data_27102 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27102 _Entry.Title ; Backbone assignments for the Val66 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 . . . . 27102 2 Clay Bracken . . . . 27102 3 Henrietta Bains . . . . 27102 4 Agustin Anastasia . . . . 27102 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27102 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 303 27102 '15N chemical shifts' 102 27102 '1H chemical shifts' 102 27102 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 . 27102 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27103 'Met66 prodomain of BDNF' 27102 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27102 _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. . . . 27102 1 2 Henrietta Bains H. . . . 27102 1 3 Agustin Anastasia A. . . . 27102 1 4 Clay Bracken C. . . . 27102 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27102 _Assembly.ID 1 _Assembly.Name 'Val66 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 'Val66 BDNF Prodomain' 1 $Val66_BDNF_Prodomain A . yes native no no . . . 27102 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Val66_BDNF_Prodomain _Entity.Sf_category entity _Entity.Sf_framecode Val66_BDNF_Prodomain _Entity.Entry_ID 27102 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Val66_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 TSLADTFEHVIEELLDEDQK 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 . 27102 1 2 18 MET . 27102 1 3 19 ALA . 27102 1 4 20 PRO . 27102 1 5 21 MET . 27102 1 6 22 LYS . 27102 1 7 23 GLU . 27102 1 8 24 ALA . 27102 1 9 25 ASN . 27102 1 10 26 ILE . 27102 1 11 27 ARG . 27102 1 12 28 GLY . 27102 1 13 29 GLN . 27102 1 14 30 GLY . 27102 1 15 31 GLY . 27102 1 16 32 LEU . 27102 1 17 33 ALA . 27102 1 18 34 TYR . 27102 1 19 35 PRO . 27102 1 20 36 GLY . 27102 1 21 37 VAL . 27102 1 22 38 ARG . 27102 1 23 39 THR . 27102 1 24 40 HIS . 27102 1 25 41 GLY . 27102 1 26 42 THR . 27102 1 27 43 LEU . 27102 1 28 44 GLU . 27102 1 29 45 SER . 27102 1 30 46 VAL . 27102 1 31 47 ASN . 27102 1 32 48 GLY . 27102 1 33 49 PRO . 27102 1 34 50 LYS . 27102 1 35 51 ALA . 27102 1 36 52 GLY . 27102 1 37 53 SER . 27102 1 38 54 ARG . 27102 1 39 55 GLY . 27102 1 40 56 LEU . 27102 1 41 57 THR . 27102 1 42 58 SER . 27102 1 43 59 LEU . 27102 1 44 60 ALA . 27102 1 45 61 ASP . 27102 1 46 62 THR . 27102 1 47 63 PHE . 27102 1 48 64 GLU . 27102 1 49 65 HIS . 27102 1 50 66 VAL . 27102 1 51 67 ILE . 27102 1 52 68 GLU . 27102 1 53 69 GLU . 27102 1 54 70 LEU . 27102 1 55 71 LEU . 27102 1 56 72 ASP . 27102 1 57 73 GLU . 27102 1 58 74 ASP . 27102 1 59 75 GLN . 27102 1 60 76 LYS . 27102 1 61 77 VAL . 27102 1 62 78 ARG . 27102 1 63 79 PRO . 27102 1 64 80 ASN . 27102 1 65 81 GLU . 27102 1 66 82 GLU . 27102 1 67 83 ASN . 27102 1 68 84 ASN . 27102 1 69 85 LYS . 27102 1 70 86 ASP . 27102 1 71 87 ALA . 27102 1 72 88 ASP . 27102 1 73 89 LEU . 27102 1 74 90 TYR . 27102 1 75 91 THR . 27102 1 76 92 SER . 27102 1 77 93 ARG . 27102 1 78 94 VAL . 27102 1 79 95 MET . 27102 1 80 96 LEU . 27102 1 81 97 SER . 27102 1 82 98 SER . 27102 1 83 99 GLN . 27102 1 84 100 VAL . 27102 1 85 101 PRO . 27102 1 86 102 LEU . 27102 1 87 103 GLU . 27102 1 88 104 PRO . 27102 1 89 105 PRO . 27102 1 90 106 LEU . 27102 1 91 107 LEU . 27102 1 92 108 PHE . 27102 1 93 109 LEU . 27102 1 94 110 LEU . 27102 1 95 111 GLU . 27102 1 96 112 GLU . 27102 1 97 113 TYR . 27102 1 98 114 LYS . 27102 1 99 115 ASN . 27102 1 100 116 TYR . 27102 1 101 117 LEU . 27102 1 102 118 ASP . 27102 1 103 119 ALA . 27102 1 104 120 ALA . 27102 1 105 121 ASN . 27102 1 106 122 MET . 27102 1 107 123 SER . 27102 1 108 124 MET . 27102 1 109 125 ARG . 27102 1 110 126 VAL . 27102 1 111 127 ARG . 27102 1 112 128 ARG . 27102 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 27102 1 . MET 2 2 27102 1 . ALA 3 3 27102 1 . PRO 4 4 27102 1 . MET 5 5 27102 1 . LYS 6 6 27102 1 . GLU 7 7 27102 1 . ALA 8 8 27102 1 . ASN 9 9 27102 1 . ILE 10 10 27102 1 . ARG 11 11 27102 1 . GLY 12 12 27102 1 . GLN 13 13 27102 1 . GLY 14 14 27102 1 . GLY 15 15 27102 1 . LEU 16 16 27102 1 . ALA 17 17 27102 1 . TYR 18 18 27102 1 . PRO 19 19 27102 1 . GLY 20 20 27102 1 . VAL 21 21 27102 1 . ARG 22 22 27102 1 . THR 23 23 27102 1 . HIS 24 24 27102 1 . GLY 25 25 27102 1 . THR 26 26 27102 1 . LEU 27 27 27102 1 . GLU 28 28 27102 1 . SER 29 29 27102 1 . VAL 30 30 27102 1 . ASN 31 31 27102 1 . GLY 32 32 27102 1 . PRO 33 33 27102 1 . LYS 34 34 27102 1 . ALA 35 35 27102 1 . GLY 36 36 27102 1 . SER 37 37 27102 1 . ARG 38 38 27102 1 . GLY 39 39 27102 1 . LEU 40 40 27102 1 . THR 41 41 27102 1 . SER 42 42 27102 1 . LEU 43 43 27102 1 . ALA 44 44 27102 1 . ASP 45 45 27102 1 . THR 46 46 27102 1 . PHE 47 47 27102 1 . GLU 48 48 27102 1 . HIS 49 49 27102 1 . VAL 50 50 27102 1 . ILE 51 51 27102 1 . GLU 52 52 27102 1 . GLU 53 53 27102 1 . LEU 54 54 27102 1 . LEU 55 55 27102 1 . ASP 56 56 27102 1 . GLU 57 57 27102 1 . ASP 58 58 27102 1 . GLN 59 59 27102 1 . LYS 60 60 27102 1 . VAL 61 61 27102 1 . ARG 62 62 27102 1 . PRO 63 63 27102 1 . ASN 64 64 27102 1 . GLU 65 65 27102 1 . GLU 66 66 27102 1 . ASN 67 67 27102 1 . ASN 68 68 27102 1 . LYS 69 69 27102 1 . ASP 70 70 27102 1 . ALA 71 71 27102 1 . ASP 72 72 27102 1 . LEU 73 73 27102 1 . TYR 74 74 27102 1 . THR 75 75 27102 1 . SER 76 76 27102 1 . ARG 77 77 27102 1 . VAL 78 78 27102 1 . MET 79 79 27102 1 . LEU 80 80 27102 1 . SER 81 81 27102 1 . SER 82 82 27102 1 . GLN 83 83 27102 1 . VAL 84 84 27102 1 . PRO 85 85 27102 1 . LEU 86 86 27102 1 . GLU 87 87 27102 1 . PRO 88 88 27102 1 . PRO 89 89 27102 1 . LEU 90 90 27102 1 . LEU 91 91 27102 1 . PHE 92 92 27102 1 . LEU 93 93 27102 1 . LEU 94 94 27102 1 . GLU 95 95 27102 1 . GLU 96 96 27102 1 . TYR 97 97 27102 1 . LYS 98 98 27102 1 . ASN 99 99 27102 1 . TYR 100 100 27102 1 . LEU 101 101 27102 1 . ASP 102 102 27102 1 . ALA 103 103 27102 1 . ALA 104 104 27102 1 . ASN 105 105 27102 1 . MET 106 106 27102 1 . SER 107 107 27102 1 . MET 108 108 27102 1 . ARG 109 109 27102 1 . VAL 110 110 27102 1 . ARG 111 111 27102 1 . ARG 112 112 27102 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 27102 _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 $Val66_BDNF_Prodomain . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27102 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 27102 _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 $Val66_BDNF_Prodomain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28 . . . 27102 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27102 _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 'Val66 BDNF Prodomain' '[U-95% 13C; U-95% 15N]' . . 1 $Val66_BDNF_Prodomain . . 0.3 0.1 0.5 mM . . . . 27102 1 2 urea 'natural abundance' . . . . . . 2 . . M . . . . 27102 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27102 1 4 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 27102 1 5 glycine 'natural abundance' . . . . . . 10 . . mM . . . . 27102 1 6 PIPES 'natural abundance' . . . . . . 10 . . mM . . . . 27102 1 7 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 27102 1 8 D2O 'natural abundance' . . . . . . 7 . . % . . . . 27102 1 9 H2O 'natural abundance' . . . . . . 93 . . % . . . . 27102 1 10 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 27102 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 27102 _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 27102 1 pH 7.2 . pH 27102 1 pressure 1 . atm 27102 1 temperature 278 . K 27102 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27102 _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' . . 27102 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 27102 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27102 _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 . . 27102 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27102 2 'peak picking' . 27102 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 27102 _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 600 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 27102 _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 . 600 . . . 27102 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 27102 _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 . . . . . . . . . . . . . . . . . 27102 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27102 1 3 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27102 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27102 1 5 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27102 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27102 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 27102 _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 . . . . . 27102 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27102 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27102 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 27102 _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' . . . 27102 1 2 '3D HNCO' . . . 27102 1 3 '3D HCACO' . . . 27102 1 4 '3D CBCA(CO)NH' . . . 27102 1 5 '3D H(CCO)NH' . . . 27102 1 6 '3D HNCA' . . . 27102 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 13 175.365 0.00 . 1 . . . . . 18 MET C . 27102 1 2 . 1 . 1 2 2 MET CA C 13 55.032 0.05 . 1 . . . . . 18 MET CA . 27102 1 3 . 1 . 1 2 2 MET CB C 13 32.999 0.00 . 1 . . . . . 18 MET CB . 27102 1 4 . 1 . 1 3 3 ALA H H 1 8.615 0.00 . 1 . . . . . 19 ALA H . 27102 1 5 . 1 . 1 3 3 ALA C C 13 175.134 0.00 . 1 . . . . . 19 ALA C . 27102 1 6 . 1 . 1 3 3 ALA CA C 13 50.435 0.00 . 1 . . . . . 19 ALA CA . 27102 1 7 . 1 . 1 3 3 ALA N N 15 127.509 0.01 . 1 . . . . . 19 ALA N . 27102 1 8 . 1 . 1 4 4 PRO C C 13 176.678 0.00 . 1 . . . . . 20 PRO C . 27102 1 9 . 1 . 1 4 4 PRO CA C 13 62.653 0.04 . 1 . . . . . 20 PRO CA . 27102 1 10 . 1 . 1 4 4 PRO CB C 13 31.951 0.00 . 1 . . . . . 20 PRO CB . 27102 1 11 . 1 . 1 5 5 MET H H 1 8.630 0.00 . 1 . . . . . 21 MET H . 27102 1 12 . 1 . 1 5 5 MET C C 13 176.142 0.01 . 1 . . . . . 21 MET C . 27102 1 13 . 1 . 1 5 5 MET CA C 13 55.380 0.05 . 1 . . . . . 21 MET CA . 27102 1 14 . 1 . 1 5 5 MET CB C 13 32.908 0.00 . 1 . . . . . 21 MET CB . 27102 1 15 . 1 . 1 5 5 MET N N 15 121.297 0.02 . 1 . . . . . 21 MET N . 27102 1 16 . 1 . 1 6 6 LYS H H 1 8.563 0.00 . 1 . . . . . 22 LYS H . 27102 1 17 . 1 . 1 6 6 LYS C C 13 176.324 0.01 . 1 . . . . . 22 LYS C . 27102 1 18 . 1 . 1 6 6 LYS CA C 13 56.243 0.02 . 1 . . . . . 22 LYS CA . 27102 1 19 . 1 . 1 6 6 LYS CB C 13 32.972 0.00 . 1 . . . . . 22 LYS CB . 27102 1 20 . 1 . 1 6 6 LYS N N 15 123.505 0.01 . 1 . . . . . 22 LYS N . 27102 1 21 . 1 . 1 7 7 GLU H H 1 8.641 0.00 . 1 . . . . . 23 GLU H . 27102 1 22 . 1 . 1 7 7 GLU C C 13 175.958 0.00 . 1 . . . . . 23 GLU C . 27102 1 23 . 1 . 1 7 7 GLU CA C 13 56.333 0.03 . 1 . . . . . 23 GLU CA . 27102 1 24 . 1 . 1 7 7 GLU CB C 13 30.138 0.00 . 1 . . . . . 23 GLU CB . 27102 1 25 . 1 . 1 7 7 GLU N N 15 122.768 0.03 . 1 . . . . . 23 GLU N . 27102 1 26 . 1 . 1 8 8 ALA H H 1 8.527 0.00 . 1 . . . . . 24 ALA H . 27102 1 27 . 1 . 1 8 8 ALA C C 13 177.241 0.00 . 1 . . . . . 24 ALA C . 27102 1 28 . 1 . 1 8 8 ALA CA C 13 52.414 0.02 . 1 . . . . . 24 ALA CA . 27102 1 29 . 1 . 1 8 8 ALA CB C 13 19.190 0.00 . 1 . . . . . 24 ALA CB . 27102 1 30 . 1 . 1 8 8 ALA N N 15 125.005 0.01 . 1 . . . . . 24 ALA N . 27102 1 31 . 1 . 1 9 9 ASN H H 1 8.551 0.00 . 1 . . . . . 25 ASN H . 27102 1 32 . 1 . 1 9 9 ASN C C 13 175.032 0.00 . 1 . . . . . 25 ASN C . 27102 1 33 . 1 . 1 9 9 ASN CA C 13 52.988 0.07 . 1 . . . . . 25 ASN CA . 27102 1 34 . 1 . 1 9 9 ASN CB C 13 38.601 0.00 . 1 . . . . . 25 ASN CB . 27102 1 35 . 1 . 1 9 9 ASN N N 15 117.960 0.01 . 1 . . . . . 25 ASN N . 27102 1 36 . 1 . 1 10 10 ILE H H 1 8.238 0.00 . 1 . . . . . 26 ILE H . 27102 1 37 . 1 . 1 10 10 ILE C C 13 176.172 0.01 . 1 . . . . . 26 ILE C . 27102 1 38 . 1 . 1 10 10 ILE CA C 13 61.087 0.02 . 1 . . . . . 26 ILE CA . 27102 1 39 . 1 . 1 10 10 ILE CB C 13 38.347 0.00 . 1 . . . . . 26 ILE CB . 27102 1 40 . 1 . 1 10 10 ILE N N 15 121.405 0.01 . 1 . . . . . 26 ILE N . 27102 1 41 . 1 . 1 11 11 ARG H H 1 8.577 0.00 . 1 . . . . . 27 ARG H . 27102 1 42 . 1 . 1 11 11 ARG C C 13 176.714 0.00 . 1 . . . . . 27 ARG C . 27102 1 43 . 1 . 1 11 11 ARG CA C 13 56.209 0.01 . 1 . . . . . 27 ARG CA . 27102 1 44 . 1 . 1 11 11 ARG CB C 13 30.636 0.00 . 1 . . . . . 27 ARG CB . 27102 1 45 . 1 . 1 11 11 ARG N N 15 125.030 0.03 . 1 . . . . . 27 ARG N . 27102 1 46 . 1 . 1 12 12 GLY H H 1 8.530 0.01 . 1 . . . . . 28 GLY H . 27102 1 47 . 1 . 1 12 12 GLY C C 13 173.986 0.00 . 1 . . . . . 28 GLY C . 27102 1 48 . 1 . 1 12 12 GLY CA C 13 45.008 0.02 . 1 . . . . . 28 GLY CA . 27102 1 49 . 1 . 1 12 12 GLY N N 15 110.170 0.03 . 1 . . . . . 28 GLY N . 27102 1 50 . 1 . 1 13 13 GLN H H 1 8.438 0.00 . 1 . . . . . 29 GLN H . 27102 1 51 . 1 . 1 13 13 GLN C C 13 176.482 0.00 . 1 . . . . . 29 GLN C . 27102 1 52 . 1 . 1 13 13 GLN CA C 13 55.717 0.02 . 1 . . . . . 29 GLN CA . 27102 1 53 . 1 . 1 13 13 GLN CB C 13 29.361 0.00 . 1 . . . . . 29 GLN CB . 27102 1 54 . 1 . 1 13 13 GLN N N 15 119.707 0.01 . 1 . . . . . 29 GLN N . 27102 1 55 . 1 . 1 14 14 GLY H H 1 8.669 0.00 . 1 . . . . . 30 GLY H . 27102 1 56 . 1 . 1 14 14 GLY C C 13 174.392 0.00 . 1 . . . . . 30 GLY C . 27102 1 57 . 1 . 1 14 14 GLY CA C 13 45.135 0.02 . 1 . . . . . 30 GLY CA . 27102 1 58 . 1 . 1 14 14 GLY N N 15 110.124 0.01 . 1 . . . . . 30 GLY N . 27102 1 59 . 1 . 1 15 15 GLY H H 1 8.392 0.00 . 1 . . . . . 31 GLY H . 27102 1 60 . 1 . 1 15 15 GLY C C 13 173.818 0.00 . 1 . . . . . 31 GLY C . 27102 1 61 . 1 . 1 15 15 GLY CA C 13 44.878 0.03 . 1 . . . . . 31 GLY CA . 27102 1 62 . 1 . 1 15 15 GLY N N 15 108.576 0.01 . 1 . . . . . 31 GLY N . 27102 1 63 . 1 . 1 16 16 LEU H H 1 8.187 0.00 . 1 . . . . . 32 LEU H . 27102 1 64 . 1 . 1 16 16 LEU C C 13 176.776 0.00 . 1 . . . . . 32 LEU C . 27102 1 65 . 1 . 1 16 16 LEU CA C 13 54.696 0.03 . 1 . . . . . 32 LEU CA . 27102 1 66 . 1 . 1 16 16 LEU CB C 13 38.44 0.00 . 1 . . . . . 32 LEU CB . 27102 1 67 . 1 . 1 16 16 LEU N N 15 121.388 0.01 . 1 . . . . . 32 LEU N . 27102 1 68 . 1 . 1 17 17 ALA H H 1 8.371 0.01 . 1 . . . . . 33 ALA H . 27102 1 69 . 1 . 1 17 17 ALA C C 13 176.767 0.00 . 1 . . . . . 33 ALA C . 27102 1 70 . 1 . 1 17 17 ALA CA C 13 51.995 0.02 . 1 . . . . . 33 ALA CA . 27102 1 71 . 1 . 1 17 17 ALA CB C 13 19.190 0.00 . 1 . . . . . 33 ALA CB . 27102 1 72 . 1 . 1 17 17 ALA N N 15 124.529 0.01 . 1 . . . . . 33 ALA N . 27102 1 73 . 1 . 1 18 18 TYR H H 1 8.273 0.00 . 1 . . . . . 34 TYR H . 27102 1 74 . 1 . 1 18 18 TYR C C 13 173.976 0.00 . 1 . . . . . 34 TYR C . 27102 1 75 . 1 . 1 18 18 TYR CA C 13 55.401 0.00 . 1 . . . . . 34 TYR CA . 27102 1 76 . 1 . 1 18 18 TYR N N 15 120.503 0.01 . 1 . . . . . 34 TYR N . 27102 1 77 . 1 . 1 19 19 PRO C C 13 176.995 0.01 . 1 . . . . . 35 PRO C . 27102 1 78 . 1 . 1 19 19 PRO CA C 13 63.195 0.01 . 1 . . . . . 35 PRO CA . 27102 1 79 . 1 . 1 19 19 PRO CB C 13 31.844 0.00 . 1 . . . . . 35 PRO CB . 27102 1 80 . 1 . 1 20 20 GLY H H 1 8.113 0.00 . 1 . . . . . 36 GLY H . 27102 1 81 . 1 . 1 20 20 GLY C C 13 173.551 0.00 . 1 . . . . . 36 GLY C . 27102 1 82 . 1 . 1 20 20 GLY CA C 13 44.783 0.03 . 1 . . . . . 36 GLY CA . 27102 1 83 . 1 . 1 20 20 GLY N N 15 108.711 0.01 . 1 . . . . . 36 GLY N . 27102 1 84 . 1 . 1 21 21 VAL H H 1 8.128 0.00 . 1 . . . . . 37 VAL H . 27102 1 85 . 1 . 1 21 21 VAL C C 13 176.012 0.01 . 1 . . . . . 37 VAL C . 27102 1 86 . 1 . 1 21 21 VAL CA C 13 62.082 0.03 . 1 . . . . . 37 VAL CA . 27102 1 87 . 1 . 1 21 21 VAL CB C 13 32.627 0.00 . 1 . . . . . 37 VAL CB . 27102 1 88 . 1 . 1 21 21 VAL N N 15 119.578 0.00 . 1 . . . . . 37 VAL N . 27102 1 89 . 1 . 1 22 22 ARG H H 1 8.671 0.00 . 1 . . . . . 38 ARG H . 27102 1 90 . 1 . 1 22 22 ARG C C 13 176.204 0.00 . 1 . . . . . 38 ARG C . 27102 1 91 . 1 . 1 22 22 ARG CA C 13 55.724 0.01 . 1 . . . . . 38 ARG CA . 27102 1 92 . 1 . 1 22 22 ARG CB C 13 30.711 0.00 . 1 . . . . . 38 ARG CB . 27102 1 93 . 1 . 1 22 22 ARG N N 15 125.524 0.01 . 1 . . . . . 38 ARG N . 27102 1 94 . 1 . 1 23 23 THR H H 1 8.380 0.01 . 1 . . . . . 39 THR H . 27102 1 95 . 1 . 1 23 23 THR C C 13 174.090 0.00 . 1 . . . . . 39 THR C . 27102 1 96 . 1 . 1 23 23 THR CA C 13 61.459 0.02 . 1 . . . . . 39 THR CA . 27102 1 97 . 1 . 1 23 23 THR CB C 13 69.704 0.00 . 1 . . . . . 39 THR CB . 27102 1 98 . 1 . 1 23 23 THR N N 15 115.911 0.02 . 1 . . . . . 39 THR N . 27102 1 99 . 1 . 1 24 24 HIS H H 1 8.540 0.00 . 1 . . . . . 40 HIS H . 27102 1 100 . 1 . 1 24 24 HIS C C 13 175.436 0.00 . 1 . . . . . 40 HIS C . 27102 1 101 . 1 . 1 24 24 HIS CA C 13 56.132 0.03 . 1 . . . . . 40 HIS CA . 27102 1 102 . 1 . 1 24 24 HIS CB C 13 31.093 0.00 . 1 . . . . . 40 HIS CB . 27102 1 103 . 1 . 1 24 24 HIS N N 15 121.585 0.01 . 1 . . . . . 40 HIS N . 27102 1 104 . 1 . 1 25 25 GLY H H 1 8.566 0.00 . 1 . . . . . 41 GLY H . 27102 1 105 . 1 . 1 25 25 GLY C C 13 173.958 0.01 . 1 . . . . . 41 GLY C . 27102 1 106 . 1 . 1 25 25 GLY CA C 13 44.935 0.02 . 1 . . . . . 41 GLY CA . 27102 1 107 . 1 . 1 25 25 GLY N N 15 110.264 0.04 . 1 . . . . . 41 GLY N . 27102 1 108 . 1 . 1 26 26 THR H H 1 8.278 0.00 . 1 . . . . . 42 THR H . 27102 1 109 . 1 . 1 26 26 THR C C 13 174.541 0.00 . 1 . . . . . 42 THR C . 27102 1 110 . 1 . 1 26 26 THR CA C 13 61.672 0.05 . 1 . . . . . 42 THR CA . 27102 1 111 . 1 . 1 26 26 THR CB C 13 69.806 0.00 . 1 . . . . . 42 THR CB . 27102 1 112 . 1 . 1 26 26 THR N N 15 113.998 0.01 . 1 . . . . . 42 THR N . 27102 1 113 . 1 . 1 27 27 LEU H H 1 8.553 0.00 . 1 . . . . . 43 LEU H . 27102 1 114 . 1 . 1 27 27 LEU C C 13 177.239 0.01 . 1 . . . . . 43 LEU C . 27102 1 115 . 1 . 1 27 27 LEU CA C 13 55.053 0.03 . 1 . . . . . 43 LEU CA . 27102 1 116 . 1 . 1 27 27 LEU CB C 13 42.113 0.00 . 1 . . . . . 43 LEU CB . 27102 1 117 . 1 . 1 27 27 LEU N N 15 124.636 0.01 . 1 . . . . . 43 LEU N . 27102 1 118 . 1 . 1 28 28 GLU H H 1 8.566 0.00 . 1 . . . . . 44 GLU H . 27102 1 119 . 1 . 1 28 28 GLU C C 13 176.361 0.00 . 1 . . . . . 44 GLU C . 27102 1 120 . 1 . 1 28 28 GLU CA C 13 56.462 0.03 . 1 . . . . . 44 GLU CA . 27102 1 121 . 1 . 1 28 28 GLU CB C 13 30.126 0.00 . 1 . . . . . 44 GLU CB . 27102 1 122 . 1 . 1 28 28 GLU N N 15 121.904 0.02 . 1 . . . . . 44 GLU N . 27102 1 123 . 1 . 1 29 29 SER H H 1 8.487 0.00 . 1 . . . . . 45 SER H . 27102 1 124 . 1 . 1 29 29 SER C C 13 174.678 0.00 . 1 . . . . . 45 SER C . 27102 1 125 . 1 . 1 29 29 SER CA C 13 58.042 0.02 . 1 . . . . . 45 SER CA . 27102 1 126 . 1 . 1 29 29 SER CB C 13 63.597 0.00 . 1 . . . . . 45 SER CB . 27102 1 127 . 1 . 1 29 29 SER N N 15 117.016 0.01 . 1 . . . . . 45 SER N . 27102 1 128 . 1 . 1 30 30 VAL H H 1 8.319 0.00 . 1 . . . . . 46 VAL H . 27102 1 129 . 1 . 1 30 30 VAL C C 13 175.812 0.01 . 1 . . . . . 46 VAL C . 27102 1 130 . 1 . 1 30 30 VAL CA C 13 62.407 0.00 . 1 . . . . . 46 VAL CA . 27102 1 131 . 1 . 1 30 30 VAL CB C 13 32.340 0.00 . 1 . . . . . 46 VAL CB . 27102 1 132 . 1 . 1 30 30 VAL N N 15 121.665 0.01 . 1 . . . . . 46 VAL N . 27102 1 133 . 1 . 1 31 31 ASN H H 1 8.554 0.00 . 1 . . . . . 47 ASN H . 27102 1 134 . 1 . 1 31 31 ASN C C 13 175.032 0.00 . 1 . . . . . 47 ASN C . 27102 1 135 . 1 . 1 31 31 ASN CA C 13 52.902 0.03 . 1 . . . . . 47 ASN CA . 27102 1 136 . 1 . 1 31 31 ASN CB C 13 39.025 0.00 . 1 . . . . . 47 ASN CB . 27102 1 137 . 1 . 1 31 31 ASN N N 15 121.084 0.02 . 1 . . . . . 47 ASN N . 27102 1 138 . 1 . 1 32 32 GLY H H 1 8.203 0.00 . 1 . . . . . 48 GLY H . 27102 1 139 . 1 . 1 32 32 GLY C C 13 177.296 0.00 . 1 . . . . . 48 GLY C . 27102 1 140 . 1 . 1 32 32 GLY CA C 13 44.396 0.00 . 1 . . . . . 48 GLY CA . 27102 1 141 . 1 . 1 32 32 GLY N N 15 109.128 0.02 . 1 . . . . . 48 GLY N . 27102 1 142 . 1 . 1 33 33 PRO C C 13 177.038 0.00 . 1 . . . . . 49 PRO C . 27102 1 143 . 1 . 1 33 33 PRO CA C 13 62.855 0.04 . 1 . . . . . 49 PRO CA . 27102 1 144 . 1 . 1 33 33 PRO CB C 13 32.032 0.00 . 1 . . . . . 49 PRO CB . 27102 1 145 . 1 . 1 34 34 LYS H H 1 8.630 0.00 . 1 . . . . . 50 LYS H . 27102 1 146 . 1 . 1 34 34 LYS C C 13 176.464 0.00 . 1 . . . . . 50 LYS C . 27102 1 147 . 1 . 1 34 34 LYS CA C 13 55.954 0.02 . 1 . . . . . 50 LYS CA . 27102 1 148 . 1 . 1 34 34 LYS CB C 13 32.907 0.00 . 1 . . . . . 50 LYS CB . 27102 1 149 . 1 . 1 34 34 LYS N N 15 121.915 0.02 . 1 . . . . . 50 LYS N . 27102 1 150 . 1 . 1 35 35 ALA H H 1 8.555 0.00 . 1 . . . . . 51 ALA H . 27102 1 151 . 1 . 1 35 35 ALA C C 13 178.118 0.00 . 1 . . . . . 51 ALA C . 27102 1 152 . 1 . 1 35 35 ALA CA C 13 52.607 0.01 . 1 . . . . . 51 ALA CA . 27102 1 153 . 1 . 1 35 35 ALA CB C 13 18.998 0.00 . 1 . . . . . 51 ALA CB . 27102 1 154 . 1 . 1 35 35 ALA N N 15 125.771 0.01 . 1 . . . . . 51 ALA N . 27102 1 155 . 1 . 1 36 36 GLY H H 1 8.565 0.00 . 1 . . . . . 52 GLY H . 27102 1 156 . 1 . 1 36 36 GLY C C 13 174.106 0.00 . 1 . . . . . 52 GLY C . 27102 1 157 . 1 . 1 36 36 GLY CA C 13 44.943 0.02 . 1 . . . . . 52 GLY CA . 27102 1 158 . 1 . 1 36 36 GLY N N 15 108.645 0.01 . 1 . . . . . 52 GLY N . 27102 1 159 . 1 . 1 37 37 SER H H 1 8.338 0.00 . 1 . . . . . 53 SER H . 27102 1 160 . 1 . 1 37 37 SER C C 13 174.600 0.01 . 1 . . . . . 53 SER C . 27102 1 161 . 1 . 1 37 37 SER CA C 13 58.286 0.01 . 1 . . . . . 53 SER CA . 27102 1 162 . 1 . 1 37 37 SER CB C 13 63.741 0.00 . 1 . . . . . 53 SER CB . 27102 1 163 . 1 . 1 37 37 SER N N 15 115.574 0.02 . 1 . . . . . 53 SER N . 27102 1 164 . 1 . 1 38 38 ARG H H 1 8.637 0.00 . 1 . . . . . 54 ARG H . 27102 1 165 . 1 . 1 38 38 ARG C C 13 176.570 0.01 . 1 . . . . . 54 ARG C . 27102 1 166 . 1 . 1 38 38 ARG CA C 13 56.184 0.02 . 1 . . . . . 54 ARG CA . 27102 1 167 . 1 . 1 38 38 ARG CB C 13 30.579 0.00 . 1 . . . . . 54 ARG CB . 27102 1 168 . 1 . 1 38 38 ARG N N 15 122.857 0.02 . 1 . . . . . 54 ARG N . 27102 1 169 . 1 . 1 39 39 GLY H H 1 8.514 0.00 . 1 . . . . . 55 GLY H . 27102 1 170 . 1 . 1 39 39 GLY C C 13 173.802 0.00 . 1 . . . . . 55 GLY C . 27102 1 171 . 1 . 1 39 39 GLY CA C 13 44.917 0.02 . 1 . . . . . 55 GLY CA . 27102 1 172 . 1 . 1 39 39 GLY N N 15 109.611 0.02 . 1 . . . . . 55 GLY N . 27102 1 173 . 1 . 1 40 40 LEU H H 1 8.325 0.00 . 1 . . . . . 56 LEU H . 27102 1 174 . 1 . 1 40 40 LEU C C 13 177.672 0.00 . 1 . . . . . 56 LEU C . 27102 1 175 . 1 . 1 40 40 LEU CA C 13 55.097 0.05 . 1 . . . . . 56 LEU CA . 27102 1 176 . 1 . 1 40 40 LEU CB C 13 42.235 0.00 . 1 . . . . . 56 LEU CB . 27102 1 177 . 1 . 1 40 40 LEU N N 15 121.541 0.02 . 1 . . . . . 56 LEU N . 27102 1 178 . 1 . 1 41 41 THR H H 1 8.337 0.00 . 1 . . . . . 57 THR H . 27102 1 179 . 1 . 1 41 41 THR C C 13 174.274 0.00 . 1 . . . . . 57 THR C . 27102 1 180 . 1 . 1 41 41 THR CA C 13 61.542 0.03 . 1 . . . . . 57 THR CA . 27102 1 181 . 1 . 1 41 41 THR CB C 13 69.762 0.00 . 1 . . . . . 57 THR CB . 27102 1 182 . 1 . 1 41 41 THR N N 15 114.662 0.01 . 1 . . . . . 57 THR N . 27102 1 183 . 1 . 1 42 42 SER H H 1 8.491 0.00 . 1 . . . . . 58 SER H . 27102 1 184 . 1 . 1 42 42 SER C C 13 174.406 0.01 . 1 . . . . . 58 SER C . 27102 1 185 . 1 . 1 42 42 SER CA C 13 57.819 0.00 . 1 . . . . . 58 SER CA . 27102 1 186 . 1 . 1 42 42 SER CB C 13 63.748 0.00 . 1 . . . . . 58 SER CB . 27102 1 187 . 1 . 1 42 42 SER N N 15 118.185 0.02 . 1 . . . . . 58 SER N . 27102 1 188 . 1 . 1 43 43 LEU H H 1 8.486 0.00 . 1 . . . . . 59 LEU H . 27102 1 189 . 1 . 1 43 43 LEU C C 13 177.131 0.02 . 1 . . . . . 59 LEU C . 27102 1 190 . 1 . 1 43 43 LEU CA C 13 55.150 0.06 . 1 . . . . . 59 LEU CA . 27102 1 191 . 1 . 1 43 43 LEU CB C 13 41.990 0.00 . 1 . . . . . 59 LEU CB . 27102 1 192 . 1 . 1 43 43 LEU N N 15 124.467 0.03 . 1 . . . . . 59 LEU N . 27102 1 193 . 1 . 1 44 44 ALA H H 1 8.344 0.00 . 1 . . . . . 60 ALA H . 27102 1 194 . 1 . 1 44 44 ALA C C 13 177.383 0.00 . 1 . . . . . 60 ALA C . 27102 1 195 . 1 . 1 44 44 ALA CA C 13 52.429 0.01 . 1 . . . . . 60 ALA CA . 27102 1 196 . 1 . 1 44 44 ALA CB C 13 19.075 0.00 . 1 . . . . . 60 ALA CB . 27102 1 197 . 1 . 1 44 44 ALA N N 15 123.908 0.01 . 1 . . . . . 60 ALA N . 27102 1 198 . 1 . 1 45 45 ASP H H 1 8.314 0.00 . 1 . . . . . 61 ASP H . 27102 1 199 . 1 . 1 45 45 ASP C C 13 176.180 0.00 . 1 . . . . . 61 ASP C . 27102 1 200 . 1 . 1 45 45 ASP CA C 13 54.240 0.04 . 1 . . . . . 61 ASP CA . 27102 1 201 . 1 . 1 45 45 ASP CB C 13 40.949 0.00 . 1 . . . . . 61 ASP CB . 27102 1 202 . 1 . 1 45 45 ASP N N 15 119.335 0.01 . 1 . . . . . 61 ASP N . 27102 1 203 . 1 . 1 46 46 THR H H 1 8.040 0.00 . 1 . . . . . 62 THR H . 27102 1 204 . 1 . 1 46 46 THR C C 13 174.034 0.00 . 1 . . . . . 62 THR C . 27102 1 205 . 1 . 1 46 46 THR CA C 13 61.550 0.01 . 1 . . . . . 62 THR CA . 27102 1 206 . 1 . 1 46 46 THR CB C 13 69.636 0.00 . 1 . . . . . 62 THR CB . 27102 1 207 . 1 . 1 46 46 THR N N 15 113.187 0.01 . 1 . . . . . 62 THR N . 27102 1 208 . 1 . 1 47 47 PHE H H 1 8.285 0.01 . 1 . . . . . 63 PHE H . 27102 1 209 . 1 . 1 47 47 PHE C C 13 175.266 0.00 . 1 . . . . . 63 PHE C . 27102 1 210 . 1 . 1 47 47 PHE CA C 13 57.519 0.01 . 1 . . . . . 63 PHE CA . 27102 1 211 . 1 . 1 47 47 PHE CB C 13 39.372 0.00 . 1 . . . . . 63 PHE CB . 27102 1 212 . 1 . 1 47 47 PHE N N 15 121.821 0.01 . 1 . . . . . 63 PHE N . 27102 1 213 . 1 . 1 48 48 GLU H H 1 8.385 0.00 . 1 . . . . . 64 GLU H . 27102 1 214 . 1 . 1 48 48 GLU C C 13 175.539 0.00 . 1 . . . . . 64 GLU C . 27102 1 215 . 1 . 1 48 48 GLU CA C 13 56.186 0.06 . 1 . . . . . 64 GLU CA . 27102 1 216 . 1 . 1 48 48 GLU N N 15 122.197 0.01 . 1 . . . . . 64 GLU N . 27102 1 217 . 1 . 1 49 49 HIS H H 1 8.525 0.01 . 1 . . . . . 65 HIS H . 27102 1 218 . 1 . 1 49 49 HIS C C 13 174.446 0.00 . 1 . . . . . 65 HIS C . 27102 1 219 . 1 . 1 49 49 HIS CA C 13 55.470 0.03 . 1 . . . . . 65 HIS CA . 27102 1 220 . 1 . 1 49 49 HIS CB C 13 29.987 0.00 . 1 . . . . . 65 HIS CB . 27102 1 221 . 1 . 1 49 49 HIS N N 15 121.080 0.14 . 1 . . . . . 65 HIS N . 27102 1 222 . 1 . 1 50 50 VAL H H 1 8.377 0.00 . 1 . . . . . 66 VAL H . 27102 1 223 . 1 . 1 50 50 VAL C C 13 175.691 0.01 . 1 . . . . . 66 VAL C . 27102 1 224 . 1 . 1 50 50 VAL CA C 13 62.114 0.03 . 1 . . . . . 66 VAL CA . 27102 1 225 . 1 . 1 50 50 VAL CB C 13 32.669 0.00 . 1 . . . . . 66 VAL CB . 27102 1 226 . 1 . 1 50 50 VAL N N 15 123.422 0.01 . 1 . . . . . 66 VAL N . 27102 1 227 . 1 . 1 51 51 ILE H H 1 8.477 0.00 . 1 . . . . . 67 ILE H . 27102 1 228 . 1 . 1 51 51 ILE C C 13 175.898 0.00 . 1 . . . . . 67 ILE C . 27102 1 229 . 1 . 1 51 51 ILE CA C 13 60.812 0.04 . 1 . . . . . 67 ILE CA . 27102 1 230 . 1 . 1 51 51 ILE CB C 13 38.218 0.00 . 1 . . . . . 67 ILE CB . 27102 1 231 . 1 . 1 51 51 ILE N N 15 126.046 0.01 . 1 . . . . . 67 ILE N . 27102 1 232 . 1 . 1 52 52 GLU H H 1 8.645 0.00 . 1 . . . . . 68 GLU H . 27102 1 233 . 1 . 1 52 52 GLU C C 13 175.926 0.02 . 1 . . . . . 68 GLU C . 27102 1 234 . 1 . 1 52 52 GLU CA C 13 56.215 0.01 . 1 . . . . . 68 GLU CA . 27102 1 235 . 1 . 1 52 52 GLU CB C 13 30.337 0.00 . 1 . . . . . 68 GLU CB . 27102 1 236 . 1 . 1 52 52 GLU N N 15 126.272 0.02 . 1 . . . . . 68 GLU N . 27102 1 237 . 1 . 1 53 53 GLU H H 1 8.594 0.00 . 1 . . . . . 69 GLU H . 27102 1 238 . 1 . 1 53 53 GLU C C 13 175.810 0.01 . 1 . . . . . 69 GLU C . 27102 1 239 . 1 . 1 53 53 GLU CA C 13 56.145 0.01 . 1 . . . . . 69 GLU CA . 27102 1 240 . 1 . 1 53 53 GLU CB C 13 30.327 0.00 . 1 . . . . . 69 GLU CB . 27102 1 241 . 1 . 1 53 53 GLU N N 15 122.874 0.01 . 1 . . . . . 69 GLU N . 27102 1 242 . 1 . 1 54 54 LEU H H 1 8.500 0.01 . 1 . . . . . 70 LEU H . 27102 1 243 . 1 . 1 54 54 LEU C C 13 176.857 0.02 . 1 . . . . . 70 LEU C . 27102 1 244 . 1 . 1 54 54 LEU CA C 13 54.670 0.03 . 1 . . . . . 70 LEU CA . 27102 1 245 . 1 . 1 54 54 LEU CB C 13 41.986 0.00 . 1 . . . . . 70 LEU CB . 27102 1 246 . 1 . 1 54 54 LEU N N 15 124.214 0.02 . 1 . . . . . 70 LEU N . 27102 1 247 . 1 . 1 55 55 LEU H H 1 8.483 0.00 . 1 . . . . . 71 LEU H . 27102 1 248 . 1 . 1 55 55 LEU C C 13 176.938 0.01 . 1 . . . . . 71 LEU C . 27102 1 249 . 1 . 1 55 55 LEU CA C 13 54.562 0.05 . 1 . . . . . 71 LEU CA . 27102 1 250 . 1 . 1 55 55 LEU CB C 13 42.049 0.00 . 1 . . . . . 71 LEU CB . 27102 1 251 . 1 . 1 55 55 LEU N N 15 123.991 0.02 . 1 . . . . . 71 LEU N . 27102 1 252 . 1 . 1 56 56 ASP H H 1 8.547 0.00 . 1 . . . . . 72 ASP H . 27102 1 253 . 1 . 1 56 56 ASP C C 13 176.501 0.01 . 1 . . . . . 72 ASP C . 27102 1 254 . 1 . 1 56 56 ASP CA C 13 54.039 0.02 . 1 . . . . . 72 ASP CA . 27102 1 255 . 1 . 1 56 56 ASP CB C 13 40.982 0.00 . 1 . . . . . 72 ASP CB . 27102 1 256 . 1 . 1 56 56 ASP N N 15 121.794 0.03 . 1 . . . . . 72 ASP N . 27102 1 257 . 1 . 1 57 57 GLU H H 1 8.627 0.00 . 1 . . . . . 73 GLU H . 27102 1 258 . 1 . 1 57 57 GLU C C 13 176.498 0.01 . 1 . . . . . 73 GLU C . 27102 1 259 . 1 . 1 57 57 GLU CA C 13 57.079 0.06 . 1 . . . . . 73 GLU CA . 27102 1 260 . 1 . 1 57 57 GLU CB C 13 30.051 0.00 . 1 . . . . . 73 GLU CB . 27102 1 261 . 1 . 1 57 57 GLU N N 15 121.391 0.03 . 1 . . . . . 73 GLU N . 27102 1 262 . 1 . 1 58 58 ASP H H 1 8.499 0.00 . 1 . . . . . 74 ASP H . 27102 1 263 . 1 . 1 58 58 ASP C C 13 176.276 0.00 . 1 . . . . . 74 ASP C . 27102 1 264 . 1 . 1 58 58 ASP CA C 13 54.594 0.04 . 1 . . . . . 74 ASP CA . 27102 1 265 . 1 . 1 58 58 ASP CB C 13 40.837 0.00 . 1 . . . . . 74 ASP CB . 27102 1 266 . 1 . 1 58 58 ASP N N 15 120.226 0.01 . 1 . . . . . 74 ASP N . 27102 1 267 . 1 . 1 59 59 GLN H H 1 8.265 0.00 . 1 . . . . . 75 GLN H . 27102 1 268 . 1 . 1 59 59 GLN C C 13 175.836 0.01 . 1 . . . . . 75 GLN C . 27102 1 269 . 1 . 1 59 59 GLN CA C 13 55.641 0.02 . 1 . . . . . 75 GLN CA . 27102 1 270 . 1 . 1 59 59 GLN CB C 13 29.001 0.00 . 1 . . . . . 75 GLN CB . 27102 1 271 . 1 . 1 59 59 GLN N N 15 119.702 0.01 . 1 . . . . . 75 GLN N . 27102 1 272 . 1 . 1 60 60 LYS H H 1 8.258 0.00 . 1 . . . . . 76 LYS H . 27102 1 273 . 1 . 1 60 60 LYS C C 13 176.398 0.01 . 1 . . . . . 76 LYS C . 27102 1 274 . 1 . 1 60 60 LYS CA C 13 52.968 0.03 . 1 . . . . . 76 LYS CA . 27102 1 275 . 1 . 1 60 60 LYS N N 15 121.767 0.02 . 1 . . . . . 76 LYS N . 27102 1 276 . 1 . 1 61 61 VAL H H 1 8.259 0.00 . 1 . . . . . 77 VAL H . 27102 1 277 . 1 . 1 61 61 VAL C C 13 175.803 0.00 . 1 . . . . . 77 VAL C . 27102 1 278 . 1 . 1 61 61 VAL CA C 13 62.063 0.03 . 1 . . . . . 77 VAL CA . 27102 1 279 . 1 . 1 61 61 VAL CB C 13 32.403 0.00 . 1 . . . . . 77 VAL CB . 27102 1 280 . 1 . 1 61 61 VAL N N 15 121.348 0.04 . 1 . . . . . 77 VAL N . 27102 1 281 . 1 . 1 62 62 ARG H H 1 8.655 0.00 . 1 . . . . . 78 ARG H . 27102 1 282 . 1 . 1 62 62 ARG C C 13 173.974 0.00 . 1 . . . . . 78 ARG C . 27102 1 283 . 1 . 1 62 62 ARG CA C 13 53.660 0.00 . 1 . . . . . 78 ARG CA . 27102 1 284 . 1 . 1 62 62 ARG N N 15 126.928 0.01 . 1 . . . . . 78 ARG N . 27102 1 285 . 1 . 1 63 63 PRO C C 13 176.427 0.00 . 1 . . . . . 79 PRO C . 27102 1 286 . 1 . 1 63 63 PRO CA C 13 62.886 0.03 . 1 . . . . . 79 PRO CA . 27102 1 287 . 1 . 1 63 63 PRO CB C 13 32.028 0.00 . 1 . . . . . 79 PRO CB . 27102 1 288 . 1 . 1 64 64 ASN H H 1 8.735 0.00 . 1 . . . . . 80 ASN H . 27102 1 289 . 1 . 1 64 64 ASN C C 13 175.273 0.00 . 1 . . . . . 80 ASN C . 27102 1 290 . 1 . 1 64 64 ASN CA C 13 53.332 0.05 . 1 . . . . . 80 ASN CA . 27102 1 291 . 1 . 1 64 64 ASN CB C 13 38.516 0.00 . 1 . . . . . 80 ASN CB . 27102 1 292 . 1 . 1 64 64 ASN N N 15 119.080 0.01 . 1 . . . . . 80 ASN N . 27102 1 293 . 1 . 1 65 65 GLU H H 1 8.579 0.00 . 1 . . . . . 81 GLU H . 27102 1 294 . 1 . 1 65 65 GLU C C 13 176.968 0.49 . 1 . . . . . 81 GLU C . 27102 1 295 . 1 . 1 65 65 GLU CA C 13 56.444 0.06 . 1 . . . . . 81 GLU CA . 27102 1 296 . 1 . 1 65 65 GLU CB C 13 30.162 0.00 . 1 . . . . . 81 GLU CB . 27102 1 297 . 1 . 1 65 65 GLU N N 15 121.471 0.02 . 1 . . . . . 81 GLU N . 27102 1 298 . 1 . 1 66 66 GLU H H 1 8.540 0.01 . 1 . . . . . 82 GLU H . 27102 1 299 . 1 . 1 66 66 GLU C C 13 176.108 0.00 . 1 . . . . . 82 GLU C . 27102 1 300 . 1 . 1 66 66 GLU CA C 13 56.623 0.07 . 1 . . . . . 82 GLU CA . 27102 1 301 . 1 . 1 66 66 GLU CB C 13 30.006 0.00 . 1 . . . . . 82 GLU CB . 27102 1 302 . 1 . 1 66 66 GLU N N 15 121.323 0.06 . 1 . . . . . 82 GLU N . 27102 1 303 . 1 . 1 67 67 ASN H H 1 8.551 0.00 . 1 . . . . . 83 ASN H . 27102 1 304 . 1 . 1 67 67 ASN C C 13 174.735 0.00 . 1 . . . . . 83 ASN C . 27102 1 305 . 1 . 1 67 67 ASN CA C 13 53.015 0.03 . 1 . . . . . 83 ASN CA . 27102 1 306 . 1 . 1 67 67 ASN CB C 13 38.696 0.00 . 1 . . . . . 83 ASN CB . 27102 1 307 . 1 . 1 67 67 ASN N N 15 119.260 0.02 . 1 . . . . . 83 ASN N . 27102 1 308 . 1 . 1 68 68 ASN H H 1 8.516 0.00 . 1 . . . . . 84 ASN H . 27102 1 309 . 1 . 1 68 68 ASN C C 13 175.362 0.01 . 1 . . . . . 84 ASN C . 27102 1 310 . 1 . 1 68 68 ASN CA C 13 53.068 0.06 . 1 . . . . . 84 ASN CA . 27102 1 311 . 1 . 1 68 68 ASN CB C 13 38.560 0.00 . 1 . . . . . 84 ASN CB . 27102 1 312 . 1 . 1 68 68 ASN N N 15 119.563 0.01 . 1 . . . . . 84 ASN N . 27102 1 313 . 1 . 1 69 69 LYS H H 1 8.460 0.00 . 1 . . . . . 85 LYS H . 27102 1 314 . 1 . 1 69 69 LYS C C 13 176.441 0.02 . 1 . . . . . 85 LYS C . 27102 1 315 . 1 . 1 69 69 LYS CA C 13 56.688 0.04 . 1 . . . . . 85 LYS CA . 27102 1 316 . 1 . 1 69 69 LYS CB C 13 32.537 0.00 . 1 . . . . . 85 LYS CB . 27102 1 317 . 1 . 1 69 69 LYS N N 15 121.988 0.01 . 1 . . . . . 85 LYS N . 27102 1 318 . 1 . 1 70 70 ASP H H 1 8.447 0.00 . 1 . . . . . 86 ASP H . 27102 1 319 . 1 . 1 70 70 ASP C C 13 176.120 0.00 . 1 . . . . . 86 ASP C . 27102 1 320 . 1 . 1 70 70 ASP CA C 13 54.545 0.04 . 1 . . . . . 86 ASP CA . 27102 1 321 . 1 . 1 70 70 ASP CB C 13 40.753 0.00 . 1 . . . . . 86 ASP CB . 27102 1 322 . 1 . 1 70 70 ASP N N 15 120.773 0.02 . 1 . . . . . 86 ASP N . 27102 1 323 . 1 . 1 71 71 ALA H H 1 8.197 0.00 . 1 . . . . . 87 ALA H . 27102 1 324 . 1 . 1 71 71 ALA C C 13 177.690 0.00 . 1 . . . . . 87 ALA C . 27102 1 325 . 1 . 1 71 71 ALA CA C 13 52.989 0.04 . 1 . . . . . 87 ALA CA . 27102 1 326 . 1 . 1 71 71 ALA CB C 13 18.996 0.00 . 1 . . . . . 87 ALA CB . 27102 1 327 . 1 . 1 71 71 ALA N N 15 123.684 0.01 . 1 . . . . . 87 ALA N . 27102 1 328 . 1 . 1 72 72 ASP H H 1 8.397 0.00 . 1 . . . . . 88 ASP H . 27102 1 329 . 1 . 1 72 72 ASP C C 13 176.349 0.00 . 1 . . . . . 88 ASP C . 27102 1 330 . 1 . 1 72 72 ASP CA C 13 54.350 0.03 . 1 . . . . . 88 ASP CA . 27102 1 331 . 1 . 1 72 72 ASP CB C 13 40.732 0.00 . 1 . . . . . 88 ASP CB . 27102 1 332 . 1 . 1 72 72 ASP N N 15 118.725 0.01 . 1 . . . . . 88 ASP N . 27102 1 333 . 1 . 1 73 73 LEU H H 1 8.065 0.00 . 1 . . . . . 89 LEU H . 27102 1 334 . 1 . 1 73 73 LEU C C 13 177.364 0.00 . 1 . . . . . 89 LEU C . 27102 1 335 . 1 . 1 73 73 LEU CA C 13 55.580 0.05 . 1 . . . . . 89 LEU CA . 27102 1 336 . 1 . 1 73 73 LEU CB C 13 42.218 0.00 . 1 . . . . . 89 LEU CB . 27102 1 337 . 1 . 1 73 73 LEU N N 15 121.616 0.00 . 1 . . . . . 89 LEU N . 27102 1 338 . 1 . 1 74 74 TYR H H 1 8.256 0.00 . 1 . . . . . 90 TYR H . 27102 1 339 . 1 . 1 74 74 TYR C C 13 176.108 0.00 . 1 . . . . . 90 TYR C . 27102 1 340 . 1 . 1 74 74 TYR CA C 13 58.126 0.01 . 1 . . . . . 90 TYR CA . 27102 1 341 . 1 . 1 74 74 TYR CB C 13 38.376 0.00 . 1 . . . . . 90 TYR CB . 27102 1 342 . 1 . 1 74 74 TYR N N 15 119.576 0.04 . 1 . . . . . 90 TYR N . 27102 1 343 . 1 . 1 75 75 THR H H 1 8.015 0.00 . 1 . . . . . 91 THR H . 27102 1 344 . 1 . 1 75 75 THR C C 13 174.299 0.02 . 1 . . . . . 91 THR C . 27102 1 345 . 1 . 1 75 75 THR CA C 13 61.990 0.03 . 1 . . . . . 91 THR CA . 27102 1 346 . 1 . 1 75 75 THR CB C 13 69.574 0.00 . 1 . . . . . 91 THR CB . 27102 1 347 . 1 . 1 75 75 THR N N 15 115.203 0.01 . 1 . . . . . 91 THR N . 27102 1 348 . 1 . 1 76 76 SER H H 1 8.355 0.00 . 1 . . . . . 92 SER H . 27102 1 349 . 1 . 1 76 76 SER C C 13 174.358 0.00 . 1 . . . . . 92 SER C . 27102 1 350 . 1 . 1 76 76 SER CA C 13 58.414 0.05 . 1 . . . . . 92 SER CA . 27102 1 351 . 1 . 1 76 76 SER CB C 13 63.508 0.00 . 1 . . . . . 92 SER CB . 27102 1 352 . 1 . 1 76 76 SER N N 15 117.953 0.01 . 1 . . . . . 92 SER N . 27102 1 353 . 1 . 1 77 77 ARG H H 1 8.396 0.00 . 1 . . . . . 93 ARG H . 27102 1 354 . 1 . 1 77 77 ARG C C 13 176.093 0.00 . 1 . . . . . 93 ARG C . 27102 1 355 . 1 . 1 77 77 ARG CA C 13 56.150 0.05 . 1 . . . . . 93 ARG CA . 27102 1 356 . 1 . 1 77 77 ARG N N 15 123.175 0.01 . 1 . . . . . 93 ARG N . 27102 1 357 . 1 . 1 78 78 VAL H H 1 8.252 0.01 . 1 . . . . . 94 VAL H . 27102 1 358 . 1 . 1 78 78 VAL C C 13 175.981 0.01 . 1 . . . . . 94 VAL C . 27102 1 359 . 1 . 1 78 78 VAL CA C 13 62.380 0.05 . 1 . . . . . 94 VAL CA . 27102 1 360 . 1 . 1 78 78 VAL CB C 13 32.360 0.00 . 1 . . . . . 94 VAL CB . 27102 1 361 . 1 . 1 78 78 VAL N N 15 121.662 0.04 . 1 . . . . . 94 VAL N . 27102 1 362 . 1 . 1 79 79 MET H H 1 8.578 0.00 . 1 . . . . . 95 MET H . 27102 1 363 . 1 . 1 79 79 MET C C 13 175.995 0.00 . 1 . . . . . 95 MET C . 27102 1 364 . 1 . 1 79 79 MET CA C 13 54.912 0.00 . 1 . . . . . 95 MET CA . 27102 1 365 . 1 . 1 79 79 MET CB C 13 32.409 0.00 . 1 . . . . . 95 MET CB . 27102 1 366 . 1 . 1 79 79 MET N N 15 124.819 0.03 . 1 . . . . . 95 MET N . 27102 1 367 . 1 . 1 80 80 LEU H H 1 8.480 0.00 . 1 . . . . . 96 LEU H . 27102 1 368 . 1 . 1 80 80 LEU C C 13 177.423 0.00 . 1 . . . . . 96 LEU C . 27102 1 369 . 1 . 1 80 80 LEU CA C 13 55.016 0.03 . 1 . . . . . 96 LEU CA . 27102 1 370 . 1 . 1 80 80 LEU CB C 13 42.212 0.00 . 1 . . . . . 96 LEU CB . 27102 1 371 . 1 . 1 80 80 LEU N N 15 124.249 0.03 . 1 . . . . . 96 LEU N . 27102 1 372 . 1 . 1 81 81 SER H H 1 8.511 0.00 . 1 . . . . . 97 SER H . 27102 1 373 . 1 . 1 81 81 SER C C 13 174.469 0.00 . 1 . . . . . 97 SER C . 27102 1 374 . 1 . 1 81 81 SER CA C 13 58.271 0.03 . 1 . . . . . 97 SER CA . 27102 1 375 . 1 . 1 81 81 SER CB C 13 63.586 0.00 . 1 . . . . . 97 SER CB . 27102 1 376 . 1 . 1 81 81 SER N N 15 116.616 0.02 . 1 . . . . . 97 SER N . 27102 1 377 . 1 . 1 82 82 SER H H 1 8.432 0.00 . 1 . . . . . 98 SER H . 27102 1 378 . 1 . 1 82 82 SER C C 13 174.233 0.00 . 1 . . . . . 98 SER C . 27102 1 379 . 1 . 1 82 82 SER CA C 13 58.201 0.01 . 1 . . . . . 98 SER CA . 27102 1 380 . 1 . 1 82 82 SER CB C 13 63.566 0.00 . 1 . . . . . 98 SER CB . 27102 1 381 . 1 . 1 82 82 SER N N 15 117.352 0.01 . 1 . . . . . 98 SER N . 27102 1 382 . 1 . 1 83 83 GLN H H 1 8.453 0.00 . 1 . . . . . 99 GLN H . 27102 1 383 . 1 . 1 83 83 GLN C C 13 175.499 0.01 . 1 . . . . . 99 GLN C . 27102 1 384 . 1 . 1 83 83 GLN CA C 13 55.432 0.02 . 1 . . . . . 99 GLN CA . 27102 1 385 . 1 . 1 83 83 GLN CB C 13 29.446 0.00 . 1 . . . . . 99 GLN CB . 27102 1 386 . 1 . 1 83 83 GLN N N 15 122.078 0.01 . 1 . . . . . 99 GLN N . 27102 1 387 . 1 . 1 84 84 VAL H H 1 8.268 0.00 . 1 . . . . . 100 VAL H . 27102 1 388 . 1 . 1 84 84 VAL C C 13 174.151 0.00 . 1 . . . . . 100 VAL C . 27102 1 389 . 1 . 1 84 84 VAL CA C 13 59.880 0.00 . 1 . . . . . 100 VAL CA . 27102 1 390 . 1 . 1 84 84 VAL N N 15 123.108 0.01 . 1 . . . . . 100 VAL N . 27102 1 391 . 1 . 1 85 85 PRO C C 13 176.459 0.00 . 1 . . . . . 101 PRO C . 27102 1 392 . 1 . 1 85 85 PRO CA C 13 62.758 0.00 . 1 . . . . . 101 PRO CA . 27102 1 393 . 1 . 1 85 85 PRO CB C 13 32.139 0.00 . 1 . . . . . 101 PRO CB . 27102 1 394 . 1 . 1 86 86 LEU H H 1 8.487 0.00 . 1 . . . . . 102 LEU H . 27102 1 395 . 1 . 1 86 86 LEU C C 13 177.174 0.00 . 1 . . . . . 102 LEU C . 27102 1 396 . 1 . 1 86 86 LEU CA C 13 54.862 0.00 . 1 . . . . . 102 LEU CA . 27102 1 397 . 1 . 1 86 86 LEU CB C 13 42.39 0.00 . 1 . . . . . 102 LEU CB . 27102 1 398 . 1 . 1 86 86 LEU N N 15 122.956 0.05 . 1 . . . . . 102 LEU N . 27102 1 399 . 1 . 1 87 87 GLU H H 1 8.489 0.00 . 1 . . . . . 103 GLU H . 27102 1 400 . 1 . 1 87 87 GLU C C 13 173.690 0.00 . 1 . . . . . 103 GLU C . 27102 1 401 . 1 . 1 87 87 GLU N N 15 123.020 0.09 . 1 . . . . . 103 GLU N . 27102 1 402 . 1 . 1 90 90 LEU H H 1 8.313 0.00 . 1 . . . . . 106 LEU H . 27102 1 403 . 1 . 1 90 90 LEU C C 13 176.920 0.01 . 1 . . . . . 106 LEU C . 27102 1 404 . 1 . 1 90 90 LEU CA C 13 54.979 0.01 . 1 . . . . . 106 LEU CA . 27102 1 405 . 1 . 1 90 90 LEU CB C 13 42.139 0.05 . 1 . . . . . 106 LEU CB . 27102 1 406 . 1 . 1 90 90 LEU N N 15 123.068 0.00 . 1 . . . . . 106 LEU N . 27102 1 407 . 1 . 1 91 91 LEU H H 1 8.309 0.01 . 1 . . . . . 107 LEU H . 27102 1 408 . 1 . 1 91 91 LEU C C 13 175.175 0.00 . 1 . . . . . 107 LEU C . 27102 1 409 . 1 . 1 91 91 LEU CA C 13 57.362 0.02 . 1 . . . . . 107 LEU CA . 27102 1 410 . 1 . 1 91 91 LEU CB C 13 39.375 0.00 . 1 . . . . . 107 LEU CB . 27102 1 411 . 1 . 1 91 91 LEU N N 15 122.983 0.04 . 1 . . . . . 107 LEU N . 27102 1 412 . 1 . 1 92 92 PHE H H 1 8.260 0.00 . 1 . . . . . 108 PHE H . 27102 1 413 . 1 . 1 92 92 PHE C C 13 176.843 0.00 . 1 . . . . . 108 PHE C . 27102 1 414 . 1 . 1 92 92 PHE CA C 13 54.645 0.03 . 1 . . . . . 108 PHE CA . 27102 1 415 . 1 . 1 92 92 PHE CB C 13 42.441 0.00 . 1 . . . . . 108 PHE CB . 27102 1 416 . 1 . 1 92 92 PHE N N 15 123.684 0.02 . 1 . . . . . 108 PHE N . 27102 1 417 . 1 . 1 93 93 LEU H H 1 8.416 0.00 . 1 . . . . . 109 LEU H . 27102 1 418 . 1 . 1 93 93 LEU C C 13 176.274 0.00 . 1 . . . . . 109 LEU C . 27102 1 419 . 1 . 1 93 93 LEU CA C 13 52.081 0.07 . 1 . . . . . 109 LEU CA . 27102 1 420 . 1 . 1 93 93 LEU N N 15 124.852 0.03 . 1 . . . . . 109 LEU N . 27102 1 421 . 1 . 1 94 94 LEU H H 1 8.378 0.00 . 1 . . . . . 110 LEU H . 27102 1 422 . 1 . 1 94 94 LEU C C 13 174.262 0.00 . 1 . . . . . 110 LEU C . 27102 1 423 . 1 . 1 94 94 LEU N N 15 121.638 0.02 . 1 . . . . . 110 LEU N . 27102 1 424 . 1 . 1 95 95 GLU C C 13 176.468 0.00 . 1 . . . . . 111 GLU C . 27102 1 425 . 1 . 1 95 95 GLU CB C 13 29.867 0.00 . 1 . . . . . 111 GLU CB . 27102 1 426 . 1 . 1 96 96 GLU H H 1 8.447 0.00 . 1 . . . . . 112 GLU H . 27102 1 427 . 1 . 1 96 96 GLU C C 13 176.436 0.00 . 1 . . . . . 112 GLU C . 27102 1 428 . 1 . 1 96 96 GLU CB C 13 30.182 0.00 . 1 . . . . . 112 GLU CB . 27102 1 429 . 1 . 1 96 96 GLU N N 15 121.002 0.01 . 1 . . . . . 112 GLU N . 27102 1 430 . 1 . 1 97 97 TYR H H 1 8.283 0.00 . 1 . . . . . 113 TYR H . 27102 1 431 . 1 . 1 97 97 TYR C C 13 175.815 0.02 . 1 . . . . . 113 TYR C . 27102 1 432 . 1 . 1 97 97 TYR CA C 13 58.405 0.00 . 1 . . . . . 113 TYR CA . 27102 1 433 . 1 . 1 97 97 TYR CB C 13 38.216 0.00 . 1 . . . . . 113 TYR CB . 27102 1 434 . 1 . 1 97 97 TYR N N 15 121.129 0.07 . 1 . . . . . 113 TYR N . 27102 1 435 . 1 . 1 98 98 LYS H H 1 8.174 0.01 . 1 . . . . . 114 LYS H . 27102 1 436 . 1 . 1 98 98 LYS C C 13 175.966 0.01 . 1 . . . . . 114 LYS C . 27102 1 437 . 1 . 1 98 98 LYS CA C 13 56.600 0.06 . 1 . . . . . 114 LYS CA . 27102 1 438 . 1 . 1 98 98 LYS CB C 13 32.811 0.00 . 1 . . . . . 114 LYS CB . 27102 1 439 . 1 . 1 98 98 LYS N N 15 122.475 0.03 . 1 . . . . . 114 LYS N . 27102 1 440 . 1 . 1 99 99 ASN H H 1 8.332 0.00 . 1 . . . . . 115 ASN H . 27102 1 441 . 1 . 1 99 99 ASN C C 13 175.328 0.00 . 1 . . . . . 115 ASN C . 27102 1 442 . 1 . 1 99 99 ASN CA C 13 53.245 0.05 . 1 . . . . . 115 ASN CA . 27102 1 443 . 1 . 1 99 99 ASN CB C 13 38.410 0.00 . 1 . . . . . 115 ASN CB . 27102 1 444 . 1 . 1 99 99 ASN N N 15 118.838 0.03 . 1 . . . . . 115 ASN N . 27102 1 445 . 1 . 1 100 100 TYR H H 1 8.159 0.00 . 1 . . . . . 116 TYR H . 27102 1 446 . 1 . 1 100 100 TYR C C 13 175.839 0.00 . 1 . . . . . 116 TYR C . 27102 1 447 . 1 . 1 100 100 TYR CA C 13 58.472 0.01 . 1 . . . . . 116 TYR CA . 27102 1 448 . 1 . 1 100 100 TYR CB C 13 38.138 0.00 . 1 . . . . . 116 TYR CB . 27102 1 449 . 1 . 1 100 100 TYR N N 15 121.036 0.02 . 1 . . . . . 116 TYR N . 27102 1 450 . 1 . 1 101 101 LEU H H 1 8.137 0.00 . 1 . . . . . 117 LEU H . 27102 1 451 . 1 . 1 101 101 LEU C C 13 177.142 0.01 . 1 . . . . . 117 LEU C . 27102 1 452 . 1 . 1 101 101 LEU CA C 13 55.288 0.00 . 1 . . . . . 117 LEU CA . 27102 1 453 . 1 . 1 101 101 LEU N N 15 122.497 0.02 . 1 . . . . . 117 LEU N . 27102 1 454 . 1 . 1 102 102 ASP H H 1 8.233 0.00 . 1 . . . . . 118 ASP H . 27102 1 455 . 1 . 1 102 102 ASP C C 13 176.486 0.01 . 1 . . . . . 118 ASP C . 27102 1 456 . 1 . 1 102 102 ASP CA C 13 54.447 0.06 . 1 . . . . . 118 ASP CA . 27102 1 457 . 1 . 1 102 102 ASP CB C 13 40.897 0.00 . 1 . . . . . 118 ASP CB . 27102 1 458 . 1 . 1 102 102 ASP N N 15 120.606 0.02 . 1 . . . . . 118 ASP N . 27102 1 459 . 1 . 1 103 103 ALA H H 1 8.220 0.00 . 1 . . . . . 119 ALA H . 27102 1 460 . 1 . 1 103 103 ALA C C 13 178.161 0.00 . 1 . . . . . 119 ALA C . 27102 1 461 . 1 . 1 103 103 ALA CA C 13 53.300 0.03 . 1 . . . . . 119 ALA CA . 27102 1 462 . 1 . 1 103 103 ALA CB C 13 18.696 0.00 . 1 . . . . . 119 ALA CB . 27102 1 463 . 1 . 1 103 103 ALA N N 15 124.052 0.04 . 1 . . . . . 119 ALA N . 27102 1 464 . 1 . 1 104 104 ALA H H 1 8.285 0.00 . 1 . . . . . 120 ALA H . 27102 1 465 . 1 . 1 104 104 ALA C C 13 177.931 0.00 . 1 . . . . . 120 ALA C . 27102 1 466 . 1 . 1 104 104 ALA CA C 13 53.085 0.04 . 1 . . . . . 120 ALA CA . 27102 1 467 . 1 . 1 104 104 ALA CB C 13 18.546 0.00 . 1 . . . . . 120 ALA CB . 27102 1 468 . 1 . 1 104 104 ALA N N 15 121.351 0.03 . 1 . . . . . 120 ALA N . 27102 1 469 . 1 . 1 105 105 ASN H H 1 8.189 0.00 . 1 . . . . . 121 ASN H . 27102 1 470 . 1 . 1 105 105 ASN C C 13 175.626 0.00 . 1 . . . . . 121 ASN C . 27102 1 471 . 1 . 1 105 105 ASN CA C 13 53.396 0.04 . 1 . . . . . 121 ASN CA . 27102 1 472 . 1 . 1 105 105 ASN CB C 13 38.408 0.00 . 1 . . . . . 121 ASN CB . 27102 1 473 . 1 . 1 105 105 ASN N N 15 116.353 0.01 . 1 . . . . . 121 ASN N . 27102 1 474 . 1 . 1 106 106 MET H H 1 8.303 0.00 . 1 . . . . . 122 MET H . 27102 1 475 . 1 . 1 106 106 MET C C 13 176.642 0.01 . 1 . . . . . 122 MET C . 27102 1 476 . 1 . 1 106 106 MET CA C 13 55.799 0.02 . 1 . . . . . 122 MET CA . 27102 1 477 . 1 . 1 106 106 MET CB C 13 32.070 0.00 . 1 . . . . . 122 MET CB . 27102 1 478 . 1 . 1 106 106 MET N N 15 120.232 0.01 . 1 . . . . . 122 MET N . 27102 1 479 . 1 . 1 107 107 SER H H 1 8.361 0.00 . 1 . . . . . 123 SER H . 27102 1 480 . 1 . 1 107 107 SER C C 13 174.541 0.01 . 1 . . . . . 123 SER C . 27102 1 481 . 1 . 1 107 107 SER CA C 13 58.949 0.08 . 1 . . . . . 123 SER CA . 27102 1 482 . 1 . 1 107 107 SER CB C 13 63.514 0.00 . 1 . . . . . 123 SER CB . 27102 1 483 . 1 . 1 107 107 SER N N 15 115.897 0.01 . 1 . . . . . 123 SER N . 27102 1 484 . 1 . 1 108 108 MET H H 1 8.290 0.00 . 1 . . . . . 124 MET H . 27102 1 485 . 1 . 1 108 108 MET C C 13 176.438 0.01 . 1 . . . . . 124 MET C . 27102 1 486 . 1 . 1 108 108 MET CA C 13 55.306 0.00 . 1 . . . . . 124 MET CA . 27102 1 487 . 1 . 1 108 108 MET CB C 13 31.904 0.00 . 1 . . . . . 124 MET CB . 27102 1 488 . 1 . 1 108 108 MET N N 15 121.354 0.05 . 1 . . . . . 124 MET N . 27102 1 489 . 1 . 1 109 109 ARG H H 1 8.376 0.00 . 1 . . . . . 125 ARG H . 27102 1 490 . 1 . 1 109 109 ARG C C 13 175.959 0.01 . 1 . . . . . 125 ARG C . 27102 1 491 . 1 . 1 109 109 ARG CA C 13 55.631 0.00 . 1 . . . . . 125 ARG CA . 27102 1 492 . 1 . 1 109 109 ARG CB C 13 30.60 0.00 . 1 . . . . . 125 ARG CB . 27102 1 493 . 1 . 1 109 109 ARG N N 15 122.236 0.01 . 1 . . . . . 125 ARG N . 27102 1 494 . 1 . 1 110 110 VAL H H 1 8.272 0.01 . 1 . . . . . 126 VAL H . 27102 1 495 . 1 . 1 110 110 VAL C C 13 175.669 0.00 . 1 . . . . . 126 VAL C . 27102 1 496 . 1 . 1 110 110 VAL CA C 13 62.113 0.03 . 1 . . . . . 126 VAL CA . 27102 1 497 . 1 . 1 110 110 VAL CB C 13 32.704 0.00 . 1 . . . . . 126 VAL CB . 27102 1 498 . 1 . 1 110 110 VAL N N 15 121.901 0.08 . 1 . . . . . 126 VAL N . 27102 1 499 . 1 . 1 111 111 ARG H H 1 8.573 0.00 . 1 . . . . . 127 ARG H . 27102 1 500 . 1 . 1 111 111 ARG C C 13 175.062 0.01 . 1 . . . . . 127 ARG C . 27102 1 501 . 1 . 1 111 111 ARG CA C 13 55.859 0.02 . 1 . . . . . 127 ARG CA . 27102 1 502 . 1 . 1 111 111 ARG CB C 13 30.660 0.00 . 1 . . . . . 127 ARG CB . 27102 1 503 . 1 . 1 111 111 ARG N N 15 126.235 0.02 . 1 . . . . . 127 ARG N . 27102 1 504 . 1 . 1 112 112 ARG H H 1 8.258 0.00 . 1 . . . . . 128 ARG H . 27102 1 505 . 1 . 1 112 112 ARG C C 13 174.873 0.00 . 1 . . . . . 128 ARG C . 27102 1 506 . 1 . 1 112 112 ARG CA C 13 57.282 0.00 . 1 . . . . . 128 ARG CA . 27102 1 507 . 1 . 1 112 112 ARG N N 15 128.774 0.01 . 1 . . . . . 128 ARG N . 27102 1 stop_ save_