data_18355 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18355 _Entry.Title ; NMR Structure of Signal Sequence Deleted (SSD) Rv0603 Protein from Mycobacterium tuberculosis without N-terminal His-tag ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-03-28 _Entry.Accession_date 2012-03-28 _Entry.Last_release_date 2013-05-20 _Entry.Original_release_date 2013-05-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Sarita Tripathi . . . 18355 2 'S. V. S. R. Krishna' Pulavarti . . . 18355 3 Rahul Yadav . . . 18355 4 Anupam Jain . . . 18355 5 'Prem Prakash' Pathak . . . 18355 6 'Akshaya Kumar' Meher . . . 18355 7 Ashish Arora . . . 18355 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18355 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 18355 SSD . 18355 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18355 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 308 18355 '15N chemical shifts' 76 18355 '1H chemical shifts' 481 18355 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 . . 2013-05-20 2012-03-28 original author . 18355 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18356 'ADF like UNC-60A Protein' 18355 PDB 2LRA 'BMRB Entry Tracking System' 18355 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18355 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR Structure of Signal Sequence Deleted (SSD) Rv0603 Protein from Mycobacterium tuberculosis without N-terminal His-tag' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Sarita Tripathi . . . 18355 1 2 'S. V. S. R. Krishna' Pulavarti . . . 18355 1 3 Rahul Yadav . . . 18355 1 4 Anupam Jain . . . 18355 1 5 'Prem Prakash' Pathak . . . 18355 1 6 'Akshaya Kumar' Meher . . . 18355 1 7 Ashish Arora . . . 18355 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18355 _Assembly.ID 1 _Assembly.Name Rv0603-SSD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 Rv0603-SSD 1 $Rv0603-SSD A . yes native no no . . . 18355 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rv0603-SSD _Entity.Sf_category entity _Entity.Sf_framecode Rv0603-SSD _Entity.Entry_ID 18355 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rv0603-SSD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMAFDGEDEVTGPDADRAR AAAVQAVPGGTAGEVETETG EGAAAYGVLVTRPDGTRVEV HLDRDFRVLDTEPADGDGGL E ; _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8235.826 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 2KGY . "Solution Structure Of Rv0603 Protein From Mycobacterium Tuberculosis H37rv" . . . . . 97.53 102 100.00 100.00 1.31e-44 . . . . 18355 1 2 no PDB 2LRA . "Nmr Structure Of Signal Sequence Deleted (ssd) Rv0603 Protein From Mycobacterium Tuberculosis Without N-terminal His-tag" . . . . . 100.00 81 100.00 100.00 1.55e-45 . . . . 18355 1 3 no DBJ BAH24912 . "hypothetical protein JTY_0618 [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 96.30 103 98.72 98.72 7.94e-43 . . . . 18355 1 4 no DBJ BAL64478 . "hypothetical protein ERDMAN_0663 [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 96.30 103 98.72 98.72 7.94e-43 . . . . 18355 1 5 no DBJ BAQ04491 . "hypothetical protein KURONO_0672 [Mycobacterium tuberculosis str. Kurono]" . . . . . 96.30 103 98.72 98.72 7.94e-43 . . . . 18355 1 6 no EMBL CAL70634 . "Possible exported protein [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 96.30 103 98.72 98.72 7.94e-43 . . . . 18355 1 7 no EMBL CCC63207 . "possible exported protein [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 96.30 103 98.72 98.72 7.94e-43 . . . . 18355 1 8 no EMBL CCE36143 . "unnamed protein product [Mycobacterium tuberculosis UT205]" . . . . . 96.30 103 98.72 98.72 7.94e-43 . . . . 18355 1 9 no EMBL CCG10466 . "putative EXPORTED protein [Mycobacterium tuberculosis 7199-99]" . . . . . 96.30 103 98.72 98.72 7.94e-43 . . . . 18355 1 10 no EMBL CCP43342 . "Possible exported protein [Mycobacterium tuberculosis H37Rv]" . . . . . 96.30 103 98.72 98.72 7.94e-43 . . . . 18355 1 11 no GB ABQ72334 . "putative exported protein [Mycobacterium tuberculosis H37Ra]" . . . . . 96.30 103 98.72 98.72 7.94e-43 . . . . 18355 1 12 no GB ABR04957 . "hypothetical exported protein [Mycobacterium tuberculosis F11]" . . . . . 96.30 103 98.72 98.72 7.94e-43 . . . . 18355 1 13 no GB ACT23643 . "hypothetical exported protein [Mycobacterium tuberculosis KZN 1435]" . . . . . 96.30 103 98.72 98.72 7.94e-43 . . . . 18355 1 14 no GB AEB02743 . "hypothetical exported protein [Mycobacterium tuberculosis KZN 4207]" . . . . . 96.30 103 98.72 98.72 7.94e-43 . . . . 18355 1 15 no GB AEJ45755 . "hypothetical protein CCDC5079_0565 [Mycobacterium tuberculosis CCDC5079]" . . . . . 96.30 103 98.72 98.72 7.94e-43 . . . . 18355 1 16 no REF NP_215117 . "hypothetical protein Rv0603 [Mycobacterium tuberculosis H37Rv]" . . . . . 96.30 103 98.72 98.72 7.94e-43 . . . . 18355 1 17 no REF WP_003403164 . "MULTISPECIES: hypothetical protein [Mycobacterium]" . . . . . 96.30 103 98.72 98.72 7.94e-43 . . . . 18355 1 18 no REF WP_016721382 . "hypothetical protein [Mycobacterium tuberculosis]" . . . . . 96.30 103 97.44 97.44 3.12e-42 . . . . 18355 1 19 no REF WP_024456667 . "hypothetical protein [Mycobacterium bovis]" . . . . . 96.30 103 97.44 97.44 1.46e-41 . . . . 18355 1 20 no REF WP_031707638 . "hypothetical protein, partial [Mycobacterium tuberculosis]" . . . . . 82.72 67 100.00 100.00 1.35e-35 . . . . 18355 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 . 18355 1 2 . ALA . 18355 1 3 . MET . 18355 1 4 . ALA . 18355 1 5 . PHE . 18355 1 6 . ASP . 18355 1 7 . GLY . 18355 1 8 . GLU . 18355 1 9 . ASP . 18355 1 10 . GLU . 18355 1 11 . VAL . 18355 1 12 . THR . 18355 1 13 . GLY . 18355 1 14 . PRO . 18355 1 15 . ASP . 18355 1 16 . ALA . 18355 1 17 . ASP . 18355 1 18 . ARG . 18355 1 19 . ALA . 18355 1 20 . ARG . 18355 1 21 . ALA . 18355 1 22 . ALA . 18355 1 23 . ALA . 18355 1 24 . VAL . 18355 1 25 . GLN . 18355 1 26 . ALA . 18355 1 27 . VAL . 18355 1 28 . PRO . 18355 1 29 . GLY . 18355 1 30 . GLY . 18355 1 31 . THR . 18355 1 32 . ALA . 18355 1 33 . GLY . 18355 1 34 . GLU . 18355 1 35 . VAL . 18355 1 36 . GLU . 18355 1 37 . THR . 18355 1 38 . GLU . 18355 1 39 . THR . 18355 1 40 . GLY . 18355 1 41 . GLU . 18355 1 42 . GLY . 18355 1 43 . ALA . 18355 1 44 . ALA . 18355 1 45 . ALA . 18355 1 46 . TYR . 18355 1 47 . GLY . 18355 1 48 . VAL . 18355 1 49 . LEU . 18355 1 50 . VAL . 18355 1 51 . THR . 18355 1 52 . ARG . 18355 1 53 . PRO . 18355 1 54 . ASP . 18355 1 55 . GLY . 18355 1 56 . THR . 18355 1 57 . ARG . 18355 1 58 . VAL . 18355 1 59 . GLU . 18355 1 60 . VAL . 18355 1 61 . HIS . 18355 1 62 . LEU . 18355 1 63 . ASP . 18355 1 64 . ARG . 18355 1 65 . ASP . 18355 1 66 . PHE . 18355 1 67 . ARG . 18355 1 68 . VAL . 18355 1 69 . LEU . 18355 1 70 . ASP . 18355 1 71 . THR . 18355 1 72 . GLU . 18355 1 73 . PRO . 18355 1 74 . ALA . 18355 1 75 . ASP . 18355 1 76 . GLY . 18355 1 77 . ASP . 18355 1 78 . GLY . 18355 1 79 . GLY . 18355 1 80 . LEU . 18355 1 81 . GLU . 18355 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 18355 1 . ALA 2 2 18355 1 . MET 3 3 18355 1 . ALA 4 4 18355 1 . PHE 5 5 18355 1 . ASP 6 6 18355 1 . GLY 7 7 18355 1 . GLU 8 8 18355 1 . ASP 9 9 18355 1 . GLU 10 10 18355 1 . VAL 11 11 18355 1 . THR 12 12 18355 1 . GLY 13 13 18355 1 . PRO 14 14 18355 1 . ASP 15 15 18355 1 . ALA 16 16 18355 1 . ASP 17 17 18355 1 . ARG 18 18 18355 1 . ALA 19 19 18355 1 . ARG 20 20 18355 1 . ALA 21 21 18355 1 . ALA 22 22 18355 1 . ALA 23 23 18355 1 . VAL 24 24 18355 1 . GLN 25 25 18355 1 . ALA 26 26 18355 1 . VAL 27 27 18355 1 . PRO 28 28 18355 1 . GLY 29 29 18355 1 . GLY 30 30 18355 1 . THR 31 31 18355 1 . ALA 32 32 18355 1 . GLY 33 33 18355 1 . GLU 34 34 18355 1 . VAL 35 35 18355 1 . GLU 36 36 18355 1 . THR 37 37 18355 1 . GLU 38 38 18355 1 . THR 39 39 18355 1 . GLY 40 40 18355 1 . GLU 41 41 18355 1 . GLY 42 42 18355 1 . ALA 43 43 18355 1 . ALA 44 44 18355 1 . ALA 45 45 18355 1 . TYR 46 46 18355 1 . GLY 47 47 18355 1 . VAL 48 48 18355 1 . LEU 49 49 18355 1 . VAL 50 50 18355 1 . THR 51 51 18355 1 . ARG 52 52 18355 1 . PRO 53 53 18355 1 . ASP 54 54 18355 1 . GLY 55 55 18355 1 . THR 56 56 18355 1 . ARG 57 57 18355 1 . VAL 58 58 18355 1 . GLU 59 59 18355 1 . VAL 60 60 18355 1 . HIS 61 61 18355 1 . LEU 62 62 18355 1 . ASP 63 63 18355 1 . ARG 64 64 18355 1 . ASP 65 65 18355 1 . PHE 66 66 18355 1 . ARG 67 67 18355 1 . VAL 68 68 18355 1 . LEU 69 69 18355 1 . ASP 70 70 18355 1 . THR 71 71 18355 1 . GLU 72 72 18355 1 . PRO 73 73 18355 1 . ALA 74 74 18355 1 . ASP 75 75 18355 1 . GLY 76 76 18355 1 . ASP 77 77 18355 1 . GLY 78 78 18355 1 . GLY 79 79 18355 1 . LEU 80 80 18355 1 . GLU 81 81 18355 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 18355 _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 $Rv0603-SSD . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 18355 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 18355 _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 $Rv0603-SSD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21(DE3) . . . . . . . . . . . . . . pET-NH6 . . . . . . 18355 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18355 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N-Labeled Rv0603-SSD' _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 Rv0603-SSD '[U-99% 15N]' . . 1 $Rv0603-SSD . . 1 . . mM . . . . 18355 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18355 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18355 1 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 18355 1 5 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 1 . . mM . . . . 18355 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18355 1 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 18355 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18355 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C-15N Doible labeled Rv0603-SSD' _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 Rv0603-SSD '[U-99% 13C; U-99% 15N]' . . 1 $Rv0603-SSD . . 1 . . mM . . . . 18355 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18355 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18355 2 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 18355 2 5 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 1 . . mM . . . . 18355 2 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 18355 2 7 D2O 'natural abundance' . . . . . . 7 . . % . . . . 18355 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18355 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C-15N Doible labeled Rv0603-SSD' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 Rv0603-SSD '[U-99% 13C; U-99% 15N]' . . 1 $Rv0603-SSD . . 1 . . mM . . . . 18355 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18355 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18355 3 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 18355 3 5 'AEBSF protease inhibitor' 'natural abundance' . . . . . . 1 . . mM . . . . 18355 3 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18355 3 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 18355 _Sample_condition_list.ID 1 _Sample_condition_list.Details '15N Labeled Rv0603-SSD, 13C-15N Double Labeled Rv0603-SSD' 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' 50 0.1 mM 18355 1 pH 6.5 0.01 pH 18355 1 pressure 1 . atm 18355 1 temperature 298 0.01 K 18355 1 stop_ save_ ############################ # Computer software used # ############################ save_Cyana3.0 _Software.Sf_category software _Software.Sf_framecode Cyana3.0 _Software.Entry_ID 18355 _Software.ID 1 _Software.Name Cyana3.0 _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18355 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18355 1 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 18355 _Software.ID 2 _Software.Name PSVS _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 18355 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'validation of structure quality' 18355 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 18355 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; NMR Facility for Macromolecules CSIR-CDRI Lucknow ; _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 18355 _NMR_spectrometer_list.ID 1 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 Varian INOVA . 600 ; NMR Facility for Macromolecules CSIR-CDRI Lucknow ; . . 18355 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 18355 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18355 1 2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18355 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18355 1 4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18355 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18355 1 6 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18355 1 7 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18355 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18355 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18355 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18355 1 11 '2D CB(CGCD)HD' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18355 1 12 '2D CB(CGCE)HE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18355 1 13 '2D 1H-1H NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18355 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18355 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18355 1 16 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18355 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 18355 _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 0.00 na indirect 0.251449530 . . . . . . . . . 18355 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18355 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18355 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 18355 _Assigned_chem_shift_list.ID 1 _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' . . . 18355 1 2 '3D HNCACB' . . . 18355 1 3 '3D CBCA(CO)NH' . . . 18355 1 4 '3D HNCO' . . . 18355 1 5 '3D HN(CO)CA' . . . 18355 1 6 '3D H(CCO)NH' . . . 18355 1 7 '3D C(CO)NH' . . . 18355 1 8 '3D HCCH-TOCSY' . . . 18355 1 9 '2D 1H-13C HSQC aliphatic' . . . 18355 1 10 '2D 1H-13C HSQC aromatic' . . . 18355 1 11 '2D CB(CGCD)HD' . . . 18355 1 12 '2D CB(CGCE)HE' . . . 18355 1 13 '2D 1H-1H NOESY aromatic' . . . 18355 1 14 '3D 1H-15N NOESY' . . . 18355 1 15 '3D 1H-13C NOESY aliphatic' . . . 18355 1 16 '3D 1H-13C NOESY aromatic' . . . 18355 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 2 2 ALA HA H 1 4.339 0.020 . 1 . . . A 2 ALA HA . 18355 1 2 . 1 1 2 2 ALA HB1 H 1 1.378 0.020 . 1 . . . A 2 ALA HB1 . 18355 1 3 . 1 1 2 2 ALA HB2 H 1 1.378 0.020 . 1 . . . A 2 ALA HB2 . 18355 1 4 . 1 1 2 2 ALA HB3 H 1 1.378 0.020 . 1 . . . A 2 ALA HB3 . 18355 1 5 . 1 1 2 2 ALA CA C 13 52.220 0.3 . 1 . . . A 2 ALA CA . 18355 1 6 . 1 1 2 2 ALA CB C 13 19.484 0.3 . 1 . . . A 2 ALA CB . 18355 1 7 . 1 1 3 3 MET H H 1 8.451 0.020 . 1 . . . A 3 MET H . 18355 1 8 . 1 1 3 3 MET HA H 1 4.381 0.020 . 1 . . . A 3 MET HA . 18355 1 9 . 1 1 3 3 MET HB2 H 1 1.943 0.020 . 2 . . . A 3 MET HB2 . 18355 1 10 . 1 1 3 3 MET HB3 H 1 2.497 0.020 . 2 . . . A 3 MET HB3 . 18355 1 11 . 1 1 3 3 MET HG2 H 1 1.985 0.020 . 2 . . . A 3 MET HG2 . 18355 1 12 . 1 1 3 3 MET HG3 H 1 2.529 0.020 . 2 . . . A 3 MET HG3 . 18355 1 13 . 1 1 3 3 MET C C 13 173.043 0.3 . 1 . . . A 3 MET C . 18355 1 14 . 1 1 3 3 MET CA C 13 55.337 0.3 . 1 . . . A 3 MET CA . 18355 1 15 . 1 1 3 3 MET CB C 13 33.034 0.3 . 1 . . . A 3 MET CB . 18355 1 16 . 1 1 3 3 MET CG C 13 32.107 0.3 . 1 . . . A 3 MET CG . 18355 1 17 . 1 1 3 3 MET N N 15 119.476 0.3 . 1 . . . A 3 MET N . 18355 1 18 . 1 1 4 4 ALA H H 1 8.261 0.020 . 1 . . . A 4 ALA H . 18355 1 19 . 1 1 4 4 ALA HA H 1 4.260 0.020 . 1 . . . A 4 ALA HA . 18355 1 20 . 1 1 4 4 ALA HB1 H 1 1.284 0.020 . 1 . . . A 4 ALA HB1 . 18355 1 21 . 1 1 4 4 ALA HB2 H 1 1.284 0.020 . 1 . . . A 4 ALA HB2 . 18355 1 22 . 1 1 4 4 ALA HB3 H 1 1.284 0.020 . 1 . . . A 4 ALA HB3 . 18355 1 23 . 1 1 4 4 ALA C C 13 174.773 0.3 . 1 . . . A 4 ALA C . 18355 1 24 . 1 1 4 4 ALA CA C 13 52.486 0.3 . 1 . . . A 4 ALA CA . 18355 1 25 . 1 1 4 4 ALA CB C 13 19.360 0.3 . 1 . . . A 4 ALA CB . 18355 1 26 . 1 1 4 4 ALA N N 15 125.085 0.3 . 1 . . . A 4 ALA N . 18355 1 27 . 1 1 5 5 PHE H H 1 8.251 0.020 . 1 . . . A 5 PHE H . 18355 1 28 . 1 1 5 5 PHE HA H 1 4.585 0.020 . 1 . . . A 5 PHE HA . 18355 1 29 . 1 1 5 5 PHE HB2 H 1 3.019 0.020 . 2 . . . A 5 PHE HB2 . 18355 1 30 . 1 1 5 5 PHE HB3 H 1 3.147 0.020 . 2 . . . A 5 PHE HB3 . 18355 1 31 . 1 1 5 5 PHE HD1 H 1 7.155 0.020 . 1 . . . A 5 PHE HD1 . 18355 1 32 . 1 1 5 5 PHE HD2 H 1 7.155 0.020 . 1 . . . A 5 PHE HD2 . 18355 1 33 . 1 1 5 5 PHE HE1 H 1 6.660 0.020 . 3 . . . A 5 PHE HE1 . 18355 1 34 . 1 1 5 5 PHE HE2 H 1 6.935 0.020 . 3 . . . A 5 PHE HE2 . 18355 1 35 . 1 1 5 5 PHE HZ H 1 7.233 0.020 . 1 . . . A 5 PHE HZ . 18355 1 36 . 1 1 5 5 PHE C C 13 172.996 0.3 . 1 . . . A 5 PHE C . 18355 1 37 . 1 1 5 5 PHE CA C 13 57.578 0.3 . 1 . . . A 5 PHE CA . 18355 1 38 . 1 1 5 5 PHE CB C 13 39.352 0.3 . 1 . . . A 5 PHE CB . 18355 1 39 . 1 1 5 5 PHE CD1 C 13 134.122 0.3 . 1 . . . A 5 PHE CD1 . 18355 1 40 . 1 1 5 5 PHE CD2 C 13 134.122 0.3 . 1 . . . A 5 PHE CD2 . 18355 1 41 . 1 1 5 5 PHE CE1 C 13 135.339 0.3 . 1 . . . A 5 PHE CE1 . 18355 1 42 . 1 1 5 5 PHE CE2 C 13 137.131 0.3 . 1 . . . A 5 PHE CE2 . 18355 1 43 . 1 1 5 5 PHE CZ C 13 136.944 0.3 . 1 . . . A 5 PHE CZ . 18355 1 44 . 1 1 5 5 PHE N N 15 119.233 0.3 . 1 . . . A 5 PHE N . 18355 1 45 . 1 1 6 6 ASP H H 1 8.289 0.020 . 1 . . . A 6 ASP H . 18355 1 46 . 1 1 6 6 ASP HA H 1 4.590 0.020 . 1 . . . A 6 ASP HA . 18355 1 47 . 1 1 6 6 ASP HB2 H 1 2.607 0.020 . 2 . . . A 6 ASP HB2 . 18355 1 48 . 1 1 6 6 ASP HB3 H 1 2.641 0.020 . 2 . . . A 6 ASP HB3 . 18355 1 49 . 1 1 6 6 ASP C C 13 173.991 0.3 . 1 . . . A 6 ASP C . 18355 1 50 . 1 1 6 6 ASP CA C 13 54.284 0.3 . 1 . . . A 6 ASP CA . 18355 1 51 . 1 1 6 6 ASP CB C 13 41.364 0.3 . 1 . . . A 6 ASP CB . 18355 1 52 . 1 1 6 6 ASP N N 15 121.737 0.3 . 1 . . . A 6 ASP N . 18355 1 53 . 1 1 7 7 GLY H H 1 8.061 0.020 . 1 . . . A 7 GLY H . 18355 1 54 . 1 1 7 7 GLY HA2 H 1 3.942 0.020 . 2 . . . A 7 GLY HA2 . 18355 1 55 . 1 1 7 7 GLY HA3 H 1 3.952 0.020 . 2 . . . A 7 GLY HA3 . 18355 1 56 . 1 1 7 7 GLY C C 13 171.859 0.3 . 1 . . . A 7 GLY C . 18355 1 57 . 1 1 7 7 GLY CA C 13 45.493 0.3 . 1 . . . A 7 GLY CA . 18355 1 58 . 1 1 7 7 GLY N N 15 109.196 0.3 . 1 . . . A 7 GLY N . 18355 1 59 . 1 1 8 8 GLU H H 1 8.245 0.020 . 1 . . . A 8 GLU H . 18355 1 60 . 1 1 8 8 GLU HA H 1 4.308 0.020 . 1 . . . A 8 GLU HA . 18355 1 61 . 1 1 8 8 GLU HB2 H 1 1.915 0.020 . 2 . . . A 8 GLU HB2 . 18355 1 62 . 1 1 8 8 GLU HB3 H 1 1.915 0.020 . 2 . . . A 8 GLU HB3 . 18355 1 63 . 1 1 8 8 GLU HG2 H 1 2.236 0.020 . 1 . . . A 8 GLU HG2 . 18355 1 64 . 1 1 8 8 GLU HG3 H 1 2.236 0.020 . 1 . . . A 8 GLU HG3 . 18355 1 65 . 1 1 8 8 GLU C C 13 173.802 0.3 . 1 . . . A 8 GLU C . 18355 1 66 . 1 1 8 8 GLU CA C 13 56.572 0.3 . 1 . . . A 8 GLU CA . 18355 1 67 . 1 1 8 8 GLU CB C 13 30.369 0.3 . 1 . . . A 8 GLU CB . 18355 1 68 . 1 1 8 8 GLU CG C 13 36.231 0.3 . 1 . . . A 8 GLU CG . 18355 1 69 . 1 1 8 8 GLU N N 15 120.473 0.3 . 1 . . . A 8 GLU N . 18355 1 70 . 1 1 9 9 ASP H H 1 8.404 0.020 . 1 . . . A 9 ASP H . 18355 1 71 . 1 1 9 9 ASP HA H 1 4.648 0.020 . 1 . . . A 9 ASP HA . 18355 1 72 . 1 1 9 9 ASP HB2 H 1 2.592 0.020 . 2 . . . A 9 ASP HB2 . 18355 1 73 . 1 1 9 9 ASP HB3 H 1 2.749 0.020 . 2 . . . A 9 ASP HB3 . 18355 1 74 . 1 1 9 9 ASP C C 13 173.446 0.3 . 1 . . . A 9 ASP C . 18355 1 75 . 1 1 9 9 ASP CA C 13 54.351 0.3 . 1 . . . A 9 ASP CA . 18355 1 76 . 1 1 9 9 ASP CB C 13 41.407 0.3 . 1 . . . A 9 ASP CB . 18355 1 77 . 1 1 9 9 ASP N N 15 120.765 0.3 . 1 . . . A 9 ASP N . 18355 1 78 . 1 1 10 10 GLU H H 1 8.184 0.020 . 1 . . . A 10 GLU H . 18355 1 79 . 1 1 10 10 GLU HA H 1 4.363 0.020 . 1 . . . A 10 GLU HA . 18355 1 80 . 1 1 10 10 GLU HB2 H 1 1.978 0.020 . 2 . . . A 10 GLU HB2 . 18355 1 81 . 1 1 10 10 GLU HB3 H 1 2.030 0.020 . 2 . . . A 10 GLU HB3 . 18355 1 82 . 1 1 10 10 GLU HG2 H 1 2.230 0.020 . 2 . . . A 10 GLU HG2 . 18355 1 83 . 1 1 10 10 GLU HG3 H 1 2.282 0.020 . 2 . . . A 10 GLU HG3 . 18355 1 84 . 1 1 10 10 GLU C C 13 173.802 0.3 . 1 . . . A 10 GLU C . 18355 1 85 . 1 1 10 10 GLU CA C 13 56.459 0.3 . 1 . . . A 10 GLU CA . 18355 1 86 . 1 1 10 10 GLU CB C 13 30.750 0.3 . 1 . . . A 10 GLU CB . 18355 1 87 . 1 1 10 10 GLU CG C 13 36.231 0.3 . 1 . . . A 10 GLU CG . 18355 1 88 . 1 1 10 10 GLU N N 15 120.972 0.3 . 1 . . . A 10 GLU N . 18355 1 89 . 1 1 11 11 VAL H H 1 8.357 0.020 . 1 . . . A 11 VAL H . 18355 1 90 . 1 1 11 11 VAL HA H 1 4.252 0.020 . 1 . . . A 11 VAL HA . 18355 1 91 . 1 1 11 11 VAL HB H 1 2.016 0.020 . 1 . . . A 11 VAL HB . 18355 1 92 . 1 1 11 11 VAL HG11 H 1 1.022 0.020 . 1 . . . A 11 VAL HG11 . 18355 1 93 . 1 1 11 11 VAL HG12 H 1 1.022 0.020 . 1 . . . A 11 VAL HG12 . 18355 1 94 . 1 1 11 11 VAL HG13 H 1 1.022 0.020 . 1 . . . A 11 VAL HG13 . 18355 1 95 . 1 1 11 11 VAL HG21 H 1 0.990 0.020 . 1 . . . A 11 VAL HG21 . 18355 1 96 . 1 1 11 11 VAL HG22 H 1 0.990 0.020 . 1 . . . A 11 VAL HG22 . 18355 1 97 . 1 1 11 11 VAL HG23 H 1 0.990 0.020 . 1 . . . A 11 VAL HG23 . 18355 1 98 . 1 1 11 11 VAL C C 13 173.612 0.3 . 1 . . . A 11 VAL C . 18355 1 99 . 1 1 11 11 VAL CA C 13 62.249 0.3 . 1 . . . A 11 VAL CA . 18355 1 100 . 1 1 11 11 VAL CB C 13 32.574 0.3 . 1 . . . A 11 VAL CB . 18355 1 101 . 1 1 11 11 VAL CG1 C 13 23.062 0.3 . 1 . . . A 11 VAL CG1 . 18355 1 102 . 1 1 11 11 VAL CG2 C 13 21.463 0.3 . 1 . . . A 11 VAL CG2 . 18355 1 103 . 1 1 11 11 VAL N N 15 123.292 0.3 . 1 . . . A 11 VAL N . 18355 1 104 . 1 1 12 12 THR H H 1 8.466 0.020 . 1 . . . A 12 THR H . 18355 1 105 . 1 1 12 12 THR HA H 1 4.502 0.020 . 1 . . . A 12 THR HA . 18355 1 106 . 1 1 12 12 THR HB H 1 4.293 0.020 . 1 . . . A 12 THR HB . 18355 1 107 . 1 1 12 12 THR HG21 H 1 1.233 0.020 . 1 . . . A 12 THR HG21 . 18355 1 108 . 1 1 12 12 THR HG22 H 1 1.233 0.020 . 1 . . . A 12 THR HG22 . 18355 1 109 . 1 1 12 12 THR HG23 H 1 1.233 0.020 . 1 . . . A 12 THR HG23 . 18355 1 110 . 1 1 12 12 THR C C 13 172.238 0.3 . 1 . . . A 12 THR C . 18355 1 111 . 1 1 12 12 THR CA C 13 61.121 0.3 . 1 . . . A 12 THR CA . 18355 1 112 . 1 1 12 12 THR CB C 13 70.673 0.3 . 1 . . . A 12 THR CB . 18355 1 113 . 1 1 12 12 THR CG2 C 13 21.471 0.3 . 1 . . . A 12 THR CG2 . 18355 1 114 . 1 1 12 12 THR N N 15 118.143 0.3 . 1 . . . A 12 THR N . 18355 1 115 . 1 1 13 13 GLY H H 1 8.542 0.020 . 1 . . . A 13 GLY H . 18355 1 116 . 1 1 13 13 GLY HA2 H 1 4.037 0.020 . 2 . . . A 13 GLY HA2 . 18355 1 117 . 1 1 13 13 GLY HA3 H 1 4.219 0.020 . 2 . . . A 13 GLY HA3 . 18355 1 118 . 1 1 13 13 GLY C C 13 170.461 0.3 . 1 . . . A 13 GLY C . 18355 1 119 . 1 1 13 13 GLY CA C 13 45.548 0.3 . 1 . . . A 13 GLY CA . 18355 1 120 . 1 1 13 13 GLY N N 15 109.939 0.3 . 1 . . . A 13 GLY N . 18355 1 121 . 1 1 14 14 PRO HA H 1 4.384 0.020 . 1 . . . A 14 PRO HA . 18355 1 122 . 1 1 14 14 PRO HB2 H 1 2.351 0.020 . 2 . . . A 14 PRO HB2 . 18355 1 123 . 1 1 14 14 PRO HB3 H 1 2.350 0.020 . 2 . . . A 14 PRO HB3 . 18355 1 124 . 1 1 14 14 PRO HG2 H 1 2.082 0.020 . 2 . . . A 14 PRO HG2 . 18355 1 125 . 1 1 14 14 PRO HG3 H 1 2.006 0.020 . 2 . . . A 14 PRO HG3 . 18355 1 126 . 1 1 14 14 PRO HD2 H 1 3.781 0.020 . 2 . . . A 14 PRO HD2 . 18355 1 127 . 1 1 14 14 PRO HD3 H 1 3.671 0.020 . 2 . . . A 14 PRO HD3 . 18355 1 128 . 1 1 14 14 PRO C C 13 176.147 0.3 . 1 . . . A 14 PRO C . 18355 1 129 . 1 1 14 14 PRO CA C 13 64.374 0.3 . 1 . . . A 14 PRO CA . 18355 1 130 . 1 1 14 14 PRO CB C 13 32.120 0.3 . 1 . . . A 14 PRO CB . 18355 1 131 . 1 1 14 14 PRO CG C 13 27.477 0.3 . 1 . . . A 14 PRO CG . 18355 1 132 . 1 1 14 14 PRO CD C 13 50.168 0.3 . 1 . . . A 14 PRO CD . 18355 1 133 . 1 1 15 15 ASP H H 1 8.379 0.020 . 1 . . . A 15 ASP H . 18355 1 134 . 1 1 15 15 ASP HA H 1 4.363 0.020 . 1 . . . A 15 ASP HA . 18355 1 135 . 1 1 15 15 ASP HB2 H 1 2.738 0.020 . 1 . . . A 15 ASP HB2 . 18355 1 136 . 1 1 15 15 ASP HB3 H 1 2.738 0.020 . 1 . . . A 15 ASP HB3 . 18355 1 137 . 1 1 15 15 ASP C C 13 174.749 0.3 . 1 . . . A 15 ASP C . 18355 1 138 . 1 1 15 15 ASP CA C 13 56.448 0.3 . 1 . . . A 15 ASP CA . 18355 1 139 . 1 1 15 15 ASP CB C 13 40.402 0.3 . 1 . . . A 15 ASP CB . 18355 1 140 . 1 1 15 15 ASP N N 15 119.623 0.3 . 1 . . . A 15 ASP N . 18355 1 141 . 1 1 16 16 ALA H H 1 8.060 0.020 . 1 . . . A 16 ALA H . 18355 1 142 . 1 1 16 16 ALA HA H 1 3.837 0.020 . 1 . . . A 16 ALA HA . 18355 1 143 . 1 1 16 16 ALA HB1 H 1 1.407 0.020 . 1 . . . A 16 ALA HB1 . 18355 1 144 . 1 1 16 16 ALA HB2 H 1 1.407 0.020 . 1 . . . A 16 ALA HB2 . 18355 1 145 . 1 1 16 16 ALA HB3 H 1 1.407 0.020 . 1 . . . A 16 ALA HB3 . 18355 1 146 . 1 1 16 16 ALA C C 13 176.763 0.3 . 1 . . . A 16 ALA C . 18355 1 147 . 1 1 16 16 ALA CA C 13 55.413 0.3 . 1 . . . A 16 ALA CA . 18355 1 148 . 1 1 16 16 ALA CB C 13 17.683 0.3 . 1 . . . A 16 ALA CB . 18355 1 149 . 1 1 16 16 ALA N N 15 122.831 0.3 . 1 . . . A 16 ALA N . 18355 1 150 . 1 1 17 17 ASP H H 1 7.846 0.020 . 1 . . . A 17 ASP H . 18355 1 151 . 1 1 17 17 ASP HA H 1 4.351 0.020 . 1 . . . A 17 ASP HA . 18355 1 152 . 1 1 17 17 ASP HB2 H 1 2.613 0.020 . 2 . . . A 17 ASP HB2 . 18355 1 153 . 1 1 17 17 ASP HB3 H 1 2.665 0.020 . 2 . . . A 17 ASP HB3 . 18355 1 154 . 1 1 17 17 ASP C C 13 176.905 0.3 . 1 . . . A 17 ASP C . 18355 1 155 . 1 1 17 17 ASP CA C 13 57.341 0.3 . 1 . . . A 17 ASP CA . 18355 1 156 . 1 1 17 17 ASP CB C 13 40.113 0.3 . 1 . . . A 17 ASP CB . 18355 1 157 . 1 1 17 17 ASP N N 15 117.128 0.3 . 1 . . . A 17 ASP N . 18355 1 158 . 1 1 18 18 ARG H H 1 7.680 0.020 . 1 . . . A 18 ARG H . 18355 1 159 . 1 1 18 18 ARG HA H 1 3.730 0.020 . 1 . . . A 18 ARG HA . 18355 1 160 . 1 1 18 18 ARG HB2 H 1 1.128 0.020 . 2 . . . A 18 ARG HB2 . 18355 1 161 . 1 1 18 18 ARG HB3 H 1 0.758 0.020 . 2 . . . A 18 ARG HB3 . 18355 1 162 . 1 1 18 18 ARG HG2 H 1 0.927 0.020 . 2 . . . A 18 ARG HG2 . 18355 1 163 . 1 1 18 18 ARG HG3 H 1 1.377 0.020 . 2 . . . A 18 ARG HG3 . 18355 1 164 . 1 1 18 18 ARG HD2 H 1 2.489 0.020 . 2 . . . A 18 ARG HD2 . 18355 1 165 . 1 1 18 18 ARG HD3 H 1 2.726 0.020 . 2 . . . A 18 ARG HD3 . 18355 1 166 . 1 1 18 18 ARG C C 13 176.550 0.3 . 1 . . . A 18 ARG C . 18355 1 167 . 1 1 18 18 ARG CA C 13 58.919 0.3 . 1 . . . A 18 ARG CA . 18355 1 168 . 1 1 18 18 ARG CB C 13 29.390 0.3 . 1 . . . A 18 ARG CB . 18355 1 169 . 1 1 18 18 ARG CG C 13 27.176 0.3 . 1 . . . A 18 ARG CG . 18355 1 170 . 1 1 18 18 ARG CD C 13 43.510 0.3 . 1 . . . A 18 ARG CD . 18355 1 171 . 1 1 18 18 ARG N N 15 121.742 0.3 . 1 . . . A 18 ARG N . 18355 1 172 . 1 1 19 19 ALA H H 1 8.000 0.020 . 1 . . . A 19 ALA H . 18355 1 173 . 1 1 19 19 ALA HA H 1 3.867 0.020 . 1 . . . A 19 ALA HA . 18355 1 174 . 1 1 19 19 ALA HB1 H 1 1.101 0.020 . 1 . . . A 19 ALA HB1 . 18355 1 175 . 1 1 19 19 ALA HB2 H 1 1.101 0.020 . 1 . . . A 19 ALA HB2 . 18355 1 176 . 1 1 19 19 ALA HB3 H 1 1.101 0.020 . 1 . . . A 19 ALA HB3 . 18355 1 177 . 1 1 19 19 ALA C C 13 176.550 0.3 . 1 . . . A 19 ALA C . 18355 1 178 . 1 1 19 19 ALA CA C 13 54.996 0.3 . 1 . . . A 19 ALA CA . 18355 1 179 . 1 1 19 19 ALA CB C 13 17.551 0.3 . 1 . . . A 19 ALA CB . 18355 1 180 . 1 1 19 19 ALA N N 15 122.839 0.3 . 1 . . . A 19 ALA N . 18355 1 181 . 1 1 20 20 ARG H H 1 8.353 0.020 . 1 . . . A 20 ARG H . 18355 1 182 . 1 1 20 20 ARG HA H 1 3.607 0.020 . 1 . . . A 20 ARG HA . 18355 1 183 . 1 1 20 20 ARG HB2 H 1 1.134 0.020 . 2 . . . A 20 ARG HB2 . 18355 1 184 . 1 1 20 20 ARG HB3 H 1 1.990 0.020 . 2 . . . A 20 ARG HB3 . 18355 1 185 . 1 1 20 20 ARG HG2 H 1 1.672 0.020 . 1 . . . A 20 ARG HG2 . 18355 1 186 . 1 1 20 20 ARG HG3 H 1 1.672 0.020 . 1 . . . A 20 ARG HG3 . 18355 1 187 . 1 1 20 20 ARG HD2 H 1 3.177 0.020 . 1 . . . A 20 ARG HD2 . 18355 1 188 . 1 1 20 20 ARG HD3 H 1 3.177 0.020 . 1 . . . A 20 ARG HD3 . 18355 1 189 . 1 1 20 20 ARG C C 13 175.176 0.3 . 1 . . . A 20 ARG C . 18355 1 190 . 1 1 20 20 ARG CA C 13 61.222 0.3 . 1 . . . A 20 ARG CA . 18355 1 191 . 1 1 20 20 ARG CB C 13 30.369 0.3 . 1 . . . A 20 ARG CB . 18355 1 192 . 1 1 20 20 ARG CG C 13 26.627 0.3 . 1 . . . A 20 ARG CG . 18355 1 193 . 1 1 20 20 ARG CD C 13 43.325 0.3 . 1 . . . A 20 ARG CD . 18355 1 194 . 1 1 20 20 ARG N N 15 117.069 0.3 . 1 . . . A 20 ARG N . 18355 1 195 . 1 1 21 21 ALA H H 1 7.652 0.020 . 1 . . . A 21 ALA H . 18355 1 196 . 1 1 21 21 ALA HA H 1 4.037 0.020 . 1 . . . A 21 ALA HA . 18355 1 197 . 1 1 21 21 ALA HB1 H 1 1.369 0.020 . 1 . . . A 21 ALA HB1 . 18355 1 198 . 1 1 21 21 ALA HB2 H 1 1.369 0.020 . 1 . . . A 21 ALA HB2 . 18355 1 199 . 1 1 21 21 ALA HB3 H 1 1.369 0.020 . 1 . . . A 21 ALA HB3 . 18355 1 200 . 1 1 21 21 ALA C C 13 177.900 0.3 . 1 . . . A 21 ALA C . 18355 1 201 . 1 1 21 21 ALA CA C 13 54.699 0.3 . 1 . . . A 21 ALA CA . 18355 1 202 . 1 1 21 21 ALA CB C 13 17.851 0.3 . 1 . . . A 21 ALA CB . 18355 1 203 . 1 1 21 21 ALA N N 15 119.280 0.3 . 1 . . . A 21 ALA N . 18355 1 204 . 1 1 22 22 ALA H H 1 7.689 0.020 . 1 . . . A 22 ALA H . 18355 1 205 . 1 1 22 22 ALA HA H 1 4.149 0.020 . 1 . . . A 22 ALA HA . 18355 1 206 . 1 1 22 22 ALA HB1 H 1 1.572 0.020 . 1 . . . A 22 ALA HB1 . 18355 1 207 . 1 1 22 22 ALA HB2 H 1 1.572 0.020 . 1 . . . A 22 ALA HB2 . 18355 1 208 . 1 1 22 22 ALA HB3 H 1 1.572 0.020 . 1 . . . A 22 ALA HB3 . 18355 1 209 . 1 1 22 22 ALA C C 13 177.900 0.3 . 1 . . . A 22 ALA C . 18355 1 210 . 1 1 22 22 ALA CA C 13 54.336 0.3 . 1 . . . A 22 ALA CA . 18355 1 211 . 1 1 22 22 ALA CB C 13 19.402 0.3 . 1 . . . A 22 ALA CB . 18355 1 212 . 1 1 22 22 ALA N N 15 120.091 0.3 . 1 . . . A 22 ALA N . 18355 1 213 . 1 1 23 23 ALA H H 1 8.240 0.020 . 1 . . . A 23 ALA H . 18355 1 214 . 1 1 23 23 ALA HA H 1 3.965 0.020 . 1 . . . A 23 ALA HA . 18355 1 215 . 1 1 23 23 ALA HB1 H 1 1.286 0.020 . 1 . . . A 23 ALA HB1 . 18355 1 216 . 1 1 23 23 ALA HB2 H 1 1.286 0.020 . 1 . . . A 23 ALA HB2 . 18355 1 217 . 1 1 23 23 ALA HB3 H 1 1.286 0.020 . 1 . . . A 23 ALA HB3 . 18355 1 218 . 1 1 23 23 ALA C C 13 176.360 0.3 . 1 . . . A 23 ALA C . 18355 1 219 . 1 1 23 23 ALA CA C 13 55.272 0.3 . 1 . . . A 23 ALA CA . 18355 1 220 . 1 1 23 23 ALA CB C 13 19.360 0.3 . 1 . . . A 23 ALA CB . 18355 1 221 . 1 1 23 23 ALA N N 15 119.943 0.3 . 1 . . . A 23 ALA N . 18355 1 222 . 1 1 24 24 VAL H H 1 7.868 0.020 . 1 . . . A 24 VAL H . 18355 1 223 . 1 1 24 24 VAL HA H 1 3.725 0.020 . 1 . . . A 24 VAL HA . 18355 1 224 . 1 1 24 24 VAL HB H 1 2.153 0.020 . 1 . . . A 24 VAL HB . 18355 1 225 . 1 1 24 24 VAL HG11 H 1 1.000 0.020 . 1 . . . A 24 VAL HG11 . 18355 1 226 . 1 1 24 24 VAL HG12 H 1 1.000 0.020 . 1 . . . A 24 VAL HG12 . 18355 1 227 . 1 1 24 24 VAL HG13 H 1 1.000 0.020 . 1 . . . A 24 VAL HG13 . 18355 1 228 . 1 1 24 24 VAL HG21 H 1 0.950 0.020 . 1 . . . A 24 VAL HG21 . 18355 1 229 . 1 1 24 24 VAL HG22 H 1 0.950 0.020 . 1 . . . A 24 VAL HG22 . 18355 1 230 . 1 1 24 24 VAL HG23 H 1 0.950 0.020 . 1 . . . A 24 VAL HG23 . 18355 1 231 . 1 1 24 24 VAL C C 13 175.768 0.3 . 1 . . . A 24 VAL C . 18355 1 232 . 1 1 24 24 VAL CA C 13 65.052 0.3 . 1 . . . A 24 VAL CA . 18355 1 233 . 1 1 24 24 VAL CB C 13 31.375 0.3 . 1 . . . A 24 VAL CB . 18355 1 234 . 1 1 24 24 VAL CG1 C 13 22.118 0.3 . 1 . . . A 24 VAL CG1 . 18355 1 235 . 1 1 24 24 VAL CG2 C 13 22.112 0.3 . 1 . . . A 24 VAL CG2 . 18355 1 236 . 1 1 24 24 VAL N N 15 112.340 0.3 . 1 . . . A 24 VAL N . 18355 1 237 . 1 1 25 25 GLN H H 1 7.323 0.020 . 1 . . . A 25 GLN H . 18355 1 238 . 1 1 25 25 GLN HA H 1 4.039 0.020 . 1 . . . A 25 GLN HA . 18355 1 239 . 1 1 25 25 GLN HB2 H 1 2.158 0.020 . 2 . . . A 25 GLN HB2 . 18355 1 240 . 1 1 25 25 GLN HB3 H 1 2.159 0.020 . 2 . . . A 25 GLN HB3 . 18355 1 241 . 1 1 25 25 GLN HG2 H 1 2.417 0.020 . 2 . . . A 25 GLN HG2 . 18355 1 242 . 1 1 25 25 GLN HG3 H 1 2.531 0.020 . 2 . . . A 25 GLN HG3 . 18355 1 243 . 1 1 25 25 GLN HE21 H 1 6.846 0.020 . 1 . . . A 25 GLN HE21 . 18355 1 244 . 1 1 25 25 GLN HE22 H 1 7.480 0.020 . 1 . . . A 25 GLN HE22 . 18355 1 245 . 1 1 25 25 GLN C C 13 174.607 0.3 . 1 . . . A 25 GLN C . 18355 1 246 . 1 1 25 25 GLN CA C 13 58.030 0.3 . 1 . . . A 25 GLN CA . 18355 1 247 . 1 1 25 25 GLN CB C 13 28.462 0.3 . 1 . . . A 25 GLN CB . 18355 1 248 . 1 1 25 25 GLN CG C 13 34.105 0.3 . 1 . . . A 25 GLN CG . 18355 1 249 . 1 1 25 25 GLN N N 15 119.112 0.3 . 1 . . . A 25 GLN N . 18355 1 250 . 1 1 25 25 GLN NE2 N 15 112.154 0.3 . 1 . . . A 25 GLN NE2 . 18355 1 251 . 1 1 26 26 ALA H H 1 7.212 0.020 . 1 . . . A 26 ALA H . 18355 1 252 . 1 1 26 26 ALA HA H 1 4.313 0.020 . 1 . . . A 26 ALA HA . 18355 1 253 . 1 1 26 26 ALA HB1 H 1 1.556 0.020 . 1 . . . A 26 ALA HB1 . 18355 1 254 . 1 1 26 26 ALA HB2 H 1 1.556 0.020 . 1 . . . A 26 ALA HB2 . 18355 1 255 . 1 1 26 26 ALA HB3 H 1 1.556 0.020 . 1 . . . A 26 ALA HB3 . 18355 1 256 . 1 1 26 26 ALA C C 13 174.583 0.3 . 1 . . . A 26 ALA C . 18355 1 257 . 1 1 26 26 ALA CA C 13 52.677 0.3 . 1 . . . A 26 ALA CA . 18355 1 258 . 1 1 26 26 ALA CB C 13 19.751 0.3 . 1 . . . A 26 ALA CB . 18355 1 259 . 1 1 26 26 ALA N N 15 118.209 0.3 . 1 . . . A 26 ALA N . 18355 1 260 . 1 1 27 27 VAL H H 1 7.312 0.020 . 1 . . . A 27 VAL H . 18355 1 261 . 1 1 27 27 VAL HA H 1 4.291 0.020 . 1 . . . A 27 VAL HA . 18355 1 262 . 1 1 27 27 VAL HB H 1 2.066 0.020 . 1 . . . A 27 VAL HB . 18355 1 263 . 1 1 27 27 VAL HG11 H 1 0.741 0.020 . 1 . . . A 27 VAL HG11 . 18355 1 264 . 1 1 27 27 VAL HG12 H 1 0.741 0.020 . 1 . . . A 27 VAL HG12 . 18355 1 265 . 1 1 27 27 VAL HG13 H 1 0.741 0.020 . 1 . . . A 27 VAL HG13 . 18355 1 266 . 1 1 27 27 VAL HG21 H 1 0.740 0.020 . 1 . . . A 27 VAL HG21 . 18355 1 267 . 1 1 27 27 VAL HG22 H 1 0.740 0.020 . 1 . . . A 27 VAL HG22 . 18355 1 268 . 1 1 27 27 VAL HG23 H 1 0.740 0.020 . 1 . . . A 27 VAL HG23 . 18355 1 269 . 1 1 27 27 VAL CA C 13 58.752 0.3 . 1 . . . A 27 VAL CA . 18355 1 270 . 1 1 27 27 VAL CB C 13 32.840 0.3 . 1 . . . A 27 VAL CB . 18355 1 271 . 1 1 27 27 VAL CG1 C 13 19.938 0.3 . 1 . . . A 27 VAL CG1 . 18355 1 272 . 1 1 27 27 VAL CG2 C 13 19.934 0.3 . 1 . . . A 27 VAL CG2 . 18355 1 273 . 1 1 27 27 VAL N N 15 119.112 0.3 . 1 . . . A 27 VAL N . 18355 1 274 . 1 1 28 28 PRO HA H 1 4.378 0.020 . 1 . . . A 28 PRO HA . 18355 1 275 . 1 1 28 28 PRO HB2 H 1 2.271 0.020 . 2 . . . A 28 PRO HB2 . 18355 1 276 . 1 1 28 28 PRO HB3 H 1 1.873 0.020 . 2 . . . A 28 PRO HB3 . 18355 1 277 . 1 1 28 28 PRO HG2 H 1 1.933 0.020 . 2 . . . A 28 PRO HG2 . 18355 1 278 . 1 1 28 28 PRO HG3 H 1 2.006 0.020 . 2 . . . A 28 PRO HG3 . 18355 1 279 . 1 1 28 28 PRO HD2 H 1 3.485 0.020 . 2 . . . A 28 PRO HD2 . 18355 1 280 . 1 1 28 28 PRO HD3 H 1 3.566 0.020 . 2 . . . A 28 PRO HD3 . 18355 1 281 . 1 1 28 28 PRO C C 13 176.147 0.3 . 1 . . . A 28 PRO C . 18355 1 282 . 1 1 28 28 PRO CA C 13 64.090 0.3 . 1 . . . A 28 PRO CA . 18355 1 283 . 1 1 28 28 PRO CB C 13 31.579 0.3 . 1 . . . A 28 PRO CB . 18355 1 284 . 1 1 28 28 PRO CG C 13 27.519 0.3 . 1 . . . A 28 PRO CG . 18355 1 285 . 1 1 28 28 PRO CD C 13 50.134 0.3 . 1 . . . A 28 PRO CD . 18355 1 286 . 1 1 29 29 GLY H H 1 8.794 0.020 . 1 . . . A 29 GLY H . 18355 1 287 . 1 1 29 29 GLY HA2 H 1 3.727 0.020 . 2 . . . A 29 GLY HA2 . 18355 1 288 . 1 1 29 29 GLY HA3 H 1 4.092 0.020 . 2 . . . A 29 GLY HA3 . 18355 1 289 . 1 1 29 29 GLY C C 13 172.617 0.3 . 1 . . . A 29 GLY C . 18355 1 290 . 1 1 29 29 GLY CA C 13 45.210 0.3 . 1 . . . A 29 GLY CA . 18355 1 291 . 1 1 29 29 GLY N N 15 112.612 0.3 . 1 . . . A 29 GLY N . 18355 1 292 . 1 1 30 30 GLY H H 1 8.746 0.020 . 1 . . . A 30 GLY H . 18355 1 293 . 1 1 30 30 GLY HA2 H 1 3.241 0.020 . 2 . . . A 30 GLY HA2 . 18355 1 294 . 1 1 30 30 GLY HA3 H 1 4.343 0.020 . 2 . . . A 30 GLY HA3 . 18355 1 295 . 1 1 30 30 GLY C C 13 169.514 0.3 . 1 . . . A 30 GLY C . 18355 1 296 . 1 1 30 30 GLY CA C 13 44.877 0.3 . 1 . . . A 30 GLY CA . 18355 1 297 . 1 1 30 30 GLY N N 15 107.549 0.3 . 1 . . . A 30 GLY N . 18355 1 298 . 1 1 31 31 THR H H 1 8.442 0.020 . 1 . . . A 31 THR H . 18355 1 299 . 1 1 31 31 THR HA H 1 4.523 0.020 . 1 . . . A 31 THR HA . 18355 1 300 . 1 1 31 31 THR HB H 1 3.964 0.020 . 1 . . . A 31 THR HB . 18355 1 301 . 1 1 31 31 THR HG21 H 1 1.168 0.020 . 1 . . . A 31 THR HG21 . 18355 1 302 . 1 1 31 31 THR HG22 H 1 1.168 0.020 . 1 . . . A 31 THR HG22 . 18355 1 303 . 1 1 31 31 THR HG23 H 1 1.168 0.020 . 1 . . . A 31 THR HG23 . 18355 1 304 . 1 1 31 31 THR C C 13 171.267 0.3 . 1 . . . A 31 THR C . 18355 1 305 . 1 1 31 31 THR CA C 13 61.258 0.3 . 1 . . . A 31 THR CA . 18355 1 306 . 1 1 31 31 THR CB C 13 70.713 0.3 . 1 . . . A 31 THR CB . 18355 1 307 . 1 1 31 31 THR CG2 C 13 21.539 0.3 . 1 . . . A 31 THR CG2 . 18355 1 308 . 1 1 31 31 THR N N 15 114.195 0.3 . 1 . . . A 31 THR N . 18355 1 309 . 1 1 32 32 ALA H H 1 9.130 0.020 . 1 . . . A 32 ALA H . 18355 1 310 . 1 1 32 32 ALA HA H 1 4.605 0.020 . 1 . . . A 32 ALA HA . 18355 1 311 . 1 1 32 32 ALA HB1 H 1 1.319 0.020 . 1 . . . A 32 ALA HB1 . 18355 1 312 . 1 1 32 32 ALA HB2 H 1 1.319 0.020 . 1 . . . A 32 ALA HB2 . 18355 1 313 . 1 1 32 32 ALA HB3 H 1 1.319 0.020 . 1 . . . A 32 ALA HB3 . 18355 1 314 . 1 1 32 32 ALA C C 13 173.991 0.3 . 1 . . . A 32 ALA C . 18355 1 315 . 1 1 32 32 ALA CA C 13 51.857 0.3 . 1 . . . A 32 ALA CA . 18355 1 316 . 1 1 32 32 ALA CB C 13 20.478 0.3 . 1 . . . A 32 ALA CB . 18355 1 317 . 1 1 32 32 ALA N N 15 130.398 0.3 . 1 . . . A 32 ALA N . 18355 1 318 . 1 1 33 33 GLY H H 1 8.774 0.020 . 1 . . . A 33 GLY H . 18355 1 319 . 1 1 33 33 GLY HA2 H 1 3.500 0.020 . 2 . . . A 33 GLY HA2 . 18355 1 320 . 1 1 33 33 GLY HA3 H 1 4.414 0.020 . 2 . . . A 33 GLY HA3 . 18355 1 321 . 1 1 33 33 GLY C C 13 170.295 0.3 . 1 . . . A 33 GLY C . 18355 1 322 . 1 1 33 33 GLY CA C 13 44.830 0.3 . 1 . . . A 33 GLY CA . 18355 1 323 . 1 1 33 33 GLY N N 15 112.887 0.3 . 1 . . . A 33 GLY N . 18355 1 324 . 1 1 34 34 GLU H H 1 8.977 0.020 . 1 . . . A 34 GLU H . 18355 1 325 . 1 1 34 34 GLU HA H 1 4.100 0.020 . 1 . . . A 34 GLU HA . 18355 1 326 . 1 1 34 34 GLU HB2 H 1 1.985 0.020 . 2 . . . A 34 GLU HB2 . 18355 1 327 . 1 1 34 34 GLU HB3 H 1 1.991 0.020 . 2 . . . A 34 GLU HB3 . 18355 1 328 . 1 1 34 34 GLU HG2 H 1 2.372 0.020 . 2 . . . A 34 GLU HG2 . 18355 1 329 . 1 1 34 34 GLU HG3 H 1 2.361 0.020 . 2 . . . A 34 GLU HG3 . 18355 1 330 . 1 1 34 34 GLU C C 13 172.641 0.3 . 1 . . . A 34 GLU C . 18355 1 331 . 1 1 34 34 GLU CA C 13 57.894 0.3 . 1 . . . A 34 GLU CA . 18355 1 332 . 1 1 34 34 GLU CB C 13 30.452 0.3 . 1 . . . A 34 GLU CB . 18355 1 333 . 1 1 34 34 GLU CG C 13 36.503 0.3 . 1 . . . A 34 GLU CG . 18355 1 334 . 1 1 34 34 GLU N N 15 127.346 0.3 . 1 . . . A 34 GLU N . 18355 1 335 . 1 1 35 35 VAL H H 1 8.439 0.020 . 1 . . . A 35 VAL H . 18355 1 336 . 1 1 35 35 VAL HA H 1 4.863 0.020 . 1 . . . A 35 VAL HA . 18355 1 337 . 1 1 35 35 VAL HB H 1 2.026 0.020 . 1 . . . A 35 VAL HB . 18355 1 338 . 1 1 35 35 VAL HG11 H 1 1.106 0.020 . 1 . . . A 35 VAL HG11 . 18355 1 339 . 1 1 35 35 VAL HG12 H 1 1.106 0.020 . 1 . . . A 35 VAL HG12 . 18355 1 340 . 1 1 35 35 VAL HG13 H 1 1.106 0.020 . 1 . . . A 35 VAL HG13 . 18355 1 341 . 1 1 35 35 VAL HG21 H 1 0.938 0.020 . 1 . . . A 35 VAL HG21 . 18355 1 342 . 1 1 35 35 VAL HG22 H 1 0.938 0.020 . 1 . . . A 35 VAL HG22 . 18355 1 343 . 1 1 35 35 VAL HG23 H 1 0.938 0.020 . 1 . . . A 35 VAL HG23 . 18355 1 344 . 1 1 35 35 VAL C C 13 172.664 0.3 . 1 . . . A 35 VAL C . 18355 1 345 . 1 1 35 35 VAL CA C 13 60.295 0.3 . 1 . . . A 35 VAL CA . 18355 1 346 . 1 1 35 35 VAL CB C 13 34.166 0.3 . 1 . . . A 35 VAL CB . 18355 1 347 . 1 1 35 35 VAL CG1 C 13 22.051 0.3 . 1 . . . A 35 VAL CG1 . 18355 1 348 . 1 1 35 35 VAL CG2 C 13 22.051 0.3 . 1 . . . A 35 VAL CG2 . 18355 1 349 . 1 1 35 35 VAL N N 15 122.148 0.3 . 1 . . . A 35 VAL N . 18355 1 350 . 1 1 36 36 GLU H H 1 9.528 0.020 . 1 . . . A 36 GLU H . 18355 1 351 . 1 1 36 36 GLU HA H 1 5.007 0.020 . 1 . . . A 36 GLU HA . 18355 1 352 . 1 1 36 36 GLU HB2 H 1 2.024 0.020 . 2 . . . A 36 GLU HB2 . 18355 1 353 . 1 1 36 36 GLU HB3 H 1 1.960 0.020 . 2 . . . A 36 GLU HB3 . 18355 1 354 . 1 1 36 36 GLU HG2 H 1 2.235 0.020 . 1 . . . A 36 GLU HG2 . 18355 1 355 . 1 1 36 36 GLU HG3 H 1 2.235 0.020 . 1 . . . A 36 GLU HG3 . 18355 1 356 . 1 1 36 36 GLU C C 13 173.778 0.3 . 1 . . . A 36 GLU C . 18355 1 357 . 1 1 36 36 GLU CA C 13 54.084 0.3 . 1 . . . A 36 GLU CA . 18355 1 358 . 1 1 36 36 GLU CB C 13 32.574 0.3 . 1 . . . A 36 GLU CB . 18355 1 359 . 1 1 36 36 GLU CG C 13 35.171 0.3 . 1 . . . A 36 GLU CG . 18355 1 360 . 1 1 36 36 GLU N N 15 127.230 0.3 . 1 . . . A 36 GLU N . 18355 1 361 . 1 1 37 37 THR H H 1 8.642 0.020 . 1 . . . A 37 THR H . 18355 1 362 . 1 1 37 37 THR HA H 1 4.611 0.020 . 1 . . . A 37 THR HA . 18355 1 363 . 1 1 37 37 THR HB H 1 4.133 0.020 . 1 . . . A 37 THR HB . 18355 1 364 . 1 1 37 37 THR HG21 H 1 1.201 0.020 . 1 . . . A 37 THR HG21 . 18355 1 365 . 1 1 37 37 THR HG22 H 1 1.201 0.020 . 1 . . . A 37 THR HG22 . 18355 1 366 . 1 1 37 37 THR HG23 H 1 1.201 0.020 . 1 . . . A 37 THR HG23 . 18355 1 367 . 1 1 37 37 THR C C 13 171.835 0.3 . 1 . . . A 37 THR C . 18355 1 368 . 1 1 37 37 THR CA C 13 61.444 0.3 . 1 . . . A 37 THR CA . 18355 1 369 . 1 1 37 37 THR CB C 13 69.710 0.3 . 1 . . . A 37 THR CB . 18355 1 370 . 1 1 37 37 THR CG2 C 13 22.251 0.3 . 1 . . . A 37 THR CG2 . 18355 1 371 . 1 1 37 37 THR N N 15 116.129 0.3 . 1 . . . A 37 THR N . 18355 1 372 . 1 1 38 38 GLU H H 1 7.672 0.020 . 1 . . . A 38 GLU H . 18355 1 373 . 1 1 38 38 GLU HA H 1 4.471 0.020 . 1 . . . A 38 GLU HA . 18355 1 374 . 1 1 38 38 GLU HB2 H 1 1.524 0.020 . 1 . . . A 38 GLU HB2 . 18355 1 375 . 1 1 38 38 GLU HB3 H 1 1.524 0.020 . 1 . . . A 38 GLU HB3 . 18355 1 376 . 1 1 38 38 GLU HG2 H 1 1.979 0.020 . 2 . . . A 38 GLU HG2 . 18355 1 377 . 1 1 38 38 GLU HG3 H 1 1.992 0.020 . 2 . . . A 38 GLU HG3 . 18355 1 378 . 1 1 38 38 GLU C C 13 173.422 0.3 . 1 . . . A 38 GLU C . 18355 1 379 . 1 1 38 38 GLU CA C 13 55.160 0.3 . 1 . . . A 38 GLU CA . 18355 1 380 . 1 1 38 38 GLU CB C 13 30.717 0.3 . 1 . . . A 38 GLU CB . 18355 1 381 . 1 1 38 38 GLU CG C 13 35.038 0.3 . 1 . . . A 38 GLU CG . 18355 1 382 . 1 1 38 38 GLU N N 15 123.135 0.3 . 1 . . . A 38 GLU N . 18355 1 383 . 1 1 39 39 THR H H 1 8.282 0.020 . 1 . . . A 39 THR H . 18355 1 384 . 1 1 39 39 THR HA H 1 4.414 0.020 . 1 . . . A 39 THR HA . 18355 1 385 . 1 1 39 39 THR HB H 1 4.210 0.020 . 1 . . . A 39 THR HB . 18355 1 386 . 1 1 39 39 THR HG21 H 1 1.085 0.020 . 1 . . . A 39 THR HG21 . 18355 1 387 . 1 1 39 39 THR HG22 H 1 1.085 0.020 . 1 . . . A 39 THR HG22 . 18355 1 388 . 1 1 39 39 THR HG23 H 1 1.085 0.020 . 1 . . . A 39 THR HG23 . 18355 1 389 . 1 1 39 39 THR C C 13 172.427 0.3 . 1 . . . A 39 THR C . 18355 1 390 . 1 1 39 39 THR CA C 13 61.259 0.3 . 1 . . . A 39 THR CA . 18355 1 391 . 1 1 39 39 THR CB C 13 69.907 0.3 . 1 . . . A 39 THR CB . 18355 1 392 . 1 1 39 39 THR CG2 C 13 21.585 0.3 . 1 . . . A 39 THR CG2 . 18355 1 393 . 1 1 39 39 THR N N 15 113.601 0.3 . 1 . . . A 39 THR N . 18355 1 394 . 1 1 40 40 GLY H H 1 8.263 0.020 . 1 . . . A 40 GLY H . 18355 1 395 . 1 1 40 40 GLY HA2 H 1 3.500 0.020 . 2 . . . A 40 GLY HA2 . 18355 1 396 . 1 1 40 40 GLY HA3 H 1 4.414 0.020 . 2 . . . A 40 GLY HA3 . 18355 1 397 . 1 1 40 40 GLY C C 13 171.456 0.3 . 1 . . . A 40 GLY C . 18355 1 398 . 1 1 40 40 GLY CA C 13 44.820 0.3 . 1 . . . A 40 GLY CA . 18355 1 399 . 1 1 40 40 GLY N N 15 111.108 0.3 . 1 . . . A 40 GLY N . 18355 1 400 . 1 1 41 41 GLU H H 1 8.408 0.020 . 1 . . . A 41 GLU H . 18355 1 401 . 1 1 41 41 GLU HA H 1 4.244 0.020 . 1 . . . A 41 GLU HA . 18355 1 402 . 1 1 41 41 GLU HB2 H 1 1.863 0.020 . 2 . . . A 41 GLU HB2 . 18355 1 403 . 1 1 41 41 GLU HB3 H 1 2.028 0.020 . 2 . . . A 41 GLU HB3 . 18355 1 404 . 1 1 41 41 GLU HG2 H 1 2.194 0.020 . 1 . . . A 41 GLU HG2 . 18355 1 405 . 1 1 41 41 GLU HG3 H 1 2.194 0.020 . 1 . . . A 41 GLU HG3 . 18355 1 406 . 1 1 41 41 GLU C C 13 174.560 0.3 . 1 . . . A 41 GLU C . 18355 1 407 . 1 1 41 41 GLU CA C 13 56.391 0.3 . 1 . . . A 41 GLU CA . 18355 1 408 . 1 1 41 41 GLU CB C 13 30.065 0.3 . 1 . . . A 41 GLU CB . 18355 1 409 . 1 1 41 41 GLU CG C 13 36.170 0.3 . 1 . . . A 41 GLU CG . 18355 1 410 . 1 1 41 41 GLU N N 15 120.424 0.3 . 1 . . . A 41 GLU N . 18355 1 411 . 1 1 42 42 GLY H H 1 8.342 0.020 . 1 . . . A 42 GLY H . 18355 1 412 . 1 1 42 42 GLY HA2 H 1 3.930 0.020 . 2 . . . A 42 GLY HA2 . 18355 1 413 . 1 1 42 42 GLY HA3 H 1 3.963 0.020 . 2 . . . A 42 GLY HA3 . 18355 1 414 . 1 1 42 42 GLY C C 13 171.101 0.3 . 1 . . . A 42 GLY C . 18355 1 415 . 1 1 42 42 GLY CA C 13 45.273 0.3 . 1 . . . A 42 GLY CA . 18355 1 416 . 1 1 42 42 GLY N N 15 110.637 0.3 . 1 . . . A 42 GLY N . 18355 1 417 . 1 1 43 43 ALA H H 1 8.156 0.020 . 1 . . . A 43 ALA H . 18355 1 418 . 1 1 43 43 ALA HA H 1 4.140 0.020 . 1 . . . A 43 ALA HA . 18355 1 419 . 1 1 43 43 ALA HB1 H 1 1.345 0.020 . 1 . . . A 43 ALA HB1 . 18355 1 420 . 1 1 43 43 ALA HB2 H 1 1.345 0.020 . 1 . . . A 43 ALA HB2 . 18355 1 421 . 1 1 43 43 ALA HB3 H 1 1.345 0.020 . 1 . . . A 43 ALA HB3 . 18355 1 422 . 1 1 43 43 ALA C C 13 175.365 0.3 . 1 . . . A 43 ALA C . 18355 1 423 . 1 1 43 43 ALA CA C 13 52.690 0.3 . 1 . . . A 43 ALA CA . 18355 1 424 . 1 1 43 43 ALA CB C 13 19.473 0.3 . 1 . . . A 43 ALA CB . 18355 1 425 . 1 1 43 43 ALA N N 15 122.114 0.3 . 1 . . . A 43 ALA N . 18355 1 426 . 1 1 44 44 ALA H H 1 7.816 0.020 . 1 . . . A 44 ALA H . 18355 1 427 . 1 1 44 44 ALA HA H 1 3.930 0.020 . 1 . . . A 44 ALA HA . 18355 1 428 . 1 1 44 44 ALA HB1 H 1 1.204 0.020 . 1 . . . A 44 ALA HB1 . 18355 1 429 . 1 1 44 44 ALA HB2 H 1 1.204 0.020 . 1 . . . A 44 ALA HB2 . 18355 1 430 . 1 1 44 44 ALA HB3 H 1 1.204 0.020 . 1 . . . A 44 ALA HB3 . 18355 1 431 . 1 1 44 44 ALA C C 13 173.233 0.3 . 1 . . . A 44 ALA C . 18355 1 432 . 1 1 44 44 ALA CA C 13 52.735 0.3 . 1 . . . A 44 ALA CA . 18355 1 433 . 1 1 44 44 ALA CB C 13 18.757 0.3 . 1 . . . A 44 ALA CB . 18355 1 434 . 1 1 44 44 ALA N N 15 120.032 0.3 . 1 . . . A 44 ALA N . 18355 1 435 . 1 1 45 45 ALA H H 1 8.841 0.020 . 1 . . . A 45 ALA H . 18355 1 436 . 1 1 45 45 ALA HA H 1 4.342 0.020 . 1 . . . A 45 ALA HA . 18355 1 437 . 1 1 45 45 ALA HB1 H 1 0.828 0.020 . 1 . . . A 45 ALA HB1 . 18355 1 438 . 1 1 45 45 ALA HB2 H 1 0.828 0.020 . 1 . . . A 45 ALA HB2 . 18355 1 439 . 1 1 45 45 ALA HB3 H 1 0.828 0.020 . 1 . . . A 45 ALA HB3 . 18355 1 440 . 1 1 45 45 ALA C C 13 174.583 0.3 . 1 . . . A 45 ALA C . 18355 1 441 . 1 1 45 45 ALA CA C 13 52.358 0.3 . 1 . . . A 45 ALA CA . 18355 1 442 . 1 1 45 45 ALA CB C 13 21.297 0.3 . 1 . . . A 45 ALA CB . 18355 1 443 . 1 1 45 45 ALA N N 15 124.258 0.3 . 1 . . . A 45 ALA N . 18355 1 444 . 1 1 46 46 TYR H H 1 7.997 0.020 . 1 . . . A 46 TYR H . 18355 1 445 . 1 1 46 46 TYR HA H 1 5.486 0.020 . 1 . . . A 46 TYR HA . 18355 1 446 . 1 1 46 46 TYR HB2 H 1 2.539 0.020 . 2 . . . A 46 TYR HB2 . 18355 1 447 . 1 1 46 46 TYR HB3 H 1 2.843 0.020 . 2 . . . A 46 TYR HB3 . 18355 1 448 . 1 1 46 46 TYR HD1 H 1 6.745 0.020 . 3 . . . A 46 TYR HD1 . 18355 1 449 . 1 1 46 46 TYR HD2 H 1 6.741 0.020 . 3 . . . A 46 TYR HD2 . 18355 1 450 . 1 1 46 46 TYR HE1 H 1 6.342 0.020 . 3 . . . A 46 TYR HE1 . 18355 1 451 . 1 1 46 46 TYR HE2 H 1 6.335 0.020 . 3 . . . A 46 TYR HE2 . 18355 1 452 . 1 1 46 46 TYR C C 13 172.048 0.3 . 1 . . . A 46 TYR C . 18355 1 453 . 1 1 46 46 TYR CA C 13 55.954 0.3 . 1 . . . A 46 TYR CA . 18355 1 454 . 1 1 46 46 TYR CB C 13 43.586 0.3 . 1 . . . A 46 TYR CB . 18355 1 455 . 1 1 46 46 TYR CD1 C 13 138.272 0.3 . 1 . . . A 46 TYR CD1 . 18355 1 456 . 1 1 46 46 TYR CD2 C 13 138.289 0.3 . 1 . . . A 46 TYR CD2 . 18355 1 457 . 1 1 46 46 TYR CE1 C 13 122.862 0.3 . 1 . . . A 46 TYR CE1 . 18355 1 458 . 1 1 46 46 TYR CE2 C 13 122.862 0.3 . 1 . . . A 46 TYR CE2 . 18355 1 459 . 1 1 46 46 TYR N N 15 114.162 0.3 . 1 . . . A 46 TYR N . 18355 1 460 . 1 1 47 47 GLY H H 1 9.216 0.020 . 1 . . . A 47 GLY H . 18355 1 461 . 1 1 47 47 GLY HA2 H 1 3.656 0.020 . 2 . . . A 47 GLY HA2 . 18355 1 462 . 1 1 47 47 GLY HA3 H 1 5.147 0.020 . 2 . . . A 47 GLY HA3 . 18355 1 463 . 1 1 47 47 GLY C C 13 170.106 0.3 . 1 . . . A 47 GLY C . 18355 1 464 . 1 1 47 47 GLY CA C 13 44.471 0.3 . 1 . . . A 47 GLY CA . 18355 1 465 . 1 1 47 47 GLY N N 15 110.989 0.3 . 1 . . . A 47 GLY N . 18355 1 466 . 1 1 48 48 VAL H H 1 9.074 0.020 . 1 . . . A 48 VAL H . 18355 1 467 . 1 1 48 48 VAL HA H 1 4.883 0.020 . 1 . . . A 48 VAL HA . 18355 1 468 . 1 1 48 48 VAL HB H 1 1.725 0.020 . 1 . . . A 48 VAL HB . 18355 1 469 . 1 1 48 48 VAL HG11 H 1 0.833 0.020 . 1 . . . A 48 VAL HG11 . 18355 1 470 . 1 1 48 48 VAL HG12 H 1 0.833 0.020 . 1 . . . A 48 VAL HG12 . 18355 1 471 . 1 1 48 48 VAL HG13 H 1 0.833 0.020 . 1 . . . A 48 VAL HG13 . 18355 1 472 . 1 1 48 48 VAL HG21 H 1 0.749 0.020 . 1 . . . A 48 VAL HG21 . 18355 1 473 . 1 1 48 48 VAL HG22 H 1 0.749 0.020 . 1 . . . A 48 VAL HG22 . 18355 1 474 . 1 1 48 48 VAL HG23 H 1 0.749 0.020 . 1 . . . A 48 VAL HG23 . 18355 1 475 . 1 1 48 48 VAL C C 13 172.072 0.3 . 1 . . . A 48 VAL C . 18355 1 476 . 1 1 48 48 VAL CA C 13 60.270 0.3 . 1 . . . A 48 VAL CA . 18355 1 477 . 1 1 48 48 VAL CB C 13 35.361 0.3 . 1 . . . A 48 VAL CB . 18355 1 478 . 1 1 48 48 VAL CG1 C 13 21.652 0.3 . 1 . . . A 48 VAL CG1 . 18355 1 479 . 1 1 48 48 VAL CG2 C 13 21.652 0.3 . 1 . . . A 48 VAL CG2 . 18355 1 480 . 1 1 48 48 VAL N N 15 123.795 0.3 . 1 . . . A 48 VAL N . 18355 1 481 . 1 1 49 49 LEU H H 1 8.421 0.020 . 1 . . . A 49 LEU H . 18355 1 482 . 1 1 49 49 LEU HA H 1 4.737 0.020 . 1 . . . A 49 LEU HA . 18355 1 483 . 1 1 49 49 LEU HB2 H 1 1.627 0.020 . 2 . . . A 49 LEU HB2 . 18355 1 484 . 1 1 49 49 LEU HB3 H 1 1.671 0.020 . 2 . . . A 49 LEU HB3 . 18355 1 485 . 1 1 49 49 LEU HG H 1 1.538 0.020 . 1 . . . A 49 LEU HG . 18355 1 486 . 1 1 49 49 LEU HD11 H 1 0.793 0.020 . 1 . . . A 49 LEU HD11 . 18355 1 487 . 1 1 49 49 LEU HD12 H 1 0.793 0.020 . 1 . . . A 49 LEU HD12 . 18355 1 488 . 1 1 49 49 LEU HD13 H 1 0.793 0.020 . 1 . . . A 49 LEU HD13 . 18355 1 489 . 1 1 49 49 LEU HD21 H 1 0.717 0.020 . 1 . . . A 49 LEU HD21 . 18355 1 490 . 1 1 49 49 LEU HD22 H 1 0.717 0.020 . 1 . . . A 49 LEU HD22 . 18355 1 491 . 1 1 49 49 LEU HD23 H 1 0.717 0.020 . 1 . . . A 49 LEU HD23 . 18355 1 492 . 1 1 49 49 LEU C C 13 173.802 0.3 . 1 . . . A 49 LEU C . 18355 1 493 . 1 1 49 49 LEU CA C 13 55.068 0.3 . 1 . . . A 49 LEU CA . 18355 1 494 . 1 1 49 49 LEU CB C 13 42.259 0.3 . 1 . . . A 49 LEU CB . 18355 1 495 . 1 1 49 49 LEU CG C 13 27.446 0.3 . 1 . . . A 49 LEU CG . 18355 1 496 . 1 1 49 49 LEU CD1 C 13 24.316 0.3 . 1 . . . A 49 LEU CD1 . 18355 1 497 . 1 1 49 49 LEU CD2 C 13 24.316 0.3 . 1 . . . A 49 LEU CD2 . 18355 1 498 . 1 1 49 49 LEU N N 15 130.018 0.3 . 1 . . . A 49 LEU N . 18355 1 499 . 1 1 50 50 VAL H H 1 9.528 0.020 . 1 . . . A 50 VAL H . 18355 1 500 . 1 1 50 50 VAL HA H 1 4.685 0.020 . 1 . . . A 50 VAL HA . 18355 1 501 . 1 1 50 50 VAL HB H 1 1.890 0.020 . 1 . . . A 50 VAL HB . 18355 1 502 . 1 1 50 50 VAL HG11 H 1 0.729 0.020 . 1 . . . A 50 VAL HG11 . 18355 1 503 . 1 1 50 50 VAL HG12 H 1 0.729 0.020 . 1 . . . A 50 VAL HG12 . 18355 1 504 . 1 1 50 50 VAL HG13 H 1 0.729 0.020 . 1 . . . A 50 VAL HG13 . 18355 1 505 . 1 1 50 50 VAL HG21 H 1 0.697 0.020 . 1 . . . A 50 VAL HG21 . 18355 1 506 . 1 1 50 50 VAL HG22 H 1 0.697 0.020 . 1 . . . A 50 VAL HG22 . 18355 1 507 . 1 1 50 50 VAL HG23 H 1 0.697 0.020 . 1 . . . A 50 VAL HG23 . 18355 1 508 . 1 1 50 50 VAL C C 13 172.214 0.3 . 1 . . . A 50 VAL C . 18355 1 509 . 1 1 50 50 VAL CA C 13 61.084 0.3 . 1 . . . A 50 VAL CA . 18355 1 510 . 1 1 50 50 VAL CB C 13 34.404 0.3 . 1 . . . A 50 VAL CB . 18355 1 511 . 1 1 50 50 VAL CG1 C 13 22.131 0.3 . 1 . . . A 50 VAL CG1 . 18355 1 512 . 1 1 50 50 VAL CG2 C 13 22.118 0.3 . 1 . . . A 50 VAL CG2 . 18355 1 513 . 1 1 50 50 VAL N N 15 128.320 0.3 . 1 . . . A 50 VAL N . 18355 1 514 . 1 1 51 51 THR H H 1 8.743 0.020 . 1 . . . A 51 THR H . 18355 1 515 . 1 1 51 51 THR HA H 1 4.842 0.020 . 1 . . . A 51 THR HA . 18355 1 516 . 1 1 51 51 THR HB H 1 3.932 0.020 . 1 . . . A 51 THR HB . 18355 1 517 . 1 1 51 51 THR HG21 H 1 1.252 0.020 . 1 . . . A 51 THR HG21 . 18355 1 518 . 1 1 51 51 THR HG22 H 1 1.252 0.020 . 1 . . . A 51 THR HG22 . 18355 1 519 . 1 1 51 51 THR HG23 H 1 1.252 0.020 . 1 . . . A 51 THR HG23 . 18355 1 520 . 1 1 51 51 THR C C 13 172.735 0.3 . 1 . . . A 51 THR C . 18355 1 521 . 1 1 51 51 THR CA C 13 61.959 0.3 . 1 . . . A 51 THR CA . 18355 1 522 . 1 1 51 51 THR CB C 13 69.461 0.3 . 1 . . . A 51 THR CB . 18355 1 523 . 1 1 51 51 THR CG2 C 13 21.378 0.3 . 1 . . . A 51 THR CG2 . 18355 1 524 . 1 1 51 51 THR N N 15 122.714 0.3 . 1 . . . A 51 THR N . 18355 1 525 . 1 1 52 52 ARG H H 1 9.404 0.020 . 1 . . . A 52 ARG H . 18355 1 526 . 1 1 52 52 ARG HA H 1 4.231 0.020 . 1 . . . A 52 ARG HA . 18355 1 527 . 1 1 52 52 ARG HB2 H 1 2.039 0.020 . 2 . . . A 52 ARG HB2 . 18355 1 528 . 1 1 52 52 ARG HB3 H 1 2.016 0.020 . 2 . . . A 52 ARG HB3 . 18355 1 529 . 1 1 52 52 ARG HG2 H 1 1.588 0.020 . 1 . . . A 52 ARG HG2 . 18355 1 530 . 1 1 52 52 ARG HG3 H 1 1.588 0.020 . 1 . . . A 52 ARG HG3 . 18355 1 531 . 1 1 52 52 ARG HD2 H 1 3.080 0.020 . 2 . . . A 52 ARG HD2 . 18355 1 532 . 1 1 52 52 ARG HD3 H 1 3.090 0.020 . 2 . . . A 52 ARG HD3 . 18355 1 533 . 1 1 52 52 ARG C C 13 173.612 0.3 . 1 . . . A 52 ARG C . 18355 1 534 . 1 1 52 52 ARG CA C 13 56.270 0.3 . 1 . . . A 52 ARG CA . 18355 1 535 . 1 1 52 52 ARG CB C 13 29.884 0.3 . 1 . . . A 52 ARG CB . 18355 1 536 . 1 1 52 52 ARG CG C 13 28.685 0.3 . 1 . . . A 52 ARG CG . 18355 1 537 . 1 1 52 52 ARG CD C 13 43.205 0.3 . 1 . . . A 52 ARG CD . 18355 1 538 . 1 1 52 52 ARG N N 15 127.522 0.3 . 1 . . . A 52 ARG N . 18355 1 539 . 1 1 53 53 PRO HA H 1 4.350 0.020 . 1 . . . A 53 PRO HA . 18355 1 540 . 1 1 53 53 PRO HB2 H 1 2.414 0.020 . 2 . . . A 53 PRO HB2 . 18355 1 541 . 1 1 53 53 PRO HB3 H 1 1.928 0.020 . 2 . . . A 53 PRO HB3 . 18355 1 542 . 1 1 53 53 PRO HG2 H 1 2.162 0.020 . 1 . . . A 53 PRO HG2 . 18355 1 543 . 1 1 53 53 PRO HG3 H 1 2.162 0.020 . 1 . . . A 53 PRO HG3 . 18355 1 544 . 1 1 53 53 PRO HD2 H 1 3.467 0.020 . 2 . . . A 53 PRO HD2 . 18355 1 545 . 1 1 53 53 PRO HD3 H 1 3.774 0.020 . 2 . . . A 53 PRO HD3 . 18355 1 546 . 1 1 53 53 PRO C C 13 173.825 0.3 . 1 . . . A 53 PRO C . 18355 1 547 . 1 1 53 53 PRO CA C 13 65.415 0.3 . 1 . . . A 53 PRO CA . 18355 1 548 . 1 1 53 53 PRO CB C 13 31.579 0.3 . 1 . . . A 53 PRO CB . 18355 1 549 . 1 1 53 53 PRO CG C 13 27.705 0.3 . 1 . . . A 53 PRO CG . 18355 1 550 . 1 1 53 53 PRO CD C 13 50.143 0.3 . 1 . . . A 53 PRO CD . 18355 1 551 . 1 1 54 54 ASP H H 1 7.299 0.020 . 1 . . . A 54 ASP H . 18355 1 552 . 1 1 54 54 ASP HA H 1 4.486 0.020 . 1 . . . A 54 ASP HA . 18355 1 553 . 1 1 54 54 ASP HB2 H 1 2.602 0.020 . 2 . . . A 54 ASP HB2 . 18355 1 554 . 1 1 54 54 ASP HB3 H 1 3.083 0.020 . 2 . . . A 54 ASP HB3 . 18355 1 555 . 1 1 54 54 ASP C C 13 174.583 0.3 . 1 . . . A 54 ASP C . 18355 1 556 . 1 1 54 54 ASP CA C 13 53.197 0.3 . 1 . . . A 54 ASP CA . 18355 1 557 . 1 1 54 54 ASP CB C 13 39.746 0.3 . 1 . . . A 54 ASP CB . 18355 1 558 . 1 1 54 54 ASP N N 15 112.927 0.3 . 1 . . . A 54 ASP N . 18355 1 559 . 1 1 55 55 GLY H H 1 8.380 0.020 . 1 . . . A 55 GLY H . 18355 1 560 . 1 1 55 55 GLY HA2 H 1 3.523 0.020 . 2 . . . A 55 GLY HA2 . 18355 1 561 . 1 1 55 55 GLY HA3 H 1 4.349 0.020 . 2 . . . A 55 GLY HA3 . 18355 1 562 . 1 1 55 55 GLY C C 13 172.427 0.3 . 1 . . . A 55 GLY C . 18355 1 563 . 1 1 55 55 GLY CA C 13 45.061 0.3 . 1 . . . A 55 GLY CA . 18355 1 564 . 1 1 55 55 GLY N N 15 108.870 0.3 . 1 . . . A 55 GLY N . 18355 1 565 . 1 1 56 56 THR H H 1 8.095 0.020 . 1 . . . A 56 THR H . 18355 1 566 . 1 1 56 56 THR HA H 1 4.361 0.020 . 1 . . . A 56 THR HA . 18355 1 567 . 1 1 56 56 THR HB H 1 4.287 0.020 . 1 . . . A 56 THR HB . 18355 1 568 . 1 1 56 56 THR HG21 H 1 1.200 0.020 . 1 . . . A 56 THR HG21 . 18355 1 569 . 1 1 56 56 THR HG22 H 1 1.200 0.020 . 1 . . . A 56 THR HG22 . 18355 1 570 . 1 1 56 56 THR HG23 H 1 1.200 0.020 . 1 . . . A 56 THR HG23 . 18355 1 571 . 1 1 56 56 THR C C 13 171.077 0.3 . 1 . . . A 56 THR C . 18355 1 572 . 1 1 56 56 THR CA C 13 62.478 0.3 . 1 . . . A 56 THR CA . 18355 1 573 . 1 1 56 56 THR CB C 13 70.596 0.3 . 1 . . . A 56 THR CB . 18355 1 574 . 1 1 56 56 THR CG2 C 13 22.251 0.3 . 1 . . . A 56 THR CG2 . 18355 1 575 . 1 1 56 56 THR N N 15 114.273 0.3 . 1 . . . A 56 THR N . 18355 1 576 . 1 1 57 57 ARG H H 1 8.750 0.020 . 1 . . . A 57 ARG H . 18355 1 577 . 1 1 57 57 ARG HA H 1 5.420 0.020 . 1 . . . A 57 ARG HA . 18355 1 578 . 1 1 57 57 ARG HB2 H 1 1.603 0.020 . 2 . . . A 57 ARG HB2 . 18355 1 579 . 1 1 57 57 ARG HB3 H 1 1.715 0.020 . 2 . . . A 57 ARG HB3 . 18355 1 580 . 1 1 57 57 ARG HG2 H 1 1.664 0.020 . 1 . . . A 57 ARG HG2 . 18355 1 581 . 1 1 57 57 ARG HG3 H 1 1.664 0.020 . 1 . . . A 57 ARG HG3 . 18355 1 582 . 1 1 57 57 ARG HD2 H 1 3.177 0.020 . 2 . . . A 57 ARG HD2 . 18355 1 583 . 1 1 57 57 ARG HD3 H 1 3.152 0.020 . 2 . . . A 57 ARG HD3 . 18355 1 584 . 1 1 57 57 ARG C C 13 173.612 0.3 . 1 . . . A 57 ARG C . 18355 1 585 . 1 1 57 57 ARG CA C 13 55.084 0.3 . 1 . . . A 57 ARG CA . 18355 1 586 . 1 1 57 57 ARG CB C 13 33.795 0.3 . 1 . . . A 57 ARG CB . 18355 1 587 . 1 1 57 57 ARG CG C 13 27.446 0.3 . 1 . . . A 57 ARG CG . 18355 1 588 . 1 1 57 57 ARG CD C 13 44.095 0.3 . 1 . . . A 57 ARG CD . 18355 1 589 . 1 1 57 57 ARG N N 15 120.054 0.3 . 1 . . . A 57 ARG N . 18355 1 590 . 1 1 58 58 VAL H H 1 9.344 0.020 . 1 . . . A 58 VAL H . 18355 1 591 . 1 1 58 58 VAL HA H 1 4.591 0.020 . 1 . . . A 58 VAL HA . 18355 1 592 . 1 1 58 58 VAL HB H 1 1.857 0.020 . 1 . . . A 58 VAL HB . 18355 1 593 . 1 1 58 58 VAL HG11 H 1 0.768 0.020 . 1 . . . A 58 VAL HG11 . 18355 1 594 . 1 1 58 58 VAL HG12 H 1 0.768 0.020 . 1 . . . A 58 VAL HG12 . 18355 1 595 . 1 1 58 58 VAL HG13 H 1 0.768 0.020 . 1 . . . A 58 VAL HG13 . 18355 1 596 . 1 1 58 58 VAL HG21 H 1 0.768 0.020 . 1 . . . A 58 VAL HG21 . 18355 1 597 . 1 1 58 58 VAL HG22 H 1 0.768 0.020 . 1 . . . A 58 VAL HG22 . 18355 1 598 . 1 1 58 58 VAL HG23 H 1 0.768 0.020 . 1 . . . A 58 VAL HG23 . 18355 1 599 . 1 1 58 58 VAL C C 13 170.461 0.3 . 1 . . . A 58 VAL C . 18355 1 600 . 1 1 58 58 VAL CA C 13 59.657 0.3 . 1 . . . A 58 VAL CA . 18355 1 601 . 1 1 58 58 VAL CB C 13 35.926 0.3 . 1 . . . A 58 VAL CB . 18355 1 602 . 1 1 58 58 VAL CG1 C 13 21.060 0.3 . 1 . . . A 58 VAL CG1 . 18355 1 603 . 1 1 58 58 VAL CG2 C 13 20.890 0.3 . 1 . . . A 58 VAL CG2 . 18355 1 604 . 1 1 58 58 VAL N N 15 121.327 0.3 . 1 . . . A 58 VAL N . 18355 1 605 . 1 1 59 59 GLU H H 1 9.145 0.020 . 1 . . . A 59 GLU H . 18355 1 606 . 1 1 59 59 GLU HA H 1 4.842 0.020 . 1 . . . A 59 GLU HA . 18355 1 607 . 1 1 59 59 GLU HB2 H 1 1.732 0.020 . 1 . . . A 59 GLU HB2 . 18355 1 608 . 1 1 59 59 GLU HB3 H 1 1.732 0.020 . 1 . . . A 59 GLU HB3 . 18355 1 609 . 1 1 59 59 GLU HG2 H 1 1.795 0.020 . 1 . . . A 59 GLU HG2 . 18355 1 610 . 1 1 59 59 GLU HG3 H 1 1.795 0.020 . 1 . . . A 59 GLU HG3 . 18355 1 611 . 1 1 59 59 GLU C C 13 172.214 0.3 . 1 . . . A 59 GLU C . 18355 1 612 . 1 1 59 59 GLU CA C 13 54.804 0.3 . 1 . . . A 59 GLU CA . 18355 1 613 . 1 1 59 59 GLU CB C 13 30.176 0.3 . 1 . . . A 59 GLU CB . 18355 1 614 . 1 1 59 59 GLU CG C 13 34.305 0.3 . 1 . . . A 59 GLU CG . 18355 1 615 . 1 1 59 59 GLU N N 15 125.850 0.3 . 1 . . . A 59 GLU N . 18355 1 616 . 1 1 60 60 VAL H H 1 9.122 0.020 . 1 . . . A 60 VAL H . 18355 1 617 . 1 1 60 60 VAL HA H 1 4.291 0.020 . 1 . . . A 60 VAL HA . 18355 1 618 . 1 1 60 60 VAL HB H 1 1.943 0.020 . 1 . . . A 60 VAL HB . 18355 1 619 . 1 1 60 60 VAL HG11 H 1 0.917 0.020 . 1 . . . A 60 VAL HG11 . 18355 1 620 . 1 1 60 60 VAL HG12 H 1 0.917 0.020 . 1 . . . A 60 VAL HG12 . 18355 1 621 . 1 1 60 60 VAL HG13 H 1 0.917 0.020 . 1 . . . A 60 VAL HG13 . 18355 1 622 . 1 1 60 60 VAL HG21 H 1 0.917 0.020 . 1 . . . A 60 VAL HG21 . 18355 1 623 . 1 1 60 60 VAL HG22 H 1 0.917 0.020 . 1 . . . A 60 VAL HG22 . 18355 1 624 . 1 1 60 60 VAL HG23 H 1 0.917 0.020 . 1 . . . A 60 VAL HG23 . 18355 1 625 . 1 1 60 60 VAL C C 13 172.830 0.3 . 1 . . . A 60 VAL C . 18355 1 626 . 1 1 60 60 VAL CA C 13 61.313 0.3 . 1 . . . A 60 VAL CA . 18355 1 627 . 1 1 60 60 VAL CB C 13 33.835 0.3 . 1 . . . A 60 VAL CB . 18355 1 628 . 1 1 60 60 VAL CG1 C 13 22.051 0.3 . 1 . . . A 60 VAL CG1 . 18355 1 629 . 1 1 60 60 VAL CG2 C 13 22.051 0.3 . 1 . . . A 60 VAL CG2 . 18355 1 630 . 1 1 60 60 VAL N N 15 127.522 0.3 . 1 . . . A 60 VAL N . 18355 1 631 . 1 1 61 61 HIS H H 1 8.702 0.020 . 1 . . . A 61 HIS H . 18355 1 632 . 1 1 61 61 HIS HA H 1 5.717 0.020 . 1 . . . A 61 HIS HA . 18355 1 633 . 1 1 61 61 HIS HB2 H 1 2.948 0.020 . 2 . . . A 61 HIS HB2 . 18355 1 634 . 1 1 61 61 HIS HB3 H 1 3.220 0.020 . 2 . . . A 61 HIS HB3 . 18355 1 635 . 1 1 61 61 HIS HD2 H 1 7.040 0.020 . 1 . . . A 61 HIS HD2 . 18355 1 636 . 1 1 61 61 HIS HE1 H 1 7.039 0.020 . 1 . . . A 61 HIS HE1 . 18355 1 637 . 1 1 61 61 HIS C C 13 171.669 0.3 . 1 . . . A 61 HIS C . 18355 1 638 . 1 1 61 61 HIS CA C 13 55.041 0.3 . 1 . . . A 61 HIS CA . 18355 1 639 . 1 1 61 61 HIS CB C 13 30.537 0.3 . 1 . . . A 61 HIS CB . 18355 1 640 . 1 1 61 61 HIS CD2 C 13 123.906 0.3 . 1 . . . A 61 HIS CD2 . 18355 1 641 . 1 1 61 61 HIS CE1 C 13 123.906 0.3 . 1 . . . A 61 HIS CE1 . 18355 1 642 . 1 1 61 61 HIS N N 15 124.530 0.3 . 1 . . . A 61 HIS N . 18355 1 643 . 1 1 62 62 LEU H H 1 9.374 0.020 . 1 . . . A 62 LEU H . 18355 1 644 . 1 1 62 62 LEU HA H 1 5.711 0.020 . 1 . . . A 62 LEU HA . 18355 1 645 . 1 1 62 62 LEU HB2 H 1 1.592 0.020 . 2 . . . A 62 LEU HB2 . 18355 1 646 . 1 1 62 62 LEU HB3 H 1 1.926 0.020 . 2 . . . A 62 LEU HB3 . 18355 1 647 . 1 1 62 62 LEU HG H 1 0.992 0.020 . 1 . . . A 62 LEU HG . 18355 1 648 . 1 1 62 62 LEU HD11 H 1 0.715 0.020 . 1 . . . A 62 LEU HD11 . 18355 1 649 . 1 1 62 62 LEU HD12 H 1 0.715 0.020 . 1 . . . A 62 LEU HD12 . 18355 1 650 . 1 1 62 62 LEU HD13 H 1 0.715 0.020 . 1 . . . A 62 LEU HD13 . 18355 1 651 . 1 1 62 62 LEU HD21 H 1 0.715 0.020 . 1 . . . A 62 LEU HD21 . 18355 1 652 . 1 1 62 62 LEU HD22 H 1 0.715 0.020 . 1 . . . A 62 LEU HD22 . 18355 1 653 . 1 1 62 62 LEU HD23 H 1 0.715 0.020 . 1 . . . A 62 LEU HD23 . 18355 1 654 . 1 1 62 62 LEU C C 13 174.583 0.3 . 1 . . . A 62 LEU C . 18355 1 655 . 1 1 62 62 LEU CA C 13 52.629 0.3 . 1 . . . A 62 LEU CA . 18355 1 656 . 1 1 62 62 LEU CB C 13 46.654 0.3 . 1 . . . A 62 LEU CB . 18355 1 657 . 1 1 62 62 LEU CG C 13 28.311 0.3 . 1 . . . A 62 LEU CG . 18355 1 658 . 1 1 62 62 LEU CD1 C 13 26.580 0.3 . 1 . . . A 62 LEU CD1 . 18355 1 659 . 1 1 62 62 LEU CD2 C 13 26.580 0.3 . 1 . . . A 62 LEU CD2 . 18355 1 660 . 1 1 62 62 LEU N N 15 122.147 0.3 . 1 . . . A 62 LEU N . 18355 1 661 . 1 1 63 63 ASP H H 1 8.750 0.020 . 1 . . . A 63 ASP H . 18355 1 662 . 1 1 63 63 ASP HA H 1 4.904 0.020 . 1 . . . A 63 ASP HA . 18355 1 663 . 1 1 63 63 ASP HB2 H 1 3.408 0.020 . 2 . . . A 63 ASP HB2 . 18355 1 664 . 1 1 63 63 ASP HB3 H 1 2.654 0.020 . 2 . . . A 63 ASP HB3 . 18355 1 665 . 1 1 63 63 ASP C C 13 174.583 0.3 . 1 . . . A 63 ASP C . 18355 1 666 . 1 1 63 63 ASP CA C 13 52.596 0.3 . 1 . . . A 63 ASP CA . 18355 1 667 . 1 1 63 63 ASP CB C 13 41.940 0.3 . 1 . . . A 63 ASP CB . 18355 1 668 . 1 1 63 63 ASP N N 15 121.561 0.3 . 1 . . . A 63 ASP N . 18355 1 669 . 1 1 64 64 ARG H H 1 8.282 0.020 . 1 . . . A 64 ARG H . 18355 1 670 . 1 1 64 64 ARG HA H 1 3.704 0.020 . 1 . . . A 64 ARG HA . 18355 1 671 . 1 1 64 64 ARG HB2 H 1 1.701 0.020 . 2 . . . A 64 ARG HB2 . 18355 1 672 . 1 1 64 64 ARG HB3 H 1 1.791 0.020 . 2 . . . A 64 ARG HB3 . 18355 1 673 . 1 1 64 64 ARG HG2 H 1 1.535 0.020 . 2 . . . A 64 ARG HG2 . 18355 1 674 . 1 1 64 64 ARG HG3 H 1 1.534 0.020 . 2 . . . A 64 ARG HG3 . 18355 1 675 . 1 1 64 64 ARG HD2 H 1 3.115 0.020 . 2 . . . A 64 ARG HD2 . 18355 1 676 . 1 1 64 64 ARG HD3 H 1 3.115 0.020 . 2 . . . A 64 ARG HD3 . 18355 1 677 . 1 1 64 64 ARG C C 13 173.399 0.3 . 1 . . . A 64 ARG C . 18355 1 678 . 1 1 64 64 ARG CA C 13 58.043 0.3 . 1 . . . A 64 ARG CA . 18355 1 679 . 1 1 64 64 ARG CB C 13 29.684 0.3 . 1 . . . A 64 ARG CB . 18355 1 680 . 1 1 64 64 ARG CG C 13 26.780 0.3 . 1 . . . A 64 ARG CG . 18355 1 681 . 1 1 64 64 ARG CD C 13 43.362 0.3 . 1 . . . A 64 ARG CD . 18355 1 682 . 1 1 64 64 ARG N N 15 114.335 0.3 . 1 . . . A 64 ARG N . 18355 1 683 . 1 1 65 65 ASP H H 1 7.968 0.020 . 1 . . . A 65 ASP H . 18355 1 684 . 1 1 65 65 ASP HA H 1 4.768 0.020 . 1 . . . A 65 ASP HA . 18355 1 685 . 1 1 65 65 ASP HB2 H 1 2.531 0.020 . 2 . . . A 65 ASP HB2 . 18355 1 686 . 1 1 65 65 ASP HB3 H 1 2.925 0.020 . 2 . . . A 65 ASP HB3 . 18355 1 687 . 1 1 65 65 ASP C C 13 172.451 0.3 . 1 . . . A 65 ASP C . 18355 1 688 . 1 1 65 65 ASP CA C 13 54.750 0.3 . 1 . . . A 65 ASP CA . 18355 1 689 . 1 1 65 65 ASP CB C 13 41.196 0.3 . 1 . . . A 65 ASP CB . 18355 1 690 . 1 1 65 65 ASP N N 15 119.080 0.3 . 1 . . . A 65 ASP N . 18355 1 691 . 1 1 66 66 PHE H H 1 7.959 0.020 . 1 . . . A 66 PHE H . 18355 1 692 . 1 1 66 66 PHE HA H 1 3.654 0.020 . 1 . . . A 66 PHE HA . 18355 1 693 . 1 1 66 66 PHE HB2 H 1 2.948 0.020 . 2 . . . A 66 PHE HB2 . 18355 1 694 . 1 1 66 66 PHE HB3 H 1 3.325 0.020 . 2 . . . A 66 PHE HB3 . 18355 1 695 . 1 1 66 66 PHE HD1 H 1 6.667 0.020 . 1 . . . A 66 PHE HD1 . 18355 1 696 . 1 1 66 66 PHE HD2 H 1 6.667 0.020 . 1 . . . A 66 PHE HD2 . 18355 1 697 . 1 1 66 66 PHE HE1 H 1 6.660 0.020 . 3 . . . A 66 PHE HE1 . 18355 1 698 . 1 1 66 66 PHE HE2 H 1 6.935 0.020 . 3 . . . A 66 PHE HE2 . 18355 1 699 . 1 1 66 66 PHE HZ H 1 6.333 0.020 . 1 . . . A 66 PHE HZ . 18355 1 700 . 1 1 66 66 PHE C C 13 171.077 0.3 . 1 . . . A 66 PHE C . 18355 1 701 . 1 1 66 66 PHE CA C 13 60.490 0.3 . 1 . . . A 66 PHE CA . 18355 1 702 . 1 1 66 66 PHE CB C 13 34.613 0.3 . 1 . . . A 66 PHE CB . 18355 1 703 . 1 1 66 66 PHE CD1 C 13 118.128 0.3 . 1 . . . A 66 PHE CD1 . 18355 1 704 . 1 1 66 66 PHE CD2 C 13 118.128 0.3 . 1 . . . A 66 PHE CD2 . 18355 1 705 . 1 1 66 66 PHE CE1 C 13 135.339 0.3 . 1 . . . A 66 PHE CE1 . 18355 1 706 . 1 1 66 66 PHE CE2 C 13 137.131 0.3 . 1 . . . A 66 PHE CE2 . 18355 1 707 . 1 1 66 66 PHE CZ C 13 118.085 0.3 . 1 . . . A 66 PHE CZ . 18355 1 708 . 1 1 66 66 PHE N N 15 112.809 0.3 . 1 . . . A 66 PHE N . 18355 1 709 . 1 1 67 67 ARG H H 1 8.377 0.020 . 1 . . . A 67 ARG H . 18355 1 710 . 1 1 67 67 ARG HA H 1 4.433 0.020 . 1 . . . A 67 ARG HA . 18355 1 711 . 1 1 67 67 ARG HB2 H 1 1.736 0.020 . 2 . . . A 67 ARG HB2 . 18355 1 712 . 1 1 67 67 ARG HB3 H 1 1.880 0.020 . 2 . . . A 67 ARG HB3 . 18355 1 713 . 1 1 67 67 ARG HG2 H 1 1.531 0.020 . 1 . . . A 67 ARG HG2 . 18355 1 714 . 1 1 67 67 ARG HG3 H 1 1.531 0.020 . 1 . . . A 67 ARG HG3 . 18355 1 715 . 1 1 67 67 ARG HD2 H 1 3.230 0.020 . 1 . . . A 67 ARG HD2 . 18355 1 716 . 1 1 67 67 ARG HD3 H 1 3.230 0.020 . 1 . . . A 67 ARG HD3 . 18355 1 717 . 1 1 67 67 ARG C C 13 174.583 0.3 . 1 . . . A 67 ARG C . 18355 1 718 . 1 1 67 67 ARG CA C 13 55.337 0.3 . 1 . . . A 67 ARG CA . 18355 1 719 . 1 1 67 67 ARG CB C 13 30.446 0.3 . 1 . . . A 67 ARG CB . 18355 1 720 . 1 1 67 67 ARG CG C 13 27.712 0.3 . 1 . . . A 67 ARG CG . 18355 1 721 . 1 1 67 67 ARG CD C 13 43.496 0.3 . 1 . . . A 67 ARG CD . 18355 1 722 . 1 1 67 67 ARG N N 15 119.143 0.3 . 1 . . . A 67 ARG N . 18355 1 723 . 1 1 68 68 VAL H H 1 8.567 0.020 . 1 . . . A 68 VAL H . 18355 1 724 . 1 1 68 68 VAL HA H 1 3.896 0.020 . 1 . . . A 68 VAL HA . 18355 1 725 . 1 1 68 68 VAL HB H 1 1.968 0.020 . 1 . . . A 68 VAL HB . 18355 1 726 . 1 1 68 68 VAL HG11 H 1 0.853 0.020 . 1 . . . A 68 VAL HG11 . 18355 1 727 . 1 1 68 68 VAL HG12 H 1 0.853 0.020 . 1 . . . A 68 VAL HG12 . 18355 1 728 . 1 1 68 68 VAL HG13 H 1 0.853 0.020 . 1 . . . A 68 VAL HG13 . 18355 1 729 . 1 1 68 68 VAL HG21 H 1 0.868 0.020 . 1 . . . A 68 VAL HG21 . 18355 1 730 . 1 1 68 68 VAL HG22 H 1 0.868 0.020 . 1 . . . A 68 VAL HG22 . 18355 1 731 . 1 1 68 68 VAL HG23 H 1 0.868 0.020 . 1 . . . A 68 VAL HG23 . 18355 1 732 . 1 1 68 68 VAL C C 13 174.204 0.3 . 1 . . . A 68 VAL C . 18355 1 733 . 1 1 68 68 VAL CA C 13 63.963 0.3 . 1 . . . A 68 VAL CA . 18355 1 734 . 1 1 68 68 VAL CB C 13 31.977 0.3 . 1 . . . A 68 VAL CB . 18355 1 735 . 1 1 68 68 VAL CG1 C 13 22.518 0.3 . 1 . . . A 68 VAL CG1 . 18355 1 736 . 1 1 68 68 VAL CG2 C 13 21.252 0.3 . 1 . . . A 68 VAL CG2 . 18355 1 737 . 1 1 68 68 VAL N N 15 123.146 0.3 . 1 . . . A 68 VAL N . 18355 1 738 . 1 1 69 69 LEU H H 1 9.209 0.020 . 1 . . . A 69 LEU H . 18355 1 739 . 1 1 69 69 LEU HA H 1 4.423 0.020 . 1 . . . A 69 LEU HA . 18355 1 740 . 1 1 69 69 LEU HB2 H 1 1.546 0.020 . 2 . . . A 69 LEU HB2 . 18355 1 741 . 1 1 69 69 LEU HB3 H 1 1.546 0.020 . 2 . . . A 69 LEU HB3 . 18355 1 742 . 1 1 69 69 LEU HG H 1 0.727 0.020 . 1 . . . A 69 LEU HG . 18355 1 743 . 1 1 69 69 LEU HD11 H 1 0.820 0.020 . 1 . . . A 69 LEU HD11 . 18355 1 744 . 1 1 69 69 LEU HD12 H 1 0.820 0.020 . 1 . . . A 69 LEU HD12 . 18355 1 745 . 1 1 69 69 LEU HD13 H 1 0.820 0.020 . 1 . . . A 69 LEU HD13 . 18355 1 746 . 1 1 69 69 LEU HD21 H 1 0.837 0.020 . 1 . . . A 69 LEU HD21 . 18355 1 747 . 1 1 69 69 LEU HD22 H 1 0.837 0.020 . 1 . . . A 69 LEU HD22 . 18355 1 748 . 1 1 69 69 LEU HD23 H 1 0.837 0.020 . 1 . . . A 69 LEU HD23 . 18355 1 749 . 1 1 69 69 LEU C C 13 174.204 0.3 . 1 . . . A 69 LEU C . 18355 1 750 . 1 1 69 69 LEU CA C 13 55.394 0.3 . 1 . . . A 69 LEU CA . 18355 1 751 . 1 1 69 69 LEU CB C 13 43.348 0.3 . 1 . . . A 69 LEU CB . 18355 1 752 . 1 1 69 69 LEU CG C 13 25.847 0.3 . 1 . . . A 69 LEU CG . 18355 1 753 . 1 1 69 69 LEU CD1 C 13 22.518 0.3 . 1 . . . A 69 LEU CD1 . 18355 1 754 . 1 1 69 69 LEU CD2 C 13 22.518 0.3 . 1 . . . A 69 LEU CD2 . 18355 1 755 . 1 1 69 69 LEU N N 15 129.489 0.3 . 1 . . . A 69 LEU N . 18355 1 756 . 1 1 70 70 ASP H H 1 7.819 0.020 . 1 . . . A 70 ASP H . 18355 1 757 . 1 1 70 70 ASP HA H 1 4.741 0.020 . 1 . . . A 70 ASP HA . 18355 1 758 . 1 1 70 70 ASP HB2 H 1 2.763 0.020 . 2 . . . A 70 ASP HB2 . 18355 1 759 . 1 1 70 70 ASP HB3 H 1 2.833 0.020 . 2 . . . A 70 ASP HB3 . 18355 1 760 . 1 1 70 70 ASP C C 13 171.883 0.3 . 1 . . . A 70 ASP C . 18355 1 761 . 1 1 70 70 ASP CA C 13 53.802 0.3 . 1 . . . A 70 ASP CA . 18355 1 762 . 1 1 70 70 ASP CB C 13 42.525 0.3 . 1 . . . A 70 ASP CB . 18355 1 763 . 1 1 70 70 ASP N N 15 115.427 0.3 . 1 . . . A 70 ASP N . 18355 1 764 . 1 1 71 71 THR H H 1 8.211 0.020 . 1 . . . A 71 THR H . 18355 1 765 . 1 1 71 71 THR HA H 1 4.976 0.020 . 1 . . . A 71 THR HA . 18355 1 766 . 1 1 71 71 THR HB H 1 3.966 0.020 . 1 . . . A 71 THR HB . 18355 1 767 . 1 1 71 71 THR HG21 H 1 1.095 0.020 . 1 . . . A 71 THR HG21 . 18355 1 768 . 1 1 71 71 THR HG22 H 1 1.095 0.020 . 1 . . . A 71 THR HG22 . 18355 1 769 . 1 1 71 71 THR HG23 H 1 1.095 0.020 . 1 . . . A 71 THR HG23 . 18355 1 770 . 1 1 71 71 THR C C 13 171.077 0.3 . 1 . . . A 71 THR C . 18355 1 771 . 1 1 71 71 THR CA C 13 60.439 0.3 . 1 . . . A 71 THR CA . 18355 1 772 . 1 1 71 71 THR CB C 13 70.741 0.3 . 1 . . . A 71 THR CB . 18355 1 773 . 1 1 71 71 THR CG2 C 13 22.112 0.3 . 1 . . . A 71 THR CG2 . 18355 1 774 . 1 1 71 71 THR N N 15 111.341 0.3 . 1 . . . A 71 THR N . 18355 1 775 . 1 1 72 72 GLU H H 1 8.742 0.020 . 1 . . . A 72 GLU H . 18355 1 776 . 1 1 72 72 GLU HA H 1 4.970 0.020 . 1 . . . A 72 GLU HA . 18355 1 777 . 1 1 72 72 GLU HB2 H 1 1.973 0.020 . 2 . . . A 72 GLU HB2 . 18355 1 778 . 1 1 72 72 GLU HB3 H 1 1.971 0.020 . 2 . . . A 72 GLU HB3 . 18355 1 779 . 1 1 72 72 GLU HG2 H 1 2.306 0.020 . 1 . . . A 72 GLU HG2 . 18355 1 780 . 1 1 72 72 GLU HG3 H 1 2.306 0.020 . 1 . . . A 72 GLU HG3 . 18355 1 781 . 1 1 72 72 GLU C C 13 170.674 0.3 . 1 . . . A 72 GLU C . 18355 1 782 . 1 1 72 72 GLU CA C 13 53.416 0.3 . 1 . . . A 72 GLU CA . 18355 1 783 . 1 1 72 72 GLU CB C 13 31.666 0.3 . 1 . . . A 72 GLU CB . 18355 1 784 . 1 1 72 72 GLU CG C 13 35.463 0.3 . 1 . . . A 72 GLU CG . 18355 1 785 . 1 1 72 72 GLU N N 15 122.766 0.3 . 1 . . . A 72 GLU N . 18355 1 786 . 1 1 73 73 PRO HA H 1 4.511 0.020 . 1 . . . A 73 PRO HA . 18355 1 787 . 1 1 73 73 PRO HB2 H 1 2.426 0.020 . 1 . . . A 73 PRO HB2 . 18355 1 788 . 1 1 73 73 PRO HB3 H 1 2.426 0.020 . 1 . . . A 73 PRO HB3 . 18355 1 789 . 1 1 73 73 PRO HG2 H 1 1.995 0.020 . 2 . . . A 73 PRO HG2 . 18355 1 790 . 1 1 73 73 PRO HG3 H 1 2.153 0.020 . 2 . . . A 73 PRO HG3 . 18355 1 791 . 1 1 73 73 PRO HD2 H 1 3.774 0.020 . 2 . . . A 73 PRO HD2 . 18355 1 792 . 1 1 73 73 PRO HD3 H 1 3.870 0.020 . 2 . . . A 73 PRO HD3 . 18355 1 793 . 1 1 73 73 PRO C C 13 174.228 0.3 . 1 . . . A 73 PRO C . 18355 1 794 . 1 1 73 73 PRO CA C 13 63.523 0.3 . 1 . . . A 73 PRO CA . 18355 1 795 . 1 1 73 73 PRO CB C 13 32.110 0.3 . 1 . . . A 73 PRO CB . 18355 1 796 . 1 1 73 73 PRO CG C 13 27.705 0.3 . 1 . . . A 73 PRO CG . 18355 1 797 . 1 1 73 73 PRO CD C 13 50.703 0.3 . 1 . . . A 73 PRO CD . 18355 1 798 . 1 1 74 74 ALA H H 1 8.222 0.020 . 1 . . . A 74 ALA H . 18355 1 799 . 1 1 74 74 ALA HA H 1 4.516 0.020 . 1 . . . A 74 ALA HA . 18355 1 800 . 1 1 74 74 ALA HB1 H 1 1.230 0.020 . 1 . . . A 74 ALA HB1 . 18355 1 801 . 1 1 74 74 ALA HB2 H 1 1.230 0.020 . 1 . . . A 74 ALA HB2 . 18355 1 802 . 1 1 74 74 ALA HB3 H 1 1.230 0.020 . 1 . . . A 74 ALA HB3 . 18355 1 803 . 1 1 74 74 ALA C C 13 174.394 0.3 . 1 . . . A 74 ALA C . 18355 1 804 . 1 1 74 74 ALA CA C 13 51.563 0.3 . 1 . . . A 74 ALA CA . 18355 1 805 . 1 1 74 74 ALA CB C 13 19.854 0.3 . 1 . . . A 74 ALA CB . 18355 1 806 . 1 1 74 74 ALA N N 15 125.873 0.3 . 1 . . . A 74 ALA N . 18355 1 807 . 1 1 75 75 ASP H H 1 8.279 0.020 . 1 . . . A 75 ASP H . 18355 1 808 . 1 1 75 75 ASP HA H 1 4.653 0.020 . 1 . . . A 75 ASP HA . 18355 1 809 . 1 1 75 75 ASP HB2 H 1 2.665 0.020 . 2 . . . A 75 ASP HB2 . 18355 1 810 . 1 1 75 75 ASP HB3 H 1 2.705 0.020 . 2 . . . A 75 ASP HB3 . 18355 1 811 . 1 1 75 75 ASP C C 13 174.204 0.3 . 1 . . . A 75 ASP C . 18355 1 812 . 1 1 75 75 ASP CA C 13 54.499 0.3 . 1 . . . A 75 ASP CA . 18355 1 813 . 1 1 75 75 ASP CB C 13 41.711 0.3 . 1 . . . A 75 ASP CB . 18355 1 814 . 1 1 75 75 ASP N N 15 119.332 0.3 . 1 . . . A 75 ASP N . 18355 1 815 . 1 1 76 76 GLY H H 1 8.347 0.020 . 1 . . . A 76 GLY H . 18355 1 816 . 1 1 76 76 GLY HA2 H 1 3.978 0.020 . 1 . . . A 76 GLY HA2 . 18355 1 817 . 1 1 76 76 GLY HA3 H 1 3.978 0.020 . 1 . . . A 76 GLY HA3 . 18355 1 818 . 1 1 76 76 GLY C C 13 171.456 0.3 . 1 . . . A 76 GLY C . 18355 1 819 . 1 1 76 76 GLY CA C 13 45.365 0.3 . 1 . . . A 76 GLY CA . 18355 1 820 . 1 1 76 76 GLY N N 15 109.082 0.3 . 1 . . . A 76 GLY N . 18355 1 821 . 1 1 77 77 ASP H H 1 8.316 0.020 . 1 . . . A 77 ASP H . 18355 1 822 . 1 1 77 77 ASP HA H 1 4.653 0.020 . 1 . . . A 77 ASP HA . 18355 1 823 . 1 1 77 77 ASP HB2 H 1 2.645 0.020 . 2 . . . A 77 ASP HB2 . 18355 1 824 . 1 1 77 77 ASP HB3 H 1 2.706 0.020 . 2 . . . A 77 ASP HB3 . 18355 1 825 . 1 1 77 77 ASP C C 13 174.560 0.3 . 1 . . . A 77 ASP C . 18355 1 826 . 1 1 77 77 ASP CA C 13 54.399 0.3 . 1 . . . A 77 ASP CA . 18355 1 827 . 1 1 77 77 ASP CB C 13 41.596 0.3 . 1 . . . A 77 ASP CB . 18355 1 828 . 1 1 77 77 ASP N N 15 120.352 0.3 . 1 . . . A 77 ASP N . 18355 1 829 . 1 1 78 78 GLY H H 1 8.473 0.020 . 1 . . . A 78 GLY H . 18355 1 830 . 1 1 78 78 GLY HA2 H 1 3.959 0.020 . 1 . . . A 78 GLY HA2 . 18355 1 831 . 1 1 78 78 GLY HA3 H 1 3.959 0.020 . 1 . . . A 78 GLY HA3 . 18355 1 832 . 1 1 78 78 GLY C C 13 172.427 0.3 . 1 . . . A 78 GLY C . 18355 1 833 . 1 1 78 78 GLY CA C 13 45.664 0.3 . 1 . . . A 78 GLY CA . 18355 1 834 . 1 1 78 78 GLY N N 15 109.638 0.3 . 1 . . . A 78 GLY N . 18355 1 835 . 1 1 79 79 GLY H H 1 8.380 0.020 . 1 . . . A 79 GLY H . 18355 1 836 . 1 1 79 79 GLY HA2 H 1 3.958 0.020 . 2 . . . A 79 GLY HA2 . 18355 1 837 . 1 1 79 79 GLY HA3 H 1 3.957 0.020 . 2 . . . A 79 GLY HA3 . 18355 1 838 . 1 1 79 79 GLY C C 13 171.646 0.3 . 1 . . . A 79 GLY C . 18355 1 839 . 1 1 79 79 GLY CA C 13 45.046 0.3 . 1 . . . A 79 GLY CA . 18355 1 840 . 1 1 79 79 GLY N N 15 108.935 0.3 . 1 . . . A 79 GLY N . 18355 1 841 . 1 1 80 80 LEU H H 1 8.127 0.020 . 1 . . . A 80 LEU H . 18355 1 842 . 1 1 80 80 LEU HA H 1 4.381 0.020 . 1 . . . A 80 LEU HA . 18355 1 843 . 1 1 80 80 LEU HB2 H 1 1.623 0.020 . 2 . . . A 80 LEU HB2 . 18355 1 844 . 1 1 80 80 LEU HB3 H 1 1.628 0.020 . 2 . . . A 80 LEU HB3 . 18355 1 845 . 1 1 80 80 LEU HG H 1 1.623 0.020 . 1 . . . A 80 LEU HG . 18355 1 846 . 1 1 80 80 LEU HD11 H 1 0.923 0.020 . 1 . . . A 80 LEU HD11 . 18355 1 847 . 1 1 80 80 LEU HD12 H 1 0.923 0.020 . 1 . . . A 80 LEU HD12 . 18355 1 848 . 1 1 80 80 LEU HD13 H 1 0.923 0.020 . 1 . . . A 80 LEU HD13 . 18355 1 849 . 1 1 80 80 LEU HD21 H 1 0.861 0.020 . 1 . . . A 80 LEU HD21 . 18355 1 850 . 1 1 80 80 LEU HD22 H 1 0.861 0.020 . 1 . . . A 80 LEU HD22 . 18355 1 851 . 1 1 80 80 LEU HD23 H 1 0.861 0.020 . 1 . . . A 80 LEU HD23 . 18355 1 852 . 1 1 80 80 LEU C C 13 174.204 0.3 . 1 . . . A 80 LEU C . 18355 1 853 . 1 1 80 80 LEU CA C 13 55.185 0.3 . 1 . . . A 80 LEU CA . 18355 1 854 . 1 1 80 80 LEU CB C 13 42.549 0.3 . 1 . . . A 80 LEU CB . 18355 1 855 . 1 1 80 80 LEU CG C 13 27.175 0.3 . 1 . . . A 80 LEU CG . 18355 1 856 . 1 1 80 80 LEU CD1 C 13 24.889 0.3 . 1 . . . A 80 LEU CD1 . 18355 1 857 . 1 1 80 80 LEU CD2 C 13 23.290 0.3 . 1 . . . A 80 LEU CD2 . 18355 1 858 . 1 1 80 80 LEU N N 15 121.761 0.3 . 1 . . . A 80 LEU N . 18355 1 859 . 1 1 81 81 GLU H H 1 7.926 0.020 . 1 . . . A 81 GLU H . 18355 1 860 . 1 1 81 81 GLU HA H 1 4.098 0.020 . 1 . . . A 81 GLU HA . 18355 1 861 . 1 1 81 81 GLU HB2 H 1 1.881 0.020 . 2 . . . A 81 GLU HB2 . 18355 1 862 . 1 1 81 81 GLU HB3 H 1 2.026 0.020 . 2 . . . A 81 GLU HB3 . 18355 1 863 . 1 1 81 81 GLU CA C 13 58.077 0.3 . 1 . . . A 81 GLU CA . 18355 1 864 . 1 1 81 81 GLU CB C 13 31.283 0.3 . 1 . . . A 81 GLU CB . 18355 1 865 . 1 1 81 81 GLU N N 15 126.247 0.3 . 1 . . . A 81 GLU N . 18355 1 stop_ save_