data_34488 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34488 _Entry.Title ; Designing a Granulopoietic Protein by Topological Rescaffolding 2: Moevan ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-06 _Entry.Accession_date 2020-02-06 _Entry.Last_release_date 2020-03-11 _Entry.Original_release_date 2020-03-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34488 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. ElGamacy M. . . . 34488 2 M. Coles M. . . . 34488 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DE NOVO PROTEIN' . 34488 'GCSF analog' . 34488 'protein design' . 34488 'receptor modulator' . 34488 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34488 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 428 34488 '15N chemical shifts' 89 34488 '1H chemical shifts' 623 34488 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 . . 2020-03-16 . original BMRB . 34488 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6Y06 . 34488 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34488 _Citation.ID 1 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 30930065 _Citation.DOI 10.1016/j.str.2019.03.005 _Citation.Full_citation . _Citation.Title ; Mapping Local Conformational Landscapes of Proteins in Solution. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 5 _Citation.Journal_ASTM STRUE6 _Citation.Journal_ISSN 1878-4186 _Citation.Journal_CSD 2005 _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 853 _Citation.Page_last 865 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. ElGamacy M. . . . 34488 1 2 M. Riss M. . . . 34488 1 3 H. Zhu H. . . . 34488 1 4 V. Truffault V. . . . 34488 1 5 M. Coles M. . . . 34488 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 34488 _Citation.ID 2 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Designing of novel granulopoietic proteins by topological rescaffolding ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. ElGamacy M. . . . 34488 2 2 M. Coles M. . . . 34488 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34488 _Assembly.ID 1 _Assembly.Name Moevan _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34488 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34488 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MGSSHHHHHHSSGLVPRGSH MEAAAAARDESAYLKLQEQM RKIDADAAALSETRTIEELD TFKLDVADFVTTVVQLAEEL EHRFGRNRRGRTEIYKIVKE VDRKLLDLTDAVLAKEKKGE DILNMVAEIKALLINIYK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15645.854 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -20 MET . 34488 1 2 -19 GLY . 34488 1 3 -18 SER . 34488 1 4 -17 SER . 34488 1 5 -16 HIS . 34488 1 6 -15 HIS . 34488 1 7 -14 HIS . 34488 1 8 -13 HIS . 34488 1 9 -12 HIS . 34488 1 10 -11 HIS . 34488 1 11 -10 SER . 34488 1 12 -9 SER . 34488 1 13 -8 GLY . 34488 1 14 -7 LEU . 34488 1 15 -6 VAL . 34488 1 16 -5 PRO . 34488 1 17 -4 ARG . 34488 1 18 -3 GLY . 34488 1 19 -2 SER . 34488 1 20 -1 HIS . 34488 1 21 0 MET . 34488 1 22 1 GLU . 34488 1 23 2 ALA . 34488 1 24 3 ALA . 34488 1 25 4 ALA . 34488 1 26 5 ALA . 34488 1 27 6 ALA . 34488 1 28 7 ARG . 34488 1 29 8 ASP . 34488 1 30 9 GLU . 34488 1 31 10 SER . 34488 1 32 11 ALA . 34488 1 33 12 TYR . 34488 1 34 13 LEU . 34488 1 35 14 LYS . 34488 1 36 15 LEU . 34488 1 37 16 GLN . 34488 1 38 17 GLU . 34488 1 39 18 GLN . 34488 1 40 19 MET . 34488 1 41 20 ARG . 34488 1 42 21 LYS . 34488 1 43 22 ILE . 34488 1 44 23 ASP . 34488 1 45 24 ALA . 34488 1 46 25 ASP . 34488 1 47 26 ALA . 34488 1 48 27 ALA . 34488 1 49 28 ALA . 34488 1 50 29 LEU . 34488 1 51 30 SER . 34488 1 52 31 GLU . 34488 1 53 32 THR . 34488 1 54 33 ARG . 34488 1 55 34 THR . 34488 1 56 35 ILE . 34488 1 57 36 GLU . 34488 1 58 37 GLU . 34488 1 59 38 LEU . 34488 1 60 39 ASP . 34488 1 61 40 THR . 34488 1 62 41 PHE . 34488 1 63 42 LYS . 34488 1 64 43 LEU . 34488 1 65 44 ASP . 34488 1 66 45 VAL . 34488 1 67 46 ALA . 34488 1 68 47 ASP . 34488 1 69 48 PHE . 34488 1 70 49 VAL . 34488 1 71 50 THR . 34488 1 72 51 THR . 34488 1 73 52 VAL . 34488 1 74 53 VAL . 34488 1 75 54 GLN . 34488 1 76 55 LEU . 34488 1 77 56 ALA . 34488 1 78 57 GLU . 34488 1 79 58 GLU . 34488 1 80 59 LEU . 34488 1 81 60 GLU . 34488 1 82 61 HIS . 34488 1 83 62 ARG . 34488 1 84 63 PHE . 34488 1 85 64 GLY . 34488 1 86 65 ARG . 34488 1 87 66 ASN . 34488 1 88 67 ARG . 34488 1 89 68 ARG . 34488 1 90 69 GLY . 34488 1 91 70 ARG . 34488 1 92 71 THR . 34488 1 93 72 GLU . 34488 1 94 73 ILE . 34488 1 95 74 TYR . 34488 1 96 75 LYS . 34488 1 97 76 ILE . 34488 1 98 77 VAL . 34488 1 99 78 LYS . 34488 1 100 79 GLU . 34488 1 101 80 VAL . 34488 1 102 81 ASP . 34488 1 103 82 ARG . 34488 1 104 83 LYS . 34488 1 105 84 LEU . 34488 1 106 85 LEU . 34488 1 107 86 ASP . 34488 1 108 87 LEU . 34488 1 109 88 THR . 34488 1 110 89 ASP . 34488 1 111 90 ALA . 34488 1 112 91 VAL . 34488 1 113 92 LEU . 34488 1 114 93 ALA . 34488 1 115 94 LYS . 34488 1 116 95 GLU . 34488 1 117 96 LYS . 34488 1 118 97 LYS . 34488 1 119 98 GLY . 34488 1 120 99 GLU . 34488 1 121 100 ASP . 34488 1 122 101 ILE . 34488 1 123 102 LEU . 34488 1 124 103 ASN . 34488 1 125 104 MET . 34488 1 126 105 VAL . 34488 1 127 106 ALA . 34488 1 128 107 GLU . 34488 1 129 108 ILE . 34488 1 130 109 LYS . 34488 1 131 110 ALA . 34488 1 132 111 LEU . 34488 1 133 112 LEU . 34488 1 134 113 ILE . 34488 1 135 114 ASN . 34488 1 136 115 ILE . 34488 1 137 116 TYR . 34488 1 138 117 LYS . 34488 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 34488 1 . GLY 2 2 34488 1 . SER 3 3 34488 1 . SER 4 4 34488 1 . HIS 5 5 34488 1 . HIS 6 6 34488 1 . HIS 7 7 34488 1 . HIS 8 8 34488 1 . HIS 9 9 34488 1 . HIS 10 10 34488 1 . SER 11 11 34488 1 . SER 12 12 34488 1 . GLY 13 13 34488 1 . LEU 14 14 34488 1 . VAL 15 15 34488 1 . PRO 16 16 34488 1 . ARG 17 17 34488 1 . GLY 18 18 34488 1 . SER 19 19 34488 1 . HIS 20 20 34488 1 . MET 21 21 34488 1 . GLU 22 22 34488 1 . ALA 23 23 34488 1 . ALA 24 24 34488 1 . ALA 25 25 34488 1 . ALA 26 26 34488 1 . ALA 27 27 34488 1 . ARG 28 28 34488 1 . ASP 29 29 34488 1 . GLU 30 30 34488 1 . SER 31 31 34488 1 . ALA 32 32 34488 1 . TYR 33 33 34488 1 . LEU 34 34 34488 1 . LYS 35 35 34488 1 . LEU 36 36 34488 1 . GLN 37 37 34488 1 . GLU 38 38 34488 1 . GLN 39 39 34488 1 . MET 40 40 34488 1 . ARG 41 41 34488 1 . LYS 42 42 34488 1 . ILE 43 43 34488 1 . ASP 44 44 34488 1 . ALA 45 45 34488 1 . ASP 46 46 34488 1 . ALA 47 47 34488 1 . ALA 48 48 34488 1 . ALA 49 49 34488 1 . LEU 50 50 34488 1 . SER 51 51 34488 1 . GLU 52 52 34488 1 . THR 53 53 34488 1 . ARG 54 54 34488 1 . THR 55 55 34488 1 . ILE 56 56 34488 1 . GLU 57 57 34488 1 . GLU 58 58 34488 1 . LEU 59 59 34488 1 . ASP 60 60 34488 1 . THR 61 61 34488 1 . PHE 62 62 34488 1 . LYS 63 63 34488 1 . LEU 64 64 34488 1 . ASP 65 65 34488 1 . VAL 66 66 34488 1 . ALA 67 67 34488 1 . ASP 68 68 34488 1 . PHE 69 69 34488 1 . VAL 70 70 34488 1 . THR 71 71 34488 1 . THR 72 72 34488 1 . VAL 73 73 34488 1 . VAL 74 74 34488 1 . GLN 75 75 34488 1 . LEU 76 76 34488 1 . ALA 77 77 34488 1 . GLU 78 78 34488 1 . GLU 79 79 34488 1 . LEU 80 80 34488 1 . GLU 81 81 34488 1 . HIS 82 82 34488 1 . ARG 83 83 34488 1 . PHE 84 84 34488 1 . GLY 85 85 34488 1 . ARG 86 86 34488 1 . ASN 87 87 34488 1 . ARG 88 88 34488 1 . ARG 89 89 34488 1 . GLY 90 90 34488 1 . ARG 91 91 34488 1 . THR 92 92 34488 1 . GLU 93 93 34488 1 . ILE 94 94 34488 1 . TYR 95 95 34488 1 . LYS 96 96 34488 1 . ILE 97 97 34488 1 . VAL 98 98 34488 1 . LYS 99 99 34488 1 . GLU 100 100 34488 1 . VAL 101 101 34488 1 . ASP 102 102 34488 1 . ARG 103 103 34488 1 . LYS 104 104 34488 1 . LEU 105 105 34488 1 . LEU 106 106 34488 1 . ASP 107 107 34488 1 . LEU 108 108 34488 1 . THR 109 109 34488 1 . ASP 110 110 34488 1 . ALA 111 111 34488 1 . VAL 112 112 34488 1 . LEU 113 113 34488 1 . ALA 114 114 34488 1 . LYS 115 115 34488 1 . GLU 116 116 34488 1 . LYS 117 117 34488 1 . LYS 118 118 34488 1 . GLY 119 119 34488 1 . GLU 120 120 34488 1 . ASP 121 121 34488 1 . ILE 122 122 34488 1 . LEU 123 123 34488 1 . ASN 124 124 34488 1 . MET 125 125 34488 1 . VAL 126 126 34488 1 . ALA 127 127 34488 1 . GLU 128 128 34488 1 . ILE 129 129 34488 1 . LYS 130 130 34488 1 . ALA 131 131 34488 1 . LEU 132 132 34488 1 . LEU 133 133 34488 1 . ILE 134 134 34488 1 . ASN 135 135 34488 1 . ILE 136 136 34488 1 . TYR 137 137 34488 1 . LYS 138 138 34488 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 34488 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 32630 . . 'synthetic construct' . . . . . . . . . . . . . . . . . . . . 34488 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 34488 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34488 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34488 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '600 uM [U-99% 13C; U-99% 15N] Moevan, 50 mM PBS, 90% H2O/10% D2O' _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 Moevan '[U-99% 13C; U-99% 15N]' 1 $assembly 1 $entity_1 . . 600 . . uM . . . . 34488 1 2 PBS 'natural abundance' . . . . . . 50 . . mM . . . . 34488 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 34488 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 125 . mM 34488 1 pH 5.2 . pH 34488 1 pressure 1 . atm 34488 1 temperature 298 . K 34488 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34488 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 125 . mM 34488 2 pH 5.2 . pH 34488 2 pressure 1 . atm 34488 2 temperature 313 . K 34488 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34488 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34488 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34488 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34488 _Software.ID 2 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34488 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34488 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34488 _Software.ID 3 _Software.Type . _Software.Name Rosetta _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Baker . . 34488 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34488 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34488 _Software.ID 4 _Software.Type . _Software.Name CoMAND _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'in house' . . 34488 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34488 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34488 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34488 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 34488 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34488 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 34488 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 34488 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34488 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34488 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34488 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34488 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34488 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34488 1 7 '3D (H)CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34488 1 8 '3D (H)CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34488 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34488 1 10 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34488 1 11 '2D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34488 1 12 '3D CNH-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34488 1 13 '3D CNH-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34488 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34488 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34488 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34488 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34488 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34488 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34488 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34488 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 34488 1 2 '3D HNCO' . . . 34488 1 3 '3D HNCA' . . . 34488 1 4 '3D HNCA' . . . 34488 1 5 '3D HNCACB' . . . 34488 1 6 '3D HNCACB' . . . 34488 1 7 '3D (H)CC(CO)NH' . . . 34488 1 8 '3D (H)CC(CO)NH' . . . 34488 1 9 '3D CCH-TOCSY' . . . 34488 1 10 '3D CCH-TOCSY' . . . 34488 1 11 '2D NOESY' . . . 34488 1 12 '3D CNH-NOESY' . . . 34488 1 13 '3D CNH-NOESY' . . . 34488 1 14 '3D 1H-13C NOESY' . . . 34488 1 15 '3D 1H-15N NOESY' . . . 34488 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 27 27 ALA CA C 13 54.15 0.05 . 1 . . . . A 6 ALA CA . 34488 1 2 . 1 . 1 27 27 ALA CB C 13 17.98 0.05 . 1 . . . . A 6 ALA CB . 34488 1 3 . 1 . 1 30 30 GLU CA C 13 57.13 0.05 . 1 . . . . A 9 GLU CA . 34488 1 4 . 1 . 1 30 30 GLU CB C 13 30.1 0.05 . 1 . . . . A 9 GLU CB . 34488 1 5 . 1 . 1 30 30 GLU CG C 13 35.38 0.05 . 1 . . . . A 9 GLU CG . 34488 1 6 . 1 . 1 31 31 SER HA H 1 4.09 0.02 . 1 . . . . A 10 SER HA . 34488 1 7 . 1 . 1 31 31 SER HB2 H 1 4.36 0.02 . 1 . . . . A 10 SER HB2 . 34488 1 8 . 1 . 1 31 31 SER HB3 H 1 4.36 0.02 . 1 . . . . A 10 SER HB3 . 34488 1 9 . 1 . 1 31 31 SER CA C 13 60.09 0.05 . 1 . . . . A 10 SER CA . 34488 1 10 . 1 . 1 31 31 SER CB C 13 62.26 0.05 . 1 . . . . A 10 SER CB . 34488 1 11 . 1 . 1 32 32 ALA HA H 1 4.21 0.02 . 1 . . . . A 11 ALA HA . 34488 1 12 . 1 . 1 32 32 ALA HB1 H 1 1.55 0.02 . 1 . . . . A 11 ALA HB1 . 34488 1 13 . 1 . 1 32 32 ALA HB2 H 1 1.55 0.02 . 1 . . . . A 11 ALA HB2 . 34488 1 14 . 1 . 1 32 32 ALA HB3 H 1 1.55 0.02 . 1 . . . . A 11 ALA HB3 . 34488 1 15 . 1 . 1 32 32 ALA C C 13 178.88 0.05 . 1 . . . . A 11 ALA C . 34488 1 16 . 1 . 1 32 32 ALA CA C 13 54.27 0.05 . 1 . . . . A 11 ALA CA . 34488 1 17 . 1 . 1 32 32 ALA CB C 13 17.85 0.05 . 1 . . . . A 11 ALA CB . 34488 1 18 . 1 . 1 33 33 TYR H H 1 7.93 0.02 . 1 . . . . A 12 TYR H . 34488 1 19 . 1 . 1 33 33 TYR HA H 1 4.23 0.02 . 1 . . . . A 12 TYR HA . 34488 1 20 . 1 . 1 33 33 TYR HB2 H 1 3.23 0.02 . 1 . . . . A 12 TYR HB2 . 34488 1 21 . 1 . 1 33 33 TYR HB3 H 1 3.17 0.02 . 1 . . . . A 12 TYR HB3 . 34488 1 22 . 1 . 1 33 33 TYR HD1 H 1 7.17 0.02 . 1 . . . . A 12 TYR HD1 . 34488 1 23 . 1 . 1 33 33 TYR HD2 H 1 7.17 0.02 . 1 . . . . A 12 TYR HD2 . 34488 1 24 . 1 . 1 33 33 TYR HE1 H 1 6.91 0.02 . 1 . . . . A 12 TYR HE1 . 34488 1 25 . 1 . 1 33 33 TYR HE2 H 1 6.91 0.02 . 1 . . . . A 12 TYR HE2 . 34488 1 26 . 1 . 1 33 33 TYR C C 13 178.1 0.05 . 1 . . . . A 12 TYR C . 34488 1 27 . 1 . 1 33 33 TYR CA C 13 60.27 0.05 . 1 . . . . A 12 TYR CA . 34488 1 28 . 1 . 1 33 33 TYR CB C 13 37.06 0.05 . 1 . . . . A 12 TYR CB . 34488 1 29 . 1 . 1 33 33 TYR CD1 C 13 132.8 0.05 . 1 . . . . A 12 TYR CD1 . 34488 1 30 . 1 . 1 33 33 TYR CD2 C 13 132.8 0.05 . 1 . . . . A 12 TYR CD2 . 34488 1 31 . 1 . 1 33 33 TYR CE1 C 13 119.7 0.05 . 1 . . . . A 12 TYR CE1 . 34488 1 32 . 1 . 1 33 33 TYR CE2 C 13 119.7 0.05 . 1 . . . . A 12 TYR CE2 . 34488 1 33 . 1 . 1 33 33 TYR N N 15 116.43 0.05 . 1 . . . . A 12 TYR N . 34488 1 34 . 1 . 1 34 34 LEU H H 1 8.01 0.02 . 1 . . . . A 13 LEU H . 34488 1 35 . 1 . 1 34 34 LEU HA H 1 4.17 0.02 . 1 . . . . A 13 LEU HA . 34488 1 36 . 1 . 1 34 34 LEU HB2 H 1 1.97 0.02 . 1 . . . . A 13 LEU HB2 . 34488 1 37 . 1 . 1 34 34 LEU HB3 H 1 1.85 0.02 . 1 . . . . A 13 LEU HB3 . 34488 1 38 . 1 . 1 34 34 LEU HG H 1 1.92 0.02 . 1 . . . . A 13 LEU HG . 34488 1 39 . 1 . 1 34 34 LEU HD11 H 1 1.06 0.02 . 1 . . . . A 13 LEU HD11 . 34488 1 40 . 1 . 1 34 34 LEU HD12 H 1 1.06 0.02 . 1 . . . . A 13 LEU HD12 . 34488 1 41 . 1 . 1 34 34 LEU HD13 H 1 1.06 0.02 . 1 . . . . A 13 LEU HD13 . 34488 1 42 . 1 . 1 34 34 LEU HD21 H 1 1.03 0.02 . 1 . . . . A 13 LEU HD21 . 34488 1 43 . 1 . 1 34 34 LEU HD22 H 1 1.03 0.02 . 1 . . . . A 13 LEU HD22 . 34488 1 44 . 1 . 1 34 34 LEU HD23 H 1 1.03 0.02 . 1 . . . . A 13 LEU HD23 . 34488 1 45 . 1 . 1 34 34 LEU C C 13 179.34 0.05 . 1 . . . . A 13 LEU C . 34488 1 46 . 1 . 1 34 34 LEU CA C 13 57.17 0.05 . 1 . . . . A 13 LEU CA . 34488 1 47 . 1 . 1 34 34 LEU CB C 13 40.63 0.05 . 1 . . . . A 13 LEU CB . 34488 1 48 . 1 . 1 34 34 LEU CG C 13 26.27 0.05 . 1 . . . . A 13 LEU CG . 34488 1 49 . 1 . 1 34 34 LEU CD1 C 13 24.2 0.05 . 1 . . . . A 13 LEU CD1 . 34488 1 50 . 1 . 1 34 34 LEU CD2 C 13 22.63 0.05 . 1 . . . . A 13 LEU CD2 . 34488 1 51 . 1 . 1 34 34 LEU N N 15 120.1 0.05 . 1 . . . . A 13 LEU N . 34488 1 52 . 1 . 1 35 35 LYS H H 1 7.89 0.02 . 1 . . . . A 14 LYS H . 34488 1 53 . 1 . 1 35 35 LYS HA H 1 4.21 0.02 . 1 . . . . A 14 LYS HA . 34488 1 54 . 1 . 1 35 35 LYS HB2 H 1 2.03 0.02 . 1 . . . . A 14 LYS HB2 . 34488 1 55 . 1 . 1 35 35 LYS HB3 H 1 2.03 0.02 . 1 . . . . A 14 LYS HB3 . 34488 1 56 . 1 . 1 35 35 LYS C C 13 178.53 0.05 . 1 . . . . A 14 LYS C . 34488 1 57 . 1 . 1 35 35 LYS CA C 13 58.38 0.05 . 1 . . . . A 14 LYS CA . 34488 1 58 . 1 . 1 35 35 LYS CB C 13 31.12 0.05 . 1 . . . . A 14 LYS CB . 34488 1 59 . 1 . 1 35 35 LYS CG C 13 24.15 0.05 . 1 . . . . A 14 LYS CG . 34488 1 60 . 1 . 1 35 35 LYS CD C 13 28.17 0.05 . 1 . . . . A 14 LYS CD . 34488 1 61 . 1 . 1 35 35 LYS CE C 13 41.56 0.05 . 1 . . . . A 14 LYS CE . 34488 1 62 . 1 . 1 35 35 LYS N N 15 120.42 0.05 . 1 . . . . A 14 LYS N . 34488 1 63 . 1 . 1 36 36 LEU H H 1 7.93 0.02 . 1 . . . . A 15 LEU H . 34488 1 64 . 1 . 1 36 36 LEU HA H 1 4.17 0.02 . 1 . . . . A 15 LEU HA . 34488 1 65 . 1 . 1 36 36 LEU HB2 H 1 1.87 0.02 . 1 . . . . A 15 LEU HB2 . 34488 1 66 . 1 . 1 36 36 LEU HB3 H 1 1.87 0.02 . 1 . . . . A 15 LEU HB3 . 34488 1 67 . 1 . 1 36 36 LEU HD11 H 1 0.59 0.02 . 1 . . . . A 15 LEU HD11 . 34488 1 68 . 1 . 1 36 36 LEU HD12 H 1 0.59 0.02 . 1 . . . . A 15 LEU HD12 . 34488 1 69 . 1 . 1 36 36 LEU HD13 H 1 0.59 0.02 . 1 . . . . A 15 LEU HD13 . 34488 1 70 . 1 . 1 36 36 LEU HD21 H 1 0.4 0.02 . 1 . . . . A 15 LEU HD21 . 34488 1 71 . 1 . 1 36 36 LEU HD22 H 1 0.4 0.02 . 1 . . . . A 15 LEU HD22 . 34488 1 72 . 1 . 1 36 36 LEU HD23 H 1 0.4 0.02 . 1 . . . . A 15 LEU HD23 . 34488 1 73 . 1 . 1 36 36 LEU C C 13 179.36 0.05 . 1 . . . . A 15 LEU C . 34488 1 74 . 1 . 1 36 36 LEU CA C 13 57.05 0.05 . 1 . . . . A 15 LEU CA . 34488 1 75 . 1 . 1 36 36 LEU CB C 13 40.44 0.05 . 1 . . . . A 15 LEU CB . 34488 1 76 . 1 . 1 36 36 LEU CG C 13 25.81 0.05 . 1 . . . . A 15 LEU CG . 34488 1 77 . 1 . 1 36 36 LEU CD1 C 13 24.91 0.05 . 1 . . . . A 15 LEU CD1 . 34488 1 78 . 1 . 1 36 36 LEU CD2 C 13 22.48 0.05 . 1 . . . . A 15 LEU CD2 . 34488 1 79 . 1 . 1 36 36 LEU N N 15 119.36 0.05 . 1 . . . . A 15 LEU N . 34488 1 80 . 1 . 1 37 37 GLN H H 1 8.03 0.02 . 1 . . . . A 16 GLN H . 34488 1 81 . 1 . 1 37 37 GLN HA H 1 4.21 0.02 . 1 . . . . A 16 GLN HA . 34488 1 82 . 1 . 1 37 37 GLN HB2 H 1 2.34 0.02 . 1 . . . . A 16 GLN HB2 . 34488 1 83 . 1 . 1 37 37 GLN HB3 H 1 2.26 0.02 . 1 . . . . A 16 GLN HB3 . 34488 1 84 . 1 . 1 37 37 GLN HG2 H 1 2.59 0.02 . 1 . . . . A 16 GLN HG2 . 34488 1 85 . 1 . 1 37 37 GLN HG3 H 1 2.39 0.02 . 1 . . . . A 16 GLN HG3 . 34488 1 86 . 1 . 1 37 37 GLN C C 13 179.27 0.05 . 1 . . . . A 16 GLN C . 34488 1 87 . 1 . 1 37 37 GLN CA C 13 58.33 0.05 . 1 . . . . A 16 GLN CA . 34488 1 88 . 1 . 1 37 37 GLN CB C 13 27.98 0.05 . 1 . . . . A 16 GLN CB . 34488 1 89 . 1 . 1 37 37 GLN CG C 13 33.31 0.05 . 1 . . . . A 16 GLN CG . 34488 1 90 . 1 . 1 37 37 GLN N N 15 118.15 0.05 . 1 . . . . A 16 GLN N . 34488 1 91 . 1 . 1 38 38 GLU H H 1 8.07 0.02 . 1 . . . . A 17 GLU H . 34488 1 92 . 1 . 1 38 38 GLU HA H 1 4.34 0.02 . 1 . . . . A 17 GLU HA . 34488 1 93 . 1 . 1 38 38 GLU HB2 H 1 2.19 0.02 . 1 . . . . A 17 GLU HB2 . 34488 1 94 . 1 . 1 38 38 GLU HB3 H 1 2.12 0.02 . 1 . . . . A 17 GLU HB3 . 34488 1 95 . 1 . 1 38 38 GLU HG2 H 1 2.44 0.02 . 1 . . . . A 17 GLU HG2 . 34488 1 96 . 1 . 1 38 38 GLU HG3 H 1 2.44 0.02 . 1 . . . . A 17 GLU HG3 . 34488 1 97 . 1 . 1 38 38 GLU C C 13 177.61 0.05 . 1 . . . . A 17 GLU C . 34488 1 98 . 1 . 1 38 38 GLU CA C 13 58.46 0.05 . 1 . . . . A 17 GLU CA . 34488 1 99 . 1 . 1 38 38 GLU CB C 13 28.54 0.05 . 1 . . . . A 17 GLU CB . 34488 1 100 . 1 . 1 38 38 GLU CG C 13 35.21 0.05 . 1 . . . . A 17 GLU CG . 34488 1 101 . 1 . 1 38 38 GLU N N 15 120.5 0.05 . 1 . . . . A 17 GLU N . 34488 1 102 . 1 . 1 39 39 GLN H H 1 8.48 0.02 . 1 . . . . A 18 GLN H . 34488 1 103 . 1 . 1 39 39 GLN HA H 1 4.22 0.02 . 1 . . . . A 18 GLN HA . 34488 1 104 . 1 . 1 39 39 GLN HB2 H 1 2.32 0.02 . 1 . . . . A 18 GLN HB2 . 34488 1 105 . 1 . 1 39 39 GLN HB3 H 1 2.26 0.02 . 1 . . . . A 18 GLN HB3 . 34488 1 106 . 1 . 1 39 39 GLN HG2 H 1 2.6 0.02 . 1 . . . . A 18 GLN HG2 . 34488 1 107 . 1 . 1 39 39 GLN HG3 H 1 2.39 0.02 . 1 . . . . A 18 GLN HG3 . 34488 1 108 . 1 . 1 39 39 GLN C C 13 178.75 0.05 . 1 . . . . A 18 GLN C . 34488 1 109 . 1 . 1 39 39 GLN CA C 13 58.21 0.05 . 1 . . . . A 18 GLN CA . 34488 1 110 . 1 . 1 39 39 GLN CB C 13 27.88 0.05 . 1 . . . . A 18 GLN CB . 34488 1 111 . 1 . 1 39 39 GLN CG C 13 33.54 0.05 . 1 . . . . A 18 GLN CG . 34488 1 112 . 1 . 1 39 39 GLN N N 15 120.48 0.05 . 1 . . . . A 18 GLN N . 34488 1 113 . 1 . 1 40 40 MET H H 1 8.64 0.02 . 1 . . . . A 19 MET H . 34488 1 114 . 1 . 1 40 40 MET HA H 1 4.42 0.02 . 1 . . . . A 19 MET HA . 34488 1 115 . 1 . 1 40 40 MET HB2 H 1 2.29 0.02 . 1 . . . . A 19 MET HB2 . 34488 1 116 . 1 . 1 40 40 MET HB3 H 1 2.23 0.02 . 1 . . . . A 19 MET HB3 . 34488 1 117 . 1 . 1 40 40 MET HG2 H 1 2.64 0.02 . 1 . . . . A 19 MET HG2 . 34488 1 118 . 1 . 1 40 40 MET HG3 H 1 2.64 0.02 . 1 . . . . A 19 MET HG3 . 34488 1 119 . 1 . 1 40 40 MET HE1 H 1 2.15 0.02 . 1 . . . . A 19 MET HE1 . 34488 1 120 . 1 . 1 40 40 MET HE2 H 1 2.15 0.02 . 1 . . . . A 19 MET HE2 . 34488 1 121 . 1 . 1 40 40 MET HE3 H 1 2.15 0.02 . 1 . . . . A 19 MET HE3 . 34488 1 122 . 1 . 1 40 40 MET C C 13 177.11 0.05 . 1 . . . . A 19 MET C . 34488 1 123 . 1 . 1 40 40 MET CA C 13 56.46 0.05 . 1 . . . . A 19 MET CA . 34488 1 124 . 1 . 1 40 40 MET CB C 13 30.41 0.05 . 1 . . . . A 19 MET CB . 34488 1 125 . 1 . 1 40 40 MET CG C 13 31.72 0.05 . 1 . . . . A 19 MET CG . 34488 1 126 . 1 . 1 40 40 MET CE C 13 17.08 0.05 . 1 . . . . A 19 MET CE . 34488 1 127 . 1 . 1 40 40 MET N N 15 119.8 0.05 . 1 . . . . A 19 MET N . 34488 1 128 . 1 . 1 41 41 ARG H H 1 7.87 0.02 . 1 . . . . A 20 ARG H . 34488 1 129 . 1 . 1 41 41 ARG HA H 1 4.26 0.02 . 1 . . . . A 20 ARG HA . 34488 1 130 . 1 . 1 41 41 ARG HB2 H 1 2.03 0.02 . 1 . . . . A 20 ARG HB2 . 34488 1 131 . 1 . 1 41 41 ARG HB3 H 1 1.79 0.02 . 1 . . . . A 20 ARG HB3 . 34488 1 132 . 1 . 1 41 41 ARG HG2 H 1 2.13 0.02 . 1 . . . . A 20 ARG HG2 . 34488 1 133 . 1 . 1 41 41 ARG HG3 H 1 2.13 0.02 . 1 . . . . A 20 ARG HG3 . 34488 1 134 . 1 . 1 41 41 ARG HD2 H 1 3.36 0.02 . 1 . . . . A 20 ARG HD2 . 34488 1 135 . 1 . 1 41 41 ARG HD3 H 1 3.36 0.02 . 1 . . . . A 20 ARG HD3 . 34488 1 136 . 1 . 1 41 41 ARG C C 13 179.29 0.05 . 1 . . . . A 20 ARG C . 34488 1 137 . 1 . 1 41 41 ARG CA C 13 58.69 0.05 . 1 . . . . A 20 ARG CA . 34488 1 138 . 1 . 1 41 41 ARG CB C 13 29.01 0.05 . 1 . . . . A 20 ARG CB . 34488 1 139 . 1 . 1 41 41 ARG CG C 13 27.17 0.05 . 1 . . . . A 20 ARG CG . 34488 1 140 . 1 . 1 41 41 ARG CD C 13 42.6 0.05 . 1 . . . . A 20 ARG CD . 34488 1 141 . 1 . 1 41 41 ARG N N 15 119.53 0.05 . 1 . . . . A 20 ARG N . 34488 1 142 . 1 . 1 42 42 LYS H H 1 7.67 0.02 . 1 . . . . A 21 LYS H . 34488 1 143 . 1 . 1 42 42 LYS HA H 1 4.21 0.02 . 1 . . . . A 21 LYS HA . 34488 1 144 . 1 . 1 42 42 LYS HB2 H 1 2.02 0.02 . 1 . . . . A 21 LYS HB2 . 34488 1 145 . 1 . 1 42 42 LYS HB3 H 1 2.02 0.02 . 1 . . . . A 21 LYS HB3 . 34488 1 146 . 1 . 1 42 42 LYS HG2 H 1 1.62 0.02 . 1 . . . . A 21 LYS HG2 . 34488 1 147 . 1 . 1 42 42 LYS HG3 H 1 1.62 0.02 . 1 . . . . A 21 LYS HG3 . 34488 1 148 . 1 . 1 42 42 LYS HD2 H 1 1.76 0.02 . 1 . . . . A 21 LYS HD2 . 34488 1 149 . 1 . 1 42 42 LYS HD3 H 1 1.76 0.02 . 1 . . . . A 21 LYS HD3 . 34488 1 150 . 1 . 1 42 42 LYS HE2 H 1 3.11 0.02 . 1 . . . . A 21 LYS HE2 . 34488 1 151 . 1 . 1 42 42 LYS HE3 H 1 3.11 0.02 . 1 . . . . A 21 LYS HE3 . 34488 1 152 . 1 . 1 42 42 LYS C C 13 177.6 0.05 . 1 . . . . A 21 LYS C . 34488 1 153 . 1 . 1 42 42 LYS CA C 13 58.53 0.05 . 1 . . . . A 21 LYS CA . 34488 1 154 . 1 . 1 42 42 LYS CB C 13 31.57 0.05 . 1 . . . . A 21 LYS CB . 34488 1 155 . 1 . 1 42 42 LYS CG C 13 24.1 0.05 . 1 . . . . A 21 LYS CG . 34488 1 156 . 1 . 1 42 42 LYS CD C 13 28.19 0.05 . 1 . . . . A 21 LYS CD . 34488 1 157 . 1 . 1 42 42 LYS CE C 13 41.51 0.05 . 1 . . . . A 21 LYS CE . 34488 1 158 . 1 . 1 42 42 LYS N N 15 121.48 0.05 . 1 . . . . A 21 LYS N . 34488 1 159 . 1 . 1 43 43 ILE H H 1 7.99 0.02 . 1 . . . . A 22 ILE H . 34488 1 160 . 1 . 1 43 43 ILE HA H 1 3.8 0.02 . 1 . . . . A 22 ILE HA . 34488 1 161 . 1 . 1 43 43 ILE HB H 1 2.2 0.02 . 1 . . . . A 22 ILE HB . 34488 1 162 . 1 . 1 43 43 ILE HG12 H 1 1.82 0.02 . 1 . . . . A 22 ILE HG12 . 34488 1 163 . 1 . 1 43 43 ILE HG13 H 1 0.79 0.02 . 1 . . . . A 22 ILE HG13 . 34488 1 164 . 1 . 1 43 43 ILE C C 13 177.57 0.05 . 1 . . . . A 22 ILE C . 34488 1 165 . 1 . 1 43 43 ILE CA C 13 65.12 0.05 . 1 . . . . A 22 ILE CA . 34488 1 166 . 1 . 1 43 43 ILE CB C 13 36.54 0.05 . 1 . . . . A 22 ILE CB . 34488 1 167 . 1 . 1 43 43 ILE CG1 C 13 30.08 0.05 . 1 . . . . A 22 ILE CG1 . 34488 1 168 . 1 . 1 43 43 ILE N N 15 120.61 0.05 . 1 . . . . A 22 ILE N . 34488 1 169 . 1 . 1 44 44 ASP H H 1 8.52 0.02 . 1 . . . . A 23 ASP H . 34488 1 170 . 1 . 1 44 44 ASP HA H 1 4.49 0.02 . 1 . . . . A 23 ASP HA . 34488 1 171 . 1 . 1 44 44 ASP HB2 H 1 2.95 0.02 . 1 . . . . A 23 ASP HB2 . 34488 1 172 . 1 . 1 44 44 ASP HB3 H 1 2.78 0.02 . 1 . . . . A 23 ASP HB3 . 34488 1 173 . 1 . 1 44 44 ASP C C 13 179.11 0.05 . 1 . . . . A 23 ASP C . 34488 1 174 . 1 . 1 44 44 ASP CA C 13 57.01 0.05 . 1 . . . . A 23 ASP CA . 34488 1 175 . 1 . 1 44 44 ASP CB C 13 39.83 0.05 . 1 . . . . A 23 ASP CB . 34488 1 176 . 1 . 1 44 44 ASP N N 15 120.4 0.05 . 1 . . . . A 23 ASP N . 34488 1 177 . 1 . 1 45 45 ALA H H 1 7.96 0.02 . 1 . . . . A 24 ALA H . 34488 1 178 . 1 . 1 45 45 ALA HA H 1 4.17 0.02 . 1 . . . . A 24 ALA HA . 34488 1 179 . 1 . 1 45 45 ALA HB1 H 1 1.64 0.02 . 1 . . . . A 24 ALA HB1 . 34488 1 180 . 1 . 1 45 45 ALA HB2 H 1 1.64 0.02 . 1 . . . . A 24 ALA HB2 . 34488 1 181 . 1 . 1 45 45 ALA HB3 H 1 1.64 0.02 . 1 . . . . A 24 ALA HB3 . 34488 1 182 . 1 . 1 45 45 ALA C C 13 180.67 0.05 . 1 . . . . A 24 ALA C . 34488 1 183 . 1 . 1 45 45 ALA CA C 13 54.41 0.05 . 1 . . . . A 24 ALA CA . 34488 1 184 . 1 . 1 45 45 ALA CB C 13 17.07 0.05 . 1 . . . . A 24 ALA CB . 34488 1 185 . 1 . 1 45 45 ALA N N 15 124.49 0.05 . 1 . . . . A 24 ALA N . 34488 1 186 . 1 . 1 46 46 ASP H H 1 9.21 0.02 . 1 . . . . A 25 ASP H . 34488 1 187 . 1 . 1 46 46 ASP HA H 1 4.6 0.02 . 1 . . . . A 25 ASP HA . 34488 1 188 . 1 . 1 46 46 ASP HB2 H 1 3.5 0.02 . 1 . . . . A 25 ASP HB2 . 34488 1 189 . 1 . 1 46 46 ASP HB3 H 1 3.16 0.02 . 1 . . . . A 25 ASP HB3 . 34488 1 190 . 1 . 1 46 46 ASP C C 13 178.57 0.05 . 1 . . . . A 25 ASP C . 34488 1 191 . 1 . 1 46 46 ASP CA C 13 54.88 0.05 . 1 . . . . A 25 ASP CA . 34488 1 192 . 1 . 1 46 46 ASP CB C 13 38.26 0.05 . 1 . . . . A 25 ASP CB . 34488 1 193 . 1 . 1 46 46 ASP N N 15 120.56 0.05 . 1 . . . . A 25 ASP N . 34488 1 194 . 1 . 1 47 47 ALA H H 1 9.22 0.02 . 1 . . . . A 26 ALA H . 34488 1 195 . 1 . 1 47 47 ALA HA H 1 3.76 0.02 . 1 . . . . A 26 ALA HA . 34488 1 196 . 1 . 1 47 47 ALA HB1 H 1 1.63 0.02 . 1 . . . . A 26 ALA HB1 . 34488 1 197 . 1 . 1 47 47 ALA HB2 H 1 1.63 0.02 . 1 . . . . A 26 ALA HB2 . 34488 1 198 . 1 . 1 47 47 ALA HB3 H 1 1.63 0.02 . 1 . . . . A 26 ALA HB3 . 34488 1 199 . 1 . 1 47 47 ALA C C 13 178.79 0.05 . 1 . . . . A 26 ALA C . 34488 1 200 . 1 . 1 47 47 ALA CA C 13 54.24 0.05 . 1 . . . . A 26 ALA CA . 34488 1 201 . 1 . 1 47 47 ALA CB C 13 18.31 0.05 . 1 . . . . A 26 ALA CB . 34488 1 202 . 1 . 1 47 47 ALA N N 15 124.4 0.05 . 1 . . . . A 26 ALA N . 34488 1 203 . 1 . 1 48 48 ALA H H 1 7.79 0.02 . 1 . . . . A 27 ALA H . 34488 1 204 . 1 . 1 48 48 ALA HA H 1 4.17 0.02 . 1 . . . . A 27 ALA HA . 34488 1 205 . 1 . 1 48 48 ALA HB1 H 1 1.67 0.02 . 1 . . . . A 27 ALA HB1 . 34488 1 206 . 1 . 1 48 48 ALA HB2 H 1 1.67 0.02 . 1 . . . . A 27 ALA HB2 . 34488 1 207 . 1 . 1 48 48 ALA HB3 H 1 1.67 0.02 . 1 . . . . A 27 ALA HB3 . 34488 1 208 . 1 . 1 48 48 ALA C C 13 179.05 0.05 . 1 . . . . A 27 ALA C . 34488 1 209 . 1 . 1 48 48 ALA CA C 13 54.33 0.05 . 1 . . . . A 27 ALA CA . 34488 1 210 . 1 . 1 48 48 ALA CB C 13 16.88 0.05 . 1 . . . . A 27 ALA CB . 34488 1 211 . 1 . 1 48 48 ALA N N 15 121.91 0.05 . 1 . . . . A 27 ALA N . 34488 1 212 . 1 . 1 49 49 ALA H H 1 7.78 0.02 . 1 . . . . A 28 ALA H . 34488 1 213 . 1 . 1 49 49 ALA HA H 1 4.36 0.02 . 1 . . . . A 28 ALA HA . 34488 1 214 . 1 . 1 49 49 ALA HB1 H 1 1.6 0.02 . 1 . . . . A 28 ALA HB1 . 34488 1 215 . 1 . 1 49 49 ALA HB2 H 1 1.6 0.02 . 1 . . . . A 28 ALA HB2 . 34488 1 216 . 1 . 1 49 49 ALA HB3 H 1 1.6 0.02 . 1 . . . . A 28 ALA HB3 . 34488 1 217 . 1 . 1 49 49 ALA C C 13 179.03 0.05 . 1 . . . . A 28 ALA C . 34488 1 218 . 1 . 1 49 49 ALA CA C 13 54.44 0.05 . 1 . . . . A 28 ALA CA . 34488 1 219 . 1 . 1 49 49 ALA CB C 13 17.46 0.05 . 1 . . . . A 28 ALA CB . 34488 1 220 . 1 . 1 49 49 ALA N N 15 121.21 0.05 . 1 . . . . A 28 ALA N . 34488 1 221 . 1 . 1 50 50 LEU H H 1 8.43 0.02 . 1 . . . . A 29 LEU H . 34488 1 222 . 1 . 1 50 50 LEU HA H 1 4.17 0.02 . 1 . . . . A 29 LEU HA . 34488 1 223 . 1 . 1 50 50 LEU HB2 H 1 1.85 0.02 . 1 . . . . A 29 LEU HB2 . 34488 1 224 . 1 . 1 50 50 LEU HB3 H 1 1.41 0.02 . 1 . . . . A 29 LEU HB3 . 34488 1 225 . 1 . 1 50 50 LEU HG H 1 1.4 0.02 . 1 . . . . A 29 LEU HG . 34488 1 226 . 1 . 1 50 50 LEU HD11 H 1 0.53 0.02 . 1 . . . . A 29 LEU HD11 . 34488 1 227 . 1 . 1 50 50 LEU HD12 H 1 0.53 0.02 . 1 . . . . A 29 LEU HD12 . 34488 1 228 . 1 . 1 50 50 LEU HD13 H 1 0.53 0.02 . 1 . . . . A 29 LEU HD13 . 34488 1 229 . 1 . 1 50 50 LEU HD21 H 1 0.89 0.02 . 1 . . . . A 29 LEU HD21 . 34488 1 230 . 1 . 1 50 50 LEU HD22 H 1 0.89 0.02 . 1 . . . . A 29 LEU HD22 . 34488 1 231 . 1 . 1 50 50 LEU HD23 H 1 0.89 0.02 . 1 . . . . A 29 LEU HD23 . 34488 1 232 . 1 . 1 50 50 LEU C C 13 177.6 0.05 . 1 . . . . A 29 LEU C . 34488 1 233 . 1 . 1 50 50 LEU CA C 13 56.78 0.05 . 1 . . . . A 29 LEU CA . 34488 1 234 . 1 . 1 50 50 LEU CB C 13 41.1 0.05 . 1 . . . . A 29 LEU CB . 34488 1 235 . 1 . 1 50 50 LEU CG C 13 26.24 0.05 . 1 . . . . A 29 LEU CG . 34488 1 236 . 1 . 1 50 50 LEU CD1 C 13 25.86 0.05 . 1 . . . . A 29 LEU CD1 . 34488 1 237 . 1 . 1 50 50 LEU CD2 C 13 22.68 0.05 . 1 . . . . A 29 LEU CD2 . 34488 1 238 . 1 . 1 50 50 LEU N N 15 118.48 0.05 . 1 . . . . A 29 LEU N . 34488 1 239 . 1 . 1 51 51 SER H H 1 8.13 0.02 . 1 . . . . A 30 SER H . 34488 1 240 . 1 . 1 51 51 SER HA H 1 3.98 0.02 . 1 . . . . A 30 SER HA . 34488 1 241 . 1 . 1 51 51 SER HB2 H 1 3.97 0.02 . 1 . . . . A 30 SER HB2 . 34488 1 242 . 1 . 1 51 51 SER HB3 H 1 3.97 0.02 . 1 . . . . A 30 SER HB3 . 34488 1 243 . 1 . 1 51 51 SER C C 13 173.79 0.05 . 1 . . . . A 30 SER C . 34488 1 244 . 1 . 1 51 51 SER CA C 13 61.24 0.05 . 1 . . . . A 30 SER CA . 34488 1 245 . 1 . 1 51 51 SER CB C 13 62.19 0.05 . 1 . . . . A 30 SER CB . 34488 1 246 . 1 . 1 51 51 SER N N 15 112.38 0.05 . 1 . . . . A 30 SER N . 34488 1 247 . 1 . 1 52 52 GLU H H 1 7.54 0.02 . 1 . . . . A 31 GLU H . 34488 1 248 . 1 . 1 52 52 GLU HA H 1 4.43 0.02 . 1 . . . . A 31 GLU HA . 34488 1 249 . 1 . 1 52 52 GLU HB2 H 1 2.26 0.02 . 1 . . . . A 31 GLU HB2 . 34488 1 250 . 1 . 1 52 52 GLU HB3 H 1 2.26 0.02 . 1 . . . . A 31 GLU HB3 . 34488 1 251 . 1 . 1 52 52 GLU HG2 H 1 2.45 0.02 . 1 . . . . A 31 GLU HG2 . 34488 1 252 . 1 . 1 52 52 GLU HG3 H 1 2.36 0.02 . 1 . . . . A 31 GLU HG3 . 34488 1 253 . 1 . 1 52 52 GLU C C 13 177.44 0.05 . 1 . . . . A 31 GLU C . 34488 1 254 . 1 . 1 52 52 GLU CA C 13 57.46 0.05 . 1 . . . . A 31 GLU CA . 34488 1 255 . 1 . 1 52 52 GLU CB C 13 30.02 0.05 . 1 . . . . A 31 GLU CB . 34488 1 256 . 1 . 1 52 52 GLU CG C 13 35.16 0.05 . 1 . . . . A 31 GLU CG . 34488 1 257 . 1 . 1 52 52 GLU N N 15 119.59 0.05 . 1 . . . . A 31 GLU N . 34488 1 258 . 1 . 1 53 53 THR H H 1 8.51 0.02 . 1 . . . . A 32 THR H . 34488 1 259 . 1 . 1 53 53 THR HA H 1 4.42 0.02 . 1 . . . . A 32 THR HA . 34488 1 260 . 1 . 1 53 53 THR HB H 1 4.36 0.02 . 1 . . . . A 32 THR HB . 34488 1 261 . 1 . 1 53 53 THR HG21 H 1 1.41 0.02 . 1 . . . . A 32 THR HG21 . 34488 1 262 . 1 . 1 53 53 THR HG22 H 1 1.41 0.02 . 1 . . . . A 32 THR HG22 . 34488 1 263 . 1 . 1 53 53 THR HG23 H 1 1.41 0.02 . 1 . . . . A 32 THR HG23 . 34488 1 264 . 1 . 1 53 53 THR C C 13 175.11 0.05 . 1 . . . . A 32 THR C . 34488 1 265 . 1 . 1 53 53 THR CA C 13 62.49 0.05 . 1 . . . . A 32 THR CA . 34488 1 266 . 1 . 1 53 53 THR CB C 13 68.11 0.05 . 1 . . . . A 32 THR CB . 34488 1 267 . 1 . 1 53 53 THR CG2 C 13 21.23 0.05 . 1 . . . . A 32 THR CG2 . 34488 1 268 . 1 . 1 53 53 THR N N 15 111.27 0.05 . 1 . . . . A 32 THR N . 34488 1 269 . 1 . 1 54 54 ARG H H 1 8.6 0.02 . 1 . . . . A 33 ARG H . 34488 1 270 . 1 . 1 54 54 ARG HA H 1 3.95 0.02 . 1 . . . . A 33 ARG HA . 34488 1 271 . 1 . 1 54 54 ARG HB2 H 1 1.67 0.02 . 1 . . . . A 33 ARG HB2 . 34488 1 272 . 1 . 1 54 54 ARG HB3 H 1 1.67 0.02 . 1 . . . . A 33 ARG HB3 . 34488 1 273 . 1 . 1 54 54 ARG HG2 H 1 2.11 0.02 . 1 . . . . A 33 ARG HG2 . 34488 1 274 . 1 . 1 54 54 ARG HG3 H 1 2.11 0.02 . 1 . . . . A 33 ARG HG3 . 34488 1 275 . 1 . 1 54 54 ARG HD2 H 1 3.28 0.02 . 1 . . . . A 33 ARG HD2 . 34488 1 276 . 1 . 1 54 54 ARG HD3 H 1 3.28 0.02 . 1 . . . . A 33 ARG HD3 . 34488 1 277 . 1 . 1 54 54 ARG C C 13 171.88 0.05 . 1 . . . . A 33 ARG C . 34488 1 278 . 1 . 1 54 54 ARG CA C 13 56.18 0.05 . 1 . . . . A 33 ARG CA . 34488 1 279 . 1 . 1 54 54 ARG CB C 13 27.08 0.05 . 1 . . . . A 33 ARG CB . 34488 1 280 . 1 . 1 54 54 ARG CG C 13 27.16 0.05 . 1 . . . . A 33 ARG CG . 34488 1 281 . 1 . 1 54 54 ARG CD C 13 42.2 0.05 . 1 . . . . A 33 ARG CD . 34488 1 282 . 1 . 1 54 54 ARG N N 15 117.33 0.05 . 1 . . . . A 33 ARG N . 34488 1 283 . 1 . 1 55 55 THR H H 1 7.48 0.02 . 1 . . . . A 34 THR H . 34488 1 284 . 1 . 1 55 55 THR HA H 1 4.83 0.02 . 1 . . . . A 34 THR HA . 34488 1 285 . 1 . 1 55 55 THR HB H 1 4.77 0.02 . 1 . . . . A 34 THR HB . 34488 1 286 . 1 . 1 55 55 THR HG21 H 1 1.4 0.02 . 1 . . . . A 34 THR HG21 . 34488 1 287 . 1 . 1 55 55 THR HG22 H 1 1.4 0.02 . 1 . . . . A 34 THR HG22 . 34488 1 288 . 1 . 1 55 55 THR HG23 H 1 1.4 0.02 . 1 . . . . A 34 THR HG23 . 34488 1 289 . 1 . 1 55 55 THR C C 13 172.65 0.05 . 1 . . . . A 34 THR C . 34488 1 290 . 1 . 1 55 55 THR CA C 13 58.79 0.05 . 1 . . . . A 34 THR CA . 34488 1 291 . 1 . 1 55 55 THR CB C 13 71.14 0.05 . 1 . . . . A 34 THR CB . 34488 1 292 . 1 . 1 55 55 THR CG2 C 13 21.08 0.05 . 1 . . . . A 34 THR CG2 . 34488 1 293 . 1 . 1 55 55 THR N N 15 124.75 0.05 . 1 . . . . A 34 THR N . 34488 1 294 . 1 . 1 56 56 ILE H H 1 8.6 0.02 . 1 . . . . A 35 ILE H . 34488 1 295 . 1 . 1 56 56 ILE HA H 1 3.97 0.02 . 1 . . . . A 35 ILE HA . 34488 1 296 . 1 . 1 56 56 ILE HB H 1 1.95 0.02 . 1 . . . . A 35 ILE HB . 34488 1 297 . 1 . 1 56 56 ILE HG12 H 1 1.67 0.02 . 1 . . . . A 35 ILE HG12 . 34488 1 298 . 1 . 1 56 56 ILE HG13 H 1 1.48 0.02 . 1 . . . . A 35 ILE HG13 . 34488 1 299 . 1 . 1 56 56 ILE C C 13 175.29 0.05 . 1 . . . . A 35 ILE C . 34488 1 300 . 1 . 1 56 56 ILE CA C 13 62.08 0.05 . 1 . . . . A 35 ILE CA . 34488 1 301 . 1 . 1 56 56 ILE CB C 13 36.91 0.05 . 1 . . . . A 35 ILE CB . 34488 1 302 . 1 . 1 56 56 ILE CG1 C 13 27.8 0.05 . 1 . . . . A 35 ILE CG1 . 34488 1 303 . 1 . 1 56 56 ILE N N 15 120.26 0.05 . 1 . . . . A 35 ILE N . 34488 1 304 . 1 . 1 57 57 GLU H H 1 8.57 0.02 . 1 . . . . A 36 GLU H . 34488 1 305 . 1 . 1 57 57 GLU HA H 1 4.23 0.02 . 1 . . . . A 36 GLU HA . 34488 1 306 . 1 . 1 57 57 GLU HB2 H 1 2.14 0.02 . 1 . . . . A 36 GLU HB2 . 34488 1 307 . 1 . 1 57 57 GLU HB3 H 1 2.02 0.02 . 1 . . . . A 36 GLU HB3 . 34488 1 308 . 1 . 1 57 57 GLU HG2 H 1 2.54 0.02 . 1 . . . . A 36 GLU HG2 . 34488 1 309 . 1 . 1 57 57 GLU HG3 H 1 2.39 0.02 . 1 . . . . A 36 GLU HG3 . 34488 1 310 . 1 . 1 57 57 GLU C C 13 179.19 0.05 . 1 . . . . A 36 GLU C . 34488 1 311 . 1 . 1 57 57 GLU CA C 13 59.95 0.05 . 1 . . . . A 36 GLU CA . 34488 1 312 . 1 . 1 57 57 GLU CB C 13 27.8 0.05 . 1 . . . . A 36 GLU CB . 34488 1 313 . 1 . 1 57 57 GLU CG C 13 36.46 0.05 . 1 . . . . A 36 GLU CG . 34488 1 314 . 1 . 1 57 57 GLU N N 15 120.94 0.05 . 1 . . . . A 36 GLU N . 34488 1 315 . 1 . 1 58 58 GLU H H 1 7.72 0.02 . 1 . . . . A 37 GLU H . 34488 1 316 . 1 . 1 58 58 GLU HA H 1 4.39 0.02 . 1 . . . . A 37 GLU HA . 34488 1 317 . 1 . 1 58 58 GLU HB2 H 1 2.24 0.02 . 1 . . . . A 37 GLU HB2 . 34488 1 318 . 1 . 1 58 58 GLU HB3 H 1 2.17 0.02 . 1 . . . . A 37 GLU HB3 . 34488 1 319 . 1 . 1 58 58 GLU HG2 H 1 2.43 0.02 . 1 . . . . A 37 GLU HG2 . 34488 1 320 . 1 . 1 58 58 GLU HG3 H 1 2.39 0.02 . 1 . . . . A 37 GLU HG3 . 34488 1 321 . 1 . 1 58 58 GLU C C 13 179.65 0.05 . 1 . . . . A 37 GLU C . 34488 1 322 . 1 . 1 58 58 GLU CA C 13 58.38 0.05 . 1 . . . . A 37 GLU CA . 34488 1 323 . 1 . 1 58 58 GLU CB C 13 28.89 0.05 . 1 . . . . A 37 GLU CB . 34488 1 324 . 1 . 1 58 58 GLU CG C 13 37.31 0.05 . 1 . . . . A 37 GLU CG . 34488 1 325 . 1 . 1 58 58 GLU N N 15 118.32 0.05 . 1 . . . . A 37 GLU N . 34488 1 326 . 1 . 1 59 59 LEU H H 1 8.26 0.02 . 1 . . . . A 38 LEU H . 34488 1 327 . 1 . 1 59 59 LEU HA H 1 4.18 0.02 . 1 . . . . A 38 LEU HA . 34488 1 328 . 1 . 1 59 59 LEU HB2 H 1 1.67 0.02 . 1 . . . . A 38 LEU HB2 . 34488 1 329 . 1 . 1 59 59 LEU HB3 H 1 1.58 0.02 . 1 . . . . A 38 LEU HB3 . 34488 1 330 . 1 . 1 59 59 LEU HG H 1 1.8 0.02 . 1 . . . . A 38 LEU HG . 34488 1 331 . 1 . 1 59 59 LEU HD11 H 1 1.18 0.02 . 1 . . . . A 38 LEU HD11 . 34488 1 332 . 1 . 1 59 59 LEU HD12 H 1 1.18 0.02 . 1 . . . . A 38 LEU HD12 . 34488 1 333 . 1 . 1 59 59 LEU HD13 H 1 1.18 0.02 . 1 . . . . A 38 LEU HD13 . 34488 1 334 . 1 . 1 59 59 LEU HD21 H 1 1.09 0.02 . 1 . . . . A 38 LEU HD21 . 34488 1 335 . 1 . 1 59 59 LEU HD22 H 1 1.09 0.02 . 1 . . . . A 38 LEU HD22 . 34488 1 336 . 1 . 1 59 59 LEU HD23 H 1 1.09 0.02 . 1 . . . . A 38 LEU HD23 . 34488 1 337 . 1 . 1 59 59 LEU C C 13 177.17 0.05 . 1 . . . . A 38 LEU C . 34488 1 338 . 1 . 1 59 59 LEU CA C 13 57.3 0.05 . 1 . . . . A 38 LEU CA . 34488 1 339 . 1 . 1 59 59 LEU CB C 13 40.42 0.05 . 1 . . . . A 38 LEU CB . 34488 1 340 . 1 . 1 59 59 LEU CG C 13 26.63 0.05 . 1 . . . . A 38 LEU CG . 34488 1 341 . 1 . 1 59 59 LEU CD1 C 13 22.76 0.05 . 1 . . . . A 38 LEU CD1 . 34488 1 342 . 1 . 1 59 59 LEU CD2 C 13 26.18 0.05 . 1 . . . . A 38 LEU CD2 . 34488 1 343 . 1 . 1 59 59 LEU N N 15 124.13 0.05 . 1 . . . . A 38 LEU N . 34488 1 344 . 1 . 1 60 60 ASP H H 1 9.07 0.02 . 1 . . . . A 39 ASP H . 34488 1 345 . 1 . 1 60 60 ASP HA H 1 4.84 0.02 . 1 . . . . A 39 ASP HA . 34488 1 346 . 1 . 1 60 60 ASP HB2 H 1 2.93 0.02 . 1 . . . . A 39 ASP HB2 . 34488 1 347 . 1 . 1 60 60 ASP HB3 H 1 2.69 0.02 . 1 . . . . A 39 ASP HB3 . 34488 1 348 . 1 . 1 60 60 ASP C C 13 178.97 0.05 . 1 . . . . A 39 ASP C . 34488 1 349 . 1 . 1 60 60 ASP CA C 13 57.3 0.05 . 1 . . . . A 39 ASP CA . 34488 1 350 . 1 . 1 60 60 ASP CB C 13 39.02 0.05 . 1 . . . . A 39 ASP CB . 34488 1 351 . 1 . 1 60 60 ASP N N 15 121.63 0.05 . 1 . . . . A 39 ASP N . 34488 1 352 . 1 . 1 61 61 THR H H 1 7.82 0.02 . 1 . . . . A 40 THR H . 34488 1 353 . 1 . 1 61 61 THR HA H 1 3.95 0.02 . 1 . . . . A 40 THR HA . 34488 1 354 . 1 . 1 61 61 THR HB H 1 4.44 0.02 . 1 . . . . A 40 THR HB . 34488 1 355 . 1 . 1 61 61 THR HG21 H 1 1.34 0.02 . 1 . . . . A 40 THR HG21 . 34488 1 356 . 1 . 1 61 61 THR HG22 H 1 1.34 0.02 . 1 . . . . A 40 THR HG22 . 34488 1 357 . 1 . 1 61 61 THR HG23 H 1 1.34 0.02 . 1 . . . . A 40 THR HG23 . 34488 1 358 . 1 . 1 61 61 THR C C 13 174.38 0.05 . 1 . . . . A 40 THR C . 34488 1 359 . 1 . 1 61 61 THR CA C 13 66.23 0.05 . 1 . . . . A 40 THR CA . 34488 1 360 . 1 . 1 61 61 THR CB C 13 68.11 0.05 . 1 . . . . A 40 THR CB . 34488 1 361 . 1 . 1 61 61 THR CG2 C 13 21.42 0.05 . 1 . . . . A 40 THR CG2 . 34488 1 362 . 1 . 1 61 61 THR N N 15 117.71 0.05 . 1 . . . . A 40 THR N . 34488 1 363 . 1 . 1 62 62 PHE H H 1 7.88 0.02 . 1 . . . . A 41 PHE H . 34488 1 364 . 1 . 1 62 62 PHE HA H 1 4.55 0.02 . 1 . . . . A 41 PHE HA . 34488 1 365 . 1 . 1 62 62 PHE HB2 H 1 3.56 0.02 . 1 . . . . A 41 PHE HB2 . 34488 1 366 . 1 . 1 62 62 PHE HB3 H 1 3.21 0.02 . 1 . . . . A 41 PHE HB3 . 34488 1 367 . 1 . 1 62 62 PHE HD1 H 1 7.14 0.02 . 1 . . . . A 41 PHE HD1 . 34488 1 368 . 1 . 1 62 62 PHE HD2 H 1 7.14 0.02 . 1 . . . . A 41 PHE HD2 . 34488 1 369 . 1 . 1 62 62 PHE HE1 H 1 7.01 0.02 . 1 . . . . A 41 PHE HE1 . 34488 1 370 . 1 . 1 62 62 PHE HE2 H 1 7.01 0.02 . 1 . . . . A 41 PHE HE2 . 34488 1 371 . 1 . 1 62 62 PHE HZ H 1 7.15 0.02 . 1 . . . . A 41 PHE HZ . 34488 1 372 . 1 . 1 62 62 PHE C C 13 176.16 0.05 . 1 . . . . A 41 PHE C . 34488 1 373 . 1 . 1 62 62 PHE CA C 13 60.9 0.05 . 1 . . . . A 41 PHE CA . 34488 1 374 . 1 . 1 62 62 PHE CB C 13 39 0.05 . 1 . . . . A 41 PHE CB . 34488 1 375 . 1 . 1 62 62 PHE CD1 C 13 131.4 0.05 . 1 . . . . A 41 PHE CD1 . 34488 1 376 . 1 . 1 62 62 PHE CD2 C 13 131.4 0.05 . 1 . . . . A 41 PHE CD2 . 34488 1 377 . 1 . 1 62 62 PHE CE1 C 13 130.5 0.05 . 1 . . . . A 41 PHE CE1 . 34488 1 378 . 1 . 1 62 62 PHE CE2 C 13 130.5 0.05 . 1 . . . . A 41 PHE CE2 . 34488 1 379 . 1 . 1 62 62 PHE CZ C 13 129.1 0.05 . 1 . . . . A 41 PHE CZ . 34488 1 380 . 1 . 1 62 62 PHE N N 15 121.11 0.05 . 1 . . . . A 41 PHE N . 34488 1 381 . 1 . 1 63 63 LYS H H 1 9.03 0.02 . 1 . . . . A 42 LYS H . 34488 1 382 . 1 . 1 63 63 LYS HA H 1 3.72 0.02 . 1 . . . . A 42 LYS HA . 34488 1 383 . 1 . 1 63 63 LYS HB2 H 1 2.15 0.02 . 1 . . . . A 42 LYS HB2 . 34488 1 384 . 1 . 1 63 63 LYS HB3 H 1 1.99 0.02 . 1 . . . . A 42 LYS HB3 . 34488 1 385 . 1 . 1 63 63 LYS HG2 H 1 2.04 0.02 . 1 . . . . A 42 LYS HG2 . 34488 1 386 . 1 . 1 63 63 LYS HG3 H 1 1.54 0.02 . 1 . . . . A 42 LYS HG3 . 34488 1 387 . 1 . 1 63 63 LYS HD2 H 1 1.86 0.02 . 1 . . . . A 42 LYS HD2 . 34488 1 388 . 1 . 1 63 63 LYS HD3 H 1 1.73 0.02 . 1 . . . . A 42 LYS HD3 . 34488 1 389 . 1 . 1 63 63 LYS HE2 H 1 3.03 0.02 . 1 . . . . A 42 LYS HE2 . 34488 1 390 . 1 . 1 63 63 LYS HE3 H 1 2.98 0.02 . 1 . . . . A 42 LYS HE3 . 34488 1 391 . 1 . 1 63 63 LYS C C 13 178.37 0.05 . 1 . . . . A 42 LYS C . 34488 1 392 . 1 . 1 63 63 LYS CA C 13 60.4 0.05 . 1 . . . . A 42 LYS CA . 34488 1 393 . 1 . 1 63 63 LYS CB C 13 31.6 0.05 . 1 . . . . A 42 LYS CB . 34488 1 394 . 1 . 1 63 63 LYS CG C 13 26.34 0.05 . 1 . . . . A 42 LYS CG . 34488 1 395 . 1 . 1 63 63 LYS CD C 13 29.35 0.05 . 1 . . . . A 42 LYS CD . 34488 1 396 . 1 . 1 63 63 LYS CE C 13 40.86 0.05 . 1 . . . . A 42 LYS CE . 34488 1 397 . 1 . 1 63 63 LYS N N 15 117.29 0.05 . 1 . . . . A 42 LYS N . 34488 1 398 . 1 . 1 64 64 LEU H H 1 8.12 0.02 . 1 . . . . A 43 LEU H . 34488 1 399 . 1 . 1 64 64 LEU HA H 1 4.17 0.02 . 1 . . . . A 43 LEU HA . 34488 1 400 . 1 . 1 64 64 LEU HB2 H 1 1.87 0.02 . 1 . . . . A 43 LEU HB2 . 34488 1 401 . 1 . 1 64 64 LEU HB3 H 1 1.69 0.02 . 1 . . . . A 43 LEU HB3 . 34488 1 402 . 1 . 1 64 64 LEU HD11 H 1 0.99 0.02 . 1 . . . . A 43 LEU HD11 . 34488 1 403 . 1 . 1 64 64 LEU HD12 H 1 0.99 0.02 . 1 . . . . A 43 LEU HD12 . 34488 1 404 . 1 . 1 64 64 LEU HD13 H 1 0.99 0.02 . 1 . . . . A 43 LEU HD13 . 34488 1 405 . 1 . 1 64 64 LEU HD21 H 1 0.98 0.02 . 1 . . . . A 43 LEU HD21 . 34488 1 406 . 1 . 1 64 64 LEU HD22 H 1 0.98 0.02 . 1 . . . . A 43 LEU HD22 . 34488 1 407 . 1 . 1 64 64 LEU HD23 H 1 0.98 0.02 . 1 . . . . A 43 LEU HD23 . 34488 1 408 . 1 . 1 64 64 LEU C C 13 178.23 0.05 . 1 . . . . A 43 LEU C . 34488 1 409 . 1 . 1 64 64 LEU CA C 13 57.31 0.05 . 1 . . . . A 43 LEU CA . 34488 1 410 . 1 . 1 64 64 LEU CB C 13 40.78 0.05 . 1 . . . . A 43 LEU CB . 34488 1 411 . 1 . 1 64 64 LEU CG C 13 26.01 0.05 . 1 . . . . A 43 LEU CG . 34488 1 412 . 1 . 1 64 64 LEU CD1 C 13 24.17 0.05 . 1 . . . . A 43 LEU CD1 . 34488 1 413 . 1 . 1 64 64 LEU CD2 C 13 22.99 0.05 . 1 . . . . A 43 LEU CD2 . 34488 1 414 . 1 . 1 64 64 LEU N N 15 121.9 0.05 . 1 . . . . A 43 LEU N . 34488 1 415 . 1 . 1 65 65 ASP H H 1 8.25 0.02 . 1 . . . . A 44 ASP H . 34488 1 416 . 1 . 1 65 65 ASP HA H 1 4.6 0.02 . 1 . . . . A 44 ASP HA . 34488 1 417 . 1 . 1 65 65 ASP HB2 H 1 3.01 0.02 . 1 . . . . A 44 ASP HB2 . 34488 1 418 . 1 . 1 65 65 ASP HB3 H 1 2.55 0.02 . 1 . . . . A 44 ASP HB3 . 34488 1 419 . 1 . 1 65 65 ASP C C 13 179.55 0.05 . 1 . . . . A 44 ASP C . 34488 1 420 . 1 . 1 65 65 ASP CA C 13 56.01 0.05 . 1 . . . . A 44 ASP CA . 34488 1 421 . 1 . 1 65 65 ASP CB C 13 37.59 0.05 . 1 . . . . A 44 ASP CB . 34488 1 422 . 1 . 1 65 65 ASP N N 15 120.18 0.05 . 1 . . . . A 44 ASP N . 34488 1 423 . 1 . 1 66 66 VAL H H 1 8.51 0.02 . 1 . . . . A 45 VAL H . 34488 1 424 . 1 . 1 66 66 VAL HA H 1 3.54 0.02 . 1 . . . . A 45 VAL HA . 34488 1 425 . 1 . 1 66 66 VAL HB H 1 1.98 0.02 . 1 . . . . A 45 VAL HB . 34488 1 426 . 1 . 1 66 66 VAL HG11 H 1 0.92 0.02 . 1 . . . . A 45 VAL HG11 . 34488 1 427 . 1 . 1 66 66 VAL HG12 H 1 0.92 0.02 . 1 . . . . A 45 VAL HG12 . 34488 1 428 . 1 . 1 66 66 VAL HG13 H 1 0.92 0.02 . 1 . . . . A 45 VAL HG13 . 34488 1 429 . 1 . 1 66 66 VAL HG21 H 1 0.34 0.02 . 1 . . . . A 45 VAL HG21 . 34488 1 430 . 1 . 1 66 66 VAL HG22 H 1 0.34 0.02 . 1 . . . . A 45 VAL HG22 . 34488 1 431 . 1 . 1 66 66 VAL HG23 H 1 0.34 0.02 . 1 . . . . A 45 VAL HG23 . 34488 1 432 . 1 . 1 66 66 VAL C C 13 177.09 0.05 . 1 . . . . A 45 VAL C . 34488 1 433 . 1 . 1 66 66 VAL CA C 13 66.46 0.05 . 1 . . . . A 45 VAL CA . 34488 1 434 . 1 . 1 66 66 VAL CB C 13 30.37 0.05 . 1 . . . . A 45 VAL CB . 34488 1 435 . 1 . 1 66 66 VAL CG1 C 13 21.16 0.05 . 1 . . . . A 45 VAL CG1 . 34488 1 436 . 1 . 1 66 66 VAL CG2 C 13 22.29 0.05 . 1 . . . . A 45 VAL CG2 . 34488 1 437 . 1 . 1 66 66 VAL N N 15 122.78 0.05 . 1 . . . . A 45 VAL N . 34488 1 438 . 1 . 1 67 67 ALA H H 1 8.1 0.02 . 1 . . . . A 46 ALA H . 34488 1 439 . 1 . 1 67 67 ALA HA H 1 4.18 0.02 . 1 . . . . A 46 ALA HA . 34488 1 440 . 1 . 1 67 67 ALA HB1 H 1 1.66 0.02 . 1 . . . . A 46 ALA HB1 . 34488 1 441 . 1 . 1 67 67 ALA HB2 H 1 1.66 0.02 . 1 . . . . A 46 ALA HB2 . 34488 1 442 . 1 . 1 67 67 ALA HB3 H 1 1.66 0.02 . 1 . . . . A 46 ALA HB3 . 34488 1 443 . 1 . 1 67 67 ALA C C 13 180.35 0.05 . 1 . . . . A 46 ALA C . 34488 1 444 . 1 . 1 67 67 ALA CA C 13 54.81 0.05 . 1 . . . . A 46 ALA CA . 34488 1 445 . 1 . 1 67 67 ALA CB C 13 16.97 0.05 . 1 . . . . A 46 ALA CB . 34488 1 446 . 1 . 1 67 67 ALA N N 15 122.71 0.05 . 1 . . . . A 46 ALA N . 34488 1 447 . 1 . 1 68 68 ASP H H 1 8.26 0.02 . 1 . . . . A 47 ASP H . 34488 1 448 . 1 . 1 68 68 ASP HA H 1 4.46 0.02 . 1 . . . . A 47 ASP HA . 34488 1 449 . 1 . 1 68 68 ASP HB2 H 1 2.97 0.02 . 1 . . . . A 47 ASP HB2 . 34488 1 450 . 1 . 1 68 68 ASP HB3 H 1 2.78 0.02 . 1 . . . . A 47 ASP HB3 . 34488 1 451 . 1 . 1 68 68 ASP C C 13 178.14 0.05 . 1 . . . . A 47 ASP C . 34488 1 452 . 1 . 1 68 68 ASP CA C 13 56.52 0.05 . 1 . . . . A 47 ASP CA . 34488 1 453 . 1 . 1 68 68 ASP CB C 13 40.05 0.05 . 1 . . . . A 47 ASP CB . 34488 1 454 . 1 . 1 68 68 ASP N N 15 118.82 0.05 . 1 . . . . A 47 ASP N . 34488 1 455 . 1 . 1 69 69 PHE H H 1 7.9 0.02 . 1 . . . . A 48 PHE H . 34488 1 456 . 1 . 1 69 69 PHE HA H 1 4.23 0.02 . 1 . . . . A 48 PHE HA . 34488 1 457 . 1 . 1 69 69 PHE HB2 H 1 3.56 0.02 . 1 . . . . A 48 PHE HB2 . 34488 1 458 . 1 . 1 69 69 PHE HB3 H 1 3.09 0.02 . 1 . . . . A 48 PHE HB3 . 34488 1 459 . 1 . 1 69 69 PHE HD1 H 1 7.09 0.02 . 1 . . . . A 48 PHE HD1 . 34488 1 460 . 1 . 1 69 69 PHE HD2 H 1 7.09 0.02 . 1 . . . . A 48 PHE HD2 . 34488 1 461 . 1 . 1 69 69 PHE HE1 H 1 7.34 0.02 . 1 . . . . A 48 PHE HE1 . 34488 1 462 . 1 . 1 69 69 PHE HE2 H 1 7.34 0.02 . 1 . . . . A 48 PHE HE2 . 34488 1 463 . 1 . 1 69 69 PHE HZ H 1 7.17 0.02 . 1 . . . . A 48 PHE HZ . 34488 1 464 . 1 . 1 69 69 PHE C C 13 176.41 0.05 . 1 . . . . A 48 PHE C . 34488 1 465 . 1 . 1 69 69 PHE CA C 13 61.01 0.05 . 1 . . . . A 48 PHE CA . 34488 1 466 . 1 . 1 69 69 PHE CB C 13 39.33 0.05 . 1 . . . . A 48 PHE CB . 34488 1 467 . 1 . 1 69 69 PHE CD1 C 13 131.09 0.05 . 1 . . . . A 48 PHE CD1 . 34488 1 468 . 1 . 1 69 69 PHE CD2 C 13 131.09 0.05 . 1 . . . . A 48 PHE CD2 . 34488 1 469 . 1 . 1 69 69 PHE CE1 C 13 131.05 0.05 . 1 . . . . A 48 PHE CE1 . 34488 1 470 . 1 . 1 69 69 PHE CE2 C 13 131.05 0.05 . 1 . . . . A 48 PHE CE2 . 34488 1 471 . 1 . 1 69 69 PHE CZ C 13 129.1 0.05 . 1 . . . . A 48 PHE CZ . 34488 1 472 . 1 . 1 69 69 PHE N N 15 122.92 0.05 . 1 . . . . A 48 PHE N . 34488 1 473 . 1 . 1 70 70 VAL H H 1 8.9 0.02 . 1 . . . . A 49 VAL H . 34488 1 474 . 1 . 1 70 70 VAL HA H 1 3.55 0.02 . 1 . . . . A 49 VAL HA . 34488 1 475 . 1 . 1 70 70 VAL HB H 1 2.39 0.02 . 1 . . . . A 49 VAL HB . 34488 1 476 . 1 . 1 70 70 VAL HG11 H 1 1.06 0.02 . 1 . . . . A 49 VAL HG11 . 34488 1 477 . 1 . 1 70 70 VAL HG12 H 1 1.06 0.02 . 1 . . . . A 49 VAL HG12 . 34488 1 478 . 1 . 1 70 70 VAL HG13 H 1 1.06 0.02 . 1 . . . . A 49 VAL HG13 . 34488 1 479 . 1 . 1 70 70 VAL HG21 H 1 1.2 0.02 . 1 . . . . A 49 VAL HG21 . 34488 1 480 . 1 . 1 70 70 VAL HG22 H 1 1.2 0.02 . 1 . . . . A 49 VAL HG22 . 34488 1 481 . 1 . 1 70 70 VAL HG23 H 1 1.2 0.02 . 1 . . . . A 49 VAL HG23 . 34488 1 482 . 1 . 1 70 70 VAL C C 13 176.93 0.05 . 1 . . . . A 49 VAL C . 34488 1 483 . 1 . 1 70 70 VAL CA C 13 66.64 0.05 . 1 . . . . A 49 VAL CA . 34488 1 484 . 1 . 1 70 70 VAL CB C 13 30.64 0.05 . 1 . . . . A 49 VAL CB . 34488 1 485 . 1 . 1 70 70 VAL CG1 C 13 21.54 0.05 . 1 . . . . A 49 VAL CG1 . 34488 1 486 . 1 . 1 70 70 VAL CG2 C 13 22.32 0.05 . 1 . . . . A 49 VAL CG2 . 34488 1 487 . 1 . 1 70 70 VAL N N 15 118.64 0.05 . 1 . . . . A 49 VAL N . 34488 1 488 . 1 . 1 71 71 THR H H 1 8.49 0.02 . 1 . . . . A 50 THR H . 34488 1 489 . 1 . 1 71 71 THR HA H 1 3.94 0.02 . 1 . . . . A 50 THR HA . 34488 1 490 . 1 . 1 71 71 THR HB H 1 4.44 0.02 . 1 . . . . A 50 THR HB . 34488 1 491 . 1 . 1 71 71 THR HG21 H 1 1.34 0.02 . 1 . . . . A 50 THR HG21 . 34488 1 492 . 1 . 1 71 71 THR HG22 H 1 1.34 0.02 . 1 . . . . A 50 THR HG22 . 34488 1 493 . 1 . 1 71 71 THR HG23 H 1 1.34 0.02 . 1 . . . . A 50 THR HG23 . 34488 1 494 . 1 . 1 71 71 THR C C 13 176.08 0.05 . 1 . . . . A 50 THR C . 34488 1 495 . 1 . 1 71 71 THR CA C 13 66.19 0.05 . 1 . . . . A 50 THR CA . 34488 1 496 . 1 . 1 71 71 THR CB C 13 67.93 0.05 . 1 . . . . A 50 THR CB . 34488 1 497 . 1 . 1 71 71 THR CG2 C 13 22.41 0.05 . 1 . . . . A 50 THR CG2 . 34488 1 498 . 1 . 1 71 71 THR N N 15 115.17 0.05 . 1 . . . . A 50 THR N . 34488 1 499 . 1 . 1 72 72 THR H H 1 7.82 0.02 . 1 . . . . A 51 THR H . 34488 1 500 . 1 . 1 72 72 THR HA H 1 3.96 0.02 . 1 . . . . A 51 THR HA . 34488 1 501 . 1 . 1 72 72 THR HB H 1 4.44 0.02 . 1 . . . . A 51 THR HB . 34488 1 502 . 1 . 1 72 72 THR HG21 H 1 1.34 0.02 . 1 . . . . A 51 THR HG21 . 34488 1 503 . 1 . 1 72 72 THR HG22 H 1 1.34 0.02 . 1 . . . . A 51 THR HG22 . 34488 1 504 . 1 . 1 72 72 THR HG23 H 1 1.34 0.02 . 1 . . . . A 51 THR HG23 . 34488 1 505 . 1 . 1 72 72 THR C C 13 176.08 0.05 . 1 . . . . A 51 THR C . 34488 1 506 . 1 . 1 72 72 THR CA C 13 66.6 0.05 . 1 . . . . A 51 THR CA . 34488 1 507 . 1 . 1 72 72 THR CB C 13 67.38 0.05 . 1 . . . . A 51 THR CB . 34488 1 508 . 1 . 1 72 72 THR CG2 C 13 20.91 0.05 . 1 . . . . A 51 THR CG2 . 34488 1 509 . 1 . 1 72 72 THR N N 15 118.59 0.05 . 1 . . . . A 51 THR N . 34488 1 510 . 1 . 1 73 73 VAL H H 1 8.4 0.02 . 1 . . . . A 52 VAL H . 34488 1 511 . 1 . 1 73 73 VAL HA H 1 3.6 0.02 . 1 . . . . A 52 VAL HA . 34488 1 512 . 1 . 1 73 73 VAL HB H 1 2.25 0.02 . 1 . . . . A 52 VAL HB . 34488 1 513 . 1 . 1 73 73 VAL HG11 H 1 0.87 0.02 . 1 . . . . A 52 VAL HG11 . 34488 1 514 . 1 . 1 73 73 VAL HG12 H 1 0.87 0.02 . 1 . . . . A 52 VAL HG12 . 34488 1 515 . 1 . 1 73 73 VAL HG13 H 1 0.87 0.02 . 1 . . . . A 52 VAL HG13 . 34488 1 516 . 1 . 1 73 73 VAL HG21 H 1 0.95 0.02 . 1 . . . . A 52 VAL HG21 . 34488 1 517 . 1 . 1 73 73 VAL HG22 H 1 0.95 0.02 . 1 . . . . A 52 VAL HG22 . 34488 1 518 . 1 . 1 73 73 VAL HG23 H 1 0.95 0.02 . 1 . . . . A 52 VAL HG23 . 34488 1 519 . 1 . 1 73 73 VAL C C 13 179.02 0.05 . 1 . . . . A 52 VAL C . 34488 1 520 . 1 . 1 73 73 VAL CA C 13 65.94 0.05 . 1 . . . . A 52 VAL CA . 34488 1 521 . 1 . 1 73 73 VAL CB C 13 30.37 0.05 . 1 . . . . A 52 VAL CB . 34488 1 522 . 1 . 1 73 73 VAL CG1 C 13 22.56 0.05 . 1 . . . . A 52 VAL CG1 . 34488 1 523 . 1 . 1 73 73 VAL CG2 C 13 21.29 0.05 . 1 . . . . A 52 VAL CG2 . 34488 1 524 . 1 . 1 73 73 VAL N N 15 121.01 0.05 . 1 . . . . A 52 VAL N . 34488 1 525 . 1 . 1 74 74 VAL H H 1 8.49 0.02 . 1 . . . . A 53 VAL H . 34488 1 526 . 1 . 1 74 74 VAL HA H 1 3.65 0.02 . 1 . . . . A 53 VAL HA . 34488 1 527 . 1 . 1 74 74 VAL HB H 1 2.25 0.02 . 1 . . . . A 53 VAL HB . 34488 1 528 . 1 . 1 74 74 VAL HG11 H 1 1.08 0.02 . 1 . . . . A 53 VAL HG11 . 34488 1 529 . 1 . 1 74 74 VAL HG12 H 1 1.08 0.02 . 1 . . . . A 53 VAL HG12 . 34488 1 530 . 1 . 1 74 74 VAL HG13 H 1 1.08 0.02 . 1 . . . . A 53 VAL HG13 . 34488 1 531 . 1 . 1 74 74 VAL HG21 H 1 1.1 0.02 . 1 . . . . A 53 VAL HG21 . 34488 1 532 . 1 . 1 74 74 VAL HG22 H 1 1.1 0.02 . 1 . . . . A 53 VAL HG22 . 34488 1 533 . 1 . 1 74 74 VAL HG23 H 1 1.1 0.02 . 1 . . . . A 53 VAL HG23 . 34488 1 534 . 1 . 1 74 74 VAL C C 13 178.33 0.05 . 1 . . . . A 53 VAL C . 34488 1 535 . 1 . 1 74 74 VAL CA C 13 66.31 0.05 . 1 . . . . A 53 VAL CA . 34488 1 536 . 1 . 1 74 74 VAL CB C 13 30.63 0.05 . 1 . . . . A 53 VAL CB . 34488 1 537 . 1 . 1 74 74 VAL CG1 C 13 20.63 0.05 . 1 . . . . A 53 VAL CG1 . 34488 1 538 . 1 . 1 74 74 VAL CG2 C 13 22.29 0.05 . 1 . . . . A 53 VAL CG2 . 34488 1 539 . 1 . 1 74 74 VAL N N 15 120.38 0.05 . 1 . . . . A 53 VAL N . 34488 1 540 . 1 . 1 75 75 GLN H H 1 7.84 0.02 . 1 . . . . A 54 GLN H . 34488 1 541 . 1 . 1 75 75 GLN HA H 1 4.23 0.02 . 1 . . . . A 54 GLN HA . 34488 1 542 . 1 . 1 75 75 GLN HB2 H 1 2.34 0.02 . 1 . . . . A 54 GLN HB2 . 34488 1 543 . 1 . 1 75 75 GLN HB3 H 1 2.27 0.02 . 1 . . . . A 54 GLN HB3 . 34488 1 544 . 1 . 1 75 75 GLN HG2 H 1 2.69 0.02 . 1 . . . . A 54 GLN HG2 . 34488 1 545 . 1 . 1 75 75 GLN HG3 H 1 2.5 0.02 . 1 . . . . A 54 GLN HG3 . 34488 1 546 . 1 . 1 75 75 GLN C C 13 179.04 0.05 . 1 . . . . A 54 GLN C . 34488 1 547 . 1 . 1 75 75 GLN CA C 13 58.24 0.05 . 1 . . . . A 54 GLN CA . 34488 1 548 . 1 . 1 75 75 GLN CB C 13 27.38 0.05 . 1 . . . . A 54 GLN CB . 34488 1 549 . 1 . 1 75 75 GLN CG C 13 33.3 0.05 . 1 . . . . A 54 GLN CG . 34488 1 550 . 1 . 1 75 75 GLN N N 15 118.94 0.05 . 1 . . . . A 54 GLN N . 34488 1 551 . 1 . 1 76 76 LEU H H 1 8.07 0.02 . 1 . . . . A 55 LEU H . 34488 1 552 . 1 . 1 76 76 LEU HA H 1 4.31 0.02 . 1 . . . . A 55 LEU HA . 34488 1 553 . 1 . 1 76 76 LEU HB2 H 1 2.01 0.02 . 1 . . . . A 55 LEU HB2 . 34488 1 554 . 1 . 1 76 76 LEU HB3 H 1 1.67 0.02 . 1 . . . . A 55 LEU HB3 . 34488 1 555 . 1 . 1 76 76 LEU HG H 1 1.94 0.02 . 1 . . . . A 55 LEU HG . 34488 1 556 . 1 . 1 76 76 LEU HD11 H 1 1.01 0.02 . 1 . . . . A 55 LEU HD11 . 34488 1 557 . 1 . 1 76 76 LEU HD12 H 1 1.01 0.02 . 1 . . . . A 55 LEU HD12 . 34488 1 558 . 1 . 1 76 76 LEU HD13 H 1 1.01 0.02 . 1 . . . . A 55 LEU HD13 . 34488 1 559 . 1 . 1 76 76 LEU HD21 H 1 0.78 0.02 . 1 . . . . A 55 LEU HD21 . 34488 1 560 . 1 . 1 76 76 LEU HD22 H 1 0.78 0.02 . 1 . . . . A 55 LEU HD22 . 34488 1 561 . 1 . 1 76 76 LEU HD23 H 1 0.78 0.02 . 1 . . . . A 55 LEU HD23 . 34488 1 562 . 1 . 1 76 76 LEU C C 13 178.09 0.05 . 1 . . . . A 55 LEU C . 34488 1 563 . 1 . 1 76 76 LEU CA C 13 56.24 0.05 . 1 . . . . A 55 LEU CA . 34488 1 564 . 1 . 1 76 76 LEU CB C 13 41.1 0.05 . 1 . . . . A 55 LEU CB . 34488 1 565 . 1 . 1 76 76 LEU CG C 13 25.83 0.05 . 1 . . . . A 55 LEU CG . 34488 1 566 . 1 . 1 76 76 LEU CD1 C 13 22.64 0.05 . 1 . . . . A 55 LEU CD1 . 34488 1 567 . 1 . 1 76 76 LEU CD2 C 13 24.34 0.05 . 1 . . . . A 55 LEU CD2 . 34488 1 568 . 1 . 1 76 76 LEU N N 15 119.99 0.05 . 1 . . . . A 55 LEU N . 34488 1 569 . 1 . 1 77 77 ALA H H 1 8.26 0.02 . 1 . . . . A 56 ALA H . 34488 1 570 . 1 . 1 77 77 ALA HA H 1 4.16 0.02 . 1 . . . . A 56 ALA HA . 34488 1 571 . 1 . 1 77 77 ALA HB1 H 1 1.67 0.02 . 1 . . . . A 56 ALA HB1 . 34488 1 572 . 1 . 1 77 77 ALA HB2 H 1 1.67 0.02 . 1 . . . . A 56 ALA HB2 . 34488 1 573 . 1 . 1 77 77 ALA HB3 H 1 1.67 0.02 . 1 . . . . A 56 ALA HB3 . 34488 1 574 . 1 . 1 77 77 ALA C C 13 179.55 0.05 . 1 . . . . A 56 ALA C . 34488 1 575 . 1 . 1 77 77 ALA CA C 13 54.57 0.05 . 1 . . . . A 56 ALA CA . 34488 1 576 . 1 . 1 77 77 ALA CB C 13 17.57 0.05 . 1 . . . . A 56 ALA CB . 34488 1 577 . 1 . 1 77 77 ALA N N 15 121.85 0.05 . 1 . . . . A 56 ALA N . 34488 1 578 . 1 . 1 78 78 GLU H H 1 8.31 0.02 . 1 . . . . A 57 GLU H . 34488 1 579 . 1 . 1 78 78 GLU HA H 1 4.2 0.02 . 1 . . . . A 57 GLU HA . 34488 1 580 . 1 . 1 78 78 GLU HB2 H 1 2.19 0.02 . 1 . . . . A 57 GLU HB2 . 34488 1 581 . 1 . 1 78 78 GLU HB3 H 1 2.11 0.02 . 1 . . . . A 57 GLU HB3 . 34488 1 582 . 1 . 1 78 78 GLU HG2 H 1 2.4 0.02 . 1 . . . . A 57 GLU HG2 . 34488 1 583 . 1 . 1 78 78 GLU HG3 H 1 2.4 0.02 . 1 . . . . A 57 GLU HG3 . 34488 1 584 . 1 . 1 78 78 GLU C C 13 178.15 0.05 . 1 . . . . A 57 GLU C . 34488 1 585 . 1 . 1 78 78 GLU CA C 13 58.33 0.05 . 1 . . . . A 57 GLU CA . 34488 1 586 . 1 . 1 78 78 GLU CB C 13 28.94 0.05 . 1 . . . . A 57 GLU CB . 34488 1 587 . 1 . 1 78 78 GLU CG C 13 35.83 0.05 . 1 . . . . A 57 GLU CG . 34488 1 588 . 1 . 1 78 78 GLU N N 15 117.29 0.05 . 1 . . . . A 57 GLU N . 34488 1 589 . 1 . 1 79 79 GLU H H 1 8.09 0.02 . 1 . . . . A 58 GLU H . 34488 1 590 . 1 . 1 79 79 GLU HA H 1 4.3 0.02 . 1 . . . . A 58 GLU HA . 34488 1 591 . 1 . 1 79 79 GLU HB3 H 1 2.27 0.02 . 1 . . . . A 58 GLU HB3 . 34488 1 592 . 1 . 1 79 79 GLU HG3 H 1 2.43 0.02 . 1 . . . . A 58 GLU HG3 . 34488 1 593 . 1 . 1 79 79 GLU C C 13 178.29 0.05 . 1 . . . . A 58 GLU C . 34488 1 594 . 1 . 1 79 79 GLU CA C 13 58.07 0.05 . 1 . . . . A 58 GLU CA . 34488 1 595 . 1 . 1 79 79 GLU CB C 13 28.9 0.05 . 1 . . . . A 58 GLU CB . 34488 1 596 . 1 . 1 79 79 GLU CG C 13 35.28 0.05 . 1 . . . . A 58 GLU CG . 34488 1 597 . 1 . 1 79 79 GLU N N 15 119.69 0.05 . 1 . . . . A 58 GLU N . 34488 1 598 . 1 . 1 80 80 LEU H H 1 8.29 0.02 . 1 . . . . A 59 LEU H . 34488 1 599 . 1 . 1 80 80 LEU HA H 1 4.32 0.02 . 1 . . . . A 59 LEU HA . 34488 1 600 . 1 . 1 80 80 LEU HB2 H 1 1.74 0.02 . 1 . . . . A 59 LEU HB2 . 34488 1 601 . 1 . 1 80 80 LEU HB3 H 1 1.67 0.02 . 1 . . . . A 59 LEU HB3 . 34488 1 602 . 1 . 1 80 80 LEU HD11 H 1 1.02 0.02 . 1 . . . . A 59 LEU HD11 . 34488 1 603 . 1 . 1 80 80 LEU HD12 H 1 1.02 0.02 . 1 . . . . A 59 LEU HD12 . 34488 1 604 . 1 . 1 80 80 LEU HD13 H 1 1.02 0.02 . 1 . . . . A 59 LEU HD13 . 34488 1 605 . 1 . 1 80 80 LEU HD21 H 1 0.81 0.02 . 1 . . . . A 59 LEU HD21 . 34488 1 606 . 1 . 1 80 80 LEU HD22 H 1 0.81 0.02 . 1 . . . . A 59 LEU HD22 . 34488 1 607 . 1 . 1 80 80 LEU HD23 H 1 0.81 0.02 . 1 . . . . A 59 LEU HD23 . 34488 1 608 . 1 . 1 80 80 LEU C C 13 178.2 0.05 . 1 . . . . A 59 LEU C . 34488 1 609 . 1 . 1 80 80 LEU CA C 13 56.38 0.05 . 1 . . . . A 59 LEU CA . 34488 1 610 . 1 . 1 80 80 LEU CB C 13 41.03 0.05 . 1 . . . . A 59 LEU CB . 34488 1 611 . 1 . 1 80 80 LEU CG C 13 26.18 0.05 . 1 . . . . A 59 LEU CG . 34488 1 612 . 1 . 1 80 80 LEU CD1 C 13 24.49 0.05 . 1 . . . . A 59 LEU CD1 . 34488 1 613 . 1 . 1 80 80 LEU CD2 C 13 22.34 0.05 . 1 . . . . A 59 LEU CD2 . 34488 1 614 . 1 . 1 80 80 LEU N N 15 119.58 0.05 . 1 . . . . A 59 LEU N . 34488 1 615 . 1 . 1 81 81 GLU H H 1 8.07 0.02 . 1 . . . . A 60 GLU H . 34488 1 616 . 1 . 1 81 81 GLU HA H 1 4.28 0.02 . 1 . . . . A 60 GLU HA . 34488 1 617 . 1 . 1 81 81 GLU CA C 13 58.19 0.05 . 1 . . . . A 60 GLU CA . 34488 1 618 . 1 . 1 81 81 GLU CB C 13 28.83 0.05 . 1 . . . . A 60 GLU CB . 34488 1 619 . 1 . 1 81 81 GLU CG C 13 35.78 0.05 . 1 . . . . A 60 GLU CG . 34488 1 620 . 1 . 1 81 81 GLU N N 15 119.33 0.05 . 1 . . . . A 60 GLU N . 34488 1 621 . 1 . 1 82 82 HIS HD2 H 1 7.41 0.02 . 1 . . . . A 61 HIS HD2 . 34488 1 622 . 1 . 1 84 84 PHE HA H 1 4.32 0.02 . 1 . . . . A 63 PHE HA . 34488 1 623 . 1 . 1 84 84 PHE HB2 H 1 3.26 0.02 . 1 . . . . A 63 PHE HB2 . 34488 1 624 . 1 . 1 84 84 PHE HB3 H 1 3.15 0.02 . 1 . . . . A 63 PHE HB3 . 34488 1 625 . 1 . 1 84 84 PHE HD1 H 1 7.22 0.02 . 1 . . . . A 63 PHE HD1 . 34488 1 626 . 1 . 1 84 84 PHE HD2 H 1 7.22 0.02 . 1 . . . . A 63 PHE HD2 . 34488 1 627 . 1 . 1 92 92 THR HG21 H 1 1.11 0.02 . 1 . . . . A 71 THR HG21 . 34488 1 628 . 1 . 1 92 92 THR HG22 H 1 1.11 0.02 . 1 . . . . A 71 THR HG22 . 34488 1 629 . 1 . 1 92 92 THR HG23 H 1 1.11 0.02 . 1 . . . . A 71 THR HG23 . 34488 1 630 . 1 . 1 92 92 THR CA C 13 66.52 0.05 . 1 . . . . A 71 THR CA . 34488 1 631 . 1 . 1 92 92 THR CB C 13 68.19 0.05 . 1 . . . . A 71 THR CB . 34488 1 632 . 1 . 1 92 92 THR CG2 C 13 20.62 0.05 . 1 . . . . A 71 THR CG2 . 34488 1 633 . 1 . 1 93 93 GLU HA H 1 4.19 0.02 . 1 . . . . A 72 GLU HA . 34488 1 634 . 1 . 1 93 93 GLU C C 13 178.23 0.05 . 1 . . . . A 72 GLU C . 34488 1 635 . 1 . 1 93 93 GLU CA C 13 57.93 0.05 . 1 . . . . A 72 GLU CA . 34488 1 636 . 1 . 1 93 93 GLU CB C 13 28.76 0.05 . 1 . . . . A 72 GLU CB . 34488 1 637 . 1 . 1 93 93 GLU CG C 13 36.08 0.05 . 1 . . . . A 72 GLU CG . 34488 1 638 . 1 . 1 94 94 ILE H H 1 7.99 0.02 . 1 . . . . A 73 ILE H . 34488 1 639 . 1 . 1 94 94 ILE HA H 1 3.75 0.02 . 1 . . . . A 73 ILE HA . 34488 1 640 . 1 . 1 94 94 ILE HB H 1 1.93 0.02 . 1 . . . . A 73 ILE HB . 34488 1 641 . 1 . 1 94 94 ILE HG12 H 1 1.63 0.02 . 1 . . . . A 73 ILE HG12 . 34488 1 642 . 1 . 1 94 94 ILE HG13 H 1 1.19 0.02 . 1 . . . . A 73 ILE HG13 . 34488 1 643 . 1 . 1 94 94 ILE C C 13 177.1 0.05 . 1 . . . . A 73 ILE C . 34488 1 644 . 1 . 1 94 94 ILE CA C 13 64.29 0.05 . 1 . . . . A 73 ILE CA . 34488 1 645 . 1 . 1 94 94 ILE CB C 13 36.85 0.05 . 1 . . . . A 73 ILE CB . 34488 1 646 . 1 . 1 94 94 ILE CG1 C 13 27.99 0.05 . 1 . . . . A 73 ILE CG1 . 34488 1 647 . 1 . 1 94 94 ILE N N 15 119.55 0.05 . 1 . . . . A 73 ILE N . 34488 1 648 . 1 . 1 95 95 TYR HA H 1 4.24 0.02 . 1 . . . . A 74 TYR HA . 34488 1 649 . 1 . 1 95 95 TYR HB2 H 1 3.29 0.02 . 1 . . . . A 74 TYR HB2 . 34488 1 650 . 1 . 1 95 95 TYR HB3 H 1 3.17 0.02 . 1 . . . . A 74 TYR HB3 . 34488 1 651 . 1 . 1 95 95 TYR HD1 H 1 7.19 0.02 . 1 . . . . A 74 TYR HD1 . 34488 1 652 . 1 . 1 95 95 TYR HD2 H 1 7.19 0.02 . 1 . . . . A 74 TYR HD2 . 34488 1 653 . 1 . 1 95 95 TYR HE1 H 1 6.9 0.02 . 1 . . . . A 74 TYR HE1 . 34488 1 654 . 1 . 1 95 95 TYR HE2 H 1 6.9 0.02 . 1 . . . . A 74 TYR HE2 . 34488 1 655 . 1 . 1 95 95 TYR C C 13 177.86 0.05 . 1 . . . . A 74 TYR C . 34488 1 656 . 1 . 1 95 95 TYR CA C 13 59.48 0.05 . 1 . . . . A 74 TYR CA . 34488 1 657 . 1 . 1 95 95 TYR CB C 13 36.31 0.05 . 1 . . . . A 74 TYR CB . 34488 1 658 . 1 . 1 95 95 TYR CD1 C 13 130.3 0.05 . 1 . . . . A 74 TYR CD1 . 34488 1 659 . 1 . 1 95 95 TYR CD2 C 13 130.3 0.05 . 1 . . . . A 74 TYR CD2 . 34488 1 660 . 1 . 1 95 95 TYR CE1 C 13 118.39 0.05 . 1 . . . . A 74 TYR CE1 . 34488 1 661 . 1 . 1 95 95 TYR CE2 C 13 118.39 0.05 . 1 . . . . A 74 TYR CE2 . 34488 1 662 . 1 . 1 95 95 TYR N N 15 118.14 0.05 . 1 . . . . A 74 TYR N . 34488 1 663 . 1 . 1 96 96 LYS H H 1 7.68 0.02 . 1 . . . . A 75 LYS H . 34488 1 664 . 1 . 1 96 96 LYS HA H 1 4.2 0.02 . 1 . . . . A 75 LYS HA . 34488 1 665 . 1 . 1 96 96 LYS HB2 H 1 2.11 0.02 . 1 . . . . A 75 LYS HB2 . 34488 1 666 . 1 . 1 96 96 LYS HB3 H 1 2.11 0.02 . 1 . . . . A 75 LYS HB3 . 34488 1 667 . 1 . 1 96 96 LYS C C 13 178.34 0.05 . 1 . . . . A 75 LYS C . 34488 1 668 . 1 . 1 96 96 LYS CA C 13 58.56 0.05 . 1 . . . . A 75 LYS CA . 34488 1 669 . 1 . 1 96 96 LYS CB C 13 31.65 0.05 . 1 . . . . A 75 LYS CB . 34488 1 670 . 1 . 1 96 96 LYS CG C 13 24.47 0.05 . 1 . . . . A 75 LYS CG . 34488 1 671 . 1 . 1 96 96 LYS CD C 13 29.03 0.05 . 1 . . . . A 75 LYS CD . 34488 1 672 . 1 . 1 96 96 LYS CE C 13 40.31 0.05 . 1 . . . . A 75 LYS CE . 34488 1 673 . 1 . 1 96 96 LYS N N 15 119.46 0.05 . 1 . . . . A 75 LYS N . 34488 1 674 . 1 . 1 97 97 ILE H H 1 7.77 0.02 . 1 . . . . A 76 ILE H . 34488 1 675 . 1 . 1 97 97 ILE HA H 1 3.93 0.02 . 1 . . . . A 76 ILE HA . 34488 1 676 . 1 . 1 97 97 ILE HB H 1 2.12 0.02 . 1 . . . . A 76 ILE HB . 34488 1 677 . 1 . 1 97 97 ILE HG12 H 1 1.88 0.02 . 1 . . . . A 76 ILE HG12 . 34488 1 678 . 1 . 1 97 97 ILE HG13 H 1 1.3 0.02 . 1 . . . . A 76 ILE HG13 . 34488 1 679 . 1 . 1 97 97 ILE C C 13 177.3 0.05 . 1 . . . . A 76 ILE C . 34488 1 680 . 1 . 1 97 97 ILE CA C 13 64.17 0.05 . 1 . . . . A 76 ILE CA . 34488 1 681 . 1 . 1 97 97 ILE CB C 13 36.83 0.05 . 1 . . . . A 76 ILE CB . 34488 1 682 . 1 . 1 97 97 ILE CG1 C 13 28.07 0.05 . 1 . . . . A 76 ILE CG1 . 34488 1 683 . 1 . 1 97 97 ILE N N 15 120.78 0.05 . 1 . . . . A 76 ILE N . 34488 1 684 . 1 . 1 98 98 VAL H H 1 8.37 0.02 . 1 . . . . A 77 VAL H . 34488 1 685 . 1 . 1 98 98 VAL HA H 1 3.48 0.02 . 1 . . . . A 77 VAL HA . 34488 1 686 . 1 . 1 98 98 VAL HB H 1 2.25 0.02 . 1 . . . . A 77 VAL HB . 34488 1 687 . 1 . 1 98 98 VAL HG11 H 1 0.96 0.02 . 1 . . . . A 77 VAL HG11 . 34488 1 688 . 1 . 1 98 98 VAL HG12 H 1 0.96 0.02 . 1 . . . . A 77 VAL HG12 . 34488 1 689 . 1 . 1 98 98 VAL HG13 H 1 0.96 0.02 . 1 . . . . A 77 VAL HG13 . 34488 1 690 . 1 . 1 98 98 VAL HG21 H 1 1.07 0.02 . 1 . . . . A 77 VAL HG21 . 34488 1 691 . 1 . 1 98 98 VAL HG22 H 1 1.07 0.02 . 1 . . . . A 77 VAL HG22 . 34488 1 692 . 1 . 1 98 98 VAL HG23 H 1 1.07 0.02 . 1 . . . . A 77 VAL HG23 . 34488 1 693 . 1 . 1 98 98 VAL C C 13 177.25 0.05 . 1 . . . . A 77 VAL C . 34488 1 694 . 1 . 1 98 98 VAL CA C 13 66.82 0.05 . 1 . . . . A 77 VAL CA . 34488 1 695 . 1 . 1 98 98 VAL CB C 13 30.69 0.05 . 1 . . . . A 77 VAL CB . 34488 1 696 . 1 . 1 98 98 VAL CG1 C 13 20.85 0.05 . 1 . . . . A 77 VAL CG1 . 34488 1 697 . 1 . 1 98 98 VAL CG2 C 13 22.2 0.05 . 1 . . . . A 77 VAL CG2 . 34488 1 698 . 1 . 1 98 98 VAL N N 15 119.54 0.05 . 1 . . . . A 77 VAL N . 34488 1 699 . 1 . 1 99 99 LYS H H 1 7.77 0.02 . 1 . . . . A 78 LYS H . 34488 1 700 . 1 . 1 99 99 LYS HA H 1 4.31 0.02 . 1 . . . . A 78 LYS HA . 34488 1 701 . 1 . 1 99 99 LYS HB3 H 1 2.02 0.02 . 1 . . . . A 78 LYS HB3 . 34488 1 702 . 1 . 1 99 99 LYS C C 13 179.86 0.05 . 1 . . . . A 78 LYS C . 34488 1 703 . 1 . 1 99 99 LYS CA C 13 58.41 0.05 . 1 . . . . A 78 LYS CA . 34488 1 704 . 1 . 1 99 99 LYS CB C 13 31.15 0.05 . 1 . . . . A 78 LYS CB . 34488 1 705 . 1 . 1 99 99 LYS CG C 13 24.14 0.05 . 1 . . . . A 78 LYS CG . 34488 1 706 . 1 . 1 99 99 LYS CD C 13 28.04 0.05 . 1 . . . . A 78 LYS CD . 34488 1 707 . 1 . 1 99 99 LYS CE C 13 41.71 0.05 . 1 . . . . A 78 LYS CE . 34488 1 708 . 1 . 1 99 99 LYS N N 15 118.18 0.05 . 1 . . . . A 78 LYS N . 34488 1 709 . 1 . 1 100 100 GLU H H 1 7.76 0.02 . 1 . . . . A 79 GLU H . 34488 1 710 . 1 . 1 100 100 GLU HA H 1 4.2 0.02 . 1 . . . . A 79 GLU HA . 34488 1 711 . 1 . 1 100 100 GLU HB2 H 1 2.3 0.02 . 1 . . . . A 79 GLU HB2 . 34488 1 712 . 1 . 1 100 100 GLU HB3 H 1 2.3 0.02 . 1 . . . . A 79 GLU HB3 . 34488 1 713 . 1 . 1 100 100 GLU HG2 H 1 2.44 0.02 . 1 . . . . A 79 GLU HG2 . 34488 1 714 . 1 . 1 100 100 GLU HG3 H 1 2.44 0.02 . 1 . . . . A 79 GLU HG3 . 34488 1 715 . 1 . 1 100 100 GLU C C 13 178.72 0.05 . 1 . . . . A 79 GLU C . 34488 1 716 . 1 . 1 100 100 GLU CA C 13 58.36 0.05 . 1 . . . . A 79 GLU CA . 34488 1 717 . 1 . 1 100 100 GLU CB C 13 28.62 0.05 . 1 . . . . A 79 GLU CB . 34488 1 718 . 1 . 1 100 100 GLU CG C 13 35.29 0.05 . 1 . . . . A 79 GLU CG . 34488 1 719 . 1 . 1 100 100 GLU N N 15 121.25 0.05 . 1 . . . . A 79 GLU N . 34488 1 720 . 1 . 1 101 101 VAL H H 1 8.63 0.02 . 1 . . . . A 80 VAL H . 34488 1 721 . 1 . 1 101 101 VAL HA H 1 3.48 0.02 . 1 . . . . A 80 VAL HA . 34488 1 722 . 1 . 1 101 101 VAL HB H 1 2.51 0.02 . 1 . . . . A 80 VAL HB . 34488 1 723 . 1 . 1 101 101 VAL HG11 H 1 0.96 0.02 . 1 . . . . A 80 VAL HG11 . 34488 1 724 . 1 . 1 101 101 VAL HG12 H 1 0.96 0.02 . 1 . . . . A 80 VAL HG12 . 34488 1 725 . 1 . 1 101 101 VAL HG13 H 1 0.96 0.02 . 1 . . . . A 80 VAL HG13 . 34488 1 726 . 1 . 1 101 101 VAL HG21 H 1 1.12 0.02 . 1 . . . . A 80 VAL HG21 . 34488 1 727 . 1 . 1 101 101 VAL HG22 H 1 1.12 0.02 . 1 . . . . A 80 VAL HG22 . 34488 1 728 . 1 . 1 101 101 VAL HG23 H 1 1.12 0.02 . 1 . . . . A 80 VAL HG23 . 34488 1 729 . 1 . 1 101 101 VAL C C 13 175.88 0.05 . 1 . . . . A 80 VAL C . 34488 1 730 . 1 . 1 101 101 VAL CA C 13 66.87 0.05 . 1 . . . . A 80 VAL CA . 34488 1 731 . 1 . 1 101 101 VAL CB C 13 30.45 0.05 . 1 . . . . A 80 VAL CB . 34488 1 732 . 1 . 1 101 101 VAL CG1 C 13 20.83 0.05 . 1 . . . . A 80 VAL CG1 . 34488 1 733 . 1 . 1 101 101 VAL CG2 C 13 23.75 0.05 . 1 . . . . A 80 VAL CG2 . 34488 1 734 . 1 . 1 101 101 VAL N N 15 121.55 0.05 . 1 . . . . A 80 VAL N . 34488 1 735 . 1 . 1 102 102 ASP H H 1 8.33 0.02 . 1 . . . . A 81 ASP H . 34488 1 736 . 1 . 1 102 102 ASP HA H 1 4.47 0.02 . 1 . . . . A 81 ASP HA . 34488 1 737 . 1 . 1 102 102 ASP HB2 H 1 2.94 0.02 . 1 . . . . A 81 ASP HB2 . 34488 1 738 . 1 . 1 102 102 ASP HB3 H 1 2.75 0.02 . 1 . . . . A 81 ASP HB3 . 34488 1 739 . 1 . 1 102 102 ASP C C 13 178.42 0.05 . 1 . . . . A 81 ASP C . 34488 1 740 . 1 . 1 102 102 ASP CA C 13 57.29 0.05 . 1 . . . . A 81 ASP CA . 34488 1 741 . 1 . 1 102 102 ASP CB C 13 39.99 0.05 . 1 . . . . A 81 ASP CB . 34488 1 742 . 1 . 1 102 102 ASP N N 15 119.63 0.05 . 1 . . . . A 81 ASP N . 34488 1 743 . 1 . 1 103 103 ARG H H 1 7.8 0.02 . 1 . . . . A 82 ARG H . 34488 1 744 . 1 . 1 103 103 ARG HA H 1 4.21 0.02 . 1 . . . . A 82 ARG HA . 34488 1 745 . 1 . 1 103 103 ARG HB2 H 1 1.86 0.02 . 1 . . . . A 82 ARG HB2 . 34488 1 746 . 1 . 1 103 103 ARG HB3 H 1 1.81 0.02 . 1 . . . . A 82 ARG HB3 . 34488 1 747 . 1 . 1 103 103 ARG HG2 H 1 1.87 0.02 . 1 . . . . A 82 ARG HG2 . 34488 1 748 . 1 . 1 103 103 ARG HG3 H 1 1.87 0.02 . 1 . . . . A 82 ARG HG3 . 34488 1 749 . 1 . 1 103 103 ARG HD2 H 1 3.37 0.02 . 1 . . . . A 82 ARG HD2 . 34488 1 750 . 1 . 1 103 103 ARG HD3 H 1 3.37 0.02 . 1 . . . . A 82 ARG HD3 . 34488 1 751 . 1 . 1 103 103 ARG C C 13 178.68 0.05 . 1 . . . . A 82 ARG C . 34488 1 752 . 1 . 1 103 103 ARG CA C 13 58.43 0.05 . 1 . . . . A 82 ARG CA . 34488 1 753 . 1 . 1 103 103 ARG CB C 13 29.15 0.05 . 1 . . . . A 82 ARG CB . 34488 1 754 . 1 . 1 103 103 ARG CG C 13 26.38 0.05 . 1 . . . . A 82 ARG CG . 34488 1 755 . 1 . 1 103 103 ARG CD C 13 42.72 0.05 . 1 . . . . A 82 ARG CD . 34488 1 756 . 1 . 1 103 103 ARG N N 15 119.62 0.05 . 1 . . . . A 82 ARG N . 34488 1 757 . 1 . 1 104 104 LYS H H 1 8.47 0.02 . 1 . . . . A 83 LYS H . 34488 1 758 . 1 . 1 104 104 LYS HA H 1 4.34 0.02 . 1 . . . . A 83 LYS HA . 34488 1 759 . 1 . 1 104 104 LYS HB2 H 1 2.12 0.02 . 1 . . . . A 83 LYS HB2 . 34488 1 760 . 1 . 1 104 104 LYS HB3 H 1 1.94 0.02 . 1 . . . . A 83 LYS HB3 . 34488 1 761 . 1 . 1 104 104 LYS HG2 H 1 1.79 0.02 . 1 . . . . A 83 LYS HG2 . 34488 1 762 . 1 . 1 104 104 LYS HG3 H 1 1.69 0.02 . 1 . . . . A 83 LYS HG3 . 34488 1 763 . 1 . 1 104 104 LYS HD2 H 1 1.89 0.02 . 1 . . . . A 83 LYS HD2 . 34488 1 764 . 1 . 1 104 104 LYS HD3 H 1 1.7 0.02 . 1 . . . . A 83 LYS HD3 . 34488 1 765 . 1 . 1 104 104 LYS HE2 H 1 3.07 0.02 . 1 . . . . A 83 LYS HE2 . 34488 1 766 . 1 . 1 104 104 LYS HE3 H 1 3.07 0.02 . 1 . . . . A 83 LYS HE3 . 34488 1 767 . 1 . 1 104 104 LYS C C 13 179.58 0.05 . 1 . . . . A 83 LYS C . 34488 1 768 . 1 . 1 104 104 LYS CA C 13 57.9 0.05 . 1 . . . . A 83 LYS CA . 34488 1 769 . 1 . 1 104 104 LYS CB C 13 31.1 0.05 . 1 . . . . A 83 LYS CB . 34488 1 770 . 1 . 1 104 104 LYS CG C 13 24.66 0.05 . 1 . . . . A 83 LYS CG . 34488 1 771 . 1 . 1 104 104 LYS CD C 13 27.34 0.05 . 1 . . . . A 83 LYS CD . 34488 1 772 . 1 . 1 104 104 LYS CE C 13 41.47 0.05 . 1 . . . . A 83 LYS CE . 34488 1 773 . 1 . 1 104 104 LYS N N 15 119.79 0.05 . 1 . . . . A 83 LYS N . 34488 1 774 . 1 . 1 105 105 LEU H H 1 8.91 0.02 . 1 . . . . A 84 LEU H . 34488 1 775 . 1 . 1 105 105 LEU HA H 1 4.16 0.02 . 1 . . . . A 84 LEU HA . 34488 1 776 . 1 . 1 105 105 LEU HB2 H 1 2.37 0.02 . 1 . . . . A 84 LEU HB2 . 34488 1 777 . 1 . 1 105 105 LEU HB3 H 1 1.49 0.02 . 1 . . . . A 84 LEU HB3 . 34488 1 778 . 1 . 1 105 105 LEU HG H 1 1.4 0.02 . 1 . . . . A 84 LEU HG . 34488 1 779 . 1 . 1 105 105 LEU HD11 H 1 1.09 0.02 . 1 . . . . A 84 LEU HD11 . 34488 1 780 . 1 . 1 105 105 LEU HD12 H 1 1.09 0.02 . 1 . . . . A 84 LEU HD12 . 34488 1 781 . 1 . 1 105 105 LEU HD13 H 1 1.09 0.02 . 1 . . . . A 84 LEU HD13 . 34488 1 782 . 1 . 1 105 105 LEU HD21 H 1 1.08 0.02 . 1 . . . . A 84 LEU HD21 . 34488 1 783 . 1 . 1 105 105 LEU HD22 H 1 1.08 0.02 . 1 . . . . A 84 LEU HD22 . 34488 1 784 . 1 . 1 105 105 LEU HD23 H 1 1.08 0.02 . 1 . . . . A 84 LEU HD23 . 34488 1 785 . 1 . 1 105 105 LEU C C 13 180 0.05 . 1 . . . . A 84 LEU C . 34488 1 786 . 1 . 1 105 105 LEU CA C 13 57.3 0.05 . 1 . . . . A 84 LEU CA . 34488 1 787 . 1 . 1 105 105 LEU CB C 13 41.23 0.05 . 1 . . . . A 84 LEU CB . 34488 1 788 . 1 . 1 105 105 LEU CG C 13 26.08 0.05 . 1 . . . . A 84 LEU CG . 34488 1 789 . 1 . 1 105 105 LEU CD1 C 13 25.2 0.05 . 1 . . . . A 84 LEU CD1 . 34488 1 790 . 1 . 1 105 105 LEU CD2 C 13 23.04 0.05 . 1 . . . . A 84 LEU CD2 . 34488 1 791 . 1 . 1 105 105 LEU N N 15 120.57 0.05 . 1 . . . . A 84 LEU N . 34488 1 792 . 1 . 1 106 106 LEU H H 1 7.9 0.02 . 1 . . . . A 85 LEU H . 34488 1 793 . 1 . 1 106 106 LEU HA H 1 3.99 0.02 . 1 . . . . A 85 LEU HA . 34488 1 794 . 1 . 1 106 106 LEU HB2 H 1 1.91 0.02 . 1 . . . . A 85 LEU HB2 . 34488 1 795 . 1 . 1 106 106 LEU HB3 H 1 1.85 0.02 . 1 . . . . A 85 LEU HB3 . 34488 1 796 . 1 . 1 106 106 LEU HD11 H 1 0.93 0.02 . 1 . . . . A 85 LEU HD11 . 34488 1 797 . 1 . 1 106 106 LEU HD12 H 1 0.93 0.02 . 1 . . . . A 85 LEU HD12 . 34488 1 798 . 1 . 1 106 106 LEU HD13 H 1 0.93 0.02 . 1 . . . . A 85 LEU HD13 . 34488 1 799 . 1 . 1 106 106 LEU HD21 H 1 0.99 0.02 . 1 . . . . A 85 LEU HD21 . 34488 1 800 . 1 . 1 106 106 LEU HD22 H 1 0.99 0.02 . 1 . . . . A 85 LEU HD22 . 34488 1 801 . 1 . 1 106 106 LEU HD23 H 1 0.99 0.02 . 1 . . . . A 85 LEU HD23 . 34488 1 802 . 1 . 1 106 106 LEU C C 13 176.48 0.05 . 1 . . . . A 85 LEU C . 34488 1 803 . 1 . 1 106 106 LEU CA C 13 57.93 0.05 . 1 . . . . A 85 LEU CA . 34488 1 804 . 1 . 1 106 106 LEU CB C 13 40.11 0.05 . 1 . . . . A 85 LEU CB . 34488 1 805 . 1 . 1 106 106 LEU CG C 13 25.86 0.05 . 1 . . . . A 85 LEU CG . 34488 1 806 . 1 . 1 106 106 LEU CD1 C 13 24.24 0.05 . 1 . . . . A 85 LEU CD1 . 34488 1 807 . 1 . 1 106 106 LEU CD2 C 13 22.45 0.05 . 1 . . . . A 85 LEU CD2 . 34488 1 808 . 1 . 1 106 106 LEU N N 15 124.38 0.05 . 1 . . . . A 85 LEU N . 34488 1 809 . 1 . 1 107 107 ASP H H 1 8.01 0.02 . 1 . . . . A 86 ASP H . 34488 1 810 . 1 . 1 107 107 ASP HA H 1 4.53 0.02 . 1 . . . . A 86 ASP HA . 34488 1 811 . 1 . 1 107 107 ASP HB2 H 1 2.96 0.02 . 1 . . . . A 86 ASP HB2 . 34488 1 812 . 1 . 1 107 107 ASP HB3 H 1 2.8 0.02 . 1 . . . . A 86 ASP HB3 . 34488 1 813 . 1 . 1 107 107 ASP C C 13 179.09 0.05 . 1 . . . . A 86 ASP C . 34488 1 814 . 1 . 1 107 107 ASP CA C 13 56.97 0.05 . 1 . . . . A 86 ASP CA . 34488 1 815 . 1 . 1 107 107 ASP CB C 13 39.41 0.05 . 1 . . . . A 86 ASP CB . 34488 1 816 . 1 . 1 107 107 ASP N N 15 121.74 0.05 . 1 . . . . A 86 ASP N . 34488 1 817 . 1 . 1 108 108 LEU H H 1 8.73 0.02 . 1 . . . . A 87 LEU H . 34488 1 818 . 1 . 1 108 108 LEU HA H 1 4.28 0.02 . 1 . . . . A 87 LEU HA . 34488 1 819 . 1 . 1 108 108 LEU HB2 H 1 2.14 0.02 . 1 . . . . A 87 LEU HB2 . 34488 1 820 . 1 . 1 108 108 LEU HB3 H 1 1.8 0.02 . 1 . . . . A 87 LEU HB3 . 34488 1 821 . 1 . 1 108 108 LEU HG H 1 1.66 0.02 . 1 . . . . A 87 LEU HG . 34488 1 822 . 1 . 1 108 108 LEU HD11 H 1 0.98 0.02 . 1 . . . . A 87 LEU HD11 . 34488 1 823 . 1 . 1 108 108 LEU HD12 H 1 0.98 0.02 . 1 . . . . A 87 LEU HD12 . 34488 1 824 . 1 . 1 108 108 LEU HD13 H 1 0.98 0.02 . 1 . . . . A 87 LEU HD13 . 34488 1 825 . 1 . 1 108 108 LEU HD21 H 1 0.8 0.02 . 1 . . . . A 87 LEU HD21 . 34488 1 826 . 1 . 1 108 108 LEU HD22 H 1 0.8 0.02 . 1 . . . . A 87 LEU HD22 . 34488 1 827 . 1 . 1 108 108 LEU HD23 H 1 0.8 0.02 . 1 . . . . A 87 LEU HD23 . 34488 1 828 . 1 . 1 108 108 LEU C C 13 176.98 0.05 . 1 . . . . A 87 LEU C . 34488 1 829 . 1 . 1 108 108 LEU CA C 13 57.17 0.05 . 1 . . . . A 87 LEU CA . 34488 1 830 . 1 . 1 108 108 LEU CB C 13 41.48 0.05 . 1 . . . . A 87 LEU CB . 34488 1 831 . 1 . 1 108 108 LEU CG C 13 25.84 0.05 . 1 . . . . A 87 LEU CG . 34488 1 832 . 1 . 1 108 108 LEU CD1 C 13 23.96 0.05 . 1 . . . . A 87 LEU CD1 . 34488 1 833 . 1 . 1 108 108 LEU CD2 C 13 26.72 0.05 . 1 . . . . A 87 LEU CD2 . 34488 1 834 . 1 . 1 108 108 LEU N N 15 122.68 0.05 . 1 . . . . A 87 LEU N . 34488 1 835 . 1 . 1 109 109 THR H H 1 7.98 0.02 . 1 . . . . A 88 THR H . 34488 1 836 . 1 . 1 109 109 THR HA H 1 3.93 0.02 . 1 . . . . A 88 THR HA . 34488 1 837 . 1 . 1 109 109 THR HB H 1 4.7 0.02 . 1 . . . . A 88 THR HB . 34488 1 838 . 1 . 1 109 109 THR HG21 H 1 1.35 0.02 . 1 . . . . A 88 THR HG21 . 34488 1 839 . 1 . 1 109 109 THR HG22 H 1 1.35 0.02 . 1 . . . . A 88 THR HG22 . 34488 1 840 . 1 . 1 109 109 THR HG23 H 1 1.35 0.02 . 1 . . . . A 88 THR HG23 . 34488 1 841 . 1 . 1 109 109 THR C C 13 174.62 0.05 . 1 . . . . A 88 THR C . 34488 1 842 . 1 . 1 109 109 THR CA C 13 66.51 0.05 . 1 . . . . A 88 THR CA . 34488 1 843 . 1 . 1 109 109 THR CB C 13 68.29 0.05 . 1 . . . . A 88 THR CB . 34488 1 844 . 1 . 1 109 109 THR CG2 C 13 19.77 0.05 . 1 . . . . A 88 THR CG2 . 34488 1 845 . 1 . 1 109 109 THR N N 15 116.68 0.05 . 1 . . . . A 88 THR N . 34488 1 846 . 1 . 1 110 110 ASP H H 1 7.69 0.02 . 1 . . . . A 89 ASP H . 34488 1 847 . 1 . 1 110 110 ASP HA H 1 4.56 0.02 . 1 . . . . A 89 ASP HA . 34488 1 848 . 1 . 1 110 110 ASP HB2 H 1 2.95 0.02 . 1 . . . . A 89 ASP HB2 . 34488 1 849 . 1 . 1 110 110 ASP HB3 H 1 2.76 0.02 . 1 . . . . A 89 ASP HB3 . 34488 1 850 . 1 . 1 110 110 ASP C C 13 177.93 0.05 . 1 . . . . A 89 ASP C . 34488 1 851 . 1 . 1 110 110 ASP CA C 13 56.25 0.05 . 1 . . . . A 89 ASP CA . 34488 1 852 . 1 . 1 110 110 ASP CB C 13 39.98 0.05 . 1 . . . . A 89 ASP CB . 34488 1 853 . 1 . 1 110 110 ASP N N 15 119.91 0.05 . 1 . . . . A 89 ASP N . 34488 1 854 . 1 . 1 111 111 ALA H H 1 7.9 0.02 . 1 . . . . A 90 ALA H . 34488 1 855 . 1 . 1 111 111 ALA HA H 1 4.21 0.02 . 1 . . . . A 90 ALA HA . 34488 1 856 . 1 . 1 111 111 ALA HB1 H 1 1.45 0.02 . 1 . . . . A 90 ALA HB1 . 34488 1 857 . 1 . 1 111 111 ALA HB2 H 1 1.45 0.02 . 1 . . . . A 90 ALA HB2 . 34488 1 858 . 1 . 1 111 111 ALA HB3 H 1 1.45 0.02 . 1 . . . . A 90 ALA HB3 . 34488 1 859 . 1 . 1 111 111 ALA C C 13 178.7 0.05 . 1 . . . . A 90 ALA C . 34488 1 860 . 1 . 1 111 111 ALA CA C 13 54.06 0.05 . 1 . . . . A 90 ALA CA . 34488 1 861 . 1 . 1 111 111 ALA CB C 13 17.91 0.05 . 1 . . . . A 90 ALA CB . 34488 1 862 . 1 . 1 111 111 ALA N N 15 120.77 0.05 . 1 . . . . A 90 ALA N . 34488 1 863 . 1 . 1 112 112 VAL H H 1 8.37 0.02 . 1 . . . . A 91 VAL H . 34488 1 864 . 1 . 1 112 112 VAL HA H 1 3.67 0.02 . 1 . . . . A 91 VAL HA . 34488 1 865 . 1 . 1 112 112 VAL HB H 1 2.25 0.02 . 1 . . . . A 91 VAL HB . 34488 1 866 . 1 . 1 112 112 VAL HG11 H 1 0.86 0.02 . 1 . . . . A 91 VAL HG11 . 34488 1 867 . 1 . 1 112 112 VAL HG12 H 1 0.86 0.02 . 1 . . . . A 91 VAL HG12 . 34488 1 868 . 1 . 1 112 112 VAL HG13 H 1 0.86 0.02 . 1 . . . . A 91 VAL HG13 . 34488 1 869 . 1 . 1 112 112 VAL HG21 H 1 1.08 0.02 . 1 . . . . A 91 VAL HG21 . 34488 1 870 . 1 . 1 112 112 VAL HG22 H 1 1.08 0.02 . 1 . . . . A 91 VAL HG22 . 34488 1 871 . 1 . 1 112 112 VAL HG23 H 1 1.08 0.02 . 1 . . . . A 91 VAL HG23 . 34488 1 872 . 1 . 1 112 112 VAL C C 13 177.28 0.05 . 1 . . . . A 91 VAL C . 34488 1 873 . 1 . 1 112 112 VAL CA C 13 65.23 0.05 . 1 . . . . A 91 VAL CA . 34488 1 874 . 1 . 1 112 112 VAL CB C 13 30.87 0.05 . 1 . . . . A 91 VAL CB . 34488 1 875 . 1 . 1 112 112 VAL CG1 C 13 20.45 0.05 . 1 . . . . A 91 VAL CG1 . 34488 1 876 . 1 . 1 112 112 VAL CG2 C 13 23.26 0.05 . 1 . . . . A 91 VAL CG2 . 34488 1 877 . 1 . 1 112 112 VAL N N 15 117.37 0.05 . 1 . . . . A 91 VAL N . 34488 1 878 . 1 . 1 113 113 LEU H H 1 7.96 0.02 . 1 . . . . A 92 LEU H . 34488 1 879 . 1 . 1 113 113 LEU HA H 1 4.33 0.02 . 1 . . . . A 92 LEU HA . 34488 1 880 . 1 . 1 113 113 LEU HB2 H 1 1.94 0.02 . 1 . . . . A 92 LEU HB2 . 34488 1 881 . 1 . 1 113 113 LEU HB3 H 1 1.71 0.02 . 1 . . . . A 92 LEU HB3 . 34488 1 882 . 1 . 1 113 113 LEU HG H 1 1.93 0.02 . 1 . . . . A 92 LEU HG . 34488 1 883 . 1 . 1 113 113 LEU HD11 H 1 0.96 0.02 . 1 . . . . A 92 LEU HD11 . 34488 1 884 . 1 . 1 113 113 LEU HD12 H 1 0.96 0.02 . 1 . . . . A 92 LEU HD12 . 34488 1 885 . 1 . 1 113 113 LEU HD13 H 1 0.96 0.02 . 1 . . . . A 92 LEU HD13 . 34488 1 886 . 1 . 1 113 113 LEU HD21 H 1 0.99 0.02 . 1 . . . . A 92 LEU HD21 . 34488 1 887 . 1 . 1 113 113 LEU HD22 H 1 0.99 0.02 . 1 . . . . A 92 LEU HD22 . 34488 1 888 . 1 . 1 113 113 LEU HD23 H 1 0.99 0.02 . 1 . . . . A 92 LEU HD23 . 34488 1 889 . 1 . 1 113 113 LEU C C 13 177.06 0.05 . 1 . . . . A 92 LEU C . 34488 1 890 . 1 . 1 113 113 LEU CA C 13 55.32 0.05 . 1 . . . . A 92 LEU CA . 34488 1 891 . 1 . 1 113 113 LEU CB C 13 41.02 0.05 . 1 . . . . A 92 LEU CB . 34488 1 892 . 1 . 1 113 113 LEU CG C 13 26.23 0.05 . 1 . . . . A 92 LEU CG . 34488 1 893 . 1 . 1 113 113 LEU CD1 C 13 21.65 0.05 . 1 . . . . A 92 LEU CD1 . 34488 1 894 . 1 . 1 113 113 LEU CD2 C 13 24.7 0.05 . 1 . . . . A 92 LEU CD2 . 34488 1 895 . 1 . 1 113 113 LEU N N 15 118.25 0.05 . 1 . . . . A 92 LEU N . 34488 1 896 . 1 . 1 114 114 ALA H H 1 7.54 0.02 . 1 . . . . A 93 ALA H . 34488 1 897 . 1 . 1 114 114 ALA HA H 1 4.49 0.02 . 1 . . . . A 93 ALA HA . 34488 1 898 . 1 . 1 114 114 ALA HB1 H 1 1.61 0.02 . 1 . . . . A 93 ALA HB1 . 34488 1 899 . 1 . 1 114 114 ALA HB2 H 1 1.61 0.02 . 1 . . . . A 93 ALA HB2 . 34488 1 900 . 1 . 1 114 114 ALA HB3 H 1 1.61 0.02 . 1 . . . . A 93 ALA HB3 . 34488 1 901 . 1 . 1 114 114 ALA CA C 13 51.77 0.05 . 1 . . . . A 93 ALA CA . 34488 1 902 . 1 . 1 114 114 ALA CB C 13 18.25 0.05 . 1 . . . . A 93 ALA CB . 34488 1 903 . 1 . 1 114 114 ALA N N 15 122.27 0.05 . 1 . . . . A 93 ALA N . 34488 1 904 . 1 . 1 117 117 LYS HA H 1 4.53 0.02 . 1 . . . . A 96 LYS HA . 34488 1 905 . 1 . 1 117 117 LYS HB2 H 1 2.02 0.02 . 1 . . . . A 96 LYS HB2 . 34488 1 906 . 1 . 1 117 117 LYS HB3 H 1 1.92 0.02 . 1 . . . . A 96 LYS HB3 . 34488 1 907 . 1 . 1 117 117 LYS HG2 H 1 1.62 0.02 . 1 . . . . A 96 LYS HG2 . 34488 1 908 . 1 . 1 117 117 LYS HG3 H 1 1.62 0.02 . 1 . . . . A 96 LYS HG3 . 34488 1 909 . 1 . 1 117 117 LYS HD2 H 1 1.84 0.02 . 1 . . . . A 96 LYS HD2 . 34488 1 910 . 1 . 1 117 117 LYS HD3 H 1 1.84 0.02 . 1 . . . . A 96 LYS HD3 . 34488 1 911 . 1 . 1 117 117 LYS HE2 H 1 3.12 0.02 . 1 . . . . A 96 LYS HE2 . 34488 1 912 . 1 . 1 117 117 LYS HE3 H 1 3.12 0.02 . 1 . . . . A 96 LYS HE3 . 34488 1 913 . 1 . 1 117 117 LYS C C 13 176.59 0.05 . 1 . . . . A 96 LYS C . 34488 1 914 . 1 . 1 117 117 LYS CA C 13 54.98 0.05 . 1 . . . . A 96 LYS CA . 34488 1 915 . 1 . 1 117 117 LYS CB C 13 32.13 0.05 . 1 . . . . A 96 LYS CB . 34488 1 916 . 1 . 1 117 117 LYS CG C 13 24.34 0.05 . 1 . . . . A 96 LYS CG . 34488 1 917 . 1 . 1 117 117 LYS CD C 13 28.38 0.05 . 1 . . . . A 96 LYS CD . 34488 1 918 . 1 . 1 117 117 LYS CE C 13 40.94 0.05 . 1 . . . . A 96 LYS CE . 34488 1 919 . 1 . 1 118 118 LYS H H 1 8.97 0.02 . 1 . . . . A 97 LYS H . 34488 1 920 . 1 . 1 118 118 LYS N N 15 122.38 0.05 . 1 . . . . A 97 LYS N . 34488 1 921 . 1 . 1 120 120 GLU HA H 1 4.2 0.02 . 1 . . . . A 99 GLU HA . 34488 1 922 . 1 . 1 120 120 GLU C C 13 177.89 0.05 . 1 . . . . A 99 GLU C . 34488 1 923 . 1 . 1 120 120 GLU CA C 13 58.32 0.05 . 1 . . . . A 99 GLU CA . 34488 1 924 . 1 . 1 120 120 GLU CB C 13 28.58 0.05 . 1 . . . . A 99 GLU CB . 34488 1 925 . 1 . 1 120 120 GLU CG C 13 35.58 0.05 . 1 . . . . A 99 GLU CG . 34488 1 926 . 1 . 1 121 121 ASP H H 1 7.59 0.02 . 1 . . . . A 100 ASP H . 34488 1 927 . 1 . 1 121 121 ASP HA H 1 4.63 0.02 . 1 . . . . A 100 ASP HA . 34488 1 928 . 1 . 1 121 121 ASP HB2 H 1 2.97 0.02 . 1 . . . . A 100 ASP HB2 . 34488 1 929 . 1 . 1 121 121 ASP HB3 H 1 2.79 0.02 . 1 . . . . A 100 ASP HB3 . 34488 1 930 . 1 . 1 121 121 ASP C C 13 178.11 0.05 . 1 . . . . A 100 ASP C . 34488 1 931 . 1 . 1 121 121 ASP CA C 13 56.05 0.05 . 1 . . . . A 100 ASP CA . 34488 1 932 . 1 . 1 121 121 ASP CB C 13 39.87 0.05 . 1 . . . . A 100 ASP CB . 34488 1 933 . 1 . 1 121 121 ASP N N 15 118.83 0.05 . 1 . . . . A 100 ASP N . 34488 1 934 . 1 . 1 122 122 ILE H H 1 7.7 0.02 . 1 . . . . A 101 ILE H . 34488 1 935 . 1 . 1 122 122 ILE HA H 1 3.66 0.02 . 1 . . . . A 101 ILE HA . 34488 1 936 . 1 . 1 122 122 ILE HB H 1 2.12 0.02 . 1 . . . . A 101 ILE HB . 34488 1 937 . 1 . 1 122 122 ILE HG12 H 1 1.56 0.02 . 1 . . . . A 101 ILE HG12 . 34488 1 938 . 1 . 1 122 122 ILE HG13 H 1 1.21 0.02 . 1 . . . . A 101 ILE HG13 . 34488 1 939 . 1 . 1 122 122 ILE C C 13 176.96 0.05 . 1 . . . . A 101 ILE C . 34488 1 940 . 1 . 1 122 122 ILE CA C 13 63.7 0.05 . 1 . . . . A 101 ILE CA . 34488 1 941 . 1 . 1 122 122 ILE CB C 13 36.39 0.05 . 1 . . . . A 101 ILE CB . 34488 1 942 . 1 . 1 122 122 ILE CG1 C 13 28.28 0.05 . 1 . . . . A 101 ILE CG1 . 34488 1 943 . 1 . 1 122 122 ILE N N 15 120.31 0.05 . 1 . . . . A 101 ILE N . 34488 1 944 . 1 . 1 123 123 LEU H H 1 8.17 0.02 . 1 . . . . A 102 LEU H . 34488 1 945 . 1 . 1 123 123 LEU HA H 1 4.18 0.02 . 1 . . . . A 102 LEU HA . 34488 1 946 . 1 . 1 123 123 LEU HB2 H 1 1.93 0.02 . 1 . . . . A 102 LEU HB2 . 34488 1 947 . 1 . 1 123 123 LEU HB3 H 1 1.69 0.02 . 1 . . . . A 102 LEU HB3 . 34488 1 948 . 1 . 1 123 123 LEU HG H 1 1.79 0.02 . 1 . . . . A 102 LEU HG . 34488 1 949 . 1 . 1 123 123 LEU HD11 H 1 0.93 0.02 . 1 . . . . A 102 LEU HD11 . 34488 1 950 . 1 . 1 123 123 LEU HD12 H 1 0.93 0.02 . 1 . . . . A 102 LEU HD12 . 34488 1 951 . 1 . 1 123 123 LEU HD13 H 1 0.93 0.02 . 1 . . . . A 102 LEU HD13 . 34488 1 952 . 1 . 1 123 123 LEU HD21 H 1 0.98 0.02 . 1 . . . . A 102 LEU HD21 . 34488 1 953 . 1 . 1 123 123 LEU HD22 H 1 0.98 0.02 . 1 . . . . A 102 LEU HD22 . 34488 1 954 . 1 . 1 123 123 LEU HD23 H 1 0.98 0.02 . 1 . . . . A 102 LEU HD23 . 34488 1 955 . 1 . 1 123 123 LEU C C 13 179.59 0.05 . 1 . . . . A 102 LEU C . 34488 1 956 . 1 . 1 123 123 LEU CA C 13 57.72 0.05 . 1 . . . . A 102 LEU CA . 34488 1 957 . 1 . 1 123 123 LEU CB C 13 40.27 0.05 . 1 . . . . A 102 LEU CB . 34488 1 958 . 1 . 1 123 123 LEU CG C 13 26.42 0.05 . 1 . . . . A 102 LEU CG . 34488 1 959 . 1 . 1 123 123 LEU CD1 C 13 22.36 0.05 . 1 . . . . A 102 LEU CD1 . 34488 1 960 . 1 . 1 123 123 LEU CD2 C 13 24.17 0.05 . 1 . . . . A 102 LEU CD2 . 34488 1 961 . 1 . 1 123 123 LEU N N 15 119.38 0.05 . 1 . . . . A 102 LEU N . 34488 1 962 . 1 . 1 124 124 ASN H H 1 8.12 0.02 . 1 . . . . A 103 ASN H . 34488 1 963 . 1 . 1 124 124 ASN HA H 1 4.63 0.02 . 1 . . . . A 103 ASN HA . 34488 1 964 . 1 . 1 124 124 ASN HB2 H 1 3.03 0.02 . 1 . . . . A 103 ASN HB2 . 34488 1 965 . 1 . 1 124 124 ASN C C 13 177.93 0.05 . 1 . . . . A 103 ASN C . 34488 1 966 . 1 . 1 124 124 ASN CA C 13 55.4 0.05 . 1 . . . . A 103 ASN CA . 34488 1 967 . 1 . 1 124 124 ASN CB C 13 37.15 0.05 . 1 . . . . A 103 ASN CB . 34488 1 968 . 1 . 1 124 124 ASN N N 15 118.55 0.05 . 1 . . . . A 103 ASN N . 34488 1 969 . 1 . 1 125 125 MET H H 1 8.02 0.02 . 1 . . . . A 104 MET H . 34488 1 970 . 1 . 1 125 125 MET HA H 1 4.36 0.02 . 1 . . . . A 104 MET HA . 34488 1 971 . 1 . 1 125 125 MET HB2 H 1 2.05 0.02 . 1 . . . . A 104 MET HB2 . 34488 1 972 . 1 . 1 125 125 MET HG2 H 1 2.14 0.02 . 1 . . . . A 104 MET HG2 . 34488 1 973 . 1 . 1 125 125 MET HG3 H 1 2.14 0.02 . 1 . . . . A 104 MET HG3 . 34488 1 974 . 1 . 1 125 125 MET HE1 H 1 2.16 0.02 . 1 . . . . A 104 MET HE1 . 34488 1 975 . 1 . 1 125 125 MET HE2 H 1 2.16 0.02 . 1 . . . . A 104 MET HE2 . 34488 1 976 . 1 . 1 125 125 MET HE3 H 1 2.16 0.02 . 1 . . . . A 104 MET HE3 . 34488 1 977 . 1 . 1 125 125 MET C C 13 178.99 0.05 . 1 . . . . A 104 MET C . 34488 1 978 . 1 . 1 125 125 MET CA C 13 58.62 0.05 . 1 . . . . A 104 MET CA . 34488 1 979 . 1 . 1 125 125 MET CB C 13 33.12 0.05 . 1 . . . . A 104 MET CB . 34488 1 980 . 1 . 1 125 125 MET CG C 13 32.66 0.05 . 1 . . . . A 104 MET CG . 34488 1 981 . 1 . 1 125 125 MET CE C 13 16.43 0.05 . 1 . . . . A 104 MET CE . 34488 1 982 . 1 . 1 125 125 MET N N 15 120.38 0.05 . 1 . . . . A 104 MET N . 34488 1 983 . 1 . 1 126 126 VAL H H 1 8.45 0.02 . 1 . . . . A 105 VAL H . 34488 1 984 . 1 . 1 126 126 VAL HA H 1 3.54 0.02 . 1 . . . . A 105 VAL HA . 34488 1 985 . 1 . 1 126 126 VAL HB H 1 2.28 0.02 . 1 . . . . A 105 VAL HB . 34488 1 986 . 1 . 1 126 126 VAL HG11 H 1 0.88 0.02 . 1 . . . . A 105 VAL HG11 . 34488 1 987 . 1 . 1 126 126 VAL HG12 H 1 0.88 0.02 . 1 . . . . A 105 VAL HG12 . 34488 1 988 . 1 . 1 126 126 VAL HG13 H 1 0.88 0.02 . 1 . . . . A 105 VAL HG13 . 34488 1 989 . 1 . 1 126 126 VAL C C 13 176.57 0.05 . 1 . . . . A 105 VAL C . 34488 1 990 . 1 . 1 126 126 VAL CA C 13 66.44 0.05 . 1 . . . . A 105 VAL CA . 34488 1 991 . 1 . 1 126 126 VAL CB C 13 30.4 0.05 . 1 . . . . A 105 VAL CB . 34488 1 992 . 1 . 1 126 126 VAL CG1 C 13 20.87 0.05 . 1 . . . . A 105 VAL CG1 . 34488 1 993 . 1 . 1 126 126 VAL CG2 C 13 22.01 0.05 . 1 . . . . A 105 VAL CG2 . 34488 1 994 . 1 . 1 126 126 VAL N N 15 118.84 0.05 . 1 . . . . A 105 VAL N . 34488 1 995 . 1 . 1 127 127 ALA H H 1 8.27 0.02 . 1 . . . . A 106 ALA H . 34488 1 996 . 1 . 1 127 127 ALA HA H 1 4.18 0.02 . 1 . . . . A 106 ALA HA . 34488 1 997 . 1 . 1 127 127 ALA HB1 H 1 1.67 0.02 . 1 . . . . A 106 ALA HB1 . 34488 1 998 . 1 . 1 127 127 ALA HB2 H 1 1.67 0.02 . 1 . . . . A 106 ALA HB2 . 34488 1 999 . 1 . 1 127 127 ALA HB3 H 1 1.67 0.02 . 1 . . . . A 106 ALA HB3 . 34488 1 1000 . 1 . 1 127 127 ALA C C 13 180.44 0.05 . 1 . . . . A 106 ALA C . 34488 1 1001 . 1 . 1 127 127 ALA CA C 13 54.65 0.05 . 1 . . . . A 106 ALA CA . 34488 1 1002 . 1 . 1 127 127 ALA CB C 13 17.01 0.05 . 1 . . . . A 106 ALA CB . 34488 1 1003 . 1 . 1 127 127 ALA N N 15 122.65 0.05 . 1 . . . . A 106 ALA N . 34488 1 1004 . 1 . 1 128 128 GLU H H 1 7.94 0.02 . 1 . . . . A 107 GLU H . 34488 1 1005 . 1 . 1 128 128 GLU HA H 1 4.19 0.02 . 1 . . . . A 107 GLU HA . 34488 1 1006 . 1 . 1 128 128 GLU C C 13 179.05 0.05 . 1 . . . . A 107 GLU C . 34488 1 1007 . 1 . 1 128 128 GLU CA C 13 58.73 0.05 . 1 . . . . A 107 GLU CA . 34488 1 1008 . 1 . 1 128 128 GLU CB C 13 29.18 0.05 . 1 . . . . A 107 GLU CB . 34488 1 1009 . 1 . 1 128 128 GLU CG C 13 35.76 0.05 . 1 . . . . A 107 GLU CG . 34488 1 1010 . 1 . 1 128 128 GLU N N 15 118.82 0.05 . 1 . . . . A 107 GLU N . 34488 1 1011 . 1 . 1 129 129 ILE H H 1 7.97 0.02 . 1 . . . . A 108 ILE H . 34488 1 1012 . 1 . 1 129 129 ILE HA H 1 3.73 0.02 . 1 . . . . A 108 ILE HA . 34488 1 1013 . 1 . 1 129 129 ILE HB H 1 2.26 0.02 . 1 . . . . A 108 ILE HB . 34488 1 1014 . 1 . 1 129 129 ILE HG12 H 1 2.16 0.02 . 1 . . . . A 108 ILE HG12 . 34488 1 1015 . 1 . 1 129 129 ILE HG13 H 1 1.03 0.02 . 1 . . . . A 108 ILE HG13 . 34488 1 1016 . 1 . 1 129 129 ILE C C 13 176.76 0.05 . 1 . . . . A 108 ILE C . 34488 1 1017 . 1 . 1 129 129 ILE CA C 13 65.63 0.05 . 1 . . . . A 108 ILE CA . 34488 1 1018 . 1 . 1 129 129 ILE CB C 13 37.51 0.05 . 1 . . . . A 108 ILE CB . 34488 1 1019 . 1 . 1 129 129 ILE CG1 C 13 30.24 0.05 . 1 . . . . A 108 ILE CG1 . 34488 1 1020 . 1 . 1 129 129 ILE N N 15 120.06 0.05 . 1 . . . . A 108 ILE N . 34488 1 1021 . 1 . 1 130 130 LYS H H 1 8.67 0.02 . 1 . . . . A 109 LYS H . 34488 1 1022 . 1 . 1 130 130 LYS HA H 1 3.77 0.02 . 1 . . . . A 109 LYS HA . 34488 1 1023 . 1 . 1 130 130 LYS HB2 H 1 1.97 0.02 . 1 . . . . A 109 LYS HB2 . 34488 1 1024 . 1 . 1 130 130 LYS HB3 H 1 1.97 0.02 . 1 . . . . A 109 LYS HB3 . 34488 1 1025 . 1 . 1 130 130 LYS HG2 H 1 1.73 0.02 . 1 . . . . A 109 LYS HG2 . 34488 1 1026 . 1 . 1 130 130 LYS HG3 H 1 1.42 0.02 . 1 . . . . A 109 LYS HG3 . 34488 1 1027 . 1 . 1 130 130 LYS HD2 H 1 1.85 0.02 . 1 . . . . A 109 LYS HD2 . 34488 1 1028 . 1 . 1 130 130 LYS HD3 H 1 1.73 0.02 . 1 . . . . A 109 LYS HD3 . 34488 1 1029 . 1 . 1 130 130 LYS HE2 H 1 3.02 0.02 . 1 . . . . A 109 LYS HE2 . 34488 1 1030 . 1 . 1 130 130 LYS HE3 H 1 3.02 0.02 . 1 . . . . A 109 LYS HE3 . 34488 1 1031 . 1 . 1 130 130 LYS C C 13 177.04 0.05 . 1 . . . . A 109 LYS C . 34488 1 1032 . 1 . 1 130 130 LYS CA C 13 60.25 0.05 . 1 . . . . A 109 LYS CA . 34488 1 1033 . 1 . 1 130 130 LYS CB C 13 31.23 0.05 . 1 . . . . A 109 LYS CB . 34488 1 1034 . 1 . 1 130 130 LYS CG C 13 24.68 0.05 . 1 . . . . A 109 LYS CG . 34488 1 1035 . 1 . 1 130 130 LYS CD C 13 28.68 0.05 . 1 . . . . A 109 LYS CD . 34488 1 1036 . 1 . 1 130 130 LYS CE C 13 40.25 0.05 . 1 . . . . A 109 LYS CE . 34488 1 1037 . 1 . 1 130 130 LYS N N 15 118.65 0.05 . 1 . . . . A 109 LYS N . 34488 1 1038 . 1 . 1 131 131 ALA H H 1 7.88 0.02 . 1 . . . . A 110 ALA H . 34488 1 1039 . 1 . 1 131 131 ALA HA H 1 4.16 0.02 . 1 . . . . A 110 ALA HA . 34488 1 1040 . 1 . 1 131 131 ALA HB1 H 1 1.58 0.02 . 1 . . . . A 110 ALA HB1 . 34488 1 1041 . 1 . 1 131 131 ALA HB2 H 1 1.58 0.02 . 1 . . . . A 110 ALA HB2 . 34488 1 1042 . 1 . 1 131 131 ALA HB3 H 1 1.58 0.02 . 1 . . . . A 110 ALA HB3 . 34488 1 1043 . 1 . 1 131 131 ALA C C 13 179.75 0.05 . 1 . . . . A 110 ALA C . 34488 1 1044 . 1 . 1 131 131 ALA CA C 13 54.24 0.05 . 1 . . . . A 110 ALA CA . 34488 1 1045 . 1 . 1 131 131 ALA CB C 13 17.17 0.05 . 1 . . . . A 110 ALA CB . 34488 1 1046 . 1 . 1 131 131 ALA N N 15 118.57 0.05 . 1 . . . . A 110 ALA N . 34488 1 1047 . 1 . 1 132 132 LEU H H 1 7.59 0.02 . 1 . . . . A 111 LEU H . 34488 1 1048 . 1 . 1 132 132 LEU HA H 1 4.16 0.02 . 1 . . . . A 111 LEU HA . 34488 1 1049 . 1 . 1 132 132 LEU HB2 H 1 1.99 0.02 . 1 . . . . A 111 LEU HB2 . 34488 1 1050 . 1 . 1 132 132 LEU HB3 H 1 1.72 0.02 . 1 . . . . A 111 LEU HB3 . 34488 1 1051 . 1 . 1 132 132 LEU HG H 1 1.9 0.02 . 1 . . . . A 111 LEU HG . 34488 1 1052 . 1 . 1 132 132 LEU HD11 H 1 0.96 0.02 . 1 . . . . A 111 LEU HD11 . 34488 1 1053 . 1 . 1 132 132 LEU HD12 H 1 0.96 0.02 . 1 . . . . A 111 LEU HD12 . 34488 1 1054 . 1 . 1 132 132 LEU HD13 H 1 0.96 0.02 . 1 . . . . A 111 LEU HD13 . 34488 1 1055 . 1 . 1 132 132 LEU HD21 H 1 1.03 0.02 . 1 . . . . A 111 LEU HD21 . 34488 1 1056 . 1 . 1 132 132 LEU HD22 H 1 1.03 0.02 . 1 . . . . A 111 LEU HD22 . 34488 1 1057 . 1 . 1 132 132 LEU HD23 H 1 1.03 0.02 . 1 . . . . A 111 LEU HD23 . 34488 1 1058 . 1 . 1 132 132 LEU C C 13 178.52 0.05 . 1 . . . . A 111 LEU C . 34488 1 1059 . 1 . 1 132 132 LEU CA C 13 57.08 0.05 . 1 . . . . A 111 LEU CA . 34488 1 1060 . 1 . 1 132 132 LEU CB C 13 41.61 0.05 . 1 . . . . A 111 LEU CB . 34488 1 1061 . 1 . 1 132 132 LEU CG C 13 26.32 0.05 . 1 . . . . A 111 LEU CG . 34488 1 1062 . 1 . 1 132 132 LEU CD1 C 13 25.36 0.05 . 1 . . . . A 111 LEU CD1 . 34488 1 1063 . 1 . 1 132 132 LEU CD2 C 13 22.53 0.05 . 1 . . . . A 111 LEU CD2 . 34488 1 1064 . 1 . 1 132 132 LEU N N 15 118.32 0.05 . 1 . . . . A 111 LEU N . 34488 1 1065 . 1 . 1 133 133 LEU H H 1 7.78 0.02 . 1 . . . . A 112 LEU H . 34488 1 1066 . 1 . 1 133 133 LEU HA H 1 4.1 0.02 . 1 . . . . A 112 LEU HA . 34488 1 1067 . 1 . 1 133 133 LEU HB2 H 1 1.83 0.02 . 1 . . . . A 112 LEU HB2 . 34488 1 1068 . 1 . 1 133 133 LEU HB3 H 1 1.24 0.02 . 1 . . . . A 112 LEU HB3 . 34488 1 1069 . 1 . 1 133 133 LEU HD11 H 1 0.65 0.02 . 1 . . . . A 112 LEU HD11 . 34488 1 1070 . 1 . 1 133 133 LEU HD12 H 1 0.65 0.02 . 1 . . . . A 112 LEU HD12 . 34488 1 1071 . 1 . 1 133 133 LEU HD13 H 1 0.65 0.02 . 1 . . . . A 112 LEU HD13 . 34488 1 1072 . 1 . 1 133 133 LEU HD21 H 1 0.86 0.02 . 1 . . . . A 112 LEU HD21 . 34488 1 1073 . 1 . 1 133 133 LEU HD22 H 1 0.86 0.02 . 1 . . . . A 112 LEU HD22 . 34488 1 1074 . 1 . 1 133 133 LEU HD23 H 1 0.86 0.02 . 1 . . . . A 112 LEU HD23 . 34488 1 1075 . 1 . 1 133 133 LEU C C 13 179.49 0.05 . 1 . . . . A 112 LEU C . 34488 1 1076 . 1 . 1 133 133 LEU CA C 13 56.62 0.05 . 1 . . . . A 112 LEU CA . 34488 1 1077 . 1 . 1 133 133 LEU CB C 13 40.12 0.05 . 1 . . . . A 112 LEU CB . 34488 1 1078 . 1 . 1 133 133 LEU CG C 13 25.2 0.05 . 1 . . . . A 112 LEU CG . 34488 1 1079 . 1 . 1 133 133 LEU CD1 C 13 25.06 0.05 . 1 . . . . A 112 LEU CD1 . 34488 1 1080 . 1 . 1 133 133 LEU CD2 C 13 21.67 0.05 . 1 . . . . A 112 LEU CD2 . 34488 1 1081 . 1 . 1 133 133 LEU N N 15 116.17 0.05 . 1 . . . . A 112 LEU N . 34488 1 1082 . 1 . 1 134 134 ILE H H 1 8.21 0.02 . 1 . . . . A 113 ILE H . 34488 1 1083 . 1 . 1 134 134 ILE HA H 1 4.03 0.02 . 1 . . . . A 113 ILE HA . 34488 1 1084 . 1 . 1 134 134 ILE HB H 1 2.02 0.02 . 1 . . . . A 113 ILE HB . 34488 1 1085 . 1 . 1 134 134 ILE HG12 H 1 1.73 0.02 . 1 . . . . A 113 ILE HG12 . 34488 1 1086 . 1 . 1 134 134 ILE HG13 H 1 1.41 0.02 . 1 . . . . A 113 ILE HG13 . 34488 1 1087 . 1 . 1 134 134 ILE C C 13 176.86 0.05 . 1 . . . . A 113 ILE C . 34488 1 1088 . 1 . 1 134 134 ILE CA C 13 63 0.05 . 1 . . . . A 113 ILE CA . 34488 1 1089 . 1 . 1 134 134 ILE CB C 13 37.13 0.05 . 1 . . . . A 113 ILE CB . 34488 1 1090 . 1 . 1 134 134 ILE CG1 C 13 28.13 0.05 . 1 . . . . A 113 ILE CG1 . 34488 1 1091 . 1 . 1 134 134 ILE N N 15 116.73 0.05 . 1 . . . . A 113 ILE N . 34488 1 1092 . 1 . 1 135 135 ASN H H 1 7.56 0.02 . 1 . . . . A 114 ASN H . 34488 1 1093 . 1 . 1 135 135 ASN HA H 1 4.72 0.02 . 1 . . . . A 114 ASN HA . 34488 1 1094 . 1 . 1 135 135 ASN HB2 H 1 3.08 0.02 . 1 . . . . A 114 ASN HB2 . 34488 1 1095 . 1 . 1 135 135 ASN HB3 H 1 2.97 0.02 . 1 . . . . A 114 ASN HB3 . 34488 1 1096 . 1 . 1 135 135 ASN C C 13 176.1 0.05 . 1 . . . . A 114 ASN C . 34488 1 1097 . 1 . 1 135 135 ASN CA C 13 53.77 0.05 . 1 . . . . A 114 ASN CA . 34488 1 1098 . 1 . 1 135 135 ASN CB C 13 38.37 0.05 . 1 . . . . A 114 ASN CB . 34488 1 1099 . 1 . 1 135 135 ASN N N 15 116.82 0.05 . 1 . . . . A 114 ASN N . 34488 1 1100 . 1 . 1 136 136 ILE H H 1 7.68 0.02 . 1 . . . . A 115 ILE H . 34488 1 1101 . 1 . 1 136 136 ILE HB H 1 2.29 0.02 . 1 . . . . A 115 ILE HB . 34488 1 1102 . 1 . 1 136 136 ILE HG12 H 1 2.14 0.02 . 1 . . . . A 115 ILE HG12 . 34488 1 1103 . 1 . 1 136 136 ILE HG13 H 1 1.3 0.02 . 1 . . . . A 115 ILE HG13 . 34488 1 1104 . 1 . 1 136 136 ILE C C 13 174.52 0.05 . 1 . . . . A 115 ILE C . 34488 1 1105 . 1 . 1 136 136 ILE CA C 13 63.95 0.05 . 1 . . . . A 115 ILE CA . 34488 1 1106 . 1 . 1 136 136 ILE CB C 13 37.21 0.05 . 1 . . . . A 115 ILE CB . 34488 1 1107 . 1 . 1 136 136 ILE CG1 C 13 28.19 0.05 . 1 . . . . A 115 ILE CG1 . 34488 1 1108 . 1 . 1 136 136 ILE N N 15 117.04 0.05 . 1 . . . . A 115 ILE N . 34488 1 1109 . 1 . 1 137 137 TYR H H 1 7.67 0.02 . 1 . . . . A 116 TYR H . 34488 1 1110 . 1 . 1 137 137 TYR HA H 1 4.91 0.02 . 1 . . . . A 116 TYR HA . 34488 1 1111 . 1 . 1 137 137 TYR HB2 H 1 3.2 0.02 . 1 . . . . A 116 TYR HB2 . 34488 1 1112 . 1 . 1 137 137 TYR HB3 H 1 2.95 0.02 . 1 . . . . A 116 TYR HB3 . 34488 1 1113 . 1 . 1 137 137 TYR HD1 H 1 7.15 0.02 . 1 . . . . A 116 TYR HD1 . 34488 1 1114 . 1 . 1 137 137 TYR HD2 H 1 7.15 0.02 . 1 . . . . A 116 TYR HD2 . 34488 1 1115 . 1 . 1 137 137 TYR HE1 H 1 6.81 0.02 . 1 . . . . A 116 TYR HE1 . 34488 1 1116 . 1 . 1 137 137 TYR HE2 H 1 6.81 0.02 . 1 . . . . A 116 TYR HE2 . 34488 1 1117 . 1 . 1 137 137 TYR C C 13 173.64 0.05 . 1 . . . . A 116 TYR C . 34488 1 1118 . 1 . 1 137 137 TYR CA C 13 56.21 0.05 . 1 . . . . A 116 TYR CA . 34488 1 1119 . 1 . 1 137 137 TYR CB C 13 39.54 0.05 . 1 . . . . A 116 TYR CB . 34488 1 1120 . 1 . 1 137 137 TYR CD1 C 13 133.64 0.05 . 1 . . . . A 116 TYR CD1 . 34488 1 1121 . 1 . 1 137 137 TYR CD2 C 13 133.64 0.05 . 1 . . . . A 116 TYR CD2 . 34488 1 1122 . 1 . 1 137 137 TYR CE1 C 13 120.92 0.05 . 1 . . . . A 116 TYR CE1 . 34488 1 1123 . 1 . 1 137 137 TYR CE2 C 13 120.92 0.05 . 1 . . . . A 116 TYR CE2 . 34488 1 1124 . 1 . 1 137 137 TYR N N 15 117.34 0.05 . 1 . . . . A 116 TYR N . 34488 1 1125 . 1 . 1 138 138 LYS H H 1 7.53 0.02 . 1 . . . . A 117 LYS H . 34488 1 1126 . 1 . 1 138 138 LYS HA H 1 4.12 0.02 . 1 . . . . A 117 LYS HA . 34488 1 1127 . 1 . 1 138 138 LYS HB2 H 1 1.79 0.02 . 1 . . . . A 117 LYS HB2 . 34488 1 1128 . 1 . 1 138 138 LYS HB3 H 1 1.68 0.02 . 1 . . . . A 117 LYS HB3 . 34488 1 1129 . 1 . 1 138 138 LYS HG2 H 1 1.3 0.02 . 1 . . . . A 117 LYS HG2 . 34488 1 1130 . 1 . 1 138 138 LYS HG3 H 1 1.3 0.02 . 1 . . . . A 117 LYS HG3 . 34488 1 1131 . 1 . 1 138 138 LYS HD2 H 1 1.68 0.02 . 1 . . . . A 117 LYS HD2 . 34488 1 1132 . 1 . 1 138 138 LYS HD3 H 1 1.68 0.02 . 1 . . . . A 117 LYS HD3 . 34488 1 1133 . 1 . 1 138 138 LYS HE2 H 1 3.03 0.02 . 1 . . . . A 117 LYS HE2 . 34488 1 1134 . 1 . 1 138 138 LYS HE3 H 1 3.03 0.02 . 1 . . . . A 117 LYS HE3 . 34488 1 1135 . 1 . 1 138 138 LYS CA C 13 56.96 0.05 . 1 . . . . A 117 LYS CA . 34488 1 1136 . 1 . 1 138 138 LYS CB C 13 32.98 0.05 . 1 . . . . A 117 LYS CB . 34488 1 1137 . 1 . 1 138 138 LYS CG C 13 23.83 0.05 . 1 . . . . A 117 LYS CG . 34488 1 1138 . 1 . 1 138 138 LYS CD C 13 28.26 0.05 . 1 . . . . A 117 LYS CD . 34488 1 1139 . 1 . 1 138 138 LYS CE C 13 41.42 0.05 . 1 . . . . A 117 LYS CE . 34488 1 1140 . 1 . 1 138 138 LYS N N 15 109.74 0.05 . 1 . . . . A 117 LYS N . 34488 1 stop_ save_