data_27103 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27103 _Entry.Title ; Backbone assignment for Met66 prodomain of BDNF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-09 _Entry.Accession_date 2017-05-09 _Entry.Last_release_date 2017-05-09 _Entry.Original_release_date 2017-05-09 _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 _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 Jing Wang . . . . 27103 2 Clay Bracken . . . . 27103 3 Henrietta Bains . . . . 27103 4 Agustin Anastasia . . . . 27103 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27103 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 311 27103 '15N chemical shifts' 103 27103 '1H chemical shifts' 103 27103 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-07-22 . original BMRB . 27103 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27102 'Val66 prodomain of BDNF' 27103 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27103 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 28933046 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR backbone resonance assignments of the prodomain variants of BDNF in the urea denatured state ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 43 _Citation.Page_last 45 _Citation.Year 2018 _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 Jing Wang J. . . . 27103 1 2 Henrietta Bains H. . . . 27103 1 3 Agustin Anastasia A. . . . 27103 1 4 Clay Bracken C. . . . 27103 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27103 _Assembly.ID 1 _Assembly.Name 'Met66 BDNF prodomain' _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 'Met66 BDNF prodomain' 1 $Met66_BDNF_prodomain A . yes native no no . . . 27103 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Met66_BDNF_prodomain _Entity.Sf_category entity _Entity.Sf_framecode Met66_BDNF_prodomain _Entity.Entry_ID 27103 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Met66_BDNF_prodomain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SMAPMKEANIRGQGGLAYPG VRTHGTLESVNGPKAGSRGL TSLADTFEHMIEELLDEDQK VRPNEENNKDADLYTSRVML SSQVPLEPPLLFLLEEYKNY LDAANMSMRVRR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 17 SER . 27103 1 2 18 MET . 27103 1 3 19 ALA . 27103 1 4 20 PRO . 27103 1 5 21 MET . 27103 1 6 22 LYS . 27103 1 7 23 GLU . 27103 1 8 24 ALA . 27103 1 9 25 ASN . 27103 1 10 26 ILE . 27103 1 11 27 ARG . 27103 1 12 28 GLY . 27103 1 13 29 GLN . 27103 1 14 30 GLY . 27103 1 15 31 GLY . 27103 1 16 32 LEU . 27103 1 17 33 ALA . 27103 1 18 34 TYR . 27103 1 19 35 PRO . 27103 1 20 36 GLY . 27103 1 21 37 VAL . 27103 1 22 38 ARG . 27103 1 23 39 THR . 27103 1 24 40 HIS . 27103 1 25 41 GLY . 27103 1 26 42 THR . 27103 1 27 43 LEU . 27103 1 28 44 GLU . 27103 1 29 45 SER . 27103 1 30 46 VAL . 27103 1 31 47 ASN . 27103 1 32 48 GLY . 27103 1 33 49 PRO . 27103 1 34 50 LYS . 27103 1 35 51 ALA . 27103 1 36 52 GLY . 27103 1 37 53 SER . 27103 1 38 54 ARG . 27103 1 39 55 GLY . 27103 1 40 56 LEU . 27103 1 41 57 THR . 27103 1 42 58 SER . 27103 1 43 59 LEU . 27103 1 44 60 ALA . 27103 1 45 61 ASP . 27103 1 46 62 THR . 27103 1 47 63 PHE . 27103 1 48 64 GLU . 27103 1 49 65 HIS . 27103 1 50 66 MET . 27103 1 51 67 ILE . 27103 1 52 68 GLU . 27103 1 53 69 GLU . 27103 1 54 70 LEU . 27103 1 55 71 LEU . 27103 1 56 72 ASP . 27103 1 57 73 GLU . 27103 1 58 74 ASP . 27103 1 59 75 GLN . 27103 1 60 76 LYS . 27103 1 61 77 VAL . 27103 1 62 78 ARG . 27103 1 63 79 PRO . 27103 1 64 80 ASN . 27103 1 65 81 GLU . 27103 1 66 82 GLU . 27103 1 67 83 ASN . 27103 1 68 84 ASN . 27103 1 69 85 LYS . 27103 1 70 86 ASP . 27103 1 71 87 ALA . 27103 1 72 88 ASP . 27103 1 73 89 LEU . 27103 1 74 90 TYR . 27103 1 75 91 THR . 27103 1 76 92 SER . 27103 1 77 93 ARG . 27103 1 78 94 VAL . 27103 1 79 95 MET . 27103 1 80 96 LEU . 27103 1 81 97 SER . 27103 1 82 98 SER . 27103 1 83 99 GLN . 27103 1 84 100 VAL . 27103 1 85 101 PRO . 27103 1 86 102 LEU . 27103 1 87 103 GLU . 27103 1 88 104 PRO . 27103 1 89 105 PRO . 27103 1 90 106 LEU . 27103 1 91 107 LEU . 27103 1 92 108 PHE . 27103 1 93 109 LEU . 27103 1 94 110 LEU . 27103 1 95 111 GLU . 27103 1 96 112 GLU . 27103 1 97 113 TYR . 27103 1 98 114 LYS . 27103 1 99 115 ASN . 27103 1 100 116 TYR . 27103 1 101 117 LEU . 27103 1 102 118 ASP . 27103 1 103 119 ALA . 27103 1 104 120 ALA . 27103 1 105 121 ASN . 27103 1 106 122 MET . 27103 1 107 123 SER . 27103 1 108 124 MET . 27103 1 109 125 ARG . 27103 1 110 126 VAL . 27103 1 111 127 ARG . 27103 1 112 128 ARG . 27103 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 . SER 1 1 27103 1 . MET 2 2 27103 1 . ALA 3 3 27103 1 . PRO 4 4 27103 1 . MET 5 5 27103 1 . LYS 6 6 27103 1 . GLU 7 7 27103 1 . ALA 8 8 27103 1 . ASN 9 9 27103 1 . ILE 10 10 27103 1 . ARG 11 11 27103 1 . GLY 12 12 27103 1 . GLN 13 13 27103 1 . GLY 14 14 27103 1 . GLY 15 15 27103 1 . LEU 16 16 27103 1 . ALA 17 17 27103 1 . TYR 18 18 27103 1 . PRO 19 19 27103 1 . GLY 20 20 27103 1 . VAL 21 21 27103 1 . ARG 22 22 27103 1 . THR 23 23 27103 1 . HIS 24 24 27103 1 . GLY 25 25 27103 1 . THR 26 26 27103 1 . LEU 27 27 27103 1 . GLU 28 28 27103 1 . SER 29 29 27103 1 . VAL 30 30 27103 1 . ASN 31 31 27103 1 . GLY 32 32 27103 1 . PRO 33 33 27103 1 . LYS 34 34 27103 1 . ALA 35 35 27103 1 . GLY 36 36 27103 1 . SER 37 37 27103 1 . ARG 38 38 27103 1 . GLY 39 39 27103 1 . LEU 40 40 27103 1 . THR 41 41 27103 1 . SER 42 42 27103 1 . LEU 43 43 27103 1 . ALA 44 44 27103 1 . ASP 45 45 27103 1 . THR 46 46 27103 1 . PHE 47 47 27103 1 . GLU 48 48 27103 1 . HIS 49 49 27103 1 . MET 50 50 27103 1 . ILE 51 51 27103 1 . GLU 52 52 27103 1 . GLU 53 53 27103 1 . LEU 54 54 27103 1 . LEU 55 55 27103 1 . ASP 56 56 27103 1 . GLU 57 57 27103 1 . ASP 58 58 27103 1 . GLN 59 59 27103 1 . LYS 60 60 27103 1 . VAL 61 61 27103 1 . ARG 62 62 27103 1 . PRO 63 63 27103 1 . ASN 64 64 27103 1 . GLU 65 65 27103 1 . GLU 66 66 27103 1 . ASN 67 67 27103 1 . ASN 68 68 27103 1 . LYS 69 69 27103 1 . ASP 70 70 27103 1 . ALA 71 71 27103 1 . ASP 72 72 27103 1 . LEU 73 73 27103 1 . TYR 74 74 27103 1 . THR 75 75 27103 1 . SER 76 76 27103 1 . ARG 77 77 27103 1 . VAL 78 78 27103 1 . MET 79 79 27103 1 . LEU 80 80 27103 1 . SER 81 81 27103 1 . SER 82 82 27103 1 . GLN 83 83 27103 1 . VAL 84 84 27103 1 . PRO 85 85 27103 1 . LEU 86 86 27103 1 . GLU 87 87 27103 1 . PRO 88 88 27103 1 . PRO 89 89 27103 1 . LEU 90 90 27103 1 . LEU 91 91 27103 1 . PHE 92 92 27103 1 . LEU 93 93 27103 1 . LEU 94 94 27103 1 . GLU 95 95 27103 1 . GLU 96 96 27103 1 . TYR 97 97 27103 1 . LYS 98 98 27103 1 . ASN 99 99 27103 1 . TYR 100 100 27103 1 . LEU 101 101 27103 1 . ASP 102 102 27103 1 . ALA 103 103 27103 1 . ALA 104 104 27103 1 . ASN 105 105 27103 1 . MET 106 106 27103 1 . SER 107 107 27103 1 . MET 108 108 27103 1 . ARG 109 109 27103 1 . VAL 110 110 27103 1 . ARG 111 111 27103 1 . ARG 112 112 27103 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 27103 _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 $Met66_BDNF_prodomain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27103 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 27103 _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 $Met66_BDNF_prodomain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28 . . . 27103 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27103 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'Met66 BDNF prodomain' '[U-95% 13C; U-95% 15N]' . . 1 $Met66_BDNF_prodomain . . 0.3 0.1 0.5 mM . . . . 27103 1 2 urea 'natural abundance' . . . . . . 2 . . M . . . . 27103 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27103 1 4 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 27103 1 5 glycine 'natural abundance' . . . . . . 10 . . mM . . . . 27103 1 6 PIPES 'natural abundance' . . . . . . 10 . . mM . . . . 27103 1 7 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 27103 1 8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 27103 1 9 H2O 'natural abundance' . . . . . . 93 . . % . . . . 27103 1 10 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 27103 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 27103 _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' 100 . mM 27103 1 pH 7.2 . pH 27103 1 pressure 1 . atm 27103 1 temperature 278 . K 27103 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27103 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27103 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27103 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27103 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27103 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27103 2 'peak picking' . 27103 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27103 _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 27103 _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 spectrometer_1 Bruker Avance . 900 . . . 27103 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 27103 _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 $spectrometer_1 . . . . . . . . . . . . . . . . . 27103 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27103 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27103 1 4 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27103 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27103 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27103 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27103 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27103 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27103 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27103 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27103 1 2 '3D CBCA(CO)NH' . . . 27103 1 3 '3D HNCO' . . . 27103 1 4 '3D HCACO' . . . 27103 1 5 '3D HNCACB' . . . 27103 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 2 2 MET C C 13 175.415 0.00 . 1 . . . . . 18 MET C . 27103 1 2 . 1 . 1 2 2 MET CA C 13 55.058 0.04 . 1 . . . . . 18 MET CA . 27103 1 3 . 1 . 1 2 2 MET CB C 13 32.959 0.07 . 1 . . . . . 18 MET CB . 27103 1 4 . 1 . 1 3 3 ALA H H 1 8.599 0.00 . 1 . . . . . 19 ALA H . 27103 1 5 . 1 . 1 3 3 ALA C C 13 175.111 0.00 . 1 . . . . . 19 ALA C . 27103 1 6 . 1 . 1 3 3 ALA CA C 13 50.430 0.00 . 1 . . . . . 19 ALA CA . 27103 1 7 . 1 . 1 3 3 ALA CB C 13 17.646 0.00 . 1 . . . . . 19 ALA CB . 27103 1 8 . 1 . 1 3 3 ALA N N 15 127.393 0.02 . 1 . . . . . 19 ALA N . 27103 1 9 . 1 . 1 4 4 PRO C C 13 176.659 0.00 . 1 . . . . . 20 PRO C . 27103 1 10 . 1 . 1 4 4 PRO CA C 13 62.730 0.03 . 1 . . . . . 20 PRO CA . 27103 1 11 . 1 . 1 4 4 PRO CB C 13 31.997 0.10 . 1 . . . . . 20 PRO CB . 27103 1 12 . 1 . 1 5 5 MET H H 1 8.632 0.00 . 1 . . . . . 21 MET H . 27103 1 13 . 1 . 1 5 5 MET C C 13 176.108 0.00 . 1 . . . . . 21 MET C . 27103 1 14 . 1 . 1 5 5 MET CA C 13 55.427 0.02 . 1 . . . . . 21 MET CA . 27103 1 15 . 1 . 1 5 5 MET CB C 13 32.909 0.10 . 1 . . . . . 21 MET CB . 27103 1 16 . 1 . 1 5 5 MET N N 15 121.296 0.02 . 1 . . . . . 21 MET N . 27103 1 17 . 1 . 1 6 6 LYS H H 1 8.566 0.00 . 1 . . . . . 22 LYS H . 27103 1 18 . 1 . 1 6 6 LYS C C 13 176.297 0.00 . 1 . . . . . 22 LYS C . 27103 1 19 . 1 . 1 6 6 LYS CA C 13 56.433 0.03 . 1 . . . . . 22 LYS CA . 27103 1 20 . 1 . 1 6 6 LYS CB C 13 32.937 0.11 . 1 . . . . . 22 LYS CB . 27103 1 21 . 1 . 1 6 6 LYS N N 15 123.496 0.02 . 1 . . . . . 22 LYS N . 27103 1 22 . 1 . 1 7 7 GLU H H 1 8.644 0.00 . 1 . . . . . 23 GLU H . 27103 1 23 . 1 . 1 7 7 GLU C C 13 175.930 0.00 . 1 . . . . . 23 GLU C . 27103 1 24 . 1 . 1 7 7 GLU CA C 13 56.367 0.08 . 1 . . . . . 23 GLU CA . 27103 1 25 . 1 . 1 7 7 GLU CB C 13 30.137 0.06 . 1 . . . . . 23 GLU CB . 27103 1 26 . 1 . 1 7 7 GLU N N 15 122.776 0.03 . 1 . . . . . 23 GLU N . 27103 1 27 . 1 . 1 8 8 ALA H H 1 8.528 0.00 . 1 . . . . . 24 ALA H . 27103 1 28 . 1 . 1 8 8 ALA C C 13 177.212 0.00 . 1 . . . . . 24 ALA C . 27103 1 29 . 1 . 1 8 8 ALA CA C 13 52.454 0.04 . 1 . . . . . 24 ALA CA . 27103 1 30 . 1 . 1 8 8 ALA CB C 13 19.163 0.12 . 1 . . . . . 24 ALA CB . 27103 1 31 . 1 . 1 8 8 ALA N N 15 125.007 0.01 . 1 . . . . . 24 ALA N . 27103 1 32 . 1 . 1 9 9 ASN H H 1 8.552 0.00 . 1 . . . . . 25 ASN H . 27103 1 33 . 1 . 1 9 9 ASN C C 13 175.005 0.00 . 1 . . . . . 25 ASN C . 27103 1 34 . 1 . 1 9 9 ASN CA C 13 52.970 0.09 . 1 . . . . . 25 ASN CA . 27103 1 35 . 1 . 1 9 9 ASN CB C 13 38.609 0.09 . 1 . . . . . 25 ASN CB . 27103 1 36 . 1 . 1 9 9 ASN N N 15 117.950 0.02 . 1 . . . . . 25 ASN N . 27103 1 37 . 1 . 1 10 10 ILE H H 1 8.242 0.00 . 1 . . . . . 26 ILE H . 27103 1 38 . 1 . 1 10 10 ILE C C 13 176.154 0.00 . 1 . . . . . 26 ILE C . 27103 1 39 . 1 . 1 10 10 ILE CA C 13 61.236 0.07 . 1 . . . . . 26 ILE CA . 27103 1 40 . 1 . 1 10 10 ILE CB C 13 38.455 0.01 . 1 . . . . . 26 ILE CB . 27103 1 41 . 1 . 1 10 10 ILE N N 15 121.411 0.04 . 1 . . . . . 26 ILE N . 27103 1 42 . 1 . 1 11 11 ARG H H 1 8.577 0.00 . 1 . . . . . 27 ARG H . 27103 1 43 . 1 . 1 11 11 ARG C C 13 176.688 0.00 . 1 . . . . . 27 ARG C . 27103 1 44 . 1 . 1 11 11 ARG CA C 13 56.275 0.05 . 1 . . . . . 27 ARG CA . 27103 1 45 . 1 . 1 11 11 ARG CB C 13 30.431 0.01 . 1 . . . . . 27 ARG CB . 27103 1 46 . 1 . 1 11 11 ARG N N 15 125.040 0.03 . 1 . . . . . 27 ARG N . 27103 1 47 . 1 . 1 12 12 GLY H H 1 8.526 0.00 . 1 . . . . . 28 GLY H . 27103 1 48 . 1 . 1 12 12 GLY C C 13 173.945 0.00 . 1 . . . . . 28 GLY C . 27103 1 49 . 1 . 1 12 12 GLY CA C 13 45.027 0.06 . 1 . . . . . 28 GLY CA . 27103 1 50 . 1 . 1 12 12 GLY N N 15 110.158 0.05 . 1 . . . . . 28 GLY N . 27103 1 51 . 1 . 1 13 13 GLN H H 1 8.439 0.00 . 1 . . . . . 29 GLN H . 27103 1 52 . 1 . 1 13 13 GLN C C 13 176.462 0.00 . 1 . . . . . 29 GLN C . 27103 1 53 . 1 . 1 13 13 GLN CA C 13 55.810 0.06 . 1 . . . . . 29 GLN CA . 27103 1 54 . 1 . 1 13 13 GLN CB C 13 29.302 0.09 . 1 . . . . . 29 GLN CB . 27103 1 55 . 1 . 1 13 13 GLN N N 15 119.697 0.01 . 1 . . . . . 29 GLN N . 27103 1 56 . 1 . 1 14 14 GLY H H 1 8.671 0.00 . 1 . . . . . 30 GLY H . 27103 1 57 . 1 . 1 14 14 GLY C C 13 174.360 0.01 . 1 . . . . . 30 GLY C . 27103 1 58 . 1 . 1 14 14 GLY CA C 13 45.188 0.07 . 1 . . . . . 30 GLY CA . 27103 1 59 . 1 . 1 14 14 GLY N N 15 110.129 0.04 . 1 . . . . . 30 GLY N . 27103 1 60 . 1 . 1 15 15 GLY H H 1 8.393 0.00 . 1 . . . . . 31 GLY H . 27103 1 61 . 1 . 1 15 15 GLY C C 13 173.785 0.00 . 1 . . . . . 31 GLY C . 27103 1 62 . 1 . 1 15 15 GLY CA C 13 44.937 0.05 . 1 . . . . . 31 GLY CA . 27103 1 63 . 1 . 1 15 15 GLY N N 15 108.556 0.03 . 1 . . . . . 31 GLY N . 27103 1 64 . 1 . 1 16 16 LEU H H 1 8.191 0.00 . 1 . . . . . 32 LEU H . 27103 1 65 . 1 . 1 16 16 LEU C C 13 176.746 0.01 . 1 . . . . . 32 LEU C . 27103 1 66 . 1 . 1 16 16 LEU CA C 13 54.747 0.08 . 1 . . . . . 32 LEU CA . 27103 1 67 . 1 . 1 16 16 LEU CB C 13 38.437 0.00 . 1 . . . . . 32 LEU CB . 27103 1 68 . 1 . 1 16 16 LEU N N 15 121.392 0.03 . 1 . . . . . 32 LEU N . 27103 1 69 . 1 . 1 17 17 ALA H H 1 8.372 0.00 . 1 . . . . . 33 ALA H . 27103 1 70 . 1 . 1 17 17 ALA C C 13 176.738 0.00 . 1 . . . . . 33 ALA C . 27103 1 71 . 1 . 1 17 17 ALA CA C 13 52.034 0.05 . 1 . . . . . 33 ALA CA . 27103 1 72 . 1 . 1 17 17 ALA CB C 13 19.170 0.12 . 1 . . . . . 33 ALA CB . 27103 1 73 . 1 . 1 17 17 ALA N N 15 124.534 0.05 . 1 . . . . . 33 ALA N . 27103 1 74 . 1 . 1 18 18 TYR H H 1 8.276 0.00 . 1 . . . . . 34 TYR H . 27103 1 75 . 1 . 1 18 18 TYR C C 13 173.949 0.00 . 1 . . . . . 34 TYR C . 27103 1 76 . 1 . 1 18 18 TYR CA C 13 55.508 0.00 . 1 . . . . . 34 TYR CA . 27103 1 77 . 1 . 1 18 18 TYR CB C 13 38.065 0.00 . 1 . . . . . 34 TYR CB . 27103 1 78 . 1 . 1 18 18 TYR N N 15 120.509 0.02 . 1 . . . . . 34 TYR N . 27103 1 79 . 1 . 1 19 19 PRO C C 13 176.962 0.00 . 1 . . . . . 35 PRO C . 27103 1 80 . 1 . 1 19 19 PRO CA C 13 63.258 0.04 . 1 . . . . . 35 PRO CA . 27103 1 81 . 1 . 1 19 19 PRO CB C 13 31.872 0.04 . 1 . . . . . 35 PRO CB . 27103 1 82 . 1 . 1 20 20 GLY H H 1 8.115 0.00 . 1 . . . . . 36 GLY H . 27103 1 83 . 1 . 1 20 20 GLY C C 13 173.523 0.00 . 1 . . . . . 36 GLY C . 27103 1 84 . 1 . 1 20 20 GLY CA C 13 44.829 0.07 . 1 . . . . . 36 GLY CA . 27103 1 85 . 1 . 1 20 20 GLY N N 15 108.674 0.03 . 1 . . . . . 36 GLY N . 27103 1 86 . 1 . 1 21 21 VAL H H 1 8.130 0.00 . 1 . . . . . 37 VAL H . 27103 1 87 . 1 . 1 21 21 VAL C C 13 175.967 0.00 . 1 . . . . . 37 VAL C . 27103 1 88 . 1 . 1 21 21 VAL CA C 13 62.132 0.09 . 1 . . . . . 37 VAL CA . 27103 1 89 . 1 . 1 21 21 VAL CB C 13 32.661 0.07 . 1 . . . . . 37 VAL CB . 27103 1 90 . 1 . 1 21 21 VAL N N 15 119.587 0.02 . 1 . . . . . 37 VAL N . 27103 1 91 . 1 . 1 22 22 ARG H H 1 8.671 0.00 . 1 . . . . . 38 ARG H . 27103 1 92 . 1 . 1 22 22 ARG C C 13 176.159 0.00 . 1 . . . . . 38 ARG C . 27103 1 93 . 1 . 1 22 22 ARG CA C 13 55.792 0.06 . 1 . . . . . 38 ARG CA . 27103 1 94 . 1 . 1 22 22 ARG CB C 13 30.726 0.07 . 1 . . . . . 38 ARG CB . 27103 1 95 . 1 . 1 22 22 ARG N N 15 125.565 0.03 . 1 . . . . . 38 ARG N . 27103 1 96 . 1 . 1 23 23 THR H H 1 8.391 0.00 . 1 . . . . . 39 THR H . 27103 1 97 . 1 . 1 23 23 THR C C 13 174.042 0.00 . 1 . . . . . 39 THR C . 27103 1 98 . 1 . 1 23 23 THR CA C 13 61.511 0.08 . 1 . . . . . 39 THR CA . 27103 1 99 . 1 . 1 23 23 THR CB C 13 69.655 0.04 . 1 . . . . . 39 THR CB . 27103 1 100 . 1 . 1 23 23 THR N N 15 116.006 0.03 . 1 . . . . . 39 THR N . 27103 1 101 . 1 . 1 24 24 HIS H H 1 8.505 0.00 . 1 . . . . . 40 HIS H . 27103 1 102 . 1 . 1 24 24 HIS C C 13 175.600 0.00 . 1 . . . . . 40 HIS C . 27103 1 103 . 1 . 1 24 24 HIS CA C 13 56.321 0.04 . 1 . . . . . 40 HIS CA . 27103 1 104 . 1 . 1 24 24 HIS CB C 13 30.874 0.08 . 1 . . . . . 40 HIS CB . 27103 1 105 . 1 . 1 24 24 HIS N N 15 121.918 0.01 . 1 . . . . . 40 HIS N . 27103 1 106 . 1 . 1 25 25 GLY H H 1 8.553 0.01 . 1 . . . . . 41 GLY H . 27103 1 107 . 1 . 1 25 25 GLY C C 13 173.940 0.01 . 1 . . . . . 41 GLY C . 27103 1 108 . 1 . 1 25 25 GLY CA C 13 44.991 0.06 . 1 . . . . . 41 GLY CA . 27103 1 109 . 1 . 1 25 25 GLY N N 15 110.265 0.04 . 1 . . . . . 41 GLY N . 27103 1 110 . 1 . 1 26 26 THR H H 1 8.268 0.00 . 1 . . . . . 42 THR H . 27103 1 111 . 1 . 1 26 26 THR C C 13 174.518 0.00 . 1 . . . . . 42 THR C . 27103 1 112 . 1 . 1 26 26 THR CA C 13 61.694 0.06 . 1 . . . . . 42 THR CA . 27103 1 113 . 1 . 1 26 26 THR CB C 13 69.773 0.05 . 1 . . . . . 42 THR CB . 27103 1 114 . 1 . 1 26 26 THR N N 15 113.959 0.03 . 1 . . . . . 42 THR N . 27103 1 115 . 1 . 1 27 27 LEU H H 1 8.552 0.00 . 1 . . . . . 43 LEU H . 27103 1 116 . 1 . 1 27 27 LEU C C 13 177.210 0.00 . 1 . . . . . 43 LEU C . 27103 1 117 . 1 . 1 27 27 LEU CA C 13 55.052 0.10 . 1 . . . . . 43 LEU CA . 27103 1 118 . 1 . 1 27 27 LEU CB C 13 42.052 0.09 . 1 . . . . . 43 LEU CB . 27103 1 119 . 1 . 1 27 27 LEU N N 15 124.647 0.02 . 1 . . . . . 43 LEU N . 27103 1 120 . 1 . 1 28 28 GLU H H 1 8.569 0.00 . 1 . . . . . 44 GLU H . 27103 1 121 . 1 . 1 28 28 GLU C C 13 176.344 0.00 . 1 . . . . . 44 GLU C . 27103 1 122 . 1 . 1 28 28 GLU CA C 13 56.538 0.06 . 1 . . . . . 44 GLU CA . 27103 1 123 . 1 . 1 28 28 GLU CB C 13 30.114 0.07 . 1 . . . . . 44 GLU CB . 27103 1 124 . 1 . 1 28 28 GLU N N 15 121.879 0.05 . 1 . . . . . 44 GLU N . 27103 1 125 . 1 . 1 29 29 SER H H 1 8.487 0.00 . 1 . . . . . 45 SER H . 27103 1 126 . 1 . 1 29 29 SER C C 13 174.662 0.01 . 1 . . . . . 45 SER C . 27103 1 127 . 1 . 1 29 29 SER CA C 13 58.055 0.07 . 1 . . . . . 45 SER CA . 27103 1 128 . 1 . 1 29 29 SER CB C 13 63.518 0.10 . 1 . . . . . 45 SER CB . 27103 1 129 . 1 . 1 29 29 SER N N 15 117.002 0.03 . 1 . . . . . 45 SER N . 27103 1 130 . 1 . 1 30 30 VAL H H 1 8.322 0.00 . 1 . . . . . 46 VAL H . 27103 1 131 . 1 . 1 30 30 VAL C C 13 175.780 0.00 . 1 . . . . . 46 VAL C . 27103 1 132 . 1 . 1 30 30 VAL CA C 13 62.518 0.02 . 1 . . . . . 46 VAL CA . 27103 1 133 . 1 . 1 30 30 VAL CB C 13 32.401 0.04 . 1 . . . . . 46 VAL CB . 27103 1 134 . 1 . 1 30 30 VAL N N 15 121.672 0.03 . 1 . . . . . 46 VAL N . 27103 1 135 . 1 . 1 31 31 ASN H H 1 8.553 0.00 . 1 . . . . . 47 ASN H . 27103 1 136 . 1 . 1 31 31 ASN C C 13 175.014 0.00 . 1 . . . . . 47 ASN C . 27103 1 137 . 1 . 1 31 31 ASN CA C 13 52.964 0.01 . 1 . . . . . 47 ASN CA . 27103 1 138 . 1 . 1 31 31 ASN CB C 13 39.026 0.10 . 1 . . . . . 47 ASN CB . 27103 1 139 . 1 . 1 31 31 ASN N N 15 121.074 0.03 . 1 . . . . . 47 ASN N . 27103 1 140 . 1 . 1 32 32 GLY H H 1 8.203 0.00 . 1 . . . . . 48 GLY H . 27103 1 141 . 1 . 1 32 32 GLY C C 13 177.266 0.00 . 1 . . . . . 48 GLY C . 27103 1 142 . 1 . 1 32 32 GLY CA C 13 44.448 0.00 . 1 . . . . . 48 GLY CA . 27103 1 143 . 1 . 1 32 32 GLY N N 15 109.086 0.02 . 1 . . . . . 48 GLY N . 27103 1 144 . 1 . 1 33 33 PRO C C 13 176.997 0.00 . 1 . . . . . 49 PRO C . 27103 1 145 . 1 . 1 33 33 PRO CA C 13 62.930 0.08 . 1 . . . . . 49 PRO CA . 27103 1 146 . 1 . 1 33 33 PRO CB C 13 32.165 0.00 . 1 . . . . . 49 PRO CB . 27103 1 147 . 1 . 1 34 34 LYS H H 1 8.632 0.00 . 1 . . . . . 50 LYS H . 27103 1 148 . 1 . 1 34 34 LYS C C 13 176.436 0.01 . 1 . . . . . 50 LYS C . 27103 1 149 . 1 . 1 34 34 LYS CA C 13 56.017 0.06 . 1 . . . . . 50 LYS CA . 27103 1 150 . 1 . 1 34 34 LYS CB C 13 32.874 0.10 . 1 . . . . . 50 LYS CB . 27103 1 151 . 1 . 1 34 34 LYS N N 15 121.915 0.03 . 1 . . . . . 50 LYS N . 27103 1 152 . 1 . 1 35 35 ALA H H 1 8.557 0.00 . 1 . . . . . 51 ALA H . 27103 1 153 . 1 . 1 35 35 ALA C C 13 178.089 0.01 . 1 . . . . . 51 ALA C . 27103 1 154 . 1 . 1 35 35 ALA CA C 13 52.642 0.01 . 1 . . . . . 51 ALA CA . 27103 1 155 . 1 . 1 35 35 ALA CB C 13 18.991 0.08 . 1 . . . . . 51 ALA CB . 27103 1 156 . 1 . 1 35 35 ALA N N 15 125.766 0.04 . 1 . . . . . 51 ALA N . 27103 1 157 . 1 . 1 36 36 GLY H H 1 8.566 0.00 . 1 . . . . . 52 GLY H . 27103 1 158 . 1 . 1 36 36 GLY C C 13 174.069 0.00 . 1 . . . . . 52 GLY C . 27103 1 159 . 1 . 1 36 36 GLY CA C 13 44.970 0.06 . 1 . . . . . 52 GLY CA . 27103 1 160 . 1 . 1 36 36 GLY N N 15 108.626 0.02 . 1 . . . . . 52 GLY N . 27103 1 161 . 1 . 1 37 37 SER H H 1 8.339 0.00 . 1 . . . . . 53 SER H . 27103 1 162 . 1 . 1 37 37 SER C C 13 174.594 0.00 . 1 . . . . . 53 SER C . 27103 1 163 . 1 . 1 37 37 SER CA C 13 58.362 0.03 . 1 . . . . . 53 SER CA . 27103 1 164 . 1 . 1 37 37 SER CB C 13 63.814 0.05 . 1 . . . . . 53 SER CB . 27103 1 165 . 1 . 1 37 37 SER N N 15 115.564 0.02 . 1 . . . . . 53 SER N . 27103 1 166 . 1 . 1 38 38 ARG H H 1 8.636 0.00 . 1 . . . . . 54 ARG H . 27103 1 167 . 1 . 1 38 38 ARG C C 13 176.547 0.00 . 1 . . . . . 54 ARG C . 27103 1 168 . 1 . 1 38 38 ARG CA C 13 56.242 0.04 . 1 . . . . . 54 ARG CA . 27103 1 169 . 1 . 1 38 38 ARG CB C 13 30.497 0.09 . 1 . . . . . 54 ARG CB . 27103 1 170 . 1 . 1 38 38 ARG N N 15 122.832 0.04 . 1 . . . . . 54 ARG N . 27103 1 171 . 1 . 1 39 39 GLY H H 1 8.515 0.00 . 1 . . . . . 55 GLY H . 27103 1 172 . 1 . 1 39 39 GLY C C 13 173.770 0.00 . 1 . . . . . 55 GLY C . 27103 1 173 . 1 . 1 39 39 GLY CA C 13 44.948 0.06 . 1 . . . . . 55 GLY CA . 27103 1 174 . 1 . 1 39 39 GLY N N 15 109.623 0.07 . 1 . . . . . 55 GLY N . 27103 1 175 . 1 . 1 40 40 LEU H H 1 8.333 0.00 . 1 . . . . . 56 LEU H . 27103 1 176 . 1 . 1 40 40 LEU C C 13 177.652 0.01 . 1 . . . . . 56 LEU C . 27103 1 177 . 1 . 1 40 40 LEU CA C 13 55.115 0.08 . 1 . . . . . 56 LEU CA . 27103 1 178 . 1 . 1 40 40 LEU CB C 13 42.220 0.07 . 1 . . . . . 56 LEU CB . 27103 1 179 . 1 . 1 40 40 LEU N N 15 121.534 0.03 . 1 . . . . . 56 LEU N . 27103 1 180 . 1 . 1 41 41 THR H H 1 8.337 0.00 . 1 . . . . . 57 THR H . 27103 1 181 . 1 . 1 41 41 THR C C 13 174.238 0.00 . 1 . . . . . 57 THR C . 27103 1 182 . 1 . 1 41 41 THR CA C 13 61.610 0.03 . 1 . . . . . 57 THR CA . 27103 1 183 . 1 . 1 41 41 THR CB C 13 69.719 0.02 . 1 . . . . . 57 THR CB . 27103 1 184 . 1 . 1 41 41 THR N N 15 114.634 0.04 . 1 . . . . . 57 THR N . 27103 1 185 . 1 . 1 42 42 SER H H 1 8.492 0.00 . 1 . . . . . 58 SER H . 27103 1 186 . 1 . 1 42 42 SER C C 13 174.399 0.01 . 1 . . . . . 58 SER C . 27103 1 187 . 1 . 1 42 42 SER CA C 13 57.919 0.02 . 1 . . . . . 58 SER CA . 27103 1 188 . 1 . 1 42 42 SER CB C 13 63.734 0.09 . 1 . . . . . 58 SER CB . 27103 1 189 . 1 . 1 42 42 SER N N 15 118.165 0.02 . 1 . . . . . 58 SER N . 27103 1 190 . 1 . 1 43 43 LEU H H 1 8.488 0.00 . 1 . . . . . 59 LEU H . 27103 1 191 . 1 . 1 43 43 LEU C C 13 177.086 0.02 . 1 . . . . . 59 LEU C . 27103 1 192 . 1 . 1 43 43 LEU CA C 13 55.125 0.04 . 1 . . . . . 59 LEU CA . 27103 1 193 . 1 . 1 43 43 LEU CB C 13 42.274 0.05 . 1 . . . . . 59 LEU CB . 27103 1 194 . 1 . 1 43 43 LEU N N 15 124.465 0.02 . 1 . . . . . 59 LEU N . 27103 1 195 . 1 . 1 44 44 ALA H H 1 8.342 0.00 . 1 . . . . . 60 ALA H . 27103 1 196 . 1 . 1 44 44 ALA C C 13 177.366 0.00 . 1 . . . . . 60 ALA C . 27103 1 197 . 1 . 1 44 44 ALA CA C 13 52.529 0.04 . 1 . . . . . 60 ALA CA . 27103 1 198 . 1 . 1 44 44 ALA CB C 13 19.055 0.09 . 1 . . . . . 60 ALA CB . 27103 1 199 . 1 . 1 44 44 ALA N N 15 123.809 0.06 . 1 . . . . . 60 ALA N . 27103 1 200 . 1 . 1 45 45 ASP H H 1 8.310 0.00 . 1 . . . . . 61 ASP H . 27103 1 201 . 1 . 1 45 45 ASP C C 13 176.153 0.00 . 1 . . . . . 61 ASP C . 27103 1 202 . 1 . 1 45 45 ASP CA C 13 54.318 0.01 . 1 . . . . . 61 ASP CA . 27103 1 203 . 1 . 1 45 45 ASP CB C 13 40.971 0.07 . 1 . . . . . 61 ASP CB . 27103 1 204 . 1 . 1 45 45 ASP N N 15 119.287 0.01 . 1 . . . . . 61 ASP N . 27103 1 205 . 1 . 1 46 46 THR H H 1 8.035 0.00 . 1 . . . . . 62 THR H . 27103 1 206 . 1 . 1 46 46 THR C C 13 174.063 0.00 . 1 . . . . . 62 THR C . 27103 1 207 . 1 . 1 46 46 THR CA C 13 61.642 0.05 . 1 . . . . . 62 THR CA . 27103 1 208 . 1 . 1 46 46 THR CB C 13 69.652 0.03 . 1 . . . . . 62 THR CB . 27103 1 209 . 1 . 1 46 46 THR N N 15 113.161 0.03 . 1 . . . . . 62 THR N . 27103 1 210 . 1 . 1 47 47 PHE H H 1 8.307 0.00 . 1 . . . . . 63 PHE H . 27103 1 211 . 1 . 1 47 47 PHE C C 13 175.418 0.00 . 1 . . . . . 63 PHE C . 27103 1 212 . 1 . 1 47 47 PHE CA C 13 55.996 0.00 . 1 . . . . . 63 PHE CA . 27103 1 213 . 1 . 1 47 47 PHE CB C 13 39.348 0.00 . 1 . . . . . 63 PHE CB . 27103 1 214 . 1 . 1 47 47 PHE N N 15 121.833 0.01 . 1 . . . . . 63 PHE N . 27103 1 215 . 1 . 1 48 48 GLU H H 1 8.402 0.02 . 1 . . . . . 64 GLU H . 27103 1 216 . 1 . 1 48 48 GLU C C 13 175.684 0.00 . 1 . . . . . 64 GLU C . 27103 1 217 . 1 . 1 48 48 GLU CA C 13 56.630 0.01 . 1 . . . . . 64 GLU CA . 27103 1 218 . 1 . 1 48 48 GLU CB C 13 30.198 0.04 . 1 . . . . . 64 GLU CB . 27103 1 219 . 1 . 1 48 48 GLU N N 15 122.090 0.04 . 1 . . . . . 64 GLU N . 27103 1 220 . 1 . 1 49 49 HIS H H 1 8.403 0.00 . 1 . . . . . 65 HIS H . 27103 1 221 . 1 . 1 49 49 HIS C C 13 174.803 0.00 . 1 . . . . . 65 HIS C . 27103 1 222 . 1 . 1 49 49 HIS CA C 13 55.980 0.06 . 1 . . . . . 65 HIS CA . 27103 1 223 . 1 . 1 49 49 HIS CB C 13 30.314 0.07 . 1 . . . . . 65 HIS CB . 27103 1 224 . 1 . 1 49 49 HIS N N 15 120.226 0.03 . 1 . . . . . 65 HIS N . 27103 1 225 . 1 . 1 50 50 MET H H 1 8.467 0.00 . 1 . . . . . 66 MET H . 27103 1 226 . 1 . 1 50 50 MET C C 13 175.730 0.00 . 1 . . . . . 66 MET C . 27103 1 227 . 1 . 1 50 50 MET CA C 13 55.373 0.05 . 1 . . . . . 66 MET CA . 27103 1 228 . 1 . 1 50 50 MET CB C 13 32.669 0.08 . 1 . . . . . 66 MET CB . 27103 1 229 . 1 . 1 50 50 MET N N 15 122.389 0.01 . 1 . . . . . 66 MET N . 27103 1 230 . 1 . 1 51 51 ILE H H 1 8.380 0.00 . 1 . . . . . 67 ILE H . 27103 1 231 . 1 . 1 51 51 ILE C C 13 175.955 0.00 . 1 . . . . . 67 ILE C . 27103 1 232 . 1 . 1 51 51 ILE CA C 13 61.113 0.10 . 1 . . . . . 67 ILE CA . 27103 1 233 . 1 . 1 51 51 ILE CB C 13 38.408 0.00 . 1 . . . . . 67 ILE CB . 27103 1 234 . 1 . 1 51 51 ILE N N 15 122.869 0.01 . 1 . . . . . 67 ILE N . 27103 1 235 . 1 . 1 52 52 GLU H H 1 8.610 0.00 . 1 . . . . . 68 GLU H . 27103 1 236 . 1 . 1 52 52 GLU C C 13 175.961 0.01 . 1 . . . . . 68 GLU C . 27103 1 237 . 1 . 1 52 52 GLU CA C 13 56.458 0.10 . 1 . . . . . 68 GLU CA . 27103 1 238 . 1 . 1 52 52 GLU CB C 13 30.261 0.14 . 1 . . . . . 68 GLU CB . 27103 1 239 . 1 . 1 52 52 GLU N N 15 125.553 0.03 . 1 . . . . . 68 GLU N . 27103 1 240 . 1 . 1 53 53 GLU H H 1 8.558 0.00 . 1 . . . . . 69 GLU H . 27103 1 241 . 1 . 1 53 53 GLU C C 13 175.833 0.00 . 1 . . . . . 69 GLU C . 27103 1 242 . 1 . 1 53 53 GLU CA C 13 56.327 0.08 . 1 . . . . . 69 GLU CA . 27103 1 243 . 1 . 1 53 53 GLU CB C 13 30.389 0.06 . 1 . . . . . 69 GLU CB . 27103 1 244 . 1 . 1 53 53 GLU N N 15 122.771 0.02 . 1 . . . . . 69 GLU N . 27103 1 245 . 1 . 1 54 54 LEU H H 1 8.474 0.00 . 1 . . . . . 70 LEU H . 27103 1 246 . 1 . 1 54 54 LEU C C 13 176.839 0.01 . 1 . . . . . 70 LEU C . 27103 1 247 . 1 . 1 54 54 LEU CA C 13 56.228 0.00 . 1 . . . . . 70 LEU CA . 27103 1 248 . 1 . 1 54 54 LEU CB C 13 42.102 0.00 . 1 . . . . . 70 LEU CB . 27103 1 249 . 1 . 1 54 54 LEU N N 15 124.143 0.03 . 1 . . . . . 70 LEU N . 27103 1 250 . 1 . 1 55 55 LEU H H 1 8.475 0.00 . 1 . . . . . 71 LEU H . 27103 1 251 . 1 . 1 55 55 LEU C C 13 176.927 0.01 . 1 . . . . . 71 LEU C . 27103 1 252 . 1 . 1 55 55 LEU CA C 13 56.371 0.08 . 1 . . . . . 71 LEU CA . 27103 1 253 . 1 . 1 55 55 LEU CB C 13 42.37 0.03 . 1 . . . . . 71 LEU CB . 27103 1 254 . 1 . 1 55 55 LEU N N 15 123.937 0.00 . 1 . . . . . 71 LEU N . 27103 1 255 . 1 . 1 56 56 ASP H H 1 8.535 0.01 . 1 . . . . . 72 ASP H . 27103 1 256 . 1 . 1 56 56 ASP C C 13 176.508 0.01 . 1 . . . . . 72 ASP C . 27103 1 257 . 1 . 1 56 56 ASP CA C 13 54.166 0.01 . 1 . . . . . 72 ASP CA . 27103 1 258 . 1 . 1 56 56 ASP CB C 13 41.027 0.08 . 1 . . . . . 72 ASP CB . 27103 1 259 . 1 . 1 56 56 ASP N N 15 121.817 0.06 . 1 . . . . . 72 ASP N . 27103 1 260 . 1 . 1 57 57 GLU H H 1 8.623 0.00 . 1 . . . . . 73 GLU H . 27103 1 261 . 1 . 1 57 57 GLU C C 13 176.505 0.00 . 1 . . . . . 73 GLU C . 27103 1 262 . 1 . 1 57 57 GLU CA C 13 57.109 0.09 . 1 . . . . . 73 GLU CA . 27103 1 263 . 1 . 1 57 57 GLU CB C 13 30.077 0.06 . 1 . . . . . 73 GLU CB . 27103 1 264 . 1 . 1 57 57 GLU N N 15 121.389 0.02 . 1 . . . . . 73 GLU N . 27103 1 265 . 1 . 1 58 58 ASP H H 1 8.496 0.00 . 1 . . . . . 74 ASP H . 27103 1 266 . 1 . 1 58 58 ASP C C 13 176.210 0.08 . 1 . . . . . 74 ASP C . 27103 1 267 . 1 . 1 58 58 ASP CA C 13 54.609 0.06 . 1 . . . . . 74 ASP CA . 27103 1 268 . 1 . 1 58 58 ASP CB C 13 40.781 0.07 . 1 . . . . . 74 ASP CB . 27103 1 269 . 1 . 1 58 58 ASP N N 15 120.193 0.01 . 1 . . . . . 74 ASP N . 27103 1 270 . 1 . 1 59 59 GLN H H 1 8.262 0.00 . 1 . . . . . 75 GLN H . 27103 1 271 . 1 . 1 59 59 GLN C C 13 175.887 0.08 . 1 . . . . . 75 GLN C . 27103 1 272 . 1 . 1 59 59 GLN CA C 13 55.820 0.01 . 1 . . . . . 75 GLN CA . 27103 1 273 . 1 . 1 59 59 GLN CB C 13 28.927 0.00 . 1 . . . . . 75 GLN CB . 27103 1 274 . 1 . 1 59 59 GLN N N 15 119.643 0.03 . 1 . . . . . 75 GLN N . 27103 1 275 . 1 . 1 60 60 LYS H H 1 8.266 0.00 . 1 . . . . . 76 LYS H . 27103 1 276 . 1 . 1 60 60 LYS C C 13 176.008 0.37 . 1 . . . . . 76 LYS C . 27103 1 277 . 1 . 1 60 60 LYS CA C 13 58.002 0.00 . 1 . . . . . 76 LYS CA . 27103 1 278 . 1 . 1 60 60 LYS CB C 13 32.496 0.00 . 1 . . . . . 76 LYS CB . 27103 1 279 . 1 . 1 60 60 LYS N N 15 121.783 0.06 . 1 . . . . . 76 LYS N . 27103 1 280 . 1 . 1 61 61 VAL H H 1 8.259 0.00 . 1 . . . . . 77 VAL H . 27103 1 281 . 1 . 1 61 61 VAL C C 13 175.780 0.00 . 1 . . . . . 77 VAL C . 27103 1 282 . 1 . 1 61 61 VAL CA C 13 62.157 0.04 . 1 . . . . . 77 VAL CA . 27103 1 283 . 1 . 1 61 61 VAL CB C 13 32.466 0.08 . 1 . . . . . 77 VAL CB . 27103 1 284 . 1 . 1 61 61 VAL N N 15 121.275 0.02 . 1 . . . . . 77 VAL N . 27103 1 285 . 1 . 1 62 62 ARG H H 1 8.654 0.00 . 1 . . . . . 78 ARG H . 27103 1 286 . 1 . 1 62 62 ARG C C 13 173.948 0.00 . 1 . . . . . 78 ARG C . 27103 1 287 . 1 . 1 62 62 ARG CA C 13 53.686 0.00 . 1 . . . . . 78 ARG CA . 27103 1 288 . 1 . 1 62 62 ARG CB C 13 29.878 0.00 . 1 . . . . . 78 ARG CB . 27103 1 289 . 1 . 1 62 62 ARG N N 15 126.930 0.02 . 1 . . . . . 78 ARG N . 27103 1 290 . 1 . 1 63 63 PRO C C 13 176.396 0.00 . 1 . . . . . 79 PRO C . 27103 1 291 . 1 . 1 63 63 PRO CA C 13 62.922 0.03 . 1 . . . . . 79 PRO CA . 27103 1 292 . 1 . 1 63 63 PRO CB C 13 32.069 0.05 . 1 . . . . . 79 PRO CB . 27103 1 293 . 1 . 1 64 64 ASN H H 1 8.738 0.00 . 1 . . . . . 80 ASN H . 27103 1 294 . 1 . 1 64 64 ASN C C 13 175.252 0.00 . 1 . . . . . 80 ASN C . 27103 1 295 . 1 . 1 64 64 ASN CA C 13 53.325 0.02 . 1 . . . . . 80 ASN CA . 27103 1 296 . 1 . 1 64 64 ASN CB C 13 38.535 0.09 . 1 . . . . . 80 ASN CB . 27103 1 297 . 1 . 1 64 64 ASN N N 15 119.098 0.03 . 1 . . . . . 80 ASN N . 27103 1 298 . 1 . 1 65 65 GLU H H 1 8.582 0.00 . 1 . . . . . 81 GLU H . 27103 1 299 . 1 . 1 65 65 GLU C C 13 176.309 0.01 . 1 . . . . . 81 GLU C . 27103 1 300 . 1 . 1 65 65 GLU CA C 13 56.501 0.03 . 1 . . . . . 81 GLU CA . 27103 1 301 . 1 . 1 65 65 GLU CB C 13 30.125 0.10 . 1 . . . . . 81 GLU CB . 27103 1 302 . 1 . 1 65 65 GLU N N 15 121.481 0.03 . 1 . . . . . 81 GLU N . 27103 1 303 . 1 . 1 66 66 GLU H H 1 8.537 0.00 . 1 . . . . . 82 GLU H . 27103 1 304 . 1 . 1 66 66 GLU C C 13 176.092 0.00 . 1 . . . . . 82 GLU C . 27103 1 305 . 1 . 1 66 66 GLU CA C 13 56.579 0.09 . 1 . . . . . 82 GLU CA . 27103 1 306 . 1 . 1 66 66 GLU CB C 13 29.963 0.07 . 1 . . . . . 82 GLU CB . 27103 1 307 . 1 . 1 66 66 GLU N N 15 121.372 0.01 . 1 . . . . . 82 GLU N . 27103 1 308 . 1 . 1 67 67 ASN H H 1 8.550 0.00 . 1 . . . . . 83 ASN H . 27103 1 309 . 1 . 1 67 67 ASN C C 13 174.714 0.00 . 1 . . . . . 83 ASN C . 27103 1 310 . 1 . 1 67 67 ASN CA C 13 53.087 0.02 . 1 . . . . . 83 ASN CA . 27103 1 311 . 1 . 1 67 67 ASN CB C 13 38.727 0.11 . 1 . . . . . 83 ASN CB . 27103 1 312 . 1 . 1 67 67 ASN N N 15 119.270 0.02 . 1 . . . . . 83 ASN N . 27103 1 313 . 1 . 1 68 68 ASN H H 1 8.516 0.00 . 1 . . . . . 84 ASN H . 27103 1 314 . 1 . 1 68 68 ASN C C 13 175.336 0.01 . 1 . . . . . 84 ASN C . 27103 1 315 . 1 . 1 68 68 ASN CA C 13 53.103 0.02 . 1 . . . . . 84 ASN CA . 27103 1 316 . 1 . 1 68 68 ASN CB C 13 38.560 0.07 . 1 . . . . . 84 ASN CB . 27103 1 317 . 1 . 1 68 68 ASN N N 15 119.548 0.02 . 1 . . . . . 84 ASN N . 27103 1 318 . 1 . 1 69 69 LYS H H 1 8.462 0.00 . 1 . . . . . 85 LYS H . 27103 1 319 . 1 . 1 69 69 LYS C C 13 176.434 0.00 . 1 . . . . . 85 LYS C . 27103 1 320 . 1 . 1 69 69 LYS CA C 13 56.793 0.04 . 1 . . . . . 85 LYS CA . 27103 1 321 . 1 . 1 69 69 LYS CB C 13 32.608 0.09 . 1 . . . . . 85 LYS CB . 27103 1 322 . 1 . 1 69 69 LYS N N 15 122.008 0.08 . 1 . . . . . 85 LYS N . 27103 1 323 . 1 . 1 70 70 ASP H H 1 8.446 0.00 . 1 . . . . . 86 ASP H . 27103 1 324 . 1 . 1 70 70 ASP C C 13 176.101 0.00 . 1 . . . . . 86 ASP C . 27103 1 325 . 1 . 1 70 70 ASP CA C 13 54.588 0.05 . 1 . . . . . 86 ASP CA . 27103 1 326 . 1 . 1 70 70 ASP CB C 13 40.729 0.09 . 1 . . . . . 86 ASP CB . 27103 1 327 . 1 . 1 70 70 ASP N N 15 120.768 0.04 . 1 . . . . . 86 ASP N . 27103 1 328 . 1 . 1 71 71 ALA H H 1 8.197 0.00 . 1 . . . . . 87 ALA H . 27103 1 329 . 1 . 1 71 71 ALA C C 13 177.672 0.00 . 1 . . . . . 87 ALA C . 27103 1 330 . 1 . 1 71 71 ALA CA C 13 53.065 0.07 . 1 . . . . . 87 ALA CA . 27103 1 331 . 1 . 1 71 71 ALA CB C 13 18.974 0.08 . 1 . . . . . 87 ALA CB . 27103 1 332 . 1 . 1 71 71 ALA N N 15 123.666 0.01 . 1 . . . . . 87 ALA N . 27103 1 333 . 1 . 1 72 72 ASP H H 1 8.396 0.00 . 1 . . . . . 88 ASP H . 27103 1 334 . 1 . 1 72 72 ASP C C 13 176.338 0.00 . 1 . . . . . 88 ASP C . 27103 1 335 . 1 . 1 72 72 ASP CA C 13 54.428 0.03 . 1 . . . . . 88 ASP CA . 27103 1 336 . 1 . 1 72 72 ASP CB C 13 40.758 0.08 . 1 . . . . . 88 ASP CB . 27103 1 337 . 1 . 1 72 72 ASP N N 15 118.722 0.02 . 1 . . . . . 88 ASP N . 27103 1 338 . 1 . 1 73 73 LEU H H 1 8.068 0.00 . 1 . . . . . 89 LEU H . 27103 1 339 . 1 . 1 73 73 LEU C C 13 177.348 0.01 . 1 . . . . . 89 LEU C . 27103 1 340 . 1 . 1 73 73 LEU CA C 13 54.606 0.02 . 1 . . . . . 89 LEU CA . 27103 1 341 . 1 . 1 73 73 LEU CB C 13 40.731 0.05 . 1 . . . . . 89 LEU CB . 27103 1 342 . 1 . 1 73 73 LEU N N 15 121.644 0.03 . 1 . . . . . 89 LEU N . 27103 1 343 . 1 . 1 74 74 TYR H H 1 8.259 0.01 . 1 . . . . . 90 TYR H . 27103 1 344 . 1 . 1 74 74 TYR C C 13 176.091 0.00 . 1 . . . . . 90 TYR C . 27103 1 345 . 1 . 1 74 74 TYR CA C 13 58.176 0.02 . 1 . . . . . 90 TYR CA . 27103 1 346 . 1 . 1 74 74 TYR CB C 13 38.373 0.08 . 1 . . . . . 90 TYR CB . 27103 1 347 . 1 . 1 74 74 TYR N N 15 119.580 0.09 . 1 . . . . . 90 TYR N . 27103 1 348 . 1 . 1 75 75 THR H H 1 8.013 0.00 . 1 . . . . . 91 THR H . 27103 1 349 . 1 . 1 75 75 THR C C 13 174.283 0.02 . 1 . . . . . 91 THR C . 27103 1 350 . 1 . 1 75 75 THR CA C 13 62.008 0.06 . 1 . . . . . 91 THR CA . 27103 1 351 . 1 . 1 75 75 THR CB C 13 69.530 0.04 . 1 . . . . . 91 THR CB . 27103 1 352 . 1 . 1 75 75 THR N N 15 115.175 0.02 . 1 . . . . . 91 THR N . 27103 1 353 . 1 . 1 76 76 SER H H 1 8.355 0.00 . 1 . . . . . 92 SER H . 27103 1 354 . 1 . 1 76 76 SER C C 13 174.361 0.03 . 1 . . . . . 92 SER C . 27103 1 355 . 1 . 1 76 76 SER CA C 13 58.451 0.02 . 1 . . . . . 92 SER CA . 27103 1 356 . 1 . 1 76 76 SER CB C 13 63.466 0.09 . 1 . . . . . 92 SER CB . 27103 1 357 . 1 . 1 76 76 SER N N 15 117.965 0.04 . 1 . . . . . 92 SER N . 27103 1 358 . 1 . 1 77 77 ARG H H 1 8.397 0.00 . 1 . . . . . 93 ARG H . 27103 1 359 . 1 . 1 77 77 ARG C C 13 176.068 0.00 . 1 . . . . . 93 ARG C . 27103 1 360 . 1 . 1 77 77 ARG CA C 13 56.099 0.00 . 1 . . . . . 93 ARG CA . 27103 1 361 . 1 . 1 77 77 ARG CB C 13 30.590 0.00 . 1 . . . . . 93 ARG CB . 27103 1 362 . 1 . 1 77 77 ARG N N 15 123.164 0.02 . 1 . . . . . 93 ARG N . 27103 1 363 . 1 . 1 78 78 VAL H H 1 8.253 0.00 . 1 . . . . . 94 VAL H . 27103 1 364 . 1 . 1 78 78 VAL C C 13 175.958 0.00 . 1 . . . . . 94 VAL C . 27103 1 365 . 1 . 1 78 78 VAL CA C 13 62.432 0.05 . 1 . . . . . 94 VAL CA . 27103 1 366 . 1 . 1 78 78 VAL CB C 13 32.517 0.06 . 1 . . . . . 94 VAL CB . 27103 1 367 . 1 . 1 78 78 VAL N N 15 121.669 0.05 . 1 . . . . . 94 VAL N . 27103 1 368 . 1 . 1 79 79 MET H H 1 8.580 0.00 . 1 . . . . . 95 MET H . 27103 1 369 . 1 . 1 79 79 MET C C 13 175.967 0.00 . 1 . . . . . 95 MET C . 27103 1 370 . 1 . 1 79 79 MET CA C 13 54.950 0.10 . 1 . . . . . 95 MET CA . 27103 1 371 . 1 . 1 79 79 MET CB C 13 32.480 0.03 . 1 . . . . . 95 MET CB . 27103 1 372 . 1 . 1 79 79 MET N N 15 124.809 0.02 . 1 . . . . . 95 MET N . 27103 1 373 . 1 . 1 80 80 LEU H H 1 8.482 0.00 . 1 . . . . . 96 LEU H . 27103 1 374 . 1 . 1 80 80 LEU CA C 13 54.983 0.10 . 1 . . . . . 96 LEU CA . 27103 1 375 . 1 . 1 80 80 LEU CB C 13 42.043 0.00 . 1 . . . . . 96 LEU CB . 27103 1 376 . 1 . 1 80 80 LEU N N 15 124.220 0.04 . 1 . . . . . 96 LEU N . 27103 1 377 . 1 . 1 81 81 SER H H 1 8.513 0.00 . 1 . . . . . 97 SER H . 27103 1 378 . 1 . 1 81 81 SER C C 13 174.438 0.00 . 1 . . . . . 97 SER C . 27103 1 379 . 1 . 1 81 81 SER CA C 13 58.293 0.01 . 1 . . . . . 97 SER CA . 27103 1 380 . 1 . 1 81 81 SER CB C 13 63.572 0.07 . 1 . . . . . 97 SER CB . 27103 1 381 . 1 . 1 81 81 SER N N 15 116.647 0.06 . 1 . . . . . 97 SER N . 27103 1 382 . 1 . 1 82 82 SER H H 1 8.434 0.00 . 1 . . . . . 98 SER H . 27103 1 383 . 1 . 1 82 82 SER C C 13 174.209 0.00 . 1 . . . . . 98 SER C . 27103 1 384 . 1 . 1 82 82 SER CA C 13 58.241 0.02 . 1 . . . . . 98 SER CA . 27103 1 385 . 1 . 1 82 82 SER CB C 13 63.515 0.08 . 1 . . . . . 98 SER CB . 27103 1 386 . 1 . 1 82 82 SER N N 15 117.365 0.03 . 1 . . . . . 98 SER N . 27103 1 387 . 1 . 1 83 83 GLN H H 1 8.456 0.00 . 1 . . . . . 99 GLN H . 27103 1 388 . 1 . 1 83 83 GLN C C 13 175.472 0.00 . 1 . . . . . 99 GLN C . 27103 1 389 . 1 . 1 83 83 GLN CA C 13 55.490 0.03 . 1 . . . . . 99 GLN CA . 27103 1 390 . 1 . 1 83 83 GLN CB C 13 29.379 0.08 . 1 . . . . . 99 GLN CB . 27103 1 391 . 1 . 1 83 83 GLN N N 15 122.094 0.05 . 1 . . . . . 99 GLN N . 27103 1 392 . 1 . 1 84 84 VAL H H 1 8.269 0.00 . 1 . . . . . 100 VAL H . 27103 1 393 . 1 . 1 84 84 VAL C C 13 174.127 0.00 . 1 . . . . . 100 VAL C . 27103 1 394 . 1 . 1 84 84 VAL CA C 13 59.898 0.00 . 1 . . . . . 100 VAL CA . 27103 1 395 . 1 . 1 84 84 VAL CB C 13 32.291 0.00 . 1 . . . . . 100 VAL CB . 27103 1 396 . 1 . 1 84 84 VAL N N 15 123.109 0.01 . 1 . . . . . 100 VAL N . 27103 1 397 . 1 . 1 85 85 PRO C C 13 177.155 0.00 . 1 . . . . . 101 PRO C . 27103 1 398 . 1 . 1 85 85 PRO CA C 13 62.812 0.03 . 1 . . . . . 101 PRO CA . 27103 1 399 . 1 . 1 85 85 PRO CB C 13 32.037 0.09 . 1 . . . . . 101 PRO CB . 27103 1 400 . 1 . 1 86 86 LEU H H 1 8.489 0.00 . 1 . . . . . 102 LEU H . 27103 1 401 . 1 . 1 86 86 LEU C C 13 176.437 0.00 . 1 . . . . . 102 LEU C . 27103 1 402 . 1 . 1 86 86 LEU CA C 13 54.760 0.00 . 1 . . . . . 102 LEU CA . 27103 1 403 . 1 . 1 86 86 LEU CB C 13 42.240 0.03 . 1 . . . . . 102 LEU CB . 27103 1 404 . 1 . 1 86 86 LEU N N 15 122.977 0.06 . 1 . . . . . 102 LEU N . 27103 1 405 . 1 . 1 87 87 GLU H H 1 8.489 0.00 . 1 . . . . . 103 GLU H . 27103 1 406 . 1 . 1 87 87 GLU C C 13 173.670 0.00 . 1 . . . . . 103 GLU C . 27103 1 407 . 1 . 1 87 87 GLU CA C 13 53.987 0.00 . 1 . . . . . 103 GLU CA . 27103 1 408 . 1 . 1 87 87 GLU CB C 13 29.399 0.00 . 1 . . . . . 103 GLU CB . 27103 1 409 . 1 . 1 87 87 GLU N N 15 123.004 0.09 . 1 . . . . . 103 GLU N . 27103 1 410 . 1 . 1 90 90 LEU H H 1 8.320 0.00 . 1 . . . . . 106 LEU H . 27103 1 411 . 1 . 1 90 90 LEU CA C 13 55.272 0.12 . 1 . . . . . 106 LEU CA . 27103 1 412 . 1 . 1 90 90 LEU N N 15 123.079 0.00 . 1 . . . . . 106 LEU N . 27103 1 413 . 1 . 1 91 91 LEU H H 1 8.307 0.00 . 1 . . . . . 107 LEU H . 27103 1 414 . 1 . 1 91 91 LEU CB C 13 42.129 0.00 . 1 . . . . . 107 LEU CB . 27103 1 415 . 1 . 1 91 91 LEU N N 15 123.010 0.04 . 1 . . . . . 107 LEU N . 27103 1 416 . 1 . 1 92 92 PHE H H 1 8.268 0.00 . 1 . . . . . 108 PHE H . 27103 1 417 . 1 . 1 92 92 PHE C C 13 176.819 0.00 . 1 . . . . . 108 PHE C . 27103 1 418 . 1 . 1 92 92 PHE CA C 13 54.701 0.00 . 1 . . . . . 108 PHE CA . 27103 1 419 . 1 . 1 92 92 PHE N N 15 123.709 0.01 . 1 . . . . . 108 PHE N . 27103 1 420 . 1 . 1 93 93 LEU H H 1 8.421 0.00 . 1 . . . . . 109 LEU H . 27103 1 421 . 1 . 1 93 93 LEU C C 13 176.257 0.01 . 1 . . . . . 109 LEU C . 27103 1 422 . 1 . 1 93 93 LEU CA C 13 52.083 0.04 . 1 . . . . . 109 LEU CA . 27103 1 423 . 1 . 1 93 93 LEU N N 15 124.916 0.02 . 1 . . . . . 109 LEU N . 27103 1 424 . 1 . 1 94 94 LEU H H 1 8.383 0.00 . 1 . . . . . 110 LEU H . 27103 1 425 . 1 . 1 94 94 LEU C C 13 174.220 0.00 . 1 . . . . . 110 LEU C . 27103 1 426 . 1 . 1 94 94 LEU CA C 13 55.836 0.00 . 1 . . . . . 110 LEU CA . 27103 1 427 . 1 . 1 94 94 LEU CB C 13 40.032 0.00 . 1 . . . . . 110 LEU CB . 27103 1 428 . 1 . 1 94 94 LEU N N 15 121.611 0.04 . 1 . . . . . 110 LEU N . 27103 1 429 . 1 . 1 95 95 GLU H H 1 8.380 0.00 . 1 . . . . . 111 GLU H . 27103 1 430 . 1 . 1 95 95 GLU C C 13 174.227 0.00 . 1 . . . . . 111 GLU C . 27103 1 431 . 1 . 1 95 95 GLU CA C 13 57.002 0.02 . 1 . . . . . 111 GLU CA . 27103 1 432 . 1 . 1 95 95 GLU CB C 13 30.213 0.08 . 1 . . . . . 111 GLU CB . 27103 1 433 . 1 . 1 95 95 GLU N N 15 121.603 0.00 . 1 . . . . . 111 GLU N . 27103 1 434 . 1 . 1 96 96 GLU H H 1 8.454 0.00 . 1 . . . . . 112 GLU H . 27103 1 435 . 1 . 1 96 96 GLU C C 13 176.428 0.00 . 1 . . . . . 112 GLU C . 27103 1 436 . 1 . 1 96 96 GLU CA C 13 56.976 0.01 . 1 . . . . . 112 GLU CA . 27103 1 437 . 1 . 1 96 96 GLU CB C 13 30.050 0.00 . 1 . . . . . 112 GLU CB . 27103 1 438 . 1 . 1 96 96 GLU N N 15 121.026 0.04 . 1 . . . . . 112 GLU N . 27103 1 439 . 1 . 1 97 97 TYR H H 1 8.290 0.00 . 1 . . . . . 113 TYR H . 27103 1 440 . 1 . 1 97 97 TYR C C 13 175.802 0.00 . 1 . . . . . 113 TYR C . 27103 1 441 . 1 . 1 97 97 TYR CA C 13 58.488 0.04 . 1 . . . . . 113 TYR CA . 27103 1 442 . 1 . 1 97 97 TYR CB C 13 38.185 0.06 . 1 . . . . . 113 TYR CB . 27103 1 443 . 1 . 1 97 97 TYR N N 15 121.180 0.04 . 1 . . . . . 113 TYR N . 27103 1 444 . 1 . 1 98 98 LYS H H 1 8.177 0.00 . 1 . . . . . 114 LYS H . 27103 1 445 . 1 . 1 98 98 LYS C C 13 175.983 0.00 . 1 . . . . . 114 LYS C . 27103 1 446 . 1 . 1 98 98 LYS CA C 13 56.775 0.00 . 1 . . . . . 114 LYS CA . 27103 1 447 . 1 . 1 98 98 LYS CB C 13 32.634 0.00 . 1 . . . . . 114 LYS CB . 27103 1 448 . 1 . 1 98 98 LYS N N 15 122.426 0.03 . 1 . . . . . 114 LYS N . 27103 1 449 . 1 . 1 99 99 ASN H H 1 8.333 0.00 . 1 . . . . . 115 ASN H . 27103 1 450 . 1 . 1 99 99 ASN C C 13 175.335 0.01 . 1 . . . . . 115 ASN C . 27103 1 451 . 1 . 1 99 99 ASN CA C 13 53.336 0.05 . 1 . . . . . 115 ASN CA . 27103 1 452 . 1 . 1 99 99 ASN CB C 13 38.400 0.09 . 1 . . . . . 115 ASN CB . 27103 1 453 . 1 . 1 99 99 ASN N N 15 118.782 0.02 . 1 . . . . . 115 ASN N . 27103 1 454 . 1 . 1 100 100 TYR H H 1 8.158 0.00 . 1 . . . . . 116 TYR H . 27103 1 455 . 1 . 1 100 100 TYR C C 13 175.822 0.00 . 1 . . . . . 116 TYR C . 27103 1 456 . 1 . 1 100 100 TYR CA C 13 58.590 0.08 . 1 . . . . . 116 TYR CA . 27103 1 457 . 1 . 1 100 100 TYR CB C 13 38.181 0.06 . 1 . . . . . 116 TYR CB . 27103 1 458 . 1 . 1 100 100 TYR N N 15 121.036 0.03 . 1 . . . . . 116 TYR N . 27103 1 459 . 1 . 1 101 101 LEU H H 1 8.139 0.00 . 1 . . . . . 117 LEU H . 27103 1 460 . 1 . 1 101 101 LEU CA C 13 52.112 0.03 . 1 . . . . . 117 LEU CA . 27103 1 461 . 1 . 1 101 101 LEU CB C 13 38.068 0.00 . 1 . . . . . 117 LEU CB . 27103 1 462 . 1 . 1 101 101 LEU N N 15 122.464 0.01 . 1 . . . . . 117 LEU N . 27103 1 463 . 1 . 1 102 102 ASP H H 1 8.233 0.00 . 1 . . . . . 118 ASP H . 27103 1 464 . 1 . 1 102 102 ASP C C 13 176.482 0.00 . 1 . . . . . 118 ASP C . 27103 1 465 . 1 . 1 102 102 ASP CA C 13 54.465 0.01 . 1 . . . . . 118 ASP CA . 27103 1 466 . 1 . 1 102 102 ASP CB C 13 40.827 0.03 . 1 . . . . . 118 ASP CB . 27103 1 467 . 1 . 1 102 102 ASP N N 15 120.593 0.05 . 1 . . . . . 118 ASP N . 27103 1 468 . 1 . 1 103 103 ALA H H 1 8.223 0.00 . 1 . . . . . 119 ALA H . 27103 1 469 . 1 . 1 103 103 ALA C C 13 178.146 0.00 . 1 . . . . . 119 ALA C . 27103 1 470 . 1 . 1 103 103 ALA CA C 13 53.320 0.07 . 1 . . . . . 119 ALA CA . 27103 1 471 . 1 . 1 103 103 ALA CB C 13 18.784 0.02 . 1 . . . . . 119 ALA CB . 27103 1 472 . 1 . 1 103 103 ALA N N 15 123.976 0.08 . 1 . . . . . 119 ALA N . 27103 1 473 . 1 . 1 104 104 ALA H H 1 8.283 0.00 . 1 . . . . . 120 ALA H . 27103 1 474 . 1 . 1 104 104 ALA C C 13 177.918 0.00 . 1 . . . . . 120 ALA C . 27103 1 475 . 1 . 1 104 104 ALA CA C 13 53.165 0.03 . 1 . . . . . 120 ALA CA . 27103 1 476 . 1 . 1 104 104 ALA CB C 13 18.573 0.10 . 1 . . . . . 120 ALA CB . 27103 1 477 . 1 . 1 104 104 ALA N N 15 121.337 0.02 . 1 . . . . . 120 ALA N . 27103 1 478 . 1 . 1 105 105 ASN H H 1 8.188 0.00 . 1 . . . . . 121 ASN H . 27103 1 479 . 1 . 1 105 105 ASN C C 13 175.620 0.01 . 1 . . . . . 121 ASN C . 27103 1 480 . 1 . 1 105 105 ASN CA C 13 53.435 0.09 . 1 . . . . . 121 ASN CA . 27103 1 481 . 1 . 1 105 105 ASN CB C 13 38.415 0.06 . 1 . . . . . 121 ASN CB . 27103 1 482 . 1 . 1 105 105 ASN N N 15 116.342 0.03 . 1 . . . . . 121 ASN N . 27103 1 483 . 1 . 1 106 106 MET H H 1 8.302 0.00 . 1 . . . . . 122 MET H . 27103 1 484 . 1 . 1 106 106 MET C C 13 176.629 0.01 . 1 . . . . . 122 MET C . 27103 1 485 . 1 . 1 106 106 MET CA C 13 55.892 0.05 . 1 . . . . . 122 MET CA . 27103 1 486 . 1 . 1 106 106 MET CB C 13 32.264 0.07 . 1 . . . . . 122 MET CB . 27103 1 487 . 1 . 1 106 106 MET N N 15 120.208 0.02 . 1 . . . . . 122 MET N . 27103 1 488 . 1 . 1 107 107 SER H H 1 8.354 0.00 . 1 . . . . . 123 SER H . 27103 1 489 . 1 . 1 107 107 SER C C 13 174.977 0.04 . 1 . . . . . 123 SER C . 27103 1 490 . 1 . 1 107 107 SER CA C 13 58.942 0.03 . 1 . . . . . 123 SER CA . 27103 1 491 . 1 . 1 107 107 SER CB C 13 63.380 0.10 . 1 . . . . . 123 SER CB . 27103 1 492 . 1 . 1 107 107 SER N N 15 115.900 0.04 . 1 . . . . . 123 SER N . 27103 1 493 . 1 . 1 108 108 MET H H 1 8.283 0.00 . 1 . . . . . 124 MET H . 27103 1 494 . 1 . 1 108 108 MET C C 13 176.407 0.00 . 1 . . . . . 124 MET C . 27103 1 495 . 1 . 1 108 108 MET CA C 13 55.384 0.00 . 1 . . . . . 124 MET CA . 27103 1 496 . 1 . 1 108 108 MET CB C 13 32.610 0.00 . 1 . . . . . 124 MET CB . 27103 1 497 . 1 . 1 108 108 MET N N 15 121.405 0.03 . 1 . . . . . 124 MET N . 27103 1 498 . 1 . 1 109 109 ARG H H 1 8.386 0.01 . 1 . . . . . 125 ARG H . 27103 1 499 . 1 . 1 109 109 ARG C C 13 176.077 0.00 . 1 . . . . . 125 ARG C . 27103 1 500 . 1 . 1 109 109 ARG CA C 13 56.39 0.08 . 1 . . . . . 125 ARG CA . 27103 1 501 . 1 . 1 109 109 ARG CB C 13 30.04 0.04 . 1 . . . . . 125 ARG CB . 27103 1 502 . 1 . 1 109 109 ARG N N 15 122.231 0.07 . 1 . . . . . 125 ARG N . 27103 1 503 . 1 . 1 110 110 VAL H H 1 8.260 0.01 . 1 . . . . . 126 VAL H . 27103 1 504 . 1 . 1 110 110 VAL C C 13 175.637 0.00 . 1 . . . . . 126 VAL C . 27103 1 505 . 1 . 1 110 110 VAL CA C 13 62.180 0.04 . 1 . . . . . 126 VAL CA . 27103 1 506 . 1 . 1 110 110 VAL CB C 13 32.733 0.08 . 1 . . . . . 126 VAL CB . 27103 1 507 . 1 . 1 110 110 VAL N N 15 121.714 0.08 . 1 . . . . . 126 VAL N . 27103 1 508 . 1 . 1 111 111 ARG H H 1 8.577 0.01 . 1 . . . . . 127 ARG H . 27103 1 509 . 1 . 1 111 111 ARG C C 13 175.040 0.00 . 1 . . . . . 127 ARG C . 27103 1 510 . 1 . 1 111 111 ARG CA C 13 55.922 0.03 . 1 . . . . . 127 ARG CA . 27103 1 511 . 1 . 1 111 111 ARG CB C 13 30.544 0.08 . 1 . . . . . 127 ARG CB . 27103 1 512 . 1 . 1 111 111 ARG N N 15 126.226 0.03 . 1 . . . . . 127 ARG N . 27103 1 513 . 1 . 1 112 112 ARG H H 1 8.260 0.00 . 1 . . . . . 128 ARG H . 27103 1 514 . 1 . 1 112 112 ARG C C 13 174.848 0.00 . 1 . . . . . 128 ARG C . 27103 1 515 . 1 . 1 112 112 ARG CA C 13 57.306 0.00 . 1 . . . . . 128 ARG CA . 27103 1 516 . 1 . 1 112 112 ARG CB C 13 31.178 0.00 . 1 . . . . . 128 ARG CB . 27103 1 517 . 1 . 1 112 112 ARG N N 15 128.780 0.02 . 1 . . . . . 128 ARG N . 27103 1 stop_ save_