 13 51.958 0.018 . 1 . . . . A 13 PRO CD . 30937 1 157 . 1 . 1 16 16 TRP H H 1 11.415 0.003 . 1 . . . . A 14 TRP H . 30937 1 158 . 1 . 1 16 16 TRP HA H 1 4.843 0.001 . 1 . . . . A 14 TRP HA . 30937 1 159 . 1 . 1 16 16 TRP HB2 H 1 2.786 0.007 . 1 . . . . A 14 TRP HB2 . 30937 1 160 . 1 . 1 16 16 TRP HB3 H 1 3.394 0.005 . 1 . . . . A 14 TRP HB3 . 30937 1 161 . 1 . 1 16 16 TRP HD1 H 1 6.906 0.000 . 1 . . . . A 14 TRP HD1 . 30937 1 162 . 1 . 1 16 16 TRP HE1 H 1 9.932 0.000 . 1 . . . . A 14 TRP HE1 . 30937 1 163 . 1 . 1 16 16 TRP HE3 H 1 7.246 0.000 . 1 . . . . A 14 TRP HE3 . 30937 1 164 . 1 . 1 16 16 TRP HZ2 H 1 7.370 0.001 . 1 . . . . A 14 TRP HZ2 . 30937 1 165 . 1 . 1 16 16 TRP HH2 H 1 6.557 0.000 . 1 . . . . A 14 TRP HH2 . 30937 1 166 . 1 . 1 16 16 TRP C C 13 176.618 0.000 . 1 . . . . A 14 TRP C . 30937 1 167 . 1 . 1 16 16 TRP CA C 13 57.370 0.000 . 1 . . . . A 14 TRP CA . 30937 1 168 . 1 . 1 16 16 TRP CB C 13 32.610 0.026 . 1 . . . . A 14 TRP CB . 30937 1 169 . 1 . 1 16 16 TRP CD1 C 13 128.246 0.035 . 1 . . . . A 14 TRP CD1 . 30937 1 170 . 1 . 1 16 16 TRP CE3 C 13 120.440 0.059 . 1 . . . . A 14 TRP CE3 . 30937 1 171 . 1 . 1 16 16 TRP CZ2 C 13 115.460 0.061 . 1 . . . . A 14 TRP CZ2 . 30937 1 172 . 1 . 1 16 16 TRP CH2 C 13 123.731 0.004 . 1 . . . . A 14 TRP CH2 . 30937 1 173 . 1 . 1 16 16 TRP N N 15 131.540 0.000 . 1 . . . . A 14 TRP N . 30937 1 174 . 1 . 1 16 16 TRP NE1 N 15 128.083 0.016 . 1 . . . . A 14 TRP NE1 . 30937 1 175 . 1 . 1 17 17 GLY H H 1 10.159 0.004 . 1 . . . . A 15 GLY H . 30937 1 176 . 1 . 1 17 17 GLY HA2 H 1 4.120 0.001 . 1 . . . . A 15 GLY HA2 . 30937 1 177 . 1 . 1 17 17 GLY HA3 H 1 4.522 0.002 . 1 . . . . A 15 GLY HA3 . 30937 1 178 . 1 . 1 17 17 GLY C C 13 176.516 0.000 . 1 . . . . A 15 GLY C . 30937 1 179 . 1 . 1 17 17 GLY CA C 13 46.622 0.019 . 1 . . . . A 15 GLY CA . 30937 1 180 . 1 . 1 17 17 GLY N N 15 106.936 0.000 . 1 . . . . A 15 GLY N . 30937 1 181 . 1 . 1 18 18 PHE H H 1 7.886 0.000 . 1 . . . . A 16 PHE H . 30937 1 182 . 1 . 1 18 18 PHE HA H 1 5.582 0.002 . 1 . . . . A 16 PHE HA . 30937 1 183 . 1 . 1 18 18 PHE HB2 H 1 3.074 0.005 . 1 . . . . A 16 PHE HB2 . 30937 1 184 . 1 . 1 18 18 PHE HB3 H 1 3.408 0.002 . 1 . . . . A 16 PHE HB3 . 30937 1 185 . 1 . 1 18 18 PHE HD1 H 1 6.848 0.000 . 1 . . . . A 16 PHE HD1 . 30937 1 186 . 1 . 1 18 18 PHE HD2 H 1 6.848 0.000 . 1 . . . . A 16 PHE HD2 . 30937 1 187 . 1 . 1 18 18 PHE HE1 H 1 6.889 0.000 . 1 . . . . A 16 PHE HE1 . 30937 1 188 . 1 . 1 18 18 PHE HE2 H 1 6.889 0.000 . 1 . . . . A 16 PHE HE2 . 30937 1 189 . 1 . 1 18 18 PHE HZ H 1 6.933 0.000 . 1 . . . . A 16 PHE HZ . 30937 1 190 . 1 . 1 18 18 PHE C C 13 171.642 0.000 . 1 . . . . A 16 PHE C . 30937 1 191 . 1 . 1 18 18 PHE CA C 13 56.847 0.010 . 1 . . . . A 16 PHE CA . 30937 1 192 . 1 . 1 18 18 PHE CB C 13 41.558 0.054 . 1 . . . . A 16 PHE CB . 30937 1 193 . 1 . 1 18 18 PHE CD1 C 13 132.166 0.027 . 1 . . . . A 16 PHE CD1 . 30937 1 194 . 1 . 1 18 18 PHE CD2 C 13 132.166 0.027 . 1 . . . . A 16 PHE CD2 . 30937 1 195 . 1 . 1 18 18 PHE CE1 C 13 130.058 0.022 . 1 . . . . A 16 PHE CE1 . 30937 1 196 . 1 . 1 18 18 PHE CE2 C 13 130.058 0.022 . 1 . . . . A 16 PHE CE2 . 30937 1 197 . 1 . 1 18 18 PHE CZ C 13 128.261 0.051 . 1 . . . . A 16 PHE CZ . 30937 1 198 . 1 . 1 18 18 PHE N N 15 118.361 0.000 . 1 . . . . A 16 PHE N . 30937 1 199 . 1 . 1 19 19 ARG H H 1 8.129 0.000 . 1 . . . . A 17 ARG H . 30937 1 200 . 1 . 1 19 19 ARG HA H 1 4.876 0.000 . 1 . . . . A 17 ARG HA . 30937 1 201 . 1 . 1 19 19 ARG HB2 H 1 1.821 0.010 . 1 . . . . A 17 ARG HB2 . 30937 1 202 . 1 . 1 19 19 ARG HB3 H 1 1.756 0.000 . 1 . . . . A 17 ARG HB3 . 30937 1 203 . 1 . 1 19 19 ARG HG2 H 1 1.652 0.004 . 2 . . . . A 17 ARG HG2 . 30937 1 204 . 1 . 1 19 19 ARG HG3 H 1 1.652 0.004 . 2 . . . . A 17 ARG HG3 . 30937 1 205 . 1 . 1 19 19 ARG HD2 H 1 3.044 0.002 . 1 . . . . A 17 ARG HD2 . 30937 1 206 . 1 . 1 19 19 ARG HD3 H 1 2.748 0.005 . 1 . . . . A 17 ARG HD3 . 30937 1 207 . 1 . 1 19 19 ARG HE H 1 7.588 0.001 . 1 . . . . A 17 ARG HE . 30937 1 208 . 1 . 1 19 19 ARG C C 13 175.723 0.000 . 1 . . . . A 17 ARG C . 30937 1 209 . 1 . 1 19 19 ARG CA C 13 55.019 0.000 . 1 . . . . A 17 ARG CA . 30937 1 210 . 1 . 1 19 19 ARG CB C 13 35.226 0.012 . 1 . . . . A 17 ARG CB . 30937 1 211 . 1 . 1 19 19 ARG CG C 13 26.986 0.002 . 1 . . . . A 17 ARG CG . 30937 1 212 . 1 . 1 19 19 ARG CD C 13 44.079 0.006 . 1 . . . . A 17 ARG CD . 30937 1 213 . 1 . 1 19 19 ARG N N 15 114.923 0.000 . 1 . . . . A 17 ARG N . 30937 1 214 . 1 . 1 19 19 ARG NE N 15 84.900 0.022 . 1 . . . . A 17 ARG NE . 30937 1 215 . 1 . 1 20 20 LEU H H 1 9.387 0.000 . 1 . . . . A 18 LEU H . 30937 1 216 . 1 . 1 20 20 LEU HA H 1 5.477 0.003 . 1 . . . . A 18 LEU HA . 30937 1 217 . 1 . 1 20 20 LEU HB2 H 1 1.414 0.008 . 1 . . . . A 18 LEU HB2 . 30937 1 218 . 1 . 1 20 20 LEU HB3 H 1 1.603 0.010 . 1 . . . . A 18 LEU HB3 . 30937 1 219 . 1 . 1 20 20 LEU HG H 1 1.765 0.007 . 1 . . . . A 18 LEU HG . 30937 1 220 . 1 . 1 20 20 LEU HD11 H 1 0.848 0.010 . 2 . . . . A 18 LEU HD11 . 30937 1 221 . 1 . 1 20 20 LEU HD12 H 1 0.848 0.010 . 2 . . . . A 18 LEU HD12 . 30937 1 222 . 1 . 1 20 20 LEU HD13 H 1 0.848 0.010 . 2 . . . . A 18 LEU HD13 . 30937 1 223 . 1 . 1 20 20 LEU HD21 H 1 0.842 0.009 . 2 . . . . A 18 LEU HD21 . 30937 1 224 . 1 . 1 20 20 LEU HD22 H 1 0.842 0.009 . 2 . . . . A 18 LEU HD22 . 30937 1 225 . 1 . 1 20 20 LEU HD23 H 1 0.842 0.009 . 2 . . . . A 18 LEU HD23 . 30937 1 226 . 1 . 1 20 20 LEU C C 13 176.769 0.000 . 1 . . . . A 18 LEU C . 30937 1 227 . 1 . 1 20 20 LEU CA C 13 53.429 0.032 . 1 . . . . A 18 LEU CA . 30937 1 228 . 1 . 1 20 20 LEU CB C 13 46.518 0.002 . 1 . . . . A 18 LEU CB . 30937 1 229 . 1 . 1 20 20 LEU CG C 13 25.911 0.073 . 1 . . . . A 18 LEU CG . 30937 1 230 . 1 . 1 20 20 LEU CD1 C 13 25.119 0.000 . 1 . . . . A 18 LEU CD1 . 30937 1 231 . 1 . 1 20 20 LEU CD2 C 13 25.119 0.000 . 1 . . . . A 18 LEU CD2 . 30937 1 232 . 1 . 1 20 20 LEU N N 15 122.098 0.000 . 1 . . . . A 18 LEU N . 30937 1 233 . 1 . 1 21 21 GLN H H 1 9.248 0.000 . 1 . . . . A 19 GLN H . 30937 1 234 . 1 . 1 21 21 GLN HA H 1 4.791 0.010 . 1 . . . . A 19 GLN HA . 30937 1 235 . 1 . 1 21 21 GLN HB2 H 1 1.912 0.004 . 1 . . . . A 19 GLN HB2 . 30937 1 236 . 1 . 1 21 21 GLN HB3 H 1 1.914 0.005 . 1 . . . . A 19 GLN HB3 . 30937 1 237 . 1 . 1 21 21 GLN HG2 H 1 2.163 0.003 . 2 . . . . A 19 GLN HG2 . 30937 1 238 . 1 . 1 21 21 GLN HG3 H 1 2.163 0.003 . 2 . . . . A 19 GLN HG3 . 30937 1 239 . 1 . 1 21 21 GLN HE21 H 1 7.207 0.000 . 1 . . . . A 19 GLN HE21 . 30937 1 240 . 1 . 1 21 21 GLN HE22 H 1 6.708 0.001 . 1 . . . . A 19 GLN HE22 . 30937 1 241 . 1 . 1 21 21 GLN C C 13 174.505 0.000 . 1 . . . . A 19 GLN C . 30937 1 242 . 1 . 1 21 21 GLN CA C 13 53.497 0.000 . 1 . . . . A 19 GLN CA . 30937 1 243 . 1 . 1 21 21 GLN CB C 13 32.131 0.025 . 1 . . . . A 19 GLN CB . 30937 1 244 . 1 . 1 21 21 GLN CG C 13 32.911 0.059 . 1 . . . . A 19 GLN CG . 30937 1 245 . 1 . 1 21 21 GLN N N 15 118.897 0.004 . 1 . . . . A 19 GLN N . 30937 1 246 . 1 . 1 21 21 GLN NE2 N 15 111.230 0.045 . 1 . . . . A 19 GLN NE2 . 30937 1 247 . 1 . 1 22 22 GLY H H 1 8.292 0.000 . 1 . . . . A 20 GLY H . 30937 1 248 . 1 . 1 22 22 GLY HA2 H 1 3.232 0.002 . 1 . . . . A 20 GLY HA2 . 30937 1 249 . 1 . 1 22 22 GLY HA3 H 1 4.373 0.002 . 1 . . . . A 20 GLY HA3 . 30937 1 250 . 1 . 1 22 22 GLY C C 13 173.135 0.000 . 1 . . . . A 20 GLY C . 30937 1 251 . 1 . 1 22 22 GLY CA C 13 45.131 0.048 . 1 . . . . A 20 GLY CA . 30937 1 252 . 1 . 1 22 22 GLY N N 15 106.275 0.000 . 1 . . . . A 20 GLY N . 30937 1 253 . 1 . 1 23 23 GLY H H 1 7.765 0.000 . 1 . . . . A 21 GLY H . 30937 1 254 . 1 . 1 23 23 GLY HA2 H 1 4.007 0.005 . 2 . . . . A 21 GLY HA2 . 30937 1 255 . 1 . 1 23 23 GLY HA3 H 1 4.924 0.009 . 2 . . . . A 21 GLY HA3 . 30937 1 256 . 1 . 1 23 23 GLY C C 13 175.649 0.000 . 1 . . . . A 21 GLY C . 30937 1 257 . 1 . 1 23 23 GLY CA C 13 43.709 0.097 . 1 . . . . A 21 GLY CA . 30937 1 258 . 1 . 1 23 23 GLY N N 15 104.613 0.000 . 1 . . . . A 21 GLY N . 30937 1 259 . 1 . 1 24 24 LYS H H 1 8.559 0.000 . 1 . . . . A 22 LYS H . 30937 1 260 . 1 . 1 24 24 LYS HA H 1 4.144 0.006 . 1 . . . . A 22 LYS HA . 30937 1 261 . 1 . 1 24 24 LYS HB2 H 1 1.706 0.007 . 1 . . . . A 22 LYS HB2 . 30937 1 262 . 1 . 1 24 24 LYS HB3 H 1 1.394 0.007 . 1 . . . . A 22 LYS HB3 . 30937 1 263 . 1 . 1 24 24 LYS HG2 H 1 1.334 0.000 . 2 . . . . A 22 LYS HG2 . 30937 1 264 . 1 . 1 24 24 LYS HG3 H 1 1.468 0.000 . 2 . . . . A 22 LYS HG3 . 30937 1 265 . 1 . 1 24 24 LYS HD2 H 1 1.444 0.007 . 2 . . . . A 22 LYS HD2 . 30937 1 266 . 1 . 1 24 24 LYS HD3 H 1 1.444 0.007 . 2 . . . . A 22 LYS HD3 . 30937 1 267 . 1 . 1 24 24 LYS C C 13 178.268 0.000 . 1 . . . . A 22 LYS C . 30937 1 268 . 1 . 1 24 24 LYS CA C 13 59.731 0.015 . 1 . . . . A 22 LYS CA . 30937 1 269 . 1 . 1 24 24 LYS CB C 13 32.949 0.014 . 1 . . . . A 22 LYS CB . 30937 1 270 . 1 . 1 24 24 LYS CG C 13 24.286 0.043 . 1 . . . . A 22 LYS CG . 30937 1 271 . 1 . 1 24 24 LYS CD C 13 29.205 0.000 . 1 . . . . A 22 LYS CD . 30937 1 272 . 1 . 1 24 24 LYS CE C 13 42.471 0.000 . 1 . . . . A 22 LYS CE . 30937 1 273 . 1 . 1 24 24 LYS N N 15 121.963 0.000 . 1 . . . . A 22 LYS N . 30937 1 274 . 1 . 1 25 25 ASP H H 1 10.767 0.000 . 1 . . . . A 23 ASP H . 30937 1 275 . 1 . 1 25 25 ASP HA H 1 4.259 0.003 . 1 . . . . A 23 ASP HA . 30937 1 276 . 1 . 1 25 25 ASP HB2 H 1 2.663 0.001 . 2 . . . . A 23 ASP HB2 . 30937 1 277 . 1 . 1 25 25 ASP HB3 H 1 2.446 0.005 . 2 . . . . A 23 ASP HB3 . 30937 1 278 . 1 . 1 25 25 ASP C C 13 176.077 0.000 . 1 . . . . A 23 ASP C . 30937 1 279 . 1 . 1 25 25 ASP CA C 13 54.182 0.004 . 1 . . . . A 23 ASP CA . 30937 1 280 . 1 . 1 25 25 ASP CB C 13 36.752 0.019 . 1 . . . . A 23 ASP CB . 30937 1 281 . 1 . 1 25 25 ASP N N 15 113.097 0.000 . 1 . . . . A 23 ASP N . 30937 1 282 . 1 . 1 26 26 PHE H H 1 7.870 0.000 . 1 . . . . A 24 PHE H . 30937 1 283 . 1 . 1 26 26 PHE HA H 1 4.547 0.001 . 1 . . . . A 24 PHE HA . 30937 1 284 . 1 . 1 26 26 PHE HB2 H 1 2.707 0.007 . 1 . . . . A 24 PHE HB2 . 30937 1 285 . 1 . 1 26 26 PHE HB3 H 1 3.406 0.002 . 1 . . . . A 24 PHE HB3 . 30937 1 286 . 1 . 1 26 26 PHE HD1 H 1 7.083 0.000 . 1 . . . . A 24 PHE HD1 . 30937 1 287 . 1 . 1 26 26 PHE HD2 H 1 7.083 0.000 . 1 . . . . A 24 PHE HD2 . 30937 1 288 . 1 . 1 26 26 PHE HE1 H 1 7.140 0.000 . 1 . . . . A 24 PHE HE1 . 30937 1 289 . 1 . 1 26 26 PHE HE2 H 1 7.140 0.000 . 1 . . . . A 24 PHE HE2 . 30937 1 290 . 1 . 1 26 26 PHE C C 13 174.637 0.000 . 1 . . . . A 24 PHE C . 30937 1 291 . 1 . 1 26 26 PHE CA C 13 58.035 0.079 . 1 . . . . A 24 PHE CA . 30937 1 292 . 1 . 1 26 26 PHE CB C 13 40.995 0.005 . 1 . . . . A 24 PHE CB . 30937 1 293 . 1 . 1 26 26 PHE CD1 C 13 131.632 0.012 . 1 . . . . A 24 PHE CD1 . 30937 1 294 . 1 . 1 26 26 PHE CD2 C 13 131.632 0.012 . 1 . . . . A 24 PHE CD2 . 30937 1 295 . 1 . 1 26 26 PHE CE1 C 13 131.514 0.000 . 1 . . . . A 24 PHE CE1 . 30937 1 296 . 1 . 1 26 26 PHE CE2 C 13 131.514 0.000 . 1 . . . . A 24 PHE CE2 . 30937 1 297 . 1 . 1 26 26 PHE N N 15 117.778 0.000 . 1 . . . . A 24 PHE N . 30937 1 298 . 1 . 1 27 27 ASN H H 1 8.056 0.000 . 1 . . . . A 25 ASN H . 30937 1 299 . 1 . 1 27 27 ASN HA H 1 4.431 0.002 . 1 . . . . A 25 ASN HA . 30937 1 300 . 1 . 1 27 27 ASN HB2 H 1 2.813 0.007 . 2 . . . . A 25 ASN HB2 . 30937 1 301 . 1 . 1 27 27 ASN HB3 H 1 3.138 0.002 . 2 . . . . A 25 ASN HB3 . 30937 1 302 . 1 . 1 27 27 ASN HD21 H 1 6.821 0.000 . 2 . . . . A 25 ASN HD21 . 30937 1 303 . 1 . 1 27 27 ASN HD22 H 1 7.545 0.001 . 2 . . . . A 25 ASN HD22 . 30937 1 304 . 1 . 1 27 27 ASN C C 13 173.524 0.000 . 1 . . . . A 25 ASN C . 30937 1 305 . 1 . 1 27 27 ASN CA C 13 54.490 0.052 . 1 . . . . A 25 ASN CA . 30937 1 306 . 1 . 1 27 27 ASN CB C 13 37.911 0.005 . 1 . . . . A 25 ASN CB . 30937 1 307 . 1 . 1 27 27 ASN N N 15 114.964 0.000 . 1 . . . . A 25 ASN N . 30937 1 308 . 1 . 1 27 27 ASN ND2 N 15 112.544 0.005 . 1 . . . . A 25 ASN ND2 . 30937 1 309 . 1 . 1 28 28 VAL H H 1 7.277 0.000 . 1 . . . . A 26 VAL H . 30937 1 310 . 1 . 1 28 28 VAL HA H 1 4.458 0.000 . 1 . . . . A 26 VAL HA . 30937 1 311 . 1 . 1 28 28 VAL HB H 1 2.276 0.001 . 1 . . . . A 26 VAL HB . 30937 1 312 . 1 . 1 28 28 VAL CA C 13 63.116 0.000 . 1 . . . . A 26 VAL CA . 30937 1 313 . 1 . 1 28 28 VAL CB C 13 32.235 0.000 . 1 . . . . A 26 VAL CB . 30937 1 314 . 1 . 1 28 28 VAL N N 15 112.391 0.000 . 1 . . . . A 26 VAL N . 30937 1 315 . 1 . 1 29 29 PRO HA H 1 4.251 0.002 . 1 . . . . A 27 PRO HA . 30937 1 316 . 1 . 1 29 29 PRO HB2 H 1 1.253 0.007 . 1 . . . . A 27 PRO HB2 . 30937 1 317 . 1 . 1 29 29 PRO HB3 H 1 1.822 0.003 . 1 . . . . A 27 PRO HB3 . 30937 1 318 . 1 . 1 29 29 PRO HG2 H 1 1.296 0.007 . 2 . . . . A 27 PRO HG2 . 30937 1 319 . 1 . 1 29 29 PRO HG3 H 1 1.096 0.010 . 2 . . . . A 27 PRO HG3 . 30937 1 320 . 1 . 1 29 29 PRO HD2 H 1 3.633 0.003 . 1 . . . . A 27 PRO HD2 . 30937 1 321 . 1 . 1 29 29 PRO HD3 H 1 3.338 0.001 . 1 . . . . A 27 PRO HD3 . 30937 1 322 . 1 . 1 29 29 PRO C C 13 175.760 0.000 . 1 . . . . A 27 PRO C . 30937 1 323 . 1 . 1 29 29 PRO CA C 13 62.446 0.000 . 1 . . . . A 27 PRO CA . 30937 1 324 . 1 . 1 29 29 PRO CB C 13 31.712 0.005 . 1 . . . . A 27 PRO CB . 30937 1 325 . 1 . 1 29 29 PRO CG C 13 26.891 0.080 . 1 . . . . A 27 PRO CG . 30937 1 326 . 1 . 1 29 29 PRO CD C 13 51.155 0.028 . 1 . . . . A 27 PRO CD . 30937 1 327 . 1 . 1 30 30 LEU H H 1 8.441 0.000 . 1 . . . . A 28 LEU H . 30937 1 328 . 1 . 1 30 30 LEU HA H 1 4.913 0.007 . 1 . . . . A 28 LEU HA . 30937 1 329 . 1 . 1 30 30 LEU HB2 H 1 1.433 0.010 . 1 . . . . A 28 LEU HB2 . 30937 1 330 . 1 . 1 30 30 LEU HB3 H 1 1.885 0.007 . 1 . . . . A 28 LEU HB3 . 30937 1 331 . 1 . 1 30 30 LEU HG H 1 1.738 0.008 . 1 . . . . A 28 LEU HG . 30937 1 332 . 1 . 1 30 30 LEU HD11 H 1 0.875 0.008 . 2 . . . . A 28 LEU HD11 . 30937 1 333 . 1 . 1 30 30 LEU HD12 H 1 0.875 0.008 . 2 . . . . A 28 LEU HD12 . 30937 1 334 . 1 . 1 30 30 LEU HD13 H 1 0.875 0.008 . 2 . . . . A 28 LEU HD13 . 30937 1 335 . 1 . 1 30 30 LEU HD21 H 1 0.759 0.006 . 2 . . . . A 28 LEU HD21 . 30937 1 336 . 1 . 1 30 30 LEU HD22 H 1 0.759 0.006 . 2 . . . . A 28 LEU HD22 . 30937 1 337 . 1 . 1 30 30 LEU HD23 H 1 0.759 0.006 . 2 . . . . A 28 LEU HD23 . 30937 1 338 . 1 . 1 30 30 LEU C C 13 177.868 0.000 . 1 . . . . A 28 LEU C . 30937 1 339 . 1 . 1 30 30 LEU CA C 13 55.013 0.014 . 1 . . . . A 28 LEU CA . 30937 1 340 . 1 . 1 30 30 LEU CB C 13 43.909 0.018 . 1 . . . . A 28 LEU CB . 30937 1 341 . 1 . 1 30 30 LEU CG C 13 26.582 0.008 . 1 . . . . A 28 LEU CG . 30937 1 342 . 1 . 1 30 30 LEU CD1 C 13 24.782 0.093 . 1 . . . . A 28 LEU CD1 . 30937 1 343 . 1 . 1 30 30 LEU CD2 C 13 24.807 0.035 . 1 . . . . A 28 LEU CD2 . 30937 1 344 . 1 . 1 30 30 LEU N N 15 122.944 0.000 . 1 . . . . A 28 LEU N . 30937 1 345 . 1 . 1 31 31 SER H H 1 9.153 0.000 . 1 . . . . A 29 SER H . 30937 1 346 . 1 . 1 31 31 SER HA H 1 5.439 0.001 . 1 . . . . A 29 SER HA . 30937 1 347 . 1 . 1 31 31 SER HB2 H 1 3.393 0.002 . 2 . . . . A 29 SER HB2 . 30937 1 348 . 1 . 1 31 31 SER HB3 H 1 3.701 0.003 . 2 . . . . A 29 SER HB3 . 30937 1 349 . 1 . 1 31 31 SER C C 13 173.359 0.000 . 1 . . . . A 29 SER C . 30937 1 350 . 1 . 1 31 31 SER CA C 13 57.149 0.000 . 1 . . . . A 29 SER CA . 30937 1 351 . 1 . 1 31 31 SER CB C 13 67.033 0.002 . 1 . . . . A 29 SER CB . 30937 1 352 . 1 . 1 31 31 SER N N 15 116.779 0.000 . 1 . . . . A 29 SER N . 30937 1 353 . 1 . 1 32 32 ILE H H 1 8.599 0.000 . 1 . . . . A 30 ILE H . 30937 1 354 . 1 . 1 32 32 ILE HA H 1 4.498 0.005 . 1 . . . . A 30 ILE HA . 30937 1 355 . 1 . 1 32 32 ILE HB H 1 2.338 0.007 . 1 . . . . A 30 ILE HB . 30937 1 356 . 1 . 1 32 32 ILE HG12 H 1 1.506 0.006 . 1 . . . . A 30 ILE HG12 . 30937 1 357 . 1 . 1 32 32 ILE HG13 H 1 1.099 0.009 . 1 . . . . A 30 ILE HG13 . 30937 1 358 . 1 . 1 32 32 ILE HG21 H 1 0.811 0.005 . 1 . . . . A 30 ILE HG21 . 30937 1 359 . 1 . 1 32 32 ILE HG22 H 1 0.811 0.005 . 1 . . . . A 30 ILE HG22 . 30937 1 360 . 1 . 1 32 32 ILE HG23 H 1 0.811 0.005 . 1 . . . . A 30 ILE HG23 . 30937 1 361 . 1 . 1 32 32 ILE HD11 H 1 0.071 0.000 . 1 . . . . A 30 ILE HD11 . 30937 1 362 . 1 . 1 32 32 ILE HD12 H 1 0.071 0.000 . 1 . . . . A 30 ILE HD12 . 30937 1 363 . 1 . 1 32 32 ILE HD13 H 1 0.071 0.000 . 1 . . . . A 30 ILE HD13 . 30937 1 364 . 1 . 1 32 32 ILE C C 13 177.331 0.000 . 1 . . . . A 30 ILE C . 30937 1 365 . 1 . 1 32 32 ILE CA C 13 58.777 0.000 . 1 . . . . A 30 ILE CA . 30937 1 366 . 1 . 1 32 32 ILE CB C 13 35.362 0.039 . 1 . . . . A 30 ILE CB . 30937 1 367 . 1 . 1 32 32 ILE CG1 C 13 24.950 0.097 . 1 . . . . A 30 ILE CG1 . 30937 1 368 . 1 . 1 32 32 ILE CG2 C 13 17.575 0.002 . 1 . . . . A 30 ILE CG2 . 30937 1 369 . 1 . 1 32 32 ILE CD1 C 13 8.891 0.083 . 1 . . . . A 30 ILE CD1 . 30937 1 370 . 1 . 1 32 32 ILE N N 15 119.958 0.000 . 1 . . . . A 30 ILE N . 30937 1 371 . 1 . 1 33 33 SER H H 1 9.365 0.000 . 1 . . . . A 31 SER H . 30937 1 372 . 1 . 1 33 33 SER HA H 1 4.565 0.003 . 1 . . . . A 31 SER HA . 30937 1 373 . 1 . 1 33 33 SER HB2 H 1 3.892 0.002 . 2 . . . . A 31 SER HB2 . 30937 1 374 . 1 . 1 33 33 SER HB3 H 1 3.396 0.003 . 2 . . . . A 31 SER HB3 . 30937 1 375 . 1 . 1 33 33 SER C C 13 174.539 0.000 . 1 . . . . A 31 SER C . 30937 1 376 . 1 . 1 33 33 SER CA C 13 58.478 0.000 . 1 . . . . A 31 SER CA . 30937 1 377 . 1 . 1 33 33 SER CB C 13 65.168 0.000 . 1 . . . . A 31 SER CB . 30937 1 378 . 1 . 1 33 33 SER N N 15 125.510 0.000 . 1 . . . . A 31 SER N . 30937 1 379 . 1 . 1 34 34 ARG H H 1 7.471 0.000 . 1 . . . . A 32 ARG H . 30937 1 380 . 1 . 1 34 34 ARG HA H 1 4.344 0.005 . 1 . . . . A 32 ARG HA . 30937 1 381 . 1 . 1 34 34 ARG HB2 H 1 1.478 0.008 . 1 . . . . A 32 ARG HB2 . 30937 1 382 . 1 . 1 34 34 ARG HB3 H 1 1.831 0.009 . 1 . . . . A 32 ARG HB3 . 30937 1 383 . 1 . 1 34 34 ARG HG2 H 1 1.602 0.010 . 2 . . . . A 32 ARG HG2 . 30937 1 384 . 1 . 1 34 34 ARG HG3 H 1 1.675 0.004 . 2 . . . . A 32 ARG HG3 . 30937 1 385 . 1 . 1 34 34 ARG HD2 H 1 2.947 0.006 . 2 . . . . A 32 ARG HD2 . 30937 1 386 . 1 . 1 34 34 ARG HD3 H 1 3.053 0.007 . 2 . . . . A 32 ARG HD3 . 30937 1 387 . 1 . 1 34 34 ARG HE H 1 7.260 0.000 . 1 . . . . A 32 ARG HE . 30937 1 388 . 1 . 1 34 34 ARG C C 13 173.164 0.000 . 1 . . . . A 32 ARG C . 30937 1 389 . 1 . 1 34 34 ARG CA C 13 56.234 0.028 . 1 . . . . A 32 ARG CA . 30937 1 390 . 1 . 1 34 34 ARG CB C 13 34.284 0.042 . 1 . . . . A 32 ARG CB . 30937 1 391 . 1 . 1 34 34 ARG CG C 13 27.433 0.025 . 1 . . . . A 32 ARG CG . 30937 1 392 . 1 . 1 34 34 ARG CD C 13 43.827 0.045 . 1 . . . . A 32 ARG CD . 30937 1 393 . 1 . 1 34 34 ARG N N 15 121.155 0.000 . 1 . . . . A 32 ARG N . 30937 1 394 . 1 . 1 34 34 ARG NE N 15 84.370 0.011 . 1 . . . . A 32 ARG NE . 30937 1 395 . 1 . 1 35 35 LEU H H 1 8.605 0.000 . 1 . . . . A 33 LEU H . 30937 1 396 . 1 . 1 35 35 LEU HA H 1 5.120 0.004 . 1 . . . . A 33 LEU HA . 30937 1 397 . 1 . 1 35 35 LEU HB2 H 1 1.413 0.011 . 1 . . . . A 33 LEU HB2 . 30937 1 398 . 1 . 1 35 35 LEU HB3 H 1 1.503 0.005 . 1 . . . . A 33 LEU HB3 . 30937 1 399 . 1 . 1 35 35 LEU HG H 1 1.383 0.000 . 1 . . . . A 33 LEU HG . 30937 1 400 . 1 . 1 35 35 LEU HD11 H 1 0.859 0.002 . 2 . . . . A 33 LEU HD11 . 30937 1 401 . 1 . 1 35 35 LEU HD12 H 1 0.859 0.002 . 2 . . . . A 33 LEU HD12 . 30937 1 402 . 1 . 1 35 35 LEU HD13 H 1 0.859 0.002 . 2 . . . . A 33 LEU HD13 . 30937 1 403 . 1 . 1 35 35 LEU HD21 H 1 0.859 0.002 . 2 . . . . A 33 LEU HD21 . 30937 1 404 . 1 . 1 35 35 LEU HD22 H 1 0.859 0.002 . 2 . . . . A 33 LEU HD22 . 30937 1 405 . 1 . 1 35 35 LEU HD23 H 1 0.859 0.002 . 2 . . . . A 33 LEU HD23 . 30937 1 406 . 1 . 1 35 35 LEU C C 13 176.547 0.000 . 1 . . . . A 33 LEU C . 30937 1 407 . 1 . 1 35 35 LEU CA C 13 53.045 0.038 . 1 . . . . A 33 LEU CA . 30937 1 408 . 1 . 1 35 35 LEU CB C 13 46.055 0.025 . 1 . . . . A 33 LEU CB . 30937 1 409 . 1 . 1 35 35 LEU CG C 13 26.547 0.002 . 1 . . . . A 33 LEU CG . 30937 1 410 . 1 . 1 35 35 LEU CD1 C 13 24.922 0.022 . 1 . . . . A 33 LEU CD1 . 30937 1 411 . 1 . 1 35 35 LEU CD2 C 13 24.922 0.022 . 1 . . . . A 33 LEU CD2 . 30937 1 412 . 1 . 1 35 35 LEU N N 15 123.342 0.000 . 1 . . . . A 33 LEU N . 30937 1 413 . 1 . 1 36 36 THR H H 1 8.169 0.000 . 1 . . . . A 34 THR H . 30937 1 414 . 1 . 1 36 36 THR HB H 1 3.915 0.001 . 1 . . . . A 34 THR HB . 30937 1 415 . 1 . 1 36 36 THR HG21 H 1 1.260 0.000 . 1 . . . . A 34 THR HG21 . 30937 1 416 . 1 . 1 36 36 THR HG22 H 1 1.260 0.000 . 1 . . . . A 34 THR HG22 . 30937 1 417 . 1 . 1 36 36 THR HG23 H 1 1.260 0.000 . 1 . . . . A 34 THR HG23 . 30937 1 418 . 1 . 1 36 36 THR CA C 13 61.188 0.000 . 1 . . . . A 34 THR CA . 30937 1 419 . 1 . 1 36 36 THR CB C 13 69.990 0.008 . 1 . . . . A 34 THR CB . 30937 1 420 . 1 . 1 36 36 THR CG2 C 13 21.561 0.000 . 1 . . . . A 34 THR CG2 . 30937 1 421 . 1 . 1 36 36 THR N N 15 122.392 0.000 . 1 . . . . A 34 THR N . 30937 1 422 . 1 . 1 37 37 PRO HA H 1 4.323 0.003 . 1 . . . . A 35 PRO HA . 30937 1 423 . 1 . 1 37 37 PRO HB2 H 1 2.305 0.005 . 1 . . . . A 35 PRO HB2 . 30937 1 424 . 1 . 1 37 37 PRO HB3 H 1 1.939 0.007 . 1 . . . . A 35 PRO HB3 . 30937 1 425 . 1 . 1 37 37 PRO HG2 H 1 2.168 0.002 . 2 . . . . A 35 PRO HG2 . 30937 1 426 . 1 . 1 37 37 PRO HG3 H 1 2.168 0.002 . 2 . . . . A 35 PRO HG3 . 30937 1 427 . 1 . 1 37 37 PRO HD2 H 1 3.729 0.005 . 2 . . . . A 35 PRO HD2 . 30937 1 428 . 1 . 1 37 37 PRO HD3 H 1 3.732 0.004 . 2 . . . . A 35 PRO HD3 . 30937 1 429 . 1 . 1 37 37 PRO C C 13 177.991 0.000 . 1 . . . . A 35 PRO C . 30937 1 430 . 1 . 1 37 37 PRO CA C 13 64.087 0.014 . 1 . . . . A 35 PRO CA . 30937 1 431 . 1 . 1 37 37 PRO CB C 13 31.459 0.013 . 1 . . . . A 35 PRO CB . 30937 1 432 . 1 . 1 37 37 PRO CG C 13 27.665 0.015 . 1 . . . . A 35 PRO CG . 30937 1 433 . 1 . 1 37 37 PRO CD C 13 51.752 0.054 . 1 . . . . A 35 PRO CD . 30937 1 434 . 1 . 1 38 38 GLY H H 1 9.040 0.000 . 1 . . . . A 36 GLY H . 30937 1 435 . 1 . 1 38 38 GLY HA2 H 1 4.071 0.002 . 1 . . . . A 36 GLY HA2 . 30937 1 436 . 1 . 1 38 38 GLY HA3 H 1 3.811 0.002 . 1 . . . . A 36 GLY HA3 . 30937 1 437 . 1 . 1 38 38 GLY C C 13 174.714 0.000 . 1 . . . . A 36 GLY C . 30937 1 438 . 1 . 1 38 38 GLY CA C 13 45.414 0.029 . 1 . . . . A 36 GLY CA . 30937 1 439 . 1 . 1 38 38 GLY N N 15 112.895 0.000 . 1 . . . . A 36 GLY N . 30937 1 440 . 1 . 1 39 39 GLY H H 1 8.019 0.000 . 1 . . . . A 37 GLY H . 30937 1 441 . 1 . 1 39 39 GLY HA2 H 1 4.024 0.004 . 1 . . . . A 37 GLY HA2 . 30937 1 442 . 1 . 1 39 39 GLY HA3 H 1 4.202 0.006 . 1 . . . . A 37 GLY HA3 . 30937 1 443 . 1 . 1 39 39 GLY C C 13 173.453 0.000 . 1 . . . . A 37 GLY C . 30937 1 444 . 1 . 1 39 39 GLY CA C 13 44.821 0.036 . 1 . . . . A 37 GLY CA . 30937 1 445 . 1 . 1 39 39 GLY N N 15 106.887 0.000 . 1 . . . . A 37 GLY N . 30937 1 446 . 1 . 1 40 40 LYS H H 1 8.962 0.000 . 1 . . . . A 38 LYS H . 30937 1 447 . 1 . 1 40 40 LYS HA H 1 4.009 0.001 . 1 . . . . A 38 LYS HA . 30937 1 448 . 1 . 1 40 40 LYS HB2 H 1 2.038 0.004 . 1 . . . . A 38 LYS HB2 . 30937 1 449 . 1 . 1 40 40 LYS HB3 H 1 2.376 0.005 . 1 . . . . A 38 LYS HB3 . 30937 1 450 . 1 . 1 40 40 LYS HG2 H 1 1.583 0.004 . 2 . . . . A 38 LYS HG2 . 30937 1 451 . 1 . 1 40 40 LYS HG3 H 1 1.583 0.004 . 2 . . . . A 38 LYS HG3 . 30937 1 452 . 1 . 1 40 40 LYS HD2 H 1 1.858 0.005 . 2 . . . . A 38 LYS HD2 . 30937 1 453 . 1 . 1 40 40 LYS HD3 H 1 1.857 0.005 . 2 . . . . A 38 LYS HD3 . 30937 1 454 . 1 . 1 40 40 LYS HE2 H 1 3.087 0.000 . 2 . . . . A 38 LYS HE2 . 30937 1 455 . 1 . 1 40 40 LYS HE3 H 1 3.087 0.000 . 2 . . . . A 38 LYS HE3 . 30937 1 456 . 1 . 1 40 40 LYS C C 13 180.204 0.000 . 1 . . . . A 38 LYS C . 30937 1 457 . 1 . 1 40 40 LYS CA C 13 60.862 0.015 . 1 . . . . A 38 LYS CA . 30937 1 458 . 1 . 1 40 40 LYS CB C 13 33.078 0.026 . 1 . . . . A 38 LYS CB . 30937 1 459 . 1 . 1 40 40 LYS CG C 13 27.741 0.054 . 1 . . . . A 38 LYS CG . 30937 1 460 . 1 . 1 40 40 LYS CD C 13 29.205 0.000 . 1 . . . . A 38 LYS CD . 30937 1 461 . 1 . 1 40 40 LYS CE C 13 43.242 0.002 . 1 . . . . A 38 LYS CE . 30937 1 462 . 1 . 1 40 40 LYS N N 15 118.512 0.000 . 1 . . . . A 38 LYS N . 30937 1 463 . 1 . 1 41 41 ALA H H 1 8.768 0.000 . 1 . . . . A 39 ALA H . 30937 1 464 . 1 . 1 41 41 ALA HA H 1 4.052 0.002 . 1 . . . . A 39 ALA HA . 30937 1 465 . 1 . 1 41 41 ALA HB1 H 1 1.285 0.003 . 1 . . . . A 39 ALA HB1 . 30937 1 466 . 1 . 1 41 41 ALA HB2 H 1 1.285 0.003 . 1 . . . . A 39 ALA HB2 . 30937 1 467 . 1 . 1 41 41 ALA HB3 H 1 1.285 0.003 . 1 . . . . A 39 ALA HB3 . 30937 1 468 . 1 . 1 41 41 ALA C C 13 178.436 0.000 . 1 . . . . A 39 ALA C . 30937 1 469 . 1 . 1 41 41 ALA CA C 13 55.613 0.006 . 1 . . . . A 39 ALA CA . 30937 1 470 . 1 . 1 41 41 ALA CB C 13 17.394 0.004 . 1 . . . . A 39 ALA CB . 30937 1 471 . 1 . 1 41 41 ALA N N 15 121.647 0.000 . 1 . . . . A 39 ALA N . 30937 1 472 . 1 . 1 42 42 ALA H H 1 9.113 0.000 . 1 . . . . A 40 ALA H . 30937 1 473 . 1 . 1 42 42 ALA HA H 1 4.170 0.003 . 1 . . . . A 40 ALA HA . 30937 1 474 . 1 . 1 42 42 ALA HB1 H 1 1.541 0.002 . 1 . . . . A 40 ALA HB1 . 30937 1 475 . 1 . 1 42 42 ALA HB2 H 1 1.541 0.002 . 1 . . . . A 40 ALA HB2 . 30937 1 476 . 1 . 1 42 42 ALA HB3 H 1 1.541 0.002 . 1 . . . . A 40 ALA HB3 . 30937 1 477 . 1 . 1 42 42 ALA C C 13 182.589 0.000 . 1 . . . . A 40 ALA C . 30937 1 478 . 1 . 1 42 42 ALA CA C 13 55.187 0.023 . 1 . . . . A 40 ALA CA . 30937 1 479 . 1 . 1 42 42 ALA CB C 13 18.114 0.017 . 1 . . . . A 40 ALA CB . 30937 1 480 . 1 . 1 42 42 ALA N N 15 122.065 0.000 . 1 . . . . A 40 ALA N . 30937 1 481 . 1 . 1 43 43 GLN H H 1 8.484 0.000 . 1 . . . . A 41 GLN H . 30937 1 482 . 1 . 1 43 43 GLN HA H 1 4.090 0.005 . 1 . . . . A 41 GLN HA . 30937 1 483 . 1 . 1 43 43 GLN HB2 H 1 2.220 0.007 . 1 . . . . A 41 GLN HB2 . 30937 1 484 . 1 . 1 43 43 GLN HB3 H 1 2.166 0.000 . 1 . . . . A 41 GLN HB3 . 30937 1 485 . 1 . 1 43 43 GLN HG2 H 1 2.380 0.005 . 1 . . . . A 41 GLN HG2 . 30937 1 486 . 1 . 1 43 43 GLN HG3 H 1 2.553 0.002 . 1 . . . . A 41 GLN HG3 . 30937 1 487 . 1 . 1 43 43 GLN HE21 H 1 7.359 0.000 . 2 . . . . A 41 GLN HE21 . 30937 1 488 . 1 . 1 43 43 GLN HE22 H 1 6.878 0.001 . 2 . . . . A 41 GLN HE22 . 30937 1 489 . 1 . 1 43 43 GLN C C 13 177.245 0.000 . 1 . . . . A 41 GLN C . 30937 1 490 . 1 . 1 43 43 GLN CA C 13 58.888 0.039 . 1 . . . . A 41 GLN CA . 30937 1 491 . 1 . 1 43 43 GLN CB C 13 28.873 0.049 . 1 . . . . A 41 GLN CB . 30937 1 492 . 1 . 1 43 43 GLN CG C 13 34.446 0.008 . 1 . . . . A 41 GLN CG . 30937 1 493 . 1 . 1 43 43 GLN N N 15 118.025 0.000 . 1 . . . . A 41 GLN N . 30937 1 494 . 1 . 1 43 43 GLN NE2 N 15 111.753 0.023 . 1 . . . . A 41 GLN NE2 . 30937 1 495 . 1 . 1 44 44 ALA H H 1 7.584 0.000 . 1 . . . . A 42 ALA H . 30937 1 496 . 1 . 1 44 44 ALA HA H 1 4.469 0.003 . 1 . . . . A 42 ALA HA . 30937 1 497 . 1 . 1 44 44 ALA HB1 H 1 1.539 0.001 . 1 . . . . A 42 ALA HB1 . 30937 1 498 . 1 . 1 44 44 ALA HB2 H 1 1.539 0.001 . 1 . . . . A 42 ALA HB2 . 30937 1 499 . 1 . 1 44 44 ALA HB3 H 1 1.539 0.001 . 1 . . . . A 42 ALA HB3 . 30937 1 500 . 1 . 1 44 44 ALA C C 13 177.313 0.000 . 1 . . . . A 42 ALA C . 30937 1 501 . 1 . 1 44 44 ALA CA C 13 52.254 0.040 . 1 . . . . A 42 ALA CA . 30937 1 502 . 1 . 1 44 44 ALA CB C 13 20.105 0.010 . 1 . . . . A 42 ALA CB . 30937 1 503 . 1 . 1 44 44 ALA N N 15 119.350 0.000 . 1 . . . . A 42 ALA N . 30937 1 504 . 1 . 1 45 45 GLY H H 1 7.729 0.001 . 1 . . . . A 43 GLY H . 30937 1 505 . 1 . 1 45 45 GLY HA2 H 1 4.217 0.003 . 2 . . . . A 43 GLY HA2 . 30937 1 506 . 1 . 1 45 45 GLY HA3 H 1 3.699 0.001 . 2 . . . . A 43 GLY HA3 . 30937 1 507 . 1 . 1 45 45 GLY C C 13 174.764 0.000 . 1 . . . . A 43 GLY C . 30937 1 508 . 1 . 1 45 45 GLY CA C 13 45.218 0.060 . 1 . . . . A 43 GLY CA . 30937 1 509 . 1 . 1 45 45 GLY N N 15 104.153 0.000 . 1 . . . . A 43 GLY N . 30937 1 510 . 1 . 1 46 46 VAL H H 1 7.488 0.000 . 1 . . . . A 44 VAL H . 30937 1 511 . 1 . 1 46 46 VAL HA H 1 3.509 0.003 . 1 . . . . A 44 VAL HA . 30937 1 512 . 1 . 1 46 46 VAL HB H 1 1.533 0.005 . 1 . . . . A 44 VAL HB . 30937 1 513 . 1 . 1 46 46 VAL HG11 H 1 0.826 0.000 . 2 . . . . A 44 VAL HG11 . 30937 1 514 . 1 . 1 46 46 VAL HG12 H 1 0.826 0.000 . 2 . . . . A 44 VAL HG12 . 30937 1 515 . 1 . 1 46 46 VAL HG13 H 1 0.826 0.000 . 2 . . . . A 44 VAL HG13 . 30937 1 516 . 1 . 1 46 46 VAL HG21 H 1 0.826 0.000 . 2 . . . . A 44 VAL HG21 . 30937 1 517 . 1 . 1 46 46 VAL HG22 H 1 0.826 0.000 . 2 . . . . A 44 VAL HG22 . 30937 1 518 . 1 . 1 46 46 VAL HG23 H 1 0.826 0.000 . 2 . . . . A 44 VAL HG23 . 30937 1 519 . 1 . 1 46 46 VAL C C 13 171.983 0.000 . 1 . . . . A 44 VAL C . 30937 1 520 . 1 . 1 46 46 VAL CA C 13 63.858 0.003 . 1 . . . . A 44 VAL CA . 30937 1 521 . 1 . 1 46 46 VAL CB C 13 31.281 0.004 . 1 . . . . A 44 VAL CB . 30937 1 522 . 1 . 1 46 46 VAL CG1 C 13 23.146 0.041 . 1 . . . . A 44 VAL CG1 . 30937 1 523 . 1 . 1 46 46 VAL CG2 C 13 23.146 0.041 . 1 . . . . A 44 VAL CG2 . 30937 1 524 . 1 . 1 46 46 VAL N N 15 121.589 0.000 . 1 . . . . A 44 VAL N . 30937 1 525 . 1 . 1 47 47 ALA H H 1 8.757 0.000 . 1 . . . . A 45 ALA H . 30937 1 526 . 1 . 1 47 47 ALA HA H 1 4.779 0.000 . 1 . . . . A 45 ALA HA . 30937 1 527 . 1 . 1 47 47 ALA HB1 H 1 1.308 0.001 . 1 . . . . A 45 ALA HB1 . 30937 1 528 . 1 . 1 47 47 ALA HB2 H 1 1.308 0.001 . 1 . . . . A 45 ALA HB2 . 30937 1 529 . 1 . 1 47 47 ALA HB3 H 1 1.308 0.001 . 1 . . . . A 45 ALA HB3 . 30937 1 530 . 1 . 1 47 47 ALA C C 13 176.936 0.000 . 1 . . . . A 45 ALA C . 30937 1 531 . 1 . 1 47 47 ALA CA C 13 50.506 0.000 . 1 . . . . A 45 ALA CA . 30937 1 532 . 1 . 1 47 47 ALA CB C 13 22.126 0.001 . 1 . . . . A 45 ALA CB . 30937 1 533 . 1 . 1 47 47 ALA N N 15 128.694 0.000 . 1 . . . . A 45 ALA N . 30937 1 534 . 1 . 1 48 48 VAL H H 1 8.354 0.000 . 1 . . . . A 46 VAL H . 30937 1 535 . 1 . 1 48 48 VAL HA H 1 3.224 0.002 . 1 . . . . A 46 VAL HA . 30937 1 536 . 1 . 1 48 48 VAL HB H 1 1.826 0.003 . 1 . . . . A 46 VAL HB . 30937 1 537 . 1 . 1 48 48 VAL HG11 H 1 0.913 0.008 . 2 . . . . A 46 VAL HG11 . 30937 1 538 . 1 . 1 48 48 VAL HG12 H 1 0.913 0.008 . 2 . . . . A 46 VAL HG12 . 30937 1 539 . 1 . 1 48 48 VAL HG13 H 1 0.913 0.008 . 2 . . . . A 46 VAL HG13 . 30937 1 540 . 1 . 1 48 48 VAL HG21 H 1 0.844 0.002 . 2 . . . . A 46 VAL HG21 . 30937 1 541 . 1 . 1 48 48 VAL HG22 H 1 0.844 0.002 . 2 . . . . A 46 VAL HG22 . 30937 1 542 . 1 . 1 48 48 VAL HG23 H 1 0.844 0.002 . 2 . . . . A 46 VAL HG23 . 30937 1 543 . 1 . 1 48 48 VAL C C 13 177.877 0.000 . 1 . . . . A 46 VAL C . 30937 1 544 . 1 . 1 48 48 VAL CA C 13 65.433 0.003 . 1 . . . . A 46 VAL CA . 30937 1 545 . 1 . 1 48 48 VAL CB C 13 31.032 0.031 . 1 . . . . A 46 VAL CB . 30937 1 546 . 1 . 1 48 48 VAL CG1 C 13 23.420 0.026 . 1 . . . . A 46 VAL CG1 . 30937 1 547 . 1 . 1 48 48 VAL CG2 C 13 21.383 0.006 . 1 . . . . A 46 VAL CG2 . 30937 1 548 . 1 . 1 48 48 VAL N N 15 120.190 0.000 . 1 . . . . A 46 VAL N . 30937 1 549 . 1 . 1 49 49 GLY H H 1 9.277 0.000 . 1 . . . . A 47 GLY H . 30937 1 550 . 1 . 1 49 49 GLY HA2 H 1 4.340 0.000 . 2 . . . . A 47 GLY HA2 . 30937 1 551 . 1 . 1 49 49 GLY HA3 H 1 3.516 0.000 . 2 . . . . A 47 GLY HA3 . 30937 1 552 . 1 . 1 49 49 GLY C C 13 174.292 0.000 . 1 . . . . A 47 GLY C . 30937 1 553 . 1 . 1 49 49 GLY CA C 13 44.227 0.008 . 1 . . . . A 47 GLY CA . 30937 1 554 . 1 . 1 49 49 GLY N N 15 117.437 0.000 . 1 . . . . A 47 GLY N . 30937 1 555 . 1 . 1 50 50 ASP H H 1 7.832 0.000 . 1 . . . . A 48 ASP H . 30937 1 556 . 1 . 1 50 50 ASP HA H 1 4.608 0.002 . 1 . . . . A 48 ASP HA . 30937 1 557 . 1 . 1 50 50 ASP HB2 H 1 2.427 0.001 . 2 . . . . A 48 ASP HB2 . 30937 1 558 . 1 . 1 50 50 ASP HB3 H 1 2.621 0.000 . 2 . . . . A 48 ASP HB3 . 30937 1 559 . 1 . 1 50 50 ASP C C 13 176.181 0.000 . 1 . . . . A 48 ASP C . 30937 1 560 . 1 . 1 50 50 ASP CA C 13 56.082 0.036 . 1 . . . . A 48 ASP CA . 30937 1 561 . 1 . 1 50 50 ASP CB C 13 40.865 0.035 . 1 . . . . A 48 ASP CB . 30937 1 562 . 1 . 1 50 50 ASP N N 15 122.877 0.000 . 1 . . . . A 48 ASP N . 30937 1 563 . 1 . 1 51 51 TRP H H 1 9.021 0.000 . 1 . . . . A 49 TRP H . 30937 1 564 . 1 . 1 51 51 TRP HA H 1 5.086 0.009 . 1 . . . . A 49 TRP HA . 30937 1 565 . 1 . 1 51 51 TRP HB2 H 1 3.216 0.003 . 2 . . . . A 49 TRP HB2 . 30937 1 566 . 1 . 1 51 51 TRP HB3 H 1 3.216 0.003 . 2 . . . . A 49 TRP HB3 . 30937 1 567 . 1 . 1 51 51 TRP HD1 H 1 7.203 0.000 . 1 . . . . A 49 TRP HD1 . 30937 1 568 . 1 . 1 51 51 TRP HE1 H 1 9.928 0.001 . 1 . . . . A 49 TRP HE1 . 30937 1 569 . 1 . 1 51 51 TRP HE3 H 1 7.206 0.001 . 1 . . . . A 49 TRP HE3 . 30937 1 570 . 1 . 1 51 51 TRP HZ2 H 1 7.468 0.000 . 1 . . . . A 49 TRP HZ2 . 30937 1 571 . 1 . 1 51 51 TRP HZ3 H 1 7.073 0.000 . 1 . . . . A 49 TRP HZ3 . 30937 1 572 . 1 . 1 51 51 TRP HH2 H 1 7.197 0.000 . 1 . . . . A 49 TRP HH2 . 30937 1 573 . 1 . 1 51 51 TRP C C 13 176.358 0.000 . 1 . . . . A 49 TRP C . 30937 1 574 . 1 . 1 51 51 TRP CA C 13 55.274 0.025 . 1 . . . . A 49 TRP CA . 30937 1 575 . 1 . 1 51 51 TRP CB C 13 30.213 0.029 . 1 . . . . A 49 TRP CB . 30937 1 576 . 1 . 1 51 51 TRP CD1 C 13 125.757 0.044 . 1 . . . . A 49 TRP CD1 . 30937 1 577 . 1 . 1 51 51 TRP CE3 C 13 120.207 0.000 . 1 . . . . A 49 TRP CE3 . 30937 1 578 . 1 . 1 51 51 TRP CZ2 C 13 114.506 0.055 . 1 . . . . A 49 TRP CZ2 . 30937 1 579 . 1 . 1 51 51 TRP CZ3 C 13 121.961 0.023 . 1 . . . . A 49 TRP CZ3 . 30937 1 580 . 1 . 1 51 51 TRP CH2 C 13 124.443 0.004 . 1 . . . . A 49 TRP CH2 . 30937 1 581 . 1 . 1 51 51 TRP N N 15 122.873 0.000 . 1 . . . . A 49 TRP N . 30937 1 582 . 1 . 1 51 51 TRP NE1 N 15 127.482 0.023 . 1 . . . . A 49 TRP NE1 . 30937 1 583 . 1 . 1 52 52 VAL H H 1 8.318 0.000 . 1 . . . . A 50 VAL H . 30937 1 584 . 1 . 1 52 52 VAL HA H 1 4.180 0.003 . 1 . . . . A 50 VAL HA . 30937 1 585 . 1 . 1 52 52 VAL HB H 1 1.804 0.007 . 1 . . . . A 50 VAL HB . 30937 1 586 . 1 . 1 52 52 VAL HG11 H 1 0.588 0.010 . 1 . . . . A 50 VAL HG11 . 30937 1 587 . 1 . 1 52 52 VAL HG12 H 1 0.588 0.010 . 1 . . . . A 50 VAL HG12 . 30937 1 588 . 1 . 1 52 52 VAL HG13 H 1 0.588 0.010 . 1 . . . . A 50 VAL HG13 . 30937 1 589 . 1 . 1 52 52 VAL HG21 H 1 0.630 0.002 . 1 . . . . A 50 VAL HG21 . 30937 1 590 . 1 . 1 52 52 VAL HG22 H 1 0.630 0.002 . 1 . . . . A 50 VAL HG22 . 30937 1 591 . 1 . 1 52 52 VAL HG23 H 1 0.630 0.002 . 1 . . . . A 50 VAL HG23 . 30937 1 592 . 1 . 1 52 52 VAL C C 13 174.450 0.000 . 1 . . . . A 50 VAL C . 30937 1 593 . 1 . 1 52 52 VAL CA C 13 61.912 0.028 . 1 . . . . A 50 VAL CA . 30937 1 594 . 1 . 1 52 52 VAL CB C 13 31.167 0.025 . 1 . . . . A 50 VAL CB . 30937 1 595 . 1 . 1 52 52 VAL CG1 C 13 20.462 0.038 . 1 . . . . A 50 VAL CG1 . 30937 1 596 . 1 . 1 52 52 VAL CG2 C 13 21.697 0.019 . 1 . . . . A 50 VAL CG2 . 30937 1 597 . 1 . 1 52 52 VAL N N 15 121.943 0.000 . 1 . . . . A 50 VAL N . 30937 1 598 . 1 . 1 53 53 LEU H H 1 9.066 0.000 . 1 . . . . A 51 LEU H . 30937 1 599 . 1 . 1 53 53 LEU HA H 1 4.379 0.004 . 1 . . . . A 51 LEU HA . 30937 1 600 . 1 . 1 53 53 LEU HB2 H 1 1.441 0.009 . 1 . . . . A 51 LEU HB2 . 30937 1 601 . 1 . 1 53 53 LEU HB3 H 1 1.512 0.005 . 1 . . . . A 51 LEU HB3 . 30937 1 602 . 1 . 1 53 53 LEU HG H 1 1.504 0.004 . 1 . . . . A 51 LEU HG . 30937 1 603 . 1 . 1 53 53 LEU HD11 H 1 0.839 0.007 . 1 . . . . A 51 LEU HD11 . 30937 1 604 . 1 . 1 53 53 LEU HD12 H 1 0.839 0.007 . 1 . . . . A 51 LEU HD12 . 30937 1 605 . 1 . 1 53 53 LEU HD13 H 1 0.839 0.007 . 1 . . . . A 51 LEU HD13 . 30937 1 606 . 1 . 1 53 53 LEU HD21 H 1 0.799 0.006 . 1 . . . . A 51 LEU HD21 . 30937 1 607 . 1 . 1 53 53 LEU HD22 H 1 0.799 0.006 . 1 . . . . A 51 LEU HD22 . 30937 1 608 . 1 . 1 53 53 LEU HD23 H 1 0.799 0.006 . 1 . . . . A 51 LEU HD23 . 30937 1 609 . 1 . 1 53 53 LEU C C 13 179.176 0.000 . 1 . . . . A 51 LEU C . 30937 1 610 . 1 . 1 53 53 LEU CA C 13 55.656 0.018 . 1 . . . . A 51 LEU CA . 30937 1 611 . 1 . 1 53 53 LEU CB C 13 42.631 0.010 . 1 . . . . A 51 LEU CB . 30937 1 612 . 1 . 1 53 53 LEU CG C 13 26.915 0.027 . 1 . . . . A 51 LEU CG . 30937 1 613 . 1 . 1 53 53 LEU CD1 C 13 25.729 0.041 . 1 . . . . A 51 LEU CD1 . 30937 1 614 . 1 . 1 53 53 LEU CD2 C 13 22.128 0.005 . 1 . . . . A 51 LEU CD2 . 30937 1 615 . 1 . 1 53 53 LEU N N 15 127.018 0.000 . 1 . . . . A 51 LEU N . 30937 1 616 . 1 . 1 54 54 SER H H 1 8.200 0.000 . 1 . . . . A 52 SER H . 30937 1 617 . 1 . 1 54 54 SER HA H 1 5.053 0.001 . 1 . . . . A 52 SER HA . 30937 1 618 . 1 . 1 54 54 SER HB2 H 1 3.659 0.005 . 1 . . . . A 52 SER HB2 . 30937 1 619 . 1 . 1 54 54 SER HB3 H 1 3.301 0.001 . 1 . . . . A 52 SER HB3 . 30937 1 620 . 1 . 1 54 54 SER C C 13 172.684 0.000 . 1 . . . . A 52 SER C . 30937 1 621 . 1 . 1 54 54 SER CA C 13 57.224 0.047 . 1 . . . . A 52 SER CA . 30937 1 622 . 1 . 1 54 54 SER CB C 13 65.335 0.025 . 1 . . . . A 52 SER CB . 30937 1 623 . 1 . 1 54 54 SER N N 15 112.609 0.000 . 1 . . . . A 52 SER N . 30937 1 624 . 1 . 1 55 55 ILE H H 1 8.402 0.000 . 1 . . . . A 53 ILE H . 30937 1 625 . 1 . 1 55 55 ILE HA H 1 4.366 0.002 . 1 . . . . A 53 ILE HA . 30937 1 626 . 1 . 1 55 55 ILE HB H 1 1.428 0.002 . 1 . . . . A 53 ILE HB . 30937 1 627 . 1 . 1 55 55 ILE HG12 H 1 1.292 0.003 . 2 . . . . A 53 ILE HG12 . 30937 1 628 . 1 . 1 55 55 ILE HG13 H 1 1.292 0.003 . 2 . . . . A 53 ILE HG13 . 30937 1 629 . 1 . 1 55 55 ILE HG21 H 1 0.677 0.003 . 1 . . . . A 53 ILE HG21 . 30937 1 630 . 1 . 1 55 55 ILE HG22 H 1 0.677 0.003 . 1 . . . . A 53 ILE HG22 . 30937 1 631 . 1 . 1 55 55 ILE HG23 H 1 0.677 0.003 . 1 . . . . A 53 ILE HG23 . 30937 1 632 . 1 . 1 55 55 ILE HD11 H 1 0.751 0.010 . 1 . . . . A 53 ILE HD11 . 30937 1 633 . 1 . 1 55 55 ILE HD12 H 1 0.751 0.010 . 1 . . . . A 53 ILE HD12 . 30937 1 634 . 1 . 1 55 55 ILE HD13 H 1 0.751 0.010 . 1 . . . . A 53 ILE HD13 . 30937 1 635 . 1 . 1 55 55 ILE C C 13 175.465 0.000 . 1 . . . . A 53 ILE C . 30937 1 636 . 1 . 1 55 55 ILE CA C 13 60.435 0.015 . 1 . . . . A 53 ILE CA . 30937 1 637 . 1 . 1 55 55 ILE CB C 13 42.021 0.030 . 1 . . . . A 53 ILE CB . 30937 1 638 . 1 . 1 55 55 ILE CG1 C 13 27.086 0.104 . 1 . . . . A 53 ILE CG1 . 30937 1 639 . 1 . 1 55 55 ILE CG2 C 13 18.047 0.020 . 1 . . . . A 53 ILE CG2 . 30937 1 640 . 1 . 1 55 55 ILE CD1 C 13 13.979 0.006 . 1 . . . . A 53 ILE CD1 . 30937 1 641 . 1 . 1 55 55 ILE N N 15 120.303 0.000 . 1 . . . . A 53 ILE N . 30937 1 642 . 1 . 1 56 56 ASP H H 1 9.673 0.000 . 1 . . . . A 54 ASP H . 30937 1 643 . 1 . 1 56 56 ASP HA H 1 4.379 0.004 . 1 . . . . A 54 ASP HA . 30937 1 644 . 1 . 1 56 56 ASP HB2 H 1 2.410 0.003 . 2 . . . . A 54 ASP HB2 . 30937 1 645 . 1 . 1 56 56 ASP HB3 H 1 3.108 0.002 . 2 . . . . A 54 ASP HB3 . 30937 1 646 . 1 . 1 56 56 ASP C C 13 175.710 0.000 . 1 . . . . A 54 ASP C . 30937 1 647 . 1 . 1 56 56 ASP CA C 13 55.653 0.000 . 1 . . . . A 54 ASP CA . 30937 1 648 . 1 . 1 56 56 ASP CB C 13 40.098 0.022 . 1 . . . . A 54 ASP CB . 30937 1 649 . 1 . 1 56 56 ASP N N 15 129.196 0.000 . 1 . . . . A 54 ASP N . 30937 1 650 . 1 . 1 57 57 GLY H H 1 8.672 0.000 . 1 . . . . A 55 GLY H . 30937 1 651 . 1 . 1 57 57 GLY HA2 H 1 4.135 0.008 . 2 . . . . A 55 GLY HA2 . 30937 1 652 . 1 . 1 57 57 GLY HA3 H 1 3.479 0.003 . 2 . . . . A 55 GLY HA3 . 30937 1 653 . 1 . 1 57 57 GLY C C 13 173.828 0.000 . 1 . . . . A 55 GLY C . 30937 1 654 . 1 . 1 57 57 GLY CA C 13 45.287 0.035 . 1 . . . . A 55 GLY CA . 30937 1 655 . 1 . 1 57 57 GLY N N 15 102.891 0.000 . 1 . . . . A 55 GLY N . 30937 1 656 . 1 . 1 58 58 GLU H H 1 7.819 0.000 . 1 . . . . A 56 GLU H . 30937 1 657 . 1 . 1 58 58 GLU HA H 1 4.533 0.001 . 1 . . . . A 56 GLU HA . 30937 1 658 . 1 . 1 58 58 GLU HB2 H 1 1.916 0.007 . 2 . . . . A 56 GLU HB2 . 30937 1 659 . 1 . 1 58 58 GLU HB3 H 1 2.023 0.005 . 2 . . . . A 56 GLU HB3 . 30937 1 660 . 1 . 1 58 58 GLU HG2 H 1 2.273 0.004 . 2 . . . . A 56 GLU HG2 . 30937 1 661 . 1 . 1 58 58 GLU HG3 H 1 2.204 0.003 . 2 . . . . A 56 GLU HG3 . 30937 1 662 . 1 . 1 58 58 GLU C C 13 175.898 0.000 . 1 . . . . A 56 GLU C . 30937 1 663 . 1 . 1 58 58 GLU CA C 13 54.673 0.027 . 1 . . . . A 56 GLU CA . 30937 1 664 . 1 . 1 58 58 GLU CB C 13 31.503 0.017 . 1 . . . . A 56 GLU CB . 30937 1 665 . 1 . 1 58 58 GLU CG C 13 36.023 0.014 . 1 . . . . A 56 GLU CG . 30937 1 666 . 1 . 1 58 58 GLU N N 15 121.165 0.000 . 1 . . . . A 56 GLU N . 30937 1 667 . 1 . 1 59 59 ASN H H 1 8.916 0.000 . 1 . . . . A 57 ASN H . 30937 1 668 . 1 . 1 59 59 ASN HA H 1 4.419 0.002 . 1 . . . . A 57 ASN HA . 30937 1 669 . 1 . 1 59 59 ASN HB2 H 1 2.887 0.005 . 1 . . . . A 57 ASN HB2 . 30937 1 670 . 1 . 1 59 59 ASN HB3 H 1 2.817 0.001 . 1 . . . . A 57 ASN HB3 . 30937 1 671 . 1 . 1 59 59 ASN HD21 H 1 7.770 0.000 . 2 . . . . A 57 ASN HD21 . 30937 1 672 . 1 . 1 59 59 ASN HD22 H 1 7.085 0.001 . 2 . . . . A 57 ASN HD22 . 30937 1 673 . 1 . 1 59 59 ASN C C 13 176.204 0.000 . 1 . . . . A 57 ASN C . 30937 1 674 . 1 . 1 59 59 ASN CA C 13 54.910 0.009 . 1 . . . . A 57 ASN CA . 30937 1 675 . 1 . 1 59 59 ASN CB C 13 38.703 0.051 . 1 . . . . A 57 ASN CB . 30937 1 676 . 1 . 1 59 59 ASN N N 15 124.356 0.000 . 1 . . . . A 57 ASN N . 30937 1 677 . 1 . 1 59 59 ASN ND2 N 15 113.741 0.004 . 1 . . . . A 57 ASN ND2 . 30937 1 678 . 1 . 1 60 60 ALA H H 1 8.508 0.000 . 1 . . . . A 58 ALA H . 30937 1 679 . 1 . 1 60 60 ALA HA H 1 4.424 0.002 . 1 . . . . A 58 ALA HA . 30937 1 680 . 1 . 1 60 60 ALA HB1 H 1 1.211 0.007 . 1 . . . . A 58 ALA HB1 . 30937 1 681 . 1 . 1 60 60 ALA HB2 H 1 1.211 0.007 . 1 . . . . A 58 ALA HB2 . 30937 1 682 . 1 . 1 60 60 ALA HB3 H 1 1.211 0.007 . 1 . . . . A 58 ALA HB3 . 30937 1 683 . 1 . 1 60 60 ALA C C 13 178.637 0.000 . 1 . . . . A 58 ALA C . 30937 1 684 . 1 . 1 60 60 ALA CA C 13 52.239 0.045 . 1 . . . . A 58 ALA CA . 30937 1 685 . 1 . 1 60 60 ALA CB C 13 19.325 0.002 . 1 . . . . A 58 ALA CB . 30937 1 686 . 1 . 1 60 60 ALA N N 15 128.631 0.000 . 1 . . . . A 58 ALA N . 30937 1 687 . 1 . 1 61 61 GLY H H 1 8.548 0.000 . 1 . . . . A 59 GLY H . 30937 1 688 . 1 . 1 61 61 GLY HA2 H 1 3.965 0.001 . 1 . . . . A 59 GLY HA2 . 30937 1 689 . 1 . 1 61 61 GLY HA3 H 1 4.009 0.004 . 1 . . . . A 59 GLY HA3 . 30937 1 690 . 1 . 1 61 61 GLY C C 13 174.335 0.000 . 1 . . . . A 59 GLY C . 30937 1 691 . 1 . 1 61 61 GLY CA C 13 47.408 0.002 . 1 . . . . A 59 GLY CA . 30937 1 692 . 1 . 1 61 61 GLY N N 15 107.082 0.000 . 1 . . . . A 59 GLY N . 30937 1 693 . 1 . 1 62 62 SER H H 1 8.040 0.000 . 1 . . . . A 60 SER H . 30937 1 694 . 1 . 1 62 62 SER HA H 1 4.616 0.001 . 1 . . . . A 60 SER HA . 30937 1 695 . 1 . 1 62 62 SER HB2 H 1 3.914 0.004 . 2 . . . . A 60 SER HB2 . 30937 1 696 . 1 . 1 62 62 SER HB3 H 1 3.914 0.004 . 2 . . . . A 60 SER HB3 . 30937 1 697 . 1 . 1 62 62 SER C C 13 173.863 0.000 . 1 . . . . A 60 SER C . 30937 1 698 . 1 . 1 62 62 SER CA C 13 57.518 0.016 . 1 . . . . A 60 SER CA . 30937 1 699 . 1 . 1 62 62 SER CB C 13 63.821 0.000 . 1 . . . . A 60 SER CB . 30937 1 700 . 1 . 1 62 62 SER N N 15 112.100 0.000 . 1 . . . . A 60 SER N . 30937 1 701 . 1 . 1 63 63 LEU H H 1 7.319 0.000 . 1 . . . . A 61 LEU H . 30937 1 702 . 1 . 1 63 63 LEU HA H 1 4.738 0.009 . 1 . . . . A 61 LEU HA . 30937 1 703 . 1 . 1 63 63 LEU HB2 H 1 1.631 0.007 . 1 . . . . A 61 LEU HB2 . 30937 1 704 . 1 . 1 63 63 LEU HB3 H 1 1.909 0.008 . 1 . . . . A 61 LEU HB3 . 30937 1 705 . 1 . 1 63 63 LEU HG H 1 1.764 0.005 . 1 . . . . A 61 LEU HG . 30937 1 706 . 1 . 1 63 63 LEU HD11 H 1 0.797 0.002 . 1 . . . . A 61 LEU HD11 . 30937 1 707 . 1 . 1 63 63 LEU HD12 H 1 0.797 0.002 . 1 . . . . A 61 LEU HD12 . 30937 1 708 . 1 . 1 63 63 LEU HD13 H 1 0.797 0.002 . 1 . . . . A 61 LEU HD13 . 30937 1 709 . 1 . 1 63 63 LEU HD21 H 1 0.799 0.002 . 1 . . . . A 61 LEU HD21 . 30937 1 710 . 1 . 1 63 63 LEU HD22 H 1 0.799 0.002 . 1 . . . . A 61 LEU HD22 . 30937 1 711 . 1 . 1 63 63 LEU HD23 H 1 0.799 0.002 . 1 . . . . A 61 LEU HD23 . 30937 1 712 . 1 . 1 63 63 LEU C C 13 179.408 0.000 . 1 . . . . A 61 LEU C . 30937 1 713 . 1 . 1 63 63 LEU CA C 13 54.488 0.000 . 1 . . . . A 61 LEU CA . 30937 1 714 . 1 . 1 63 63 LEU CB C 13 42.882 0.064 . 1 . . . . A 61 LEU CB . 30937 1 715 . 1 . 1 63 63 LEU CG C 13 26.306 0.017 . 1 . . . . A 61 LEU CG . 30937 1 716 . 1 . 1 63 63 LEU CD1 C 13 22.341 0.014 . 1 . . . . A 61 LEU CD1 . 30937 1 717 . 1 . 1 63 63 LEU CD2 C 13 22.340 0.015 . 1 . . . . A 61 LEU CD2 . 30937 1 718 . 1 . 1 63 63 LEU N N 15 120.139 0.000 . 1 . . . . A 61 LEU N . 30937 1 719 . 1 . 1 64 64 THR H H 1 9.131 0.000 . 1 . . . . A 62 THR H . 30937 1 720 . 1 . 1 64 64 THR HA H 1 4.533 0.003 . 1 . . . . A 62 THR HA . 30937 1 721 . 1 . 1 64 64 THR HB H 1 4.707 0.000 . 1 . . . . A 62 THR HB . 30937 1 722 . 1 . 1 64 64 THR HG21 H 1 1.358 0.001 . 1 . . . . A 62 THR HG21 . 30937 1 723 . 1 . 1 64 64 THR HG22 H 1 1.358 0.001 . 1 . . . . A 62 THR HG22 . 30937 1 724 . 1 . 1 64 64 THR HG23 H 1 1.358 0.001 . 1 . . . . A 62 THR HG23 . 30937 1 725 . 1 . 1 64 64 THR C C 13 174.389 0.000 . 1 . . . . A 62 THR C . 30937 1 726 . 1 . 1 64 64 THR CA C 13 61.917 0.035 . 1 . . . . A 62 THR CA . 30937 1 727 . 1 . 1 64 64 THR CB C 13 70.966 0.000 . 1 . . . . A 62 THR CB . 30937 1 728 . 1 . 1 64 64 THR CG2 C 13 22.340 0.006 . 1 . . . . A 62 THR CG2 . 30937 1 729 . 1 . 1 64 64 THR N N 15 114.072 0.000 . 1 . . . . A 62 THR N . 30937 1 730 . 1 . 1 65 65 HIS H H 1 10.388 0.000 . 1 . . . . A 63 HIS H . 30937 1 731 . 1 . 1 65 65 HIS HA H 1 4.163 0.011 . 1 . . . . A 63 HIS HA . 30937 1 732 . 1 . 1 65 65 HIS HB2 H 1 3.712 0.001 . 2 . . . . A 63 HIS HB2 . 30937 1 733 . 1 . 1 65 65 HIS HB3 H 1 3.715 0.006 . 2 . . . . A 63 HIS HB3 . 30937 1 734 . 1 . 1 65 65 HIS HD2 H 1 7.156 0.000 . 1 . . . . A 63 HIS HD2 . 30937 1 735 . 1 . 1 65 65 HIS C C 13 177.214 0.000 . 1 . . . . A 63 HIS C . 30937 1 736 . 1 . 1 65 65 HIS CA C 13 61.637 0.006 . 1 . . . . A 63 HIS CA . 30937 1 737 . 1 . 1 65 65 HIS CB C 13 29.004 0.011 . 1 . . . . A 63 HIS CB . 30937 1 738 . 1 . 1 65 65 HIS CD2 C 13 120.465 0.006 . 1 . . . . A 63 HIS CD2 . 30937 1 739 . 1 . 1 65 65 HIS N N 15 121.992 0.000 . 1 . . . . A 63 HIS N . 30937 1 740 . 1 . 1 66 66 ILE H H 1 8.821 0.000 . 1 . . . . A 64 ILE H . 30937 1 741 . 1 . 1 66 66 ILE HA H 1 4.070 0.004 . 1 . . . . A 64 ILE HA . 30937 1 742 . 1 . 1 66 66 ILE HB H 1 1.849 0.007 . 1 . . . . A 64 ILE HB . 30937 1 743 . 1 . 1 66 66 ILE HG12 H 1 1.554 0.006 . 2 . . . . A 64 ILE HG12 . 30937 1 744 . 1 . 1 66 66 ILE HG13 H 1 1.329 0.005 . 2 . . . . A 64 ILE HG13 . 30937 1 745 . 1 . 1 66 66 ILE HG21 H 1 0.962 0.003 . 1 . . . . A 64 ILE HG21 . 30937 1 746 . 1 . 1 66 66 ILE HG22 H 1 0.962 0.003 . 1 . . . . A 64 ILE HG22 . 30937 1 747 . 1 . 1 66 66 ILE HG23 H 1 0.962 0.003 . 1 . . . . A 64 ILE HG23 . 30937 1 748 . 1 . 1 66 66 ILE HD11 H 1 0.957 0.005 . 1 . . . . A 64 ILE HD11 . 30937 1 749 . 1 . 1 66 66 ILE HD12 H 1 0.957 0.005 . 1 . . . . A 64 ILE HD12 . 30937 1 750 . 1 . 1 66 66 ILE HD13 H 1 0.957 0.005 . 1 . . . . A 64 ILE HD13 . 30937 1 751 . 1 . 1 66 66 ILE C C 13 177.779 0.000 . 1 . . . . A 64 ILE C . 30937 1 752 . 1 . 1 66 66 ILE CA C 13 63.206 0.025 . 1 . . . . A 64 ILE CA . 30937 1 753 . 1 . 1 66 66 ILE CB C 13 37.840 0.001 . 1 . . . . A 64 ILE CB . 30937 1 754 . 1 . 1 66 66 ILE CG1 C 13 29.306 0.010 . 1 . . . . A 64 ILE CG1 . 30937 1 755 . 1 . 1 66 66 ILE CG2 C 13 17.881 0.001 . 1 . . . . A 64 ILE CG2 . 30937 1 756 . 1 . 1 66 66 ILE CD1 C 13 13.390 0.032 . 1 . . . . A 64 ILE CD1 . 30937 1 757 . 1 . 1 66 66 ILE N N 15 117.310 0.000 . 1 . . . . A 64 ILE N . 30937 1 758 . 1 . 1 67 67 GLU H H 1 7.578 0.000 . 1 . . . . A 65 GLU H . 30937 1 759 . 1 . 1 67 67 GLU HA H 1 4.007 0.004 . 1 . . . . A 65 GLU HA . 30937 1 760 . 1 . 1 67 67 GLU HB2 H 1 2.305 0.002 . 1 . . . . A 65 GLU HB2 . 30937 1 761 . 1 . 1 67 67 GLU HB3 H 1 1.933 0.008 . 1 . . . . A 65 GLU HB3 . 30937 1 762 . 1 . 1 67 67 GLU HG2 H 1 2.361 0.009 . 1 . . . . A 65 GLU HG2 . 30937 1 763 . 1 . 1 67 67 GLU HG3 H 1 2.292 0.009 . 1 . . . . A 65 GLU HG3 . 30937 1 764 . 1 . 1 67 67 GLU C C 13 180.440 0.000 . 1 . . . . A 65 GLU C . 30937 1 765 . 1 . 1 67 67 GLU CA C 13 59.203 0.017 . 1 . . . . A 65 GLU CA . 30937 1 766 . 1 . 1 67 67 GLU CB C 13 30.928 0.009 . 1 . . . . A 65 GLU CB . 30937 1 767 . 1 . 1 67 67 GLU CG C 13 37.394 0.036 . 1 . . . . A 65 GLU CG . 30937 1 768 . 1 . 1 67 67 GLU N N 15 121.318 0.000 . 1 . . . . A 65 GLU N . 30937 1 769 . 1 . 1 68 68 ALA H H 1 8.564 0.000 . 1 . . . . A 66 ALA H . 30937 1 770 . 1 . 1 68 68 ALA HA H 1 3.902 0.005 . 1 . . . . A 66 ALA HA . 30937 1 771 . 1 . 1 68 68 ALA HB1 H 1 1.365 0.002 . 1 . . . . A 66 ALA HB1 . 30937 1 772 . 1 . 1 68 68 ALA HB2 H 1 1.365 0.002 . 1 . . . . A 66 ALA HB2 . 30937 1 773 . 1 . 1 68 68 ALA HB3 H 1 1.365 0.002 . 1 . . . . A 66 ALA HB3 . 30937 1 774 . 1 . 1 68 68 ALA C C 13 178.875 0.000 . 1 . . . . A 66 ALA C . 30937 1 775 . 1 . 1 68 68 ALA CA C 13 55.552 0.011 . 1 . . . . A 66 ALA CA . 30937 1 776 . 1 . 1 68 68 ALA CB C 13 19.267 0.000 . 1 . . . . A 66 ALA CB . 30937 1 777 . 1 . 1 68 68 ALA N N 15 121.530 0.000 . 1 . . . . A 66 ALA N . 30937 1 778 . 1 . 1 69 69 GLN H H 1 7.861 0.000 . 1 . . . . A 67 GLN H . 30937 1 779 . 1 . 1 69 69 GLN HA H 1 3.737 0.004 . 1 . . . . A 67 GLN HA . 30937 1 780 . 1 . 1 69 69 GLN HB2 H 1 1.902 0.007 . 1 . . . . A 67 GLN HB2 . 30937 1 781 . 1 . 1 69 69 GLN HB3 H 1 2.371 0.005 . 1 . . . . A 67 GLN HB3 . 30937 1 782 . 1 . 1 69 69 GLN HG2 H 1 2.491 0.007 . 2 . . . . A 67 GLN HG2 . 30937 1 783 . 1 . 1 69 69 GLN HG3 H 1 2.047 0.008 . 2 . . . . A 67 GLN HG3 . 30937 1 784 . 1 . 1 69 69 GLN HE21 H 1 7.094 0.001 . 2 . . . . A 67 GLN HE21 . 30937 1 785 . 1 . 1 69 69 GLN HE22 H 1 7.094 0.001 . 2 . . . . A 67 GLN HE22 . 30937 1 786 . 1 . 1 69 69 GLN C C 13 178.080 0.000 . 1 . . . . A 67 GLN C . 30937 1 787 . 1 . 1 69 69 GLN CA C 13 59.805 0.014 . 1 . . . . A 67 GLN CA . 30937 1 788 . 1 . 1 69 69 GLN CB C 13 29.295 0.014 . 1 . . . . A 67 GLN CB . 30937 1 789 . 1 . 1 69 69 GLN CG C 13 34.852 0.001 . 1 . . . . A 67 GLN CG . 30937 1 790 . 1 . 1 69 69 GLN N N 15 115.646 0.054 . 1 . . . . A 67 GLN N . 30937 1 791 . 1 . 1 69 69 GLN NE2 N 15 110.655 0.071 . 1 . . . . A 67 GLN NE2 . 30937 1 792 . 1 . 1 70 70 ASN H H 1 8.776 0.000 . 1 . . . . A 68 ASN H . 30937 1 793 . 1 . 1 70 70 ASN HA H 1 4.414 0.005 . 1 . . . . A 68 ASN HA . 30937 1 794 . 1 . 1 70 70 ASN HB2 H 1 2.803 0.004 . 1 . . . . A 68 ASN HB2 . 30937 1 795 . 1 . 1 70 70 ASN HB3 H 1 2.926 0.006 . 1 . . . . A 68 ASN HB3 . 30937 1 796 . 1 . 1 70 70 ASN HD21 H 1 7.669 0.001 . 1 . . . . A 68 ASN HD21 . 30937 1 797 . 1 . 1 70 70 ASN HD22 H 1 6.874 0.000 . 1 . . . . A 68 ASN HD22 . 30937 1 798 . 1 . 1 70 70 ASN C C 13 178.392 0.000 . 1 . . . . A 68 ASN C . 30937 1 799 . 1 . 1 70 70 ASN CA C 13 55.553 0.017 . 1 . . . . A 68 ASN CA . 30937 1 800 . 1 . 1 70 70 ASN CB C 13 37.262 0.014 . 1 . . . . A 68 ASN CB . 30937 1 801 . 1 . 1 70 70 ASN N N 15 117.084 0.000 . 1 . . . . A 68 ASN N . 30937 1 802 . 1 . 1 70 70 ASN ND2 N 15 111.186 0.006 . 1 . . . . A 68 ASN ND2 . 30937 1 803 . 1 . 1 71 71 LYS H H 1 8.177 0.000 . 1 . . . . A 69 LYS H . 30937 1 804 . 1 . 1 71 71 LYS HA H 1 4.107 0.002 . 1 . . . . A 69 LYS HA . 30937 1 805 . 1 . 1 71 71 LYS HB2 H 1 1.895 0.001 . 1 . . . . A 69 LYS HB2 . 30937 1 806 . 1 . 1 71 71 LYS HB3 H 1 1.952 0.008 . 1 . . . . A 69 LYS HB3 . 30937 1 807 . 1 . 1 71 71 LYS HG2 H 1 1.402 0.003 . 1 . . . . A 69 LYS HG2 . 30937 1 808 . 1 . 1 71 71 LYS HG3 H 1 1.469 0.006 . 1 . . . . A 69 LYS HG3 . 30937 1 809 . 1 . 1 71 71 LYS HD2 H 1 1.627 0.009 . 1 . . . . A 69 LYS HD2 . 30937 1 810 . 1 . 1 71 71 LYS HD3 H 1 1.601 0.008 . 1 . . . . A 69 LYS HD3 . 30937 1 811 . 1 . 1 71 71 LYS HE2 H 1 2.912 0.006 . 2 . . . . A 69 LYS HE2 . 30937 1 812 . 1 . 1 71 71 LYS HE3 H 1 2.912 0.006 . 2 . . . . A 69 LYS HE3 . 30937 1 813 . 1 . 1 71 71 LYS C C 13 179.075 0.000 . 1 . . . . A 69 LYS C . 30937 1 814 . 1 . 1 71 71 LYS CA C 13 59.135 0.018 . 1 . . . . A 69 LYS CA . 30937 1 815 . 1 . 1 71 71 LYS CB C 13 32.404 0.038 . 1 . . . . A 69 LYS CB . 30937 1 816 . 1 . 1 71 71 LYS CG C 13 25.353 0.023 . 1 . . . . A 69 LYS CG . 30937 1 817 . 1 . 1 71 71 LYS CD C 13 29.115 0.038 . 1 . . . . A 69 LYS CD . 30937 1 818 . 1 . 1 71 71 LYS CE C 13 41.948 0.019 . 1 . . . . A 69 LYS CE . 30937 1 819 . 1 . 1 71 71 LYS N N 15 121.876 0.000 . 1 . . . . A 69 LYS N . 30937 1 820 . 1 . 1 72 72 ILE H H 1 7.804 0.000 . 1 . . . . A 70 ILE H . 30937 1 821 . 1 . 1 72 72 ILE HA H 1 3.680 0.010 . 1 . . . . A 70 ILE HA . 30937 1 822 . 1 . 1 72 72 ILE HB H 1 2.084 0.006 . 1 . . . . A 70 ILE HB . 30937 1 823 . 1 . 1 72 72 ILE HG12 H 1 1.895 0.006 . 1 . . . . A 70 ILE HG12 . 30937 1 824 . 1 . 1 72 72 ILE HG13 H 1 1.133 0.008 . 1 . . . . A 70 ILE HG13 . 30937 1 825 . 1 . 1 72 72 ILE HG21 H 1 1.073 0.010 . 1 . . . . A 70 ILE HG21 . 30937 1 826 . 1 . 1 72 72 ILE HG22 H 1 1.073 0.010 . 1 . . . . A 70 ILE HG22 . 30937 1 827 . 1 . 1 72 72 ILE HG23 H 1 1.073 0.010 . 1 . . . . A 70 ILE HG23 . 30937 1 828 . 1 . 1 72 72 ILE HD11 H 1 0.950 0.001 . 1 . . . . A 70 ILE HD11 . 30937 1 829 . 1 . 1 72 72 ILE HD12 H 1 0.950 0.001 . 1 . . . . A 70 ILE HD12 . 30937 1 830 . 1 . 1 72 72 ILE HD13 H 1 0.950 0.001 . 1 . . . . A 70 ILE HD13 . 30937 1 831 . 1 . 1 72 72 ILE C C 13 179.132 0.000 . 1 . . . . A 70 ILE C . 30937 1 832 . 1 . 1 72 72 ILE CA C 13 65.459 0.049 . 1 . . . . A 70 ILE CA . 30937 1 833 . 1 . 1 72 72 ILE CB C 13 37.711 0.034 . 1 . . . . A 70 ILE CB . 30937 1 834 . 1 . 1 72 72 ILE CG1 C 13 30.721 0.002 . 1 . . . . A 70 ILE CG1 . 30937 1 835 . 1 . 1 72 72 ILE CG2 C 13 18.973 0.006 . 1 . . . . A 70 ILE CG2 . 30937 1 836 . 1 . 1 72 72 ILE CD1 C 13 14.178 0.026 . 1 . . . . A 70 ILE CD1 . 30937 1 837 . 1 . 1 72 72 ILE N N 15 119.197 0.000 . 1 . . . . A 70 ILE N . 30937 1 838 . 1 . 1 73 73 ARG H H 1 8.631 0.000 . 1 . . . . A 71 ARG H . 30937 1 839 . 1 . 1 73 73 ARG HA H 1 4.260 0.006 . 1 . . . . A 71 ARG HA . 30937 1 840 . 1 . 1 73 73 ARG HB2 H 1 1.926 0.005 . 2 . . . . A 71 ARG HB2 . 30937 1 841 . 1 . 1 73 73 ARG HB3 H 1 1.926 0.005 . 2 . . . . A 71 ARG HB3 . 30937 1 842 . 1 . 1 73 73 ARG HG2 H 1 1.772 0.005 . 2 . . . . A 71 ARG HG2 . 30937 1 843 . 1 . 1 73 73 ARG HG3 H 1 1.772 0.005 . 2 . . . . A 71 ARG HG3 . 30937 1 844 . 1 . 1 73 73 ARG HD2 H 1 3.157 0.002 . 2 . . . . A 71 ARG HD2 . 30937 1 845 . 1 . 1 73 73 ARG HD3 H 1 3.235 0.001 . 2 . . . . A 71 ARG HD3 . 30937 1 846 . 1 . 1 73 73 ARG HE H 1 7.345 0.001 . 1 . . . . A 71 ARG HE . 30937 1 847 . 1 . 1 73 73 ARG C C 13 177.218 0.000 . 1 . . . . A 71 ARG C . 30937 1 848 . 1 . 1 73 73 ARG CA C 13 59.315 0.013 . 1 . . . . A 71 ARG CA . 30937 1 849 . 1 . 1 73 73 ARG CB C 13 30.359 0.000 . 1 . . . . A 71 ARG CB . 30937 1 850 . 1 . 1 73 73 ARG CG C 13 28.958 0.050 . 1 . . . . A 71 ARG CG . 30937 1 851 . 1 . 1 73 73 ARG CD C 13 43.496 0.052 . 1 . . . . A 71 ARG CD . 30937 1 852 . 1 . 1 73 73 ARG N N 15 119.516 0.000 . 1 . . . . A 71 ARG N . 30937 1 853 . 1 . 1 73 73 ARG NE N 15 85.512 0.116 . 1 . . . . A 71 ARG NE . 30937 1 854 . 1 . 1 74 74 ALA H H 1 7.467 0.000 . 1 . . . . A 72 ALA H . 30937 1 855 . 1 . 1 74 74 ALA HA H 1 4.465 0.003 . 1 . . . . A 72 ALA HA . 30937 1 856 . 1 . 1 74 74 ALA HB1 H 1 1.552 0.003 . 1 . . . . A 72 ALA HB1 . 30937 1 857 . 1 . 1 74 74 ALA HB2 H 1 1.552 0.003 . 1 . . . . A 72 ALA HB2 . 30937 1 858 . 1 . 1 74 74 ALA HB3 H 1 1.552 0.003 . 1 . . . . A 72 ALA HB3 . 30937 1 859 . 1 . 1 74 74 ALA C C 13 178.043 0.000 . 1 . . . . A 72 ALA C . 30937 1 860 . 1 . 1 74 74 ALA CA C 13 52.592 0.021 . 1 . . . . A 72 ALA CA . 30937 1 861 . 1 . 1 74 74 ALA CB C 13 18.925 0.025 . 1 . . . . A 72 ALA CB . 30937 1 862 . 1 . 1 74 74 ALA N N 15 119.270 0.000 . 1 . . . . A 72 ALA N . 30937 1 863 . 1 . 1 75 75 CYS H H 1 7.530 0.000 . 1 . . . . A 73 CYS H . 30937 1 864 . 1 . 1 75 75 CYS HA H 1 4.554 0.004 . 1 . . . . A 73 CYS HA . 30937 1 865 . 1 . 1 75 75 CYS HB2 H 1 3.375 0.005 . 2 . . . . A 73 CYS HB2 . 30937 1 866 . 1 . 1 75 75 CYS HB3 H 1 3.105 0.004 . 2 . . . . A 73 CYS HB3 . 30937 1 867 . 1 . 1 75 75 CYS C C 13 174.542 0.000 . 1 . . . . A 73 CYS C . 30937 1 868 . 1 . 1 75 75 CYS CA C 13 60.503 0.034 . 1 . . . . A 73 CYS CA . 30937 1 869 . 1 . 1 75 75 CYS CB C 13 27.656 0.009 . 1 . . . . A 73 CYS CB . 30937 1 870 . 1 . 1 75 75 CYS N N 15 119.073 0.000 . 1 . . . . A 73 CYS N . 30937 1 871 . 1 . 1 76 76 GLY H H 1 8.633 0.000 . 1 . . . . A 74 GLY H . 30937 1 872 . 1 . 1 76 76 GLY HA2 H 1 4.278 0.002 . 1 . . . . A 74 GLY HA2 . 30937 1 873 . 1 . 1 76 76 GLY HA3 H 1 3.932 0.004 . 1 . . . . A 74 GLY HA3 . 30937 1 874 . 1 . 1 76 76 GLY C C 13 174.709 0.000 . 1 . . . . A 74 GLY C . 30937 1 875 . 1 . 1 76 76 GLY CA C 13 45.865 0.048 . 1 . . . . A 74 GLY CA . 30937 1 876 . 1 . 1 76 76 GLY N N 15 110.585 0.000 . 1 . . . . A 74 GLY N . 30937 1 877 . 1 . 1 77 77 GLU H H 1 8.681 0.000 . 1 . . . . A 75 GLU H . 30937 1 878 . 1 . 1 77 77 GLU HA H 1 4.289 0.001 . 1 . . . . A 75 GLU HA . 30937 1 879 . 1 . 1 77 77 GLU HB2 H 1 2.073 0.002 . 1 . . . . A 75 GLU HB2 . 30937 1 880 . 1 . 1 77 77 GLU HB3 H 1 2.176 0.003 . 1 . . . . A 75 GLU HB3 . 30937 1 881 . 1 . 1 77 77 GLU HG2 H 1 2.373 0.000 . 2 . . . . A 75 GLU HG2 . 30937 1 882 . 1 . 1 77 77 GLU HG3 H 1 2.340 0.007 . 2 . . . . A 75 GLU HG3 . 30937 1 883 . 1 . 1 77 77 GLU C C 13 176.629 0.000 . 1 . . . . A 75 GLU C . 30937 1 884 . 1 . 1 77 77 GLU CA C 13 58.436 0.006 . 1 . . . . A 75 GLU CA . 30937 1 885 . 1 . 1 77 77 GLU CB C 13 30.876 0.103 . 1 . . . . A 75 GLU CB . 30937 1 886 . 1 . 1 77 77 GLU CG C 13 36.558 0.000 . 1 . . . . A 75 GLU CG . 30937 1 887 . 1 . 1 77 77 GLU N N 15 120.882 0.000 . 1 . . . . A 75 GLU N . 30937 1 888 . 1 . 1 78 78 ARG H H 1 7.890 0.000 . 1 . . . . A 76 ARG H . 30937 1 889 . 1 . 1 78 78 ARG HA H 1 5.105 0.005 . 1 . . . . A 76 ARG HA . 30937 1 890 . 1 . 1 78 78 ARG HB2 H 1 1.702 0.006 . 1 . . . . A 76 ARG HB2 . 30937 1 891 . 1 . 1 78 78 ARG HB3 H 1 1.789 0.009 . 1 . . . . A 76 ARG HB3 . 30937 1 892 . 1 . 1 78 78 ARG HG2 H 1 1.482 0.006 . 2 . . . . A 76 ARG HG2 . 30937 1 893 . 1 . 1 78 78 ARG HG3 H 1 1.482 0.006 . 2 . . . . A 76 ARG HG3 . 30937 1 894 . 1 . 1 78 78 ARG HD2 H 1 3.140 0.009 . 1 . . . . A 76 ARG HD2 . 30937 1 895 . 1 . 1 78 78 ARG HD3 H 1 3.056 0.009 . 1 . . . . A 76 ARG HD3 . 30937 1 896 . 1 . 1 78 78 ARG HE H 1 9.304 0.001 . 1 . . . . A 76 ARG HE . 30937 1 897 . 1 . 1 78 78 ARG C C 13 173.332 0.000 . 1 . . . . A 76 ARG C . 30937 1 898 . 1 . 1 78 78 ARG CA C 13 55.325 0.000 . 1 . . . . A 76 ARG CA . 30937 1 899 . 1 . 1 78 78 ARG CB C 13 33.242 0.017 . 1 . . . . A 76 ARG CB . 30937 1 900 . 1 . 1 78 78 ARG CG C 13 26.718 0.005 . 1 . . . . A 76 ARG CG . 30937 1 901 . 1 . 1 78 78 ARG CD C 13 43.327 0.006 . 1 . . . . A 76 ARG CD . 30937 1 902 . 1 . 1 78 78 ARG N N 15 117.321 0.000 . 1 . . . . A 76 ARG N . 30937 1 903 . 1 . 1 78 78 ARG NE N 15 85.427 0.069 . 1 . . . . A 76 ARG NE . 30937 1 904 . 1 . 1 79 79 LEU H H 1 8.413 0.000 . 1 . . . . A 77 LEU H . 30937 1 905 . 1 . 1 79 79 LEU HA H 1 4.568 0.002 . 1 . . . . A 77 LEU HA . 30937 1 906 . 1 . 1 79 79 LEU HB2 H 1 0.138 0.009 . 1 . . . . A 77 LEU HB2 . 30937 1 907 . 1 . 1 79 79 LEU HB3 H 1 0.368 0.008 . 1 . . . . A 77 LEU HB3 . 30937 1 908 . 1 . 1 79 79 LEU HG H 1 0.855 0.009 . 1 . . . . A 77 LEU HG . 30937 1 909 . 1 . 1 79 79 LEU HD11 H 1 0.103 0.010 . 1 . . . . A 77 LEU HD11 . 30937 1 910 . 1 . 1 79 79 LEU HD12 H 1 0.103 0.010 . 1 . . . . A 77 LEU HD12 . 30937 1 911 . 1 . 1 79 79 LEU HD13 H 1 0.103 0.010 . 1 . . . . A 77 LEU HD13 . 30937 1 912 . 1 . 1 79 79 LEU HD21 H 1 0.798 0.004 . 1 . . . . A 77 LEU HD21 . 30937 1 913 . 1 . 1 79 79 LEU HD22 H 1 0.798 0.004 . 1 . . . . A 77 LEU HD22 . 30937 1 914 . 1 . 1 79 79 LEU HD23 H 1 0.798 0.004 . 1 . . . . A 77 LEU HD23 . 30937 1 915 . 1 . 1 79 79 LEU C C 13 174.433 0.000 . 1 . . . . A 77 LEU C . 30937 1 916 . 1 . 1 79 79 LEU CA C 13 53.364 0.046 . 1 . . . . A 77 LEU CA . 30937 1 917 . 1 . 1 79 79 LEU CB C 13 43.324 0.002 . 1 . . . . A 77 LEU CB . 30937 1 918 . 1 . 1 79 79 LEU CG C 13 27.520 0.009 . 1 . . . . A 77 LEU CG . 30937 1 919 . 1 . 1 79 79 LEU CD1 C 13 26.045 0.006 . 1 . . . . A 77 LEU CD1 . 30937 1 920 . 1 . 1 79 79 LEU CD2 C 13 23.963 0.037 . 1 . . . . A 77 LEU CD2 . 30937 1 921 . 1 . 1 79 79 LEU N N 15 125.342 0.000 . 1 . . . . A 77 LEU N . 30937 1 922 . 1 . 1 80 80 SER H H 1 8.692 0.000 . 1 . . . . A 78 SER H . 30937 1 923 . 1 . 1 80 80 SER HA H 1 5.276 0.001 . 1 . . . . A 78 SER HA . 30937 1 924 . 1 . 1 80 80 SER HB2 H 1 3.713 0.001 . 2 . . . . A 78 SER HB2 . 30937 1 925 . 1 . 1 80 80 SER HB3 H 1 3.713 0.001 . 2 . . . . A 78 SER HB3 . 30937 1 926 . 1 . 1 80 80 SER C C 13 174.209 0.000 . 1 . . . . A 78 SER C . 30937 1 927 . 1 . 1 80 80 SER CA C 13 56.425 0.003 . 1 . . . . A 78 SER CA . 30937 1 928 . 1 . 1 80 80 SER CB C 13 63.835 0.005 . 1 . . . . A 78 SER CB . 30937 1 929 . 1 . 1 80 80 SER N N 15 122.097 0.000 . 1 . . . . A 78 SER N . 30937 1 930 . 1 . 1 81 81 LEU H H 1 8.978 0.000 . 1 . . . . A 79 LEU H . 30937 1 931 . 1 . 1 81 81 LEU HA H 1 4.939 0.001 . 1 . . . . A 79 LEU HA . 30937 1 932 . 1 . 1 81 81 LEU HB2 H 1 1.492 0.006 . 1 . . . . A 79 LEU HB2 . 30937 1 933 . 1 . 1 81 81 LEU HB3 H 1 1.057 0.008 . 1 . . . . A 79 LEU HB3 . 30937 1 934 . 1 . 1 81 81 LEU HG H 1 1.255 0.004 . 1 . . . . A 79 LEU HG . 30937 1 935 . 1 . 1 81 81 LEU HD11 H 1 0.750 0.006 . 2 . . . . A 79 LEU HD11 . 30937 1 936 . 1 . 1 81 81 LEU HD12 H 1 0.750 0.006 . 2 . . . . A 79 LEU HD12 . 30937 1 937 . 1 . 1 81 81 LEU HD13 H 1 0.750 0.006 . 2 . . . . A 79 LEU HD13 . 30937 1 938 . 1 . 1 81 81 LEU HD21 H 1 0.386 0.006 . 2 . . . . A 79 LEU HD21 . 30937 1 939 . 1 . 1 81 81 LEU HD22 H 1 0.386 0.006 . 2 . . . . A 79 LEU HD22 . 30937 1 940 . 1 . 1 81 81 LEU HD23 H 1 0.386 0.006 . 2 . . . . A 79 LEU HD23 . 30937 1 941 . 1 . 1 81 81 LEU C C 13 174.982 0.000 . 1 . . . . A 79 LEU C . 30937 1 942 . 1 . 1 81 81 LEU CA C 13 53.435 0.093 . 1 . . . . A 79 LEU CA . 30937 1 943 . 1 . 1 81 81 LEU CB C 13 45.503 0.012 . 1 . . . . A 79 LEU CB . 30937 1 944 . 1 . 1 81 81 LEU CG C 13 26.438 0.000 . 1 . . . . A 79 LEU CG . 30937 1 945 . 1 . 1 81 81 LEU CD1 C 13 23.882 0.000 . 1 . . . . A 79 LEU CD1 . 30937 1 946 . 1 . 1 81 81 LEU CD2 C 13 24.889 0.000 . 1 . . . . A 79 LEU CD2 . 30937 1 947 . 1 . 1 81 81 LEU N N 15 126.817 0.000 . 1 . . . . A 79 LEU N . 30937 1 948 . 1 . 1 82 82 GLY H H 1 8.394 0.001 . 1 . . . . A 80 GLY H . 30937 1 949 . 1 . 1 82 82 GLY HA2 H 1 4.542 0.002 . 1 . . . . A 80 GLY HA2 . 30937 1 950 . 1 . 1 82 82 GLY HA3 H 1 3.435 0.003 . 1 . . . . A 80 GLY HA3 . 30937 1 951 . 1 . 1 82 82 GLY C C 13 172.987 0.000 . 1 . . . . A 80 GLY C . 30937 1 952 . 1 . 1 82 82 GLY CA C 13 44.907 0.012 . 1 . . . . A 80 GLY CA . 30937 1 953 . 1 . 1 82 82 GLY N N 15 112.162 0.000 . 1 . . . . A 80 GLY N . 30937 1 954 . 1 . 1 83 83 LEU H H 1 8.684 0.000 . 1 . . . . A 81 LEU H . 30937 1 955 . 1 . 1 83 83 LEU HA H 1 5.653 0.001 . 1 . . . . A 81 LEU HA . 30937 1 956 . 1 . 1 83 83 LEU HB2 H 1 0.304 0.007 . 1 . . . . A 81 LEU HB2 . 30937 1 957 . 1 . 1 83 83 LEU HB3 H 1 0.936 0.006 . 1 . . . . A 81 LEU HB3 . 30937 1 958 . 1 . 1 83 83 LEU HG H 1 1.145 0.010 . 1 . . . . A 81 LEU HG . 30937 1 959 . 1 . 1 83 83 LEU HD11 H 1 0.655 0.009 . 1 . . . . A 81 LEU HD11 . 30937 1 960 . 1 . 1 83 83 LEU HD12 H 1 0.655 0.009 . 1 . . . . A 81 LEU HD12 . 30937 1 961 . 1 . 1 83 83 LEU HD13 H 1 0.655 0.009 . 1 . . . . A 81 LEU HD13 . 30937 1 962 . 1 . 1 83 83 LEU HD21 H 1 0.696 0.009 . 1 . . . . A 81 LEU HD21 . 30937 1 963 . 1 . 1 83 83 LEU HD22 H 1 0.696 0.009 . 1 . . . . A 81 LEU HD22 . 30937 1 964 . 1 . 1 83 83 LEU HD23 H 1 0.696 0.009 . 1 . . . . A 81 LEU HD23 . 30937 1 965 . 1 . 1 83 83 LEU C C 13 175.913 0.000 . 1 . . . . A 81 LEU C . 30937 1 966 . 1 . 1 83 83 LEU CA C 13 53.269 0.009 . 1 . . . . A 81 LEU CA . 30937 1 967 . 1 . 1 83 83 LEU CB C 13 46.584 0.000 . 1 . . . . A 81 LEU CB . 30937 1 968 . 1 . 1 83 83 LEU CG C 13 28.034 0.070 . 1 . . . . A 81 LEU CG . 30937 1 969 . 1 . 1 83 83 LEU CD1 C 13 27.930 0.001 . 1 . . . . A 81 LEU CD1 . 30937 1 970 . 1 . 1 83 83 LEU CD2 C 13 25.716 0.006 . 1 . . . . A 81 LEU CD2 . 30937 1 971 . 1 . 1 83 83 LEU N N 15 126.423 0.000 . 1 . . . . A 81 LEU N . 30937 1 972 . 1 . 1 84 84 SER H H 1 8.444 0.000 . 1 . . . . A 82 SER H . 30937 1 973 . 1 . 1 84 84 SER HA H 1 4.977 0.004 . 1 . . . . A 82 SER HA . 30937 1 974 . 1 . 1 84 84 SER HB2 H 1 3.859 0.008 . 1 . . . . A 82 SER HB2 . 30937 1 975 . 1 . 1 84 84 SER HB3 H 1 3.655 0.001 . 1 . . . . A 82 SER HB3 . 30937 1 976 . 1 . 1 84 84 SER HG H 1 4.989 0.000 . 1 . . . . A 82 SER HG . 30937 1 977 . 1 . 1 84 84 SER C C 13 173.195 0.000 . 1 . . . . A 82 SER C . 30937 1 978 . 1 . 1 84 84 SER CA C 13 57.438 0.074 . 1 . . . . A 82 SER CA . 30937 1 979 . 1 . 1 84 84 SER CB C 13 66.309 0.041 . 1 . . . . A 82 SER CB . 30937 1 980 . 1 . 1 84 84 SER N N 15 111.514 0.000 . 1 . . . . A 82 SER N . 30937 1 981 . 1 . 1 85 85 ARG H H 1 8.922 0.000 . 1 . . . . A 83 ARG H . 30937 1 982 . 1 . 1 85 85 ARG HA H 1 4.819 0.000 . 1 . . . . A 83 ARG HA . 30937 1 983 . 1 . 1 85 85 ARG HB2 H 1 1.962 0.000 . 2 . . . . A 83 ARG HB2 . 30937 1 984 . 1 . 1 85 85 ARG HB3 H 1 1.784 0.000 . 2 . . . . A 83 ARG HB3 . 30937 1 985 . 1 . 1 85 85 ARG HG2 H 1 1.618 0.007 . 2 . . . . A 83 ARG HG2 . 30937 1 986 . 1 . 1 85 85 ARG HG3 H 1 1.749 0.004 . 2 . . . . A 83 ARG HG3 . 30937 1 987 . 1 . 1 85 85 ARG HD2 H 1 3.175 0.000 . 2 . . . . A 83 ARG HD2 . 30937 1 988 . 1 . 1 85 85 ARG HD3 H 1 3.175 0.000 . 2 . . . . A 83 ARG HD3 . 30937 1 989 . 1 . 1 85 85 ARG HE H 1 7.841 0.001 . 1 . . . . A 83 ARG HE . 30937 1 990 . 1 . 1 85 85 ARG C C 13 175.713 0.000 . 1 . . . . A 83 ARG C . 30937 1 991 . 1 . 1 85 85 ARG CA C 13 55.375 0.000 . 1 . . . . A 83 ARG CA . 30937 1 992 . 1 . 1 85 85 ARG CB C 13 32.609 0.040 . 1 . . . . A 83 ARG CB . 30937 1 993 . 1 . 1 85 85 ARG CG C 13 26.552 0.000 . 1 . . . . A 83 ARG CG . 30937 1 994 . 1 . 1 85 85 ARG CD C 13 43.386 0.000 . 1 . . . . A 83 ARG CD . 30937 1 995 . 1 . 1 85 85 ARG N N 15 127.084 0.000 . 1 . . . . A 83 ARG N . 30937 1 996 . 1 . 1 85 85 ARG NE N 15 84.783 0.092 . 1 . . . . A 83 ARG NE . 30937 1 997 . 1 . 1 86 86 ALA H H 1 8.356 0.000 . 1 . . . . A 84 ALA H . 30937 1 998 . 1 . 1 86 86 ALA HA H 1 4.283 0.002 . 1 . . . . A 84 ALA HA . 30937 1 999 . 1 . 1 86 86 ALA HB1 H 1 1.249 0.000 . 1 . . . . A 84 ALA HB1 . 30937 1 1000 . 1 . 1 86 86 ALA HB2 H 1 1.249 0.000 . 1 . . . . A 84 ALA HB2 . 30937 1 1001 . 1 . 1 86 86 ALA HB3 H 1 1.249 0.000 . 1 . . . . A 84 ALA HB3 . 30937 1 1002 . 1 . 1 86 86 ALA C C 13 178.261 0.000 . 1 . . . . A 84 ALA C . 30937 1 1003 . 1 . 1 86 86 ALA CA C 13 52.882 0.000 . 1 . . . . A 84 ALA CA . 30937 1 1004 . 1 . 1 86 86 ALA CB C 13 19.193 0.004 . 1 . . . . A 84 ALA CB . 30937 1 1005 . 1 . 1 86 86 ALA N N 15 127.568 0.000 . 1 . . . . A 84 ALA N . 30937 1 1006 . 1 . 1 87 87 GLY H H 1 8.314 0.001 . 1 . . . . A 85 GLY H . 30937 1 1007 . 1 . 1 87 87 GLY HA2 H 1 3.886 0.000 . 1 . . . . A 85 GLY HA2 . 30937 1 1008 . 1 . 1 87 87 GLY HA3 H 1 3.786 0.007 . 1 . . . . A 85 GLY HA3 . 30937 1 1009 . 1 . 1 87 87 GLY C C 13 174.213 0.000 . 1 . . . . A 85 GLY C . 30937 1 1010 . 1 . 1 87 87 GLY CA C 13 45.437 0.001 . 1 . . . . A 85 GLY CA . 30937 1 1011 . 1 . 1 87 87 GLY N N 15 108.518 0.000 . 1 . . . . A 85 GLY N . 30937 1 1012 . 1 . 1 88 88 ALA H H 1 8.129 0.001 . 1 . . . . A 86 ALA H . 30937 1 1013 . 1 . 1 88 88 ALA HA H 1 4.322 0.009 . 1 . . . . A 86 ALA HA . 30937 1 1014 . 1 . 1 88 88 ALA HB1 H 1 1.396 0.001 . 1 . . . . A 86 ALA HB1 . 30937 1 1015 . 1 . 1 88 88 ALA HB2 H 1 1.396 0.001 . 1 . . . . A 86 ALA HB2 . 30937 1 1016 . 1 . 1 88 88 ALA HB3 H 1 1.396 0.001 . 1 . . . . A 86 ALA HB3 . 30937 1 1017 . 1 . 1 88 88 ALA C C 13 178.091 0.000 . 1 . . . . A 86 ALA C . 30937 1 1018 . 1 . 1 88 88 ALA CA C 13 52.845 0.069 . 1 . . . . A 86 ALA CA . 30937 1 1019 . 1 . 1 88 88 ALA CB C 13 19.255 0.001 . 1 . . . . A 86 ALA CB . 30937 1 1020 . 1 . 1 88 88 ALA N N 15 123.557 0.000 . 1 . . . . A 86 ALA N . 30937 1 1021 . 1 . 1 89 89 SER H H 1 8.246 0.000 . 1 . . . . A 87 SER H . 30937 1 1022 . 1 . 1 89 89 SER HA H 1 3.877 0.000 . 1 . . . . A 87 SER HA . 30937 1 1023 . 1 . 1 89 89 SER HB2 H 1 3.685 0.000 . 2 . . . . A 87 SER HB2 . 30937 1 1024 . 1 . 1 89 89 SER HB3 H 1 3.685 0.000 . 2 . . . . A 87 SER HB3 . 30937 1 1025 . 1 . 1 89 89 SER HG H 1 5.305 0.000 . 1 . . . . A 87 SER HG . 30937 1 1026 . 1 . 1 89 89 SER C C 13 174.608 0.000 . 1 . . . . A 87 SER C . 30937 1 1027 . 1 . 1 89 89 SER CA C 13 58.498 0.000 . 1 . . . . A 87 SER CA . 30937 1 1028 . 1 . 1 89 89 SER CB C 13 63.759 0.000 . 1 . . . . A 87 SER CB . 30937 1 1029 . 1 . 1 89 89 SER N N 15 114.496 0.000 . 1 . . . . A 87 SER N . 30937 1 1030 . 1 . 1 90 90 ALA H H 1 8.266 0.000 . 1 . . . . A 88 ALA H . 30937 1 1031 . 1 . 1 90 90 ALA HA H 1 4.320 0.002 . 1 . . . . A 88 ALA HA . 30937 1 1032 . 1 . 1 90 90 ALA HB1 H 1 1.397 0.001 . 1 . . . . A 88 ALA HB1 . 30937 1 1033 . 1 . 1 90 90 ALA HB2 H 1 1.397 0.001 . 1 . . . . A 88 ALA HB2 . 30937 1 1034 . 1 . 1 90 90 ALA HB3 H 1 1.397 0.001 . 1 . . . . A 88 ALA HB3 . 30937 1 1035 . 1 . 1 90 90 ALA C C 13 178.313 0.000 . 1 . . . . A 88 ALA C . 30937 1 1036 . 1 . 1 90 90 ALA CA C 13 52.947 0.001 . 1 . . . . A 88 ALA CA . 30937 1 1037 . 1 . 1 90 90 ALA CB C 13 19.130 0.050 . 1 . . . . A 88 ALA CB . 30937 1 1038 . 1 . 1 90 90 ALA N N 15 125.785 0.000 . 1 . . . . A 88 ALA N . 30937 1 1039 . 1 . 1 91 91 GLY H H 1 8.289 0.000 . 1 . . . . A 89 GLY H . 30937 1 1040 . 1 . 1 91 91 GLY HA2 H 1 3.935 0.000 . 2 . . . . A 89 GLY HA2 . 30937 1 1041 . 1 . 1 91 91 GLY HA3 H 1 3.792 0.000 . 2 . . . . A 89 GLY HA3 . 30937 1 1042 . 1 . 1 91 91 GLY C C 13 174.219 0.000 . 1 . . . . A 89 GLY C . 30937 1 1043 . 1 . 1 91 91 GLY CA C 13 45.332 0.000 . 1 . . . . A 89 GLY CA . 30937 1 1044 . 1 . 1 91 91 GLY N N 15 107.737 0.000 . 1 . . . . A 89 GLY N . 30937 1 1045 . 1 . 1 92 92 ALA H H 1 8.124 0.001 . 1 . . . . A 90 ALA H . 30937 1 1046 . 1 . 1 92 92 ALA HA H 1 4.345 0.000 . 1 . . . . A 90 ALA HA . 30937 1 1047 . 1 . 1 92 92 ALA HB1 H 1 1.398 0.000 . 1 . . . . A 90 ALA HB1 . 30937 1 1048 . 1 . 1 92 92 ALA HB2 H 1 1.398 0.000 . 1 . . . . A 90 ALA HB2 . 30937 1 1049 . 1 . 1 92 92 ALA HB3 H 1 1.398 0.000 . 1 . . . . A 90 ALA HB3 . 30937 1 1050 . 1 . 1 92 92 ALA C C 13 178.116 0.000 . 1 . . . . A 90 ALA C . 30937 1 1051 . 1 . 1 92 92 ALA CA C 13 52.794 0.000 . 1 . . . . A 90 ALA CA . 30937 1 1052 . 1 . 1 92 92 ALA CB C 13 19.381 0.000 . 1 . . . . A 90 ALA CB . 30937 1 1053 . 1 . 1 92 92 ALA N N 15 123.752 0.000 . 1 . . . . A 90 ALA N . 30937 1 1054 . 1 . 1 93 93 SER H H 1 8.278 0.002 . 1 . . . . A 91 SER H . 30937 1 1055 . 1 . 1 93 93 SER HA H 1 3.933 0.000 . 1 . . . . A 91 SER HA . 30937 1 1056 . 1 . 1 93 93 SER HB2 H 1 3.579 0.000 . 2 . . . . A 91 SER HB2 . 30937 1 1057 . 1 . 1 93 93 SER HB3 H 1 3.579 0.000 . 2 . . . . A 91 SER HB3 . 30937 1 1058 . 1 . 1 93 93 SER HG H 1 5.015 0.000 . 1 . . . . A 91 SER HG . 30937 1 1059 . 1 . 1 93 93 SER C C 13 174.590 0.000 . 1 . . . . A 91 SER C . 30937 1 1060 . 1 . 1 93 93 SER CA C 13 58.526 0.000 . 1 . . . . A 91 SER CA . 30937 1 1061 . 1 . 1 93 93 SER CB C 13 63.792 0.000 . 1 . . . . A 91 SER CB . 30937 1 1062 . 1 . 1 93 93 SER N N 15 114.846 0.000 . 1 . . . . A 91 SER N . 30937 1 1063 . 1 . 1 94 94 ALA H H 1 8.287 0.001 . 1 . . . . A 92 ALA H . 30937 1 1064 . 1 . 1 94 94 ALA HA H 1 4.321 0.003 . 1 . . . . A 92 ALA HA . 30937 1 1065 . 1 . 1 94 94 ALA HB1 H 1 1.395 0.007 . 1 . . . . A 92 ALA HB1 . 30937 1 1066 . 1 . 1 94 94 ALA HB2 H 1 1.395 0.007 . 1 . . . . A 92 ALA HB2 . 30937 1 1067 . 1 . 1 94 94 ALA HB3 H 1 1.395 0.007 . 1 . . . . A 92 ALA HB3 . 30937 1 1068 . 1 . 1 94 94 ALA C C 13 178.313 0.000 . 1 . . . . A 92 ALA C . 30937 1 1069 . 1 . 1 94 94 ALA CA C 13 52.939 0.000 . 1 . . . . A 92 ALA CA . 30937 1 1070 . 1 . 1 94 94 ALA CB C 13 19.171 0.009 . 1 . . . . A 92 ALA CB . 30937 1 1071 . 1 . 1 94 94 ALA N N 15 125.806 0.021 . 1 . . . . A 92 ALA N . 30937 1 1072 . 1 . 1 95 95 GLY H H 1 8.314 0.000 . 1 . . . . A 93 GLY H . 30937 1 1073 . 1 . 1 95 95 GLY CA C 13 45.278 0.000 . 1 . . . . A 93 GLY CA . 30937 1 1074 . 1 . 1 95 95 GLY N N 15 107.789 0.000 . 1 . . . . A 93 GLY N . 30937 1 1075 . 1 . 1 96 96 ALA HA H 1 4.344 0.000 . 1 . . . . A 94 ALA HA . 30937 1 1076 . 1 . 1 96 96 ALA HB1 H 1 1.382 0.000 . 1 . . . . A 94 ALA HB1 . 30937 1 1077 . 1 . 1 96 96 ALA HB2 H 1 1.382 0.000 . 1 . . . . A 94 ALA HB2 . 30937 1 1078 . 1 . 1 96 96 ALA HB3 H 1 1.382 0.000 . 1 . . . . A 94 ALA HB3 . 30937 1 1079 . 1 . 1 96 96 ALA C C 13 178.106 0.000 . 1 . . . . A 94 ALA C . 30937 1 1080 . 1 . 1 96 96 ALA CA C 13 52.792 0.000 . 1 . . . . A 94 ALA CA . 30937 1 1081 . 1 . 1 96 96 ALA CB C 13 19.378 0.000 . 1 . . . . A 94 ALA CB . 30937 1 1082 . 1 . 1 97 97 SER H H 1 8.273 0.001 . 1 . . . . A 95 SER H . 30937 1 1083 . 1 . 1 97 97 SER HA H 1 3.873 0.000 . 1 . . . . A 95 SER HA . 30937 1 1084 . 1 . 1 97 97 SER HB2 H 1 3.683 0.000 . 2 . . . . A 95 SER HB2 . 30937 1 1085 . 1 . 1 97 97 SER HB3 H 1 3.683 0.000 . 2 . . . . A 95 SER HB3 . 30937 1 1086 . 1 . 1 97 97 SER HG H 1 5.314 0.000 . 1 . . . . A 95 SER HG . 30937 1 1087 . 1 . 1 97 97 SER CA C 13 58.507 0.000 . 1 . . . . A 95 SER CA . 30937 1 1088 . 1 . 1 97 97 SER CB C 13 63.876 0.000 . 1 . . . . A 95 SER CB . 30937 1 1089 . 1 . 1 97 97 SER N N 15 114.798 0.000 . 1 . . . . A 95 SER N . 30937 1 1090 . 1 . 1 98 98 ALA H H 1 8.189 0.000 . 1 . . . . A 96 ALA H . 30937 1 1091 . 1 . 1 98 98 ALA HA H 1 4.287 0.002 . 1 . . . . A 96 ALA HA . 30937 1 1092 . 1 . 1 98 98 ALA HB1 H 1 1.323 0.007 . 1 . . . . A 96 ALA HB1 . 30937 1 1093 . 1 . 1 98 98 ALA HB2 H 1 1.323 0.007 . 1 . . . . A 96 ALA HB2 . 30937 1 1094 . 1 . 1 98 98 ALA HB3 H 1 1.323 0.007 . 1 . . . . A 96 ALA HB3 . 30937 1 1095 . 1 . 1 98 98 ALA C C 13 177.508 0.000 . 1 . . . . A 96 ALA C . 30937 1 1096 . 1 . 1 98 98 ALA CA C 13 52.763 0.021 . 1 . . . . A 96 ALA CA . 30937 1 1097 . 1 . 1 98 98 ALA CB C 13 19.153 0.053 . 1 . . . . A 96 ALA CB . 30937 1 1098 . 1 . 1 98 98 ALA N N 15 125.455 0.000 . 1 . . . . A 96 ALA N . 30937 1 1099 . 1 . 1 99 99 HIS H H 1 8.278 0.000 . 1 . . . . A 97 HIS H . 30937 1 1100 . 1 . 1 99 99 HIS HA H 1 4.684 0.007 . 1 . . . . A 97 HIS HA . 30937 1 1101 . 1 . 1 99 99 HIS HB2 H 1 3.260 0.002 . 2 . . . . A 97 HIS HB2 . 30937 1 1102 . 1 . 1 99 99 HIS HB3 H 1 3.125 0.005 . 2 . . . . A 97 HIS HB3 . 30937 1 1103 . 1 . 1 99 99 HIS C C 13 175.117 0.000 . 1 . . . . A 97 HIS C . 30937 1 1104 . 1 . 1 99 99 HIS CA C 13 55.150 0.007 . 1 . . . . A 97 HIS CA . 30937 1 1105 . 1 . 1 99 99 HIS CB C 13 29.687 0.043 . 1 . . . . A 97 HIS CB . 30937 1 1106 . 1 . 1 99 99 HIS N N 15 117.031 0.000 . 1 . . . . A 97 HIS N . 30937 1 1107 . 1 . 1 100 100 GLY H H 1 8.275 0.000 . 1 . . . . A 98 GLY H . 30937 1 1108 . 1 . 1 100 100 GLY HA2 H 1 3.892 0.000 . 2 . . . . A 98 GLY HA2 . 30937 1 1109 . 1 . 1 100 100 GLY HA3 H 1 4.106 0.000 . 2 . . . . A 98 GLY HA3 . 30937 1 1110 . 1 . 1 100 100 GLY C C 13 173.547 0.000 . 1 . . . . A 98 GLY C . 30937 1 1111 . 1 . 1 100 100 GLY CA C 13 45.276 0.000 . 1 . . . . A 98 GLY CA . 30937 1 1112 . 1 . 1 100 100 GLY N N 15 109.388 0.000 . 1 . . . . A 98 GLY N . 30937 1 1113 . 1 . 1 101 101 ASN H H 1 8.292 0.000 . 1 . . . . A 99 ASN H . 30937 1 1114 . 1 . 1 101 101 ASN HA H 1 4.664 0.004 . 1 . . . . A 99 ASN HA . 30937 1 1115 . 1 . 1 101 101 ASN HB2 H 1 2.618 0.002 . 2 . . . . A 99 ASN HB2 . 30937 1 1116 . 1 . 1 101 101 ASN HB3 H 1 2.717 0.006 . 2 . . . . A 99 ASN HB3 . 30937 1 1117 . 1 . 1 101 101 ASN HD21 H 1 7.501 0.000 . 2 . . . . A 99 ASN HD21 . 30937 1 1118 . 1 . 1 101 101 ASN HD22 H 1 6.861 0.000 . 2 . . . . A 99 ASN HD22 . 30937 1 1119 . 1 . 1 101 101 ASN C C 13 174.922 0.000 . 1 . . . . A 99 ASN C . 30937 1 1120 . 1 . 1 101 101 ASN CA C 13 53.235 0.000 . 1 . . . . A 99 ASN CA . 30937 1 1121 . 1 . 1 101 101 ASN CB C 13 38.841 0.004 . 1 . . . . A 99 ASN CB . 30937 1 1122 . 1 . 1 101 101 ASN N N 15 118.762 0.000 . 1 . . . . A 99 ASN N . 30937 1 1123 . 1 . 1 101 101 ASN ND2 N 15 112.537 0.015 . 1 . . . . A 99 ASN ND2 . 30937 1 1124 . 1 . 1 102 102 PHE H H 1 8.175 0.000 . 1 . . . . A 100 PHE H . 30937 1 1125 . 1 . 1 102 102 PHE HA H 1 4.529 0.002 . 1 . . . . A 100 PHE HA . 30937 1 1126 . 1 . 1 102 102 PHE HB2 H 1 3.055 0.003 . 2 . . . . A 100 PHE HB2 . 30937 1 1127 . 1 . 1 102 102 PHE HB3 H 1 2.901 0.003 . 2 . . . . A 100 PHE HB3 . 30937 1 1128 . 1 . 1 102 102 PHE HD1 H 1 7.170 0.000 . 1 . . . . A 100 PHE HD1 . 30937 1 1129 . 1 . 1 102 102 PHE HD2 H 1 7.170 0.000 . 1 . . . . A 100 PHE HD2 . 30937 1 1130 . 1 . 1 102 102 PHE C C 13 175.331 0.000 . 1 . . . . A 100 PHE C . 30937 1 1131 . 1 . 1 102 102 PHE CA C 13 57.786 0.007 . 1 . . . . A 100 PHE CA . 30937 1 1132 . 1 . 1 102 102 PHE CB C 13 39.428 0.021 . 1 . . . . A 100 PHE CB . 30937 1 1133 . 1 . 1 102 102 PHE CD1 C 13 131.524 0.008 . 1 . . . . A 100 PHE CD1 . 30937 1 1134 . 1 . 1 102 102 PHE N N 15 120.821 0.000 . 1 . . . . A 100 PHE N . 30937 1 1135 . 1 . 1 103 103 ALA H H 1 8.076 0.000 . 1 . . . . A 101 ALA H . 30937 1 1136 . 1 . 1 103 103 ALA HA H 1 4.209 0.003 . 1 . . . . A 101 ALA HA . 30937 1 1137 . 1 . 1 103 103 ALA HB1 H 1 1.215 0.003 . 1 . . . . A 101 ALA HB1 . 30937 1 1138 . 1 . 1 103 103 ALA HB2 H 1 1.215 0.003 . 1 . . . . A 101 ALA HB2 . 30937 1 1139 . 1 . 1 103 103 ALA HB3 H 1 1.215 0.003 . 1 . . . . A 101 ALA HB3 . 30937 1 1140 . 1 . 1 103 103 ALA C C 13 177.009 0.000 . 1 . . . . A 101 ALA C . 30937 1 1141 . 1 . 1 103 103 ALA CA C 13 52.424 0.012 . 1 . . . . A 101 ALA CA . 30937 1 1142 . 1 . 1 103 103 ALA CB C 13 19.044 0.057 . 1 . . . . A 101 ALA CB . 30937 1 1143 . 1 . 1 103 103 ALA N N 15 124.807 0.000 . 1 . . . . A 101 ALA N . 30937 1 1144 . 1 . 1 104 104 PHE H H 1 7.997 0.000 . 1 . . . . A 102 PHE H . 30937 1 1145 . 1 . 1 104 104 PHE HA H 1 4.533 0.001 . 1 . . . . A 102 PHE HA . 30937 1 1146 . 1 . 1 104 104 PHE HB2 H 1 2.959 0.000 . 2 . . . . A 102 PHE HB2 . 30937 1 1147 . 1 . 1 104 104 PHE HB3 H 1 3.065 0.002 . 2 . . . . A 102 PHE HB3 . 30937 1 1148 . 1 . 1 104 104 PHE HD1 H 1 7.194 0.000 . 1 . . . . A 102 PHE HD1 . 30937 1 1149 . 1 . 1 104 104 PHE HD2 H 1 7.194 0.000 . 1 . . . . A 102 PHE HD2 . 30937 1 1150 . 1 . 1 104 104 PHE HE1 H 1 7.277 0.000 . 1 . . . . A 102 PHE HE1 . 30937 1 1151 . 1 . 1 104 104 PHE HE2 H 1 7.277 0.000 . 1 . . . . A 102 PHE HE2 . 30937 1 1152 . 1 . 1 104 104 PHE HZ H 1 7.230 0.001 . 1 . . . . A 102 PHE HZ . 30937 1 1153 . 1 . 1 104 104 PHE C C 13 175.629 0.000 . 1 . . . . A 102 PHE C . 30937 1 1154 . 1 . 1 104 104 PHE CA C 13 57.626 0.000 . 1 . . . . A 102 PHE CA . 30937 1 1155 . 1 . 1 104 104 PHE CB C 13 39.482 0.023 . 1 . . . . A 102 PHE CB . 30937 1 1156 . 1 . 1 104 104 PHE CD1 C 13 131.568 0.004 . 1 . . . . A 102 PHE CD1 . 30937 1 1157 . 1 . 1 104 104 PHE CE2 C 13 131.837 0.035 . 1 . . . . A 102 PHE CE2 . 30937 1 1158 . 1 . 1 104 104 PHE CZ C 13 129.754 0.009 . 1 . . . . A 102 PHE CZ . 30937 1 1159 . 1 . 1 104 104 PHE N N 15 118.899 0.000 . 1 . . . . A 102 PHE N . 30937 1 1160 . 1 . 1 105 105 GLU H H 1 8.229 0.001 . 1 . . . . A 103 GLU H . 30937 1 1161 . 1 . 1 105 105 GLU HA H 1 4.243 0.002 . 1 . . . . A 103 GLU HA . 30937 1 1162 . 1 . 1 105 105 GLU HB2 H 1 1.889 0.002 . 1 . . . . A 103 GLU HB2 . 30937 1 1163 . 1 . 1 105 105 GLU HB3 H 1 2.025 0.004 . 1 . . . . A 103 GLU HB3 . 30937 1 1164 . 1 . 1 105 105 GLU HG2 H 1 2.213 0.002 . 1 . . . . A 103 GLU HG2 . 30937 1 1165 . 1 . 1 105 105 GLU HG3 H 1 2.212 0.005 . 1 . . . . A 103 GLU HG3 . 30937 1 1166 . 1 . 1 105 105 GLU C C 13 176.505 0.000 . 1 . . . . A 103 GLU C . 30937 1 1167 . 1 . 1 105 105 GLU CA C 13 56.483 0.007 . 1 . . . . A 103 GLU CA . 30937 1 1168 . 1 . 1 105 105 GLU CB C 13 30.648 0.048 . 1 . . . . A 103 GLU CB . 30937 1 1169 . 1 . 1 105 105 GLU CG C 13 36.221 0.000 . 1 . . . . A 103 GLU CG . 30937 1 1170 . 1 . 1 105 105 GLU N N 15 122.519 0.000 . 1 . . . . A 103 GLU N . 30937 1 1171 . 1 . 1 106 106 GLY H H 1 8.020 0.000 . 1 . . . . A 104 GLY H . 30937 1 1172 . 1 . 1 106 106 GLY HA2 H 1 3.878 0.003 . 1 . . . . A 104 GLY HA2 . 30937 1 1173 . 1 . 1 106 106 GLY HA3 H 1 3.877 0.003 . 1 . . . . A 104 GLY HA3 . 30937 1 1174 . 1 . 1 106 106 GLY C C 13 173.953 0.000 . 1 . . . . A 104 GLY C . 30937 1 1175 . 1 . 1 106 106 GLY CA C 13 45.326 0.023 . 1 . . . . A 104 GLY CA . 30937 1 1176 . 1 . 1 106 106 GLY N N 15 109.639 0.000 . 1 . . . . A 104 GLY N . 30937 1 1177 . 1 . 1 107 107 ILE H H 1 8.039 0.000 . 1 . . . . A 105 ILE H . 30937 1 1178 . 1 . 1 107 107 ILE HA H 1 4.215 0.003 . 1 . . . . A 105 ILE HA . 30937 1 1179 . 1 . 1 107 107 ILE HB H 1 1.887 0.004 . 1 . . . . A 105 ILE HB . 30937 1 1180 . 1 . 1 107 107 ILE HG12 H 1 1.444 0.003 . 1 . . . . A 105 ILE HG12 . 30937 1 1181 . 1 . 1 107 107 ILE HG13 H 1 1.184 0.005 . 1 . . . . A 105 ILE HG13 . 30937 1 1182 . 1 . 1 107 107 ILE HG21 H 1 0.909 0.006 . 1 . . . . A 105 ILE HG21 . 30937 1 1183 . 1 . 1 107 107 ILE HG22 H 1 0.909 0.006 . 1 . . . . A 105 ILE HG22 . 30937 1 1184 . 1 . 1 107 107 ILE HG23 H 1 0.909 0.006 . 1 . . . . A 105 ILE HG23 . 30937 1 1185 . 1 . 1 107 107 ILE HD11 H 1 0.845 0.005 . 1 . . . . A 105 ILE HD11 . 30937 1 1186 . 1 . 1 107 107 ILE HD12 H 1 0.845 0.005 . 1 . . . . A 105 ILE HD12 . 30937 1 1187 . 1 . 1 107 107 ILE HD13 H 1 0.845 0.005 . 1 . . . . A 105 ILE HD13 . 30937 1 1188 . 1 . 1 107 107 ILE C C 13 176.739 0.000 . 1 . . . . A 105 ILE C . 30937 1 1189 . 1 . 1 107 107 ILE CA C 13 61.223 0.010 . 1 . . . . A 105 ILE CA . 30937 1 1190 . 1 . 1 107 107 ILE CB C 13 38.598 0.009 . 1 . . . . A 105 ILE CB . 30937 1 1191 . 1 . 1 107 107 ILE CG1 C 13 27.183 0.032 . 1 . . . . A 105 ILE CG1 . 30937 1 1192 . 1 . 1 107 107 ILE CG2 C 13 17.559 0.011 . 1 . . . . A 105 ILE CG2 . 30937 1 1193 . 1 . 1 107 107 ILE CD1 C 13 12.994 0.049 . 1 . . . . A 105 ILE CD1 . 30937 1 1194 . 1 . 1 107 107 ILE N N 15 119.867 0.000 . 1 . . . . A 105 ILE N . 30937 1 1195 . 1 . 1 108 108 GLY H H 1 8.761 0.000 . 1 . . . . A 106 GLY H . 30937 1 1196 . 1 . 1 108 108 GLY HA2 H 1 4.067 0.006 . 1 . . . . A 106 GLY HA2 . 30937 1 1197 . 1 . 1 108 108 GLY HA3 H 1 4.063 0.009 . 1 . . . . A 106 GLY HA3 . 30937 1 1198 . 1 . 1 108 108 GLY C C 13 174.225 0.000 . 1 . . . . A 106 GLY C . 30937 1 1199 . 1 . 1 108 108 GLY CA C 13 45.425 0.028 . 1 . . . . A 106 GLY CA . 30937 1 1200 . 1 . 1 108 108 GLY N N 15 113.618 0.000 . 1 . . . . A 106 GLY N . 30937 1 1201 . 1 . 1 109 109 ASP H H 1 8.304 0.000 . 1 . . . . A 107 ASP H . 30937 1 1202 . 1 . 1 109 109 ASP HA H 1 4.704 0.009 . 1 . . . . A 107 ASP HA . 30937 1 1203 . 1 . 1 109 109 ASP HB2 H 1 2.629 0.004 . 2 . . . . A 107 ASP HB2 . 30937 1 1204 . 1 . 1 109 109 ASP HB3 H 1 2.747 0.010 . 2 . . . . A 107 ASP HB3 . 30937 1 1205 . 1 . 1 109 109 ASP C C 13 176.032 0.000 . 1 . . . . A 107 ASP C . 30937 1 1206 . 1 . 1 109 109 ASP CA C 13 54.680 0.000 . 1 . . . . A 107 ASP CA . 30937 1 1207 . 1 . 1 109 109 ASP CB C 13 41.101 0.042 . 1 . . . . A 107 ASP CB . 30937 1 1208 . 1 . 1 109 109 ASP N N 15 121.241 0.000 . 1 . . . . A 107 ASP N . 30937 1 1209 . 1 . 1 110 110 GLU H H 1 8.127 0.001 . 1 . . . . A 108 GLU H . 30937 1 1210 . 1 . 1 110 110 GLU HA H 1 4.250 0.007 . 1 . . . . A 108 GLU HA . 30937 1 1211 . 1 . 1 110 110 GLU HB2 H 1 2.067 0.002 . 1 . . . . A 108 GLU HB2 . 30937 1 1212 . 1 . 1 110 110 GLU HB3 H 1 1.709 0.004 . 1 . . . . A 108 GLU HB3 . 30937 1 1213 . 1 . 1 110 110 GLU HG2 H 1 2.282 0.008 . 2 . . . . A 108 GLU HG2 . 30937 1 1214 . 1 . 1 110 110 GLU HG3 H 1 2.245 0.008 . 2 . . . . A 108 GLU HG3 . 30937 1 1215 . 1 . 1 110 110 GLU C C 13 176.126 0.000 . 1 . . . . A 108 GLU C . 30937 1 1216 . 1 . 1 110 110 GLU CA C 13 56.317 0.000 . 1 . . . . A 108 GLU CA . 30937 1 1217 . 1 . 1 110 110 GLU CB C 13 31.393 0.013 . 1 . . . . A 108 GLU CB . 30937 1 1218 . 1 . 1 110 110 GLU CG C 13 36.024 0.000 . 1 . . . . A 108 GLU CG . 30937 1 1219 . 1 . 1 110 110 GLU N N 15 118.322 0.000 . 1 . . . . A 108 GLU N . 30937 1 1220 . 1 . 1 111 111 ASP H H 1 8.080 0.000 . 1 . . . . A 109 ASP H . 30937 1 1221 . 1 . 1 111 111 ASP HA H 1 4.395 0.003 . 1 . . . . A 109 ASP HA . 30937 1 1222 . 1 . 1 111 111 ASP HB2 H 1 2.549 0.007 . 1 . . . . A 109 ASP HB2 . 30937 1 1223 . 1 . 1 111 111 ASP HB3 H 1 2.801 0.007 . 1 . . . . A 109 ASP HB3 . 30937 1 1224 . 1 . 1 111 111 ASP C C 13 174.618 0.000 . 1 . . . . A 109 ASP C . 30937 1 1225 . 1 . 1 111 111 ASP CA C 13 56.266 0.071 . 1 . . . . A 109 ASP CA . 30937 1 1226 . 1 . 1 111 111 ASP CB C 13 41.059 0.002 . 1 . . . . A 109 ASP CB . 30937 1 1227 . 1 . 1 111 111 ASP N N 15 120.305 0.000 . 1 . . . . A 109 ASP N . 30937 1 1228 . 1 . 1 112 112 LEU H H 1 8.398 0.000 . 1 . . . . A 110 LEU H . 30937 1 1229 . 1 . 1 112 112 LEU HA H 1 4.301 0.008 . 1 . . . . A 110 LEU HA . 30937 1 1230 . 1 . 1 112 112 LEU HB2 H 1 1.228 0.003 . 2 . . . . A 110 LEU HB2 . 30937 1 1231 . 1 . 1 112 112 LEU HB3 H 1 1.083 0.002 . 2 . . . . A 110 LEU HB3 . 30937 1 1232 . 1 . 1 112 112 LEU HG H 1 1.759 0.003 . 1 . . . . A 110 LEU HG . 30937 1 1233 . 1 . 1 112 112 LEU HD11 H 1 0.763 0.001 . 2 . . . . A 110 LEU HD11 . 30937 1 1234 . 1 . 1 112 112 LEU HD12 H 1 0.763 0.001 . 2 . . . . A 110 LEU HD12 . 30937 1 1235 . 1 . 1 112 112 LEU HD13 H 1 0.763 0.001 . 2 . . . . A 110 LEU HD13 . 30937 1 1236 . 1 . 1 112 112 LEU HD21 H 1 0.777 0.007 . 2 . . . . A 110 LEU HD21 . 30937 1 1237 . 1 . 1 112 112 LEU HD22 H 1 0.777 0.007 . 2 . . . . A 110 LEU HD22 . 30937 1 1238 . 1 . 1 112 112 LEU HD23 H 1 0.777 0.007 . 2 . . . . A 110 LEU HD23 . 30937 1 1239 . 1 . 1 112 112 LEU CA C 13 55.561 0.000 . 1 . . . . A 110 LEU CA . 30937 1 1240 . 1 . 1 112 112 LEU CB C 13 42.885 0.056 . 1 . . . . A 110 LEU CB . 30937 1 1241 . 1 . 1 112 112 LEU CG C 13 27.183 0.093 . 1 . . . . A 110 LEU CG . 30937 1 1242 . 1 . 1 112 112 LEU CD1 C 13 27.339 0.004 . 1 . . . . A 110 LEU CD1 . 30937 1 1243 . 1 . 1 112 112 LEU CD2 C 13 26.229 0.000 . 1 . . . . A 110 LEU CD2 . 30937 1 1244 . 1 . 1 112 112 LEU N N 15 130.756 0.001 . 1 . . . . A 110 LEU N . 30937 1 stop_ save_