data_7203 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7203 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Determination of solution structure of Homeodomain-only protein (HOP)' 'Structure analysis' . 7203 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . homeodomain 7203 1 . 'NMR structure' 7203 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7203 _Entry.Title ; Backbone and sidechain 1H, 15N, and 13C chemical shift assignments for HOP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-07-03 _Entry.Accession_date 2006-07-03 _Entry.Last_release_date 2006-10-19 _Entry.Original_release_date 2006-10-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Joel Mackay . P. . 7203 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7203 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 143 7203 '15N chemical shifts' 68 7203 '1H chemical shifts' 460 7203 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 . . 2006-10-19 2006-07-03 original author . 7203 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7203 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16939210 _Citation.Full_citation . _Citation.Title 'Analysis of the structure and function of the transcriptional coregulator HOP.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 35 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 10584 _Citation.Page_last 10590 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Kook . . . 7203 1 2 W. Yung . W. . 7203 1 3 R. Simpson . J. . 7203 1 4 H. Kee . J. . 7203 1 5 S. Shin . . . 7203 1 6 J. Lowry . A. . 7203 1 7 F. Loughlin . E. . 7203 1 8 Z. Yin . . . 7203 1 9 J. Epstein . A. . 7203 1 10 Joel Mackay . P. . 7203 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID homeodomain 7203 1 HOP 7203 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7203 _Assembly.ID 1 _Assembly.Name HOP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'full-length HOP' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7203 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HOP 1 $HOP . . yes native no no . . . 7203 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Transcriptional repressor' 7203 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HOP _Entity.Sf_category entity _Entity.Sf_framecode HOP _Entity.Entry_ID 7203 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HOP _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 ; GSHMSAQTVSGPTEDQVEIL EYNFNKVNKHPDPTTLCLIA AEAGLTEEQTQKWFKQRLAE WRRSEGLPSECRSVTD ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1UHS . "Solution Structure Of Mouse Homeodomain-Only Protein Hop" . . . . . 84.21 72 100.00 100.00 1.85e-39 . . . . 7203 1 2 no PDB 2HI3 . "Solution Structure Of The Homeodomain-Only Protein Hop" . . . . . 96.05 73 100.00 100.00 2.63e-46 . . . . 7203 1 3 no DBJ BAC25054 . "unnamed protein product [Mus musculus]" . . . . . 96.05 73 98.63 98.63 1.19e-45 . . . . 7203 1 4 no DBJ BAC25097 . "unnamed protein product [Mus musculus]" . . . . . 96.05 73 98.63 98.63 1.19e-45 . . . . 7203 1 5 no DBJ BAC25214 . "unnamed protein product [Mus musculus]" . . . . . 96.05 73 98.63 98.63 1.19e-45 . . . . 7203 1 6 no DBJ BAC25219 . "unnamed protein product [Mus musculus]" . . . . . 96.05 73 98.63 98.63 1.19e-45 . . . . 7203 1 7 no DBJ BAC25235 . "unnamed protein product [Mus musculus]" . . . . . 96.05 73 98.63 98.63 3.50e-45 . . . . 7203 1 8 no GB AAH24546 . "Hopx protein [Mus musculus]" . . . . . 96.05 73 98.63 98.63 1.19e-45 . . . . 7203 1 9 no GB AAH70950 . "HOP homeobox [Rattus norvegicus]" . . . . . 96.05 73 98.63 98.63 1.19e-45 . . . . 7203 1 10 no GB AAL85327 . "global ischemia induced gene GIIG15B [Rattus norvegicus]" . . . . . 96.05 73 98.63 98.63 3.99e-45 . . . . 7203 1 11 no GB AAM46823 . "odd homeobox 1 protein [Mus musculus]" . . . . . 96.05 73 98.63 98.63 1.19e-45 . . . . 7203 1 12 no GB AAM46824 . "odd homeobox 1 protein [Mus musculus]" . . . . . 96.05 73 98.63 98.63 1.19e-45 . . . . 7203 1 13 no REF NP_001153372 . "homeodomain-only protein [Mus musculus]" . . . . . 96.05 73 98.63 98.63 1.19e-45 . . . . 7203 1 14 no REF NP_001153373 . "homeodomain-only protein [Mus musculus]" . . . . . 96.05 73 98.63 98.63 1.19e-45 . . . . 7203 1 15 no REF NP_598305 . "homeodomain-only protein [Rattus norvegicus]" . . . . . 96.05 73 98.63 98.63 1.19e-45 . . . . 7203 1 16 no REF NP_783199 . "homeodomain-only protein [Mus musculus]" . . . . . 96.05 73 98.63 98.63 1.19e-45 . . . . 7203 1 17 no SP Q78ZR5 . "RecName: Full=Homeodomain-only protein; AltName: Full=Global ischemia-induced gene 15B protein; Short=GIIg15b; AltName: Full=Od" . . . . . 96.05 73 98.63 98.63 1.19e-45 . . . . 7203 1 18 no SP Q8R1H0 . "RecName: Full=Homeodomain-only protein; AltName: Full=Homeobox-only protein; AltName: Full=Odd homeobox protein 1; Short=mOB1 [" . . . . . 96.05 73 98.63 98.63 1.19e-45 . . . . 7203 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 7203 1 2 . SER . 7203 1 3 . HIS . 7203 1 4 . MET . 7203 1 5 . SER . 7203 1 6 . ALA . 7203 1 7 . GLN . 7203 1 8 . THR . 7203 1 9 . VAL . 7203 1 10 . SER . 7203 1 11 . GLY . 7203 1 12 . PRO . 7203 1 13 . THR . 7203 1 14 . GLU . 7203 1 15 . ASP . 7203 1 16 . GLN . 7203 1 17 . VAL . 7203 1 18 . GLU . 7203 1 19 . ILE . 7203 1 20 . LEU . 7203 1 21 . GLU . 7203 1 22 . TYR . 7203 1 23 . ASN . 7203 1 24 . PHE . 7203 1 25 . ASN . 7203 1 26 . LYS . 7203 1 27 . VAL . 7203 1 28 . ASN . 7203 1 29 . LYS . 7203 1 30 . HIS . 7203 1 31 . PRO . 7203 1 32 . ASP . 7203 1 33 . PRO . 7203 1 34 . THR . 7203 1 35 . THR . 7203 1 36 . LEU . 7203 1 37 . CYS . 7203 1 38 . LEU . 7203 1 39 . ILE . 7203 1 40 . ALA . 7203 1 41 . ALA . 7203 1 42 . GLU . 7203 1 43 . ALA . 7203 1 44 . GLY . 7203 1 45 . LEU . 7203 1 46 . THR . 7203 1 47 . GLU . 7203 1 48 . GLU . 7203 1 49 . GLN . 7203 1 50 . THR . 7203 1 51 . GLN . 7203 1 52 . LYS . 7203 1 53 . TRP . 7203 1 54 . PHE . 7203 1 55 . LYS . 7203 1 56 . GLN . 7203 1 57 . ARG . 7203 1 58 . LEU . 7203 1 59 . ALA . 7203 1 60 . GLU . 7203 1 61 . TRP . 7203 1 62 . ARG . 7203 1 63 . ARG . 7203 1 64 . SER . 7203 1 65 . GLU . 7203 1 66 . GLY . 7203 1 67 . LEU . 7203 1 68 . PRO . 7203 1 69 . SER . 7203 1 70 . GLU . 7203 1 71 . CYS . 7203 1 72 . ARG . 7203 1 73 . SER . 7203 1 74 . VAL . 7203 1 75 . THR . 7203 1 76 . ASP . 7203 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 7203 1 . SER 2 2 7203 1 . HIS 3 3 7203 1 . MET 4 4 7203 1 . SER 5 5 7203 1 . ALA 6 6 7203 1 . GLN 7 7 7203 1 . THR 8 8 7203 1 . VAL 9 9 7203 1 . SER 10 10 7203 1 . GLY 11 11 7203 1 . PRO 12 12 7203 1 . THR 13 13 7203 1 . GLU 14 14 7203 1 . ASP 15 15 7203 1 . GLN 16 16 7203 1 . VAL 17 17 7203 1 . GLU 18 18 7203 1 . ILE 19 19 7203 1 . LEU 20 20 7203 1 . GLU 21 21 7203 1 . TYR 22 22 7203 1 . ASN 23 23 7203 1 . PHE 24 24 7203 1 . ASN 25 25 7203 1 . LYS 26 26 7203 1 . VAL 27 27 7203 1 . ASN 28 28 7203 1 . LYS 29 29 7203 1 . HIS 30 30 7203 1 . PRO 31 31 7203 1 . ASP 32 32 7203 1 . PRO 33 33 7203 1 . THR 34 34 7203 1 . THR 35 35 7203 1 . LEU 36 36 7203 1 . CYS 37 37 7203 1 . LEU 38 38 7203 1 . ILE 39 39 7203 1 . ALA 40 40 7203 1 . ALA 41 41 7203 1 . GLU 42 42 7203 1 . ALA 43 43 7203 1 . GLY 44 44 7203 1 . LEU 45 45 7203 1 . THR 46 46 7203 1 . GLU 47 47 7203 1 . GLU 48 48 7203 1 . GLN 49 49 7203 1 . THR 50 50 7203 1 . GLN 51 51 7203 1 . LYS 52 52 7203 1 . TRP 53 53 7203 1 . PHE 54 54 7203 1 . LYS 55 55 7203 1 . GLN 56 56 7203 1 . ARG 57 57 7203 1 . LEU 58 58 7203 1 . ALA 59 59 7203 1 . GLU 60 60 7203 1 . TRP 61 61 7203 1 . ARG 62 62 7203 1 . ARG 63 63 7203 1 . SER 64 64 7203 1 . GLU 65 65 7203 1 . GLY 66 66 7203 1 . LEU 67 67 7203 1 . PRO 68 68 7203 1 . SER 69 69 7203 1 . GLU 70 70 7203 1 . CYS 71 71 7203 1 . ARG 72 72 7203 1 . SER 73 73 7203 1 . VAL 74 74 7203 1 . THR 75 75 7203 1 . ASP 76 76 7203 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 7203 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $HOP . 10090 organism yes 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 7203 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 7203 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $HOP . 'recombinant technology' . 'E. coli' 'E. coli BL21' . . . . . . . . . . . . . . . . . . . . . . . . . . 7203 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7203 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 50 mM phosphate buffer, pH 7 0.5 mM TCEP ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HOP . . . 1 $HOP . . 1 . . mM 0.2 . . . 7203 1 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 7203 1 3 TCEP . . . . . . . 0.5 . . mM . . . . 7203 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7203 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 50 mM phosphate 0.5 mM TCEP pH 6.7 298 K ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.7 0.1 pH 7203 1 temperature 298 0.2 K 7203 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7203 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7203 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7203 1 2 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7203 1 3 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7203 1 4 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7203 1 5 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7203 1 6 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7203 1 7 HCCH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7203 1 8 15N-separated no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7203 1 9 NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7203 1 10 TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7203 1 11 DQF-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7203 1 12 HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7203 1 stop_ save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 7203 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CO)CA _NMR_spec_expt.Entry_ID 7203 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7203 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 7203 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 7203 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 7203 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-COSY _NMR_spec_expt.Entry_ID 7203 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N-separated _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-separated _NMR_spec_expt.Entry_ID 7203 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 15N-separated _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NOESY _NMR_spec_expt.Entry_ID 7203 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TOCSY _NMR_spec_expt.Entry_ID 7203 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_DQF-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode DQF-COSY _NMR_spec_expt.Entry_ID 7203 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name DQF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNHA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNHA _NMR_spec_expt.Entry_ID 7203 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7203 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7203 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7203 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7203 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7203 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'No stereospecific assignments are made. Ambiguity values should be assigned on that basis.' _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 $sample_1 isotropic 7203 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 MET CA C 13 55.537 0.000 . . . . . . 1 MET CA . 7203 1 2 . 1 1 4 4 MET CB C 13 32.964 0.000 . . . . . . 1 MET CB . 7203 1 3 . 1 1 5 5 SER H H 1 8.401 0.000 . . . . . . 2 SER H . 7203 1 4 . 1 1 5 5 SER CA C 13 58.365 0.114 . . . . . . 2 SER CA . 7203 1 5 . 1 1 5 5 SER CB C 13 63.692 0.031 . . . . . . 2 SER CB . 7203 1 6 . 1 1 5 5 SER N N 15 117.575 0.000 . . . . . . 2 SER N . 7203 1 7 . 1 1 6 6 ALA H H 1 8.390 0.000 . . . . . . 3 ALA H . 7203 1 8 . 1 1 6 6 ALA HA H 1 4.339 0.002 . . . . . . 3 ALA HA . 7203 1 9 . 1 1 6 6 ALA HB1 H 1 1.406 0.003 . . . . . . 3 ALA HB . 7203 1 10 . 1 1 6 6 ALA HB2 H 1 1.406 0.003 . . . . . . 3 ALA HB . 7203 1 11 . 1 1 6 6 ALA HB3 H 1 1.406 0.003 . . . . . . 3 ALA HB . 7203 1 12 . 1 1 6 6 ALA CA C 13 52.584 0.092 . . . . . . 3 ALA CA . 7203 1 13 . 1 1 6 6 ALA CB C 13 19.187 0.028 . . . . . . 3 ALA CB . 7203 1 14 . 1 1 6 6 ALA N N 15 125.975 0.000 . . . . . . 3 ALA N . 7203 1 15 . 1 1 7 7 GLN H H 1 8.356 0.005 . . . . . . 4 GLN H . 7203 1 16 . 1 1 7 7 GLN HA H 1 4.373 0.006 . . . . . . 4 GLN HA . 7203 1 17 . 1 1 7 7 GLN HB2 H 1 2.124 0.004 . . . . . . 4 GLN HB2 . 7203 1 18 . 1 1 7 7 GLN HB3 H 1 1.995 0.003 . . . . . . 4 GLN HB3 . 7203 1 19 . 1 1 7 7 GLN HG2 H 1 2.376 0.006 . . . . . . 4 GLN HG2 . 7203 1 20 . 1 1 7 7 GLN CA C 13 55.900 0.124 . . . . . . 4 GLN CA . 7203 1 21 . 1 1 7 7 GLN CB C 13 29.427 0.039 . . . . . . 4 GLN CB . 7203 1 22 . 1 1 7 7 GLN N N 15 119.335 0.000 . . . . . . 4 GLN N . 7203 1 23 . 1 1 8 8 THR H H 1 8.212 0.000 . . . . . . 5 THR H . 7203 1 24 . 1 1 8 8 THR HA H 1 4.358 0.001 . . . . . . 5 THR HA . 7203 1 25 . 1 1 8 8 THR HB H 1 4.200 0.002 . . . . . . 5 THR HB . 7203 1 26 . 1 1 8 8 THR HG21 H 1 1.205 0.006 . . . . . . 5 THR HG2 . 7203 1 27 . 1 1 8 8 THR HG22 H 1 1.205 0.006 . . . . . . 5 THR HG2 . 7203 1 28 . 1 1 8 8 THR HG23 H 1 1.205 0.006 . . . . . . 5 THR HG2 . 7203 1 29 . 1 1 8 8 THR CA C 13 62.065 0.010 . . . . . . 5 THR CA . 7203 1 30 . 1 1 8 8 THR CB C 13 69.842 0.161 . . . . . . 5 THR CB . 7203 1 31 . 1 1 8 8 THR N N 15 116.071 0.000 . . . . . . 5 THR N . 7203 1 32 . 1 1 9 9 VAL H H 1 8.233 0.001 . . . . . . 6 VAL H . 7203 1 33 . 1 1 9 9 VAL HA H 1 4.244 0.000 . . . . . . 6 VAL HA . 7203 1 34 . 1 1 9 9 VAL HB H 1 2.129 0.000 . . . . . . 6 VAL HB . 7203 1 35 . 1 1 9 9 VAL HG11 H 1 0.949 0.000 . . . . . . 6 VAL HG1 . 7203 1 36 . 1 1 9 9 VAL HG12 H 1 0.949 0.000 . . . . . . 6 VAL HG1 . 7203 1 37 . 1 1 9 9 VAL HG13 H 1 0.949 0.000 . . . . . . 6 VAL HG1 . 7203 1 38 . 1 1 9 9 VAL HG21 H 1 0.949 0.000 . . . . . . 6 VAL HG2 . 7203 1 39 . 1 1 9 9 VAL HG22 H 1 0.949 0.000 . . . . . . 6 VAL HG2 . 7203 1 40 . 1 1 9 9 VAL HG23 H 1 0.949 0.000 . . . . . . 6 VAL HG2 . 7203 1 41 . 1 1 9 9 VAL CA C 13 61.981 0.153 . . . . . . 6 VAL CA . 7203 1 42 . 1 1 9 9 VAL CB C 13 32.788 0.017 . . . . . . 6 VAL CB . 7203 1 43 . 1 1 9 9 VAL N N 15 122.373 0.000 . . . . . . 6 VAL N . 7203 1 44 . 1 1 10 10 SER H H 1 8.472 0.000 . . . . . . 7 SER H . 7203 1 45 . 1 1 10 10 SER HA H 1 4.519 0.001 . . . . . . 7 SER HA . 7203 1 46 . 1 1 10 10 SER HB2 H 1 3.876 0.002 . . . . . . 7 SER HB2 . 7203 1 47 . 1 1 10 10 SER CA C 13 58.399 0.000 . . . . . . 7 SER CA . 7203 1 48 . 1 1 10 10 SER CB C 13 63.963 0.080 . . . . . . 7 SER CB . 7203 1 49 . 1 1 10 10 SER N N 15 119.896 0.000 . . . . . . 7 SER N . 7203 1 50 . 1 1 11 11 GLY H H 1 8.255 0.001 . . . . . . 8 GLY H . 7203 1 51 . 1 1 11 11 GLY HA2 H 1 4.089 0.003 . . . . . . 8 GLY HA2 . 7203 1 52 . 1 1 11 11 GLY HA3 H 1 4.230 0.000 . . . . . . 8 GLY HA3 . 7203 1 53 . 1 1 11 11 GLY CA C 13 44.489 0.000 . . . . . . 8 GLY CA . 7203 1 54 . 1 1 11 11 GLY N N 15 110.689 0.000 . . . . . . 8 GLY N . 7203 1 55 . 1 1 12 12 PRO HA H 1 4.623 0.004 . . . . . . 9 PRO HA . 7203 1 56 . 1 1 12 12 PRO HB2 H 1 1.973 0.005 . . . . . . 9 PRO HB2 . 7203 1 57 . 1 1 12 12 PRO HB3 H 1 1.871 0.003 . . . . . . 9 PRO HB3 . 7203 1 58 . 1 1 12 12 PRO HG2 H 1 1.911 0.000 . . . . . . 9 PRO HG2 . 7203 1 59 . 1 1 12 12 PRO HG3 H 1 1.728 0.000 . . . . . . 9 PRO HG3 . 7203 1 60 . 1 1 12 12 PRO HD2 H 1 3.685 0.005 . . . . . . 9 PRO HD2 . 7203 1 61 . 1 1 12 12 PRO HD3 H 1 3.685 0.005 . . . . . . 9 PRO HD3 . 7203 1 62 . 1 1 12 12 PRO CA C 13 62.134 0.000 . . . . . . 9 PRO CA . 7203 1 63 . 1 1 12 12 PRO CB C 13 32.010 0.000 . . . . . . 9 PRO CB . 7203 1 64 . 1 1 13 13 THR H H 1 9.233 0.000 . . . . . . 10 THR H . 7203 1 65 . 1 1 13 13 THR HA H 1 4.424 0.000 . . . . . . 10 THR HA . 7203 1 66 . 1 1 13 13 THR HB H 1 4.750 0.001 . . . . . . 10 THR HB . 7203 1 67 . 1 1 13 13 THR HG21 H 1 1.350 0.003 . . . . . . 10 THR HG2 . 7203 1 68 . 1 1 13 13 THR HG22 H 1 1.350 0.003 . . . . . . 10 THR HG2 . 7203 1 69 . 1 1 13 13 THR HG23 H 1 1.350 0.003 . . . . . . 10 THR HG2 . 7203 1 70 . 1 1 13 13 THR CA C 13 60.902 0.119 . . . . . . 10 THR CA . 7203 1 71 . 1 1 13 13 THR CB C 13 70.798 0.079 . . . . . . 10 THR CB . 7203 1 72 . 1 1 13 13 THR N N 15 114.827 0.000 . . . . . . 10 THR N . 7203 1 73 . 1 1 14 14 GLU H H 1 9.213 0.004 . . . . . . 11 GLU H . 7203 1 74 . 1 1 14 14 GLU HA H 1 3.961 0.005 . . . . . . 11 GLU HA . 7203 1 75 . 1 1 14 14 GLU HB2 H 1 2.093 0.008 . . . . . . 11 GLU HB2 . 7203 1 76 . 1 1 14 14 GLU HG2 H 1 2.407 0.003 . . . . . . 11 GLU HG2 . 7203 1 77 . 1 1 14 14 GLU CA C 13 60.579 0.035 . . . . . . 11 GLU CA . 7203 1 78 . 1 1 14 14 GLU CB C 13 29.090 0.021 . . . . . . 11 GLU CB . 7203 1 79 . 1 1 14 14 GLU N N 15 120.883 0.000 . . . . . . 11 GLU N . 7203 1 80 . 1 1 15 15 ASP H H 1 8.465 0.002 . . . . . . 12 ASP H . 7203 1 81 . 1 1 15 15 ASP HA H 1 4.384 0.003 . . . . . . 12 ASP HA . 7203 1 82 . 1 1 15 15 ASP HB2 H 1 2.672 0.006 . . . . . . 12 ASP HB2 . 7203 1 83 . 1 1 15 15 ASP HB3 H 1 2.495 0.005 . . . . . . 12 ASP HB3 . 7203 1 84 . 1 1 15 15 ASP CA C 13 56.685 0.035 . . . . . . 12 ASP CA . 7203 1 85 . 1 1 15 15 ASP CB C 13 40.147 0.049 . . . . . . 12 ASP CB . 7203 1 86 . 1 1 15 15 ASP N N 15 117.255 0.000 . . . . . . 12 ASP N . 7203 1 87 . 1 1 16 16 GLN H H 1 7.437 0.000 . . . . . . 13 GLN H . 7203 1 88 . 1 1 16 16 GLN HA H 1 3.926 0.008 . . . . . . 13 GLN HA . 7203 1 89 . 1 1 16 16 GLN HB2 H 1 2.461 0.000 . . . . . . 13 GLN HB2 . 7203 1 90 . 1 1 16 16 GLN HG2 H 1 2.781 0.006 . . . . . . 13 GLN HG2 . 7203 1 91 . 1 1 16 16 GLN HG3 H 1 2.465 0.004 . . . . . . 13 GLN HG3 . 7203 1 92 . 1 1 16 16 GLN HE21 H 1 7.612 0.001 . . . . . . 13 GLN HE21 . 7203 1 93 . 1 1 16 16 GLN HE22 H 1 6.456 0.002 . . . . . . 13 GLN HE22 . 7203 1 94 . 1 1 16 16 GLN CA C 13 59.035 0.079 . . . . . . 13 GLN CA . 7203 1 95 . 1 1 16 16 GLN CB C 13 29.109 0.040 . . . . . . 13 GLN CB . 7203 1 96 . 1 1 16 16 GLN N N 15 119.349 0.000 . . . . . . 13 GLN N . 7203 1 97 . 1 1 17 17 VAL H H 1 8.636 0.003 . . . . . . 14 VAL H . 7203 1 98 . 1 1 17 17 VAL HA H 1 3.092 0.003 . . . . . . 14 VAL HA . 7203 1 99 . 1 1 17 17 VAL HB H 1 2.107 0.008 . . . . . . 14 VAL HB . 7203 1 100 . 1 1 17 17 VAL HG11 H 1 1.075 0.008 . . . . . . 14 VAL HG1 . 7203 1 101 . 1 1 17 17 VAL HG12 H 1 1.075 0.008 . . . . . . 14 VAL HG1 . 7203 1 102 . 1 1 17 17 VAL HG13 H 1 1.075 0.008 . . . . . . 14 VAL HG1 . 7203 1 103 . 1 1 17 17 VAL HG21 H 1 0.953 0.007 . . . . . . 14 VAL HG2 . 7203 1 104 . 1 1 17 17 VAL HG22 H 1 0.953 0.007 . . . . . . 14 VAL HG2 . 7203 1 105 . 1 1 17 17 VAL HG23 H 1 0.953 0.007 . . . . . . 14 VAL HG2 . 7203 1 106 . 1 1 17 17 VAL CA C 13 66.775 0.049 . . . . . . 14 VAL CA . 7203 1 107 . 1 1 17 17 VAL CB C 13 31.153 0.017 . . . . . . 14 VAL CB . 7203 1 108 . 1 1 17 17 VAL N N 15 119.653 0.000 . . . . . . 14 VAL N . 7203 1 109 . 1 1 18 18 GLU H H 1 7.687 0.000 . . . . . . 15 GLU H . 7203 1 110 . 1 1 18 18 GLU HA H 1 4.007 0.004 . . . . . . 15 GLU HA . 7203 1 111 . 1 1 18 18 GLU HB2 H 1 1.891 0.000 . . . . . . 15 GLU HB2 . 7203 1 112 . 1 1 18 18 GLU HG2 H 1 2.447 0.001 . . . . . . 15 GLU HG2 . 7203 1 113 . 1 1 18 18 GLU HG3 H 1 2.273 0.003 . . . . . . 15 GLU HG3 . 7203 1 114 . 1 1 18 18 GLU CA C 13 59.959 0.131 . . . . . . 15 GLU CA . 7203 1 115 . 1 1 18 18 GLU CB C 13 29.365 0.057 . . . . . . 15 GLU CB . 7203 1 116 . 1 1 18 18 GLU N N 15 117.977 0.000 . . . . . . 15 GLU N . 7203 1 117 . 1 1 19 19 ILE H H 1 6.992 0.004 . . . . . . 16 ILE H . 7203 1 118 . 1 1 19 19 ILE HA H 1 3.836 0.001 . . . . . . 16 ILE HA . 7203 1 119 . 1 1 19 19 ILE HB H 1 1.917 0.004 . . . . . . 16 ILE HB . 7203 1 120 . 1 1 19 19 ILE HG12 H 1 1.725 0.002 . . . . . . 16 ILE HG12 . 7203 1 121 . 1 1 19 19 ILE HG13 H 1 1.117 0.006 . . . . . . 16 ILE HG13 . 7203 1 122 . 1 1 19 19 ILE HG21 H 1 0.788 0.005 . . . . . . 16 ILE HG2 . 7203 1 123 . 1 1 19 19 ILE HG22 H 1 0.788 0.005 . . . . . . 16 ILE HG2 . 7203 1 124 . 1 1 19 19 ILE HG23 H 1 0.788 0.005 . . . . . . 16 ILE HG2 . 7203 1 125 . 1 1 19 19 ILE HD11 H 1 0.852 0.004 . . . . . . 16 ILE HD1 . 7203 1 126 . 1 1 19 19 ILE HD12 H 1 0.852 0.004 . . . . . . 16 ILE HD1 . 7203 1 127 . 1 1 19 19 ILE HD13 H 1 0.852 0.004 . . . . . . 16 ILE HD1 . 7203 1 128 . 1 1 19 19 ILE CA C 13 64.439 0.000 . . . . . . 16 ILE CA . 7203 1 129 . 1 1 19 19 ILE CB C 13 38.767 0.080 . . . . . . 16 ILE CB . 7203 1 130 . 1 1 19 19 ILE N N 15 119.885 0.000 . . . . . . 16 ILE N . 7203 1 131 . 1 1 20 20 LEU H H 1 7.886 0.003 . . . . . . 17 LEU H . 7203 1 132 . 1 1 20 20 LEU HA H 1 3.517 0.002 . . . . . . 17 LEU HA . 7203 1 133 . 1 1 20 20 LEU HB2 H 1 0.536 0.010 . . . . . . 17 LEU HB2 . 7203 1 134 . 1 1 20 20 LEU HB3 H 1 -0.620 0.004 . . . . . . 17 LEU HB3 . 7203 1 135 . 1 1 20 20 LEU HG H 1 1.239 0.003 . . . . . . 17 LEU HG . 7203 1 136 . 1 1 20 20 LEU HD11 H 1 0.503 0.005 . . . . . . 17 LEU HD1 . 7203 1 137 . 1 1 20 20 LEU HD12 H 1 0.503 0.005 . . . . . . 17 LEU HD1 . 7203 1 138 . 1 1 20 20 LEU HD13 H 1 0.503 0.005 . . . . . . 17 LEU HD1 . 7203 1 139 . 1 1 20 20 LEU HD21 H 1 -0.321 0.008 . . . . . . 17 LEU HD2 . 7203 1 140 . 1 1 20 20 LEU HD22 H 1 -0.321 0.008 . . . . . . 17 LEU HD2 . 7203 1 141 . 1 1 20 20 LEU HD23 H 1 -0.321 0.008 . . . . . . 17 LEU HD2 . 7203 1 142 . 1 1 20 20 LEU CA C 13 58.618 0.019 . . . . . . 17 LEU CA . 7203 1 143 . 1 1 20 20 LEU CB C 13 37.573 0.002 . . . . . . 17 LEU CB . 7203 1 144 . 1 1 20 20 LEU N N 15 124.890 0.000 . . . . . . 17 LEU N . 7203 1 145 . 1 1 21 21 GLU H H 1 9.086 0.002 . . . . . . 18 GLU H . 7203 1 146 . 1 1 21 21 GLU HA H 1 4.323 0.002 . . . . . . 18 GLU HA . 7203 1 147 . 1 1 21 21 GLU HB2 H 1 1.984 0.003 . . . . . . 18 GLU HB2 . 7203 1 148 . 1 1 21 21 GLU HG2 H 1 2.474 0.003 . . . . . . 18 GLU HG2 . 7203 1 149 . 1 1 21 21 GLU HG3 H 1 2.247 0.004 . . . . . . 18 GLU HG3 . 7203 1 150 . 1 1 21 21 GLU CA C 13 58.954 0.080 . . . . . . 18 GLU CA . 7203 1 151 . 1 1 21 21 GLU CB C 13 29.467 0.000 . . . . . . 18 GLU CB . 7203 1 152 . 1 1 21 21 GLU N N 15 119.899 0.000 . . . . . . 18 GLU N . 7203 1 153 . 1 1 22 22 TYR H H 1 8.050 0.001 . . . . . . 19 TYR H . 7203 1 154 . 1 1 22 22 TYR HA H 1 4.264 0.000 . . . . . . 19 TYR HA . 7203 1 155 . 1 1 22 22 TYR HB2 H 1 3.298 0.005 . . . . . . 19 TYR HB2 . 7203 1 156 . 1 1 22 22 TYR HB3 H 1 3.173 0.002 . . . . . . 19 TYR HB3 . 7203 1 157 . 1 1 22 22 TYR HD1 H 1 7.066 0.002 . . . . . . 19 TYR HD1 . 7203 1 158 . 1 1 22 22 TYR HE1 H 1 6.753 0.002 . . . . . . 19 TYR HE1 . 7203 1 159 . 1 1 22 22 TYR CA C 13 61.419 0.080 . . . . . . 19 TYR CA . 7203 1 160 . 1 1 22 22 TYR CB C 13 37.932 0.040 . . . . . . 19 TYR CB . 7203 1 161 . 1 1 22 22 TYR N N 15 120.507 0.000 . . . . . . 19 TYR N . 7203 1 162 . 1 1 23 23 ASN H H 1 7.962 0.000 . . . . . . 20 ASN H . 7203 1 163 . 1 1 23 23 ASN HA H 1 4.138 0.004 . . . . . . 20 ASN HA . 7203 1 164 . 1 1 23 23 ASN HB2 H 1 3.055 0.004 . . . . . . 20 ASN HB2 . 7203 1 165 . 1 1 23 23 ASN HB3 H 1 2.610 0.003 . . . . . . 20 ASN HB3 . 7203 1 166 . 1 1 23 23 ASN HD21 H 1 7.511 0.003 . . . . . . 20 ASN HD21 . 7203 1 167 . 1 1 23 23 ASN HD22 H 1 7.826 0.002 . . . . . . 20 ASN HD22 . 7203 1 168 . 1 1 23 23 ASN CA C 13 57.666 0.062 . . . . . . 20 ASN CA . 7203 1 169 . 1 1 23 23 ASN CB C 13 40.772 0.060 . . . . . . 20 ASN CB . 7203 1 170 . 1 1 23 23 ASN N N 15 117.518 0.000 . . . . . . 20 ASN N . 7203 1 171 . 1 1 24 24 PHE H H 1 9.269 0.000 . . . . . . 21 PHE H . 7203 1 172 . 1 1 24 24 PHE HA H 1 4.283 0.003 . . . . . . 21 PHE HA . 7203 1 173 . 1 1 24 24 PHE HB2 H 1 3.243 0.002 . . . . . . 21 PHE HB2 . 7203 1 174 . 1 1 24 24 PHE HB3 H 1 3.180 0.005 . . . . . . 21 PHE HB3 . 7203 1 175 . 1 1 24 24 PHE HD1 H 1 7.139 0.004 . . . . . . 21 PHE HD1 . 7203 1 176 . 1 1 24 24 PHE HE1 H 1 7.004 0.004 . . . . . . 21 PHE HE1 . 7203 1 177 . 1 1 24 24 PHE HZ H 1 6.696 0.004 . . . . . . 21 PHE HZ . 7203 1 178 . 1 1 24 24 PHE CA C 13 61.866 0.050 . . . . . . 21 PHE CA . 7203 1 179 . 1 1 24 24 PHE CB C 13 39.236 0.007 . . . . . . 21 PHE CB . 7203 1 180 . 1 1 24 24 PHE N N 15 122.633 0.000 . . . . . . 21 PHE N . 7203 1 181 . 1 1 25 25 ASN H H 1 8.239 0.000 . . . . . . 22 ASN H . 7203 1 182 . 1 1 25 25 ASN HA H 1 4.210 0.002 . . . . . . 22 ASN HA . 7203 1 183 . 1 1 25 25 ASN HB2 H 1 2.817 0.006 . . . . . . 22 ASN HB2 . 7203 1 184 . 1 1 25 25 ASN HB3 H 1 2.665 0.003 . . . . . . 22 ASN HB3 . 7203 1 185 . 1 1 25 25 ASN HD21 H 1 7.629 0.001 . . . . . . 22 ASN HD21 . 7203 1 186 . 1 1 25 25 ASN HD22 H 1 7.248 0.001 . . . . . . 22 ASN HD22 . 7203 1 187 . 1 1 25 25 ASN CA C 13 55.458 0.000 . . . . . . 22 ASN CA . 7203 1 188 . 1 1 25 25 ASN CB C 13 44.489 0.000 . . . . . . 22 ASN CB . 7203 1 189 . 1 1 25 25 ASN N N 15 112.063 0.000 . . . . . . 22 ASN N . 7203 1 190 . 1 1 26 26 LYS H H 1 8.213 0.001 . . . . . . 23 LYS H . 7203 1 191 . 1 1 26 26 LYS HA H 1 4.282 0.001 . . . . . . 23 LYS HA . 7203 1 192 . 1 1 26 26 LYS HB2 H 1 1.578 0.007 . . . . . . 23 LYS HB2 . 7203 1 193 . 1 1 26 26 LYS HB3 H 1 1.303 0.005 . . . . . . 23 LYS HB3 . 7203 1 194 . 1 1 26 26 LYS HG2 H 1 1.226 0.000 . . . . . . 23 LYS HG2 . 7203 1 195 . 1 1 26 26 LYS HG3 H 1 1.156 0.003 . . . . . . 23 LYS HG3 . 7203 1 196 . 1 1 26 26 LYS HD2 H 1 1.483 0.005 . . . . . . 23 LYS HD2 . 7203 1 197 . 1 1 26 26 LYS HZ1 H 1 2.902 0.000 . . . . . . 23 LYS HZ . 7203 1 198 . 1 1 26 26 LYS HZ2 H 1 2.902 0.000 . . . . . . 23 LYS HZ . 7203 1 199 . 1 1 26 26 LYS HZ3 H 1 2.902 0.000 . . . . . . 23 LYS HZ . 7203 1 200 . 1 1 26 26 LYS CA C 13 55.935 0.000 . . . . . . 23 LYS CA . 7203 1 201 . 1 1 26 26 LYS CB C 13 32.646 0.000 . . . . . . 23 LYS CB . 7203 1 202 . 1 1 27 27 VAL H H 1 7.730 0.002 . . . . . . 24 VAL H . 7203 1 203 . 1 1 27 27 VAL HA H 1 4.147 0.001 . . . . . . 24 VAL HA . 7203 1 204 . 1 1 27 27 VAL HB H 1 2.352 0.004 . . . . . . 24 VAL HB . 7203 1 205 . 1 1 27 27 VAL HG11 H 1 0.913 0.005 . . . . . . 24 VAL HG1 . 7203 1 206 . 1 1 27 27 VAL HG12 H 1 0.913 0.005 . . . . . . 24 VAL HG1 . 7203 1 207 . 1 1 27 27 VAL HG13 H 1 0.913 0.005 . . . . . . 24 VAL HG1 . 7203 1 208 . 1 1 27 27 VAL HG21 H 1 0.826 0.004 . . . . . . 24 VAL HG2 . 7203 1 209 . 1 1 27 27 VAL HG22 H 1 0.826 0.004 . . . . . . 24 VAL HG2 . 7203 1 210 . 1 1 27 27 VAL HG23 H 1 0.826 0.004 . . . . . . 24 VAL HG2 . 7203 1 211 . 1 1 27 27 VAL CA C 13 63.963 0.080 . . . . . . 24 VAL CA . 7203 1 212 . 1 1 27 27 VAL CB C 13 32.845 0.119 . . . . . . 24 VAL CB . 7203 1 213 . 1 1 27 27 VAL N N 15 118.474 0.000 . . . . . . 24 VAL N . 7203 1 214 . 1 1 28 28 ASN H H 1 8.285 0.001 . . . . . . 25 ASN H . 7203 1 215 . 1 1 28 28 ASN HA H 1 4.205 0.000 . . . . . . 25 ASN HA . 7203 1 216 . 1 1 28 28 ASN HB2 H 1 2.677 0.003 . . . . . . 25 ASN HB2 . 7203 1 217 . 1 1 28 28 ASN HB3 H 1 2.284 0.005 . . . . . . 25 ASN HB3 . 7203 1 218 . 1 1 28 28 ASN HD21 H 1 6.755 0.003 . . . . . . 25 ASN HD21 . 7203 1 219 . 1 1 28 28 ASN HD22 H 1 7.558 0.000 . . . . . . 25 ASN HD22 . 7203 1 220 . 1 1 28 28 ASN CA C 13 53.868 0.080 . . . . . . 25 ASN CA . 7203 1 221 . 1 1 28 28 ASN CB C 13 39.879 0.080 . . . . . . 25 ASN CB . 7203 1 222 . 1 1 28 28 ASN N N 15 117.454 0.000 . . . . . . 25 ASN N . 7203 1 223 . 1 1 29 29 LYS H H 1 8.012 0.001 . . . . . . 26 LYS H . 7203 1 224 . 1 1 29 29 LYS HA H 1 3.808 0.000 . . . . . . 26 LYS HA . 7203 1 225 . 1 1 29 29 LYS HB2 H 1 1.124 0.003 . . . . . . 26 LYS HB2 . 7203 1 226 . 1 1 29 29 LYS HB3 H 1 1.029 0.003 . . . . . . 26 LYS HB3 . 7203 1 227 . 1 1 29 29 LYS HG2 H 1 0.776 0.002 . . . . . . 26 LYS HG2 . 7203 1 228 . 1 1 29 29 LYS HG3 H 1 -0.412 0.002 . . . . . . 26 LYS HG3 . 7203 1 229 . 1 1 29 29 LYS HD2 H 1 0.491 0.003 . . . . . . 26 LYS HD2 . 7203 1 230 . 1 1 29 29 LYS HD3 H 1 0.141 0.002 . . . . . . 26 LYS HD3 . 7203 1 231 . 1 1 29 29 LYS HE2 H 1 1.849 0.000 . . . . . . 26 LYS HE2 . 7203 1 232 . 1 1 29 29 LYS HE3 H 1 1.751 0.000 . . . . . . 26 LYS HE3 . 7203 1 233 . 1 1 29 29 LYS CA C 13 56.888 0.159 . . . . . . 26 LYS CA . 7203 1 234 . 1 1 29 29 LYS CB C 13 32.567 0.000 . . . . . . 26 LYS CB . 7203 1 235 . 1 1 29 29 LYS N N 15 120.912 0.000 . . . . . . 26 LYS N . 7203 1 236 . 1 1 30 30 HIS H H 1 8.370 0.002 . . . . . . 27 HIS H . 7203 1 237 . 1 1 30 30 HIS HA H 1 4.858 0.005 . . . . . . 27 HIS HA . 7203 1 238 . 1 1 30 30 HIS HB2 H 1 3.104 0.007 . . . . . . 27 HIS HB2 . 7203 1 239 . 1 1 30 30 HIS HB3 H 1 2.898 0.003 . . . . . . 27 HIS HB3 . 7203 1 240 . 1 1 30 30 HIS HD2 H 1 7.031 0.000 . . . . . . 27 HIS HD2 . 7203 1 241 . 1 1 30 30 HIS HE1 H 1 8.139 0.000 . . . . . . 27 HIS HE1 . 7203 1 242 . 1 1 30 30 HIS CA C 13 52.914 0.000 . . . . . . 27 HIS CA . 7203 1 243 . 1 1 30 30 HIS CB C 13 29.387 0.000 . . . . . . 27 HIS CB . 7203 1 244 . 1 1 30 30 HIS N N 15 114.817 0.000 . . . . . . 27 HIS N . 7203 1 245 . 1 1 31 31 PRO HA H 1 4.142 0.005 . . . . . . 28 PRO HA . 7203 1 246 . 1 1 31 31 PRO HB2 H 1 1.554 0.000 . . . . . . 28 PRO HB2 . 7203 1 247 . 1 1 31 31 PRO HG2 H 1 1.183 0.000 . . . . . . 28 PRO HG2 . 7203 1 248 . 1 1 31 31 PRO HG3 H 1 0.861 0.000 . . . . . . 28 PRO HG3 . 7203 1 249 . 1 1 31 31 PRO HD2 H 1 3.188 0.001 . . . . . . 28 PRO HD2 . 7203 1 250 . 1 1 31 31 PRO HD3 H 1 3.124 0.001 . . . . . . 28 PRO HD3 . 7203 1 251 . 1 1 31 31 PRO CA C 13 63.000 0.000 . . . . . . 28 PRO CA . 7203 1 252 . 1 1 31 31 PRO CB C 13 31.430 0.000 . . . . . . 28 PRO CB . 7203 1 253 . 1 1 32 32 ASP H H 1 8.072 0.001 . . . . . . 29 ASP H . 7203 1 254 . 1 1 32 32 ASP HA H 1 4.672 0.000 . . . . . . 29 ASP HA . 7203 1 255 . 1 1 32 32 ASP HB2 H 1 3.053 0.006 . . . . . . 29 ASP HB2 . 7203 1 256 . 1 1 32 32 ASP HB3 H 1 2.736 0.003 . . . . . . 29 ASP HB3 . 7203 1 257 . 1 1 32 32 ASP CA C 13 52.453 0.000 . . . . . . 29 ASP CA . 7203 1 258 . 1 1 32 32 ASP CB C 13 39.229 0.000 . . . . . . 29 ASP CB . 7203 1 259 . 1 1 32 32 ASP N N 15 121.534 0.000 . . . . . . 29 ASP N . 7203 1 260 . 1 1 33 33 PRO HB2 H 1 2.185 0.000 . . . . . . 30 PRO HB2 . 7203 1 261 . 1 1 33 33 PRO HD2 H 1 3.885 0.006 . . . . . . 30 PRO HD2 . 7203 1 262 . 1 1 33 33 PRO HD3 H 1 3.814 0.003 . . . . . . 30 PRO HD3 . 7203 1 263 . 1 1 33 33 PRO CA C 13 66.506 0.000 . . . . . . 30 PRO CA . 7203 1 264 . 1 1 33 33 PRO CB C 13 32.010 0.000 . . . . . . 30 PRO CB . 7203 1 265 . 1 1 34 34 THR H H 1 8.020 0.000 . . . . . . 31 THR H . 7203 1 266 . 1 1 34 34 THR HA H 1 4.198 0.001 . . . . . . 31 THR HA . 7203 1 267 . 1 1 34 34 THR HB H 1 3.973 0.005 . . . . . . 31 THR HB . 7203 1 268 . 1 1 34 34 THR HG21 H 1 1.226 0.010 . . . . . . 31 THR HG2 . 7203 1 269 . 1 1 34 34 THR HG22 H 1 1.226 0.010 . . . . . . 31 THR HG2 . 7203 1 270 . 1 1 34 34 THR HG23 H 1 1.226 0.010 . . . . . . 31 THR HG2 . 7203 1 271 . 1 1 34 34 THR CA C 13 66.466 0.119 . . . . . . 31 THR CA . 7203 1 272 . 1 1 34 34 THR CB C 13 68.294 0.040 . . . . . . 31 THR CB . 7203 1 273 . 1 1 34 34 THR N N 15 113.626 0.000 . . . . . . 31 THR N . 7203 1 274 . 1 1 35 35 THR H H 1 8.176 0.004 . . . . . . 32 THR H . 7203 1 275 . 1 1 35 35 THR HA H 1 3.855 0.000 . . . . . . 32 THR HA . 7203 1 276 . 1 1 35 35 THR HB H 1 3.999 0.002 . . . . . . 32 THR HB . 7203 1 277 . 1 1 35 35 THR HG21 H 1 1.173 0.001 . . . . . . 32 THR HG2 . 7203 1 278 . 1 1 35 35 THR HG22 H 1 1.173 0.001 . . . . . . 32 THR HG2 . 7203 1 279 . 1 1 35 35 THR HG23 H 1 1.173 0.001 . . . . . . 32 THR HG2 . 7203 1 280 . 1 1 35 35 THR CA C 13 66.508 0.208 . . . . . . 32 THR CA . 7203 1 281 . 1 1 35 35 THR CB C 13 67.556 0.142 . . . . . . 32 THR CB . 7203 1 282 . 1 1 35 35 THR N N 15 121.085 0.000 . . . . . . 32 THR N . 7203 1 283 . 1 1 36 36 LEU H H 1 8.814 0.001 . . . . . . 33 LEU H . 7203 1 284 . 1 1 36 36 LEU HA H 1 3.665 0.002 . . . . . . 33 LEU HA . 7203 1 285 . 1 1 36 36 LEU HB2 H 1 1.632 0.004 . . . . . . 33 LEU HB2 . 7203 1 286 . 1 1 36 36 LEU HG H 1 1.488 0.004 . . . . . . 33 LEU HG . 7203 1 287 . 1 1 36 36 LEU HD11 H 1 0.724 0.004 . . . . . . 33 LEU HD1 . 7203 1 288 . 1 1 36 36 LEU HD12 H 1 0.724 0.004 . . . . . . 33 LEU HD1 . 7203 1 289 . 1 1 36 36 LEU HD13 H 1 0.724 0.004 . . . . . . 33 LEU HD1 . 7203 1 290 . 1 1 36 36 LEU HD21 H 1 0.698 0.005 . . . . . . 33 LEU HD2 . 7203 1 291 . 1 1 36 36 LEU HD22 H 1 0.698 0.005 . . . . . . 33 LEU HD2 . 7203 1 292 . 1 1 36 36 LEU HD23 H 1 0.698 0.005 . . . . . . 33 LEU HD2 . 7203 1 293 . 1 1 36 36 LEU CA C 13 58.912 0.037 . . . . . . 33 LEU CA . 7203 1 294 . 1 1 36 36 LEU CB C 13 41.502 0.083 . . . . . . 33 LEU CB . 7203 1 295 . 1 1 36 36 LEU N N 15 122.131 0.000 . . . . . . 33 LEU N . 7203 1 296 . 1 1 37 37 CYS H H 1 7.720 0.000 . . . . . . 34 CYS H . 7203 1 297 . 1 1 37 37 CYS HA H 1 3.997 0.001 . . . . . . 34 CYS HA . 7203 1 298 . 1 1 37 37 CYS HB2 H 1 3.098 0.006 . . . . . . 34 CYS HB2 . 7203 1 299 . 1 1 37 37 CYS HB3 H 1 3.009 0.002 . . . . . . 34 CYS HB3 . 7203 1 300 . 1 1 37 37 CYS CA C 13 63.374 0.022 . . . . . . 34 CYS CA . 7203 1 301 . 1 1 37 37 CYS CB C 13 26.355 0.042 . . . . . . 34 CYS CB . 7203 1 302 . 1 1 37 37 CYS N N 15 116.331 0.000 . . . . . . 34 CYS N . 7203 1 303 . 1 1 38 38 LEU H H 1 7.601 0.013 . . . . . . 35 LEU H . 7203 1 304 . 1 1 38 38 LEU HA H 1 4.170 0.007 . . . . . . 35 LEU HA . 7203 1 305 . 1 1 38 38 LEU HB2 H 1 2.035 0.004 . . . . . . 35 LEU HB2 . 7203 1 306 . 1 1 38 38 LEU HB3 H 1 1.681 0.005 . . . . . . 35 LEU HB3 . 7203 1 307 . 1 1 38 38 LEU HG H 1 1.831 0.004 . . . . . . 35 LEU HG . 7203 1 308 . 1 1 38 38 LEU HD11 H 1 0.925 0.001 . . . . . . 35 LEU HD1 . 7203 1 309 . 1 1 38 38 LEU HD12 H 1 0.925 0.001 . . . . . . 35 LEU HD1 . 7203 1 310 . 1 1 38 38 LEU HD13 H 1 0.925 0.001 . . . . . . 35 LEU HD1 . 7203 1 311 . 1 1 38 38 LEU HD21 H 1 0.887 0.002 . . . . . . 35 LEU HD2 . 7203 1 312 . 1 1 38 38 LEU HD22 H 1 0.887 0.002 . . . . . . 35 LEU HD2 . 7203 1 313 . 1 1 38 38 LEU HD23 H 1 0.887 0.002 . . . . . . 35 LEU HD2 . 7203 1 314 . 1 1 38 38 LEU CA C 13 58.118 0.002 . . . . . . 35 LEU CA . 7203 1 315 . 1 1 38 38 LEU CB C 13 41.373 0.063 . . . . . . 35 LEU CB . 7203 1 316 . 1 1 38 38 LEU N N 15 121.724 0.000 . . . . . . 35 LEU N . 7203 1 317 . 1 1 39 39 ILE H H 1 8.392 0.001 . . . . . . 36 ILE H . 7203 1 318 . 1 1 39 39 ILE HA H 1 3.599 0.002 . . . . . . 36 ILE HA . 7203 1 319 . 1 1 39 39 ILE HB H 1 1.742 0.004 . . . . . . 36 ILE HB . 7203 1 320 . 1 1 39 39 ILE HG12 H 1 1.893 0.004 . . . . . . 36 ILE HG12 . 7203 1 321 . 1 1 39 39 ILE HG13 H 1 0.861 0.006 . . . . . . 36 ILE HG13 . 7203 1 322 . 1 1 39 39 ILE HG21 H 1 0.931 0.001 . . . . . . 36 ILE HG2 . 7203 1 323 . 1 1 39 39 ILE HG22 H 1 0.931 0.001 . . . . . . 36 ILE HG2 . 7203 1 324 . 1 1 39 39 ILE HG23 H 1 0.931 0.001 . . . . . . 36 ILE HG2 . 7203 1 325 . 1 1 39 39 ILE HD11 H 1 0.671 0.001 . . . . . . 36 ILE HD1 . 7203 1 326 . 1 1 39 39 ILE HD12 H 1 0.671 0.001 . . . . . . 36 ILE HD1 . 7203 1 327 . 1 1 39 39 ILE HD13 H 1 0.671 0.001 . . . . . . 36 ILE HD1 . 7203 1 328 . 1 1 39 39 ILE CA C 13 65.286 0.007 . . . . . . 36 ILE CA . 7203 1 329 . 1 1 39 39 ILE CB C 13 38.113 0.055 . . . . . . 36 ILE CB . 7203 1 330 . 1 1 39 39 ILE N N 15 122.098 0.000 . . . . . . 36 ILE N . 7203 1 331 . 1 1 40 40 ALA H H 1 8.516 0.001 . . . . . . 37 ALA H . 7203 1 332 . 1 1 40 40 ALA HA H 1 3.909 0.002 . . . . . . 37 ALA HA . 7203 1 333 . 1 1 40 40 ALA HB1 H 1 1.355 0.007 . . . . . . 37 ALA HB . 7203 1 334 . 1 1 40 40 ALA HB2 H 1 1.355 0.007 . . . . . . 37 ALA HB . 7203 1 335 . 1 1 40 40 ALA HB3 H 1 1.355 0.007 . . . . . . 37 ALA HB . 7203 1 336 . 1 1 40 40 ALA CA C 13 55.607 0.059 . . . . . . 37 ALA CA . 7203 1 337 . 1 1 40 40 ALA CB C 13 17.653 0.109 . . . . . . 37 ALA CB . 7203 1 338 . 1 1 40 40 ALA N N 15 121.724 0.000 . . . . . . 37 ALA N . 7203 1 339 . 1 1 41 41 ALA H H 1 7.620 0.000 . . . . . . 38 ALA H . 7203 1 340 . 1 1 41 41 ALA HA H 1 4.198 0.001 . . . . . . 38 ALA HA . 7203 1 341 . 1 1 41 41 ALA HB1 H 1 1.549 0.003 . . . . . . 38 ALA HB . 7203 1 342 . 1 1 41 41 ALA HB2 H 1 1.549 0.003 . . . . . . 38 ALA HB . 7203 1 343 . 1 1 41 41 ALA HB3 H 1 1.549 0.003 . . . . . . 38 ALA HB . 7203 1 344 . 1 1 41 41 ALA CA C 13 54.448 0.123 . . . . . . 38 ALA CA . 7203 1 345 . 1 1 41 41 ALA CB C 13 17.844 0.018 . . . . . . 38 ALA CB . 7203 1 346 . 1 1 41 41 ALA N N 15 118.062 0.000 . . . . . . 38 ALA N . 7203 1 347 . 1 1 42 42 GLU H H 1 8.041 0.003 . . . . . . 39 GLU H . 7203 1 348 . 1 1 42 42 GLU HA H 1 3.977 0.002 . . . . . . 39 GLU HA . 7203 1 349 . 1 1 42 42 GLU HB2 H 1 2.190 0.007 . . . . . . 39 GLU HB2 . 7203 1 350 . 1 1 42 42 GLU HB3 H 1 2.107 0.003 . . . . . . 39 GLU HB3 . 7203 1 351 . 1 1 42 42 GLU HG2 H 1 2.412 0.003 . . . . . . 39 GLU HG2 . 7203 1 352 . 1 1 42 42 GLU CA C 13 59.008 0.106 . . . . . . 39 GLU CA . 7203 1 353 . 1 1 42 42 GLU CB C 13 29.467 0.000 . . . . . . 39 GLU CB . 7203 1 354 . 1 1 42 42 GLU N N 15 120.116 0.000 . . . . . . 39 GLU N . 7203 1 355 . 1 1 43 43 ALA H H 1 8.421 0.002 . . . . . . 40 ALA H . 7203 1 356 . 1 1 43 43 ALA HA H 1 4.231 0.000 . . . . . . 40 ALA HA . 7203 1 357 . 1 1 43 43 ALA HB1 H 1 1.248 0.007 . . . . . . 40 ALA HB . 7203 1 358 . 1 1 43 43 ALA HB2 H 1 1.248 0.007 . . . . . . 40 ALA HB . 7203 1 359 . 1 1 43 43 ALA HB3 H 1 1.248 0.007 . . . . . . 40 ALA HB . 7203 1 360 . 1 1 43 43 ALA CA C 13 52.393 0.124 . . . . . . 40 ALA CA . 7203 1 361 . 1 1 43 43 ALA CB C 13 18.891 0.005 . . . . . . 40 ALA CB . 7203 1 362 . 1 1 43 43 ALA N N 15 117.315 0.000 . . . . . . 40 ALA N . 7203 1 363 . 1 1 44 44 GLY H H 1 8.047 0.002 . . . . . . 41 GLY H . 7203 1 364 . 1 1 44 44 GLY HA2 H 1 3.887 0.000 . . . . . . 41 GLY HA2 . 7203 1 365 . 1 1 44 44 GLY HA3 H 1 4.023 0.001 . . . . . . 41 GLY HA3 . 7203 1 366 . 1 1 44 44 GLY CA C 13 46.322 0.005 . . . . . . 41 GLY CA . 7203 1 367 . 1 1 44 44 GLY N N 15 108.389 0.000 . . . . . . 41 GLY N . 7203 1 368 . 1 1 45 45 LEU H H 1 8.110 0.002 . . . . . . 42 LEU H . 7203 1 369 . 1 1 45 45 LEU HA H 1 4.830 0.004 . . . . . . 42 LEU HA . 7203 1 370 . 1 1 45 45 LEU HB2 H 1 1.613 0.003 . . . . . . 42 LEU HB2 . 7203 1 371 . 1 1 45 45 LEU HB3 H 1 1.414 0.010 . . . . . . 42 LEU HB3 . 7203 1 372 . 1 1 45 45 LEU HG H 1 1.441 0.005 . . . . . . 42 LEU HG . 7203 1 373 . 1 1 45 45 LEU HD11 H 1 0.790 0.005 . . . . . . 42 LEU HD1 . 7203 1 374 . 1 1 45 45 LEU HD12 H 1 0.790 0.005 . . . . . . 42 LEU HD1 . 7203 1 375 . 1 1 45 45 LEU HD13 H 1 0.790 0.005 . . . . . . 42 LEU HD1 . 7203 1 376 . 1 1 45 45 LEU HD21 H 1 0.655 0.004 . . . . . . 42 LEU HD2 . 7203 1 377 . 1 1 45 45 LEU HD22 H 1 0.655 0.004 . . . . . . 42 LEU HD2 . 7203 1 378 . 1 1 45 45 LEU HD23 H 1 0.655 0.004 . . . . . . 42 LEU HD2 . 7203 1 379 . 1 1 45 45 LEU CA C 13 52.476 0.117 . . . . . . 42 LEU CA . 7203 1 380 . 1 1 45 45 LEU CB C 13 46.953 0.159 . . . . . . 42 LEU CB . 7203 1 381 . 1 1 45 45 LEU N N 15 120.116 0.000 . . . . . . 42 LEU N . 7203 1 382 . 1 1 46 46 THR H H 1 8.476 0.000 . . . . . . 43 THR H . 7203 1 383 . 1 1 46 46 THR HA H 1 4.522 0.007 . . . . . . 43 THR HA . 7203 1 384 . 1 1 46 46 THR HB H 1 4.833 0.002 . . . . . . 43 THR HB . 7203 1 385 . 1 1 46 46 THR HG1 H 1 5.839 0.005 . . . . . . 43 THR HG1 . 7203 1 386 . 1 1 46 46 THR HG21 H 1 1.350 0.005 . . . . . . 43 THR HG2 . 7203 1 387 . 1 1 46 46 THR HG22 H 1 1.350 0.005 . . . . . . 43 THR HG2 . 7203 1 388 . 1 1 46 46 THR HG23 H 1 1.350 0.005 . . . . . . 43 THR HG2 . 7203 1 389 . 1 1 46 46 THR CA C 13 60.783 0.000 . . . . . . 43 THR CA . 7203 1 390 . 1 1 46 46 THR CB C 13 71.036 0.000 . . . . . . 43 THR CB . 7203 1 391 . 1 1 46 46 THR N N 15 108.926 0.000 . . . . . . 43 THR N . 7203 1 392 . 1 1 47 47 GLU H H 1 9.576 0.016 . . . . . . 44 GLU H . 7203 1 393 . 1 1 47 47 GLU HA H 1 3.682 0.004 . . . . . . 44 GLU HA . 7203 1 394 . 1 1 47 47 GLU HB2 H 1 2.149 0.010 . . . . . . 44 GLU HB2 . 7203 1 395 . 1 1 47 47 GLU HB3 H 1 2.076 0.008 . . . . . . 44 GLU HB3 . 7203 1 396 . 1 1 47 47 GLU HG2 H 1 2.294 0.012 . . . . . . 44 GLU HG2 . 7203 1 397 . 1 1 47 47 GLU CA C 13 60.942 0.000 . . . . . . 44 GLU CA . 7203 1 398 . 1 1 47 47 GLU CB C 13 28.910 0.080 . . . . . . 44 GLU CB . 7203 1 399 . 1 1 47 47 GLU N N 15 125.411 0.000 . . . . . . 44 GLU N . 7203 1 400 . 1 1 48 48 GLU H H 1 8.824 0.003 . . . . . . 45 GLU H . 7203 1 401 . 1 1 48 48 GLU HA H 1 4.121 0.000 . . . . . . 45 GLU HA . 7203 1 402 . 1 1 48 48 GLU HB2 H 1 2.352 0.004 . . . . . . 45 GLU HB2 . 7203 1 403 . 1 1 48 48 GLU HB3 H 1 2.260 0.003 . . . . . . 45 GLU HB3 . 7203 1 404 . 1 1 48 48 GLU CA C 13 60.028 0.040 . . . . . . 45 GLU CA . 7203 1 405 . 1 1 48 48 GLU CB C 13 29.268 0.119 . . . . . . 45 GLU CB . 7203 1 406 . 1 1 48 48 GLU N N 15 119.422 0.000 . . . . . . 45 GLU N . 7203 1 407 . 1 1 49 49 GLN H H 1 8.053 0.000 . . . . . . 46 GLN H . 7203 1 408 . 1 1 49 49 GLN HB2 H 1 1.959 0.004 . . . . . . 46 GLN HB2 . 7203 1 409 . 1 1 49 49 GLN HG2 H 1 2.518 0.003 . . . . . . 46 GLN HG2 . 7203 1 410 . 1 1 49 49 GLN HG3 H 1 2.370 0.002 . . . . . . 46 GLN HG3 . 7203 1 411 . 1 1 49 49 GLN HE21 H 1 7.592 0.001 . . . . . . 46 GLN HE21 . 7203 1 412 . 1 1 49 49 GLN HE22 H 1 6.941 0.001 . . . . . . 46 GLN HE22 . 7203 1 413 . 1 1 49 49 GLN CA C 13 58.954 0.080 . . . . . . 46 GLN CA . 7203 1 414 . 1 1 49 49 GLN CB C 13 30.142 0.039 . . . . . . 46 GLN CB . 7203 1 415 . 1 1 49 49 GLN N N 15 118.255 0.000 . . . . . . 46 GLN N . 7203 1 416 . 1 1 50 50 THR H H 1 8.149 0.002 . . . . . . 47 THR H . 7203 1 417 . 1 1 50 50 THR HA H 1 3.856 0.001 . . . . . . 47 THR HA . 7203 1 418 . 1 1 50 50 THR HB H 1 4.262 0.000 . . . . . . 47 THR HB . 7203 1 419 . 1 1 50 50 THR HG21 H 1 1.304 0.002 . . . . . . 47 THR HG2 . 7203 1 420 . 1 1 50 50 THR HG22 H 1 1.304 0.002 . . . . . . 47 THR HG2 . 7203 1 421 . 1 1 50 50 THR HG23 H 1 1.304 0.002 . . . . . . 47 THR HG2 . 7203 1 422 . 1 1 50 50 THR CA C 13 67.969 0.206 . . . . . . 47 THR CA . 7203 1 423 . 1 1 50 50 THR CB C 13 68.016 0.000 . . . . . . 47 THR CB . 7203 1 424 . 1 1 50 50 THR N N 15 118.698 0.000 . . . . . . 47 THR N . 7203 1 425 . 1 1 51 51 GLN H H 1 9.086 0.001 . . . . . . 48 GLN H . 7203 1 426 . 1 1 51 51 GLN HA H 1 4.132 0.003 . . . . . . 48 GLN HA . 7203 1 427 . 1 1 51 51 GLN HB2 H 1 2.306 0.001 . . . . . . 48 GLN HB2 . 7203 1 428 . 1 1 51 51 GLN HB3 H 1 2.226 0.001 . . . . . . 48 GLN HB3 . 7203 1 429 . 1 1 51 51 GLN HG2 H 1 2.536 0.007 . . . . . . 48 GLN HG2 . 7203 1 430 . 1 1 51 51 GLN HG3 H 1 2.411 0.002 . . . . . . 48 GLN HG3 . 7203 1 431 . 1 1 51 51 GLN HE21 H 1 7.444 0.001 . . . . . . 48 GLN HE21 . 7203 1 432 . 1 1 51 51 GLN HE22 H 1 6.885 0.000 . . . . . . 48 GLN HE22 . 7203 1 433 . 1 1 51 51 GLN CA C 13 59.579 0.068 . . . . . . 48 GLN CA . 7203 1 434 . 1 1 51 51 GLN CB C 13 28.504 0.009 . . . . . . 48 GLN CB . 7203 1 435 . 1 1 51 51 GLN N N 15 122.416 0.000 . . . . . . 48 GLN N . 7203 1 436 . 1 1 52 52 LYS H H 1 8.162 0.004 . . . . . . 49 LYS H . 7203 1 437 . 1 1 52 52 LYS HA H 1 4.033 0.004 . . . . . . 49 LYS HA . 7203 1 438 . 1 1 52 52 LYS HB2 H 1 2.028 0.002 . . . . . . 49 LYS HB2 . 7203 1 439 . 1 1 52 52 LYS HB3 H 1 1.981 0.004 . . . . . . 49 LYS HB3 . 7203 1 440 . 1 1 52 52 LYS HG2 H 1 1.464 0.003 . . . . . . 49 LYS HG2 . 7203 1 441 . 1 1 52 52 LYS HD2 H 1 1.729 0.002 . . . . . . 49 LYS HD2 . 7203 1 442 . 1 1 52 52 LYS HZ1 H 1 3.001 0.003 . . . . . . 49 LYS HZ . 7203 1 443 . 1 1 52 52 LYS HZ2 H 1 3.001 0.003 . . . . . . 49 LYS HZ . 7203 1 444 . 1 1 52 52 LYS HZ3 H 1 3.001 0.003 . . . . . . 49 LYS HZ . 7203 1 445 . 1 1 52 52 LYS CA C 13 59.869 0.039 . . . . . . 49 LYS CA . 7203 1 446 . 1 1 52 52 LYS CB C 13 32.374 0.113 . . . . . . 49 LYS CB . 7203 1 447 . 1 1 52 52 LYS N N 15 119.523 0.000 . . . . . . 49 LYS N . 7203 1 448 . 1 1 53 53 TRP H H 1 8.095 0.002 . . . . . . 50 TRP H . 7203 1 449 . 1 1 53 53 TRP HA H 1 4.063 0.002 . . . . . . 50 TRP HA . 7203 1 450 . 1 1 53 53 TRP HB2 H 1 3.483 0.003 . . . . . . 50 TRP HB2 . 7203 1 451 . 1 1 53 53 TRP HB3 H 1 3.228 0.007 . . . . . . 50 TRP HB3 . 7203 1 452 . 1 1 53 53 TRP HD1 H 1 7.159 0.005 . . . . . . 50 TRP HD1 . 7203 1 453 . 1 1 53 53 TRP HE1 H 1 10.004 0.000 . . . . . . 50 TRP HE1 . 7203 1 454 . 1 1 53 53 TRP HE3 H 1 5.650 0.006 . . . . . . 50 TRP HE3 . 7203 1 455 . 1 1 53 53 TRP HZ2 H 1 7.350 0.002 . . . . . . 50 TRP HZ2 . 7203 1 456 . 1 1 53 53 TRP HZ3 H 1 6.659 0.004 . . . . . . 50 TRP HZ3 . 7203 1 457 . 1 1 53 53 TRP HH2 H 1 6.641 0.004 . . . . . . 50 TRP HH2 . 7203 1 458 . 1 1 53 53 TRP CA C 13 62.630 0.019 . . . . . . 50 TRP CA . 7203 1 459 . 1 1 53 53 TRP CB C 13 28.831 0.079 . . . . . . 50 TRP CB . 7203 1 460 . 1 1 53 53 TRP N N 15 120.463 0.000 . . . . . . 50 TRP N . 7203 1 461 . 1 1 53 53 TRP NE1 N 15 128.753 0.000 . . . . . . 50 TRP NE1 . 7203 1 462 . 1 1 54 54 PHE H H 1 8.942 0.003 . . . . . . 51 PHE H . 7203 1 463 . 1 1 54 54 PHE HA H 1 3.831 0.002 . . . . . . 51 PHE HA . 7203 1 464 . 1 1 54 54 PHE HB2 H 1 3.377 0.004 . . . . . . 51 PHE HB2 . 7203 1 465 . 1 1 54 54 PHE HB3 H 1 3.304 0.004 . . . . . . 51 PHE HB3 . 7203 1 466 . 1 1 54 54 PHE HD1 H 1 7.791 0.004 . . . . . . 51 PHE HD1 . 7203 1 467 . 1 1 54 54 PHE HE1 H 1 7.533 0.004 . . . . . . 51 PHE HE1 . 7203 1 468 . 1 1 54 54 PHE HZ H 1 7.298 0.004 . . . . . . 51 PHE HZ . 7203 1 469 . 1 1 54 54 PHE CA C 13 63.651 0.073 . . . . . . 51 PHE CA . 7203 1 470 . 1 1 54 54 PHE CB C 13 38.687 0.080 . . . . . . 51 PHE CB . 7203 1 471 . 1 1 54 54 PHE N N 15 118.814 0.000 . . . . . . 51 PHE N . 7203 1 472 . 1 1 55 55 LYS H H 1 8.363 0.002 . . . . . . 52 LYS H . 7203 1 473 . 1 1 55 55 LYS HA H 1 4.128 0.004 . . . . . . 52 LYS HA . 7203 1 474 . 1 1 55 55 LYS HB2 H 1 2.002 0.001 . . . . . . 52 LYS HB2 . 7203 1 475 . 1 1 55 55 LYS HG2 H 1 1.475 0.000 . . . . . . 52 LYS HG2 . 7203 1 476 . 1 1 55 55 LYS HD2 H 1 1.707 0.028 . . . . . . 52 LYS HD2 . 7203 1 477 . 1 1 55 55 LYS HZ1 H 1 3.001 0.001 . . . . . . 52 LYS HZ . 7203 1 478 . 1 1 55 55 LYS HZ2 H 1 3.001 0.001 . . . . . . 52 LYS HZ . 7203 1 479 . 1 1 55 55 LYS HZ3 H 1 3.001 0.001 . . . . . . 52 LYS HZ . 7203 1 480 . 1 1 55 55 LYS CA C 13 60.112 0.044 . . . . . . 52 LYS CA . 7203 1 481 . 1 1 55 55 LYS CB C 13 32.448 0.039 . . . . . . 52 LYS CB . 7203 1 482 . 1 1 55 55 LYS N N 15 120.391 0.000 . . . . . . 52 LYS N . 7203 1 483 . 1 1 56 56 GLN H H 1 7.663 0.003 . . . . . . 53 GLN H . 7203 1 484 . 1 1 56 56 GLN HA H 1 4.029 0.003 . . . . . . 53 GLN HA . 7203 1 485 . 1 1 56 56 GLN HB2 H 1 2.044 0.003 . . . . . . 53 GLN HB2 . 7203 1 486 . 1 1 56 56 GLN HB3 H 1 1.886 0.004 . . . . . . 53 GLN HB3 . 7203 1 487 . 1 1 56 56 GLN HG2 H 1 2.374 0.006 . . . . . . 53 GLN HG2 . 7203 1 488 . 1 1 56 56 GLN HG3 H 1 2.210 0.001 . . . . . . 53 GLN HG3 . 7203 1 489 . 1 1 56 56 GLN HE21 H 1 7.322 0.000 . . . . . . 53 GLN HE21 . 7203 1 490 . 1 1 56 56 GLN HE22 H 1 6.733 0.002 . . . . . . 53 GLN HE22 . 7203 1 491 . 1 1 56 56 GLN CA C 13 58.319 0.000 . . . . . . 53 GLN CA . 7203 1 492 . 1 1 56 56 GLN CB C 13 27.559 0.000 . . . . . . 53 GLN CB . 7203 1 493 . 1 1 56 56 GLN N N 15 119.711 0.000 . . . . . . 53 GLN N . 7203 1 494 . 1 1 57 57 ARG H H 1 8.355 0.003 . . . . . . 54 ARG H . 7203 1 495 . 1 1 57 57 ARG HA H 1 3.518 0.003 . . . . . . 54 ARG HA . 7203 1 496 . 1 1 57 57 ARG HB2 H 1 0.611 0.006 . . . . . . 54 ARG HB2 . 7203 1 497 . 1 1 57 57 ARG HG2 H 1 -0.094 0.006 . . . . . . 54 ARG HG2 . 7203 1 498 . 1 1 57 57 ARG HG3 H 1 -0.496 0.009 . . . . . . 54 ARG HG3 . 7203 1 499 . 1 1 57 57 ARG HD2 H 1 2.639 0.006 . . . . . . 54 ARG HD2 . 7203 1 500 . 1 1 57 57 ARG HD3 H 1 2.124 0.001 . . . . . . 54 ARG HD3 . 7203 1 501 . 1 1 57 57 ARG HE H 1 9.763 0.004 . . . . . . 54 ARG HE . 7203 1 502 . 1 1 57 57 ARG CA C 13 56.411 0.000 . . . . . . 54 ARG CA . 7203 1 503 . 1 1 57 57 ARG CB C 13 28.126 0.026 . . . . . . 54 ARG CB . 7203 1 504 . 1 1 57 57 ARG N N 15 122.301 0.000 . . . . . . 54 ARG N . 7203 1 505 . 1 1 58 58 LEU H H 1 8.265 0.003 . . . . . . 55 LEU H . 7203 1 506 . 1 1 58 58 LEU HA H 1 4.410 0.004 . . . . . . 55 LEU HA . 7203 1 507 . 1 1 58 58 LEU HB2 H 1 2.027 0.001 . . . . . . 55 LEU HB2 . 7203 1 508 . 1 1 58 58 LEU HB3 H 1 1.931 0.001 . . . . . . 55 LEU HB3 . 7203 1 509 . 1 1 58 58 LEU HG H 1 1.863 0.002 . . . . . . 55 LEU HG . 7203 1 510 . 1 1 58 58 LEU HD11 H 1 1.137 0.003 . . . . . . 55 LEU HD1 . 7203 1 511 . 1 1 58 58 LEU HD12 H 1 1.137 0.003 . . . . . . 55 LEU HD1 . 7203 1 512 . 1 1 58 58 LEU HD13 H 1 1.137 0.003 . . . . . . 55 LEU HD1 . 7203 1 513 . 1 1 58 58 LEU HD21 H 1 1.069 0.005 . . . . . . 55 LEU HD2 . 7203 1 514 . 1 1 58 58 LEU HD22 H 1 1.069 0.005 . . . . . . 55 LEU HD2 . 7203 1 515 . 1 1 58 58 LEU HD23 H 1 1.069 0.005 . . . . . . 55 LEU HD2 . 7203 1 516 . 1 1 58 58 LEU CA C 13 57.565 0.120 . . . . . . 55 LEU CA . 7203 1 517 . 1 1 58 58 LEU CB C 13 42.201 0.017 . . . . . . 55 LEU CB . 7203 1 518 . 1 1 58 58 LEU N N 15 120.058 0.000 . . . . . . 55 LEU N . 7203 1 519 . 1 1 59 59 ALA H H 1 7.467 0.000 . . . . . . 56 ALA H . 7203 1 520 . 1 1 59 59 ALA HA H 1 4.175 0.001 . . . . . . 56 ALA HA . 7203 1 521 . 1 1 59 59 ALA HB1 H 1 1.528 0.008 . . . . . . 56 ALA HB . 7203 1 522 . 1 1 59 59 ALA HB2 H 1 1.528 0.008 . . . . . . 56 ALA HB . 7203 1 523 . 1 1 59 59 ALA HB3 H 1 1.528 0.008 . . . . . . 56 ALA HB . 7203 1 524 . 1 1 59 59 ALA CA C 13 55.149 0.149 . . . . . . 56 ALA CA . 7203 1 525 . 1 1 59 59 ALA CB C 13 17.584 0.040 . . . . . . 56 ALA CB . 7203 1 526 . 1 1 59 59 ALA N N 15 121.447 0.000 . . . . . . 56 ALA N . 7203 1 527 . 1 1 60 60 GLU H H 1 7.888 0.000 . . . . . . 57 GLU H . 7203 1 528 . 1 1 60 60 GLU HA H 1 4.029 0.002 . . . . . . 57 GLU HA . 7203 1 529 . 1 1 60 60 GLU HB2 H 1 2.062 0.003 . . . . . . 57 GLU HB2 . 7203 1 530 . 1 1 60 60 GLU HB3 H 1 1.995 0.004 . . . . . . 57 GLU HB3 . 7203 1 531 . 1 1 60 60 GLU HG2 H 1 2.310 0.004 . . . . . . 57 GLU HG2 . 7203 1 532 . 1 1 60 60 GLU HG3 H 1 2.211 0.007 . . . . . . 57 GLU HG3 . 7203 1 533 . 1 1 60 60 GLU CA C 13 58.658 0.058 . . . . . . 57 GLU CA . 7203 1 534 . 1 1 60 60 GLU CB C 13 29.251 0.057 . . . . . . 57 GLU CB . 7203 1 535 . 1 1 60 60 GLU N N 15 118.915 0.000 . . . . . . 57 GLU N . 7203 1 536 . 1 1 61 61 TRP H H 1 8.611 0.000 . . . . . . 58 TRP H . 7203 1 537 . 1 1 61 61 TRP HA H 1 4.450 0.008 . . . . . . 58 TRP HA . 7203 1 538 . 1 1 61 61 TRP HB2 H 1 3.835 0.006 . . . . . . 58 TRP HB2 . 7203 1 539 . 1 1 61 61 TRP HB3 H 1 3.464 0.003 . . . . . . 58 TRP HB3 . 7203 1 540 . 1 1 61 61 TRP HD1 H 1 7.458 0.002 . . . . . . 58 TRP HD1 . 7203 1 541 . 1 1 61 61 TRP HE1 H 1 10.271 0.003 . . . . . . 58 TRP HE1 . 7203 1 542 . 1 1 61 61 TRP HE3 H 1 7.660 0.002 . . . . . . 58 TRP HE3 . 7203 1 543 . 1 1 61 61 TRP HZ2 H 1 7.453 0.000 . . . . . . 58 TRP HZ2 . 7203 1 544 . 1 1 61 61 TRP HZ3 H 1 7.097 0.001 . . . . . . 58 TRP HZ3 . 7203 1 545 . 1 1 61 61 TRP HH2 H 1 7.200 0.005 . . . . . . 58 TRP HH2 . 7203 1 546 . 1 1 61 61 TRP CA C 13 61.033 0.011 . . . . . . 58 TRP CA . 7203 1 547 . 1 1 61 61 TRP CB C 13 29.262 0.193 . . . . . . 58 TRP CB . 7203 1 548 . 1 1 61 61 TRP N N 15 122.821 0.000 . . . . . . 58 TRP N . 7203 1 549 . 1 1 62 62 ARG H H 1 8.801 0.000 . . . . . . 59 ARG H . 7203 1 550 . 1 1 62 62 ARG HA H 1 3.541 0.005 . . . . . . 59 ARG HA . 7203 1 551 . 1 1 62 62 ARG HB2 H 1 2.156 0.001 . . . . . . 59 ARG HB2 . 7203 1 552 . 1 1 62 62 ARG HB3 H 1 1.944 0.000 . . . . . . 59 ARG HB3 . 7203 1 553 . 1 1 62 62 ARG HG2 H 1 1.828 0.002 . . . . . . 59 ARG HG2 . 7203 1 554 . 1 1 62 62 ARG HG3 H 1 1.712 0.000 . . . . . . 59 ARG HG3 . 7203 1 555 . 1 1 62 62 ARG HD2 H 1 3.282 0.001 . . . . . . 59 ARG HD2 . 7203 1 556 . 1 1 62 62 ARG CA C 13 59.472 0.040 . . . . . . 59 ARG CA . 7203 1 557 . 1 1 62 62 ARG CB C 13 30.007 0.096 . . . . . . 59 ARG CB . 7203 1 558 . 1 1 62 62 ARG N N 15 118.279 0.000 . . . . . . 59 ARG N . 7203 1 559 . 1 1 63 63 ARG H H 1 7.656 0.004 . . . . . . 60 ARG H . 7203 1 560 . 1 1 63 63 ARG HA H 1 4.109 0.002 . . . . . . 60 ARG HA . 7203 1 561 . 1 1 63 63 ARG HB2 H 1 1.747 0.012 . . . . . . 60 ARG HB2 . 7203 1 562 . 1 1 63 63 ARG HB3 H 1 1.587 0.006 . . . . . . 60 ARG HB3 . 7203 1 563 . 1 1 63 63 ARG HG2 H 1 1.908 0.012 . . . . . . 60 ARG HG2 . 7203 1 564 . 1 1 63 63 ARG HD2 H 1 3.195 0.006 . . . . . . 60 ARG HD2 . 7203 1 565 . 1 1 63 63 ARG HE H 1 7.422 0.001 . . . . . . 60 ARG HE . 7203 1 566 . 1 1 63 63 ARG CA C 13 58.646 0.048 . . . . . . 60 ARG CA . 7203 1 567 . 1 1 63 63 ARG CB C 13 30.014 0.000 . . . . . . 60 ARG CB . 7203 1 568 . 1 1 63 63 ARG N N 15 117.989 0.000 . . . . . . 60 ARG N . 7203 1 569 . 1 1 64 64 SER H H 1 8.107 0.002 . . . . . . 61 SER H . 7203 1 570 . 1 1 64 64 SER HA H 1 4.230 0.000 . . . . . . 61 SER HA . 7203 1 571 . 1 1 64 64 SER HB2 H 1 3.930 0.010 . . . . . . 61 SER HB2 . 7203 1 572 . 1 1 64 64 SER CA C 13 60.208 0.150 . . . . . . 61 SER CA . 7203 1 573 . 1 1 64 64 SER CB C 13 63.205 0.017 . . . . . . 61 SER CB . 7203 1 574 . 1 1 64 64 SER N N 15 115.833 0.000 . . . . . . 61 SER N . 7203 1 575 . 1 1 65 65 GLU H H 1 7.823 0.003 . . . . . . 62 GLU H . 7203 1 576 . 1 1 65 65 GLU HA H 1 4.020 0.003 . . . . . . 62 GLU HA . 7203 1 577 . 1 1 65 65 GLU HB2 H 1 1.414 0.006 . . . . . . 62 GLU HB2 . 7203 1 578 . 1 1 65 65 GLU HB3 H 1 1.396 0.002 . . . . . . 62 GLU HB3 . 7203 1 579 . 1 1 65 65 GLU HG2 H 1 1.845 0.007 . . . . . . 62 GLU HG2 . 7203 1 580 . 1 1 65 65 GLU HG3 H 1 1.648 0.010 . . . . . . 62 GLU HG3 . 7203 1 581 . 1 1 65 65 GLU CA C 13 56.538 0.128 . . . . . . 62 GLU CA . 7203 1 582 . 1 1 65 65 GLU CB C 13 30.074 0.051 . . . . . . 62 GLU CB . 7203 1 583 . 1 1 65 65 GLU N N 15 120.521 0.000 . . . . . . 62 GLU N . 7203 1 584 . 1 1 66 66 GLY H H 1 7.811 0.000 . . . . . . 63 GLY H . 7203 1 585 . 1 1 66 66 GLY HA2 H 1 3.769 0.000 . . . . . . 63 GLY HA2 . 7203 1 586 . 1 1 66 66 GLY CA C 13 45.364 0.080 . . . . . . 63 GLY CA . 7203 1 587 . 1 1 66 66 GLY N N 15 107.940 0.000 . . . . . . 63 GLY N . 7203 1 588 . 1 1 67 67 LEU H H 1 7.919 0.002 . . . . . . 64 LEU H . 7203 1 589 . 1 1 67 67 LEU HA H 1 4.569 0.004 . . . . . . 64 LEU HA . 7203 1 590 . 1 1 67 67 LEU HB2 H 1 1.494 0.004 . . . . . . 64 LEU HB2 . 7203 1 591 . 1 1 67 67 LEU HD11 H 1 0.875 0.005 . . . . . . 64 LEU HD1 . 7203 1 592 . 1 1 67 67 LEU HD12 H 1 0.875 0.005 . . . . . . 64 LEU HD1 . 7203 1 593 . 1 1 67 67 LEU HD13 H 1 0.875 0.005 . . . . . . 64 LEU HD1 . 7203 1 594 . 1 1 67 67 LEU HD21 H 1 0.835 0.006 . . . . . . 64 LEU HD2 . 7203 1 595 . 1 1 67 67 LEU HD22 H 1 0.835 0.006 . . . . . . 64 LEU HD2 . 7203 1 596 . 1 1 67 67 LEU HD23 H 1 0.835 0.006 . . . . . . 64 LEU HD2 . 7203 1 597 . 1 1 67 67 LEU CA C 13 52.835 0.000 . . . . . . 64 LEU CA . 7203 1 598 . 1 1 67 67 LEU CB C 13 41.628 0.000 . . . . . . 64 LEU CB . 7203 1 599 . 1 1 67 67 LEU N N 15 121.953 0.000 . . . . . . 64 LEU N . 7203 1 600 . 1 1 68 68 PRO HA H 1 4.438 0.000 . . . . . . 65 PRO HA . 7203 1 601 . 1 1 68 68 PRO HB2 H 1 2.340 0.000 . . . . . . 65 PRO HB2 . 7203 1 602 . 1 1 68 68 PRO HB3 H 1 1.946 0.000 . . . . . . 65 PRO HB3 . 7203 1 603 . 1 1 68 68 PRO HG2 H 1 2.037 0.000 . . . . . . 65 PRO HG2 . 7203 1 604 . 1 1 68 68 PRO HD2 H 1 3.842 0.003 . . . . . . 65 PRO HD2 . 7203 1 605 . 1 1 68 68 PRO HD3 H 1 3.594 0.006 . . . . . . 65 PRO HD3 . 7203 1 606 . 1 1 68 68 PRO CA C 13 62.840 0.000 . . . . . . 65 PRO CA . 7203 1 607 . 1 1 68 68 PRO CB C 13 31.961 0.000 . . . . . . 65 PRO CB . 7203 1 608 . 1 1 69 69 SER H H 1 8.443 0.000 . . . . . . 66 SER H . 7203 1 609 . 1 1 69 69 SER HA H 1 4.300 0.000 . . . . . . 66 SER HA . 7203 1 610 . 1 1 69 69 SER HB2 H 1 3.900 0.011 . . . . . . 66 SER HB2 . 7203 1 611 . 1 1 69 69 SER HB3 H 1 3.851 0.009 . . . . . . 66 SER HB3 . 7203 1 612 . 1 1 69 69 SER CA C 13 58.876 0.000 . . . . . . 66 SER CA . 7203 1 613 . 1 1 69 69 SER CB C 13 63.675 0.000 . . . . . . 66 SER CB . 7203 1 614 . 1 1 69 69 SER N N 15 116.013 0.000 . . . . . . 66 SER N . 7203 1 615 . 1 1 70 70 GLU H H 1 8.550 0.002 . . . . . . 67 GLU H . 7203 1 616 . 1 1 70 70 GLU HA H 1 4.326 0.011 . . . . . . 67 GLU HA . 7203 1 617 . 1 1 70 70 GLU HB2 H 1 2.082 0.003 . . . . . . 67 GLU HB2 . 7203 1 618 . 1 1 70 70 GLU HB3 H 1 1.963 0.005 . . . . . . 67 GLU HB3 . 7203 1 619 . 1 1 70 70 GLU HG2 H 1 2.261 0.005 . . . . . . 67 GLU HG2 . 7203 1 620 . 1 1 70 70 GLU CA C 13 56.549 0.043 . . . . . . 67 GLU CA . 7203 1 621 . 1 1 70 70 GLU CB C 13 30.172 0.069 . . . . . . 67 GLU CB . 7203 1 622 . 1 1 70 70 GLU N N 15 122.329 0.000 . . . . . . 67 GLU N . 7203 1 623 . 1 1 71 71 CYS H H 1 8.381 0.001 . . . . . . 68 CYS H . 7203 1 624 . 1 1 71 71 CYS HA H 1 4.481 0.000 . . . . . . 68 CYS HA . 7203 1 625 . 1 1 71 71 CYS HB2 H 1 2.947 0.000 . . . . . . 68 CYS HB2 . 7203 1 626 . 1 1 71 71 CYS HB3 H 1 2.882 0.000 . . . . . . 68 CYS HB3 . 7203 1 627 . 1 1 71 71 CYS CA C 13 58.557 0.132 . . . . . . 68 CYS CA . 7203 1 628 . 1 1 71 71 CYS CB C 13 27.877 0.000 . . . . . . 68 CYS CB . 7203 1 629 . 1 1 71 71 CYS N N 15 120.302 0.000 . . . . . . 68 CYS N . 7203 1 630 . 1 1 72 72 ARG H H 1 8.438 0.000 . . . . . . 69 ARG H . 7203 1 631 . 1 1 72 72 ARG HA H 1 4.390 0.002 . . . . . . 69 ARG HA . 7203 1 632 . 1 1 72 72 ARG HB2 H 1 1.890 0.004 . . . . . . 69 ARG HB2 . 7203 1 633 . 1 1 72 72 ARG HB3 H 1 1.777 0.009 . . . . . . 69 ARG HB3 . 7203 1 634 . 1 1 72 72 ARG HG2 H 1 1.637 0.004 . . . . . . 69 ARG HG2 . 7203 1 635 . 1 1 72 72 ARG HD2 H 1 3.187 0.006 . . . . . . 69 ARG HD2 . 7203 1 636 . 1 1 72 72 ARG HE H 1 7.236 0.001 . . . . . . 69 ARG HE . 7203 1 637 . 1 1 72 72 ARG CA C 13 55.959 0.024 . . . . . . 69 ARG CA . 7203 1 638 . 1 1 72 72 ARG CB C 13 30.835 0.017 . . . . . . 69 ARG CB . 7203 1 639 . 1 1 72 72 ARG N N 15 123.834 0.000 . . . . . . 69 ARG N . 7203 1 640 . 1 1 73 73 SER H H 1 8.448 0.001 . . . . . . 70 SER H . 7203 1 641 . 1 1 73 73 SER CA C 13 58.220 0.060 . . . . . . 70 SER CA . 7203 1 642 . 1 1 73 73 SER CB C 13 63.803 0.000 . . . . . . 70 SER CB . 7203 1 643 . 1 1 73 73 SER N N 15 117.255 0.000 . . . . . . 70 SER N . 7203 1 644 . 1 1 74 74 VAL H H 1 8.238 0.001 . . . . . . 71 VAL H . 7203 1 645 . 1 1 74 74 VAL HA H 1 4.235 0.001 . . . . . . 71 VAL HA . 7203 1 646 . 1 1 74 74 VAL HB H 1 2.136 0.001 . . . . . . 71 VAL HB . 7203 1 647 . 1 1 74 74 VAL HG11 H 1 0.954 0.007 . . . . . . 71 VAL HG1 . 7203 1 648 . 1 1 74 74 VAL HG12 H 1 0.954 0.007 . . . . . . 71 VAL HG1 . 7203 1 649 . 1 1 74 74 VAL HG13 H 1 0.954 0.007 . . . . . . 71 VAL HG1 . 7203 1 650 . 1 1 74 74 VAL HG21 H 1 0.954 0.007 . . . . . . 71 VAL HG2 . 7203 1 651 . 1 1 74 74 VAL HG22 H 1 0.954 0.007 . . . . . . 71 VAL HG2 . 7203 1 652 . 1 1 74 74 VAL HG23 H 1 0.954 0.007 . . . . . . 71 VAL HG2 . 7203 1 653 . 1 1 74 74 VAL CA C 13 62.179 0.035 . . . . . . 71 VAL CA . 7203 1 654 . 1 1 74 74 VAL CB C 13 32.646 0.080 . . . . . . 71 VAL CB . 7203 1 655 . 1 1 74 74 VAL N N 15 121.317 0.000 . . . . . . 71 VAL N . 7203 1 656 . 1 1 75 75 THR H H 1 8.173 0.000 . . . . . . 72 THR H . 7203 1 657 . 1 1 75 75 THR HA H 1 4.401 0.001 . . . . . . 72 THR HA . 7203 1 658 . 1 1 75 75 THR HB H 1 4.293 0.008 . . . . . . 72 THR HB . 7203 1 659 . 1 1 75 75 THR HG21 H 1 1.173 0.005 . . . . . . 72 THR HG2 . 7203 1 660 . 1 1 75 75 THR HG22 H 1 1.173 0.005 . . . . . . 72 THR HG2 . 7203 1 661 . 1 1 75 75 THR HG23 H 1 1.173 0.005 . . . . . . 72 THR HG2 . 7203 1 662 . 1 1 75 75 THR CA C 13 61.264 0.046 . . . . . . 72 THR CA . 7203 1 663 . 1 1 75 75 THR CB C 13 69.852 0.082 . . . . . . 72 THR CB . 7203 1 664 . 1 1 75 75 THR N N 15 116.114 0.000 . . . . . . 72 THR N . 7203 1 665 . 1 1 76 76 ASP H H 1 7.908 0.003 . . . . . . 73 ASP H . 7203 1 666 . 1 1 76 76 ASP HA H 1 4.390 0.009 . . . . . . 73 ASP HA . 7203 1 667 . 1 1 76 76 ASP HB2 H 1 2.683 0.010 . . . . . . 73 ASP HB2 . 7203 1 668 . 1 1 76 76 ASP HB3 H 1 2.562 0.008 . . . . . . 73 ASP HB3 . 7203 1 669 . 1 1 76 76 ASP CA C 13 55.895 0.000 . . . . . . 73 ASP CA . 7203 1 670 . 1 1 76 76 ASP CB C 13 42.283 0.000 . . . . . . 73 ASP CB . 7203 1 671 . 1 1 76 76 ASP N N 15 127.616 0.000 . . . . . . 73 ASP N . 7203 1 stop_ save_