data_19755 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19755 _Entry.Title ; Structure determination of substrate binding domain of MecA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-01-29 _Entry.Accession_date 2014-01-29 _Entry.Last_release_date 2015-02-09 _Entry.Original_release_date 2015-02-09 _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 Yong-hui Zhang . . . 19755 2 Yi Zhang . . . 19755 3 Changwen Jin . . . 19755 4 Yigong Shi . . . 19755 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' . 19755 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID competence . 19755 MecA . 19755 proteolysis . 19755 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19755 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 409 19755 '15N chemical shifts' 90 19755 '1H chemical shifts' 618 19755 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 . . 2015-02-09 2014-01-29 original author . 19755 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MK6 'BMRB Entry Tracking System' 19755 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19755 _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 and interaction analysis of the substrate binding domain of MecA' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. 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 Yong-hui Zhang . . . 19755 1 2 Yi Zhang . . . 19755 1 3 Changwen Jin . . . 19755 1 4 Yigong Shi . . . 19755 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19755 _Assembly.ID 1 _Assembly.Name MecA _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 MecA 1 $MecA-NTD A . yes native no no . . . 19755 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MecA-NTD _Entity.Sf_category entity _Entity.Sf_framecode MecA-NTD _Entity.Entry_ID 19755 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MecA-NTD _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 ; MEIERINEHTVKFYMSYGDI EDRGFDREEIWYNRERSEEL FWEVMDEVHEEEEFAVEGPL WIQVQALDKGLEIIVTKAQL SKDLDKLVPR ; _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 90 _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 10904.278 _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 2MK6 . "Structure Determination Of Substrate Binding Domain Of Meca" . . . . . 100.00 90 100.00 100.00 1.73e-56 . . . . 19755 1 2 no PDB 3J3R . "Structural Dynamics Of The Meca-clpc Complex Revealed By Cryo-em" . . . . . 96.67 218 97.70 97.70 1.70e-51 . . . . 19755 1 3 no PDB 3J3S . "Structural Dynamics Of The Meca-clpc Complex Revealed By Cryo-em" . . . . . 96.67 218 97.70 97.70 1.70e-51 . . . . 19755 1 4 no PDB 3J3T . "Structural Dynamics Of The Meca-clpc Complex Revealed By Cryo-em" . . . . . 96.67 218 97.70 97.70 1.70e-51 . . . . 19755 1 5 no PDB 3J3U . "Structural Dynamics Of The Meca-clpc Complex Revealed By Cryo-em" . . . . . 96.67 218 97.70 97.70 1.70e-51 . . . . 19755 1 6 no DBJ BAI84705 . "adaptor protein [Bacillus subtilis subsp. natto BEST195]" . . . . . 96.67 218 97.70 97.70 1.81e-51 . . . . 19755 1 7 no DBJ BAM50072 . "adaptor protein [Bacillus subtilis BEST7613]" . . . . . 96.67 218 97.70 97.70 1.70e-51 . . . . 19755 1 8 no DBJ BAM57340 . "adaptor protein [Bacillus subtilis BEST7003]" . . . . . 96.67 218 97.70 97.70 1.70e-51 . . . . 19755 1 9 no DBJ GAK78855 . "adaptor protein [Bacillus subtilis Miyagi-4]" . . . . . 96.67 218 97.70 97.70 1.81e-51 . . . . 19755 1 10 no EMBL CAB13009 . "adaptor protein controlling oligomerization of the AAA+ protein ClpC [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 96.67 218 97.70 97.70 1.70e-51 . . . . 19755 1 11 no EMBL CCU57623 . "Negative regulator of genetic competence MecA [Bacillus subtilis E1]" . . . . . 96.67 218 97.70 97.70 1.91e-51 . . . . 19755 1 12 no EMBL CDH96423 . "Adapter protein mecA 1 [Bacillus methylotrophicus NAU-B3]" . . . . . 96.67 249 97.70 97.70 9.46e-51 . . . . 19755 1 13 no EMBL CEI56289 . "adapter protein MecA 1 [Bacillus subtilis]" . . . . . 96.67 218 97.70 97.70 1.70e-51 . . . . 19755 1 14 no EMBL CEJ76712 . "adapter protein MecA 1 [Bacillus sp.]" . . . . . 96.67 218 97.70 97.70 1.70e-51 . . . . 19755 1 15 no GB AAC36956 . "putative [Bacillus subtilis]" . . . . . 96.67 218 97.70 97.70 1.70e-51 . . . . 19755 1 16 no GB ADM37217 . "adaptor protein controlling oligomerization of the AAA+ protein ClpC [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 96.67 218 97.70 97.70 2.04e-51 . . . . 19755 1 17 no GB ADP31634 . "adaptor protein [Bacillus atrophaeus 1942]" . . . . . 96.67 218 97.70 97.70 1.37e-51 . . . . 19755 1 18 no GB ADV96142 . "adaptor protein [Bacillus subtilis BSn5]" . . . . . 96.67 218 97.70 97.70 1.70e-51 . . . . 19755 1 19 no GB AEP86108 . "adapter protein MecA 1 [Bacillus subtilis subsp. spizizenii TU-B-10]" . . . . . 96.67 218 97.70 97.70 2.06e-51 . . . . 19755 1 20 no REF NP_389034 . "adapter protein MecA 1 [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 96.67 218 97.70 97.70 1.70e-51 . . . . 19755 1 21 no REF WP_003224603 . "MULTISPECIES: adaptor protein MecA [Bacillus]" . . . . . 96.67 218 97.70 97.70 2.04e-51 . . . . 19755 1 22 no REF WP_003232942 . "MULTISPECIES: adaptor protein MecA [Bacillus]" . . . . . 96.67 218 97.70 97.70 1.91e-51 . . . . 19755 1 23 no REF WP_003239278 . "adaptor protein MecA [Bacillus subtilis]" . . . . . 96.67 218 97.70 97.70 1.81e-51 . . . . 19755 1 24 no REF WP_003245194 . "MULTISPECIES: adaptor protein MecA [Bacillus]" . . . . . 96.67 218 97.70 97.70 1.70e-51 . . . . 19755 1 25 no SP P37958 . "RecName: Full=Adapter protein MecA 1" . . . . . 96.67 218 97.70 97.70 1.70e-51 . . . . 19755 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 1 MET . 19755 1 2 2 GLU . 19755 1 3 3 ILE . 19755 1 4 4 GLU . 19755 1 5 5 ARG . 19755 1 6 6 ILE . 19755 1 7 7 ASN . 19755 1 8 8 GLU . 19755 1 9 9 HIS . 19755 1 10 10 THR . 19755 1 11 11 VAL . 19755 1 12 12 LYS . 19755 1 13 13 PHE . 19755 1 14 14 TYR . 19755 1 15 15 MET . 19755 1 16 16 SER . 19755 1 17 17 TYR . 19755 1 18 18 GLY . 19755 1 19 19 ASP . 19755 1 20 20 ILE . 19755 1 21 21 GLU . 19755 1 22 22 ASP . 19755 1 23 23 ARG . 19755 1 24 24 GLY . 19755 1 25 25 PHE . 19755 1 26 26 ASP . 19755 1 27 27 ARG . 19755 1 28 28 GLU . 19755 1 29 29 GLU . 19755 1 30 30 ILE . 19755 1 31 31 TRP . 19755 1 32 32 TYR . 19755 1 33 33 ASN . 19755 1 34 34 ARG . 19755 1 35 35 GLU . 19755 1 36 36 ARG . 19755 1 37 37 SER . 19755 1 38 38 GLU . 19755 1 39 39 GLU . 19755 1 40 40 LEU . 19755 1 41 41 PHE . 19755 1 42 42 TRP . 19755 1 43 43 GLU . 19755 1 44 44 VAL . 19755 1 45 45 MET . 19755 1 46 46 ASP . 19755 1 47 47 GLU . 19755 1 48 48 VAL . 19755 1 49 49 HIS . 19755 1 50 50 GLU . 19755 1 51 51 GLU . 19755 1 52 52 GLU . 19755 1 53 53 GLU . 19755 1 54 54 PHE . 19755 1 55 55 ALA . 19755 1 56 56 VAL . 19755 1 57 57 GLU . 19755 1 58 58 GLY . 19755 1 59 59 PRO . 19755 1 60 60 LEU . 19755 1 61 61 TRP . 19755 1 62 62 ILE . 19755 1 63 63 GLN . 19755 1 64 64 VAL . 19755 1 65 65 GLN . 19755 1 66 66 ALA . 19755 1 67 67 LEU . 19755 1 68 68 ASP . 19755 1 69 69 LYS . 19755 1 70 70 GLY . 19755 1 71 71 LEU . 19755 1 72 72 GLU . 19755 1 73 73 ILE . 19755 1 74 74 ILE . 19755 1 75 75 VAL . 19755 1 76 76 THR . 19755 1 77 77 LYS . 19755 1 78 78 ALA . 19755 1 79 79 GLN . 19755 1 80 80 LEU . 19755 1 81 81 SER . 19755 1 82 82 LYS . 19755 1 83 83 ASP . 19755 1 84 84 LEU . 19755 1 85 85 ASP . 19755 1 86 86 LYS . 19755 1 87 87 LEU . 19755 1 88 88 VAL . 19755 1 89 89 PRO . 19755 1 90 90 ARG . 19755 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 . MET 1 1 19755 1 . GLU 2 2 19755 1 . ILE 3 3 19755 1 . GLU 4 4 19755 1 . ARG 5 5 19755 1 . ILE 6 6 19755 1 . ASN 7 7 19755 1 . GLU 8 8 19755 1 . HIS 9 9 19755 1 . THR 10 10 19755 1 . VAL 11 11 19755 1 . LYS 12 12 19755 1 . PHE 13 13 19755 1 . TYR 14 14 19755 1 . MET 15 15 19755 1 . SER 16 16 19755 1 . TYR 17 17 19755 1 . GLY 18 18 19755 1 . ASP 19 19 19755 1 . ILE 20 20 19755 1 . GLU 21 21 19755 1 . ASP 22 22 19755 1 . ARG 23 23 19755 1 . GLY 24 24 19755 1 . PHE 25 25 19755 1 . ASP 26 26 19755 1 . ARG 27 27 19755 1 . GLU 28 28 19755 1 . GLU 29 29 19755 1 . ILE 30 30 19755 1 . TRP 31 31 19755 1 . TYR 32 32 19755 1 . ASN 33 33 19755 1 . ARG 34 34 19755 1 . GLU 35 35 19755 1 . ARG 36 36 19755 1 . SER 37 37 19755 1 . GLU 38 38 19755 1 . GLU 39 39 19755 1 . LEU 40 40 19755 1 . PHE 41 41 19755 1 . TRP 42 42 19755 1 . GLU 43 43 19755 1 . VAL 44 44 19755 1 . MET 45 45 19755 1 . ASP 46 46 19755 1 . GLU 47 47 19755 1 . VAL 48 48 19755 1 . HIS 49 49 19755 1 . GLU 50 50 19755 1 . GLU 51 51 19755 1 . GLU 52 52 19755 1 . GLU 53 53 19755 1 . PHE 54 54 19755 1 . ALA 55 55 19755 1 . VAL 56 56 19755 1 . GLU 57 57 19755 1 . GLY 58 58 19755 1 . PRO 59 59 19755 1 . LEU 60 60 19755 1 . TRP 61 61 19755 1 . ILE 62 62 19755 1 . GLN 63 63 19755 1 . VAL 64 64 19755 1 . GLN 65 65 19755 1 . ALA 66 66 19755 1 . LEU 67 67 19755 1 . ASP 68 68 19755 1 . LYS 69 69 19755 1 . GLY 70 70 19755 1 . LEU 71 71 19755 1 . GLU 72 72 19755 1 . ILE 73 73 19755 1 . ILE 74 74 19755 1 . VAL 75 75 19755 1 . THR 76 76 19755 1 . LYS 77 77 19755 1 . ALA 78 78 19755 1 . GLN 79 79 19755 1 . LEU 80 80 19755 1 . SER 81 81 19755 1 . LYS 82 82 19755 1 . ASP 83 83 19755 1 . LEU 84 84 19755 1 . ASP 85 85 19755 1 . LYS 86 86 19755 1 . LEU 87 87 19755 1 . VAL 88 88 19755 1 . PRO 89 89 19755 1 . ARG 90 90 19755 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 19755 _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 $MecA-NTD . 703612 organism . 'Bacillus subtilis' firmicutes . . Bacteria . Bacillus subtilis 'spizizenii ATCC 6633' . . . . . . . . . . . . . . . mecA . . . . 19755 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 19755 _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 $MecA-NTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pYN1 . . . 'MecA-NTD was expressed with a C-terminal GST tag, which was removed by Thrombin digestion' . . 19755 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19755 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 MecA-NTD '[U-13C; U-15N]' . . 1 $MecA-NTD . . 1.0 . . mM . . . . 19755 1 2 'sodium chloride' 'natural abundance' . . . . . . 140 . . mM . . . . 19755 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19755 1 4 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 19755 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19755 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19755 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19755 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.3 0.1 M 19755 1 pH 7.3 0.2 pH 19755 1 pressure 1 . atm 19755 1 temperature 300 5 K 19755 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 19755 _Software.ID 1 _Software.Name CCPN_Analysis _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19755 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19755 1 'data analysis' 19755 1 'peak picking' 19755 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19755 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19755 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19755 2 stop_ save_ save_MARS _Software.Sf_category software _Software.Sf_framecode MARS _Software.Entry_ID 19755 _Software.ID 3 _Software.Name MARS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Markus Zweckstetter' . . 19755 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19755 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19755 _Software.ID 4 _Software.Name CYANA _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19755 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19755 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19755 _Software.ID 5 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19755 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19755 5 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 19755 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'four RF channels and triple-resonance cryoprobes with pulsed-field gradients' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19755 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'four RF channels and triple-resonance cryoprobes with pulsed-field gradients' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19755 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'four RF channels and triple-resonance cryoprobes with pulsed-field gradients' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19755 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'four RF channels and triple-resonance cryoprobes with pulsed-field gradients' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19755 _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 Bruker Avance . 500 'four RF channels and triple-resonance cryoprobes with pulsed-field gradients' . . 19755 1 2 spectrometer_2 Bruker Avance . 600 'four RF channels and triple-resonance cryoprobes with pulsed-field gradients' . . 19755 1 3 spectrometer_3 Bruker Avance . 700 'four RF channels and triple-resonance cryoprobes with pulsed-field gradients' . . 19755 1 4 spectrometer_4 Bruker Avance . 800 'four RF channels and triple-resonance cryoprobes with pulsed-field gradients' . . 19755 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 19755 _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 . . . . . . . . . . . . . . . . 19755 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19755 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19755 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19755 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19755 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19755 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19755 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19755 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19755 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19755 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19755 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 19755 1 13 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19755 1 14 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19755 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 19755 _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 . . . . . . . . . 19755 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19755 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19755 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 19755 _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 14 '3D HN(COCA)CB' . . . 19755 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CCPN_Analysis . . 19755 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 1 1 MET HA H 1 4.368 0.000 . . . . . A 1 MET HA . 19755 1 2 . 1 1 1 1 MET HB2 H 1 2.031 0.006 . . . . . A 1 MET HB2 . 19755 1 3 . 1 1 1 1 MET HB3 H 1 2.099 0.008 . . . . . A 1 MET HB3 . 19755 1 4 . 1 1 1 1 MET HG2 H 1 2.309 0.001 . . . . . A 1 MET HG2 . 19755 1 5 . 1 1 1 1 MET HG3 H 1 2.435 0.018 . . . . . A 1 MET HG3 . 19755 1 6 . 1 1 1 1 MET HE1 H 1 1.889 0.006 . . . . . A 1 MET HE1 . 19755 1 7 . 1 1 1 1 MET HE2 H 1 1.889 0.006 . . . . . A 1 MET HE2 . 19755 1 8 . 1 1 1 1 MET HE3 H 1 1.889 0.006 . . . . . A 1 MET HE3 . 19755 1 9 . 1 1 1 1 MET CA C 13 55.192 0.088 . . . . . A 1 MET CA . 19755 1 10 . 1 1 1 1 MET CB C 13 33.795 0.123 . . . . . A 1 MET CB . 19755 1 11 . 1 1 1 1 MET CG C 13 31.213 0.036 . . . . . A 1 MET CG . 19755 1 12 . 1 1 1 1 MET CE C 13 17.478 0.047 . . . . . A 1 MET CE . 19755 1 13 . 1 1 2 2 GLU H H 1 8.571 0.018 . . . . . A 2 GLU H . 19755 1 14 . 1 1 2 2 GLU HA H 1 4.681 0.002 . . . . . A 2 GLU HA . 19755 1 15 . 1 1 2 2 GLU HB2 H 1 1.983 0.003 . . . . . A 2 GLU HB2 . 19755 1 16 . 1 1 2 2 GLU HB3 H 1 2.098 0.007 . . . . . A 2 GLU HB3 . 19755 1 17 . 1 1 2 2 GLU HG2 H 1 2.263 0.003 . . . . . A 2 GLU HG2 . 19755 1 18 . 1 1 2 2 GLU C C 13 174.704 0.064 . . . . . A 2 GLU C . 19755 1 19 . 1 1 2 2 GLU CA C 13 55.866 0.073 . . . . . A 2 GLU CA . 19755 1 20 . 1 1 2 2 GLU CB C 13 32.406 0.053 . . . . . A 2 GLU CB . 19755 1 21 . 1 1 2 2 GLU CG C 13 36.335 0.041 . . . . . A 2 GLU CG . 19755 1 22 . 1 1 2 2 GLU N N 15 123.952 0.048 . . . . . A 2 GLU N . 19755 1 23 . 1 1 3 3 ILE H H 1 8.565 0.004 . . . . . A 3 ILE H . 19755 1 24 . 1 1 3 3 ILE HA H 1 4.712 0.004 . . . . . A 3 ILE HA . 19755 1 25 . 1 1 3 3 ILE HB H 1 1.658 0.014 . . . . . A 3 ILE HB . 19755 1 26 . 1 1 3 3 ILE HG12 H 1 0.839 0.015 . . . . . A 3 ILE HG12 . 19755 1 27 . 1 1 3 3 ILE HG13 H 1 1.317 0.004 . . . . . A 3 ILE HG13 . 19755 1 28 . 1 1 3 3 ILE HG21 H 1 0.633 0.006 . . . . . A 3 ILE HG21 . 19755 1 29 . 1 1 3 3 ILE HG22 H 1 0.633 0.006 . . . . . A 3 ILE HG22 . 19755 1 30 . 1 1 3 3 ILE HG23 H 1 0.633 0.006 . . . . . A 3 ILE HG23 . 19755 1 31 . 1 1 3 3 ILE HD11 H 1 0.603 0.004 . . . . . A 3 ILE HD11 . 19755 1 32 . 1 1 3 3 ILE HD12 H 1 0.603 0.004 . . . . . A 3 ILE HD12 . 19755 1 33 . 1 1 3 3 ILE HD13 H 1 0.603 0.004 . . . . . A 3 ILE HD13 . 19755 1 34 . 1 1 3 3 ILE C C 13 174.736 0.000 . . . . . A 3 ILE C . 19755 1 35 . 1 1 3 3 ILE CA C 13 60.277 0.146 . . . . . A 3 ILE CA . 19755 1 36 . 1 1 3 3 ILE CB C 13 40.861 0.104 . . . . . A 3 ILE CB . 19755 1 37 . 1 1 3 3 ILE CG1 C 13 27.825 0.087 . . . . . A 3 ILE CG1 . 19755 1 38 . 1 1 3 3 ILE CG2 C 13 17.598 0.048 . . . . . A 3 ILE CG2 . 19755 1 39 . 1 1 3 3 ILE CD1 C 13 14.147 0.033 . . . . . A 3 ILE CD1 . 19755 1 40 . 1 1 3 3 ILE N N 15 121.558 0.041 . . . . . A 3 ILE N . 19755 1 41 . 1 1 4 4 GLU H H 1 9.153 0.008 . . . . . A 4 GLU H . 19755 1 42 . 1 1 4 4 GLU HA H 1 4.561 0.007 . . . . . A 4 GLU HA . 19755 1 43 . 1 1 4 4 GLU HB2 H 1 1.868 0.003 . . . . . A 4 GLU HB2 . 19755 1 44 . 1 1 4 4 GLU HB3 H 1 1.926 0.004 . . . . . A 4 GLU HB3 . 19755 1 45 . 1 1 4 4 GLU HG2 H 1 2.158 0.005 . . . . . A 4 GLU HG2 . 19755 1 46 . 1 1 4 4 GLU HG3 H 1 1.927 0.003 . . . . . A 4 GLU HG3 . 19755 1 47 . 1 1 4 4 GLU C C 13 174.708 0.067 . . . . . A 4 GLU C . 19755 1 48 . 1 1 4 4 GLU CA C 13 55.228 0.058 . . . . . A 4 GLU CA . 19755 1 49 . 1 1 4 4 GLU CB C 13 33.009 0.037 . . . . . A 4 GLU CB . 19755 1 50 . 1 1 4 4 GLU CG C 13 36.205 0.036 . . . . . A 4 GLU CG . 19755 1 51 . 1 1 4 4 GLU N N 15 126.319 0.068 . . . . . A 4 GLU N . 19755 1 52 . 1 1 5 5 ARG H H 1 9.002 0.003 . . . . . A 5 ARG H . 19755 1 53 . 1 1 5 5 ARG HA H 1 4.560 0.003 . . . . . A 5 ARG HA . 19755 1 54 . 1 1 5 5 ARG HB2 H 1 1.703 0.002 . . . . . A 5 ARG HB2 . 19755 1 55 . 1 1 5 5 ARG HB3 H 1 1.960 0.016 . . . . . A 5 ARG HB3 . 19755 1 56 . 1 1 5 5 ARG HG2 H 1 1.526 0.001 . . . . . A 5 ARG HG2 . 19755 1 57 . 1 1 5 5 ARG HG3 H 1 1.561 0.003 . . . . . A 5 ARG HG3 . 19755 1 58 . 1 1 5 5 ARG HD2 H 1 3.289 0.003 . . . . . A 5 ARG HD2 . 19755 1 59 . 1 1 5 5 ARG HD3 H 1 3.051 0.002 . . . . . A 5 ARG HD3 . 19755 1 60 . 1 1 5 5 ARG C C 13 175.807 0.109 . . . . . A 5 ARG C . 19755 1 61 . 1 1 5 5 ARG CA C 13 55.123 0.082 . . . . . A 5 ARG CA . 19755 1 62 . 1 1 5 5 ARG CB C 13 29.653 0.040 . . . . . A 5 ARG CB . 19755 1 63 . 1 1 5 5 ARG CG C 13 27.571 0.031 . . . . . A 5 ARG CG . 19755 1 64 . 1 1 5 5 ARG CD C 13 43.565 0.085 . . . . . A 5 ARG CD . 19755 1 65 . 1 1 5 5 ARG N N 15 127.727 0.040 . . . . . A 5 ARG N . 19755 1 66 . 1 1 6 6 ILE H H 1 8.030 0.005 . . . . . A 6 ILE H . 19755 1 67 . 1 1 6 6 ILE HA H 1 3.904 0.002 . . . . . A 6 ILE HA . 19755 1 68 . 1 1 6 6 ILE HB H 1 1.488 0.005 . . . . . A 6 ILE HB . 19755 1 69 . 1 1 6 6 ILE HG12 H 1 1.318 0.005 . . . . . A 6 ILE HG12 . 19755 1 70 . 1 1 6 6 ILE HG13 H 1 1.181 0.008 . . . . . A 6 ILE HG13 . 19755 1 71 . 1 1 6 6 ILE HG21 H 1 0.863 0.004 . . . . . A 6 ILE HG21 . 19755 1 72 . 1 1 6 6 ILE HG22 H 1 0.863 0.004 . . . . . A 6 ILE HG22 . 19755 1 73 . 1 1 6 6 ILE HG23 H 1 0.863 0.004 . . . . . A 6 ILE HG23 . 19755 1 74 . 1 1 6 6 ILE HD11 H 1 0.683 0.005 . . . . . A 6 ILE HD11 . 19755 1 75 . 1 1 6 6 ILE HD12 H 1 0.683 0.005 . . . . . A 6 ILE HD12 . 19755 1 76 . 1 1 6 6 ILE HD13 H 1 0.683 0.005 . . . . . A 6 ILE HD13 . 19755 1 77 . 1 1 6 6 ILE C C 13 176.468 0.059 . . . . . A 6 ILE C . 19755 1 78 . 1 1 6 6 ILE CA C 13 62.971 0.066 . . . . . A 6 ILE CA . 19755 1 79 . 1 1 6 6 ILE CB C 13 38.162 0.076 . . . . . A 6 ILE CB . 19755 1 80 . 1 1 6 6 ILE CG1 C 13 27.903 0.052 . . . . . A 6 ILE CG1 . 19755 1 81 . 1 1 6 6 ILE CG2 C 13 16.942 0.042 . . . . . A 6 ILE CG2 . 19755 1 82 . 1 1 6 6 ILE CD1 C 13 12.050 0.014 . . . . . A 6 ILE CD1 . 19755 1 83 . 1 1 6 6 ILE N N 15 129.149 0.048 . . . . . A 6 ILE N . 19755 1 84 . 1 1 7 7 ASN H H 1 8.147 0.005 . . . . . A 7 ASN H . 19755 1 85 . 1 1 7 7 ASN HA H 1 4.559 0.010 . . . . . A 7 ASN HA . 19755 1 86 . 1 1 7 7 ASN HB2 H 1 3.298 0.003 . . . . . A 7 ASN HB2 . 19755 1 87 . 1 1 7 7 ASN HB3 H 1 3.167 0.005 . . . . . A 7 ASN HB3 . 19755 1 88 . 1 1 7 7 ASN HD21 H 1 7.846 0.005 . . . . . A 7 ASN HD21 . 19755 1 89 . 1 1 7 7 ASN HD22 H 1 6.802 0.005 . . . . . A 7 ASN HD22 . 19755 1 90 . 1 1 7 7 ASN C C 13 175.254 0.000 . . . . . A 7 ASN C . 19755 1 91 . 1 1 7 7 ASN CA C 13 52.853 0.086 . . . . . A 7 ASN CA . 19755 1 92 . 1 1 7 7 ASN CB C 13 38.275 0.101 . . . . . A 7 ASN CB . 19755 1 93 . 1 1 7 7 ASN N N 15 112.808 0.070 . . . . . A 7 ASN N . 19755 1 94 . 1 1 7 7 ASN ND2 N 15 114.944 0.036 . . . . . A 7 ASN ND2 . 19755 1 95 . 1 1 8 8 GLU H H 1 8.770 0.011 . . . . . A 8 GLU H . 19755 1 96 . 1 1 8 8 GLU HA H 1 4.050 0.004 . . . . . A 8 GLU HA . 19755 1 97 . 1 1 8 8 GLU HB2 H 1 1.734 0.008 . . . . . A 8 GLU HB2 . 19755 1 98 . 1 1 8 8 GLU HB3 H 1 1.894 0.005 . . . . . A 8 GLU HB3 . 19755 1 99 . 1 1 8 8 GLU HG2 H 1 2.028 0.001 . . . . . A 8 GLU HG2 . 19755 1 100 . 1 1 8 8 GLU HG3 H 1 1.962 0.005 . . . . . A 8 GLU HG3 . 19755 1 101 . 1 1 8 8 GLU C C 13 176.486 0.019 . . . . . A 8 GLU C . 19755 1 102 . 1 1 8 8 GLU CA C 13 59.802 0.085 . . . . . A 8 GLU CA . 19755 1 103 . 1 1 8 8 GLU CB C 13 29.451 0.081 . . . . . A 8 GLU CB . 19755 1 104 . 1 1 8 8 GLU CG C 13 35.857 0.025 . . . . . A 8 GLU CG . 19755 1 105 . 1 1 8 8 GLU N N 15 121.087 0.083 . . . . . A 8 GLU N . 19755 1 106 . 1 1 9 9 HIS H H 1 7.921 0.008 . . . . . A 9 HIS H . 19755 1 107 . 1 1 9 9 HIS HA H 1 4.965 0.004 . . . . . A 9 HIS HA . 19755 1 108 . 1 1 9 9 HIS HB2 H 1 3.111 0.004 . . . . . A 9 HIS HB2 . 19755 1 109 . 1 1 9 9 HIS HB3 H 1 3.334 0.004 . . . . . A 9 HIS HB3 . 19755 1 110 . 1 1 9 9 HIS HD2 H 1 6.905 0.005 . . . . . A 9 HIS HD2 . 19755 1 111 . 1 1 9 9 HIS HE1 H 1 7.675 0.003 . . . . . A 9 HIS HE1 . 19755 1 112 . 1 1 9 9 HIS CA C 13 55.805 0.150 . . . . . A 9 HIS CA . 19755 1 113 . 1 1 9 9 HIS CB C 13 32.984 0.073 . . . . . A 9 HIS CB . 19755 1 114 . 1 1 9 9 HIS CD2 C 13 119.578 0.085 . . . . . A 9 HIS CD2 . 19755 1 115 . 1 1 9 9 HIS CE1 C 13 138.727 0.087 . . . . . A 9 HIS CE1 . 19755 1 116 . 1 1 9 9 HIS N N 15 113.719 0.032 . . . . . A 9 HIS N . 19755 1 117 . 1 1 10 10 THR H H 1 7.349 0.004 . . . . . A 10 THR H . 19755 1 118 . 1 1 10 10 THR HA H 1 5.736 0.004 . . . . . A 10 THR HA . 19755 1 119 . 1 1 10 10 THR HB H 1 3.547 0.004 . . . . . A 10 THR HB . 19755 1 120 . 1 1 10 10 THR HG21 H 1 1.051 0.004 . . . . . A 10 THR HG21 . 19755 1 121 . 1 1 10 10 THR HG22 H 1 1.051 0.004 . . . . . A 10 THR HG22 . 19755 1 122 . 1 1 10 10 THR HG23 H 1 1.051 0.004 . . . . . A 10 THR HG23 . 19755 1 123 . 1 1 10 10 THR C C 13 173.396 0.003 . . . . . A 10 THR C . 19755 1 124 . 1 1 10 10 THR CA C 13 62.820 0.115 . . . . . A 10 THR CA . 19755 1 125 . 1 1 10 10 THR CB C 13 71.465 0.044 . . . . . A 10 THR CB . 19755 1 126 . 1 1 10 10 THR CG2 C 13 21.439 0.030 . . . . . A 10 THR CG2 . 19755 1 127 . 1 1 10 10 THR N N 15 116.218 0.038 . . . . . A 10 THR N . 19755 1 128 . 1 1 11 11 VAL H H 1 9.043 0.004 . . . . . A 11 VAL H . 19755 1 129 . 1 1 11 11 VAL HA H 1 4.857 0.000 . . . . . A 11 VAL HA . 19755 1 130 . 1 1 11 11 VAL HB H 1 1.723 0.009 . . . . . A 11 VAL HB . 19755 1 131 . 1 1 11 11 VAL HG11 H 1 0.576 0.009 . . . . . A 11 VAL HG11 . 19755 1 132 . 1 1 11 11 VAL HG12 H 1 0.576 0.009 . . . . . A 11 VAL HG12 . 19755 1 133 . 1 1 11 11 VAL HG13 H 1 0.576 0.009 . . . . . A 11 VAL HG13 . 19755 1 134 . 1 1 11 11 VAL HG21 H 1 0.695 0.014 . . . . . A 11 VAL HG21 . 19755 1 135 . 1 1 11 11 VAL HG22 H 1 0.695 0.014 . . . . . A 11 VAL HG22 . 19755 1 136 . 1 1 11 11 VAL HG23 H 1 0.695 0.014 . . . . . A 11 VAL HG23 . 19755 1 137 . 1 1 11 11 VAL C C 13 172.156 0.026 . . . . . A 11 VAL C . 19755 1 138 . 1 1 11 11 VAL CA C 13 59.876 0.045 . . . . . A 11 VAL CA . 19755 1 139 . 1 1 11 11 VAL CB C 13 35.986 0.076 . . . . . A 11 VAL CB . 19755 1 140 . 1 1 11 11 VAL CG1 C 13 20.748 0.055 . . . . . A 11 VAL CG1 . 19755 1 141 . 1 1 11 11 VAL CG2 C 13 21.754 0.109 . . . . . A 11 VAL CG2 . 19755 1 142 . 1 1 11 11 VAL N N 15 124.880 0.062 . . . . . A 11 VAL N . 19755 1 143 . 1 1 12 12 LYS H H 1 8.884 0.005 . . . . . A 12 LYS H . 19755 1 144 . 1 1 12 12 LYS HA H 1 5.584 0.011 . . . . . A 12 LYS HA . 19755 1 145 . 1 1 12 12 LYS HB2 H 1 1.647 0.007 . . . . . A 12 LYS HB2 . 19755 1 146 . 1 1 12 12 LYS HB3 H 1 1.507 0.005 . . . . . A 12 LYS HB3 . 19755 1 147 . 1 1 12 12 LYS HG2 H 1 1.154 0.004 . . . . . A 12 LYS HG2 . 19755 1 148 . 1 1 12 12 LYS HG3 H 1 1.209 0.005 . . . . . A 12 LYS HG3 . 19755 1 149 . 1 1 12 12 LYS HD2 H 1 1.471 0.004 . . . . . A 12 LYS HD2 . 19755 1 150 . 1 1 12 12 LYS HD3 H 1 1.507 0.002 . . . . . A 12 LYS HD3 . 19755 1 151 . 1 1 12 12 LYS HE2 H 1 2.674 0.003 . . . . . A 12 LYS HE2 . 19755 1 152 . 1 1 12 12 LYS HE3 H 1 2.768 0.002 . . . . . A 12 LYS HE3 . 19755 1 153 . 1 1 12 12 LYS C C 13 173.380 0.000 . . . . . A 12 LYS C . 19755 1 154 . 1 1 12 12 LYS CA C 13 54.205 0.091 . . . . . A 12 LYS CA . 19755 1 155 . 1 1 12 12 LYS CB C 13 37.457 0.093 . . . . . A 12 LYS CB . 19755 1 156 . 1 1 12 12 LYS CG C 13 24.771 0.042 . . . . . A 12 LYS CG . 19755 1 157 . 1 1 12 12 LYS CD C 13 29.894 0.048 . . . . . A 12 LYS CD . 19755 1 158 . 1 1 12 12 LYS CE C 13 42.003 0.048 . . . . . A 12 LYS CE . 19755 1 159 . 1 1 12 12 LYS N N 15 124.164 0.029 . . . . . A 12 LYS N . 19755 1 160 . 1 1 13 13 PHE H H 1 8.989 0.004 . . . . . A 13 PHE H . 19755 1 161 . 1 1 13 13 PHE HA H 1 5.328 0.002 . . . . . A 13 PHE HA . 19755 1 162 . 1 1 13 13 PHE HB2 H 1 3.037 0.008 . . . . . A 13 PHE HB2 . 19755 1 163 . 1 1 13 13 PHE HB3 H 1 3.080 0.001 . . . . . A 13 PHE HB3 . 19755 1 164 . 1 1 13 13 PHE HD1 H 1 6.847 0.004 . . . . . A 13 PHE HD1 . 19755 1 165 . 1 1 13 13 PHE HD2 H 1 6.847 0.004 . . . . . A 13 PHE HD2 . 19755 1 166 . 1 1 13 13 PHE HE1 H 1 6.954 0.003 . . . . . A 13 PHE HE1 . 19755 1 167 . 1 1 13 13 PHE HE2 H 1 6.954 0.003 . . . . . A 13 PHE HE2 . 19755 1 168 . 1 1 13 13 PHE HZ H 1 6.804 0.004 . . . . . A 13 PHE HZ . 19755 1 169 . 1 1 13 13 PHE C C 13 172.237 0.053 . . . . . A 13 PHE C . 19755 1 170 . 1 1 13 13 PHE CA C 13 55.986 0.074 . . . . . A 13 PHE CA . 19755 1 171 . 1 1 13 13 PHE CB C 13 41.916 0.051 . . . . . A 13 PHE CB . 19755 1 172 . 1 1 13 13 PHE CD1 C 13 132.248 0.073 . . . . . A 13 PHE CD1 . 19755 1 173 . 1 1 13 13 PHE CD2 C 13 132.248 0.073 . . . . . A 13 PHE CD2 . 19755 1 174 . 1 1 13 13 PHE CE1 C 13 130.587 0.051 . . . . . A 13 PHE CE1 . 19755 1 175 . 1 1 13 13 PHE CE2 C 13 130.587 0.051 . . . . . A 13 PHE CE2 . 19755 1 176 . 1 1 13 13 PHE CZ C 13 128.588 0.031 . . . . . A 13 PHE CZ . 19755 1 177 . 1 1 13 13 PHE N N 15 124.228 0.040 . . . . . A 13 PHE N . 19755 1 178 . 1 1 14 14 TYR H H 1 8.670 0.010 . . . . . A 14 TYR H . 19755 1 179 . 1 1 14 14 TYR HA H 1 5.387 0.005 . . . . . A 14 TYR HA . 19755 1 180 . 1 1 14 14 TYR HB2 H 1 2.651 0.005 . . . . . A 14 TYR HB2 . 19755 1 181 . 1 1 14 14 TYR HB3 H 1 3.033 0.003 . . . . . A 14 TYR HB3 . 19755 1 182 . 1 1 14 14 TYR HD1 H 1 6.759 0.003 . . . . . A 14 TYR HD1 . 19755 1 183 . 1 1 14 14 TYR HD2 H 1 6.759 0.003 . . . . . A 14 TYR HD2 . 19755 1 184 . 1 1 14 14 TYR HE1 H 1 6.417 0.004 . . . . . A 14 TYR HE1 . 19755 1 185 . 1 1 14 14 TYR HE2 H 1 6.417 0.004 . . . . . A 14 TYR HE2 . 19755 1 186 . 1 1 14 14 TYR C C 13 174.713 0.003 . . . . . A 14 TYR C . 19755 1 187 . 1 1 14 14 TYR CA C 13 55.953 0.070 . . . . . A 14 TYR CA . 19755 1 188 . 1 1 14 14 TYR CB C 13 41.508 0.052 . . . . . A 14 TYR CB . 19755 1 189 . 1 1 14 14 TYR CD1 C 13 133.373 0.037 . . . . . A 14 TYR CD1 . 19755 1 190 . 1 1 14 14 TYR CD2 C 13 133.373 0.037 . . . . . A 14 TYR CD2 . 19755 1 191 . 1 1 14 14 TYR CE1 C 13 117.350 0.102 . . . . . A 14 TYR CE1 . 19755 1 192 . 1 1 14 14 TYR CE2 C 13 117.350 0.102 . . . . . A 14 TYR CE2 . 19755 1 193 . 1 1 14 14 TYR N N 15 121.263 0.030 . . . . . A 14 TYR N . 19755 1 194 . 1 1 15 15 MET H H 1 7.927 0.011 . . . . . A 15 MET H . 19755 1 195 . 1 1 15 15 MET HA H 1 4.417 0.003 . . . . . A 15 MET HA . 19755 1 196 . 1 1 15 15 MET HB2 H 1 1.647 0.005 . . . . . A 15 MET HB2 . 19755 1 197 . 1 1 15 15 MET HB3 H 1 1.800 0.009 . . . . . A 15 MET HB3 . 19755 1 198 . 1 1 15 15 MET HG2 H 1 2.546 0.007 . . . . . A 15 MET HG2 . 19755 1 199 . 1 1 15 15 MET HG3 H 1 2.398 0.004 . . . . . A 15 MET HG3 . 19755 1 200 . 1 1 15 15 MET HE1 H 1 1.814 0.003 . . . . . A 15 MET HE1 . 19755 1 201 . 1 1 15 15 MET HE2 H 1 1.814 0.003 . . . . . A 15 MET HE2 . 19755 1 202 . 1 1 15 15 MET HE3 H 1 1.814 0.003 . . . . . A 15 MET HE3 . 19755 1 203 . 1 1 15 15 MET C C 13 173.614 0.000 . . . . . A 15 MET C . 19755 1 204 . 1 1 15 15 MET CA C 13 54.305 0.121 . . . . . A 15 MET CA . 19755 1 205 . 1 1 15 15 MET CB C 13 37.439 0.104 . . . . . A 15 MET CB . 19755 1 206 . 1 1 15 15 MET CG C 13 33.112 0.064 . . . . . A 15 MET CG . 19755 1 207 . 1 1 15 15 MET CE C 13 17.539 0.106 . . . . . A 15 MET CE . 19755 1 208 . 1 1 15 15 MET N N 15 124.869 0.043 . . . . . A 15 MET N . 19755 1 209 . 1 1 16 16 SER H H 1 9.061 0.003 . . . . . A 16 SER H . 19755 1 210 . 1 1 16 16 SER HA H 1 4.396 0.004 . . . . . A 16 SER HA . 19755 1 211 . 1 1 16 16 SER HB2 H 1 4.059 0.005 . . . . . A 16 SER HB2 . 19755 1 212 . 1 1 16 16 SER HB3 H 1 4.338 0.010 . . . . . A 16 SER HB3 . 19755 1 213 . 1 1 16 16 SER C C 13 175.508 0.014 . . . . . A 16 SER C . 19755 1 214 . 1 1 16 16 SER CA C 13 57.637 0.123 . . . . . A 16 SER CA . 19755 1 215 . 1 1 16 16 SER CB C 13 65.033 0.054 . . . . . A 16 SER CB . 19755 1 216 . 1 1 16 16 SER N N 15 120.626 0.057 . . . . . A 16 SER N . 19755 1 217 . 1 1 17 17 TYR H H 1 8.411 0.003 . . . . . A 17 TYR H . 19755 1 218 . 1 1 17 17 TYR HA H 1 4.360 0.003 . . . . . A 17 TYR HA . 19755 1 219 . 1 1 17 17 TYR HB2 H 1 2.802 0.008 . . . . . A 17 TYR HB2 . 19755 1 220 . 1 1 17 17 TYR HB3 H 1 3.126 0.006 . . . . . A 17 TYR HB3 . 19755 1 221 . 1 1 17 17 TYR HD1 H 1 6.954 0.003 . . . . . A 17 TYR HD1 . 19755 1 222 . 1 1 17 17 TYR HD2 H 1 6.954 0.003 . . . . . A 17 TYR HD2 . 19755 1 223 . 1 1 17 17 TYR HE1 H 1 6.714 0.003 . . . . . A 17 TYR HE1 . 19755 1 224 . 1 1 17 17 TYR HE2 H 1 6.714 0.003 . . . . . A 17 TYR HE2 . 19755 1 225 . 1 1 17 17 TYR C C 13 178.684 0.006 . . . . . A 17 TYR C . 19755 1 226 . 1 1 17 17 TYR CA C 13 61.956 0.051 . . . . . A 17 TYR CA . 19755 1 227 . 1 1 17 17 TYR CB C 13 36.989 0.060 . . . . . A 17 TYR CB . 19755 1 228 . 1 1 17 17 TYR CD1 C 13 131.743 0.086 . . . . . A 17 TYR CD1 . 19755 1 229 . 1 1 17 17 TYR CD2 C 13 131.743 0.086 . . . . . A 17 TYR CD2 . 19755 1 230 . 1 1 17 17 TYR CE1 C 13 119.097 0.066 . . . . . A 17 TYR CE1 . 19755 1 231 . 1 1 17 17 TYR CE2 C 13 119.097 0.066 . . . . . A 17 TYR CE2 . 19755 1 232 . 1 1 17 17 TYR N N 15 119.917 0.036 . . . . . A 17 TYR N . 19755 1 233 . 1 1 18 18 GLY H H 1 8.534 0.007 . . . . . A 18 GLY H . 19755 1 234 . 1 1 18 18 GLY HA2 H 1 3.903 0.005 . . . . . A 18 GLY HA2 . 19755 1 235 . 1 1 18 18 GLY C C 13 175.454 0.025 . . . . . A 18 GLY C . 19755 1 236 . 1 1 18 18 GLY CA C 13 47.446 0.040 . . . . . A 18 GLY CA . 19755 1 237 . 1 1 18 18 GLY N N 15 107.011 0.053 . . . . . A 18 GLY N . 19755 1 238 . 1 1 19 19 ASP H H 1 7.788 0.006 . . . . . A 19 ASP H . 19755 1 239 . 1 1 19 19 ASP HA H 1 4.392 0.004 . . . . . A 19 ASP HA . 19755 1 240 . 1 1 19 19 ASP HB2 H 1 2.968 0.005 . . . . . A 19 ASP HB2 . 19755 1 241 . 1 1 19 19 ASP HB3 H 1 2.700 0.009 . . . . . A 19 ASP HB3 . 19755 1 242 . 1 1 19 19 ASP C C 13 179.020 0.027 . . . . . A 19 ASP C . 19755 1 243 . 1 1 19 19 ASP CA C 13 57.443 0.133 . . . . . A 19 ASP CA . 19755 1 244 . 1 1 19 19 ASP CB C 13 40.914 0.049 . . . . . A 19 ASP CB . 19755 1 245 . 1 1 19 19 ASP N N 15 122.947 0.044 . . . . . A 19 ASP N . 19755 1 246 . 1 1 20 20 ILE H H 1 7.762 0.005 . . . . . A 20 ILE H . 19755 1 247 . 1 1 20 20 ILE HA H 1 3.528 0.008 . . . . . A 20 ILE HA . 19755 1 248 . 1 1 20 20 ILE HB H 1 2.099 0.003 . . . . . A 20 ILE HB . 19755 1 249 . 1 1 20 20 ILE HG12 H 1 0.940 0.006 . . . . . A 20 ILE HG12 . 19755 1 250 . 1 1 20 20 ILE HG13 H 1 1.753 0.003 . . . . . A 20 ILE HG13 . 19755 1 251 . 1 1 20 20 ILE HG21 H 1 0.800 0.005 . . . . . A 20 ILE HG21 . 19755 1 252 . 1 1 20 20 ILE HG22 H 1 0.800 0.005 . . . . . A 20 ILE HG22 . 19755 1 253 . 1 1 20 20 ILE HG23 H 1 0.800 0.005 . . . . . A 20 ILE HG23 . 19755 1 254 . 1 1 20 20 ILE HD11 H 1 0.687 0.004 . . . . . A 20 ILE HD11 . 19755 1 255 . 1 1 20 20 ILE HD12 H 1 0.687 0.004 . . . . . A 20 ILE HD12 . 19755 1 256 . 1 1 20 20 ILE HD13 H 1 0.687 0.004 . . . . . A 20 ILE HD13 . 19755 1 257 . 1 1 20 20 ILE C C 13 177.939 0.076 . . . . . A 20 ILE C . 19755 1 258 . 1 1 20 20 ILE CA C 13 66.310 0.088 . . . . . A 20 ILE CA . 19755 1 259 . 1 1 20 20 ILE CB C 13 38.886 0.065 . . . . . A 20 ILE CB . 19755 1 260 . 1 1 20 20 ILE CG1 C 13 29.869 0.061 . . . . . A 20 ILE CG1 . 19755 1 261 . 1 1 20 20 ILE CG2 C 13 18.331 0.083 . . . . . A 20 ILE CG2 . 19755 1 262 . 1 1 20 20 ILE CD1 C 13 14.347 0.094 . . . . . A 20 ILE CD1 . 19755 1 263 . 1 1 20 20 ILE N N 15 119.114 0.037 . . . . . A 20 ILE N . 19755 1 264 . 1 1 21 21 GLU H H 1 8.113 0.009 . . . . . A 21 GLU H . 19755 1 265 . 1 1 21 21 GLU HA H 1 4.582 0.002 . . . . . A 21 GLU HA . 19755 1 266 . 1 1 21 21 GLU HB2 H 1 2.125 0.007 . . . . . A 21 GLU HB2 . 19755 1 267 . 1 1 21 21 GLU HB3 H 1 2.228 0.004 . . . . . A 21 GLU HB3 . 19755 1 268 . 1 1 21 21 GLU HG2 H 1 2.527 0.003 . . . . . A 21 GLU HG2 . 19755 1 269 . 1 1 21 21 GLU HG3 H 1 2.578 0.004 . . . . . A 21 GLU HG3 . 19755 1 270 . 1 1 21 21 GLU C C 13 181.888 0.039 . . . . . A 21 GLU C . 19755 1 271 . 1 1 21 21 GLU CA C 13 59.207 0.074 . . . . . A 21 GLU CA . 19755 1 272 . 1 1 21 21 GLU CB C 13 29.414 0.051 . . . . . A 21 GLU CB . 19755 1 273 . 1 1 21 21 GLU CG C 13 37.076 0.073 . . . . . A 21 GLU CG . 19755 1 274 . 1 1 21 21 GLU N N 15 119.999 0.096 . . . . . A 21 GLU N . 19755 1 275 . 1 1 22 22 ASP H H 1 8.699 0.004 . . . . . A 22 ASP H . 19755 1 276 . 1 1 22 22 ASP HA H 1 4.474 0.004 . . . . . A 22 ASP HA . 19755 1 277 . 1 1 22 22 ASP HB2 H 1 2.722 0.003 . . . . . A 22 ASP HB2 . 19755 1 278 . 1 1 22 22 ASP HB3 H 1 2.911 0.004 . . . . . A 22 ASP HB3 . 19755 1 279 . 1 1 22 22 ASP C C 13 178.184 0.009 . . . . . A 22 ASP C . 19755 1 280 . 1 1 22 22 ASP CA C 13 57.335 0.113 . . . . . A 22 ASP CA . 19755 1 281 . 1 1 22 22 ASP CB C 13 40.867 0.081 . . . . . A 22 ASP CB . 19755 1 282 . 1 1 22 22 ASP N N 15 122.667 0.015 . . . . . A 22 ASP N . 19755 1 283 . 1 1 23 23 ARG H H 1 7.380 0.003 . . . . . A 23 ARG H . 19755 1 284 . 1 1 23 23 ARG HA H 1 4.344 0.002 . . . . . A 23 ARG HA . 19755 1 285 . 1 1 23 23 ARG HB2 H 1 1.896 0.010 . . . . . A 23 ARG HB2 . 19755 1 286 . 1 1 23 23 ARG HB3 H 1 2.393 0.007 . . . . . A 23 ARG HB3 . 19755 1 287 . 1 1 23 23 ARG HG2 H 1 1.884 0.002 . . . . . A 23 ARG HG2 . 19755 1 288 . 1 1 23 23 ARG HG3 H 1 1.756 0.001 . . . . . A 23 ARG HG3 . 19755 1 289 . 1 1 23 23 ARG HD2 H 1 2.830 0.008 . . . . . A 23 ARG HD2 . 19755 1 290 . 1 1 23 23 ARG HD3 H 1 3.110 0.003 . . . . . A 23 ARG HD3 . 19755 1 291 . 1 1 23 23 ARG C C 13 176.101 0.067 . . . . . A 23 ARG C . 19755 1 292 . 1 1 23 23 ARG CA C 13 56.652 0.071 . . . . . A 23 ARG CA . 19755 1 293 . 1 1 23 23 ARG CB C 13 30.797 0.122 . . . . . A 23 ARG CB . 19755 1 294 . 1 1 23 23 ARG CG C 13 29.329 0.065 . . . . . A 23 ARG CG . 19755 1 295 . 1 1 23 23 ARG CD C 13 43.651 0.045 . . . . . A 23 ARG CD . 19755 1 296 . 1 1 23 23 ARG N N 15 116.862 0.036 . . . . . A 23 ARG N . 19755 1 297 . 1 1 24 24 GLY H H 1 8.004 0.004 . . . . . A 24 GLY H . 19755 1 298 . 1 1 24 24 GLY HA2 H 1 4.024 0.004 . . . . . A 24 GLY HA2 . 19755 1 299 . 1 1 24 24 GLY HA3 H 1 3.688 0.004 . . . . . A 24 GLY HA3 . 19755 1 300 . 1 1 24 24 GLY C C 13 174.117 0.021 . . . . . A 24 GLY C . 19755 1 301 . 1 1 24 24 GLY CA C 13 45.493 0.062 . . . . . A 24 GLY CA . 19755 1 302 . 1 1 24 24 GLY N N 15 106.318 0.038 . . . . . A 24 GLY N . 19755 1 303 . 1 1 25 25 PHE H H 1 7.550 0.004 . . . . . A 25 PHE H . 19755 1 304 . 1 1 25 25 PHE HA H 1 4.622 0.003 . . . . . A 25 PHE HA . 19755 1 305 . 1 1 25 25 PHE HB2 H 1 2.713 0.007 . . . . . A 25 PHE HB2 . 19755 1 306 . 1 1 25 25 PHE HB3 H 1 2.770 0.003 . . . . . A 25 PHE HB3 . 19755 1 307 . 1 1 25 25 PHE HD1 H 1 6.984 0.003 . . . . . A 25 PHE HD1 . 19755 1 308 . 1 1 25 25 PHE HD2 H 1 6.984 0.003 . . . . . A 25 PHE HD2 . 19755 1 309 . 1 1 25 25 PHE HE1 H 1 7.220 0.005 . . . . . A 25 PHE HE1 . 19755 1 310 . 1 1 25 25 PHE HE2 H 1 7.220 0.005 . . . . . A 25 PHE HE2 . 19755 1 311 . 1 1 25 25 PHE C C 13 174.127 0.024 . . . . . A 25 PHE C . 19755 1 312 . 1 1 25 25 PHE CA C 13 56.930 0.055 . . . . . A 25 PHE CA . 19755 1 313 . 1 1 25 25 PHE CB C 13 41.871 0.077 . . . . . A 25 PHE CB . 19755 1 314 . 1 1 25 25 PHE CD1 C 13 131.867 0.036 . . . . . A 25 PHE CD1 . 19755 1 315 . 1 1 25 25 PHE CD2 C 13 131.867 0.036 . . . . . A 25 PHE CD2 . 19755 1 316 . 1 1 25 25 PHE CE1 C 13 132.012 0.174 . . . . . A 25 PHE CE1 . 19755 1 317 . 1 1 25 25 PHE CE2 C 13 132.012 0.174 . . . . . A 25 PHE CE2 . 19755 1 318 . 1 1 25 25 PHE N N 15 118.274 0.057 . . . . . A 25 PHE N . 19755 1 319 . 1 1 26 26 ASP H H 1 8.891 0.006 . . . . . A 26 ASP H . 19755 1 320 . 1 1 26 26 ASP HA H 1 4.894 0.008 . . . . . A 26 ASP HA . 19755 1 321 . 1 1 26 26 ASP HB2 H 1 2.687 0.004 . . . . . A 26 ASP HB2 . 19755 1 322 . 1 1 26 26 ASP HB3 H 1 2.727 0.002 . . . . . A 26 ASP HB3 . 19755 1 323 . 1 1 26 26 ASP C C 13 177.370 0.045 . . . . . A 26 ASP C . 19755 1 324 . 1 1 26 26 ASP CA C 13 53.107 0.078 . . . . . A 26 ASP CA . 19755 1 325 . 1 1 26 26 ASP CB C 13 44.066 0.066 . . . . . A 26 ASP CB . 19755 1 326 . 1 1 26 26 ASP N N 15 121.320 0.036 . . . . . A 26 ASP N . 19755 1 327 . 1 1 27 27 ARG H H 1 9.033 0.009 . . . . . A 27 ARG H . 19755 1 328 . 1 1 27 27 ARG HA H 1 3.842 0.007 . . . . . A 27 ARG HA . 19755 1 329 . 1 1 27 27 ARG HB2 H 1 1.826 0.001 . . . . . A 27 ARG HB2 . 19755 1 330 . 1 1 27 27 ARG HB3 H 1 1.717 0.009 . . . . . A 27 ARG HB3 . 19755 1 331 . 1 1 27 27 ARG HG2 H 1 1.615 0.006 . . . . . A 27 ARG HG2 . 19755 1 332 . 1 1 27 27 ARG HG3 H 1 1.342 0.010 . . . . . A 27 ARG HG3 . 19755 1 333 . 1 1 27 27 ARG HD2 H 1 2.511 0.009 . . . . . A 27 ARG HD2 . 19755 1 334 . 1 1 27 27 ARG HD3 H 1 2.851 0.006 . . . . . A 27 ARG HD3 . 19755 1 335 . 1 1 27 27 ARG C C 13 176.201 0.000 . . . . . A 27 ARG C . 19755 1 336 . 1 1 27 27 ARG CA C 13 59.857 0.077 . . . . . A 27 ARG CA . 19755 1 337 . 1 1 27 27 ARG CB C 13 29.675 0.042 . . . . . A 27 ARG CB . 19755 1 338 . 1 1 27 27 ARG CG C 13 25.592 0.091 . . . . . A 27 ARG CG . 19755 1 339 . 1 1 27 27 ARG CD C 13 43.548 0.047 . . . . . A 27 ARG CD . 19755 1 340 . 1 1 27 27 ARG N N 15 124.100 0.059 . . . . . A 27 ARG N . 19755 1 341 . 1 1 28 28 GLU H H 1 8.362 0.003 . . . . . A 28 GLU H . 19755 1 342 . 1 1 28 28 GLU HA H 1 4.037 0.004 . . . . . A 28 GLU HA . 19755 1 343 . 1 1 28 28 GLU HB2 H 1 2.180 0.005 . . . . . A 28 GLU HB2 . 19755 1 344 . 1 1 28 28 GLU HB3 H 1 2.114 0.004 . . . . . A 28 GLU HB3 . 19755 1 345 . 1 1 28 28 GLU HG2 H 1 2.361 0.006 . . . . . A 28 GLU HG2 . 19755 1 346 . 1 1 28 28 GLU HG3 H 1 2.267 0.006 . . . . . A 28 GLU HG3 . 19755 1 347 . 1 1 28 28 GLU C C 13 178.889 0.011 . . . . . A 28 GLU C . 19755 1 348 . 1 1 28 28 GLU CA C 13 59.255 0.073 . . . . . A 28 GLU CA . 19755 1 349 . 1 1 28 28 GLU CB C 13 29.450 0.056 . . . . . A 28 GLU CB . 19755 1 350 . 1 1 28 28 GLU CG C 13 37.387 0.049 . . . . . A 28 GLU CG . 19755 1 351 . 1 1 28 28 GLU N N 15 118.451 0.043 . . . . . A 28 GLU N . 19755 1 352 . 1 1 29 29 GLU H H 1 7.821 0.008 . . . . . A 29 GLU H . 19755 1 353 . 1 1 29 29 GLU HA H 1 4.085 0.004 . . . . . A 29 GLU HA . 19755 1 354 . 1 1 29 29 GLU HB2 H 1 2.081 0.002 . . . . . A 29 GLU HB2 . 19755 1 355 . 1 1 29 29 GLU HB3 H 1 2.357 0.003 . . . . . A 29 GLU HB3 . 19755 1 356 . 1 1 29 29 GLU HG2 H 1 2.504 0.006 . . . . . A 29 GLU HG2 . 19755 1 357 . 1 1 29 29 GLU HG3 H 1 2.425 0.003 . . . . . A 29 GLU HG3 . 19755 1 358 . 1 1 29 29 GLU C C 13 178.137 0.071 . . . . . A 29 GLU C . 19755 1 359 . 1 1 29 29 GLU CA C 13 58.960 0.063 . . . . . A 29 GLU CA . 19755 1 360 . 1 1 29 29 GLU CB C 13 30.452 0.074 . . . . . A 29 GLU CB . 19755 1 361 . 1 1 29 29 GLU CG C 13 37.412 0.069 . . . . . A 29 GLU CG . 19755 1 362 . 1 1 29 29 GLU N N 15 118.302 0.059 . . . . . A 29 GLU N . 19755 1 363 . 1 1 30 30 ILE H H 1 7.363 0.003 . . . . . A 30 ILE H . 19755 1 364 . 1 1 30 30 ILE HA H 1 3.627 0.004 . . . . . A 30 ILE HA . 19755 1 365 . 1 1 30 30 ILE HB H 1 1.852 0.008 . . . . . A 30 ILE HB . 19755 1 366 . 1 1 30 30 ILE HG12 H 1 1.465 0.002 . . . . . A 30 ILE HG12 . 19755 1 367 . 1 1 30 30 ILE HG13 H 1 1.099 0.003 . . . . . A 30 ILE HG13 . 19755 1 368 . 1 1 30 30 ILE HG21 H 1 0.625 0.004 . . . . . A 30 ILE HG21 . 19755 1 369 . 1 1 30 30 ILE HG22 H 1 0.625 0.004 . . . . . A 30 ILE HG22 . 19755 1 370 . 1 1 30 30 ILE HG23 H 1 0.625 0.004 . . . . . A 30 ILE HG23 . 19755 1 371 . 1 1 30 30 ILE HD11 H 1 0.419 0.004 . . . . . A 30 ILE HD11 . 19755 1 372 . 1 1 30 30 ILE HD12 H 1 0.419 0.004 . . . . . A 30 ILE HD12 . 19755 1 373 . 1 1 30 30 ILE HD13 H 1 0.419 0.004 . . . . . A 30 ILE HD13 . 19755 1 374 . 1 1 30 30 ILE C C 13 176.229 0.011 . . . . . A 30 ILE C . 19755 1 375 . 1 1 30 30 ILE CA C 13 62.063 0.068 . . . . . A 30 ILE CA . 19755 1 376 . 1 1 30 30 ILE CB C 13 35.940 0.082 . . . . . A 30 ILE CB . 19755 1 377 . 1 1 30 30 ILE CG1 C 13 27.607 0.058 . . . . . A 30 ILE CG1 . 19755 1 378 . 1 1 30 30 ILE CG2 C 13 18.706 0.056 . . . . . A 30 ILE CG2 . 19755 1 379 . 1 1 30 30 ILE CD1 C 13 11.891 0.041 . . . . . A 30 ILE CD1 . 19755 1 380 . 1 1 30 30 ILE N N 15 115.456 0.069 . . . . . A 30 ILE N . 19755 1 381 . 1 1 31 31 TRP H H 1 7.410 0.005 . . . . . A 31 TRP H . 19755 1 382 . 1 1 31 31 TRP HA H 1 4.150 0.005 . . . . . A 31 TRP HA . 19755 1 383 . 1 1 31 31 TRP HB2 H 1 2.838 0.011 . . . . . A 31 TRP HB2 . 19755 1 384 . 1 1 31 31 TRP HB3 H 1 2.974 0.007 . . . . . A 31 TRP HB3 . 19755 1 385 . 1 1 31 31 TRP HD1 H 1 6.607 0.004 . . . . . A 31 TRP HD1 . 19755 1 386 . 1 1 31 31 TRP HE1 H 1 9.772 0.003 . . . . . A 31 TRP HE1 . 19755 1 387 . 1 1 31 31 TRP HE3 H 1 7.293 0.002 . . . . . A 31 TRP HE3 . 19755 1 388 . 1 1 31 31 TRP HZ2 H 1 7.367 0.003 . . . . . A 31 TRP HZ2 . 19755 1 389 . 1 1 31 31 TRP HZ3 H 1 7.008 0.003 . . . . . A 31 TRP HZ3 . 19755 1 390 . 1 1 31 31 TRP HH2 H 1 7.152 0.006 . . . . . A 31 TRP HH2 . 19755 1 391 . 1 1 31 31 TRP C C 13 178.092 0.022 . . . . . A 31 TRP C . 19755 1 392 . 1 1 31 31 TRP CA C 13 59.618 0.114 . . . . . A 31 TRP CA . 19755 1 393 . 1 1 31 31 TRP CB C 13 29.628 0.098 . . . . . A 31 TRP CB . 19755 1 394 . 1 1 31 31 TRP CD1 C 13 126.047 0.095 . . . . . A 31 TRP CD1 . 19755 1 395 . 1 1 31 31 TRP CE3 C 13 120.390 0.003 . . . . . A 31 TRP CE3 . 19755 1 396 . 1 1 31 31 TRP CZ2 C 13 114.515 0.066 . . . . . A 31 TRP CZ2 . 19755 1 397 . 1 1 31 31 TRP CZ3 C 13 121.983 0.024 . . . . . A 31 TRP CZ3 . 19755 1 398 . 1 1 31 31 TRP CH2 C 13 124.582 0.045 . . . . . A 31 TRP CH2 . 19755 1 399 . 1 1 31 31 TRP N N 15 116.714 0.071 . . . . . A 31 TRP N . 19755 1 400 . 1 1 31 31 TRP NE1 N 15 127.814 0.032 . . . . . A 31 TRP NE1 . 19755 1 401 . 1 1 32 32 TYR H H 1 7.577 0.003 . . . . . A 32 TYR H . 19755 1 402 . 1 1 32 32 TYR HA H 1 4.766 0.000 . . . . . A 32 TYR HA . 19755 1 403 . 1 1 32 32 TYR HB2 H 1 2.978 0.007 . . . . . A 32 TYR HB2 . 19755 1 404 . 1 1 32 32 TYR HB3 H 1 3.154 0.006 . . . . . A 32 TYR HB3 . 19755 1 405 . 1 1 32 32 TYR HD1 H 1 7.223 0.004 . . . . . A 32 TYR HD1 . 19755 1 406 . 1 1 32 32 TYR HD2 H 1 7.223 0.004 . . . . . A 32 TYR HD2 . 19755 1 407 . 1 1 32 32 TYR HE1 H 1 6.819 0.003 . . . . . A 32 TYR HE1 . 19755 1 408 . 1 1 32 32 TYR HE2 H 1 6.819 0.003 . . . . . A 32 TYR HE2 . 19755 1 409 . 1 1 32 32 TYR C C 13 175.767 0.000 . . . . . A 32 TYR C . 19755 1 410 . 1 1 32 32 TYR CA C 13 58.632 0.074 . . . . . A 32 TYR CA . 19755 1 411 . 1 1 32 32 TYR CB C 13 40.222 0.094 . . . . . A 32 TYR CB . 19755 1 412 . 1 1 32 32 TYR CD1 C 13 133.750 0.047 . . . . . A 32 TYR CD1 . 19755 1 413 . 1 1 32 32 TYR CD2 C 13 133.750 0.047 . . . . . A 32 TYR CD2 . 19755 1 414 . 1 1 32 32 TYR CE1 C 13 118.164 0.056 . . . . . A 32 TYR CE1 . 19755 1 415 . 1 1 32 32 TYR CE2 C 13 118.164 0.056 . . . . . A 32 TYR CE2 . 19755 1 416 . 1 1 32 32 TYR N N 15 112.769 0.044 . . . . . A 32 TYR N . 19755 1 417 . 1 1 33 33 ASN H H 1 8.364 0.005 . . . . . A 33 ASN H . 19755 1 418 . 1 1 33 33 ASN HA H 1 5.048 0.005 . . . . . A 33 ASN HA . 19755 1 419 . 1 1 33 33 ASN HB2 H 1 2.720 0.006 . . . . . A 33 ASN HB2 . 19755 1 420 . 1 1 33 33 ASN HB3 H 1 3.407 0.009 . . . . . A 33 ASN HB3 . 19755 1 421 . 1 1 33 33 ASN HD21 H 1 7.797 0.002 . . . . . A 33 ASN HD21 . 19755 1 422 . 1 1 33 33 ASN HD22 H 1 7.185 0.002 . . . . . A 33 ASN HD22 . 19755 1 423 . 1 1 33 33 ASN C C 13 174.851 0.075 . . . . . A 33 ASN C . 19755 1 424 . 1 1 33 33 ASN CA C 13 52.320 0.106 . . . . . A 33 ASN CA . 19755 1 425 . 1 1 33 33 ASN CB C 13 39.213 0.079 . . . . . A 33 ASN CB . 19755 1 426 . 1 1 33 33 ASN N N 15 120.521 0.039 . . . . . A 33 ASN N . 19755 1 427 . 1 1 33 33 ASN ND2 N 15 112.376 0.042 . . . . . A 33 ASN ND2 . 19755 1 428 . 1 1 34 34 ARG H H 1 8.830 0.011 . . . . . A 34 ARG H . 19755 1 429 . 1 1 34 34 ARG HA H 1 4.185 0.003 . . . . . A 34 ARG HA . 19755 1 430 . 1 1 34 34 ARG HB2 H 1 1.858 0.003 . . . . . A 34 ARG HB2 . 19755 1 431 . 1 1 34 34 ARG HB3 H 1 1.896 0.001 . . . . . A 34 ARG HB3 . 19755 1 432 . 1 1 34 34 ARG HG2 H 1 1.726 0.012 . . . . . A 34 ARG HG2 . 19755 1 433 . 1 1 34 34 ARG HG3 H 1 1.701 0.006 . . . . . A 34 ARG HG3 . 19755 1 434 . 1 1 34 34 ARG HD2 H 1 3.296 0.002 . . . . . A 34 ARG HD2 . 19755 1 435 . 1 1 34 34 ARG HD3 H 1 3.189 0.003 . . . . . A 34 ARG HD3 . 19755 1 436 . 1 1 34 34 ARG C C 13 178.509 0.000 . . . . . A 34 ARG C . 19755 1 437 . 1 1 34 34 ARG CA C 13 58.504 0.048 . . . . . A 34 ARG CA . 19755 1 438 . 1 1 34 34 ARG CB C 13 29.493 0.041 . . . . . A 34 ARG CB . 19755 1 439 . 1 1 34 34 ARG CG C 13 27.098 0.051 . . . . . A 34 ARG CG . 19755 1 440 . 1 1 34 34 ARG CD C 13 43.131 0.091 . . . . . A 34 ARG CD . 19755 1 441 . 1 1 34 34 ARG N N 15 126.163 0.033 . . . . . A 34 ARG N . 19755 1 442 . 1 1 35 35 GLU H H 1 8.380 0.005 . . . . . A 35 GLU H . 19755 1 443 . 1 1 35 35 GLU HA H 1 4.160 0.003 . . . . . A 35 GLU HA . 19755 1 444 . 1 1 35 35 GLU HB2 H 1 2.229 0.003 . . . . . A 35 GLU HB2 . 19755 1 445 . 1 1 35 35 GLU HB3 H 1 2.122 0.008 . . . . . A 35 GLU HB3 . 19755 1 446 . 1 1 35 35 GLU HG2 H 1 2.368 0.002 . . . . . A 35 GLU HG2 . 19755 1 447 . 1 1 35 35 GLU HG3 H 1 2.260 0.008 . . . . . A 35 GLU HG3 . 19755 1 448 . 1 1 35 35 GLU C C 13 179.839 0.056 . . . . . A 35 GLU C . 19755 1 449 . 1 1 35 35 GLU CA C 13 60.191 0.062 . . . . . A 35 GLU CA . 19755 1 450 . 1 1 35 35 GLU CB C 13 29.433 0.048 . . . . . A 35 GLU CB . 19755 1 451 . 1 1 35 35 GLU CG C 13 36.801 0.033 . . . . . A 35 GLU CG . 19755 1 452 . 1 1 35 35 GLU N N 15 118.994 0.030 . . . . . A 35 GLU N . 19755 1 453 . 1 1 36 36 ARG H H 1 7.686 0.005 . . . . . A 36 ARG H . 19755 1 454 . 1 1 36 36 ARG HA H 1 4.400 0.003 . . . . . A 36 ARG HA . 19755 1 455 . 1 1 36 36 ARG HB2 H 1 1.899 0.003 . . . . . A 36 ARG HB2 . 19755 1 456 . 1 1 36 36 ARG HB3 H 1 1.940 0.001 . . . . . A 36 ARG HB3 . 19755 1 457 . 1 1 36 36 ARG HG2 H 1 1.763 0.006 . . . . . A 36 ARG HG2 . 19755 1 458 . 1 1 36 36 ARG HG3 H 1 1.803 0.001 . . . . . A 36 ARG HG3 . 19755 1 459 . 1 1 36 36 ARG HD2 H 1 3.408 0.006 . . . . . A 36 ARG HD2 . 19755 1 460 . 1 1 36 36 ARG HD3 H 1 3.353 0.003 . . . . . A 36 ARG HD3 . 19755 1 461 . 1 1 36 36 ARG C C 13 178.217 0.035 . . . . . A 36 ARG C . 19755 1 462 . 1 1 36 36 ARG CA C 13 57.394 0.066 . . . . . A 36 ARG CA . 19755 1 463 . 1 1 36 36 ARG CB C 13 29.535 0.072 . . . . . A 36 ARG CB . 19755 1 464 . 1 1 36 36 ARG CG C 13 26.708 0.067 . . . . . A 36 ARG CG . 19755 1 465 . 1 1 36 36 ARG CD C 13 42.023 0.029 . . . . . A 36 ARG CD . 19755 1 466 . 1 1 36 36 ARG N N 15 119.197 0.060 . . . . . A 36 ARG N . 19755 1 467 . 1 1 37 37 SER H H 1 8.282 0.004 . . . . . A 37 SER H . 19755 1 468 . 1 1 37 37 SER HA H 1 3.899 0.003 . . . . . A 37 SER HA . 19755 1 469 . 1 1 37 37 SER HB2 H 1 3.720 0.008 . . . . . A 37 SER HB2 . 19755 1 470 . 1 1 37 37 SER HB3 H 1 3.978 0.004 . . . . . A 37 SER HB3 . 19755 1 471 . 1 1 37 37 SER C C 13 178.298 0.000 . . . . . A 37 SER C . 19755 1 472 . 1 1 37 37 SER CA C 13 62.455 0.225 . . . . . A 37 SER CA . 19755 1 473 . 1 1 37 37 SER CB C 13 62.542 0.061 . . . . . A 37 SER CB . 19755 1 474 . 1 1 37 37 SER N N 15 114.607 0.028 . . . . . A 37 SER N . 19755 1 475 . 1 1 38 38 GLU H H 1 7.849 0.005 . . . . . A 38 GLU H . 19755 1 476 . 1 1 38 38 GLU HA H 1 3.756 0.004 . . . . . A 38 GLU HA . 19755 1 477 . 1 1 38 38 GLU HB2 H 1 2.180 0.007 . . . . . A 38 GLU HB2 . 19755 1 478 . 1 1 38 38 GLU HB3 H 1 2.117 0.001 . . . . . A 38 GLU HB3 . 19755 1 479 . 1 1 38 38 GLU HG2 H 1 2.520 0.005 . . . . . A 38 GLU HG2 . 19755 1 480 . 1 1 38 38 GLU HG3 H 1 2.419 0.003 . . . . . A 38 GLU HG3 . 19755 1 481 . 1 1 38 38 GLU C C 13 177.182 0.000 . . . . . A 38 GLU C . 19755 1 482 . 1 1 38 38 GLU CA C 13 60.298 0.080 . . . . . A 38 GLU CA . 19755 1 483 . 1 1 38 38 GLU CB C 13 29.274 0.092 . . . . . A 38 GLU CB . 19755 1 484 . 1 1 38 38 GLU CG C 13 37.769 0.016 . . . . . A 38 GLU CG . 19755 1 485 . 1 1 38 38 GLU N N 15 121.063 0.053 . . . . . A 38 GLU N . 19755 1 486 . 1 1 39 39 GLU H H 1 7.686 0.005 . . . . . A 39 GLU H . 19755 1 487 . 1 1 39 39 GLU HA H 1 4.229 0.006 . . . . . A 39 GLU HA . 19755 1 488 . 1 1 39 39 GLU HB2 H 1 2.388 0.011 . . . . . A 39 GLU HB2 . 19755 1 489 . 1 1 39 39 GLU HB3 H 1 2.528 0.010 . . . . . A 39 GLU HB3 . 19755 1 490 . 1 1 39 39 GLU HG2 H 1 2.712 0.008 . . . . . A 39 GLU HG2 . 19755 1 491 . 1 1 39 39 GLU HG3 H 1 2.424 0.006 . . . . . A 39 GLU HG3 . 19755 1 492 . 1 1 39 39 GLU C C 13 179.781 0.009 . . . . . A 39 GLU C . 19755 1 493 . 1 1 39 39 GLU CA C 13 60.172 0.074 . . . . . A 39 GLU CA . 19755 1 494 . 1 1 39 39 GLU CB C 13 30.059 0.080 . . . . . A 39 GLU CB . 19755 1 495 . 1 1 39 39 GLU CG C 13 36.940 0.052 . . . . . A 39 GLU CG . 19755 1 496 . 1 1 39 39 GLU N N 15 119.119 0.030 . . . . . A 39 GLU N . 19755 1 497 . 1 1 40 40 LEU H H 1 7.739 0.005 . . . . . A 40 LEU H . 19755 1 498 . 1 1 40 40 LEU HA H 1 3.692 0.006 . . . . . A 40 LEU HA . 19755 1 499 . 1 1 40 40 LEU HB2 H 1 0.394 0.010 . . . . . A 40 LEU HB2 . 19755 1 500 . 1 1 40 40 LEU HB3 H 1 1.629 0.009 . . . . . A 40 LEU HB3 . 19755 1 501 . 1 1 40 40 LEU HG H 1 0.540 0.008 . . . . . A 40 LEU HG . 19755 1 502 . 1 1 40 40 LEU HD11 H 1 0.378 0.005 . . . . . A 40 LEU HD11 . 19755 1 503 . 1 1 40 40 LEU HD12 H 1 0.378 0.005 . . . . . A 40 LEU HD12 . 19755 1 504 . 1 1 40 40 LEU HD13 H 1 0.378 0.005 . . . . . A 40 LEU HD13 . 19755 1 505 . 1 1 40 40 LEU C C 13 177.155 0.006 . . . . . A 40 LEU C . 19755 1 506 . 1 1 40 40 LEU CA C 13 58.264 0.075 . . . . . A 40 LEU CA . 19755 1 507 . 1 1 40 40 LEU CB C 13 40.449 0.096 . . . . . A 40 LEU CB . 19755 1 508 . 1 1 40 40 LEU CG C 13 26.470 0.056 . . . . . A 40 LEU CG . 19755 1 509 . 1 1 40 40 LEU CD1 C 13 22.948 0.051 . . . . . A 40 LEU CD1 . 19755 1 510 . 1 1 40 40 LEU N N 15 120.164 0.046 . . . . . A 40 LEU N . 19755 1 511 . 1 1 41 41 PHE H H 1 7.825 0.008 . . . . . A 41 PHE H . 19755 1 512 . 1 1 41 41 PHE HA H 1 3.805 0.007 . . . . . A 41 PHE HA . 19755 1 513 . 1 1 41 41 PHE HB2 H 1 2.775 0.006 . . . . . A 41 PHE HB2 . 19755 1 514 . 1 1 41 41 PHE HB3 H 1 3.019 0.009 . . . . . A 41 PHE HB3 . 19755 1 515 . 1 1 41 41 PHE HD1 H 1 7.026 0.002 . . . . . A 41 PHE HD1 . 19755 1 516 . 1 1 41 41 PHE HD2 H 1 7.026 0.002 . . . . . A 41 PHE HD2 . 19755 1 517 . 1 1 41 41 PHE HE1 H 1 7.286 0.007 . . . . . A 41 PHE HE1 . 19755 1 518 . 1 1 41 41 PHE HE2 H 1 7.286 0.007 . . . . . A 41 PHE HE2 . 19755 1 519 . 1 1 41 41 PHE C C 13 176.387 0.075 . . . . . A 41 PHE C . 19755 1 520 . 1 1 41 41 PHE CA C 13 61.364 0.056 . . . . . A 41 PHE CA . 19755 1 521 . 1 1 41 41 PHE CB C 13 38.069 0.042 . . . . . A 41 PHE CB . 19755 1 522 . 1 1 41 41 PHE CD1 C 13 129.415 0.048 . . . . . A 41 PHE CD1 . 19755 1 523 . 1 1 41 41 PHE CD2 C 13 129.415 0.048 . . . . . A 41 PHE CD2 . 19755 1 524 . 1 1 41 41 PHE CE1 C 13 131.828 0.145 . . . . . A 41 PHE CE1 . 19755 1 525 . 1 1 41 41 PHE CE2 C 13 131.828 0.145 . . . . . A 41 PHE CE2 . 19755 1 526 . 1 1 41 41 PHE N N 15 118.207 0.051 . . . . . A 41 PHE N . 19755 1 527 . 1 1 42 42 TRP H H 1 8.266 0.005 . . . . . A 42 TRP H . 19755 1 528 . 1 1 42 42 TRP HA H 1 4.124 0.003 . . . . . A 42 TRP HA . 19755 1 529 . 1 1 42 42 TRP HB2 H 1 3.160 0.002 . . . . . A 42 TRP HB2 . 19755 1 530 . 1 1 42 42 TRP HB3 H 1 3.372 0.003 . . . . . A 42 TRP HB3 . 19755 1 531 . 1 1 42 42 TRP HD1 H 1 7.386 0.002 . . . . . A 42 TRP HD1 . 19755 1 532 . 1 1 42 42 TRP HE1 H 1 10.804 0.005 . . . . . A 42 TRP HE1 . 19755 1 533 . 1 1 42 42 TRP HE3 H 1 7.537 0.003 . . . . . A 42 TRP HE3 . 19755 1 534 . 1 1 42 42 TRP HZ2 H 1 7.628 0.005 . . . . . A 42 TRP HZ2 . 19755 1 535 . 1 1 42 42 TRP HZ3 H 1 7.159 0.002 . . . . . A 42 TRP HZ3 . 19755 1 536 . 1 1 42 42 TRP HH2 H 1 7.414 0.003 . . . . . A 42 TRP HH2 . 19755 1 537 . 1 1 42 42 TRP C C 13 179.071 0.029 . . . . . A 42 TRP C . 19755 1 538 . 1 1 42 42 TRP CA C 13 60.079 0.080 . . . . . A 42 TRP CA . 19755 1 539 . 1 1 42 42 TRP CB C 13 29.454 0.055 . . . . . A 42 TRP CB . 19755 1 540 . 1 1 42 42 TRP CD1 C 13 129.632 0.034 . . . . . A 42 TRP CD1 . 19755 1 541 . 1 1 42 42 TRP CE3 C 13 121.407 0.129 . . . . . A 42 TRP CE3 . 19755 1 542 . 1 1 42 42 TRP CZ2 C 13 114.896 0.064 . . . . . A 42 TRP CZ2 . 19755 1 543 . 1 1 42 42 TRP CZ3 C 13 120.458 0.000 . . . . . A 42 TRP CZ3 . 19755 1 544 . 1 1 42 42 TRP CH2 C 13 124.397 0.002 . . . . . A 42 TRP CH2 . 19755 1 545 . 1 1 42 42 TRP N N 15 117.448 0.038 . . . . . A 42 TRP N . 19755 1 546 . 1 1 42 42 TRP NE1 N 15 128.852 0.027 . . . . . A 42 TRP NE1 . 19755 1 547 . 1 1 43 43 GLU H H 1 7.918 0.005 . . . . . A 43 GLU H . 19755 1 548 . 1 1 43 43 GLU HA H 1 4.159 0.004 . . . . . A 43 GLU HA . 19755 1 549 . 1 1 43 43 GLU HB2 H 1 2.238 0.006 . . . . . A 43 GLU HB2 . 19755 1 550 . 1 1 43 43 GLU HB3 H 1 2.337 0.003 . . . . . A 43 GLU HB3 . 19755 1 551 . 1 1 43 43 GLU HG2 H 1 2.235 0.003 . . . . . A 43 GLU HG2 . 19755 1 552 . 1 1 43 43 GLU HG3 H 1 2.513 0.007 . . . . . A 43 GLU HG3 . 19755 1 553 . 1 1 43 43 GLU C C 13 179.556 0.024 . . . . . A 43 GLU C . 19755 1 554 . 1 1 43 43 GLU CA C 13 60.181 0.088 . . . . . A 43 GLU CA . 19755 1 555 . 1 1 43 43 GLU CB C 13 29.502 0.070 . . . . . A 43 GLU CB . 19755 1 556 . 1 1 43 43 GLU CG C 13 36.849 0.072 . . . . . A 43 GLU CG . 19755 1 557 . 1 1 43 43 GLU N N 15 120.573 0.052 . . . . . A 43 GLU N . 19755 1 558 . 1 1 44 44 VAL H H 1 7.947 0.008 . . . . . A 44 VAL H . 19755 1 559 . 1 1 44 44 VAL HA H 1 3.445 0.002 . . . . . A 44 VAL HA . 19755 1 560 . 1 1 44 44 VAL HB H 1 1.684 0.009 . . . . . A 44 VAL HB . 19755 1 561 . 1 1 44 44 VAL HG11 H 1 0.459 0.003 . . . . . A 44 VAL HG11 . 19755 1 562 . 1 1 44 44 VAL HG12 H 1 0.459 0.003 . . . . . A 44 VAL HG12 . 19755 1 563 . 1 1 44 44 VAL HG13 H 1 0.459 0.003 . . . . . A 44 VAL HG13 . 19755 1 564 . 1 1 44 44 VAL HG21 H 1 0.233 0.002 . . . . . A 44 VAL HG21 . 19755 1 565 . 1 1 44 44 VAL HG22 H 1 0.233 0.002 . . . . . A 44 VAL HG22 . 19755 1 566 . 1 1 44 44 VAL HG23 H 1 0.233 0.002 . . . . . A 44 VAL HG23 . 19755 1 567 . 1 1 44 44 VAL C C 13 178.356 0.000 . . . . . A 44 VAL C . 19755 1 568 . 1 1 44 44 VAL CA C 13 66.390 0.067 . . . . . A 44 VAL CA . 19755 1 569 . 1 1 44 44 VAL CB C 13 31.220 0.091 . . . . . A 44 VAL CB . 19755 1 570 . 1 1 44 44 VAL CG1 C 13 22.148 0.040 . . . . . A 44 VAL CG1 . 19755 1 571 . 1 1 44 44 VAL CG2 C 13 21.064 0.068 . . . . . A 44 VAL CG2 . 19755 1 572 . 1 1 44 44 VAL N N 15 119.502 0.061 . . . . . A 44 VAL N . 19755 1 573 . 1 1 45 45 MET H H 1 7.998 0.007 . . . . . A 45 MET H . 19755 1 574 . 1 1 45 45 MET HA H 1 4.118 0.002 . . . . . A 45 MET HA . 19755 1 575 . 1 1 45 45 MET HB3 H 1 1.772 0.002 . . . . . A 45 MET HB3 . 19755 1 576 . 1 1 45 45 MET HG3 H 1 1.411 0.002 . . . . . A 45 MET HG3 . 19755 1 577 . 1 1 45 45 MET HE1 H 1 1.676 0.005 . . . . . A 45 MET HE1 . 19755 1 578 . 1 1 45 45 MET HE2 H 1 1.676 0.005 . . . . . A 45 MET HE2 . 19755 1 579 . 1 1 45 45 MET HE3 H 1 1.676 0.005 . . . . . A 45 MET HE3 . 19755 1 580 . 1 1 45 45 MET C C 13 179.207 0.000 . . . . . A 45 MET C . 19755 1 581 . 1 1 45 45 MET CA C 13 56.677 0.058 . . . . . A 45 MET CA . 19755 1 582 . 1 1 45 45 MET CB C 13 31.094 0.070 . . . . . A 45 MET CB . 19755 1 583 . 1 1 45 45 MET CG C 13 33.001 0.018 . . . . . A 45 MET CG . 19755 1 584 . 1 1 45 45 MET CE C 13 17.460 0.073 . . . . . A 45 MET CE . 19755 1 585 . 1 1 45 45 MET N N 15 117.691 0.041 . . . . . A 45 MET N . 19755 1 586 . 1 1 46 46 ASP H H 1 7.773 0.006 . . . . . A 46 ASP H . 19755 1 587 . 1 1 46 46 ASP HA H 1 4.541 0.003 . . . . . A 46 ASP HA . 19755 1 588 . 1 1 46 46 ASP HB2 H 1 2.870 0.005 . . . . . A 46 ASP HB2 . 19755 1 589 . 1 1 46 46 ASP HB3 H 1 2.721 0.001 . . . . . A 46 ASP HB3 . 19755 1 590 . 1 1 46 46 ASP CA C 13 56.942 0.064 . . . . . A 46 ASP CA . 19755 1 591 . 1 1 46 46 ASP CB C 13 41.428 0.055 . . . . . A 46 ASP CB . 19755 1 592 . 1 1 46 46 ASP N N 15 119.109 0.036 . . . . . A 46 ASP N . 19755 1 593 . 1 1 47 47 GLU H H 1 7.608 0.007 . . . . . A 47 GLU H . 19755 1 594 . 1 1 47 47 GLU HA H 1 4.168 0.003 . . . . . A 47 GLU HA . 19755 1 595 . 1 1 47 47 GLU HB3 H 1 2.119 0.005 . . . . . A 47 GLU HB3 . 19755 1 596 . 1 1 47 47 GLU HG2 H 1 2.435 0.010 . . . . . A 47 GLU HG2 . 19755 1 597 . 1 1 47 47 GLU HG3 H 1 2.211 0.009 . . . . . A 47 GLU HG3 . 19755 1 598 . 1 1 47 47 GLU C C 13 177.957 0.037 . . . . . A 47 GLU C . 19755 1 599 . 1 1 47 47 GLU CA C 13 57.977 0.054 . . . . . A 47 GLU CA . 19755 1 600 . 1 1 47 47 GLU CB C 13 30.403 0.093 . . . . . A 47 GLU CB . 19755 1 601 . 1 1 47 47 GLU CG C 13 36.480 0.032 . . . . . A 47 GLU CG . 19755 1 602 . 1 1 47 47 GLU N N 15 118.018 0.058 . . . . . A 47 GLU N . 19755 1 603 . 1 1 48 48 VAL H H 1 7.508 0.004 . . . . . A 48 VAL H . 19755 1 604 . 1 1 48 48 VAL HA H 1 4.105 0.009 . . . . . A 48 VAL HA . 19755 1 605 . 1 1 48 48 VAL HB H 1 2.110 0.007 . . . . . A 48 VAL HB . 19755 1 606 . 1 1 48 48 VAL HG11 H 1 0.983 0.004 . . . . . A 48 VAL HG11 . 19755 1 607 . 1 1 48 48 VAL HG12 H 1 0.983 0.004 . . . . . A 48 VAL HG12 . 19755 1 608 . 1 1 48 48 VAL HG13 H 1 0.983 0.004 . . . . . A 48 VAL HG13 . 19755 1 609 . 1 1 48 48 VAL HG21 H 1 0.817 0.005 . . . . . A 48 VAL HG21 . 19755 1 610 . 1 1 48 48 VAL HG22 H 1 0.817 0.005 . . . . . A 48 VAL HG22 . 19755 1 611 . 1 1 48 48 VAL HG23 H 1 0.817 0.005 . . . . . A 48 VAL HG23 . 19755 1 612 . 1 1 48 48 VAL CA C 13 62.377 0.031 . . . . . A 48 VAL CA . 19755 1 613 . 1 1 48 48 VAL CB C 13 33.866 0.097 . . . . . A 48 VAL CB . 19755 1 614 . 1 1 48 48 VAL CG1 C 13 22.166 0.052 . . . . . A 48 VAL CG1 . 19755 1 615 . 1 1 48 48 VAL CG2 C 13 20.842 0.145 . . . . . A 48 VAL CG2 . 19755 1 616 . 1 1 48 48 VAL N N 15 115.277 0.052 . . . . . A 48 VAL N . 19755 1 617 . 1 1 49 49 HIS H H 1 8.099 0.003 . . . . . A 49 HIS H . 19755 1 618 . 1 1 49 49 HIS HA H 1 4.611 0.003 . . . . . A 49 HIS HA . 19755 1 619 . 1 1 49 49 HIS HB2 H 1 3.228 0.004 . . . . . A 49 HIS HB2 . 19755 1 620 . 1 1 49 49 HIS HB3 H 1 3.296 0.005 . . . . . A 49 HIS HB3 . 19755 1 621 . 1 1 49 49 HIS HD2 H 1 7.151 0.005 . . . . . A 49 HIS HD2 . 19755 1 622 . 1 1 49 49 HIS HE1 H 1 8.199 0.008 . . . . . A 49 HIS HE1 . 19755 1 623 . 1 1 49 49 HIS CA C 13 58.000 0.022 . . . . . A 49 HIS CA . 19755 1 624 . 1 1 49 49 HIS CB C 13 29.529 0.061 . . . . . A 49 HIS CB . 19755 1 625 . 1 1 49 49 HIS CD2 C 13 120.592 0.045 . . . . . A 49 HIS CD2 . 19755 1 626 . 1 1 49 49 HIS CE1 C 13 137.262 0.003 . . . . . A 49 HIS CE1 . 19755 1 627 . 1 1 49 49 HIS N N 15 121.222 0.017 . . . . . A 49 HIS N . 19755 1 628 . 1 1 50 50 GLU HA H 1 4.222 0.003 . . . . . A 50 GLU HA . 19755 1 629 . 1 1 50 50 GLU HB2 H 1 1.950 0.000 . . . . . A 50 GLU HB2 . 19755 1 630 . 1 1 50 50 GLU HB3 H 1 2.102 0.010 . . . . . A 50 GLU HB3 . 19755 1 631 . 1 1 50 50 GLU HG2 H 1 2.253 0.000 . . . . . A 50 GLU HG2 . 19755 1 632 . 1 1 50 50 GLU CA C 13 57.629 0.106 . . . . . A 50 GLU CA . 19755 1 633 . 1 1 50 50 GLU CB C 13 30.423 0.053 . . . . . A 50 GLU CB . 19755 1 634 . 1 1 50 50 GLU CG C 13 36.469 0.006 . . . . . A 50 GLU CG . 19755 1 635 . 1 1 51 51 GLU H H 1 8.121 0.010 . . . . . A 51 GLU H . 19755 1 636 . 1 1 51 51 GLU HA H 1 4.234 0.001 . . . . . A 51 GLU HA . 19755 1 637 . 1 1 51 51 GLU HB2 H 1 1.883 0.003 . . . . . A 51 GLU HB2 . 19755 1 638 . 1 1 51 51 GLU HB3 H 1 1.980 0.004 . . . . . A 51 GLU HB3 . 19755 1 639 . 1 1 51 51 GLU HG2 H 1 2.275 0.005 . . . . . A 51 GLU HG2 . 19755 1 640 . 1 1 51 51 GLU HG3 H 1 2.186 0.004 . . . . . A 51 GLU HG3 . 19755 1 641 . 1 1 51 51 GLU C C 13 176.279 0.008 . . . . . A 51 GLU C . 19755 1 642 . 1 1 51 51 GLU CA C 13 56.547 0.055 . . . . . A 51 GLU CA . 19755 1 643 . 1 1 51 51 GLU CB C 13 30.581 0.044 . . . . . A 51 GLU CB . 19755 1 644 . 1 1 51 51 GLU CG C 13 36.474 0.015 . . . . . A 51 GLU CG . 19755 1 645 . 1 1 51 51 GLU N N 15 119.589 0.041 . . . . . A 51 GLU N . 19755 1 646 . 1 1 52 52 GLU H H 1 8.412 0.014 . . . . . A 52 GLU H . 19755 1 647 . 1 1 52 52 GLU HA H 1 4.310 0.009 . . . . . A 52 GLU HA . 19755 1 648 . 1 1 52 52 GLU HB2 H 1 1.969 0.006 . . . . . A 52 GLU HB2 . 19755 1 649 . 1 1 52 52 GLU HB3 H 1 1.882 0.003 . . . . . A 52 GLU HB3 . 19755 1 650 . 1 1 52 52 GLU HG2 H 1 2.275 0.003 . . . . . A 52 GLU HG2 . 19755 1 651 . 1 1 52 52 GLU HG3 H 1 2.192 0.007 . . . . . A 52 GLU HG3 . 19755 1 652 . 1 1 52 52 GLU C C 13 176.127 0.157 . . . . . A 52 GLU C . 19755 1 653 . 1 1 52 52 GLU CA C 13 56.508 0.100 . . . . . A 52 GLU CA . 19755 1 654 . 1 1 52 52 GLU CB C 13 30.565 0.064 . . . . . A 52 GLU CB . 19755 1 655 . 1 1 52 52 GLU CG C 13 36.466 0.015 . . . . . A 52 GLU CG . 19755 1 656 . 1 1 52 52 GLU N N 15 122.410 0.067 . . . . . A 52 GLU N . 19755 1 657 . 1 1 53 53 GLU H H 1 8.361 0.009 . . . . . A 53 GLU H . 19755 1 658 . 1 1 53 53 GLU HA H 1 4.294 0.002 . . . . . A 53 GLU HA . 19755 1 659 . 1 1 53 53 GLU HB2 H 1 2.099 0.002 . . . . . A 53 GLU HB2 . 19755 1 660 . 1 1 53 53 GLU HB3 H 1 1.896 0.000 . . . . . A 53 GLU HB3 . 19755 1 661 . 1 1 53 53 GLU HG2 H 1 2.267 0.039 . . . . . A 53 GLU HG2 . 19755 1 662 . 1 1 53 53 GLU HG3 H 1 2.192 0.005 . . . . . A 53 GLU HG3 . 19755 1 663 . 1 1 53 53 GLU C C 13 176.242 0.005 . . . . . A 53 GLU C . 19755 1 664 . 1 1 53 53 GLU CA C 13 56.607 0.161 . . . . . A 53 GLU CA . 19755 1 665 . 1 1 53 53 GLU CB C 13 30.439 0.042 . . . . . A 53 GLU CB . 19755 1 666 . 1 1 53 53 GLU CG C 13 36.482 0.016 . . . . . A 53 GLU CG . 19755 1 667 . 1 1 53 53 GLU N N 15 121.407 0.033 . . . . . A 53 GLU N . 19755 1 668 . 1 1 54 54 PHE H H 1 8.147 0.004 . . . . . A 54 PHE H . 19755 1 669 . 1 1 54 54 PHE HA H 1 4.594 0.005 . . . . . A 54 PHE HA . 19755 1 670 . 1 1 54 54 PHE HB2 H 1 3.101 0.002 . . . . . A 54 PHE HB2 . 19755 1 671 . 1 1 54 54 PHE HB3 H 1 2.942 0.002 . . . . . A 54 PHE HB3 . 19755 1 672 . 1 1 54 54 PHE HD1 H 1 7.208 0.000 . . . . . A 54 PHE HD1 . 19755 1 673 . 1 1 54 54 PHE HD2 H 1 7.208 0.000 . . . . . A 54 PHE HD2 . 19755 1 674 . 1 1 54 54 PHE C C 13 176.021 0.158 . . . . . A 54 PHE C . 19755 1 675 . 1 1 54 54 PHE CA C 13 57.554 0.273 . . . . . A 54 PHE CA . 19755 1 676 . 1 1 54 54 PHE CB C 13 40.192 0.326 . . . . . A 54 PHE CB . 19755 1 677 . 1 1 54 54 PHE CD1 C 13 133.867 0.000 . . . . . A 54 PHE CD1 . 19755 1 678 . 1 1 54 54 PHE CD2 C 13 133.867 0.000 . . . . . A 54 PHE CD2 . 19755 1 679 . 1 1 54 54 PHE N N 15 121.128 0.106 . . . . . A 54 PHE N . 19755 1 680 . 1 1 55 55 ALA H H 1 8.124 0.008 . . . . . A 55 ALA H . 19755 1 681 . 1 1 55 55 ALA HA H 1 4.421 0.025 . . . . . A 55 ALA HA . 19755 1 682 . 1 1 55 55 ALA HB1 H 1 1.298 0.006 . . . . . A 55 ALA HB1 . 19755 1 683 . 1 1 55 55 ALA HB2 H 1 1.298 0.006 . . . . . A 55 ALA HB2 . 19755 1 684 . 1 1 55 55 ALA HB3 H 1 1.298 0.006 . . . . . A 55 ALA HB3 . 19755 1 685 . 1 1 55 55 ALA C C 13 177.391 0.034 . . . . . A 55 ALA C . 19755 1 686 . 1 1 55 55 ALA CA C 13 52.373 0.079 . . . . . A 55 ALA CA . 19755 1 687 . 1 1 55 55 ALA CB C 13 19.512 0.105 . . . . . A 55 ALA CB . 19755 1 688 . 1 1 55 55 ALA N N 15 126.124 0.092 . . . . . A 55 ALA N . 19755 1 689 . 1 1 56 56 VAL H H 1 7.958 0.013 . . . . . A 56 VAL H . 19755 1 690 . 1 1 56 56 VAL HA H 1 4.133 0.013 . . . . . A 56 VAL HA . 19755 1 691 . 1 1 56 56 VAL HB H 1 1.991 0.013 . . . . . A 56 VAL HB . 19755 1 692 . 1 1 56 56 VAL HG11 H 1 0.805 0.001 . . . . . A 56 VAL HG11 . 19755 1 693 . 1 1 56 56 VAL HG12 H 1 0.805 0.001 . . . . . A 56 VAL HG12 . 19755 1 694 . 1 1 56 56 VAL HG13 H 1 0.805 0.001 . . . . . A 56 VAL HG13 . 19755 1 695 . 1 1 56 56 VAL HG21 H 1 0.939 0.001 . . . . . A 56 VAL HG21 . 19755 1 696 . 1 1 56 56 VAL HG22 H 1 0.939 0.001 . . . . . A 56 VAL HG22 . 19755 1 697 . 1 1 56 56 VAL HG23 H 1 0.939 0.001 . . . . . A 56 VAL HG23 . 19755 1 698 . 1 1 56 56 VAL C C 13 176.128 0.005 . . . . . A 56 VAL C . 19755 1 699 . 1 1 56 56 VAL CA C 13 62.306 0.069 . . . . . A 56 VAL CA . 19755 1 700 . 1 1 56 56 VAL CB C 13 33.274 0.248 . . . . . A 56 VAL CB . 19755 1 701 . 1 1 56 56 VAL CG1 C 13 21.556 0.037 . . . . . A 56 VAL CG1 . 19755 1 702 . 1 1 56 56 VAL CG2 C 13 21.588 0.125 . . . . . A 56 VAL CG2 . 19755 1 703 . 1 1 56 56 VAL N N 15 119.019 0.060 . . . . . A 56 VAL N . 19755 1 704 . 1 1 57 57 GLU H H 1 8.413 0.010 . . . . . A 57 GLU H . 19755 1 705 . 1 1 57 57 GLU HA H 1 4.495 0.007 . . . . . A 57 GLU HA . 19755 1 706 . 1 1 57 57 GLU HB2 H 1 2.050 0.004 . . . . . A 57 GLU HB2 . 19755 1 707 . 1 1 57 57 GLU HB3 H 1 1.903 0.001 . . . . . A 57 GLU HB3 . 19755 1 708 . 1 1 57 57 GLU HG2 H 1 1.930 0.000 . . . . . A 57 GLU HG2 . 19755 1 709 . 1 1 57 57 GLU HG3 H 1 2.175 0.009 . . . . . A 57 GLU HG3 . 19755 1 710 . 1 1 57 57 GLU C C 13 176.082 0.202 . . . . . A 57 GLU C . 19755 1 711 . 1 1 57 57 GLU CA C 13 56.056 0.092 . . . . . A 57 GLU CA . 19755 1 712 . 1 1 57 57 GLU CB C 13 31.303 0.074 . . . . . A 57 GLU CB . 19755 1 713 . 1 1 57 57 GLU CG C 13 36.411 0.035 . . . . . A 57 GLU CG . 19755 1 714 . 1 1 57 57 GLU N N 15 124.588 0.086 . . . . . A 57 GLU N . 19755 1 715 . 1 1 58 58 GLY H H 1 8.040 0.007 . . . . . A 58 GLY H . 19755 1 716 . 1 1 58 58 GLY HA2 H 1 4.013 0.017 . . . . . A 58 GLY HA2 . 19755 1 717 . 1 1 58 58 GLY HA3 H 1 4.220 0.006 . . . . . A 58 GLY HA3 . 19755 1 718 . 1 1 58 58 GLY C C 13 170.660 0.000 . . . . . A 58 GLY C . 19755 1 719 . 1 1 58 58 GLY CA C 13 44.857 0.093 . . . . . A 58 GLY CA . 19755 1 720 . 1 1 58 58 GLY N N 15 110.794 0.045 . . . . . A 58 GLY N . 19755 1 721 . 1 1 59 59 PRO HA H 1 4.431 0.006 . . . . . A 59 PRO HA . 19755 1 722 . 1 1 59 59 PRO HB2 H 1 2.204 0.007 . . . . . A 59 PRO HB2 . 19755 1 723 . 1 1 59 59 PRO HB3 H 1 1.656 0.022 . . . . . A 59 PRO HB3 . 19755 1 724 . 1 1 59 59 PRO HG2 H 1 1.963 0.007 . . . . . A 59 PRO HG2 . 19755 1 725 . 1 1 59 59 PRO HD3 H 1 3.574 0.007 . . . . . A 59 PRO HD3 . 19755 1 726 . 1 1 59 59 PRO CA C 13 63.088 0.097 . . . . . A 59 PRO CA . 19755 1 727 . 1 1 59 59 PRO CB C 13 32.474 0.102 . . . . . A 59 PRO CB . 19755 1 728 . 1 1 59 59 PRO CG C 13 27.494 0.080 . . . . . A 59 PRO CG . 19755 1 729 . 1 1 59 59 PRO CD C 13 49.913 0.031 . . . . . A 59 PRO CD . 19755 1 730 . 1 1 60 60 LEU H H 1 8.367 0.004 . . . . . A 60 LEU H . 19755 1 731 . 1 1 60 60 LEU HB2 H 1 1.549 0.007 . . . . . A 60 LEU HB2 . 19755 1 732 . 1 1 60 60 LEU HB3 H 1 1.121 0.007 . . . . . A 60 LEU HB3 . 19755 1 733 . 1 1 60 60 LEU C C 13 176.392 0.000 . . . . . A 60 LEU C . 19755 1 734 . 1 1 60 60 LEU CA C 13 53.924 0.156 . . . . . A 60 LEU CA . 19755 1 735 . 1 1 60 60 LEU CB C 13 45.038 0.046 . . . . . A 60 LEU CB . 19755 1 736 . 1 1 60 60 LEU CG C 13 25.936 0.002 . . . . . A 60 LEU CG . 19755 1 737 . 1 1 60 60 LEU CD2 C 13 23.829 0.000 . . . . . A 60 LEU CD2 . 19755 1 738 . 1 1 60 60 LEU N N 15 120.609 0.062 . . . . . A 60 LEU N . 19755 1 739 . 1 1 61 61 TRP H H 1 9.101 0.008 . . . . . A 61 TRP H . 19755 1 740 . 1 1 61 61 TRP HA H 1 4.961 0.000 . . . . . A 61 TRP HA . 19755 1 741 . 1 1 61 61 TRP HB2 H 1 3.024 0.009 . . . . . A 61 TRP HB2 . 19755 1 742 . 1 1 61 61 TRP HB3 H 1 3.134 0.005 . . . . . A 61 TRP HB3 . 19755 1 743 . 1 1 61 61 TRP HD1 H 1 7.099 0.005 . . . . . A 61 TRP HD1 . 19755 1 744 . 1 1 61 61 TRP HE1 H 1 10.051 0.006 . . . . . A 61 TRP HE1 . 19755 1 745 . 1 1 61 61 TRP HE3 H 1 7.509 0.002 . . . . . A 61 TRP HE3 . 19755 1 746 . 1 1 61 61 TRP HZ2 H 1 7.395 0.001 . . . . . A 61 TRP HZ2 . 19755 1 747 . 1 1 61 61 TRP HZ3 H 1 7.056 0.000 . . . . . A 61 TRP HZ3 . 19755 1 748 . 1 1 61 61 TRP CA C 13 56.133 0.172 . . . . . A 61 TRP CA . 19755 1 749 . 1 1 61 61 TRP CB C 13 30.866 0.101 . . . . . A 61 TRP CB . 19755 1 750 . 1 1 61 61 TRP CD1 C 13 126.262 0.078 . . . . . A 61 TRP CD1 . 19755 1 751 . 1 1 61 61 TRP CE3 C 13 121.287 0.039 . . . . . A 61 TRP CE3 . 19755 1 752 . 1 1 61 61 TRP CZ2 C 13 114.493 0.000 . . . . . A 61 TRP CZ2 . 19755 1 753 . 1 1 61 61 TRP CZ3 C 13 119.860 0.000 . . . . . A 61 TRP CZ3 . 19755 1 754 . 1 1 61 61 TRP N N 15 124.050 0.042 . . . . . A 61 TRP N . 19755 1 755 . 1 1 61 61 TRP NE1 N 15 128.938 0.050 . . . . . A 61 TRP NE1 . 19755 1 756 . 1 1 62 62 ILE H H 1 7.863 0.023 . . . . . A 62 ILE H . 19755 1 757 . 1 1 62 62 ILE HB H 1 1.431 0.013 . . . . . A 62 ILE HB . 19755 1 758 . 1 1 62 62 ILE HG21 H 1 0.470 0.006 . . . . . A 62 ILE HG21 . 19755 1 759 . 1 1 62 62 ILE HG22 H 1 0.470 0.006 . . . . . A 62 ILE HG22 . 19755 1 760 . 1 1 62 62 ILE HG23 H 1 0.470 0.006 . . . . . A 62 ILE HG23 . 19755 1 761 . 1 1 62 62 ILE HD11 H 1 0.505 0.011 . . . . . A 62 ILE HD11 . 19755 1 762 . 1 1 62 62 ILE HD12 H 1 0.505 0.011 . . . . . A 62 ILE HD12 . 19755 1 763 . 1 1 62 62 ILE HD13 H 1 0.505 0.011 . . . . . A 62 ILE HD13 . 19755 1 764 . 1 1 62 62 ILE C C 13 174.576 0.000 . . . . . A 62 ILE C . 19755 1 765 . 1 1 62 62 ILE CA C 13 60.556 0.174 . . . . . A 62 ILE CA . 19755 1 766 . 1 1 62 62 ILE CB C 13 40.639 0.019 . . . . . A 62 ILE CB . 19755 1 767 . 1 1 62 62 ILE CG1 C 13 27.566 0.061 . . . . . A 62 ILE CG1 . 19755 1 768 . 1 1 62 62 ILE CG2 C 13 17.218 0.096 . . . . . A 62 ILE CG2 . 19755 1 769 . 1 1 62 62 ILE CD1 C 13 13.495 0.137 . . . . . A 62 ILE CD1 . 19755 1 770 . 1 1 62 62 ILE N N 15 121.315 0.094 . . . . . A 62 ILE N . 19755 1 771 . 1 1 63 63 GLN H H 1 8.881 0.006 . . . . . A 63 GLN H . 19755 1 772 . 1 1 63 63 GLN HA H 1 4.534 0.004 . . . . . A 63 GLN HA . 19755 1 773 . 1 1 63 63 GLN HB3 H 1 1.950 0.000 . . . . . A 63 GLN HB3 . 19755 1 774 . 1 1 63 63 GLN HG2 H 1 1.963 0.006 . . . . . A 63 GLN HG2 . 19755 1 775 . 1 1 63 63 GLN HG3 H 1 2.033 0.001 . . . . . A 63 GLN HG3 . 19755 1 776 . 1 1 63 63 GLN HE21 H 1 6.670 0.003 . . . . . A 63 GLN HE21 . 19755 1 777 . 1 1 63 63 GLN HE22 H 1 7.222 0.007 . . . . . A 63 GLN HE22 . 19755 1 778 . 1 1 63 63 GLN C C 13 173.768 0.055 . . . . . A 63 GLN C . 19755 1 779 . 1 1 63 63 GLN CA C 13 54.409 0.075 . . . . . A 63 GLN CA . 19755 1 780 . 1 1 63 63 GLN CB C 13 30.309 0.019 . . . . . A 63 GLN CB . 19755 1 781 . 1 1 63 63 GLN CG C 13 34.433 0.042 . . . . . A 63 GLN CG . 19755 1 782 . 1 1 63 63 GLN N N 15 127.300 0.056 . . . . . A 63 GLN N . 19755 1 783 . 1 1 63 63 GLN NE2 N 15 111.676 0.011 . . . . . A 63 GLN NE2 . 19755 1 784 . 1 1 64 64 VAL H H 1 8.330 0.008 . . . . . A 64 VAL H . 19755 1 785 . 1 1 64 64 VAL HA H 1 4.677 0.008 . . . . . A 64 VAL HA . 19755 1 786 . 1 1 64 64 VAL HB H 1 1.669 0.005 . . . . . A 64 VAL HB . 19755 1 787 . 1 1 64 64 VAL HG11 H 1 0.537 0.004 . . . . . A 64 VAL HG11 . 19755 1 788 . 1 1 64 64 VAL HG12 H 1 0.537 0.004 . . . . . A 64 VAL HG12 . 19755 1 789 . 1 1 64 64 VAL HG13 H 1 0.537 0.004 . . . . . A 64 VAL HG13 . 19755 1 790 . 1 1 64 64 VAL HG21 H 1 0.640 0.005 . . . . . A 64 VAL HG21 . 19755 1 791 . 1 1 64 64 VAL HG22 H 1 0.640 0.005 . . . . . A 64 VAL HG22 . 19755 1 792 . 1 1 64 64 VAL HG23 H 1 0.640 0.005 . . . . . A 64 VAL HG23 . 19755 1 793 . 1 1 64 64 VAL C C 13 174.737 0.017 . . . . . A 64 VAL C . 19755 1 794 . 1 1 64 64 VAL CA C 13 60.965 0.100 . . . . . A 64 VAL CA . 19755 1 795 . 1 1 64 64 VAL CB C 13 34.420 0.120 . . . . . A 64 VAL CB . 19755 1 796 . 1 1 64 64 VAL CG1 C 13 22.860 0.075 . . . . . A 64 VAL CG1 . 19755 1 797 . 1 1 64 64 VAL CG2 C 13 21.124 0.078 . . . . . A 64 VAL CG2 . 19755 1 798 . 1 1 64 64 VAL N N 15 123.414 0.050 . . . . . A 64 VAL N . 19755 1 799 . 1 1 65 65 GLN H H 1 8.938 0.005 . . . . . A 65 GLN H . 19755 1 800 . 1 1 65 65 GLN HA H 1 4.751 0.000 . . . . . A 65 GLN HA . 19755 1 801 . 1 1 65 65 GLN HB2 H 1 2.033 0.002 . . . . . A 65 GLN HB2 . 19755 1 802 . 1 1 65 65 GLN HB3 H 1 1.971 0.003 . . . . . A 65 GLN HB3 . 19755 1 803 . 1 1 65 65 GLN HG3 H 1 2.240 0.007 . . . . . A 65 GLN HG3 . 19755 1 804 . 1 1 65 65 GLN HE21 H 1 7.472 0.002 . . . . . A 65 GLN HE21 . 19755 1 805 . 1 1 65 65 GLN HE22 H 1 6.669 0.003 . . . . . A 65 GLN HE22 . 19755 1 806 . 1 1 65 65 GLN C C 13 174.043 0.101 . . . . . A 65 GLN C . 19755 1 807 . 1 1 65 65 GLN CA C 13 54.421 0.029 . . . . . A 65 GLN CA . 19755 1 808 . 1 1 65 65 GLN CB C 13 31.956 0.078 . . . . . A 65 GLN CB . 19755 1 809 . 1 1 65 65 GLN CG C 13 33.986 0.055 . . . . . A 65 GLN CG . 19755 1 810 . 1 1 65 65 GLN N N 15 125.152 0.024 . . . . . A 65 GLN N . 19755 1 811 . 1 1 65 65 GLN NE2 N 15 111.518 0.055 . . . . . A 65 GLN NE2 . 19755 1 812 . 1 1 66 66 ALA H H 1 8.808 0.004 . . . . . A 66 ALA H . 19755 1 813 . 1 1 66 66 ALA HA H 1 4.636 0.003 . . . . . A 66 ALA HA . 19755 1 814 . 1 1 66 66 ALA HB1 H 1 1.229 0.003 . . . . . A 66 ALA HB1 . 19755 1 815 . 1 1 66 66 ALA HB2 H 1 1.229 0.003 . . . . . A 66 ALA HB2 . 19755 1 816 . 1 1 66 66 ALA HB3 H 1 1.229 0.003 . . . . . A 66 ALA HB3 . 19755 1 817 . 1 1 66 66 ALA C C 13 176.740 0.076 . . . . . A 66 ALA C . 19755 1 818 . 1 1 66 66 ALA CA C 13 52.801 0.100 . . . . . A 66 ALA CA . 19755 1 819 . 1 1 66 66 ALA CB C 13 19.346 0.088 . . . . . A 66 ALA CB . 19755 1 820 . 1 1 66 66 ALA N N 15 127.534 0.034 . . . . . A 66 ALA N . 19755 1 821 . 1 1 67 67 LEU H H 1 8.541 0.004 . . . . . A 67 LEU H . 19755 1 822 . 1 1 67 67 LEU HA H 1 4.785 0.000 . . . . . A 67 LEU HA . 19755 1 823 . 1 1 67 67 LEU HB2 H 1 1.671 0.003 . . . . . A 67 LEU HB2 . 19755 1 824 . 1 1 67 67 LEU HB3 H 1 1.820 0.005 . . . . . A 67 LEU HB3 . 19755 1 825 . 1 1 67 67 LEU HG H 1 1.557 0.004 . . . . . A 67 LEU HG . 19755 1 826 . 1 1 67 67 LEU HD11 H 1 0.800 0.009 . . . . . A 67 LEU HD11 . 19755 1 827 . 1 1 67 67 LEU HD12 H 1 0.800 0.009 . . . . . A 67 LEU HD12 . 19755 1 828 . 1 1 67 67 LEU HD13 H 1 0.800 0.009 . . . . . A 67 LEU HD13 . 19755 1 829 . 1 1 67 67 LEU HD21 H 1 0.826 0.004 . . . . . A 67 LEU HD21 . 19755 1 830 . 1 1 67 67 LEU HD22 H 1 0.826 0.004 . . . . . A 67 LEU HD22 . 19755 1 831 . 1 1 67 67 LEU HD23 H 1 0.826 0.004 . . . . . A 67 LEU HD23 . 19755 1 832 . 1 1 67 67 LEU C C 13 177.190 0.093 . . . . . A 67 LEU C . 19755 1 833 . 1 1 67 67 LEU CA C 13 53.585 0.089 . . . . . A 67 LEU CA . 19755 1 834 . 1 1 67 67 LEU CB C 13 43.846 0.079 . . . . . A 67 LEU CB . 19755 1 835 . 1 1 67 67 LEU CG C 13 27.909 0.107 . . . . . A 67 LEU CG . 19755 1 836 . 1 1 67 67 LEU CD1 C 13 23.505 0.073 . . . . . A 67 LEU CD1 . 19755 1 837 . 1 1 67 67 LEU CD2 C 13 25.972 0.067 . . . . . A 67 LEU CD2 . 19755 1 838 . 1 1 67 67 LEU N N 15 124.609 0.024 . . . . . A 67 LEU N . 19755 1 839 . 1 1 68 68 ASP H H 1 8.539 0.010 . . . . . A 68 ASP H . 19755 1 840 . 1 1 68 68 ASP HA H 1 4.430 0.001 . . . . . A 68 ASP HA . 19755 1 841 . 1 1 68 68 ASP HB2 H 1 2.718 0.006 . . . . . A 68 ASP HB2 . 19755 1 842 . 1 1 68 68 ASP C C 13 177.319 0.000 . . . . . A 68 ASP C . 19755 1 843 . 1 1 68 68 ASP CA C 13 58.090 0.036 . . . . . A 68 ASP CA . 19755 1 844 . 1 1 68 68 ASP CB C 13 40.915 0.061 . . . . . A 68 ASP CB . 19755 1 845 . 1 1 68 68 ASP N N 15 120.713 0.065 . . . . . A 68 ASP N . 19755 1 846 . 1 1 69 69 LYS HA H 1 4.602 0.003 . . . . . A 69 LYS HA . 19755 1 847 . 1 1 69 69 LYS HB2 H 1 2.119 0.005 . . . . . A 69 LYS HB2 . 19755 1 848 . 1 1 69 69 LYS HB3 H 1 1.718 0.005 . . . . . A 69 LYS HB3 . 19755 1 849 . 1 1 69 69 LYS HG2 H 1 1.442 0.001 . . . . . A 69 LYS HG2 . 19755 1 850 . 1 1 69 69 LYS HG3 H 1 1.401 0.003 . . . . . A 69 LYS HG3 . 19755 1 851 . 1 1 69 69 LYS HD2 H 1 1.654 0.001 . . . . . A 69 LYS HD2 . 19755 1 852 . 1 1 69 69 LYS HD3 H 1 1.734 0.009 . . . . . A 69 LYS HD3 . 19755 1 853 . 1 1 69 69 LYS HE3 H 1 3.005 0.001 . . . . . A 69 LYS HE3 . 19755 1 854 . 1 1 69 69 LYS C C 13 176.282 0.000 . . . . . A 69 LYS C . 19755 1 855 . 1 1 69 69 LYS CA C 13 55.817 0.087 . . . . . A 69 LYS CA . 19755 1 856 . 1 1 69 69 LYS CB C 13 33.563 0.103 . . . . . A 69 LYS CB . 19755 1 857 . 1 1 69 69 LYS CG C 13 25.384 0.028 . . . . . A 69 LYS CG . 19755 1 858 . 1 1 69 69 LYS CD C 13 29.416 0.051 . . . . . A 69 LYS CD . 19755 1 859 . 1 1 69 69 LYS CE C 13 42.432 0.008 . . . . . A 69 LYS CE . 19755 1 860 . 1 1 70 70 GLY H H 1 6.977 0.004 . . . . . A 70 GLY H . 19755 1 861 . 1 1 70 70 GLY HA2 H 1 2.152 0.004 . . . . . A 70 GLY HA2 . 19755 1 862 . 1 1 70 70 GLY HA3 H 1 3.793 0.005 . . . . . A 70 GLY HA3 . 19755 1 863 . 1 1 70 70 GLY C C 13 169.572 0.047 . . . . . A 70 GLY C . 19755 1 864 . 1 1 70 70 GLY CA C 13 45.365 0.070 . . . . . A 70 GLY CA . 19755 1 865 . 1 1 70 70 GLY N N 15 110.325 0.046 . . . . . A 70 GLY N . 19755 1 866 . 1 1 71 71 LEU H H 1 8.032 0.014 . . . . . A 71 LEU H . 19755 1 867 . 1 1 71 71 LEU HA H 1 5.016 0.002 . . . . . A 71 LEU HA . 19755 1 868 . 1 1 71 71 LEU HB2 H 1 1.152 0.007 . . . . . A 71 LEU HB2 . 19755 1 869 . 1 1 71 71 LEU HB3 H 1 1.298 0.003 . . . . . A 71 LEU HB3 . 19755 1 870 . 1 1 71 71 LEU HG H 1 1.432 0.004 . . . . . A 71 LEU HG . 19755 1 871 . 1 1 71 71 LEU HD11 H 1 0.825 0.003 . . . . . A 71 LEU HD11 . 19755 1 872 . 1 1 71 71 LEU HD12 H 1 0.825 0.003 . . . . . A 71 LEU HD12 . 19755 1 873 . 1 1 71 71 LEU HD13 H 1 0.825 0.003 . . . . . A 71 LEU HD13 . 19755 1 874 . 1 1 71 71 LEU HD21 H 1 0.702 0.003 . . . . . A 71 LEU HD21 . 19755 1 875 . 1 1 71 71 LEU HD22 H 1 0.702 0.003 . . . . . A 71 LEU HD22 . 19755 1 876 . 1 1 71 71 LEU HD23 H 1 0.702 0.003 . . . . . A 71 LEU HD23 . 19755 1 877 . 1 1 71 71 LEU C C 13 174.299 0.164 . . . . . A 71 LEU C . 19755 1 878 . 1 1 71 71 LEU CA C 13 53.057 0.065 . . . . . A 71 LEU CA . 19755 1 879 . 1 1 71 71 LEU CB C 13 45.892 0.086 . . . . . A 71 LEU CB . 19755 1 880 . 1 1 71 71 LEU CG C 13 26.497 0.004 . . . . . A 71 LEU CG . 19755 1 881 . 1 1 71 71 LEU CD1 C 13 26.004 0.061 . . . . . A 71 LEU CD1 . 19755 1 882 . 1 1 71 71 LEU CD2 C 13 26.055 0.043 . . . . . A 71 LEU CD2 . 19755 1 883 . 1 1 71 71 LEU N N 15 116.716 0.052 . . . . . A 71 LEU N . 19755 1 884 . 1 1 72 72 GLU H H 1 8.739 0.005 . . . . . A 72 GLU H . 19755 1 885 . 1 1 72 72 GLU HA H 1 4.966 0.004 . . . . . A 72 GLU HA . 19755 1 886 . 1 1 72 72 GLU HB2 H 1 1.901 0.006 . . . . . A 72 GLU HB2 . 19755 1 887 . 1 1 72 72 GLU HB3 H 1 1.865 0.006 . . . . . A 72 GLU HB3 . 19755 1 888 . 1 1 72 72 GLU HG2 H 1 1.886 0.005 . . . . . A 72 GLU HG2 . 19755 1 889 . 1 1 72 72 GLU HG3 H 1 2.054 0.008 . . . . . A 72 GLU HG3 . 19755 1 890 . 1 1 72 72 GLU C C 13 174.588 0.047 . . . . . A 72 GLU C . 19755 1 891 . 1 1 72 72 GLU CA C 13 55.034 0.065 . . . . . A 72 GLU CA . 19755 1 892 . 1 1 72 72 GLU CB C 13 33.392 0.068 . . . . . A 72 GLU CB . 19755 1 893 . 1 1 72 72 GLU CG C 13 38.159 0.068 . . . . . A 72 GLU CG . 19755 1 894 . 1 1 72 72 GLU N N 15 120.507 0.035 . . . . . A 72 GLU N . 19755 1 895 . 1 1 73 73 ILE H H 1 8.755 0.006 . . . . . A 73 ILE H . 19755 1 896 . 1 1 73 73 ILE HA H 1 4.526 0.003 . . . . . A 73 ILE HA . 19755 1 897 . 1 1 73 73 ILE HG12 H 1 0.601 0.001 . . . . . A 73 ILE HG12 . 19755 1 898 . 1 1 73 73 ILE HG13 H 1 1.056 0.003 . . . . . A 73 ILE HG13 . 19755 1 899 . 1 1 73 73 ILE HG21 H 1 0.363 0.003 . . . . . A 73 ILE HG21 . 19755 1 900 . 1 1 73 73 ILE HG22 H 1 0.363 0.003 . . . . . A 73 ILE HG22 . 19755 1 901 . 1 1 73 73 ILE HG23 H 1 0.363 0.003 . . . . . A 73 ILE HG23 . 19755 1 902 . 1 1 73 73 ILE HD11 H 1 0.408 0.003 . . . . . A 73 ILE HD11 . 19755 1 903 . 1 1 73 73 ILE HD12 H 1 0.408 0.003 . . . . . A 73 ILE HD12 . 19755 1 904 . 1 1 73 73 ILE HD13 H 1 0.408 0.003 . . . . . A 73 ILE HD13 . 19755 1 905 . 1 1 73 73 ILE C C 13 173.786 0.000 . . . . . A 73 ILE C . 19755 1 906 . 1 1 73 73 ILE CA C 13 60.428 0.053 . . . . . A 73 ILE CA . 19755 1 907 . 1 1 73 73 ILE CB C 13 39.105 0.110 . . . . . A 73 ILE CB . 19755 1 908 . 1 1 73 73 ILE CG1 C 13 28.419 0.029 . . . . . A 73 ILE CG1 . 19755 1 909 . 1 1 73 73 ILE CG2 C 13 18.300 0.043 . . . . . A 73 ILE CG2 . 19755 1 910 . 1 1 73 73 ILE CD1 C 13 13.931 0.026 . . . . . A 73 ILE CD1 . 19755 1 911 . 1 1 73 73 ILE N N 15 127.226 0.035 . . . . . A 73 ILE N . 19755 1 912 . 1 1 74 74 ILE H H 1 8.691 0.005 . . . . . A 74 ILE H . 19755 1 913 . 1 1 74 74 ILE HA H 1 4.666 0.001 . . . . . A 74 ILE HA . 19755 1 914 . 1 1 74 74 ILE HB H 1 1.532 0.003 . . . . . A 74 ILE HB . 19755 1 915 . 1 1 74 74 ILE HG12 H 1 0.732 0.007 . . . . . A 74 ILE HG12 . 19755 1 916 . 1 1 74 74 ILE HG13 H 1 1.433 0.006 . . . . . A 74 ILE HG13 . 19755 1 917 . 1 1 74 74 ILE HG21 H 1 0.687 0.008 . . . . . A 74 ILE HG21 . 19755 1 918 . 1 1 74 74 ILE HG22 H 1 0.687 0.008 . . . . . A 74 ILE HG22 . 19755 1 919 . 1 1 74 74 ILE HG23 H 1 0.687 0.008 . . . . . A 74 ILE HG23 . 19755 1 920 . 1 1 74 74 ILE HD11 H 1 0.694 0.006 . . . . . A 74 ILE HD11 . 19755 1 921 . 1 1 74 74 ILE HD12 H 1 0.694 0.006 . . . . . A 74 ILE HD12 . 19755 1 922 . 1 1 74 74 ILE HD13 H 1 0.694 0.006 . . . . . A 74 ILE HD13 . 19755 1 923 . 1 1 74 74 ILE C C 13 175.304 0.000 . . . . . A 74 ILE C . 19755 1 924 . 1 1 74 74 ILE CA C 13 60.808 0.107 . . . . . A 74 ILE CA . 19755 1 925 . 1 1 74 74 ILE CB C 13 40.432 0.062 . . . . . A 74 ILE CB . 19755 1 926 . 1 1 74 74 ILE CG1 C 13 28.450 0.051 . . . . . A 74 ILE CG1 . 19755 1 927 . 1 1 74 74 ILE CG2 C 13 18.337 0.053 . . . . . A 74 ILE CG2 . 19755 1 928 . 1 1 74 74 ILE CD1 C 13 14.032 0.048 . . . . . A 74 ILE CD1 . 19755 1 929 . 1 1 74 74 ILE N N 15 126.107 0.058 . . . . . A 74 ILE N . 19755 1 930 . 1 1 75 75 VAL H H 1 9.178 0.006 . . . . . A 75 VAL H . 19755 1 931 . 1 1 75 75 VAL HA H 1 4.605 0.003 . . . . . A 75 VAL HA . 19755 1 932 . 1 1 75 75 VAL HB H 1 1.486 0.012 . . . . . A 75 VAL HB . 19755 1 933 . 1 1 75 75 VAL HG11 H 1 0.349 0.001 . . . . . A 75 VAL HG11 . 19755 1 934 . 1 1 75 75 VAL HG12 H 1 0.349 0.001 . . . . . A 75 VAL HG12 . 19755 1 935 . 1 1 75 75 VAL HG13 H 1 0.349 0.001 . . . . . A 75 VAL HG13 . 19755 1 936 . 1 1 75 75 VAL HG21 H 1 0.125 0.005 . . . . . A 75 VAL HG21 . 19755 1 937 . 1 1 75 75 VAL HG22 H 1 0.125 0.005 . . . . . A 75 VAL HG22 . 19755 1 938 . 1 1 75 75 VAL HG23 H 1 0.125 0.005 . . . . . A 75 VAL HG23 . 19755 1 939 . 1 1 75 75 VAL C C 13 174.187 0.000 . . . . . A 75 VAL C . 19755 1 940 . 1 1 75 75 VAL CA C 13 61.420 0.033 . . . . . A 75 VAL CA . 19755 1 941 . 1 1 75 75 VAL CB C 13 33.645 0.076 . . . . . A 75 VAL CB . 19755 1 942 . 1 1 75 75 VAL CG1 C 13 21.079 0.033 . . . . . A 75 VAL CG1 . 19755 1 943 . 1 1 75 75 VAL CG2 C 13 21.921 0.053 . . . . . A 75 VAL CG2 . 19755 1 944 . 1 1 75 75 VAL N N 15 128.967 0.050 . . . . . A 75 VAL N . 19755 1 945 . 1 1 76 76 THR HA H 1 5.743 0.007 . . . . . A 76 THR HA . 19755 1 946 . 1 1 76 76 THR HB H 1 4.063 0.005 . . . . . A 76 THR HB . 19755 1 947 . 1 1 76 76 THR HG21 H 1 1.313 0.003 . . . . . A 76 THR HG21 . 19755 1 948 . 1 1 76 76 THR HG22 H 1 1.313 0.003 . . . . . A 76 THR HG22 . 19755 1 949 . 1 1 76 76 THR HG23 H 1 1.313 0.003 . . . . . A 76 THR HG23 . 19755 1 950 . 1 1 76 76 THR CA C 13 59.957 0.061 . . . . . A 76 THR CA . 19755 1 951 . 1 1 76 76 THR CB C 13 71.833 0.099 . . . . . A 76 THR CB . 19755 1 952 . 1 1 76 76 THR CG2 C 13 20.921 0.062 . . . . . A 76 THR CG2 . 19755 1 953 . 1 1 77 77 LYS H H 1 8.688 0.005 . . . . . A 77 LYS H . 19755 1 954 . 1 1 77 77 LYS HA H 1 4.588 0.000 . . . . . A 77 LYS HA . 19755 1 955 . 1 1 77 77 LYS HB2 H 1 1.813 0.014 . . . . . A 77 LYS HB2 . 19755 1 956 . 1 1 77 77 LYS HB3 H 1 1.855 0.000 . . . . . A 77 LYS HB3 . 19755 1 957 . 1 1 77 77 LYS HG2 H 1 1.510 0.004 . . . . . A 77 LYS HG2 . 19755 1 958 . 1 1 77 77 LYS HG3 H 1 1.444 0.003 . . . . . A 77 LYS HG3 . 19755 1 959 . 1 1 77 77 LYS HD3 H 1 1.510 0.001 . . . . . A 77 LYS HD3 . 19755 1 960 . 1 1 77 77 LYS HE2 H 1 2.788 0.001 . . . . . A 77 LYS HE2 . 19755 1 961 . 1 1 77 77 LYS HE3 H 1 2.726 0.001 . . . . . A 77 LYS HE3 . 19755 1 962 . 1 1 77 77 LYS CA C 13 55.751 0.053 . . . . . A 77 LYS CA . 19755 1 963 . 1 1 77 77 LYS CB C 13 33.947 0.010 . . . . . A 77 LYS CB . 19755 1 964 . 1 1 77 77 LYS CG C 13 24.929 0.019 . . . . . A 77 LYS CG . 19755 1 965 . 1 1 77 77 LYS CD C 13 29.953 0.029 . . . . . A 77 LYS CD . 19755 1 966 . 1 1 77 77 LYS CE C 13 42.236 0.027 . . . . . A 77 LYS CE . 19755 1 967 . 1 1 77 77 LYS N N 15 124.204 0.063 . . . . . A 77 LYS N . 19755 1 968 . 1 1 78 78 ALA H H 1 8.137 0.004 . . . . . A 78 ALA H . 19755 1 969 . 1 1 78 78 ALA HA H 1 3.976 0.008 . . . . . A 78 ALA HA . 19755 1 970 . 1 1 78 78 ALA HB1 H 1 1.029 0.007 . . . . . A 78 ALA HB1 . 19755 1 971 . 1 1 78 78 ALA HB2 H 1 1.029 0.007 . . . . . A 78 ALA HB2 . 19755 1 972 . 1 1 78 78 ALA HB3 H 1 1.029 0.007 . . . . . A 78 ALA HB3 . 19755 1 973 . 1 1 78 78 ALA C C 13 176.776 0.000 . . . . . A 78 ALA C . 19755 1 974 . 1 1 78 78 ALA CA C 13 52.431 0.084 . . . . . A 78 ALA CA . 19755 1 975 . 1 1 78 78 ALA CB C 13 19.542 0.104 . . . . . A 78 ALA CB . 19755 1 976 . 1 1 78 78 ALA N N 15 125.102 0.082 . . . . . A 78 ALA N . 19755 1 977 . 1 1 79 79 GLN HA H 1 4.085 0.013 . . . . . A 79 GLN HA . 19755 1 978 . 1 1 79 79 GLN HB3 H 1 1.888 0.009 . . . . . A 79 GLN HB3 . 19755 1 979 . 1 1 79 79 GLN HG3 H 1 2.085 0.010 . . . . . A 79 GLN HG3 . 19755 1 980 . 1 1 79 79 GLN HE21 H 1 6.703 0.004 . . . . . A 79 GLN HE21 . 19755 1 981 . 1 1 79 79 GLN HE22 H 1 7.310 0.008 . . . . . A 79 GLN HE22 . 19755 1 982 . 1 1 79 79 GLN CA C 13 55.540 0.004 . . . . . A 79 GLN CA . 19755 1 983 . 1 1 79 79 GLN CB C 13 29.617 0.235 . . . . . A 79 GLN CB . 19755 1 984 . 1 1 79 79 GLN CG C 13 33.823 0.141 . . . . . A 79 GLN CG . 19755 1 985 . 1 1 79 79 GLN NE2 N 15 112.181 0.017 . . . . . A 79 GLN NE2 . 19755 1 986 . 1 1 80 80 LEU HA H 1 4.295 0.001 . . . . . A 80 LEU HA . 19755 1 987 . 1 1 80 80 LEU HB3 H 1 1.535 0.004 . . . . . A 80 LEU HB3 . 19755 1 988 . 1 1 80 80 LEU CA C 13 55.034 0.034 . . . . . A 80 LEU CA . 19755 1 989 . 1 1 80 80 LEU CB C 13 42.320 0.054 . . . . . A 80 LEU CB . 19755 1 990 . 1 1 81 81 SER H H 1 8.214 0.006 . . . . . A 81 SER H . 19755 1 991 . 1 1 81 81 SER HA H 1 4.291 0.005 . . . . . A 81 SER HA . 19755 1 992 . 1 1 81 81 SER HB2 H 1 3.736 0.007 . . . . . A 81 SER HB2 . 19755 1 993 . 1 1 81 81 SER HB3 H 1 3.772 0.004 . . . . . A 81 SER HB3 . 19755 1 994 . 1 1 81 81 SER C C 13 174.770 0.027 . . . . . A 81 SER C . 19755 1 995 . 1 1 81 81 SER CA C 13 58.674 0.143 . . . . . A 81 SER CA . 19755 1 996 . 1 1 81 81 SER CB C 13 63.931 0.042 . . . . . A 81 SER CB . 19755 1 997 . 1 1 81 81 SER N N 15 116.580 0.032 . . . . . A 81 SER N . 19755 1 998 . 1 1 82 82 LYS H H 1 8.255 0.007 . . . . . A 82 LYS H . 19755 1 999 . 1 1 82 82 LYS HA H 1 4.283 0.027 . . . . . A 82 LYS HA . 19755 1 1000 . 1 1 82 82 LYS HB2 H 1 1.744 0.000 . . . . . A 82 LYS HB2 . 19755 1 1001 . 1 1 82 82 LYS HB3 H 1 1.810 0.000 . . . . . A 82 LYS HB3 . 19755 1 1002 . 1 1 82 82 LYS HG3 H 1 1.353 0.000 . . . . . A 82 LYS HG3 . 19755 1 1003 . 1 1 82 82 LYS HD3 H 1 1.624 0.000 . . . . . A 82 LYS HD3 . 19755 1 1004 . 1 1 82 82 LYS HE3 H 1 2.949 0.000 . . . . . A 82 LYS HE3 . 19755 1 1005 . 1 1 82 82 LYS C C 13 176.222 0.160 . . . . . A 82 LYS C . 19755 1 1006 . 1 1 82 82 LYS CA C 13 56.542 0.177 . . . . . A 82 LYS CA . 19755 1 1007 . 1 1 82 82 LYS CB C 13 32.941 0.037 . . . . . A 82 LYS CB . 19755 1 1008 . 1 1 82 82 LYS CG C 13 24.866 0.000 . . . . . A 82 LYS CG . 19755 1 1009 . 1 1 82 82 LYS CD C 13 29.305 0.000 . . . . . A 82 LYS CD . 19755 1 1010 . 1 1 82 82 LYS CE C 13 42.447 0.000 . . . . . A 82 LYS CE . 19755 1 1011 . 1 1 82 82 LYS N N 15 122.968 0.076 . . . . . A 82 LYS N . 19755 1 1012 . 1 1 83 83 ASP H H 1 8.158 0.009 . . . . . A 83 ASP H . 19755 1 1013 . 1 1 83 83 ASP HA H 1 4.546 0.007 . . . . . A 83 ASP HA . 19755 1 1014 . 1 1 83 83 ASP HB2 H 1 2.523 0.003 . . . . . A 83 ASP HB2 . 19755 1 1015 . 1 1 83 83 ASP HB3 H 1 2.703 0.006 . . . . . A 83 ASP HB3 . 19755 1 1016 . 1 1 83 83 ASP C C 13 176.527 0.016 . . . . . A 83 ASP C . 19755 1 1017 . 1 1 83 83 ASP CA C 13 54.864 0.103 . . . . . A 83 ASP CA . 19755 1 1018 . 1 1 83 83 ASP CB C 13 41.156 0.076 . . . . . A 83 ASP CB . 19755 1 1019 . 1 1 83 83 ASP N N 15 120.305 0.036 . . . . . A 83 ASP N . 19755 1 1020 . 1 1 84 84 LEU H H 1 7.955 0.010 . . . . . A 84 LEU H . 19755 1 1021 . 1 1 84 84 LEU HA H 1 4.183 0.002 . . . . . A 84 LEU HA . 19755 1 1022 . 1 1 84 84 LEU HB2 H 1 1.635 0.011 . . . . . A 84 LEU HB2 . 19755 1 1023 . 1 1 84 84 LEU HB3 H 1 1.542 0.006 . . . . . A 84 LEU HB3 . 19755 1 1024 . 1 1 84 84 LEU HG H 1 1.590 0.005 . . . . . A 84 LEU HG . 19755 1 1025 . 1 1 84 84 LEU HD11 H 1 0.867 0.009 . . . . . A 84 LEU HD11 . 19755 1 1026 . 1 1 84 84 LEU HD12 H 1 0.867 0.009 . . . . . A 84 LEU HD12 . 19755 1 1027 . 1 1 84 84 LEU HD13 H 1 0.867 0.009 . . . . . A 84 LEU HD13 . 19755 1 1028 . 1 1 84 84 LEU HD21 H 1 0.811 0.005 . . . . . A 84 LEU HD21 . 19755 1 1029 . 1 1 84 84 LEU HD22 H 1 0.811 0.005 . . . . . A 84 LEU HD22 . 19755 1 1030 . 1 1 84 84 LEU HD23 H 1 0.811 0.005 . . . . . A 84 LEU HD23 . 19755 1 1031 . 1 1 84 84 LEU C C 13 177.585 0.017 . . . . . A 84 LEU C . 19755 1 1032 . 1 1 84 84 LEU CA C 13 56.042 0.104 . . . . . A 84 LEU CA . 19755 1 1033 . 1 1 84 84 LEU CB C 13 42.379 0.071 . . . . . A 84 LEU CB . 19755 1 1034 . 1 1 84 84 LEU CG C 13 27.357 0.133 . . . . . A 84 LEU CG . 19755 1 1035 . 1 1 84 84 LEU CD1 C 13 25.302 0.107 . . . . . A 84 LEU CD1 . 19755 1 1036 . 1 1 84 84 LEU CD2 C 13 23.566 0.034 . . . . . A 84 LEU CD2 . 19755 1 1037 . 1 1 84 84 LEU N N 15 121.499 0.055 . . . . . A 84 LEU N . 19755 1 1038 . 1 1 85 85 ASP H H 1 8.207 0.007 . . . . . A 85 ASP H . 19755 1 1039 . 1 1 85 85 ASP HA H 1 4.500 0.003 . . . . . A 85 ASP HA . 19755 1 1040 . 1 1 85 85 ASP HB2 H 1 2.658 0.005 . . . . . A 85 ASP HB2 . 19755 1 1041 . 1 1 85 85 ASP HB3 H 1 2.634 0.004 . . . . . A 85 ASP HB3 . 19755 1 1042 . 1 1 85 85 ASP C C 13 176.445 0.007 . . . . . A 85 ASP C . 19755 1 1043 . 1 1 85 85 ASP CA C 13 55.143 0.088 . . . . . A 85 ASP CA . 19755 1 1044 . 1 1 85 85 ASP CB C 13 41.116 0.042 . . . . . A 85 ASP CB . 19755 1 1045 . 1 1 85 85 ASP N N 15 119.668 0.032 . . . . . A 85 ASP N . 19755 1 1046 . 1 1 86 86 LYS H H 1 7.843 0.007 . . . . . A 86 LYS H . 19755 1 1047 . 1 1 86 86 LYS HA H 1 4.253 0.006 . . . . . A 86 LYS HA . 19755 1 1048 . 1 1 86 86 LYS HB2 H 1 1.811 0.011 . . . . . A 86 LYS HB2 . 19755 1 1049 . 1 1 86 86 LYS HB3 H 1 1.713 0.006 . . . . . A 86 LYS HB3 . 19755 1 1050 . 1 1 86 86 LYS HG2 H 1 1.354 0.003 . . . . . A 86 LYS HG2 . 19755 1 1051 . 1 1 86 86 LYS HG3 H 1 1.396 0.000 . . . . . A 86 LYS HG3 . 19755 1 1052 . 1 1 86 86 LYS HD3 H 1 1.624 0.007 . . . . . A 86 LYS HD3 . 19755 1 1053 . 1 1 86 86 LYS HE3 H 1 2.947 0.002 . . . . . A 86 LYS HE3 . 19755 1 1054 . 1 1 86 86 LYS C C 13 176.336 0.125 . . . . . A 86 LYS C . 19755 1 1055 . 1 1 86 86 LYS CA C 13 56.519 0.098 . . . . . A 86 LYS CA . 19755 1 1056 . 1 1 86 86 LYS CB C 13 33.072 0.058 . . . . . A 86 LYS CB . 19755 1 1057 . 1 1 86 86 LYS CG C 13 24.912 0.033 . . . . . A 86 LYS CG . 19755 1 1058 . 1 1 86 86 LYS CD C 13 29.285 0.045 . . . . . A 86 LYS CD . 19755 1 1059 . 1 1 86 86 LYS CE C 13 42.351 0.027 . . . . . A 86 LYS CE . 19755 1 1060 . 1 1 86 86 LYS N N 15 119.760 0.036 . . . . . A 86 LYS N . 19755 1 1061 . 1 1 87 87 LEU H H 1 8.008 0.003 . . . . . A 87 LEU H . 19755 1 1062 . 1 1 87 87 LEU HA H 1 4.309 0.005 . . . . . A 87 LEU HA . 19755 1 1063 . 1 1 87 87 LEU HB2 H 1 1.540 0.007 . . . . . A 87 LEU HB2 . 19755 1 1064 . 1 1 87 87 LEU HB3 H 1 1.640 0.008 . . . . . A 87 LEU HB3 . 19755 1 1065 . 1 1 87 87 LEU HG H 1 1.571 0.005 . . . . . A 87 LEU HG . 19755 1 1066 . 1 1 87 87 LEU HD11 H 1 0.871 0.009 . . . . . A 87 LEU HD11 . 19755 1 1067 . 1 1 87 87 LEU HD12 H 1 0.871 0.009 . . . . . A 87 LEU HD12 . 19755 1 1068 . 1 1 87 87 LEU HD13 H 1 0.871 0.009 . . . . . A 87 LEU HD13 . 19755 1 1069 . 1 1 87 87 LEU HD21 H 1 0.796 0.013 . . . . . A 87 LEU HD21 . 19755 1 1070 . 1 1 87 87 LEU HD22 H 1 0.796 0.013 . . . . . A 87 LEU HD22 . 19755 1 1071 . 1 1 87 87 LEU HD23 H 1 0.796 0.013 . . . . . A 87 LEU HD23 . 19755 1 1072 . 1 1 87 87 LEU C C 13 176.952 0.083 . . . . . A 87 LEU C . 19755 1 1073 . 1 1 87 87 LEU CA C 13 55.369 0.061 . . . . . A 87 LEU CA . 19755 1 1074 . 1 1 87 87 LEU CB C 13 42.407 0.093 . . . . . A 87 LEU CB . 19755 1 1075 . 1 1 87 87 LEU CG C 13 27.261 0.100 . . . . . A 87 LEU CG . 19755 1 1076 . 1 1 87 87 LEU CD1 C 13 25.173 0.053 . . . . . A 87 LEU CD1 . 19755 1 1077 . 1 1 87 87 LEU CD2 C 13 23.575 0.038 . . . . . A 87 LEU CD2 . 19755 1 1078 . 1 1 87 87 LEU N N 15 122.086 0.059 . . . . . A 87 LEU N . 19755 1 1079 . 1 1 88 88 VAL H H 1 7.919 0.010 . . . . . A 88 VAL H . 19755 1 1080 . 1 1 88 88 VAL HA H 1 4.374 0.004 . . . . . A 88 VAL HA . 19755 1 1081 . 1 1 88 88 VAL HB H 1 2.047 0.006 . . . . . A 88 VAL HB . 19755 1 1082 . 1 1 88 88 VAL HG11 H 1 0.909 0.004 . . . . . A 88 VAL HG11 . 19755 1 1083 . 1 1 88 88 VAL HG12 H 1 0.909 0.004 . . . . . A 88 VAL HG12 . 19755 1 1084 . 1 1 88 88 VAL HG13 H 1 0.909 0.004 . . . . . A 88 VAL HG13 . 19755 1 1085 . 1 1 88 88 VAL HG21 H 1 0.934 0.011 . . . . . A 88 VAL HG21 . 19755 1 1086 . 1 1 88 88 VAL HG22 H 1 0.934 0.011 . . . . . A 88 VAL HG22 . 19755 1 1087 . 1 1 88 88 VAL HG23 H 1 0.934 0.011 . . . . . A 88 VAL HG23 . 19755 1 1088 . 1 1 88 88 VAL C C 13 174.225 0.000 . . . . . A 88 VAL C . 19755 1 1089 . 1 1 88 88 VAL CA C 13 59.992 0.062 . . . . . A 88 VAL CA . 19755 1 1090 . 1 1 88 88 VAL CB C 13 32.946 0.068 . . . . . A 88 VAL CB . 19755 1 1091 . 1 1 88 88 VAL CG1 C 13 20.750 0.055 . . . . . A 88 VAL CG1 . 19755 1 1092 . 1 1 88 88 VAL CG2 C 13 21.347 0.017 . . . . . A 88 VAL CG2 . 19755 1 1093 . 1 1 88 88 VAL N N 15 122.409 0.049 . . . . . A 88 VAL N . 19755 1 1094 . 1 1 89 89 PRO HA H 1 4.370 0.005 . . . . . A 89 PRO HA . 19755 1 1095 . 1 1 89 89 PRO HB2 H 1 1.914 0.005 . . . . . A 89 PRO HB2 . 19755 1 1096 . 1 1 89 89 PRO HB3 H 1 2.237 0.005 . . . . . A 89 PRO HB3 . 19755 1 1097 . 1 1 89 89 PRO HG2 H 1 1.919 0.004 . . . . . A 89 PRO HG2 . 19755 1 1098 . 1 1 89 89 PRO HG3 H 1 2.027 0.006 . . . . . A 89 PRO HG3 . 19755 1 1099 . 1 1 89 89 PRO HD2 H 1 3.651 0.005 . . . . . A 89 PRO HD2 . 19755 1 1100 . 1 1 89 89 PRO HD3 H 1 3.816 0.004 . . . . . A 89 PRO HD3 . 19755 1 1101 . 1 1 89 89 PRO C C 13 176.035 0.028 . . . . . A 89 PRO C . 19755 1 1102 . 1 1 89 89 PRO CA C 13 63.592 0.108 . . . . . A 89 PRO CA . 19755 1 1103 . 1 1 89 89 PRO CB C 13 32.218 0.118 . . . . . A 89 PRO CB . 19755 1 1104 . 1 1 89 89 PRO CG C 13 27.582 0.057 . . . . . A 89 PRO CG . 19755 1 1105 . 1 1 89 89 PRO CD C 13 51.318 0.053 . . . . . A 89 PRO CD . 19755 1 1106 . 1 1 90 90 ARG H H 1 7.908 0.004 . . . . . A 90 ARG H . 19755 1 1107 . 1 1 90 90 ARG HA H 1 4.138 0.004 . . . . . A 90 ARG HA . 19755 1 1108 . 1 1 90 90 ARG HB2 H 1 1.809 0.006 . . . . . A 90 ARG HB2 . 19755 1 1109 . 1 1 90 90 ARG HB3 H 1 1.671 0.003 . . . . . A 90 ARG HB3 . 19755 1 1110 . 1 1 90 90 ARG HG3 H 1 1.591 0.007 . . . . . A 90 ARG HG3 . 19755 1 1111 . 1 1 90 90 ARG HD2 H 1 3.140 0.005 . . . . . A 90 ARG HD2 . 19755 1 1112 . 1 1 90 90 ARG C C 13 181.180 0.000 . . . . . A 90 ARG C . 19755 1 1113 . 1 1 90 90 ARG CA C 13 57.485 0.065 . . . . . A 90 ARG CA . 19755 1 1114 . 1 1 90 90 ARG CB C 13 31.867 0.055 . . . . . A 90 ARG CB . 19755 1 1115 . 1 1 90 90 ARG CG C 13 27.426 0.033 . . . . . A 90 ARG CG . 19755 1 1116 . 1 1 90 90 ARG CD C 13 43.676 0.045 . . . . . A 90 ARG CD . 19755 1 1117 . 1 1 90 90 ARG N N 15 126.764 0.033 . . . . . A 90 ARG N . 19755 1 stop_ save_