data_27755 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27755 _Entry.Title ; The cytoplasm-entry domain of antibacterial CdiA is a dynamic alpha-helical bundle with disulfide-dependent structural features ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-01-16 _Entry.Accession_date 2019-01-16 _Entry.Last_release_date 2019-01-16 _Entry.Original_release_date 2019-01-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Nicholas Bartelli . L. . . 27755 2 Sheng Sun . . . . 27755 3 Grant Gucinski . C. . . 27755 4 Hongjun Zhou . . . . 27755 5 Kiho Song . . . . 27755 6 Christopher Hayes . S. . . 27755 7 Frederick Dahlquist . . . . 27755 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27755 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of California Santa Barbara' . 27755 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27755 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 418 27755 '15N chemical shifts' 138 27755 '1H chemical shifts' 847 27755 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 2 . . 2019-09-23 2019-01-16 update BMRB 'update entry citation' 27755 1 . . 2019-01-18 2019-01-16 original author 'original release' 27755 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27753 'CdiA-CT MHI813 cytoplasm entry domain monomer' 27755 BMRB 27754 'CdiA-CT MHI813 Cys21Ser Cys27Ser cytoplasm entry domain monomer' 27755 NCBI WP_001383049.1 'CdiA from Escherichia coli MHI813' 27755 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27755 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31181288 _Citation.Full_citation . _Citation.Title ; The Cytoplasm-Entry Domain of Antibacterial CdiA Is a Dynamic alpha-Helical Bundle with Disulfide-Dependent Structural Features ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 431 _Citation.Journal_issue 17 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last 3203 _Citation.Year 3216 _Citation.Details 2019 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 Nicholas Bartelli . L. . . 27755 1 2 Sheng Sun . . . . 27755 1 3 Grant Gucinski . C. . . 27755 1 4 Hongjun Zhou . . . . 27755 1 5 Kiho Song . . . . 27755 1 6 Christopher Hayes . S. . . 27755 1 7 Frederick Dahlquist . W. . . 27755 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CdiA 27755 1 MetI 27755 1 T5SS 27755 1 antibacterial 27755 1 'cytoplasm entry' 27755 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 27755 _Assembly.ID 1 _Assembly.Name 'CdiA-CT C49S C56S' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 15911 _Assembly.Enzyme_commission_number . _Assembly.Details 'CdiA-CT MHI813 Cys49Ser Cys56Ser cytoplasm entry domain monomer' _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 'CdiA-CT C49S C56S' 1 $CdiA-CT_C49S_C56S A . yes native no no . . . 27755 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 21 21 SG . 1 . 1 CYS 27 27 SG . . . . . . . . . . . . 27755 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'entry of nuclease toxin into bacterial cytoplasm' 27755 1 'metI dependent bacterial cytoplasm entry' 27755 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CdiA-CT_C49S_C56S _Entity.Sf_category entity _Entity.Sf_framecode CdiA-CT_C49S_C56S _Entity.Entry_ID 27755 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CdiA-CT_C49S_C56S _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VENNFLTADQIDSFAAKAKG CEVRGDCKQIVKEMEELSLK QQQEMIAVSATNPAASKEKF GDIPAKGMLVREAIDRVLGT DVPSAMKNDMSSLLAQQIEA EGVVTSTEFASQLQNRYGID KQQAEILAVAALGAVTGGMG KSGTSTVTKN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'cytoplasm entry domain' _Entity.Mutation 'Cys49Ser, Cys56Ser' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15911 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI WP_001383049.1 . . . . . . . . . . . . . . . . 27755 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Entry of nuclease toxin into bacterial cytoplasm' 27755 1 'metI dependent bacterial cytoplasm entry' 27755 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . VAL . 27755 1 2 . GLU . 27755 1 3 . ASN . 27755 1 4 . ASN . 27755 1 5 . PHE . 27755 1 6 . LEU . 27755 1 7 . THR . 27755 1 8 . ALA . 27755 1 9 . ASP . 27755 1 10 . GLN . 27755 1 11 . ILE . 27755 1 12 . ASP . 27755 1 13 . SER . 27755 1 14 . PHE . 27755 1 15 . ALA . 27755 1 16 . ALA . 27755 1 17 . LYS . 27755 1 18 . ALA . 27755 1 19 . LYS . 27755 1 20 . GLY . 27755 1 21 . CYS . 27755 1 22 . GLU . 27755 1 23 . VAL . 27755 1 24 . ARG . 27755 1 25 . GLY . 27755 1 26 . ASP . 27755 1 27 . CYS . 27755 1 28 . LYS . 27755 1 29 . GLN . 27755 1 30 . ILE . 27755 1 31 . VAL . 27755 1 32 . LYS . 27755 1 33 . GLU . 27755 1 34 . MET . 27755 1 35 . GLU . 27755 1 36 . GLU . 27755 1 37 . LEU . 27755 1 38 . SER . 27755 1 39 . LEU . 27755 1 40 . LYS . 27755 1 41 . GLN . 27755 1 42 . GLN . 27755 1 43 . GLN . 27755 1 44 . GLU . 27755 1 45 . MET . 27755 1 46 . ILE . 27755 1 47 . ALA . 27755 1 48 . VAL . 27755 1 49 . SER . 27755 1 50 . ALA . 27755 1 51 . THR . 27755 1 52 . ASN . 27755 1 53 . PRO . 27755 1 54 . ALA . 27755 1 55 . ALA . 27755 1 56 . SER . 27755 1 57 . LYS . 27755 1 58 . GLU . 27755 1 59 . LYS . 27755 1 60 . PHE . 27755 1 61 . GLY . 27755 1 62 . ASP . 27755 1 63 . ILE . 27755 1 64 . PRO . 27755 1 65 . ALA . 27755 1 66 . LYS . 27755 1 67 . GLY . 27755 1 68 . MET . 27755 1 69 . LEU . 27755 1 70 . VAL . 27755 1 71 . ARG . 27755 1 72 . GLU . 27755 1 73 . ALA . 27755 1 74 . ILE . 27755 1 75 . ASP . 27755 1 76 . ARG . 27755 1 77 . VAL . 27755 1 78 . LEU . 27755 1 79 . GLY . 27755 1 80 . THR . 27755 1 81 . ASP . 27755 1 82 . VAL . 27755 1 83 . PRO . 27755 1 84 . SER . 27755 1 85 . ALA . 27755 1 86 . MET . 27755 1 87 . LYS . 27755 1 88 . ASN . 27755 1 89 . ASP . 27755 1 90 . MET . 27755 1 91 . SER . 27755 1 92 . SER . 27755 1 93 . LEU . 27755 1 94 . LEU . 27755 1 95 . ALA . 27755 1 96 . GLN . 27755 1 97 . GLN . 27755 1 98 . ILE . 27755 1 99 . GLU . 27755 1 100 . ALA . 27755 1 101 . GLU . 27755 1 102 . GLY . 27755 1 103 . VAL . 27755 1 104 . VAL . 27755 1 105 . THR . 27755 1 106 . SER . 27755 1 107 . THR . 27755 1 108 . GLU . 27755 1 109 . PHE . 27755 1 110 . ALA . 27755 1 111 . SER . 27755 1 112 . GLN . 27755 1 113 . LEU . 27755 1 114 . GLN . 27755 1 115 . ASN . 27755 1 116 . ARG . 27755 1 117 . TYR . 27755 1 118 . GLY . 27755 1 119 . ILE . 27755 1 120 . ASP . 27755 1 121 . LYS . 27755 1 122 . GLN . 27755 1 123 . GLN . 27755 1 124 . ALA . 27755 1 125 . GLU . 27755 1 126 . ILE . 27755 1 127 . LEU . 27755 1 128 . ALA . 27755 1 129 . VAL . 27755 1 130 . ALA . 27755 1 131 . ALA . 27755 1 132 . LEU . 27755 1 133 . GLY . 27755 1 134 . ALA . 27755 1 135 . VAL . 27755 1 136 . THR . 27755 1 137 . GLY . 27755 1 138 . GLY . 27755 1 139 . MET . 27755 1 140 . GLY . 27755 1 141 . LYS . 27755 1 142 . SER . 27755 1 143 . GLY . 27755 1 144 . THR . 27755 1 145 . SER . 27755 1 146 . THR . 27755 1 147 . VAL . 27755 1 148 . THR . 27755 1 149 . LYS . 27755 1 150 . ASN . 27755 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 . VAL 1 1 27755 1 . GLU 2 2 27755 1 . ASN 3 3 27755 1 . ASN 4 4 27755 1 . PHE 5 5 27755 1 . LEU 6 6 27755 1 . THR 7 7 27755 1 . ALA 8 8 27755 1 . ASP 9 9 27755 1 . GLN 10 10 27755 1 . ILE 11 11 27755 1 . ASP 12 12 27755 1 . SER 13 13 27755 1 . PHE 14 14 27755 1 . ALA 15 15 27755 1 . ALA 16 16 27755 1 . LYS 17 17 27755 1 . ALA 18 18 27755 1 . LYS 19 19 27755 1 . GLY 20 20 27755 1 . CYS 21 21 27755 1 . GLU 22 22 27755 1 . VAL 23 23 27755 1 . ARG 24 24 27755 1 . GLY 25 25 27755 1 . ASP 26 26 27755 1 . CYS 27 27 27755 1 . LYS 28 28 27755 1 . GLN 29 29 27755 1 . ILE 30 30 27755 1 . VAL 31 31 27755 1 . LYS 32 32 27755 1 . GLU 33 33 27755 1 . MET 34 34 27755 1 . GLU 35 35 27755 1 . GLU 36 36 27755 1 . LEU 37 37 27755 1 . SER 38 38 27755 1 . LEU 39 39 27755 1 . LYS 40 40 27755 1 . GLN 41 41 27755 1 . GLN 42 42 27755 1 . GLN 43 43 27755 1 . GLU 44 44 27755 1 . MET 45 45 27755 1 . ILE 46 46 27755 1 . ALA 47 47 27755 1 . VAL 48 48 27755 1 . SER 49 49 27755 1 . ALA 50 50 27755 1 . THR 51 51 27755 1 . ASN 52 52 27755 1 . PRO 53 53 27755 1 . ALA 54 54 27755 1 . ALA 55 55 27755 1 . SER 56 56 27755 1 . LYS 57 57 27755 1 . GLU 58 58 27755 1 . LYS 59 59 27755 1 . PHE 60 60 27755 1 . GLY 61 61 27755 1 . ASP 62 62 27755 1 . ILE 63 63 27755 1 . PRO 64 64 27755 1 . ALA 65 65 27755 1 . LYS 66 66 27755 1 . GLY 67 67 27755 1 . MET 68 68 27755 1 . LEU 69 69 27755 1 . VAL 70 70 27755 1 . ARG 71 71 27755 1 . GLU 72 72 27755 1 . ALA 73 73 27755 1 . ILE 74 74 27755 1 . ASP 75 75 27755 1 . ARG 76 76 27755 1 . VAL 77 77 27755 1 . LEU 78 78 27755 1 . GLY 79 79 27755 1 . THR 80 80 27755 1 . ASP 81 81 27755 1 . VAL 82 82 27755 1 . PRO 83 83 27755 1 . SER 84 84 27755 1 . ALA 85 85 27755 1 . MET 86 86 27755 1 . LYS 87 87 27755 1 . ASN 88 88 27755 1 . ASP 89 89 27755 1 . MET 90 90 27755 1 . SER 91 91 27755 1 . SER 92 92 27755 1 . LEU 93 93 27755 1 . LEU 94 94 27755 1 . ALA 95 95 27755 1 . GLN 96 96 27755 1 . GLN 97 97 27755 1 . ILE 98 98 27755 1 . GLU 99 99 27755 1 . ALA 100 100 27755 1 . GLU 101 101 27755 1 . GLY 102 102 27755 1 . VAL 103 103 27755 1 . VAL 104 104 27755 1 . THR 105 105 27755 1 . SER 106 106 27755 1 . THR 107 107 27755 1 . GLU 108 108 27755 1 . PHE 109 109 27755 1 . ALA 110 110 27755 1 . SER 111 111 27755 1 . GLN 112 112 27755 1 . LEU 113 113 27755 1 . GLN 114 114 27755 1 . ASN 115 115 27755 1 . ARG 116 116 27755 1 . TYR 117 117 27755 1 . GLY 118 118 27755 1 . ILE 119 119 27755 1 . ASP 120 120 27755 1 . LYS 121 121 27755 1 . GLN 122 122 27755 1 . GLN 123 123 27755 1 . ALA 124 124 27755 1 . GLU 125 125 27755 1 . ILE 126 126 27755 1 . LEU 127 127 27755 1 . ALA 128 128 27755 1 . VAL 129 129 27755 1 . ALA 130 130 27755 1 . ALA 131 131 27755 1 . LEU 132 132 27755 1 . GLY 133 133 27755 1 . ALA 134 134 27755 1 . VAL 135 135 27755 1 . THR 136 136 27755 1 . GLY 137 137 27755 1 . GLY 138 138 27755 1 . MET 139 139 27755 1 . GLY 140 140 27755 1 . LYS 141 141 27755 1 . SER 142 142 27755 1 . GLY 143 143 27755 1 . THR 144 144 27755 1 . SER 145 145 27755 1 . THR 146 146 27755 1 . VAL 147 147 27755 1 . THR 148 148 27755 1 . LYS 149 149 27755 1 . ASN 150 150 27755 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 27755 _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 $CdiA-CT_C49S_C56S . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli MHI813 . . . . . . . . . . cdiA 'antibacterial contact dependent inhibition toxin' 27755 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 27755 _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 $CdiA-CT_C49S_C56S . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21d . . . 27755 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27755 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'CdiA-CT Cys49Ser Cys56Ser with cysteines oxidized as a disulfide' _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 'CdiA-CT C49S C56S' '[U-99% 13C; U-99% 15N]' . . 1 $CdiA-CT_C49S_C56S . . 1.2 . . mM . . . . 27755 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27755 1 3 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 27755 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 27755 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details 'These details applicable to all samples' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 27755 1 pH 6.5 . pH 27755 1 pressure 1 . atm 27755 1 temperature 273 . K 27755 1 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 27755 _Software.ID 1 _Software.Type . _Software.Name ANSIG _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 27755 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27755 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27755 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27755 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27755 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27755 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27755 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 27755 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 27755 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27755 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27755 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27755 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27755 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27755 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27755 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27755 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27755 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 27755 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HNCACB' . . . 27755 1 4 '3D CBCA(CO)NH' . . . 27755 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $ANSIG . . 27755 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 1 1 VAL H H 1 8.075 0.02 . 1 . . . . . 1 VAL HN . 27755 1 2 . 1 1 1 1 VAL HA H 1 4.12 0.02 . 1 . . . . . 1 VAL HA . 27755 1 3 . 1 1 1 1 VAL HB H 1 2.05 0.02 . 1 . . . . . 1 VAL HB . 27755 1 4 . 1 1 1 1 VAL HG11 H 1 0.921 0.02 . 1 . . . . . 1 VAL HG . 27755 1 5 . 1 1 1 1 VAL HG12 H 1 0.921 0.02 . 1 . . . . . 1 VAL HG . 27755 1 6 . 1 1 1 1 VAL HG13 H 1 0.921 0.02 . 1 . . . . . 1 VAL HG . 27755 1 7 . 1 1 1 1 VAL HG21 H 1 0.921 0.02 . 1 . . . . . 1 VAL HG . 27755 1 8 . 1 1 1 1 VAL HG22 H 1 0.921 0.02 . 1 . . . . . 1 VAL HG . 27755 1 9 . 1 1 1 1 VAL HG23 H 1 0.921 0.02 . 1 . . . . . 1 VAL HG . 27755 1 10 . 1 1 1 1 VAL CA C 13 62.454 0.3 . 1 . . . . . 1 VAL CA . 27755 1 11 . 1 1 1 1 VAL CB C 13 32.803 0.3 . 1 . . . . . 1 VAL CB . 27755 1 12 . 1 1 1 1 VAL CG1 C 13 21.026 0.3 . 1 . . . . . 1 VAL CG# . 27755 1 13 . 1 1 1 1 VAL CG2 C 13 21.026 0.3 . 1 . . . . . 1 VAL CG# . 27755 1 14 . 1 1 1 1 VAL N N 15 124.641 0.15 . 1 . . . . . 1 VAL N . 27755 1 15 . 1 1 2 2 GLU H H 1 8.619 0.02 . 1 . . . . . 2 GLU HN . 27755 1 16 . 1 1 2 2 GLU HA H 1 4.266 0.02 . 1 . . . . . 2 GLU HA . 27755 1 17 . 1 1 2 2 GLU HB2 H 1 2.042 0.02 . 2 . . . . . 2 GLU HB2 . 27755 1 18 . 1 1 2 2 GLU HB3 H 1 1.915 0.02 . 2 . . . . . 2 GLU HB3 . 27755 1 19 . 1 1 2 2 GLU HG2 H 1 2.235 0.02 . 1 . . . . . 2 GLU HG . 27755 1 20 . 1 1 2 2 GLU HG3 H 1 2.235 0.02 . 1 . . . . . 2 GLU HG . 27755 1 21 . 1 1 2 2 GLU CA C 13 56.62 0.3 . 1 . . . . . 2 GLU CA . 27755 1 22 . 1 1 2 2 GLU CB C 13 30.163 0.3 . 1 . . . . . 2 GLU CB . 27755 1 23 . 1 1 2 2 GLU CG C 13 36.197 0.3 . 1 . . . . . 2 GLU CG . 27755 1 24 . 1 1 2 2 GLU N N 15 124.824 0.15 . 1 . . . . . 2 GLU N . 27755 1 25 . 1 1 3 3 ASN H H 1 8.315 0.02 . 1 . . . . . 3 ASN HN . 27755 1 26 . 1 1 3 3 ASN HA H 1 4.622 0.02 . 1 . . . . . 3 ASN HA . 27755 1 27 . 1 1 3 3 ASN HB2 H 1 2.685 0.02 . 1 . . . . . 3 ASN HB . 27755 1 28 . 1 1 3 3 ASN HB3 H 1 2.685 0.02 . 1 . . . . . 3 ASN HB . 27755 1 29 . 1 1 3 3 ASN CA C 13 53.172 0.3 . 1 . . . . . 3 ASN CA . 27755 1 30 . 1 1 3 3 ASN CB C 13 38.957 0.3 . 1 . . . . . 3 ASN CB . 27755 1 31 . 1 1 3 3 ASN N N 15 119.459 0.15 . 1 . . . . . 3 ASN N . 27755 1 32 . 1 1 4 4 ASN H H 1 8.126 0.02 . 1 . . . . . 4 ASN HN . 27755 1 33 . 1 1 4 4 ASN HA H 1 4.549 0.02 . 1 . . . . . 4 ASN HA . 27755 1 34 . 1 1 4 4 ASN HB2 H 1 2.585 0.02 . 1 . . . . . 4 ASN HB . 27755 1 35 . 1 1 4 4 ASN HB3 H 1 2.585 0.02 . 1 . . . . . 4 ASN HB . 27755 1 36 . 1 1 4 4 ASN CA C 13 53.668 0.3 . 1 . . . . . 4 ASN CA . 27755 1 37 . 1 1 4 4 ASN CB C 13 38.92 0.3 . 1 . . . . . 4 ASN CB . 27755 1 38 . 1 1 4 4 ASN N N 15 117.94 0.15 . 1 . . . . . 4 ASN N . 27755 1 39 . 1 1 5 5 PHE H H 1 8.25 0.02 . 1 . . . . . 5 PHE HN . 27755 1 40 . 1 1 5 5 PHE HA H 1 4.489 0.02 . 1 . . . . . 5 PHE HA . 27755 1 41 . 1 1 5 5 PHE HB2 H 1 3.313 0.02 . 1 . . . . . 5 PHE HB2 . 27755 1 42 . 1 1 5 5 PHE HB3 H 1 3.112 0.02 . 1 . . . . . 5 PHE HB3 . 27755 1 43 . 1 1 5 5 PHE CA C 13 58.289 0.3 . 1 . . . . . 5 PHE CA . 27755 1 44 . 1 1 5 5 PHE CB C 13 38.604 0.3 . 1 . . . . . 5 PHE CB . 27755 1 45 . 1 1 5 5 PHE N N 15 118.451 0.15 . 1 . . . . . 5 PHE N . 27755 1 46 . 1 1 6 6 LEU H H 1 7.636 0.02 . 1 . . . . . 6 LEU HN . 27755 1 47 . 1 1 6 6 LEU HA H 1 4.629 0.02 . 1 . . . . . 6 LEU HA . 27755 1 48 . 1 1 6 6 LEU HB2 H 1 1.739 0.02 . 1 . . . . . 6 LEU HB2 . 27755 1 49 . 1 1 6 6 LEU HB3 H 1 1.729 0.02 . 1 . . . . . 6 LEU HB3 . 27755 1 50 . 1 1 6 6 LEU HG H 1 1.604 0.02 . 1 . . . . . 6 LEU HG . 27755 1 51 . 1 1 6 6 LEU HD11 H 1 0.863 0.02 . 2 . . . . . 6 LEU HD1 . 27755 1 52 . 1 1 6 6 LEU HD12 H 1 0.863 0.02 . 2 . . . . . 6 LEU HD1 . 27755 1 53 . 1 1 6 6 LEU HD13 H 1 0.863 0.02 . 2 . . . . . 6 LEU HD1 . 27755 1 54 . 1 1 6 6 LEU HD21 H 1 0.85 0.02 . 2 . . . . . 6 LEU HD2 . 27755 1 55 . 1 1 6 6 LEU HD22 H 1 0.85 0.02 . 2 . . . . . 6 LEU HD2 . 27755 1 56 . 1 1 6 6 LEU HD23 H 1 0.85 0.02 . 2 . . . . . 6 LEU HD2 . 27755 1 57 . 1 1 6 6 LEU CA C 13 54.031 0.3 . 1 . . . . . 6 LEU CA . 27755 1 58 . 1 1 6 6 LEU CB C 13 43.95 0.3 . 1 . . . . . 6 LEU CB . 27755 1 59 . 1 1 6 6 LEU CG C 13 26.378 0.3 . 1 . . . . . 6 LEU CG . 27755 1 60 . 1 1 6 6 LEU CD1 C 13 23.311 0.3 . 1 . . . . . 6 LEU CD . 27755 1 61 . 1 1 6 6 LEU CD2 C 13 23.311 0.3 . 1 . . . . . 6 LEU CD . 27755 1 62 . 1 1 6 6 LEU N N 15 119.581 0.15 . 1 . . . . . 6 LEU N . 27755 1 63 . 1 1 7 7 THR H H 1 8.836 0.02 . 1 . . . . . 7 THR HN . 27755 1 64 . 1 1 7 7 THR HA H 1 4.651 0.02 . 1 . . . . . 7 THR HA . 27755 1 65 . 1 1 7 7 THR HB H 1 4.435 0.02 . 1 . . . . . 7 THR HB . 27755 1 66 . 1 1 7 7 THR HG21 H 1 1.286 0.02 . 1 . . . . . 7 THR HG2 . 27755 1 67 . 1 1 7 7 THR HG22 H 1 1.286 0.02 . 1 . . . . . 7 THR HG2 . 27755 1 68 . 1 1 7 7 THR HG23 H 1 1.286 0.02 . 1 . . . . . 7 THR HG2 . 27755 1 69 . 1 1 7 7 THR CA C 13 60.733 0.3 . 1 . . . . . 7 THR CA . 27755 1 70 . 1 1 7 7 THR CB C 13 70.693 0.3 . 1 . . . . . 7 THR CB . 27755 1 71 . 1 1 7 7 THR CG2 C 13 21.807 0.3 . 1 . . . . . 7 THR CG2 . 27755 1 72 . 1 1 7 7 THR N N 15 112.834 0.15 . 1 . . . . . 7 THR N . 27755 1 73 . 1 1 8 8 ALA H H 1 8.822 0.02 . 1 . . . . . 8 ALA HN . 27755 1 74 . 1 1 8 8 ALA HA H 1 4.067 0.02 . 1 . . . . . 8 ALA HA . 27755 1 75 . 1 1 8 8 ALA HB1 H 1 1.477 0.02 . 1 . . . . . 8 ALA HB . 27755 1 76 . 1 1 8 8 ALA HB2 H 1 1.477 0.02 . 1 . . . . . 8 ALA HB . 27755 1 77 . 1 1 8 8 ALA HB3 H 1 1.477 0.02 . 1 . . . . . 8 ALA HB . 27755 1 78 . 1 1 8 8 ALA CA C 13 55.45 0.3 . 1 . . . . . 8 ALA CA . 27755 1 79 . 1 1 8 8 ALA CB C 13 18.302 0.3 . 1 . . . . . 8 ALA CB . 27755 1 80 . 1 1 8 8 ALA N N 15 123.768 0.15 . 1 . . . . . 8 ALA N . 27755 1 81 . 1 1 9 9 ASP H H 1 8.309 0.02 . 1 . . . . . 9 ASP HN . 27755 1 82 . 1 1 9 9 ASP HA H 1 4.434 0.02 . 1 . . . . . 9 ASP HA . 27755 1 83 . 1 1 9 9 ASP HB2 H 1 2.646 0.02 . 1 . . . . . 9 ASP HB2 . 27755 1 84 . 1 1 9 9 ASP HB3 H 1 2.573 0.02 . 1 . . . . . 9 ASP HB3 . 27755 1 85 . 1 1 9 9 ASP CA C 13 56.665 0.3 . 1 . . . . . 9 ASP CA . 27755 1 86 . 1 1 9 9 ASP CB C 13 40.604 0.3 . 1 . . . . . 9 ASP CB . 27755 1 87 . 1 1 9 9 ASP N N 15 115.578 0.15 . 1 . . . . . 9 ASP N . 27755 1 88 . 1 1 10 10 GLN H H 1 7.779 0.02 . 1 . . . . . 10 GLN HN . 27755 1 89 . 1 1 10 10 GLN HA H 1 4.092 0.02 . 1 . . . . . 10 GLN HA . 27755 1 90 . 1 1 10 10 GLN HB2 H 1 1.858 0.02 . 1 . . . . . 10 GLN HB . 27755 1 91 . 1 1 10 10 GLN HB3 H 1 1.858 0.02 . 1 . . . . . 10 GLN HB . 27755 1 92 . 1 1 10 10 GLN HG2 H 1 2.498 0.02 . 1 . . . . . 10 GLN HG2 . 27755 1 93 . 1 1 10 10 GLN HG3 H 1 2.444 0.02 . 1 . . . . . 10 GLN HG3 . 27755 1 94 . 1 1 10 10 GLN CA C 13 58.407 0.3 . 1 . . . . . 10 GLN CA . 27755 1 95 . 1 1 10 10 GLN CB C 13 28.868 0.3 . 1 . . . . . 10 GLN CB . 27755 1 96 . 1 1 10 10 GLN CG C 13 34.567 0.3 . 1 . . . . . 10 GLN CG . 27755 1 97 . 1 1 10 10 GLN N N 15 120.783 0.15 . 1 . . . . . 10 GLN N . 27755 1 98 . 1 1 11 11 ILE H H 1 8.511 0.02 . 1 . . . . . 11 ILE HN . 27755 1 99 . 1 1 11 11 ILE HA H 1 3.755 0.02 . 1 . . . . . 11 ILE HA . 27755 1 100 . 1 1 11 11 ILE HB H 1 2.427 0.02 . 1 . . . . . 11 ILE HB . 27755 1 101 . 1 1 11 11 ILE HG12 H 1 1.995 0.02 . 1 . . . . . 11 ILE HG1 . 27755 1 102 . 1 1 11 11 ILE HG13 H 1 1.995 0.02 . 1 . . . . . 11 ILE HG1 . 27755 1 103 . 1 1 11 11 ILE HG21 H 1 0.941 0.02 . 1 . . . . . 11 ILE HG2 . 27755 1 104 . 1 1 11 11 ILE HG22 H 1 0.941 0.02 . 1 . . . . . 11 ILE HG2 . 27755 1 105 . 1 1 11 11 ILE HG23 H 1 0.941 0.02 . 1 . . . . . 11 ILE HG2 . 27755 1 106 . 1 1 11 11 ILE HD11 H 1 0.816 0.02 . 1 . . . . . 11 ILE HD1 . 27755 1 107 . 1 1 11 11 ILE HD12 H 1 0.816 0.02 . 1 . . . . . 11 ILE HD1 . 27755 1 108 . 1 1 11 11 ILE HD13 H 1 0.816 0.02 . 1 . . . . . 11 ILE HD1 . 27755 1 109 . 1 1 11 11 ILE CA C 13 65.431 0.3 . 1 . . . . . 11 ILE CA . 27755 1 110 . 1 1 11 11 ILE CB C 13 37.895 0.3 . 1 . . . . . 11 ILE CB . 27755 1 111 . 1 1 11 11 ILE CG1 C 13 29.255 0.3 . 1 . . . . . 11 ILE CG1 . 27755 1 112 . 1 1 11 11 ILE CG2 C 13 17.085 0.3 . 1 . . . . . 11 ILE CG2 . 27755 1 113 . 1 1 11 11 ILE CD1 C 13 12.984 0.3 . 1 . . . . . 11 ILE CD1 . 27755 1 114 . 1 1 11 11 ILE N N 15 121.632 0.15 . 1 . . . . . 11 ILE N . 27755 1 115 . 1 1 12 12 ASP H H 1 8.21 0.02 . 1 . . . . . 12 ASP HN . 27755 1 116 . 1 1 12 12 ASP HA H 1 4.501 0.02 . 1 . . . . . 12 ASP HA . 27755 1 117 . 1 1 12 12 ASP HB2 H 1 2.702 0.02 . 1 . . . . . 12 ASP HB . 27755 1 118 . 1 1 12 12 ASP HB3 H 1 2.702 0.02 . 1 . . . . . 12 ASP HB . 27755 1 119 . 1 1 12 12 ASP CA C 13 57.133 0.3 . 1 . . . . . 12 ASP CA . 27755 1 120 . 1 1 12 12 ASP CB C 13 40.607 0.3 . 1 . . . . . 12 ASP CB . 27755 1 121 . 1 1 12 12 ASP N N 15 120.65 0.15 . 1 . . . . . 12 ASP N . 27755 1 122 . 1 1 13 13 SER H H 1 8.114 0.02 . 1 . . . . . 13 SER HN . 27755 1 123 . 1 1 13 13 SER HA H 1 4.259 0.02 . 1 . . . . . 13 SER HA . 27755 1 124 . 1 1 13 13 SER HB2 H 1 3.866 0.02 . 1 . . . . . 13 SER HB . 27755 1 125 . 1 1 13 13 SER HB3 H 1 3.866 0.02 . 1 . . . . . 13 SER HB . 27755 1 126 . 1 1 13 13 SER CA C 13 61.376 0.3 . 1 . . . . . 13 SER CA . 27755 1 127 . 1 1 13 13 SER CB C 13 62.717 0.3 . 1 . . . . . 13 SER CB . 27755 1 128 . 1 1 13 13 SER N N 15 116.699 0.15 . 1 . . . . . 13 SER N . 27755 1 129 . 1 1 14 14 PHE H H 1 8.479 0.02 . 1 . . . . . 14 PHE HN . 27755 1 130 . 1 1 14 14 PHE HA H 1 3.884 0.02 . 1 . . . . . 14 PHE HA . 27755 1 131 . 1 1 14 14 PHE HB2 H 1 3.237 0.02 . 1 . . . . . 14 PHE HB2 . 27755 1 132 . 1 1 14 14 PHE HB3 H 1 3.086 0.02 . 1 . . . . . 14 PHE HB3 . 27755 1 133 . 1 1 14 14 PHE CA C 13 62.51 0.3 . 1 . . . . . 14 PHE CA . 27755 1 134 . 1 1 14 14 PHE CB C 13 38.736 0.3 . 1 . . . . . 14 PHE CB . 27755 1 135 . 1 1 14 14 PHE N N 15 121.204 0.15 . 1 . . . . . 14 PHE N . 27755 1 136 . 1 1 15 15 ALA H H 1 8.405 0.02 . 1 . . . . . 15 ALA HN . 27755 1 137 . 1 1 15 15 ALA HA H 1 4.108 0.02 . 1 . . . . . 15 ALA HA . 27755 1 138 . 1 1 15 15 ALA HB1 H 1 1.546 0.02 . 1 . . . . . 15 ALA HB . 27755 1 139 . 1 1 15 15 ALA HB2 H 1 1.546 0.02 . 1 . . . . . 15 ALA HB . 27755 1 140 . 1 1 15 15 ALA HB3 H 1 1.546 0.02 . 1 . . . . . 15 ALA HB . 27755 1 141 . 1 1 15 15 ALA CA C 13 55.088 0.3 . 1 . . . . . 15 ALA CA . 27755 1 142 . 1 1 15 15 ALA CB C 13 17.815 0.3 . 1 . . . . . 15 ALA CB . 27755 1 143 . 1 1 15 15 ALA N N 15 123.373 0.15 . 1 . . . . . 15 ALA N . 27755 1 144 . 1 1 16 16 ALA H H 1 7.762 0.02 . 1 . . . . . 16 ALA HN . 27755 1 145 . 1 1 16 16 ALA HA H 1 4.165 0.02 . 1 . . . . . 16 ALA HA . 27755 1 146 . 1 1 16 16 ALA HB1 H 1 1.511 0.02 . 1 . . . . . 16 ALA HB . 27755 1 147 . 1 1 16 16 ALA HB2 H 1 1.511 0.02 . 1 . . . . . 16 ALA HB . 27755 1 148 . 1 1 16 16 ALA HB3 H 1 1.511 0.02 . 1 . . . . . 16 ALA HB . 27755 1 149 . 1 1 16 16 ALA CA C 13 54.704 0.3 . 1 . . . . . 16 ALA CA . 27755 1 150 . 1 1 16 16 ALA CB C 13 18.088 0.3 . 1 . . . . . 16 ALA CB . 27755 1 151 . 1 1 16 16 ALA N N 15 119.829 0.15 . 1 . . . . . 16 ALA N . 27755 1 152 . 1 1 17 17 LYS H H 1 7.89 0.02 . 1 . . . . . 17 LYS HN . 27755 1 153 . 1 1 17 17 LYS HA H 1 4.071 0.02 . 1 . . . . . 17 LYS HA . 27755 1 154 . 1 1 17 17 LYS HB2 H 1 1.902 0.02 . 1 . . . . . 17 LYS HB . 27755 1 155 . 1 1 17 17 LYS HB3 H 1 1.902 0.02 . 1 . . . . . 17 LYS HB . 27755 1 156 . 1 1 17 17 LYS HG2 H 1 0.953 0.02 . 1 . . . . . 17 LYS HG . 27755 1 157 . 1 1 17 17 LYS HG3 H 1 0.953 0.02 . 1 . . . . . 17 LYS HG . 27755 1 158 . 1 1 17 17 LYS HD2 H 1 1.544 0.02 . 1 . . . . . 17 LYS HD . 27755 1 159 . 1 1 17 17 LYS HD3 H 1 1.544 0.02 . 1 . . . . . 17 LYS HD . 27755 1 160 . 1 1 17 17 LYS HE2 H 1 2.842 0.02 . 1 . . . . . 17 LYS HE . 27755 1 161 . 1 1 17 17 LYS HE3 H 1 2.842 0.02 . 1 . . . . . 17 LYS HE . 27755 1 162 . 1 1 17 17 LYS CA C 13 58.699 0.3 . 1 . . . . . 17 LYS CA . 27755 1 163 . 1 1 17 17 LYS CB C 13 33.175 0.3 . 1 . . . . . 17 LYS CB . 27755 1 164 . 1 1 17 17 LYS CG C 13 25.468 0.3 . 1 . . . . . 17 LYS CG . 27755 1 165 . 1 1 17 17 LYS CD C 13 29.835 0.3 . 1 . . . . . 17 LYS CD . 27755 1 166 . 1 1 17 17 LYS CE C 13 41.922 0.3 . 1 . . . . . 17 LYS CE . 27755 1 167 . 1 1 17 17 LYS N N 15 119.049 0.15 . 1 . . . . . 17 LYS N . 27755 1 168 . 1 1 18 18 ALA H H 1 8.226 0.02 . 1 . . . . . 18 ALA HN . 27755 1 169 . 1 1 18 18 ALA HA H 1 3.871 0.02 . 1 . . . . . 18 ALA HA . 27755 1 170 . 1 1 18 18 ALA HB1 H 1 1.49 0.02 . 1 . . . . . 18 ALA HB . 27755 1 171 . 1 1 18 18 ALA HB2 H 1 1.49 0.02 . 1 . . . . . 18 ALA HB . 27755 1 172 . 1 1 18 18 ALA HB3 H 1 1.49 0.02 . 1 . . . . . 18 ALA HB . 27755 1 173 . 1 1 18 18 ALA CA C 13 53.705 0.3 . 1 . . . . . 18 ALA CA . 27755 1 174 . 1 1 18 18 ALA CB C 13 18.739 0.3 . 1 . . . . . 18 ALA CB . 27755 1 175 . 1 1 18 18 ALA N N 15 118.559 0.15 . 1 . . . . . 18 ALA N . 27755 1 176 . 1 1 19 19 LYS H H 1 7.323 0.02 . 1 . . . . . 19 LYS HN . 27755 1 177 . 1 1 19 19 LYS HB2 H 1 1.912 0.02 . 1 . . . . . 19 LYS HB . 27755 1 178 . 1 1 19 19 LYS HB3 H 1 1.912 0.02 . 1 . . . . . 19 LYS HB . 27755 1 179 . 1 1 19 19 LYS HG2 H 1 1.488 0.02 . 1 . . . . . 19 LYS HG . 27755 1 180 . 1 1 19 19 LYS HG3 H 1 1.488 0.02 . 1 . . . . . 19 LYS HG . 27755 1 181 . 1 1 19 19 LYS HD2 H 1 1.721 0.02 . 1 . . . . . 19 LYS HD . 27755 1 182 . 1 1 19 19 LYS HD3 H 1 1.721 0.02 . 1 . . . . . 19 LYS HD . 27755 1 183 . 1 1 19 19 LYS HE2 H 1 2.997 0.02 . 1 . . . . . 19 LYS HE . 27755 1 184 . 1 1 19 19 LYS HE3 H 1 2.997 0.02 . 1 . . . . . 19 LYS HE . 27755 1 185 . 1 1 19 19 LYS CA C 13 58.285 0.3 . 1 . . . . . 19 LYS CA . 27755 1 186 . 1 1 19 19 LYS CB C 13 31.693 0.3 . 1 . . . . . 19 LYS CB . 27755 1 187 . 1 1 19 19 LYS CG C 13 24.656 0.3 . 1 . . . . . 19 LYS CG . 27755 1 188 . 1 1 19 19 LYS CE C 13 42.171 0.3 . 1 . . . . . 19 LYS CE . 27755 1 189 . 1 1 19 19 LYS N N 15 120.676 0.15 . 1 . . . . . 19 LYS N . 27755 1 190 . 1 1 20 20 GLY H H 1 9.294 0.02 . 1 . . . . . 20 GLY HN . 27755 1 191 . 1 1 20 20 GLY HA2 H 1 4.183 0.02 . 1 . . . . . 20 GLY HA2 . 27755 1 192 . 1 1 20 20 GLY HA3 H 1 4.066 0.02 . 1 . . . . . 20 GLY HA3 . 27755 1 193 . 1 1 20 20 GLY CA C 13 45.952 0.3 . 1 . . . . . 20 GLY CA . 27755 1 194 . 1 1 20 20 GLY N N 15 114.489 0.15 . 1 . . . . . 20 GLY N . 27755 1 195 . 1 1 21 21 CYS H H 1 8.503 0.02 . 1 . . . . . 21 CYS HN . 27755 1 196 . 1 1 21 21 CYS CA C 13 58.627 0.3 . 1 . . . . . 21 CYS CA . 27755 1 197 . 1 1 21 21 CYS CB C 13 41.108 0.3 . 1 . . . . . 21 CYS CB . 27755 1 198 . 1 1 21 21 CYS N N 15 119.74 0.15 . 1 . . . . . 21 CYS N . 27755 1 199 . 1 1 22 22 GLU HA H 1 4.209 0.02 . 1 . . . . . 22 GLU HA . 27755 1 200 . 1 1 22 22 GLU HB2 H 1 2.132 0.02 . 1 . . . . . 22 GLU HB . 27755 1 201 . 1 1 22 22 GLU HB3 H 1 2.132 0.02 . 1 . . . . . 22 GLU HB . 27755 1 202 . 1 1 22 22 GLU HG2 H 1 2.471 0.02 . 1 . . . . . 22 GLU HG . 27755 1 203 . 1 1 22 22 GLU HG3 H 1 2.471 0.02 . 1 . . . . . 22 GLU HG . 27755 1 204 . 1 1 22 22 GLU CA C 13 60.331 0.3 . 1 . . . . . 22 GLU CA . 27755 1 205 . 1 1 22 22 GLU CB C 13 28.071 0.3 . 1 . . . . . 22 GLU CB . 27755 1 206 . 1 1 22 22 GLU CG C 13 36.291 0.3 . 1 . . . . . 22 GLU CG . 27755 1 207 . 1 1 23 23 VAL H H 1 7.482 0.02 . 1 . . . . . 23 VAL HN . 27755 1 208 . 1 1 23 23 VAL HA H 1 3.926 0.02 . 1 . . . . . 23 VAL HA . 27755 1 209 . 1 1 23 23 VAL HB H 1 2.161 0.02 . 1 . . . . . 23 VAL HB . 27755 1 210 . 1 1 23 23 VAL HG11 H 1 1.007 0.02 . 1 . . . . . 23 VAL HG . 27755 1 211 . 1 1 23 23 VAL HG12 H 1 1.007 0.02 . 1 . . . . . 23 VAL HG . 27755 1 212 . 1 1 23 23 VAL HG13 H 1 1.007 0.02 . 1 . . . . . 23 VAL HG . 27755 1 213 . 1 1 23 23 VAL HG21 H 1 1.007 0.02 . 1 . . . . . 23 VAL HG . 27755 1 214 . 1 1 23 23 VAL HG22 H 1 1.007 0.02 . 1 . . . . . 23 VAL HG . 27755 1 215 . 1 1 23 23 VAL HG23 H 1 1.007 0.02 . 1 . . . . . 23 VAL HG . 27755 1 216 . 1 1 23 23 VAL CA C 13 64.57 0.3 . 1 . . . . . 23 VAL CA . 27755 1 217 . 1 1 23 23 VAL CB C 13 32.165 0.3 . 1 . . . . . 23 VAL CB . 27755 1 218 . 1 1 23 23 VAL CG1 C 13 21.902 0.3 . 1 . . . . . 23 VAL CG1 . 27755 1 219 . 1 1 23 23 VAL CG2 C 13 21.236 0.3 . 1 . . . . . 23 VAL CG2 . 27755 1 220 . 1 1 23 23 VAL N N 15 119.484 0.15 . 1 . . . . . 23 VAL N . 27755 1 221 . 1 1 24 24 ARG H H 1 7.309 0.02 . 1 . . . . . 24 ARG HN . 27755 1 222 . 1 1 24 24 ARG HA H 1 4.196 0.02 . 1 . . . . . 24 ARG HA . 27755 1 223 . 1 1 24 24 ARG HB2 H 1 1.949 0.02 . 2 . . . . . 24 ARG HB2 . 27755 1 224 . 1 1 24 24 ARG HB3 H 1 1.782 0.02 . 2 . . . . . 24 ARG HB3 . 27755 1 225 . 1 1 24 24 ARG HG2 H 1 1.411 0.02 . 1 . . . . . 24 ARG HG . 27755 1 226 . 1 1 24 24 ARG HG3 H 1 1.411 0.02 . 1 . . . . . 24 ARG HG . 27755 1 227 . 1 1 24 24 ARG HD2 H 1 3.473 0.02 . 1 . . . . . 24 ARG HD2 . 27755 1 228 . 1 1 24 24 ARG HD3 H 1 3.091 0.02 . 1 . . . . . 24 ARG HD3 . 27755 1 229 . 1 1 24 24 ARG CA C 13 58.198 0.3 . 1 . . . . . 24 ARG CA . 27755 1 230 . 1 1 24 24 ARG CB C 13 31.607 0.3 . 1 . . . . . 24 ARG CB . 27755 1 231 . 1 1 24 24 ARG CG C 13 27.755 0.3 . 1 . . . . . 24 ARG CG . 27755 1 232 . 1 1 24 24 ARG CD C 13 43.222 0.3 . 1 . . . . . 24 ARG CD . 27755 1 233 . 1 1 24 24 ARG N N 15 117.212 0.15 . 1 . . . . . 24 ARG N . 27755 1 234 . 1 1 25 25 GLY H H 1 8.318 0.02 . 1 . . . . . 25 GLY HN . 27755 1 235 . 1 1 25 25 GLY HA2 H 1 4.004 0.02 . 1 . . . . . 25 GLY HA . 27755 1 236 . 1 1 25 25 GLY HA3 H 1 4.004 0.02 . 1 . . . . . 25 GLY HA . 27755 1 237 . 1 1 25 25 GLY CA C 13 45.685 0.3 . 1 . . . . . 25 GLY CA . 27755 1 238 . 1 1 25 25 GLY N N 15 105.98 0.15 . 1 . . . . . 25 GLY N . 27755 1 239 . 1 1 26 26 ASP H H 1 8.205 0.02 . 1 . . . . . 26 ASP HN . 27755 1 240 . 1 1 26 26 ASP HA H 1 5.122 0.02 . 1 . . . . . 26 ASP HA . 27755 1 241 . 1 1 26 26 ASP HB2 H 1 3.18 0.02 . 1 . . . . . 26 ASP HB2 . 27755 1 242 . 1 1 26 26 ASP HB3 H 1 2.374 0.02 . 1 . . . . . 26 ASP HB3 . 27755 1 243 . 1 1 26 26 ASP CA C 13 52.752 0.3 . 1 . . . . . 26 ASP CA . 27755 1 244 . 1 1 26 26 ASP CB C 13 41.119 0.3 . 1 . . . . . 26 ASP CB . 27755 1 245 . 1 1 26 26 ASP N N 15 117.566 0.15 . 1 . . . . . 26 ASP N . 27755 1 246 . 1 1 27 27 CYS H H 1 8.097 0.02 . 1 . . . . . 27 CYS HN . 27755 1 247 . 1 1 27 27 CYS HA H 1 4.333 0.02 . 1 . . . . . 27 CYS HA . 27755 1 248 . 1 1 27 27 CYS HB2 H 1 3.273 0.02 . 1 . . . . . 27 CYS HB2 . 27755 1 249 . 1 1 27 27 CYS HB3 H 1 2.85 0.02 . 1 . . . . . 27 CYS HB3 . 27755 1 250 . 1 1 27 27 CYS CA C 13 57.844 0.3 . 1 . . . . . 27 CYS CA . 27755 1 251 . 1 1 27 27 CYS CB C 13 39.456 0.3 . 1 . . . . . 27 CYS CB . 27755 1 252 . 1 1 27 27 CYS N N 15 116.971 0.15 . 1 . . . . . 27 CYS N . 27755 1 253 . 1 1 28 28 LYS H H 1 8.698 0.02 . 1 . . . . . 28 LYS HN . 27755 1 254 . 1 1 28 28 LYS HA H 1 4.014 0.02 . 1 . . . . . 28 LYS HA . 27755 1 255 . 1 1 28 28 LYS HB2 H 1 1.815 0.02 . 1 . . . . . 28 LYS HB . 27755 1 256 . 1 1 28 28 LYS HB3 H 1 1.815 0.02 . 1 . . . . . 28 LYS HB . 27755 1 257 . 1 1 28 28 LYS HG2 H 1 1.537 0.02 . 2 . . . . . 28 LYS HG2 . 27755 1 258 . 1 1 28 28 LYS HG3 H 1 1.395 0.02 . 2 . . . . . 28 LYS HG3 . 27755 1 259 . 1 1 28 28 LYS HD2 H 1 1.678 0.02 . 1 . . . . . 28 LYS HD . 27755 1 260 . 1 1 28 28 LYS HD3 H 1 1.678 0.02 . 1 . . . . . 28 LYS HD . 27755 1 261 . 1 1 28 28 LYS HE2 H 1 2.986 0.02 . 1 . . . . . 28 LYS HE . 27755 1 262 . 1 1 28 28 LYS HE3 H 1 2.986 0.02 . 1 . . . . . 28 LYS HE . 27755 1 263 . 1 1 28 28 LYS CA C 13 59.226 0.3 . 1 . . . . . 28 LYS CA . 27755 1 264 . 1 1 28 28 LYS CB C 13 31.786 0.3 . 1 . . . . . 28 LYS CB . 27755 1 265 . 1 1 28 28 LYS CG C 13 25.212 0.3 . 1 . . . . . 28 LYS CG . 27755 1 266 . 1 1 28 28 LYS CD C 13 29.111 0.3 . 1 . . . . . 28 LYS CD . 27755 1 267 . 1 1 28 28 LYS CE C 13 41.965 0.3 . 1 . . . . . 28 LYS CE . 27755 1 268 . 1 1 28 28 LYS N N 15 117.43 0.15 . 1 . . . . . 28 LYS N . 27755 1 269 . 1 1 29 29 GLN H H 1 7.8 0.02 . 1 . . . . . 29 GLN HN . 27755 1 270 . 1 1 29 29 GLN HA H 1 4.07 0.02 . 1 . . . . . 29 GLN HA . 27755 1 271 . 1 1 29 29 GLN HB2 H 1 2.209 0.02 . 1 . . . . . 29 GLN HB . 27755 1 272 . 1 1 29 29 GLN HB3 H 1 2.209 0.02 . 1 . . . . . 29 GLN HB . 27755 1 273 . 1 1 29 29 GLN HG2 H 1 2.461 0.02 . 1 . . . . . 29 GLN HG . 27755 1 274 . 1 1 29 29 GLN HG3 H 1 2.461 0.02 . 1 . . . . . 29 GLN HG . 27755 1 275 . 1 1 29 29 GLN CA C 13 58.526 0.3 . 1 . . . . . 29 GLN CA . 27755 1 276 . 1 1 29 29 GLN CB C 13 28.23 0.3 . 1 . . . . . 29 GLN CB . 27755 1 277 . 1 1 29 29 GLN CG C 13 33.799 0.3 . 1 . . . . . 29 GLN CG . 27755 1 278 . 1 1 29 29 GLN N N 15 120.467 0.15 . 1 . . . . . 29 GLN N . 27755 1 279 . 1 1 30 30 ILE H H 1 7.747 0.02 . 1 . . . . . 30 ILE HN . 27755 1 280 . 1 1 30 30 ILE HA H 1 3.917 0.02 . 1 . . . . . 30 ILE HA . 27755 1 281 . 1 1 30 30 ILE HB H 1 2.01 0.02 . 1 . . . . . 30 ILE HB . 27755 1 282 . 1 1 30 30 ILE HG12 H 1 1.015 0.02 . 1 . . . . . 30 ILE HG1 . 27755 1 283 . 1 1 30 30 ILE HG13 H 1 1.015 0.02 . 1 . . . . . 30 ILE HG1 . 27755 1 284 . 1 1 30 30 ILE HG21 H 1 0.765 0.02 . 1 . . . . . 30 ILE HG2 . 27755 1 285 . 1 1 30 30 ILE HG22 H 1 0.765 0.02 . 1 . . . . . 30 ILE HG2 . 27755 1 286 . 1 1 30 30 ILE HG23 H 1 0.765 0.02 . 1 . . . . . 30 ILE HG2 . 27755 1 287 . 1 1 30 30 ILE HD11 H 1 0.765 0.02 . 1 . . . . . 30 ILE HD1 . 27755 1 288 . 1 1 30 30 ILE HD12 H 1 0.765 0.02 . 1 . . . . . 30 ILE HD1 . 27755 1 289 . 1 1 30 30 ILE HD13 H 1 0.765 0.02 . 1 . . . . . 30 ILE HD1 . 27755 1 290 . 1 1 30 30 ILE CA C 13 64.502 0.3 . 1 . . . . . 30 ILE CA . 27755 1 291 . 1 1 30 30 ILE CB C 13 38.048 0.3 . 1 . . . . . 30 ILE CB . 27755 1 292 . 1 1 30 30 ILE CG1 C 13 28.854 0.3 . 1 . . . . . 30 ILE CG1 . 27755 1 293 . 1 1 30 30 ILE CG2 C 13 17.914 0.3 . 1 . . . . . 30 ILE CG2 . 27755 1 294 . 1 1 30 30 ILE CD1 C 13 13.856 0.3 . 1 . . . . . 30 ILE CD1 . 27755 1 295 . 1 1 30 30 ILE N N 15 120.929 0.15 . 1 . . . . . 30 ILE N . 27755 1 296 . 1 1 31 31 VAL H H 1 7.736 0.02 . 1 . . . . . 31 VAL HN . 27755 1 297 . 1 1 31 31 VAL HA H 1 3.594 0.02 . 1 . . . . . 31 VAL HA . 27755 1 298 . 1 1 31 31 VAL HB H 1 2.07 0.02 . 1 . . . . . 31 VAL HB . 27755 1 299 . 1 1 31 31 VAL HG11 H 1 1.043 0.02 . 1 . . . . . 31 VAL HG1 . 27755 1 300 . 1 1 31 31 VAL HG12 H 1 1.043 0.02 . 1 . . . . . 31 VAL HG1 . 27755 1 301 . 1 1 31 31 VAL HG13 H 1 1.043 0.02 . 1 . . . . . 31 VAL HG1 . 27755 1 302 . 1 1 31 31 VAL HG21 H 1 0.92 0.02 . 1 . . . . . 31 VAL HG2 . 27755 1 303 . 1 1 31 31 VAL HG22 H 1 0.92 0.02 . 1 . . . . . 31 VAL HG2 . 27755 1 304 . 1 1 31 31 VAL HG23 H 1 0.92 0.02 . 1 . . . . . 31 VAL HG2 . 27755 1 305 . 1 1 31 31 VAL CA C 13 66.544 0.3 . 1 . . . . . 31 VAL CA . 27755 1 306 . 1 1 31 31 VAL CB C 13 31.799 0.3 . 1 . . . . . 31 VAL CB . 27755 1 307 . 1 1 31 31 VAL CG1 C 13 22.679 0.3 . 1 . . . . . 31 VAL CG1 . 27755 1 308 . 1 1 31 31 VAL CG2 C 13 21.36 0.3 . 1 . . . . . 31 VAL CG2 . 27755 1 309 . 1 1 31 31 VAL N N 15 119.857 0.15 . 1 . . . . . 31 VAL N . 27755 1 310 . 1 1 32 32 LYS H H 1 7.811 0.02 . 1 . . . . . 32 LYS HN . 27755 1 311 . 1 1 32 32 LYS HA H 1 4.128 0.02 . 1 . . . . . 32 LYS HA . 27755 1 312 . 1 1 32 32 LYS HB2 H 1 1.921 0.02 . 1 . . . . . 32 LYS HB . 27755 1 313 . 1 1 32 32 LYS HB3 H 1 1.921 0.02 . 1 . . . . . 32 LYS HB . 27755 1 314 . 1 1 32 32 LYS HG2 H 1 1.461 0.02 . 1 . . . . . 32 LYS HG . 27755 1 315 . 1 1 32 32 LYS HG3 H 1 1.461 0.02 . 1 . . . . . 32 LYS HG . 27755 1 316 . 1 1 32 32 LYS HD2 H 1 1.69 0.02 . 1 . . . . . 32 LYS HD . 27755 1 317 . 1 1 32 32 LYS HD3 H 1 1.69 0.02 . 1 . . . . . 32 LYS HD . 27755 1 318 . 1 1 32 32 LYS HE2 H 1 2.98 0.02 . 1 . . . . . 32 LYS HE . 27755 1 319 . 1 1 32 32 LYS HE3 H 1 2.98 0.02 . 1 . . . . . 32 LYS HE . 27755 1 320 . 1 1 32 32 LYS CA C 13 58.864 0.3 . 1 . . . . . 32 LYS CA . 27755 1 321 . 1 1 32 32 LYS CB C 13 32.079 0.3 . 1 . . . . . 32 LYS CB . 27755 1 322 . 1 1 32 32 LYS CG C 13 24.514 0.3 . 1 . . . . . 32 LYS CG . 27755 1 323 . 1 1 32 32 LYS CD C 13 29.049 0.3 . 1 . . . . . 32 LYS CD . 27755 1 324 . 1 1 32 32 LYS CE C 13 42.045 0.3 . 1 . . . . . 32 LYS CE . 27755 1 325 . 1 1 32 32 LYS N N 15 120.449 0.15 . 1 . . . . . 32 LYS N . 27755 1 326 . 1 1 33 33 GLU H H 1 8.053 0.02 . 1 . . . . . 33 GLU HN . 27755 1 327 . 1 1 33 33 GLU HA H 1 4.056 0.02 . 1 . . . . . 33 GLU HA . 27755 1 328 . 1 1 33 33 GLU HB2 H 1 2.289 0.02 . 1 . . . . . 33 GLU HB . 27755 1 329 . 1 1 33 33 GLU HB3 H 1 2.289 0.02 . 1 . . . . . 33 GLU HB . 27755 1 330 . 1 1 33 33 GLU HG2 H 1 2.584 0.02 . 1 . . . . . 33 GLU HG . 27755 1 331 . 1 1 33 33 GLU HG3 H 1 2.584 0.02 . 1 . . . . . 33 GLU HG . 27755 1 332 . 1 1 33 33 GLU CA C 13 59.37 0.3 . 1 . . . . . 33 GLU CA . 27755 1 333 . 1 1 33 33 GLU CB C 13 29.797 0.3 . 1 . . . . . 33 GLU CB . 27755 1 334 . 1 1 33 33 GLU CG C 13 36.583 0.3 . 1 . . . . . 33 GLU CG . 27755 1 335 . 1 1 33 33 GLU N N 15 119.994 0.15 . 1 . . . . . 33 GLU N . 27755 1 336 . 1 1 34 34 MET H H 1 7.996 0.02 . 1 . . . . . 34 MET HN . 27755 1 337 . 1 1 34 34 MET HA H 1 3.508 0.02 . 1 . . . . . 34 MET HA . 27755 1 338 . 1 1 34 34 MET HB2 H 1 2.009 0.02 . 1 . . . . . 34 MET HB . 27755 1 339 . 1 1 34 34 MET HB3 H 1 2.009 0.02 . 1 . . . . . 34 MET HB . 27755 1 340 . 1 1 34 34 MET HG2 H 1 2.264 0.02 . 1 . . . . . 34 MET HG . 27755 1 341 . 1 1 34 34 MET HG3 H 1 2.264 0.02 . 1 . . . . . 34 MET HG . 27755 1 342 . 1 1 34 34 MET HE1 H 1 1.466 0.02 . 1 . . . . . 34 MET HE . 27755 1 343 . 1 1 34 34 MET HE2 H 1 1.466 0.02 . 1 . . . . . 34 MET HE . 27755 1 344 . 1 1 34 34 MET HE3 H 1 1.466 0.02 . 1 . . . . . 34 MET HE . 27755 1 345 . 1 1 34 34 MET CA C 13 59.159 0.3 . 1 . . . . . 34 MET CA . 27755 1 346 . 1 1 34 34 MET CB C 13 32.901 0.3 . 1 . . . . . 34 MET CB . 27755 1 347 . 1 1 34 34 MET CG C 13 31.393 0.3 . 1 . . . . . 34 MET CG . 27755 1 348 . 1 1 34 34 MET N N 15 119.922 0.15 . 1 . . . . . 34 MET N . 27755 1 349 . 1 1 35 35 GLU H H 1 8.371 0.02 . 1 . . . . . 35 GLU HN . 27755 1 350 . 1 1 35 35 GLU HA H 1 3.975 0.02 . 1 . . . . . 35 GLU HA . 27755 1 351 . 1 1 35 35 GLU HB2 H 1 2.186 0.02 . 1 . . . . . 35 GLU HB . 27755 1 352 . 1 1 35 35 GLU HB3 H 1 2.186 0.02 . 1 . . . . . 35 GLU HB . 27755 1 353 . 1 1 35 35 GLU HG2 H 1 2.462 0.02 . 1 . . . . . 35 GLU HG . 27755 1 354 . 1 1 35 35 GLU HG3 H 1 2.462 0.02 . 1 . . . . . 35 GLU HG . 27755 1 355 . 1 1 35 35 GLU CA C 13 59.34 0.3 . 1 . . . . . 35 GLU CA . 27755 1 356 . 1 1 35 35 GLU CB C 13 29.743 0.3 . 1 . . . . . 35 GLU CB . 27755 1 357 . 1 1 35 35 GLU CG C 13 36.553 0.3 . 1 . . . . . 35 GLU CG . 27755 1 358 . 1 1 35 35 GLU N N 15 120.675 0.15 . 1 . . . . . 35 GLU N . 27755 1 359 . 1 1 36 36 GLU H H 1 8.412 0.02 . 1 . . . . . 36 GLU HN . 27755 1 360 . 1 1 36 36 GLU HA H 1 4.03 0.02 . 1 . . . . . 36 GLU HA . 27755 1 361 . 1 1 36 36 GLU HB2 H 1 2.266 0.02 . 1 . . . . . 36 GLU HB . 27755 1 362 . 1 1 36 36 GLU HB3 H 1 2.266 0.02 . 1 . . . . . 36 GLU HB . 27755 1 363 . 1 1 36 36 GLU HG2 H 1 2.506 0.02 . 1 . . . . . 36 GLU HG . 27755 1 364 . 1 1 36 36 GLU HG3 H 1 2.506 0.02 . 1 . . . . . 36 GLU HG . 27755 1 365 . 1 1 36 36 GLU CA C 13 59.349 0.3 . 1 . . . . . 36 GLU CA . 27755 1 366 . 1 1 36 36 GLU CB C 13 29.574 0.3 . 1 . . . . . 36 GLU CB . 27755 1 367 . 1 1 36 36 GLU CG C 13 36.757 0.3 . 1 . . . . . 36 GLU CG . 27755 1 368 . 1 1 36 36 GLU N N 15 119.496 0.15 . 1 . . . . . 36 GLU N . 27755 1 369 . 1 1 37 37 LEU H H 1 7.992 0.02 . 1 . . . . . 37 LEU HN . 27755 1 370 . 1 1 37 37 LEU HA H 1 4.274 0.02 . 1 . . . . . 37 LEU HA . 27755 1 371 . 1 1 37 37 LEU HB2 H 1 1.786 0.02 . 1 . . . . . 37 LEU HB2 . 27755 1 372 . 1 1 37 37 LEU HB3 H 1 1.785 0.02 . 1 . . . . . 37 LEU HB3 . 27755 1 373 . 1 1 37 37 LEU HG H 1 1.621 0.02 . 1 . . . . . 37 LEU HG . 27755 1 374 . 1 1 37 37 LEU HD11 H 1 1.021 0.02 . 1 . . . . . 37 LEU HD . 27755 1 375 . 1 1 37 37 LEU HD12 H 1 1.021 0.02 . 1 . . . . . 37 LEU HD . 27755 1 376 . 1 1 37 37 LEU HD13 H 1 1.021 0.02 . 1 . . . . . 37 LEU HD . 27755 1 377 . 1 1 37 37 LEU HD21 H 1 1.021 0.02 . 1 . . . . . 37 LEU HD . 27755 1 378 . 1 1 37 37 LEU HD22 H 1 1.021 0.02 . 1 . . . . . 37 LEU HD . 27755 1 379 . 1 1 37 37 LEU HD23 H 1 1.021 0.02 . 1 . . . . . 37 LEU HD . 27755 1 380 . 1 1 37 37 LEU CA C 13 57.521 0.3 . 1 . . . . . 37 LEU CA . 27755 1 381 . 1 1 37 37 LEU CB C 13 41.931 0.3 . 1 . . . . . 37 LEU CB . 27755 1 382 . 1 1 37 37 LEU CG C 13 26.877 0.3 . 1 . . . . . 37 LEU CG . 27755 1 383 . 1 1 37 37 LEU CD1 C 13 25.21 0.3 . 1 . . . . . 37 LEU CD1 . 27755 1 384 . 1 1 37 37 LEU CD2 C 13 23.62 0.3 . 1 . . . . . 37 LEU CD2 . 27755 1 385 . 1 1 37 37 LEU N N 15 121.883 0.15 . 1 . . . . . 37 LEU N . 27755 1 386 . 1 1 38 38 SER H H 1 8.211 0.02 . 1 . . . . . 38 SER HN . 27755 1 387 . 1 1 38 38 SER HA H 1 4.109 0.02 . 1 . . . . . 38 SER HA . 27755 1 388 . 1 1 38 38 SER HB2 H 1 3.944 0.02 . 1 . . . . . 38 SER HB . 27755 1 389 . 1 1 38 38 SER HB3 H 1 3.944 0.02 . 1 . . . . . 38 SER HB . 27755 1 390 . 1 1 38 38 SER CA C 13 61.573 0.3 . 1 . . . . . 38 SER CA . 27755 1 391 . 1 1 38 38 SER CB C 13 63.5 0.3 . 1 . . . . . 38 SER CB . 27755 1 392 . 1 1 38 38 SER N N 15 114.367 0.15 . 1 . . . . . 38 SER N . 27755 1 393 . 1 1 39 39 LEU H H 1 7.978 0.02 . 1 . . . . . 39 LEU HN . 27755 1 394 . 1 1 39 39 LEU HA H 1 4.125 0.02 . 1 . . . . . 39 LEU HA . 27755 1 395 . 1 1 39 39 LEU HB2 H 1 1.757 0.02 . 1 . . . . . 39 LEU HB . 27755 1 396 . 1 1 39 39 LEU HB3 H 1 1.757 0.02 . 1 . . . . . 39 LEU HB . 27755 1 397 . 1 1 39 39 LEU HG H 1 1.688 0.02 . 1 . . . . . 39 LEU HG . 27755 1 398 . 1 1 39 39 LEU HD11 H 1 0.898 0.02 . 1 . . . . . 39 LEU HD . 27755 1 399 . 1 1 39 39 LEU HD12 H 1 0.898 0.02 . 1 . . . . . 39 LEU HD . 27755 1 400 . 1 1 39 39 LEU HD13 H 1 0.898 0.02 . 1 . . . . . 39 LEU HD . 27755 1 401 . 1 1 39 39 LEU HD21 H 1 0.898 0.02 . 1 . . . . . 39 LEU HD . 27755 1 402 . 1 1 39 39 LEU HD22 H 1 0.898 0.02 . 1 . . . . . 39 LEU HD . 27755 1 403 . 1 1 39 39 LEU HD23 H 1 0.898 0.02 . 1 . . . . . 39 LEU HD . 27755 1 404 . 1 1 39 39 LEU CA C 13 57.699 0.3 . 1 . . . . . 39 LEU CA . 27755 1 405 . 1 1 39 39 LEU CB C 13 41.929 0.3 . 1 . . . . . 39 LEU CB . 27755 1 406 . 1 1 39 39 LEU CG C 13 26.965 0.3 . 1 . . . . . 39 LEU CG . 27755 1 407 . 1 1 39 39 LEU CD1 C 13 24.277 0.3 . 1 . . . . . 39 LEU CD . 27755 1 408 . 1 1 39 39 LEU CD2 C 13 24.277 0.3 . 1 . . . . . 39 LEU CD . 27755 1 409 . 1 1 39 39 LEU N N 15 120.404 0.15 . 1 . . . . . 39 LEU N . 27755 1 410 . 1 1 40 40 LYS H H 1 7.94 0.02 . 1 . . . . . 40 LYS HN . 27755 1 411 . 1 1 40 40 LYS HA H 1 4.079 0.02 . 1 . . . . . 40 LYS HA . 27755 1 412 . 1 1 40 40 LYS HB2 H 1 2.004 0.02 . 1 . . . . . 40 LYS HB . 27755 1 413 . 1 1 40 40 LYS HB3 H 1 2.004 0.02 . 1 . . . . . 40 LYS HB . 27755 1 414 . 1 1 40 40 LYS HG2 H 1 1.442 0.02 . 1 . . . . . 40 LYS HG . 27755 1 415 . 1 1 40 40 LYS HG3 H 1 1.442 0.02 . 1 . . . . . 40 LYS HG . 27755 1 416 . 1 1 40 40 LYS HD2 H 1 1.569 0.02 . 1 . . . . . 40 LYS HD . 27755 1 417 . 1 1 40 40 LYS HD3 H 1 1.569 0.02 . 1 . . . . . 40 LYS HD . 27755 1 418 . 1 1 40 40 LYS HE2 H 1 2.999 0.02 . 1 . . . . . 40 LYS HE . 27755 1 419 . 1 1 40 40 LYS HE3 H 1 2.999 0.02 . 1 . . . . . 40 LYS HE . 27755 1 420 . 1 1 40 40 LYS CA C 13 59.12 0.3 . 1 . . . . . 40 LYS CA . 27755 1 421 . 1 1 40 40 LYS CB C 13 32.77 0.3 . 1 . . . . . 40 LYS CB . 27755 1 422 . 1 1 40 40 LYS CG C 13 24.838 0.3 . 1 . . . . . 40 LYS CG . 27755 1 423 . 1 1 40 40 LYS CD C 13 29.625 0.3 . 1 . . . . . 40 LYS CD . 27755 1 424 . 1 1 40 40 LYS CE C 13 42.091 0.3 . 1 . . . . . 40 LYS CE . 27755 1 425 . 1 1 40 40 LYS N N 15 120.022 0.15 . 1 . . . . . 40 LYS N . 27755 1 426 . 1 1 41 41 GLN H H 1 8.32 0.02 . 1 . . . . . 41 GLN HN . 27755 1 427 . 1 1 41 41 GLN HA H 1 4.175 0.02 . 1 . . . . . 41 GLN HA . 27755 1 428 . 1 1 41 41 GLN HB2 H 1 1.983 0.02 . 1 . . . . . 41 GLN HB . 27755 1 429 . 1 1 41 41 GLN HB3 H 1 1.983 0.02 . 1 . . . . . 41 GLN HB . 27755 1 430 . 1 1 41 41 GLN HG2 H 1 2.423 0.02 . 1 . . . . . 41 GLN HG . 27755 1 431 . 1 1 41 41 GLN HG3 H 1 2.423 0.02 . 1 . . . . . 41 GLN HG . 27755 1 432 . 1 1 41 41 GLN CA C 13 58.582 0.3 . 1 . . . . . 41 GLN CA . 27755 1 433 . 1 1 41 41 GLN CB C 13 28.084 0.3 . 1 . . . . . 41 GLN CB . 27755 1 434 . 1 1 41 41 GLN CG C 13 36.264 0.3 . 1 . . . . . 41 GLN CG . 27755 1 435 . 1 1 41 41 GLN N N 15 117.972 0.15 . 1 . . . . . 41 GLN N . 27755 1 436 . 1 1 42 42 GLN H H 1 8.401 0.02 . 1 . . . . . 42 GLN HN . 27755 1 437 . 1 1 42 42 GLN HA H 1 3.583 0.02 . 1 . . . . . 42 GLN HA . 27755 1 438 . 1 1 42 42 GLN HB2 H 1 1.847 0.02 . 1 . . . . . 42 GLN HB2 . 27755 1 439 . 1 1 42 42 GLN HB3 H 1 1.764 0.02 . 1 . . . . . 42 GLN HB3 . 27755 1 440 . 1 1 42 42 GLN HG2 H 1 2.015 0.02 . 1 . . . . . 42 GLN HG . 27755 1 441 . 1 1 42 42 GLN HG3 H 1 2.015 0.02 . 1 . . . . . 42 GLN HG . 27755 1 442 . 1 1 42 42 GLN CA C 13 58.679 0.3 . 1 . . . . . 42 GLN CA . 27755 1 443 . 1 1 42 42 GLN CB C 13 28.419 0.3 . 1 . . . . . 42 GLN CB . 27755 1 444 . 1 1 42 42 GLN CG C 13 33.345 0.3 . 1 . . . . . 42 GLN CG . 27755 1 445 . 1 1 42 42 GLN N N 15 121.33 0.15 . 1 . . . . . 42 GLN N . 27755 1 446 . 1 1 43 43 GLN H H 1 7.962 0.02 . 1 . . . . . 43 GLN HN . 27755 1 447 . 1 1 43 43 GLN CA C 13 57.898 0.3 . 1 . . . . . 43 GLN CA . 27755 1 448 . 1 1 43 43 GLN CB C 13 28.53 0.3 . 1 . . . . . 43 GLN CB . 27755 1 449 . 1 1 43 43 GLN N N 15 117.529 0.15 . 1 . . . . . 43 GLN N . 27755 1 450 . 1 1 44 44 GLU HA H 1 4.166 0.02 . 1 . . . . . 44 GLU HA . 27755 1 451 . 1 1 44 44 GLU HB2 H 1 2.093 0.02 . 1 . . . . . 44 GLU HB . 27755 1 452 . 1 1 44 44 GLU HB3 H 1 2.093 0.02 . 1 . . . . . 44 GLU HB . 27755 1 453 . 1 1 44 44 GLU HG2 H 1 2.436 0.02 . 2 . . . . . 44 GLU HG2 . 27755 1 454 . 1 1 44 44 GLU HG3 H 1 2.279 0.02 . 2 . . . . . 44 GLU HG3 . 27755 1 455 . 1 1 44 44 GLU CA C 13 58.053 0.3 . 1 . . . . . 44 GLU CA . 27755 1 456 . 1 1 44 44 GLU CB C 13 29.947 0.3 . 1 . . . . . 44 GLU CB . 27755 1 457 . 1 1 44 44 GLU CG C 13 36.374 0.3 . 1 . . . . . 44 GLU CG . 27755 1 458 . 1 1 45 45 MET H H 1 7.906 0.02 . 1 . . . . . 45 MET HN . 27755 1 459 . 1 1 45 45 MET HA H 1 4.36 0.02 . 1 . . . . . 45 MET HA . 27755 1 460 . 1 1 45 45 MET HB2 H 1 2.155 0.02 . 1 . . . . . 45 MET HB . 27755 1 461 . 1 1 45 45 MET HB3 H 1 2.155 0.02 . 1 . . . . . 45 MET HB . 27755 1 462 . 1 1 45 45 MET HG2 H 1 2.741 0.02 . 2 . . . . . 45 MET HG2 . 27755 1 463 . 1 1 45 45 MET HG3 H 1 2.621 0.02 . 2 . . . . . 45 MET HG3 . 27755 1 464 . 1 1 45 45 MET CA C 13 57.063 0.3 . 1 . . . . . 45 MET CA . 27755 1 465 . 1 1 45 45 MET CB C 13 32.542 0.3 . 1 . . . . . 45 MET CB . 27755 1 466 . 1 1 45 45 MET CG C 13 32.041 0.3 . 1 . . . . . 45 MET CG . 27755 1 467 . 1 1 45 45 MET N N 15 118.789 0.15 . 1 . . . . . 45 MET N . 27755 1 468 . 1 1 46 46 ILE H H 1 7.912 0.02 . 1 . . . . . 46 ILE HN . 27755 1 469 . 1 1 46 46 ILE HA H 1 4.022 0.02 . 1 . . . . . 46 ILE HA . 27755 1 470 . 1 1 46 46 ILE HB H 1 1.901 0.02 . 1 . . . . . 46 ILE HB . 27755 1 471 . 1 1 46 46 ILE HG12 H 1 1.543 0.02 . 1 . . . . . 46 ILE HG1 . 27755 1 472 . 1 1 46 46 ILE HG13 H 1 1.543 0.02 . 1 . . . . . 46 ILE HG1 . 27755 1 473 . 1 1 46 46 ILE HG21 H 1 1.194 0.02 . 1 . . . . . 46 ILE HG2 . 27755 1 474 . 1 1 46 46 ILE HG22 H 1 1.194 0.02 . 1 . . . . . 46 ILE HG2 . 27755 1 475 . 1 1 46 46 ILE HG23 H 1 1.194 0.02 . 1 . . . . . 46 ILE HG2 . 27755 1 476 . 1 1 46 46 ILE HD11 H 1 0.904 0.02 . 1 . . . . . 46 ILE HD1 . 27755 1 477 . 1 1 46 46 ILE HD12 H 1 0.904 0.02 . 1 . . . . . 46 ILE HD1 . 27755 1 478 . 1 1 46 46 ILE HD13 H 1 0.904 0.02 . 1 . . . . . 46 ILE HD1 . 27755 1 479 . 1 1 46 46 ILE CA C 13 62.507 0.3 . 1 . . . . . 46 ILE CA . 27755 1 480 . 1 1 46 46 ILE CB C 13 38.464 0.3 . 1 . . . . . 46 ILE CB . 27755 1 481 . 1 1 46 46 ILE CG1 C 13 27.793 0.3 . 1 . . . . . 46 ILE CG1 . 27755 1 482 . 1 1 46 46 ILE CG2 C 13 17.371 0.3 . 1 . . . . . 46 ILE CG2 . 27755 1 483 . 1 1 46 46 ILE CD1 C 13 13.16 0.3 . 1 . . . . . 46 ILE CD1 . 27755 1 484 . 1 1 46 46 ILE N N 15 120.359 0.15 . 1 . . . . . 46 ILE N . 27755 1 485 . 1 1 47 47 ALA H H 1 8.006 0.02 . 1 . . . . . 47 ALA HN . 27755 1 486 . 1 1 47 47 ALA HA H 1 4.31 0.02 . 1 . . . . . 47 ALA HA . 27755 1 487 . 1 1 47 47 ALA HB1 H 1 1.442 0.02 . 1 . . . . . 47 ALA HB . 27755 1 488 . 1 1 47 47 ALA HB2 H 1 1.442 0.02 . 1 . . . . . 47 ALA HB . 27755 1 489 . 1 1 47 47 ALA HB3 H 1 1.442 0.02 . 1 . . . . . 47 ALA HB . 27755 1 490 . 1 1 47 47 ALA CA C 13 53.322 0.3 . 1 . . . . . 47 ALA CA . 27755 1 491 . 1 1 47 47 ALA CB C 13 19.022 0.3 . 1 . . . . . 47 ALA CB . 27755 1 492 . 1 1 47 47 ALA N N 15 125.325 0.15 . 1 . . . . . 47 ALA N . 27755 1 493 . 1 1 48 48 VAL H H 1 7.944 0.02 . 1 . . . . . 48 VAL HN . 27755 1 494 . 1 1 48 48 VAL HA H 1 4.115 0.02 . 1 . . . . . 48 VAL HA . 27755 1 495 . 1 1 48 48 VAL HB H 1 2.166 0.02 . 1 . . . . . 48 VAL HB . 27755 1 496 . 1 1 48 48 VAL HG11 H 1 0.999 0.02 . 1 . . . . . 48 VAL HG . 27755 1 497 . 1 1 48 48 VAL HG12 H 1 0.999 0.02 . 1 . . . . . 48 VAL HG . 27755 1 498 . 1 1 48 48 VAL HG13 H 1 0.999 0.02 . 1 . . . . . 48 VAL HG . 27755 1 499 . 1 1 48 48 VAL HG21 H 1 0.999 0.02 . 1 . . . . . 48 VAL HG . 27755 1 500 . 1 1 48 48 VAL HG22 H 1 0.999 0.02 . 1 . . . . . 48 VAL HG . 27755 1 501 . 1 1 48 48 VAL HG23 H 1 0.999 0.02 . 1 . . . . . 48 VAL HG . 27755 1 502 . 1 1 48 48 VAL CA C 13 62.972 0.3 . 1 . . . . . 48 VAL CA . 27755 1 503 . 1 1 48 48 VAL CB C 13 32.506 0.3 . 1 . . . . . 48 VAL CB . 27755 1 504 . 1 1 48 48 VAL CG1 C 13 21.055 0.3 . 1 . . . . . 48 VAL CG# . 27755 1 505 . 1 1 48 48 VAL CG2 C 13 21.055 0.3 . 1 . . . . . 48 VAL CG# . 27755 1 506 . 1 1 48 48 VAL N N 15 117.704 0.15 . 1 . . . . . 48 VAL N . 27755 1 507 . 1 1 49 49 SER H H 1 8.137 0.02 . 1 . . . . . 49 SER HN . 27755 1 508 . 1 1 49 49 SER HA H 1 4.439 0.02 . 1 . . . . . 49 SER HA . 27755 1 509 . 1 1 49 49 SER HB2 H 1 3.918 0.02 . 1 . . . . . 49 SER HB . 27755 1 510 . 1 1 49 49 SER HB3 H 1 3.918 0.02 . 1 . . . . . 49 SER HB . 27755 1 511 . 1 1 49 49 SER CA C 13 58.794 0.3 . 1 . . . . . 49 SER CA . 27755 1 512 . 1 1 49 49 SER CB C 13 63.825 0.3 . 1 . . . . . 49 SER CB . 27755 1 513 . 1 1 49 49 SER N N 15 117.956 0.15 . 1 . . . . . 49 SER N . 27755 1 514 . 1 1 50 50 ALA H H 1 8.201 0.02 . 1 . . . . . 50 ALA HN . 27755 1 515 . 1 1 50 50 ALA HA H 1 4.391 0.02 . 1 . . . . . 50 ALA HA . 27755 1 516 . 1 1 50 50 ALA HB1 H 1 1.442 0.02 . 1 . . . . . 50 ALA HB . 27755 1 517 . 1 1 50 50 ALA HB2 H 1 1.442 0.02 . 1 . . . . . 50 ALA HB . 27755 1 518 . 1 1 50 50 ALA HB3 H 1 1.442 0.02 . 1 . . . . . 50 ALA HB . 27755 1 519 . 1 1 50 50 ALA CA C 13 52.955 0.3 . 1 . . . . . 50 ALA CA . 27755 1 520 . 1 1 50 50 ALA CB C 13 19.259 0.3 . 1 . . . . . 50 ALA CB . 27755 1 521 . 1 1 50 50 ALA N N 15 125.288 0.15 . 1 . . . . . 50 ALA N . 27755 1 522 . 1 1 51 51 THR H H 1 7.966 0.02 . 1 . . . . . 51 THR HN . 27755 1 523 . 1 1 51 51 THR HA H 1 4.296 0.02 . 1 . . . . . 51 THR HA . 27755 1 524 . 1 1 51 51 THR HB H 1 4.213 0.02 . 1 . . . . . 51 THR HB . 27755 1 525 . 1 1 51 51 THR HG21 H 1 1.199 0.02 . 1 . . . . . 51 THR HG2 . 27755 1 526 . 1 1 51 51 THR HG22 H 1 1.199 0.02 . 1 . . . . . 51 THR HG2 . 27755 1 527 . 1 1 51 51 THR HG23 H 1 1.199 0.02 . 1 . . . . . 51 THR HG2 . 27755 1 528 . 1 1 51 51 THR CA C 13 61.938 0.3 . 1 . . . . . 51 THR CA . 27755 1 529 . 1 1 51 51 THR CB C 13 69.815 0.3 . 1 . . . . . 51 THR CB . 27755 1 530 . 1 1 51 51 THR CG2 C 13 21.652 0.3 . 1 . . . . . 51 THR CG2 . 27755 1 531 . 1 1 51 51 THR N N 15 111.699 0.15 . 1 . . . . . 51 THR N . 27755 1 532 . 1 1 52 52 ASN H H 1 8.271 0.02 . 1 . . . . . 52 ASN HN . 27755 1 533 . 1 1 52 52 ASN CA C 13 51.236 0.3 . 1 . . . . . 52 ASN CA . 27755 1 534 . 1 1 52 52 ASN CB C 13 38.988 0.3 . 1 . . . . . 52 ASN CB . 27755 1 535 . 1 1 52 52 ASN N N 15 121.507 0.15 . 1 . . . . . 52 ASN N . 27755 1 536 . 1 1 53 53 PRO HA H 1 4.406 0.02 . 1 . . . . . 53 PRO HA . 27755 1 537 . 1 1 53 53 PRO HB2 H 1 2.316 0.02 . 1 . . . . . 53 PRO HB . 27755 1 538 . 1 1 53 53 PRO HB3 H 1 2.316 0.02 . 1 . . . . . 53 PRO HB . 27755 1 539 . 1 1 53 53 PRO HG2 H 1 2.007 0.02 . 1 . . . . . 53 PRO HG . 27755 1 540 . 1 1 53 53 PRO HG3 H 1 2.007 0.02 . 1 . . . . . 53 PRO HG . 27755 1 541 . 1 1 53 53 PRO HD2 H 1 3.789 0.02 . 1 . . . . . 53 PRO HD . 27755 1 542 . 1 1 53 53 PRO HD3 H 1 3.789 0.02 . 1 . . . . . 53 PRO HD . 27755 1 543 . 1 1 53 53 PRO CA C 13 63.828 0.3 . 1 . . . . . 53 PRO CA . 27755 1 544 . 1 1 53 53 PRO CB C 13 32.076 0.3 . 1 . . . . . 53 PRO CB . 27755 1 545 . 1 1 53 53 PRO CG C 13 27.186 0.3 . 1 . . . . . 53 PRO CG . 27755 1 546 . 1 1 53 53 PRO CD C 13 50.68 0.3 . 1 . . . . . 53 PRO CD . 27755 1 547 . 1 1 54 54 ALA H H 1 8.173 0.02 . 1 . . . . . 54 ALA HN . 27755 1 548 . 1 1 54 54 ALA HA H 1 4.282 0.02 . 1 . . . . . 54 ALA HA . 27755 1 549 . 1 1 54 54 ALA HB1 H 1 1.394 0.02 . 1 . . . . . 54 ALA HB . 27755 1 550 . 1 1 54 54 ALA HB2 H 1 1.394 0.02 . 1 . . . . . 54 ALA HB . 27755 1 551 . 1 1 54 54 ALA HB3 H 1 1.394 0.02 . 1 . . . . . 54 ALA HB . 27755 1 552 . 1 1 54 54 ALA CA C 13 52.72 0.3 . 1 . . . . . 54 ALA CA . 27755 1 553 . 1 1 54 54 ALA CB C 13 18.921 0.3 . 1 . . . . . 54 ALA CB . 27755 1 554 . 1 1 54 54 ALA N N 15 122.383 0.15 . 1 . . . . . 54 ALA N . 27755 1 555 . 1 1 55 55 ALA H H 1 7.989 0.02 . 1 . . . . . 55 ALA HN . 27755 1 556 . 1 1 55 55 ALA HA H 1 4.303 0.02 . 1 . . . . . 55 ALA HA . 27755 1 557 . 1 1 55 55 ALA HB1 H 1 1.419 0.02 . 1 . . . . . 55 ALA HB . 27755 1 558 . 1 1 55 55 ALA HB2 H 1 1.419 0.02 . 1 . . . . . 55 ALA HB . 27755 1 559 . 1 1 55 55 ALA HB3 H 1 1.419 0.02 . 1 . . . . . 55 ALA HB . 27755 1 560 . 1 1 55 55 ALA CA C 13 52.733 0.3 . 1 . . . . . 55 ALA CA . 27755 1 561 . 1 1 55 55 ALA CB C 13 19.241 0.3 . 1 . . . . . 55 ALA CB . 27755 1 562 . 1 1 55 55 ALA N N 15 122.337 0.15 . 1 . . . . . 55 ALA N . 27755 1 563 . 1 1 56 56 SER H H 1 8.109 0.02 . 1 . . . . . 56 SER HN . 27755 1 564 . 1 1 56 56 SER HA H 1 4.408 0.02 . 1 . . . . . 56 SER HA . 27755 1 565 . 1 1 56 56 SER HB2 H 1 3.895 0.02 . 1 . . . . . 56 SER HB . 27755 1 566 . 1 1 56 56 SER HB3 H 1 3.895 0.02 . 1 . . . . . 56 SER HB . 27755 1 567 . 1 1 56 56 SER CA C 13 58.552 0.3 . 1 . . . . . 56 SER CA . 27755 1 568 . 1 1 56 56 SER CB C 13 63.78 0.3 . 1 . . . . . 56 SER CB . 27755 1 569 . 1 1 56 56 SER N N 15 114.532 0.15 . 1 . . . . . 56 SER N . 27755 1 570 . 1 1 57 57 LYS H H 1 8.277 0.02 . 1 . . . . . 57 LYS HN . 27755 1 571 . 1 1 57 57 LYS HA H 1 4.294 0.02 . 1 . . . . . 57 LYS HA . 27755 1 572 . 1 1 57 57 LYS HB2 H 1 1.851 0.02 . 1 . . . . . 57 LYS HB . 27755 1 573 . 1 1 57 57 LYS HB3 H 1 1.851 0.02 . 1 . . . . . 57 LYS HB . 27755 1 574 . 1 1 57 57 LYS HG2 H 1 1.445 0.02 . 1 . . . . . 57 LYS HG . 27755 1 575 . 1 1 57 57 LYS HG3 H 1 1.445 0.02 . 1 . . . . . 57 LYS HG . 27755 1 576 . 1 1 57 57 LYS HD2 H 1 1.694 0.02 . 1 . . . . . 57 LYS HD . 27755 1 577 . 1 1 57 57 LYS HD3 H 1 1.694 0.02 . 1 . . . . . 57 LYS HD . 27755 1 578 . 1 1 57 57 LYS HE2 H 1 2.995 0.02 . 1 . . . . . 57 LYS HE . 27755 1 579 . 1 1 57 57 LYS HE3 H 1 2.995 0.02 . 1 . . . . . 57 LYS HE . 27755 1 580 . 1 1 57 57 LYS CA C 13 56.722 0.3 . 1 . . . . . 57 LYS CA . 27755 1 581 . 1 1 57 57 LYS CB C 13 32.888 0.3 . 1 . . . . . 57 LYS CB . 27755 1 582 . 1 1 57 57 LYS CG C 13 24.636 0.3 . 1 . . . . . 57 LYS CG . 27755 1 583 . 1 1 57 57 LYS CD C 13 29.042 0.3 . 1 . . . . . 57 LYS CD . 27755 1 584 . 1 1 57 57 LYS CE C 13 42.085 0.3 . 1 . . . . . 57 LYS CE . 27755 1 585 . 1 1 57 57 LYS N N 15 123.044 0.15 . 1 . . . . . 57 LYS N . 27755 1 586 . 1 1 58 58 GLU H H 1 8.285 0.02 . 1 . . . . . 58 GLU HN . 27755 1 587 . 1 1 58 58 GLU HA H 1 4.192 0.02 . 1 . . . . . 58 GLU HA . 27755 1 588 . 1 1 58 58 GLU HB2 H 1 1.918 0.02 . 1 . . . . . 58 GLU HB . 27755 1 589 . 1 1 58 58 GLU HB3 H 1 1.918 0.02 . 1 . . . . . 58 GLU HB . 27755 1 590 . 1 1 58 58 GLU HG2 H 1 2.214 0.02 . 1 . . . . . 58 GLU HG . 27755 1 591 . 1 1 58 58 GLU HG3 H 1 2.214 0.02 . 1 . . . . . 58 GLU HG . 27755 1 592 . 1 1 58 58 GLU CA C 13 56.933 0.3 . 1 . . . . . 58 GLU CA . 27755 1 593 . 1 1 58 58 GLU CB C 13 30.145 0.3 . 1 . . . . . 58 GLU CB . 27755 1 594 . 1 1 58 58 GLU CG C 13 36.202 0.3 . 1 . . . . . 58 GLU CG . 27755 1 595 . 1 1 58 58 GLU N N 15 121.063 0.15 . 1 . . . . . 58 GLU N . 27755 1 596 . 1 1 59 59 LYS H H 1 8.164 0.02 . 1 . . . . . 59 LYS HN . 27755 1 597 . 1 1 59 59 LYS HA H 1 4.236 0.02 . 1 . . . . . 59 LYS HA . 27755 1 598 . 1 1 59 59 LYS HB2 H 1 1.676 0.02 . 1 . . . . . 59 LYS HB . 27755 1 599 . 1 1 59 59 LYS HB3 H 1 1.676 0.02 . 1 . . . . . 59 LYS HB . 27755 1 600 . 1 1 59 59 LYS HG2 H 1 1.277 0.02 . 1 . . . . . 59 LYS HG . 27755 1 601 . 1 1 59 59 LYS HG3 H 1 1.277 0.02 . 1 . . . . . 59 LYS HG . 27755 1 602 . 1 1 59 59 LYS HD2 H 1 1.632 0.02 . 1 . . . . . 59 LYS HD . 27755 1 603 . 1 1 59 59 LYS HD3 H 1 1.632 0.02 . 1 . . . . . 59 LYS HD . 27755 1 604 . 1 1 59 59 LYS HE2 H 1 2.944 0.02 . 1 . . . . . 59 LYS HE . 27755 1 605 . 1 1 59 59 LYS HE3 H 1 2.944 0.02 . 1 . . . . . 59 LYS HE . 27755 1 606 . 1 1 59 59 LYS CA C 13 56.353 0.3 . 1 . . . . . 59 LYS CA . 27755 1 607 . 1 1 59 59 LYS CB C 13 33.052 0.3 . 1 . . . . . 59 LYS CB . 27755 1 608 . 1 1 59 59 LYS CG C 13 24.53 0.3 . 1 . . . . . 59 LYS CG . 27755 1 609 . 1 1 59 59 LYS CD C 13 29.022 0.3 . 1 . . . . . 59 LYS CD . 27755 1 610 . 1 1 59 59 LYS CE C 13 41.919 0.3 . 1 . . . . . 59 LYS CE . 27755 1 611 . 1 1 59 59 LYS N N 15 121.443 0.15 . 1 . . . . . 59 LYS N . 27755 1 612 . 1 1 60 60 PHE H H 1 8.234 0.02 . 1 . . . . . 60 PHE HN . 27755 1 613 . 1 1 60 60 PHE HA H 1 4.632 0.02 . 1 . . . . . 60 PHE HA . 27755 1 614 . 1 1 60 60 PHE HB2 H 1 3.191 0.02 . 1 . . . . . 60 PHE HB2 . 27755 1 615 . 1 1 60 60 PHE HB3 H 1 3.024 0.02 . 1 . . . . . 60 PHE HB3 . 27755 1 616 . 1 1 60 60 PHE CA C 13 57.896 0.3 . 1 . . . . . 60 PHE CA . 27755 1 617 . 1 1 60 60 PHE CB C 13 39.577 0.3 . 1 . . . . . 60 PHE CB . 27755 1 618 . 1 1 60 60 PHE N N 15 120.629 0.15 . 1 . . . . . 60 PHE N . 27755 1 619 . 1 1 61 61 GLY H H 1 8.249 0.02 . 1 . . . . . 61 GLY HN . 27755 1 620 . 1 1 61 61 GLY HA2 H 1 3.927 0.02 . 1 . . . . . 61 GLY HA . 27755 1 621 . 1 1 61 61 GLY HA3 H 1 3.927 0.02 . 1 . . . . . 61 GLY HA . 27755 1 622 . 1 1 61 61 GLY CA C 13 45.435 0.3 . 1 . . . . . 61 GLY CA . 27755 1 623 . 1 1 61 61 GLY N N 15 109.805 0.15 . 1 . . . . . 61 GLY N . 27755 1 624 . 1 1 62 62 ASP H H 1 8.178 0.02 . 1 . . . . . 62 ASP HN . 27755 1 625 . 1 1 62 62 ASP HA H 1 4.625 0.02 . 1 . . . . . 62 ASP HA . 27755 1 626 . 1 1 62 62 ASP HB2 H 1 2.687 0.02 . 1 . . . . . 62 ASP HB2 . 27755 1 627 . 1 1 62 62 ASP HB3 H 1 2.575 0.02 . 1 . . . . . 62 ASP HB3 . 27755 1 628 . 1 1 62 62 ASP CA C 13 54.247 0.3 . 1 . . . . . 62 ASP CA . 27755 1 629 . 1 1 62 62 ASP CB C 13 41.302 0.3 . 1 . . . . . 62 ASP CB . 27755 1 630 . 1 1 62 62 ASP N N 15 120.402 0.15 . 1 . . . . . 62 ASP N . 27755 1 631 . 1 1 63 63 ILE H H 1 8.074 0.02 . 1 . . . . . 63 ILE HN . 27755 1 632 . 1 1 63 63 ILE CA C 13 59.655 0.3 . 1 . . . . . 63 ILE CA . 27755 1 633 . 1 1 63 63 ILE CB C 13 38.305 0.3 . 1 . . . . . 63 ILE CB . 27755 1 634 . 1 1 63 63 ILE N N 15 121.734 0.15 . 1 . . . . . 63 ILE N . 27755 1 635 . 1 1 64 64 PRO HA H 1 4.38 0.02 . 1 . . . . . 64 PRO HA . 27755 1 636 . 1 1 64 64 PRO HB2 H 1 2.315 0.02 . 1 . . . . . 64 PRO HB . 27755 1 637 . 1 1 64 64 PRO HB3 H 1 2.315 0.02 . 1 . . . . . 64 PRO HB . 27755 1 638 . 1 1 64 64 PRO HG2 H 1 2.001 0.02 . 2 . . . . . 64 PRO HG2 . 27755 1 639 . 1 1 64 64 PRO HG3 H 1 1.92 0.02 . 2 . . . . . 64 PRO HG3 . 27755 1 640 . 1 1 64 64 PRO HD2 H 1 3.663 0.02 . 1 . . . . . 64 PRO HD . 27755 1 641 . 1 1 64 64 PRO HD3 H 1 3.663 0.02 . 1 . . . . . 64 PRO HD . 27755 1 642 . 1 1 64 64 PRO CA C 13 63.539 0.3 . 1 . . . . . 64 PRO CA . 27755 1 643 . 1 1 64 64 PRO CB C 13 32.001 0.3 . 1 . . . . . 64 PRO CB . 27755 1 644 . 1 1 64 64 PRO CG C 13 27.57 0.3 . 1 . . . . . 64 PRO CG . 27755 1 645 . 1 1 64 64 PRO CD C 13 50.877 0.3 . 1 . . . . . 64 PRO CD . 27755 1 646 . 1 1 65 65 ALA H H 1 8.284 0.02 . 1 . . . . . 65 ALA HN . 27755 1 647 . 1 1 65 65 ALA HA H 1 4.368 0.02 . 1 . . . . . 65 ALA HA . 27755 1 648 . 1 1 65 65 ALA HB1 H 1 1.439 0.02 . 1 . . . . . 65 ALA HB . 27755 1 649 . 1 1 65 65 ALA HB2 H 1 1.439 0.02 . 1 . . . . . 65 ALA HB . 27755 1 650 . 1 1 65 65 ALA HB3 H 1 1.439 0.02 . 1 . . . . . 65 ALA HB . 27755 1 651 . 1 1 65 65 ALA CA C 13 53.401 0.3 . 1 . . . . . 65 ALA CA . 27755 1 652 . 1 1 65 65 ALA CB C 13 18.981 0.3 . 1 . . . . . 65 ALA CB . 27755 1 653 . 1 1 65 65 ALA N N 15 123.561 0.15 . 1 . . . . . 65 ALA N . 27755 1 654 . 1 1 66 66 LYS H H 1 8.439 0.02 . 1 . . . . . 66 LYS HN . 27755 1 655 . 1 1 66 66 LYS HA H 1 4.117 0.02 . 1 . . . . . 66 LYS HA . 27755 1 656 . 1 1 66 66 LYS HB2 H 1 1.829 0.02 . 1 . . . . . 66 LYS HB . 27755 1 657 . 1 1 66 66 LYS HB3 H 1 1.829 0.02 . 1 . . . . . 66 LYS HB . 27755 1 658 . 1 1 66 66 LYS HG2 H 1 1.575 0.02 . 2 . . . . . 66 LYS HG2 . 27755 1 659 . 1 1 66 66 LYS HG3 H 1 1.448 0.02 . 2 . . . . . 66 LYS HG3 . 27755 1 660 . 1 1 66 66 LYS HD2 H 1 1.679 0.02 . 1 . . . . . 66 LYS HD . 27755 1 661 . 1 1 66 66 LYS HD3 H 1 1.679 0.02 . 1 . . . . . 66 LYS HD . 27755 1 662 . 1 1 66 66 LYS HE2 H 1 2.99 0.02 . 1 . . . . . 66 LYS HE . 27755 1 663 . 1 1 66 66 LYS HE3 H 1 2.99 0.02 . 1 . . . . . 66 LYS HE . 27755 1 664 . 1 1 66 66 LYS CA C 13 58.477 0.3 . 1 . . . . . 66 LYS CA . 27755 1 665 . 1 1 66 66 LYS CB C 13 32.564 0.3 . 1 . . . . . 66 LYS CB . 27755 1 666 . 1 1 66 66 LYS CG C 13 25.366 0.3 . 1 . . . . . 66 LYS CG . 27755 1 667 . 1 1 66 66 LYS CD C 13 29.221 0.3 . 1 . . . . . 66 LYS CD . 27755 1 668 . 1 1 66 66 LYS CE C 13 41.872 0.3 . 1 . . . . . 66 LYS CE . 27755 1 669 . 1 1 66 66 LYS N N 15 119.199 0.15 . 1 . . . . . 66 LYS N . 27755 1 670 . 1 1 67 67 GLY H H 1 8.43 0.02 . 1 . . . . . 67 GLY HN . 27755 1 671 . 1 1 67 67 GLY HA2 H 1 3.776 0.02 . 1 . . . . . 67 GLY HA . 27755 1 672 . 1 1 67 67 GLY HA3 H 1 3.776 0.02 . 1 . . . . . 67 GLY HA . 27755 1 673 . 1 1 67 67 GLY CA C 13 46.641 0.3 . 1 . . . . . 67 GLY CA . 27755 1 674 . 1 1 67 67 GLY N N 15 107.085 0.15 . 1 . . . . . 67 GLY N . 27755 1 675 . 1 1 68 68 MET H H 1 7.881 0.02 . 1 . . . . . 68 MET HN . 27755 1 676 . 1 1 68 68 MET HA H 1 4.241 0.02 . 1 . . . . . 68 MET HA . 27755 1 677 . 1 1 68 68 MET HB2 H 1 1.899 0.02 . 1 . . . . . 68 MET HB . 27755 1 678 . 1 1 68 68 MET HB3 H 1 1.899 0.02 . 1 . . . . . 68 MET HB . 27755 1 679 . 1 1 68 68 MET HG2 H 1 2.233 0.02 . 1 . . . . . 68 MET HG . 27755 1 680 . 1 1 68 68 MET HG3 H 1 2.233 0.02 . 1 . . . . . 68 MET HG . 27755 1 681 . 1 1 68 68 MET CA C 13 56.824 0.3 . 1 . . . . . 68 MET CA . 27755 1 682 . 1 1 68 68 MET CB C 13 29.877 0.3 . 1 . . . . . 68 MET CB . 27755 1 683 . 1 1 68 68 MET CE C 13 19.133 0.3 . 1 . . . . . 68 MET CE . 27755 1 684 . 1 1 68 68 MET N N 15 120.281 0.15 . 1 . . . . . 68 MET N . 27755 1 685 . 1 1 69 69 LEU H H 1 8.233 0.02 . 1 . . . . . 69 LEU HN . 27755 1 686 . 1 1 69 69 LEU CA C 13 53.09 0.3 . 1 . . . . . 69 LEU CA . 27755 1 687 . 1 1 69 69 LEU CB C 13 38.95 0.3 . 1 . . . . . 69 LEU CB . 27755 1 688 . 1 1 69 69 LEU N N 15 119.04 0.15 . 1 . . . . . 69 LEU N . 27755 1 689 . 1 1 70 70 VAL HA H 1 4.012 0.02 . 1 . . . . . 70 VAL HA . 27755 1 690 . 1 1 70 70 VAL HB H 1 2.048 0.02 . 1 . . . . . 70 VAL HB . 27755 1 691 . 1 1 70 70 VAL HG11 H 1 0.915 0.02 . 1 . . . . . 70 VAL HG . 27755 1 692 . 1 1 70 70 VAL HG12 H 1 0.915 0.02 . 1 . . . . . 70 VAL HG . 27755 1 693 . 1 1 70 70 VAL HG13 H 1 0.915 0.02 . 1 . . . . . 70 VAL HG . 27755 1 694 . 1 1 70 70 VAL HG21 H 1 0.915 0.02 . 1 . . . . . 70 VAL HG . 27755 1 695 . 1 1 70 70 VAL HG22 H 1 0.915 0.02 . 1 . . . . . 70 VAL HG . 27755 1 696 . 1 1 70 70 VAL HG23 H 1 0.915 0.02 . 1 . . . . . 70 VAL HG . 27755 1 697 . 1 1 70 70 VAL CA C 13 62.565 0.3 . 1 . . . . . 70 VAL CA . 27755 1 698 . 1 1 70 70 VAL CB C 13 32.645 0.3 . 1 . . . . . 70 VAL CB . 27755 1 699 . 1 1 70 70 VAL CG1 C 13 20.867 0.3 . 1 . . . . . 70 VAL CG# . 27755 1 700 . 1 1 70 70 VAL CG2 C 13 20.867 0.3 . 1 . . . . . 70 VAL CG# . 27755 1 701 . 1 1 71 71 ARG H H 1 8.649 0.02 . 1 . . . . . 71 ARG HN . 27755 1 702 . 1 1 71 71 ARG HA H 1 4.011 0.02 . 1 . . . . . 71 ARG HA . 27755 1 703 . 1 1 71 71 ARG HB2 H 1 1.912 0.02 . 1 . . . . . 71 ARG HB . 27755 1 704 . 1 1 71 71 ARG HB3 H 1 1.912 0.02 . 1 . . . . . 71 ARG HB . 27755 1 705 . 1 1 71 71 ARG HG2 H 1 1.594 0.02 . 1 . . . . . 71 ARG HG . 27755 1 706 . 1 1 71 71 ARG HG3 H 1 1.594 0.02 . 1 . . . . . 71 ARG HG . 27755 1 707 . 1 1 71 71 ARG HD2 H 1 3.141 0.02 . 1 . . . . . 71 ARG HD . 27755 1 708 . 1 1 71 71 ARG HD3 H 1 3.141 0.02 . 1 . . . . . 71 ARG HD . 27755 1 709 . 1 1 71 71 ARG CA C 13 56.807 0.3 . 1 . . . . . 71 ARG CA . 27755 1 710 . 1 1 71 71 ARG CB C 13 29.872 0.3 . 1 . . . . . 71 ARG CB . 27755 1 711 . 1 1 71 71 ARG CG C 13 27.48 0.3 . 1 . . . . . 71 ARG CG . 27755 1 712 . 1 1 71 71 ARG CD C 13 42.591 0.3 . 1 . . . . . 71 ARG CD . 27755 1 713 . 1 1 71 71 ARG N N 15 123.51 0.15 . 1 . . . . . 71 ARG N . 27755 1 714 . 1 1 72 72 GLU H H 1 7.981 0.02 . 1 . . . . . 72 GLU HN . 27755 1 715 . 1 1 72 72 GLU HA H 1 4.109 0.02 . 1 . . . . . 72 GLU HA . 27755 1 716 . 1 1 72 72 GLU HB2 H 1 2.275 0.02 . 1 . . . . . 72 GLU HB . 27755 1 717 . 1 1 72 72 GLU HB3 H 1 2.275 0.02 . 1 . . . . . 72 GLU HB . 27755 1 718 . 1 1 72 72 GLU HG2 H 1 2.435 0.02 . 1 . . . . . 72 GLU HG . 27755 1 719 . 1 1 72 72 GLU HG3 H 1 2.435 0.02 . 1 . . . . . 72 GLU HG . 27755 1 720 . 1 1 72 72 GLU CA C 13 59.11 0.3 . 1 . . . . . 72 GLU CA . 27755 1 721 . 1 1 72 72 GLU CB C 13 29.664 0.3 . 1 . . . . . 72 GLU CB . 27755 1 722 . 1 1 72 72 GLU CG C 13 36.516 0.3 . 1 . . . . . 72 GLU CG . 27755 1 723 . 1 1 72 72 GLU N N 15 118.235 0.15 . 1 . . . . . 72 GLU N . 27755 1 724 . 1 1 73 73 ALA H H 1 7.666 0.02 . 1 . . . . . 73 ALA HN . 27755 1 725 . 1 1 73 73 ALA HA H 1 4.611 0.02 . 1 . . . . . 73 ALA HA . 27755 1 726 . 1 1 73 73 ALA HB1 H 1 1.437 0.02 . 1 . . . . . 73 ALA HB . 27755 1 727 . 1 1 73 73 ALA HB2 H 1 1.437 0.02 . 1 . . . . . 73 ALA HB . 27755 1 728 . 1 1 73 73 ALA HB3 H 1 1.437 0.02 . 1 . . . . . 73 ALA HB . 27755 1 729 . 1 1 73 73 ALA CA C 13 54.947 0.3 . 1 . . . . . 73 ALA CA . 27755 1 730 . 1 1 73 73 ALA CB C 13 18.524 0.3 . 1 . . . . . 73 ALA CB . 27755 1 731 . 1 1 73 73 ALA N N 15 121.961 0.15 . 1 . . . . . 73 ALA N . 27755 1 732 . 1 1 74 74 ILE H H 1 8.182 0.02 . 1 . . . . . 74 ILE HN . 27755 1 733 . 1 1 74 74 ILE CA C 13 64.553 0.3 . 1 . . . . . 74 ILE CA . 27755 1 734 . 1 1 74 74 ILE CB C 13 37.599 0.3 . 1 . . . . . 74 ILE CB . 27755 1 735 . 1 1 74 74 ILE N N 15 117.184 0.15 . 1 . . . . . 74 ILE N . 27755 1 736 . 1 1 75 75 ASP HA H 1 4.255 0.02 . 1 . . . . . 75 ASP HA . 27755 1 737 . 1 1 75 75 ASP HB2 H 1 2.807 0.02 . 1 . . . . . 75 ASP HB2 . 27755 1 738 . 1 1 75 75 ASP HB3 H 1 2.633 0.02 . 1 . . . . . 75 ASP HB3 . 27755 1 739 . 1 1 75 75 ASP CA C 13 57.452 0.3 . 1 . . . . . 75 ASP CA . 27755 1 740 . 1 1 75 75 ASP CB C 13 40.903 0.3 . 1 . . . . . 75 ASP CB . 27755 1 741 . 1 1 76 76 ARG H H 1 7.727 0.02 . 1 . . . . . 76 ARG HN . 27755 1 742 . 1 1 76 76 ARG HB2 H 1 1.968 0.02 . 2 . . . . . 76 ARG HB2 . 27755 1 743 . 1 1 76 76 ARG HB3 H 1 1.956 0.02 . 2 . . . . . 76 ARG HB3 . 27755 1 744 . 1 1 76 76 ARG HD2 H 1 3.23 0.02 . 1 . . . . . 76 ARG HD . 27755 1 745 . 1 1 76 76 ARG HD3 H 1 3.23 0.02 . 1 . . . . . 76 ARG HD . 27755 1 746 . 1 1 76 76 ARG CA C 13 58.514 0.3 . 1 . . . . . 76 ARG CA . 27755 1 747 . 1 1 76 76 ARG CB C 13 30.58 0.3 . 1 . . . . . 76 ARG CB . 27755 1 748 . 1 1 76 76 ARG CG C 13 27.66 0.3 . 1 . . . . . 76 ARG CG . 27755 1 749 . 1 1 76 76 ARG CD C 13 43.421 0.3 . 1 . . . . . 76 ARG CD . 27755 1 750 . 1 1 76 76 ARG N N 15 117.523 0.15 . 1 . . . . . 76 ARG N . 27755 1 751 . 1 1 77 77 VAL H H 1 7.693 0.02 . 1 . . . . . 77 VAL HN . 27755 1 752 . 1 1 77 77 VAL CA C 13 64.15 0.3 . 1 . . . . . 77 VAL CA . 27755 1 753 . 1 1 77 77 VAL N N 15 115.977 0.15 . 1 . . . . . 77 VAL N . 27755 1 754 . 1 1 78 78 LEU HA H 1 4.394 0.02 . 1 . . . . . 78 LEU HA . 27755 1 755 . 1 1 78 78 LEU HB2 H 1 1.763 0.02 . 1 . . . . . 78 LEU HB . 27755 1 756 . 1 1 78 78 LEU HB3 H 1 1.763 0.02 . 1 . . . . . 78 LEU HB . 27755 1 757 . 1 1 78 78 LEU HG H 1 1.435 0.02 . 1 . . . . . 78 LEU HG . 27755 1 758 . 1 1 78 78 LEU HD11 H 1 0.833 0.02 . 1 . . . . . 78 LEU HD . 27755 1 759 . 1 1 78 78 LEU HD12 H 1 0.833 0.02 . 1 . . . . . 78 LEU HD . 27755 1 760 . 1 1 78 78 LEU HD13 H 1 0.833 0.02 . 1 . . . . . 78 LEU HD . 27755 1 761 . 1 1 78 78 LEU HD21 H 1 0.833 0.02 . 1 . . . . . 78 LEU HD . 27755 1 762 . 1 1 78 78 LEU HD22 H 1 0.833 0.02 . 1 . . . . . 78 LEU HD . 27755 1 763 . 1 1 78 78 LEU HD23 H 1 0.833 0.02 . 1 . . . . . 78 LEU HD . 27755 1 764 . 1 1 78 78 LEU CA C 13 55.278 0.3 . 1 . . . . . 78 LEU CA . 27755 1 765 . 1 1 78 78 LEU CB C 13 42.578 0.3 . 1 . . . . . 78 LEU CB . 27755 1 766 . 1 1 78 78 LEU CG C 13 26.326 0.3 . 1 . . . . . 78 LEU CG . 27755 1 767 . 1 1 78 78 LEU CD1 C 13 22.761 0.3 . 1 . . . . . 78 LEU CD . 27755 1 768 . 1 1 78 78 LEU CD2 C 13 22.761 0.3 . 1 . . . . . 78 LEU CD . 27755 1 769 . 1 1 79 79 GLY H H 1 7.961 0.02 . 1 . . . . . 79 GLY HN . 27755 1 770 . 1 1 79 79 GLY HA2 H 1 4.063 0.02 . 1 . . . . . 79 GLY HA . 27755 1 771 . 1 1 79 79 GLY HA3 H 1 4.063 0.02 . 1 . . . . . 79 GLY HA . 27755 1 772 . 1 1 79 79 GLY CA C 13 45.699 0.3 . 1 . . . . . 79 GLY CA . 27755 1 773 . 1 1 79 79 GLY N N 15 107.194 0.15 . 1 . . . . . 79 GLY N . 27755 1 774 . 1 1 80 80 THR H H 1 8.286 0.02 . 1 . . . . . 80 THR HN . 27755 1 775 . 1 1 80 80 THR HA H 1 4.433 0.02 . 1 . . . . . 80 THR HA . 27755 1 776 . 1 1 80 80 THR HB H 1 4.31 0.02 . 1 . . . . . 80 THR HB . 27755 1 777 . 1 1 80 80 THR HG21 H 1 1.207 0.02 . 1 . . . . . 80 THR HG2 . 27755 1 778 . 1 1 80 80 THR HG22 H 1 1.207 0.02 . 1 . . . . . 80 THR HG2 . 27755 1 779 . 1 1 80 80 THR HG23 H 1 1.207 0.02 . 1 . . . . . 80 THR HG2 . 27755 1 780 . 1 1 80 80 THR CA C 13 62.294 0.3 . 1 . . . . . 80 THR CA . 27755 1 781 . 1 1 80 80 THR CB C 13 69.029 0.3 . 1 . . . . . 80 THR CB . 27755 1 782 . 1 1 80 80 THR CG2 C 13 21.593 0.3 . 1 . . . . . 80 THR CG2 . 27755 1 783 . 1 1 80 80 THR N N 15 111.732 0.15 . 1 . . . . . 80 THR N . 27755 1 784 . 1 1 81 81 ASP H H 1 8.524 0.02 . 1 . . . . . 81 ASP HN . 27755 1 785 . 1 1 81 81 ASP HA H 1 4.719 0.02 . 1 . . . . . 81 ASP HA . 27755 1 786 . 1 1 81 81 ASP HB2 H 1 2.727 0.02 . 1 . . . . . 81 ASP HB . 27755 1 787 . 1 1 81 81 ASP HB3 H 1 2.727 0.02 . 1 . . . . . 81 ASP HB . 27755 1 788 . 1 1 81 81 ASP CA C 13 55.113 0.3 . 1 . . . . . 81 ASP CA . 27755 1 789 . 1 1 81 81 ASP CB C 13 40.689 0.3 . 1 . . . . . 81 ASP CB . 27755 1 790 . 1 1 81 81 ASP N N 15 120.812 0.15 . 1 . . . . . 81 ASP N . 27755 1 791 . 1 1 82 82 VAL H H 1 7.091 0.02 . 1 . . . . . 82 VAL HN . 27755 1 792 . 1 1 82 82 VAL CA C 13 59.119 0.3 . 1 . . . . . 82 VAL CA . 27755 1 793 . 1 1 82 82 VAL N N 15 118.449 0.15 . 1 . . . . . 82 VAL N . 27755 1 794 . 1 1 87 87 LYS H H 1 8.517 0.02 . 1 . . . . . 87 LYS HN . 27755 1 795 . 1 1 87 87 LYS CB C 13 32.162 0.3 . 1 . . . . . 87 LYS CB . 27755 1 796 . 1 1 87 87 LYS N N 15 118.668 0.15 . 1 . . . . . 87 LYS N . 27755 1 797 . 1 1 88 88 ASN H H 1 8.516 0.02 . 1 . . . . . 88 ASN HN . 27755 1 798 . 1 1 88 88 ASN HB2 H 1 2.877 0.02 . 1 . . . . . 88 ASN HB . 27755 1 799 . 1 1 88 88 ASN HB3 H 1 2.877 0.02 . 1 . . . . . 88 ASN HB . 27755 1 800 . 1 1 88 88 ASN CA C 13 55.84 0.3 . 1 . . . . . 88 ASN CA . 27755 1 801 . 1 1 88 88 ASN CB C 13 37.952 0.3 . 1 . . . . . 88 ASN CB . 27755 1 802 . 1 1 88 88 ASN N N 15 118.723 0.15 . 1 . . . . . 88 ASN N . 27755 1 803 . 1 1 89 89 ASP H H 1 7.918 0.02 . 1 . . . . . 89 ASP HN . 27755 1 804 . 1 1 89 89 ASP HA H 1 4.44 0.02 . 1 . . . . . 89 ASP HA . 27755 1 805 . 1 1 89 89 ASP HB2 H 1 2.885 0.02 . 1 . . . . . 89 ASP HB . 27755 1 806 . 1 1 89 89 ASP HB3 H 1 2.885 0.02 . 1 . . . . . 89 ASP HB . 27755 1 807 . 1 1 89 89 ASP CA C 13 57.638 0.3 . 1 . . . . . 89 ASP CA . 27755 1 808 . 1 1 89 89 ASP CB C 13 41.919 0.3 . 1 . . . . . 89 ASP CB . 27755 1 809 . 1 1 89 89 ASP N N 15 122.252 0.15 . 1 . . . . . 89 ASP N . 27755 1 810 . 1 1 90 90 MET H H 1 8.547 0.02 . 1 . . . . . 90 MET HN . 27755 1 811 . 1 1 90 90 MET HA H 1 4.124 0.02 . 1 . . . . . 90 MET HA . 27755 1 812 . 1 1 90 90 MET HB2 H 1 2.166 0.02 . 1 . . . . . 90 MET HB . 27755 1 813 . 1 1 90 90 MET HB3 H 1 2.166 0.02 . 1 . . . . . 90 MET HB . 27755 1 814 . 1 1 90 90 MET HG2 H 1 2.443 0.02 . 1 . . . . . 90 MET HG . 27755 1 815 . 1 1 90 90 MET HG3 H 1 2.443 0.02 . 1 . . . . . 90 MET HG . 27755 1 816 . 1 1 90 90 MET CA C 13 59.393 0.3 . 1 . . . . . 90 MET CA . 27755 1 817 . 1 1 90 90 MET CB C 13 33.627 0.3 . 1 . . . . . 90 MET CB . 27755 1 818 . 1 1 90 90 MET CG C 13 32.139 0.3 . 1 . . . . . 90 MET CG . 27755 1 819 . 1 1 90 90 MET N N 15 118.712 0.15 . 1 . . . . . 90 MET N . 27755 1 820 . 1 1 91 91 SER H H 1 8.103 0.02 . 1 . . . . . 91 SER HN . 27755 1 821 . 1 1 91 91 SER HA H 1 4.047 0.02 . 1 . . . . . 91 SER HA . 27755 1 822 . 1 1 91 91 SER HB2 H 1 3.88 0.02 . 1 . . . . . 91 SER HB . 27755 1 823 . 1 1 91 91 SER HB3 H 1 3.88 0.02 . 1 . . . . . 91 SER HB . 27755 1 824 . 1 1 91 91 SER CA C 13 62.004 0.3 . 1 . . . . . 91 SER CA . 27755 1 825 . 1 1 91 91 SER CB C 13 62.808 0.3 . 1 . . . . . 91 SER CB . 27755 1 826 . 1 1 91 91 SER N N 15 114.303 0.15 . 1 . . . . . 91 SER N . 27755 1 827 . 1 1 92 92 SER H H 1 7.908 0.02 . 1 . . . . . 92 SER HN . 27755 1 828 . 1 1 92 92 SER HA H 1 4.246 0.02 . 1 . . . . . 92 SER HA . 27755 1 829 . 1 1 92 92 SER HB2 H 1 4.005 0.02 . 1 . . . . . 92 SER HB . 27755 1 830 . 1 1 92 92 SER HB3 H 1 4.005 0.02 . 1 . . . . . 92 SER HB . 27755 1 831 . 1 1 92 92 SER CA C 13 61.589 0.3 . 1 . . . . . 92 SER CA . 27755 1 832 . 1 1 92 92 SER CB C 13 62.937 0.3 . 1 . . . . . 92 SER CB . 27755 1 833 . 1 1 92 92 SER N N 15 117.72 0.15 . 1 . . . . . 92 SER N . 27755 1 834 . 1 1 93 93 LEU H H 1 8.075 0.02 . 1 . . . . . 93 LEU HN . 27755 1 835 . 1 1 93 93 LEU HA H 1 4.308 0.02 . 1 . . . . . 93 LEU HA . 27755 1 836 . 1 1 93 93 LEU HB2 H 1 1.859 0.02 . 1 . . . . . 93 LEU HB . 27755 1 837 . 1 1 93 93 LEU HB3 H 1 1.859 0.02 . 1 . . . . . 93 LEU HB . 27755 1 838 . 1 1 93 93 LEU CA C 13 58.09 0.3 . 1 . . . . . 93 LEU CA . 27755 1 839 . 1 1 93 93 LEU CB C 13 42.241 0.3 . 1 . . . . . 93 LEU CB . 27755 1 840 . 1 1 93 93 LEU CG C 13 27.337 0.3 . 1 . . . . . 93 LEU CG . 27755 1 841 . 1 1 93 93 LEU CD1 C 13 25.225 0.3 . 1 . . . . . 93 LEU CD1 . 27755 1 842 . 1 1 93 93 LEU CD2 C 13 23.908 0.3 . 1 . . . . . 93 LEU CD2 . 27755 1 843 . 1 1 93 93 LEU N N 15 123.296 0.15 . 1 . . . . . 93 LEU N . 27755 1 844 . 1 1 94 94 LEU H H 1 8.168 0.02 . 1 . . . . . 94 LEU HN . 27755 1 845 . 1 1 94 94 LEU HA H 1 3.929 0.02 . 1 . . . . . 94 LEU HA . 27755 1 846 . 1 1 94 94 LEU HB2 H 1 1.611 0.02 . 1 . . . . . 94 LEU HB . 27755 1 847 . 1 1 94 94 LEU HB3 H 1 1.611 0.02 . 1 . . . . . 94 LEU HB . 27755 1 848 . 1 1 94 94 LEU HG H 1 1.48 0.02 . 1 . . . . . 94 LEU HG . 27755 1 849 . 1 1 94 94 LEU HD11 H 1 0.544 0.02 . 1 . . . . . 94 LEU HD . 27755 1 850 . 1 1 94 94 LEU HD12 H 1 0.544 0.02 . 1 . . . . . 94 LEU HD . 27755 1 851 . 1 1 94 94 LEU HD13 H 1 0.544 0.02 . 1 . . . . . 94 LEU HD . 27755 1 852 . 1 1 94 94 LEU HD21 H 1 0.544 0.02 . 1 . . . . . 94 LEU HD . 27755 1 853 . 1 1 94 94 LEU HD22 H 1 0.544 0.02 . 1 . . . . . 94 LEU HD . 27755 1 854 . 1 1 94 94 LEU HD23 H 1 0.544 0.02 . 1 . . . . . 94 LEU HD . 27755 1 855 . 1 1 94 94 LEU CA C 13 57.713 0.3 . 1 . . . . . 94 LEU CA . 27755 1 856 . 1 1 94 94 LEU CB C 13 41.484 0.3 . 1 . . . . . 94 LEU CB . 27755 1 857 . 1 1 94 94 LEU CG C 13 27.032 0.3 . 1 . . . . . 94 LEU CG . 27755 1 858 . 1 1 94 94 LEU CD1 C 13 24.202 0.3 . 1 . . . . . 94 LEU CD . 27755 1 859 . 1 1 94 94 LEU CD2 C 13 24.202 0.3 . 1 . . . . . 94 LEU CD . 27755 1 860 . 1 1 94 94 LEU N N 15 118.472 0.15 . 1 . . . . . 94 LEU N . 27755 1 861 . 1 1 95 95 ALA H H 1 8.171 0.02 . 1 . . . . . 95 ALA HN . 27755 1 862 . 1 1 95 95 ALA HA H 1 3.948 0.02 . 1 . . . . . 95 ALA HA . 27755 1 863 . 1 1 95 95 ALA HB1 H 1 1.48 0.02 . 1 . . . . . 95 ALA HB . 27755 1 864 . 1 1 95 95 ALA HB2 H 1 1.48 0.02 . 1 . . . . . 95 ALA HB . 27755 1 865 . 1 1 95 95 ALA HB3 H 1 1.48 0.02 . 1 . . . . . 95 ALA HB . 27755 1 866 . 1 1 95 95 ALA CA C 13 55.428 0.3 . 1 . . . . . 95 ALA CA . 27755 1 867 . 1 1 95 95 ALA CB C 13 18.229 0.3 . 1 . . . . . 95 ALA CB . 27755 1 868 . 1 1 95 95 ALA N N 15 119.7 0.15 . 1 . . . . . 95 ALA N . 27755 1 869 . 1 1 96 96 GLN H H 1 7.967 0.02 . 1 . . . . . 96 GLN HN . 27755 1 870 . 1 1 96 96 GLN HA H 1 4.038 0.02 . 1 . . . . . 96 GLN HA . 27755 1 871 . 1 1 96 96 GLN HB2 H 1 2.152 0.02 . 1 . . . . . 96 GLN HB . 27755 1 872 . 1 1 96 96 GLN HB3 H 1 2.152 0.02 . 1 . . . . . 96 GLN HB . 27755 1 873 . 1 1 96 96 GLN HG2 H 1 2.427 0.02 . 1 . . . . . 96 GLN HG . 27755 1 874 . 1 1 96 96 GLN HG3 H 1 2.427 0.02 . 1 . . . . . 96 GLN HG . 27755 1 875 . 1 1 96 96 GLN CA C 13 57.972 0.3 . 1 . . . . . 96 GLN CA . 27755 1 876 . 1 1 96 96 GLN CB C 13 28.582 0.3 . 1 . . . . . 96 GLN CB . 27755 1 877 . 1 1 96 96 GLN CG C 13 34.026 0.3 . 1 . . . . . 96 GLN CG . 27755 1 878 . 1 1 96 96 GLN N N 15 116.036 0.15 . 1 . . . . . 96 GLN N . 27755 1 879 . 1 1 97 97 GLN H H 1 7.981 0.02 . 1 . . . . . 97 GLN HN . 27755 1 880 . 1 1 97 97 GLN HA H 1 4.138 0.02 . 1 . . . . . 97 GLN HA . 27755 1 881 . 1 1 97 97 GLN HB2 H 1 2.082 0.02 . 1 . . . . . 97 GLN HB . 27755 1 882 . 1 1 97 97 GLN HB3 H 1 2.082 0.02 . 1 . . . . . 97 GLN HB . 27755 1 883 . 1 1 97 97 GLN HG2 H 1 2.352 0.02 . 1 . . . . . 97 GLN HG . 27755 1 884 . 1 1 97 97 GLN HG3 H 1 2.352 0.02 . 1 . . . . . 97 GLN HG . 27755 1 885 . 1 1 97 97 GLN CA C 13 58.462 0.3 . 1 . . . . . 97 GLN CA . 27755 1 886 . 1 1 97 97 GLN CB C 13 29.012 0.3 . 1 . . . . . 97 GLN CB . 27755 1 887 . 1 1 97 97 GLN CG C 13 33.966 0.3 . 1 . . . . . 97 GLN CG . 27755 1 888 . 1 1 97 97 GLN N N 15 119.361 0.15 . 1 . . . . . 97 GLN N . 27755 1 889 . 1 1 98 98 ILE H H 1 8.164 0.02 . 1 . . . . . 98 ILE HN . 27755 1 890 . 1 1 98 98 ILE HA H 1 3.871 0.02 . 1 . . . . . 98 ILE HA . 27755 1 891 . 1 1 98 98 ILE HG21 H 1 0.851 0.02 . 1 . . . . . 98 ILE HG2 . 27755 1 892 . 1 1 98 98 ILE HG22 H 1 0.851 0.02 . 1 . . . . . 98 ILE HG2 . 27755 1 893 . 1 1 98 98 ILE HG23 H 1 0.851 0.02 . 1 . . . . . 98 ILE HG2 . 27755 1 894 . 1 1 98 98 ILE HD11 H 1 0.708 0.02 . 1 . . . . . 98 ILE HD1 . 27755 1 895 . 1 1 98 98 ILE HD12 H 1 0.708 0.02 . 1 . . . . . 98 ILE HD1 . 27755 1 896 . 1 1 98 98 ILE HD13 H 1 0.708 0.02 . 1 . . . . . 98 ILE HD1 . 27755 1 897 . 1 1 98 98 ILE CA C 13 63.973 0.3 . 1 . . . . . 98 ILE CA . 27755 1 898 . 1 1 98 98 ILE CB C 13 38.047 0.3 . 1 . . . . . 98 ILE CB . 27755 1 899 . 1 1 98 98 ILE CG2 C 13 17.325 0.3 . 1 . . . . . 98 ILE CG2 . 27755 1 900 . 1 1 98 98 ILE CD1 C 13 13.596 0.3 . 1 . . . . . 98 ILE CD1 . 27755 1 901 . 1 1 98 98 ILE N N 15 119.042 0.15 . 1 . . . . . 98 ILE N . 27755 1 902 . 1 1 99 99 GLU H H 1 7.872 0.02 . 1 . . . . . 99 GLU HN . 27755 1 903 . 1 1 99 99 GLU HA H 1 4.116 0.02 . 1 . . . . . 99 GLU HA . 27755 1 904 . 1 1 99 99 GLU HB2 H 1 2.095 0.02 . 1 . . . . . 99 GLU HB . 27755 1 905 . 1 1 99 99 GLU HB3 H 1 2.095 0.02 . 1 . . . . . 99 GLU HB . 27755 1 906 . 1 1 99 99 GLU HG2 H 1 2.298 0.02 . 1 . . . . . 99 GLU HG . 27755 1 907 . 1 1 99 99 GLU HG3 H 1 2.298 0.02 . 1 . . . . . 99 GLU HG . 27755 1 908 . 1 1 99 99 GLU CA C 13 58.156 0.3 . 1 . . . . . 99 GLU CA . 27755 1 909 . 1 1 99 99 GLU CB C 13 29.884 0.3 . 1 . . . . . 99 GLU CB . 27755 1 910 . 1 1 99 99 GLU CG C 13 36.334 0.3 . 1 . . . . . 99 GLU CG . 27755 1 911 . 1 1 99 99 GLU N N 15 120.311 0.15 . 1 . . . . . 99 GLU N . 27755 1 912 . 1 1 100 100 ALA H H 1 7.772 0.02 . 1 . . . . . 100 ALA HN . 27755 1 913 . 1 1 100 100 ALA HA H 1 4.315 0.02 . 1 . . . . . 100 ALA HA . 27755 1 914 . 1 1 100 100 ALA HB1 H 1 1.486 0.02 . 1 . . . . . 100 ALA HB . 27755 1 915 . 1 1 100 100 ALA HB2 H 1 1.486 0.02 . 1 . . . . . 100 ALA HB . 27755 1 916 . 1 1 100 100 ALA HB3 H 1 1.486 0.02 . 1 . . . . . 100 ALA HB . 27755 1 917 . 1 1 100 100 ALA CA C 13 53.374 0.3 . 1 . . . . . 100 ALA CA . 27755 1 918 . 1 1 100 100 ALA CB C 13 19.447 0.3 . 1 . . . . . 100 ALA CB . 27755 1 919 . 1 1 100 100 ALA N N 15 120.8 0.15 . 1 . . . . . 100 ALA N . 27755 1 920 . 1 1 101 101 GLU H H 1 8.273 0.02 . 1 . . . . . 101 GLU HN . 27755 1 921 . 1 1 101 101 GLU HA H 1 4.319 0.02 . 1 . . . . . 101 GLU HA . 27755 1 922 . 1 1 101 101 GLU HB2 H 1 2 0.02 . 1 . . . . . 101 GLU HB . 27755 1 923 . 1 1 101 101 GLU HB3 H 1 2 0.02 . 1 . . . . . 101 GLU HB . 27755 1 924 . 1 1 101 101 GLU HG2 H 1 2.288 0.02 . 1 . . . . . 101 GLU HG . 27755 1 925 . 1 1 101 101 GLU HG3 H 1 2.288 0.02 . 1 . . . . . 101 GLU HG . 27755 1 926 . 1 1 101 101 GLU CA C 13 56.853 0.3 . 1 . . . . . 101 GLU CA . 27755 1 927 . 1 1 101 101 GLU CB C 13 30.25 0.3 . 1 . . . . . 101 GLU CB . 27755 1 928 . 1 1 101 101 GLU CG C 13 36.221 0.3 . 1 . . . . . 101 GLU CG . 27755 1 929 . 1 1 101 101 GLU N N 15 115.992 0.15 . 1 . . . . . 101 GLU N . 27755 1 930 . 1 1 102 102 GLY H H 1 8.228 0.02 . 1 . . . . . 102 GLY HN . 27755 1 931 . 1 1 102 102 GLY HA2 H 1 3.876 0.02 . 1 . . . . . 102 GLY HA . 27755 1 932 . 1 1 102 102 GLY HA3 H 1 3.876 0.02 . 1 . . . . . 102 GLY HA . 27755 1 933 . 1 1 102 102 GLY CA C 13 45.678 0.3 . 1 . . . . . 102 GLY CA . 27755 1 934 . 1 1 102 102 GLY N N 15 109.759 0.15 . 1 . . . . . 102 GLY N . 27755 1 935 . 1 1 103 103 VAL H H 1 7.842 0.02 . 1 . . . . . 103 VAL HN . 27755 1 936 . 1 1 103 103 VAL HA H 1 4.141 0.02 . 1 . . . . . 103 VAL HA . 27755 1 937 . 1 1 103 103 VAL HB H 1 2.002 0.02 . 1 . . . . . 103 VAL HB . 27755 1 938 . 1 1 103 103 VAL HG11 H 1 0.88 0.02 . 1 . . . . . 103 VAL HG . 27755 1 939 . 1 1 103 103 VAL HG12 H 1 0.88 0.02 . 1 . . . . . 103 VAL HG . 27755 1 940 . 1 1 103 103 VAL HG13 H 1 0.88 0.02 . 1 . . . . . 103 VAL HG . 27755 1 941 . 1 1 103 103 VAL HG21 H 1 0.88 0.02 . 1 . . . . . 103 VAL HG . 27755 1 942 . 1 1 103 103 VAL HG22 H 1 0.88 0.02 . 1 . . . . . 103 VAL HG . 27755 1 943 . 1 1 103 103 VAL HG23 H 1 0.88 0.02 . 1 . . . . . 103 VAL HG . 27755 1 944 . 1 1 103 103 VAL CA C 13 62.25 0.3 . 1 . . . . . 103 VAL CA . 27755 1 945 . 1 1 103 103 VAL CB C 13 33.2 0.3 . 1 . . . . . 103 VAL CB . 27755 1 946 . 1 1 103 103 VAL CG1 C 13 21.001 0.3 . 1 . . . . . 103 VAL CG# . 27755 1 947 . 1 1 103 103 VAL CG2 C 13 21.001 0.3 . 1 . . . . . 103 VAL CG# . 27755 1 948 . 1 1 103 103 VAL N N 15 119.366 0.15 . 1 . . . . . 103 VAL N . 27755 1 949 . 1 1 104 104 VAL H H 1 7.946 0.02 . 1 . . . . . 104 VAL HN . 27755 1 950 . 1 1 104 104 VAL HA H 1 4.312 0.02 . 1 . . . . . 104 VAL HA . 27755 1 951 . 1 1 104 104 VAL HB H 1 1.942 0.02 . 1 . . . . . 104 VAL HB . 27755 1 952 . 1 1 104 104 VAL HG11 H 1 0.824 0.02 . 1 . . . . . 104 VAL HG . 27755 1 953 . 1 1 104 104 VAL HG12 H 1 0.824 0.02 . 1 . . . . . 104 VAL HG . 27755 1 954 . 1 1 104 104 VAL HG13 H 1 0.824 0.02 . 1 . . . . . 104 VAL HG . 27755 1 955 . 1 1 104 104 VAL HG21 H 1 0.824 0.02 . 1 . . . . . 104 VAL HG . 27755 1 956 . 1 1 104 104 VAL HG22 H 1 0.824 0.02 . 1 . . . . . 104 VAL HG . 27755 1 957 . 1 1 104 104 VAL HG23 H 1 0.824 0.02 . 1 . . . . . 104 VAL HG . 27755 1 958 . 1 1 104 104 VAL CA C 13 61.207 0.3 . 1 . . . . . 104 VAL CA . 27755 1 959 . 1 1 104 104 VAL CB C 13 33.593 0.3 . 1 . . . . . 104 VAL CB . 27755 1 960 . 1 1 104 104 VAL CG1 C 13 20.968 0.3 . 1 . . . . . 104 VAL CG# . 27755 1 961 . 1 1 104 104 VAL CG2 C 13 20.968 0.3 . 1 . . . . . 104 VAL CG# . 27755 1 962 . 1 1 104 104 VAL N N 15 123.514 0.15 . 1 . . . . . 104 VAL N . 27755 1 963 . 1 1 105 105 THR H H 1 8.136 0.02 . 1 . . . . . 105 THR HN . 27755 1 964 . 1 1 105 105 THR HA H 1 4.577 0.02 . 1 . . . . . 105 THR HA . 27755 1 965 . 1 1 105 105 THR HG21 H 1 1.274 0.02 . 1 . . . . . 105 THR HG2 . 27755 1 966 . 1 1 105 105 THR HG22 H 1 1.274 0.02 . 1 . . . . . 105 THR HG2 . 27755 1 967 . 1 1 105 105 THR HG23 H 1 1.274 0.02 . 1 . . . . . 105 THR HG2 . 27755 1 968 . 1 1 105 105 THR CA C 13 60.559 0.3 . 1 . . . . . 105 THR CA . 27755 1 969 . 1 1 105 105 THR CB C 13 71.022 0.3 . 1 . . . . . 105 THR CB . 27755 1 970 . 1 1 105 105 THR CG2 C 13 21.836 0.3 . 1 . . . . . 105 THR CG2 . 27755 1 971 . 1 1 105 105 THR N N 15 114.049 0.15 . 1 . . . . . 105 THR N . 27755 1 972 . 1 1 106 106 SER H H 1 9.007 0.02 . 1 . . . . . 106 SER HN . 27755 1 973 . 1 1 106 106 SER HA H 1 3.96 0.02 . 1 . . . . . 106 SER HA . 27755 1 974 . 1 1 106 106 SER HB2 H 1 3.96 0.02 . 1 . . . . . 106 SER HB . 27755 1 975 . 1 1 106 106 SER HB3 H 1 3.96 0.02 . 1 . . . . . 106 SER HB . 27755 1 976 . 1 1 106 106 SER CB C 13 62.325 0.3 . 1 . . . . . 106 SER CB . 27755 1 977 . 1 1 106 106 SER N N 15 117.625 0.15 . 1 . . . . . 106 SER N . 27755 1 978 . 1 1 107 107 THR H H 1 7.908 0.02 . 1 . . . . . 107 THR HN . 27755 1 979 . 1 1 107 107 THR HA H 1 4.095 0.02 . 1 . . . . . 107 THR HA . 27755 1 980 . 1 1 107 107 THR HB H 1 4.095 0.02 . 1 . . . . . 107 THR HB . 27755 1 981 . 1 1 107 107 THR HG21 H 1 1.263 0.02 . 1 . . . . . 107 THR HG2 . 27755 1 982 . 1 1 107 107 THR HG22 H 1 1.263 0.02 . 1 . . . . . 107 THR HG2 . 27755 1 983 . 1 1 107 107 THR HG23 H 1 1.263 0.02 . 1 . . . . . 107 THR HG2 . 27755 1 984 . 1 1 107 107 THR CA C 13 65.601 0.3 . 1 . . . . . 107 THR CA . 27755 1 985 . 1 1 107 107 THR CB C 13 68.695 0.3 . 1 . . . . . 107 THR CB . 27755 1 986 . 1 1 107 107 THR CG2 C 13 21.877 0.3 . 1 . . . . . 107 THR CG2 . 27755 1 987 . 1 1 107 107 THR N N 15 116.841 0.15 . 1 . . . . . 107 THR N . 27755 1 988 . 1 1 108 108 GLU H H 1 7.814 0.02 . 1 . . . . . 108 GLU HN . 27755 1 989 . 1 1 108 108 GLU HA H 1 4.185 0.02 . 1 . . . . . 108 GLU HA . 27755 1 990 . 1 1 108 108 GLU HB2 H 1 2.151 0.02 . 1 . . . . . 108 GLU HB . 27755 1 991 . 1 1 108 108 GLU HB3 H 1 2.151 0.02 . 1 . . . . . 108 GLU HB . 27755 1 992 . 1 1 108 108 GLU HG2 H 1 2.709 0.02 . 1 . . . . . 108 GLU HG . 27755 1 993 . 1 1 108 108 GLU HG3 H 1 2.709 0.02 . 1 . . . . . 108 GLU HG . 27755 1 994 . 1 1 108 108 GLU CA C 13 59.039 0.3 . 1 . . . . . 108 GLU CA . 27755 1 995 . 1 1 108 108 GLU CB C 13 29.517 0.3 . 1 . . . . . 108 GLU CB . 27755 1 996 . 1 1 108 108 GLU CG C 13 36.399 0.3 . 1 . . . . . 108 GLU CG . 27755 1 997 . 1 1 108 108 GLU N N 15 122.814 0.15 . 1 . . . . . 108 GLU N . 27755 1 998 . 1 1 109 109 PHE H H 1 8.407 0.02 . 1 . . . . . 109 PHE HN . 27755 1 999 . 1 1 109 109 PHE HA H 1 4.539 0.02 . 1 . . . . . 109 PHE HA . 27755 1 1000 . 1 1 109 109 PHE HB2 H 1 3.244 0.02 . 1 . . . . . 109 PHE HB2 . 27755 1 1001 . 1 1 109 109 PHE HB3 H 1 2.945 0.02 . 1 . . . . . 109 PHE HB3 . 27755 1 1002 . 1 1 109 109 PHE CA C 13 60.005 0.3 . 1 . . . . . 109 PHE CA . 27755 1 1003 . 1 1 109 109 PHE CB C 13 39.199 0.3 . 1 . . . . . 109 PHE CB . 27755 1 1004 . 1 1 109 109 PHE N N 15 120.773 0.15 . 1 . . . . . 109 PHE N . 27755 1 1005 . 1 1 110 110 ALA H H 1 8.65 0.02 . 1 . . . . . 110 ALA HN . 27755 1 1006 . 1 1 110 110 ALA HB1 H 1 1.449 0.02 . 1 . . . . . 110 ALA HB . 27755 1 1007 . 1 1 110 110 ALA HB2 H 1 1.449 0.02 . 1 . . . . . 110 ALA HB . 27755 1 1008 . 1 1 110 110 ALA HB3 H 1 1.449 0.02 . 1 . . . . . 110 ALA HB . 27755 1 1009 . 1 1 110 110 ALA CA C 13 55.644 0.3 . 1 . . . . . 110 ALA CA . 27755 1 1010 . 1 1 110 110 ALA CB C 13 17.881 0.3 . 1 . . . . . 110 ALA CB . 27755 1 1011 . 1 1 110 110 ALA N N 15 120.482 0.15 . 1 . . . . . 110 ALA N . 27755 1 1012 . 1 1 111 111 SER H H 1 7.773 0.02 . 1 . . . . . 111 SER HN . 27755 1 1013 . 1 1 111 111 SER HA H 1 4.201 0.02 . 1 . . . . . 111 SER HA . 27755 1 1014 . 1 1 111 111 SER HB2 H 1 4.011 0.02 . 1 . . . . . 111 SER HB . 27755 1 1015 . 1 1 111 111 SER HB3 H 1 4.011 0.02 . 1 . . . . . 111 SER HB . 27755 1 1016 . 1 1 111 111 SER CA C 13 61.658 0.3 . 1 . . . . . 111 SER CA . 27755 1 1017 . 1 1 111 111 SER CB C 13 62.789 0.3 . 1 . . . . . 111 SER CB . 27755 1 1018 . 1 1 111 111 SER N N 15 113.399 0.15 . 1 . . . . . 111 SER N . 27755 1 1019 . 1 1 112 112 GLN H H 1 7.834 0.02 . 1 . . . . . 112 GLN HN . 27755 1 1020 . 1 1 112 112 GLN HA H 1 4.133 0.02 . 1 . . . . . 112 GLN HA . 27755 1 1021 . 1 1 112 112 GLN HB2 H 1 2.175 0.02 . 1 . . . . . 112 GLN HB . 27755 1 1022 . 1 1 112 112 GLN HB3 H 1 2.175 0.02 . 1 . . . . . 112 GLN HB . 27755 1 1023 . 1 1 112 112 GLN HG2 H 1 2.576 0.02 . 1 . . . . . 112 GLN HG . 27755 1 1024 . 1 1 112 112 GLN HG3 H 1 2.576 0.02 . 1 . . . . . 112 GLN HG . 27755 1 1025 . 1 1 112 112 GLN CA C 13 58.902 0.3 . 1 . . . . . 112 GLN CA . 27755 1 1026 . 1 1 112 112 GLN CB C 13 28.28 0.3 . 1 . . . . . 112 GLN CB . 27755 1 1027 . 1 1 112 112 GLN CG C 13 33.922 0.3 . 1 . . . . . 112 GLN CG . 27755 1 1028 . 1 1 112 112 GLN N N 15 121.302 0.15 . 1 . . . . . 112 GLN N . 27755 1 1029 . 1 1 113 113 LEU H H 1 8.151 0.02 . 1 . . . . . 113 LEU HN . 27755 1 1030 . 1 1 113 113 LEU HA H 1 4.009 0.02 . 1 . . . . . 113 LEU HA . 27755 1 1031 . 1 1 113 113 LEU HB2 H 1 2.043 0.02 . 1 . . . . . 113 LEU HB . 27755 1 1032 . 1 1 113 113 LEU HB3 H 1 2.043 0.02 . 1 . . . . . 113 LEU HB . 27755 1 1033 . 1 1 113 113 LEU HG H 1 1.253 0.02 . 1 . . . . . 113 LEU HG . 27755 1 1034 . 1 1 113 113 LEU HD11 H 1 0.696 0.02 . 1 . . . . . 113 LEU HD . 27755 1 1035 . 1 1 113 113 LEU HD12 H 1 0.696 0.02 . 1 . . . . . 113 LEU HD . 27755 1 1036 . 1 1 113 113 LEU HD13 H 1 0.696 0.02 . 1 . . . . . 113 LEU HD . 27755 1 1037 . 1 1 113 113 LEU HD21 H 1 0.696 0.02 . 1 . . . . . 113 LEU HD . 27755 1 1038 . 1 1 113 113 LEU HD22 H 1 0.696 0.02 . 1 . . . . . 113 LEU HD . 27755 1 1039 . 1 1 113 113 LEU HD23 H 1 0.696 0.02 . 1 . . . . . 113 LEU HD . 27755 1 1040 . 1 1 113 113 LEU CA C 13 57.828 0.3 . 1 . . . . . 113 LEU CA . 27755 1 1041 . 1 1 113 113 LEU CB C 13 42.279 0.3 . 1 . . . . . 113 LEU CB . 27755 1 1042 . 1 1 113 113 LEU CG C 13 26.083 0.3 . 1 . . . . . 113 LEU CG . 27755 1 1043 . 1 1 113 113 LEU CD1 C 13 22.778 0.3 . 1 . . . . . 113 LEU CD . 27755 1 1044 . 1 1 113 113 LEU CD2 C 13 22.778 0.3 . 1 . . . . . 113 LEU CD . 27755 1 1045 . 1 1 113 113 LEU N N 15 118.807 0.15 . 1 . . . . . 113 LEU N . 27755 1 1046 . 1 1 114 114 GLN H H 1 8.048 0.02 . 1 . . . . . 114 GLN HN . 27755 1 1047 . 1 1 114 114 GLN HA H 1 4.07 0.02 . 1 . . . . . 114 GLN HA . 27755 1 1048 . 1 1 114 114 GLN HB2 H 1 1.628 0.02 . 1 . . . . . 114 GLN HB . 27755 1 1049 . 1 1 114 114 GLN HB3 H 1 1.628 0.02 . 1 . . . . . 114 GLN HB . 27755 1 1050 . 1 1 114 114 GLN HG2 H 1 2.357 0.02 . 1 . . . . . 114 GLN HG . 27755 1 1051 . 1 1 114 114 GLN HG3 H 1 2.357 0.02 . 1 . . . . . 114 GLN HG . 27755 1 1052 . 1 1 114 114 GLN CA C 13 59.605 0.3 . 1 . . . . . 114 GLN CA . 27755 1 1053 . 1 1 114 114 GLN CB C 13 30.052 0.3 . 1 . . . . . 114 GLN CB . 27755 1 1054 . 1 1 114 114 GLN CG C 13 34.311 0.3 . 1 . . . . . 114 GLN CG . 27755 1 1055 . 1 1 114 114 GLN N N 15 118.255 0.15 . 1 . . . . . 114 GLN N . 27755 1 1056 . 1 1 115 115 ASN H H 1 8.026 0.02 . 1 . . . . . 115 ASN HN . 27755 1 1057 . 1 1 115 115 ASN HA H 1 4.399 0.02 . 1 . . . . . 115 ASN HA . 27755 1 1058 . 1 1 115 115 ASN HB2 H 1 2.76 0.02 . 1 . . . . . 115 ASN HB . 27755 1 1059 . 1 1 115 115 ASN HB3 H 1 2.76 0.02 . 1 . . . . . 115 ASN HB . 27755 1 1060 . 1 1 115 115 ASN CA C 13 55.86 0.3 . 1 . . . . . 115 ASN CA . 27755 1 1061 . 1 1 115 115 ASN CB C 13 39.022 0.3 . 1 . . . . . 115 ASN CB . 27755 1 1062 . 1 1 115 115 ASN N N 15 116.396 0.15 . 1 . . . . . 115 ASN N . 27755 1 1063 . 1 1 116 116 ARG H H 1 8.317 0.02 . 1 . . . . . 116 ARG HN . 27755 1 1064 . 1 1 116 116 ARG HA H 1 3.98 0.02 . 1 . . . . . 116 ARG HA . 27755 1 1065 . 1 1 116 116 ARG HD2 H 1 2.802 0.02 . 1 . . . . . 116 ARG HD . 27755 1 1066 . 1 1 116 116 ARG HD3 H 1 2.802 0.02 . 1 . . . . . 116 ARG HD . 27755 1 1067 . 1 1 116 116 ARG CA C 13 58.231 0.3 . 1 . . . . . 116 ARG CA . 27755 1 1068 . 1 1 116 116 ARG CB C 13 30.797 0.3 . 1 . . . . . 116 ARG CB . 27755 1 1069 . 1 1 116 116 ARG CD C 13 43.333 0.3 . 1 . . . . . 116 ARG CD . 27755 1 1070 . 1 1 116 116 ARG N N 15 117.675 0.15 . 1 . . . . . 116 ARG N . 27755 1 1071 . 1 1 117 117 TYR H H 1 7.519 0.02 . 1 . . . . . 117 TYR HN . 27755 1 1072 . 1 1 117 117 TYR HA H 1 4.851 0.02 . 1 . . . . . 117 TYR HA . 27755 1 1073 . 1 1 117 117 TYR HB2 H 1 3.408 0.02 . 1 . . . . . 117 TYR HB2 . 27755 1 1074 . 1 1 117 117 TYR HB3 H 1 2.724 0.02 . 1 . . . . . 117 TYR HB3 . 27755 1 1075 . 1 1 117 117 TYR CA C 13 57.287 0.3 . 1 . . . . . 117 TYR CA . 27755 1 1076 . 1 1 117 117 TYR CB C 13 40.114 0.3 . 1 . . . . . 117 TYR CB . 27755 1 1077 . 1 1 117 117 TYR N N 15 112.535 0.15 . 1 . . . . . 117 TYR N . 27755 1 1078 . 1 1 118 118 GLY H H 1 7.796 0.02 . 1 . . . . . 118 GLY HN . 27755 1 1079 . 1 1 118 118 GLY HA2 H 1 3.985 0.02 . 1 . . . . . 118 GLY HA . 27755 1 1080 . 1 1 118 118 GLY HA3 H 1 3.985 0.02 . 1 . . . . . 118 GLY HA . 27755 1 1081 . 1 1 118 118 GLY CA C 13 46.61 0.3 . 1 . . . . . 118 GLY CA . 27755 1 1082 . 1 1 118 118 GLY N N 15 108.78 0.15 . 1 . . . . . 118 GLY N . 27755 1 1083 . 1 1 119 119 ILE HA H 1 4.306 0.02 . 1 . . . . . 119 ILE HA . 27755 1 1084 . 1 1 119 119 ILE HB H 1 1.825 0.02 . 1 . . . . . 119 ILE HB . 27755 1 1085 . 1 1 119 119 ILE HG21 H 1 0.907 0.02 . 1 . . . . . 119 ILE HG2 . 27755 1 1086 . 1 1 119 119 ILE HG22 H 1 0.907 0.02 . 1 . . . . . 119 ILE HG2 . 27755 1 1087 . 1 1 119 119 ILE HG23 H 1 0.907 0.02 . 1 . . . . . 119 ILE HG2 . 27755 1 1088 . 1 1 119 119 ILE HD11 H 1 0.7 0.02 . 1 . . . . . 119 ILE HD1 . 27755 1 1089 . 1 1 119 119 ILE HD12 H 1 0.7 0.02 . 1 . . . . . 119 ILE HD1 . 27755 1 1090 . 1 1 119 119 ILE HD13 H 1 0.7 0.02 . 1 . . . . . 119 ILE HD1 . 27755 1 1091 . 1 1 119 119 ILE CA C 13 60.121 0.3 . 1 . . . . . 119 ILE CA . 27755 1 1092 . 1 1 119 119 ILE CB C 13 39.015 0.3 . 1 . . . . . 119 ILE CB . 27755 1 1093 . 1 1 119 119 ILE CG1 C 13 26.318 0.3 . 1 . . . . . 119 ILE CG1 . 27755 1 1094 . 1 1 119 119 ILE CG2 C 13 17.491 0.3 . 1 . . . . . 119 ILE CG2 . 27755 1 1095 . 1 1 119 119 ILE CD1 C 13 13.413 0.3 . 1 . . . . . 119 ILE CD1 . 27755 1 1096 . 1 1 120 120 ASP H H 1 8.376 0.02 . 1 . . . . . 120 ASP HN . 27755 1 1097 . 1 1 120 120 ASP HA H 1 4.489 0.02 . 1 . . . . . 120 ASP HA . 27755 1 1098 . 1 1 120 120 ASP HB2 H 1 2.907 0.02 . 1 . . . . . 120 ASP HB2 . 27755 1 1099 . 1 1 120 120 ASP HB3 H 1 2.668 0.02 . 1 . . . . . 120 ASP HB3 . 27755 1 1100 . 1 1 120 120 ASP CA C 13 54.168 0.3 . 1 . . . . . 120 ASP CA . 27755 1 1101 . 1 1 120 120 ASP CB C 13 42.505 0.3 . 1 . . . . . 120 ASP CB . 27755 1 1102 . 1 1 120 120 ASP N N 15 122.09 0.15 . 1 . . . . . 120 ASP N . 27755 1 1103 . 1 1 121 121 LYS H H 1 8.419 0.02 . 1 . . . . . 121 LYS HN . 27755 1 1104 . 1 1 121 121 LYS HA H 1 3.697 0.02 . 1 . . . . . 121 LYS HA . 27755 1 1105 . 1 1 121 121 LYS HB2 H 1 1.855 0.02 . 1 . . . . . 121 LYS HB . 27755 1 1106 . 1 1 121 121 LYS HB3 H 1 1.855 0.02 . 1 . . . . . 121 LYS HB . 27755 1 1107 . 1 1 121 121 LYS HD2 H 1 1.714 0.02 . 1 . . . . . 121 LYS HD . 27755 1 1108 . 1 1 121 121 LYS HD3 H 1 1.714 0.02 . 1 . . . . . 121 LYS HD . 27755 1 1109 . 1 1 121 121 LYS HE2 H 1 2.991 0.02 . 1 . . . . . 121 LYS HE . 27755 1 1110 . 1 1 121 121 LYS HE3 H 1 2.991 0.02 . 1 . . . . . 121 LYS HE . 27755 1 1111 . 1 1 121 121 LYS CA C 13 60.18 0.3 . 1 . . . . . 121 LYS CA . 27755 1 1112 . 1 1 121 121 LYS CB C 13 33.022 0.3 . 1 . . . . . 121 LYS CB . 27755 1 1113 . 1 1 121 121 LYS CG C 13 24.397 0.3 . 1 . . . . . 121 LYS CG . 27755 1 1114 . 1 1 121 121 LYS CD C 13 29.493 0.3 . 1 . . . . . 121 LYS CD . 27755 1 1115 . 1 1 121 121 LYS CE C 13 42.039 0.3 . 1 . . . . . 121 LYS CE . 27755 1 1116 . 1 1 121 121 LYS N N 15 121.379 0.15 . 1 . . . . . 121 LYS N . 27755 1 1117 . 1 1 122 122 GLN H H 1 8.287 0.02 . 1 . . . . . 122 GLN HN . 27755 1 1118 . 1 1 122 122 GLN HA H 1 4.123 0.02 . 1 . . . . . 122 GLN HA . 27755 1 1119 . 1 1 122 122 GLN HB2 H 1 2.149 0.02 . 1 . . . . . 122 GLN HB . 27755 1 1120 . 1 1 122 122 GLN HB3 H 1 2.149 0.02 . 1 . . . . . 122 GLN HB . 27755 1 1121 . 1 1 122 122 GLN HG2 H 1 2.41 0.02 . 1 . . . . . 122 GLN HG . 27755 1 1122 . 1 1 122 122 GLN HG3 H 1 2.41 0.02 . 1 . . . . . 122 GLN HG . 27755 1 1123 . 1 1 122 122 GLN CA C 13 59.26 0.3 . 1 . . . . . 122 GLN CA . 27755 1 1124 . 1 1 122 122 GLN CB C 13 28.351 0.3 . 1 . . . . . 122 GLN CB . 27755 1 1125 . 1 1 122 122 GLN CG C 13 34.462 0.3 . 1 . . . . . 122 GLN CG . 27755 1 1126 . 1 1 122 122 GLN N N 15 117.616 0.15 . 1 . . . . . 122 GLN N . 27755 1 1127 . 1 1 123 123 GLN H H 1 8.046 0.02 . 1 . . . . . 123 GLN HN . 27755 1 1128 . 1 1 123 123 GLN HA H 1 4.021 0.02 . 1 . . . . . 123 GLN HA . 27755 1 1129 . 1 1 123 123 GLN HB2 H 1 2.282 0.02 . 1 . . . . . 123 GLN HB . 27755 1 1130 . 1 1 123 123 GLN HB3 H 1 2.282 0.02 . 1 . . . . . 123 GLN HB . 27755 1 1131 . 1 1 123 123 GLN HG2 H 1 2.465 0.02 . 1 . . . . . 123 GLN HG . 27755 1 1132 . 1 1 123 123 GLN HG3 H 1 2.465 0.02 . 1 . . . . . 123 GLN HG . 27755 1 1133 . 1 1 123 123 GLN CA C 13 58.528 0.3 . 1 . . . . . 123 GLN CA . 27755 1 1134 . 1 1 123 123 GLN CB C 13 29.124 0.3 . 1 . . . . . 123 GLN CB . 27755 1 1135 . 1 1 123 123 GLN CG C 13 34.412 0.3 . 1 . . . . . 123 GLN CG . 27755 1 1136 . 1 1 123 123 GLN N N 15 119.234 0.15 . 1 . . . . . 123 GLN N . 27755 1 1137 . 1 1 124 124 ALA H H 1 8.627 0.02 . 1 . . . . . 124 ALA HN . 27755 1 1138 . 1 1 124 124 ALA HA H 1 3.859 0.02 . 1 . . . . . 124 ALA HA . 27755 1 1139 . 1 1 124 124 ALA HB1 H 1 1.499 0.02 . 1 . . . . . 124 ALA HB . 27755 1 1140 . 1 1 124 124 ALA HB2 H 1 1.499 0.02 . 1 . . . . . 124 ALA HB . 27755 1 1141 . 1 1 124 124 ALA HB3 H 1 1.499 0.02 . 1 . . . . . 124 ALA HB . 27755 1 1142 . 1 1 124 124 ALA CA C 13 55.45 0.3 . 1 . . . . . 124 ALA CA . 27755 1 1143 . 1 1 124 124 ALA CB C 13 18.948 0.3 . 1 . . . . . 124 ALA CB . 27755 1 1144 . 1 1 124 124 ALA N N 15 121.078 0.15 . 1 . . . . . 124 ALA N . 27755 1 1145 . 1 1 125 125 GLU H H 1 8.076 0.02 . 1 . . . . . 125 GLU HN . 27755 1 1146 . 1 1 125 125 GLU HA H 1 3.947 0.02 . 1 . . . . . 125 GLU HA . 27755 1 1147 . 1 1 125 125 GLU HB2 H 1 2.16 0.02 . 1 . . . . . 125 GLU HB . 27755 1 1148 . 1 1 125 125 GLU HB3 H 1 2.16 0.02 . 1 . . . . . 125 GLU HB . 27755 1 1149 . 1 1 125 125 GLU HG2 H 1 2.47 0.02 . 1 . . . . . 125 GLU HG . 27755 1 1150 . 1 1 125 125 GLU HG3 H 1 2.47 0.02 . 1 . . . . . 125 GLU HG . 27755 1 1151 . 1 1 125 125 GLU CA C 13 59.958 0.3 . 1 . . . . . 125 GLU CA . 27755 1 1152 . 1 1 125 125 GLU CB C 13 29.537 0.3 . 1 . . . . . 125 GLU CB . 27755 1 1153 . 1 1 125 125 GLU CG C 13 36.682 0.3 . 1 . . . . . 125 GLU CG . 27755 1 1154 . 1 1 125 125 GLU N N 15 117.272 0.15 . 1 . . . . . 125 GLU N . 27755 1 1155 . 1 1 126 126 ILE H H 1 7.593 0.02 . 1 . . . . . 126 ILE HN . 27755 1 1156 . 1 1 126 126 ILE HA H 1 3.887 0.02 . 1 . . . . . 126 ILE HA . 27755 1 1157 . 1 1 126 126 ILE HB H 1 1.781 0.02 . 1 . . . . . 126 ILE HB . 27755 1 1158 . 1 1 126 126 ILE HG12 H 1 1.439 0.02 . 1 . . . . . 126 ILE HG1 . 27755 1 1159 . 1 1 126 126 ILE HG13 H 1 1.439 0.02 . 1 . . . . . 126 ILE HG1 . 27755 1 1160 . 1 1 126 126 ILE HG21 H 1 0.919 0.02 . 1 . . . . . 126 ILE HG2 . 27755 1 1161 . 1 1 126 126 ILE HG22 H 1 0.919 0.02 . 1 . . . . . 126 ILE HG2 . 27755 1 1162 . 1 1 126 126 ILE HG23 H 1 0.919 0.02 . 1 . . . . . 126 ILE HG2 . 27755 1 1163 . 1 1 126 126 ILE HD11 H 1 0.919 0.02 . 1 . . . . . 126 ILE HD1 . 27755 1 1164 . 1 1 126 126 ILE HD12 H 1 0.919 0.02 . 1 . . . . . 126 ILE HD1 . 27755 1 1165 . 1 1 126 126 ILE HD13 H 1 0.919 0.02 . 1 . . . . . 126 ILE HD1 . 27755 1 1166 . 1 1 126 126 ILE CA C 13 64.724 0.3 . 1 . . . . . 126 ILE CA . 27755 1 1167 . 1 1 126 126 ILE CB C 13 38.244 0.3 . 1 . . . . . 126 ILE CB . 27755 1 1168 . 1 1 126 126 ILE CG2 C 13 17.559 0.3 . 1 . . . . . 126 ILE CG2 . 27755 1 1169 . 1 1 126 126 ILE CD1 C 13 13.429 0.3 . 1 . . . . . 126 ILE CD1 . 27755 1 1170 . 1 1 126 126 ILE N N 15 119.233 0.15 . 1 . . . . . 126 ILE N . 27755 1 1171 . 1 1 127 127 LEU H H 1 8.285 0.02 . 1 . . . . . 127 LEU HN . 27755 1 1172 . 1 1 127 127 LEU HA H 1 3.975 0.02 . 1 . . . . . 127 LEU HA . 27755 1 1173 . 1 1 127 127 LEU HB2 H 1 1.765 0.02 . 1 . . . . . 127 LEU HB . 27755 1 1174 . 1 1 127 127 LEU HB3 H 1 1.765 0.02 . 1 . . . . . 127 LEU HB . 27755 1 1175 . 1 1 127 127 LEU HG H 1 1.39 0.02 . 1 . . . . . 127 LEU HG . 27755 1 1176 . 1 1 127 127 LEU HD11 H 1 0.832 0.02 . 1 . . . . . 127 LEU HD . 27755 1 1177 . 1 1 127 127 LEU HD12 H 1 0.832 0.02 . 1 . . . . . 127 LEU HD . 27755 1 1178 . 1 1 127 127 LEU HD13 H 1 0.832 0.02 . 1 . . . . . 127 LEU HD . 27755 1 1179 . 1 1 127 127 LEU HD21 H 1 0.832 0.02 . 1 . . . . . 127 LEU HD . 27755 1 1180 . 1 1 127 127 LEU HD22 H 1 0.832 0.02 . 1 . . . . . 127 LEU HD . 27755 1 1181 . 1 1 127 127 LEU HD23 H 1 0.832 0.02 . 1 . . . . . 127 LEU HD . 27755 1 1182 . 1 1 127 127 LEU CA C 13 57.79 0.3 . 1 . . . . . 127 LEU CA . 27755 1 1183 . 1 1 127 127 LEU CB C 13 42.514 0.3 . 1 . . . . . 127 LEU CB . 27755 1 1184 . 1 1 127 127 LEU CG C 13 26.977 0.3 . 1 . . . . . 127 LEU CG . 27755 1 1185 . 1 1 127 127 LEU CD1 C 13 25.482 0.3 . 1 . . . . . 127 LEU CD1 . 27755 1 1186 . 1 1 127 127 LEU CD2 C 13 24.361 0.3 . 1 . . . . . 127 LEU CD2 . 27755 1 1187 . 1 1 127 127 LEU N N 15 120.487 0.15 . 1 . . . . . 127 LEU N . 27755 1 1188 . 1 1 128 128 ALA H H 1 8.489 0.02 . 1 . . . . . 128 ALA HN . 27755 1 1189 . 1 1 128 128 ALA HA H 1 4.075 0.02 . 1 . . . . . 128 ALA HA . 27755 1 1190 . 1 1 128 128 ALA HB1 H 1 1.624 0.02 . 1 . . . . . 128 ALA HB . 27755 1 1191 . 1 1 128 128 ALA HB2 H 1 1.624 0.02 . 1 . . . . . 128 ALA HB . 27755 1 1192 . 1 1 128 128 ALA HB3 H 1 1.624 0.02 . 1 . . . . . 128 ALA HB . 27755 1 1193 . 1 1 128 128 ALA CA C 13 55.671 0.3 . 1 . . . . . 128 ALA CA . 27755 1 1194 . 1 1 128 128 ALA CB C 13 19.797 0.3 . 1 . . . . . 128 ALA CB . 27755 1 1195 . 1 1 128 128 ALA N N 15 120.487 0.15 . 1 . . . . . 128 ALA N . 27755 1 1196 . 1 1 129 129 VAL H H 1 8.021 0.02 . 1 . . . . . 129 VAL HN . 27755 1 1197 . 1 1 129 129 VAL HA H 1 3.664 0.02 . 1 . . . . . 129 VAL HA . 27755 1 1198 . 1 1 129 129 VAL HB H 1 2.141 0.02 . 1 . . . . . 129 VAL HB . 27755 1 1199 . 1 1 129 129 VAL HG11 H 1 0.881 0.02 . 1 . . . . . 129 VAL HG . 27755 1 1200 . 1 1 129 129 VAL HG12 H 1 0.881 0.02 . 1 . . . . . 129 VAL HG . 27755 1 1201 . 1 1 129 129 VAL HG13 H 1 0.881 0.02 . 1 . . . . . 129 VAL HG . 27755 1 1202 . 1 1 129 129 VAL HG21 H 1 0.881 0.02 . 1 . . . . . 129 VAL HG . 27755 1 1203 . 1 1 129 129 VAL HG22 H 1 0.881 0.02 . 1 . . . . . 129 VAL HG . 27755 1 1204 . 1 1 129 129 VAL HG23 H 1 0.881 0.02 . 1 . . . . . 129 VAL HG . 27755 1 1205 . 1 1 129 129 VAL CA C 13 66.378 0.3 . 1 . . . . . 129 VAL CA . 27755 1 1206 . 1 1 129 129 VAL CB C 13 32.091 0.3 . 1 . . . . . 129 VAL CB . 27755 1 1207 . 1 1 129 129 VAL CG1 C 13 23.091 0.3 . 1 . . . . . 129 VAL CG# . 27755 1 1208 . 1 1 129 129 VAL CG2 C 13 23.091 0.3 . 1 . . . . . 129 VAL CG# . 27755 1 1209 . 1 1 129 129 VAL N N 15 116.382 0.15 . 1 . . . . . 129 VAL N . 27755 1 1210 . 1 1 130 130 ALA H H 1 7.935 0.02 . 1 . . . . . 130 ALA HN . 27755 1 1211 . 1 1 130 130 ALA HB1 H 1 1.458 0.02 . 1 . . . . . 130 ALA HB . 27755 1 1212 . 1 1 130 130 ALA HB2 H 1 1.458 0.02 . 1 . . . . . 130 ALA HB . 27755 1 1213 . 1 1 130 130 ALA HB3 H 1 1.458 0.02 . 1 . . . . . 130 ALA HB . 27755 1 1214 . 1 1 130 130 ALA CA C 13 54.739 0.3 . 1 . . . . . 130 ALA CA . 27755 1 1215 . 1 1 130 130 ALA CB C 13 18.42 0.3 . 1 . . . . . 130 ALA CB . 27755 1 1216 . 1 1 130 130 ALA N N 15 123.128 0.15 . 1 . . . . . 130 ALA N . 27755 1 1217 . 1 1 131 131 ALA H H 1 8.687 0.02 . 1 . . . . . 131 ALA HN . 27755 1 1218 . 1 1 131 131 ALA HB1 H 1 1.438 0.02 . 1 . . . . . 131 ALA HB . 27755 1 1219 . 1 1 131 131 ALA HB2 H 1 1.438 0.02 . 1 . . . . . 131 ALA HB . 27755 1 1220 . 1 1 131 131 ALA HB3 H 1 1.438 0.02 . 1 . . . . . 131 ALA HB . 27755 1 1221 . 1 1 131 131 ALA CA C 13 55.121 0.3 . 1 . . . . . 131 ALA CA . 27755 1 1222 . 1 1 131 131 ALA CB C 13 18.937 0.3 . 1 . . . . . 131 ALA CB . 27755 1 1223 . 1 1 131 131 ALA N N 15 120.15 0.15 . 1 . . . . . 131 ALA N . 27755 1 1224 . 1 1 132 132 LEU H H 1 8.225 0.02 . 1 . . . . . 132 LEU HN . 27755 1 1225 . 1 1 132 132 LEU HA H 1 4.022 0.02 . 1 . . . . . 132 LEU HA . 27755 1 1226 . 1 1 132 132 LEU HB2 H 1 1.811 0.02 . 1 . . . . . 132 LEU HB . 27755 1 1227 . 1 1 132 132 LEU HB3 H 1 1.811 0.02 . 1 . . . . . 132 LEU HB . 27755 1 1228 . 1 1 132 132 LEU HG H 1 1.613 0.02 . 1 . . . . . 132 LEU HG . 27755 1 1229 . 1 1 132 132 LEU HD11 H 1 0.738 0.02 . 1 . . . . . 132 LEU HD . 27755 1 1230 . 1 1 132 132 LEU HD12 H 1 0.738 0.02 . 1 . . . . . 132 LEU HD . 27755 1 1231 . 1 1 132 132 LEU HD13 H 1 0.738 0.02 . 1 . . . . . 132 LEU HD . 27755 1 1232 . 1 1 132 132 LEU HD21 H 1 0.738 0.02 . 1 . . . . . 132 LEU HD . 27755 1 1233 . 1 1 132 132 LEU HD22 H 1 0.738 0.02 . 1 . . . . . 132 LEU HD . 27755 1 1234 . 1 1 132 132 LEU HD23 H 1 0.738 0.02 . 1 . . . . . 132 LEU HD . 27755 1 1235 . 1 1 132 132 LEU CA C 13 57.163 0.3 . 1 . . . . . 132 LEU CA . 27755 1 1236 . 1 1 132 132 LEU CB C 13 41.242 0.3 . 1 . . . . . 132 LEU CB . 27755 1 1237 . 1 1 132 132 LEU CG C 13 27.822 0.3 . 1 . . . . . 132 LEU CG . 27755 1 1238 . 1 1 132 132 LEU CD1 C 13 24.867 0.3 . 1 . . . . . 132 LEU CD1 . 27755 1 1239 . 1 1 132 132 LEU CD2 C 13 23.733 0.3 . 1 . . . . . 132 LEU CD2 . 27755 1 1240 . 1 1 132 132 LEU N N 15 116.32 0.15 . 1 . . . . . 132 LEU N . 27755 1 1241 . 1 1 133 133 GLY H H 1 8.156 0.02 . 1 . . . . . 133 GLY HN . 27755 1 1242 . 1 1 133 133 GLY HA2 H 1 3.89 0.02 . 1 . . . . . 133 GLY HA . 27755 1 1243 . 1 1 133 133 GLY HA3 H 1 3.89 0.02 . 1 . . . . . 133 GLY HA . 27755 1 1244 . 1 1 133 133 GLY CA C 13 46.548 0.3 . 1 . . . . . 133 GLY CA . 27755 1 1245 . 1 1 133 133 GLY N N 15 107.567 0.15 . 1 . . . . . 133 GLY N . 27755 1 1246 . 1 1 134 134 ALA H H 1 7.668 0.02 . 1 . . . . . 134 ALA HN . 27755 1 1247 . 1 1 134 134 ALA HB1 H 1 1.4 0.02 . 1 . . . . . 134 ALA HB . 27755 1 1248 . 1 1 134 134 ALA HB2 H 1 1.4 0.02 . 1 . . . . . 134 ALA HB . 27755 1 1249 . 1 1 134 134 ALA HB3 H 1 1.4 0.02 . 1 . . . . . 134 ALA HB . 27755 1 1250 . 1 1 134 134 ALA CA C 13 52.792 0.3 . 1 . . . . . 134 ALA CA . 27755 1 1251 . 1 1 134 134 ALA CB C 13 19.117 0.3 . 1 . . . . . 134 ALA CB . 27755 1 1252 . 1 1 134 134 ALA N N 15 122.333 0.15 . 1 . . . . . 134 ALA N . 27755 1 1253 . 1 1 135 135 VAL H H 1 8.023 0.02 . 1 . . . . . 135 VAL HN . 27755 1 1254 . 1 1 135 135 VAL HA H 1 4.121 0.02 . 1 . . . . . 135 VAL HA . 27755 1 1255 . 1 1 135 135 VAL HB H 1 2.237 0.02 . 1 . . . . . 135 VAL HB . 27755 1 1256 . 1 1 135 135 VAL HG11 H 1 0.965 0.02 . 1 . . . . . 135 VAL HG . 27755 1 1257 . 1 1 135 135 VAL HG12 H 1 0.965 0.02 . 1 . . . . . 135 VAL HG . 27755 1 1258 . 1 1 135 135 VAL HG13 H 1 0.965 0.02 . 1 . . . . . 135 VAL HG . 27755 1 1259 . 1 1 135 135 VAL HG21 H 1 0.965 0.02 . 1 . . . . . 135 VAL HG . 27755 1 1260 . 1 1 135 135 VAL HG22 H 1 0.965 0.02 . 1 . . . . . 135 VAL HG . 27755 1 1261 . 1 1 135 135 VAL HG23 H 1 0.965 0.02 . 1 . . . . . 135 VAL HG . 27755 1 1262 . 1 1 135 135 VAL CA C 13 63.28 0.3 . 1 . . . . . 135 VAL CA . 27755 1 1263 . 1 1 135 135 VAL CB C 13 32.427 0.3 . 1 . . . . . 135 VAL CB . 27755 1 1264 . 1 1 135 135 VAL CG1 C 13 21.56 0.3 . 1 . . . . . 135 VAL CG# . 27755 1 1265 . 1 1 135 135 VAL CG2 C 13 21.56 0.3 . 1 . . . . . 135 VAL CG# . 27755 1 1266 . 1 1 135 135 VAL N N 15 118.745 0.15 . 1 . . . . . 135 VAL N . 27755 1 1267 . 1 1 136 136 THR H H 1 7.967 0.02 . 1 . . . . . 136 THR HN . 27755 1 1268 . 1 1 136 136 THR HA H 1 4.336 0.02 . 1 . . . . . 136 THR HA . 27755 1 1269 . 1 1 136 136 THR HB H 1 4.336 0.02 . 1 . . . . . 136 THR HB . 27755 1 1270 . 1 1 136 136 THR HG21 H 1 1.251 0.02 . 1 . . . . . 136 THR HG2 . 27755 1 1271 . 1 1 136 136 THR HG22 H 1 1.251 0.02 . 1 . . . . . 136 THR HG2 . 27755 1 1272 . 1 1 136 136 THR HG23 H 1 1.251 0.02 . 1 . . . . . 136 THR HG2 . 27755 1 1273 . 1 1 136 136 THR CA C 13 62.808 0.3 . 1 . . . . . 136 THR CA . 27755 1 1274 . 1 1 136 136 THR CB C 13 69.916 0.3 . 1 . . . . . 136 THR CB . 27755 1 1275 . 1 1 136 136 THR CG2 C 13 21.592 0.3 . 1 . . . . . 136 THR CG2 . 27755 1 1276 . 1 1 136 136 THR N N 15 113.285 0.15 . 1 . . . . . 136 THR N . 27755 1 1277 . 1 1 137 137 GLY H H 1 8.16 0.02 . 1 . . . . . 137 GLY HN . 27755 1 1278 . 1 1 137 137 GLY HA2 H 1 4.013 0.02 . 1 . . . . . 137 GLY HA . 27755 1 1279 . 1 1 137 137 GLY HA3 H 1 4.013 0.02 . 1 . . . . . 137 GLY HA . 27755 1 1280 . 1 1 137 137 GLY CA C 13 45.862 0.3 . 1 . . . . . 137 GLY CA . 27755 1 1281 . 1 1 137 137 GLY N N 15 110.436 0.15 . 1 . . . . . 137 GLY N . 27755 1 1282 . 1 1 138 138 GLY H H 1 8.205 0.02 . 1 . . . . . 138 GLY HN . 27755 1 1283 . 1 1 138 138 GLY HA2 H 1 3.968 0.02 . 1 . . . . . 138 GLY HA . 27755 1 1284 . 1 1 138 138 GLY HA3 H 1 3.968 0.02 . 1 . . . . . 138 GLY HA . 27755 1 1285 . 1 1 138 138 GLY CA C 13 45.532 0.3 . 1 . . . . . 138 GLY CA . 27755 1 1286 . 1 1 138 138 GLY N N 15 108.354 0.15 . 1 . . . . . 138 GLY N . 27755 1 1287 . 1 1 139 139 MET H H 1 8.184 0.02 . 1 . . . . . 139 MET HN . 27755 1 1288 . 1 1 139 139 MET HA H 1 4.478 0.02 . 1 . . . . . 139 MET HA . 27755 1 1289 . 1 1 139 139 MET HB2 H 1 2.131 0.02 . 1 . . . . . 139 MET HB . 27755 1 1290 . 1 1 139 139 MET HB3 H 1 2.131 0.02 . 1 . . . . . 139 MET HB . 27755 1 1291 . 1 1 139 139 MET HG2 H 1 2.576 0.02 . 1 . . . . . 139 MET HG . 27755 1 1292 . 1 1 139 139 MET HG3 H 1 2.576 0.02 . 1 . . . . . 139 MET HG . 27755 1 1293 . 1 1 139 139 MET CA C 13 55.809 0.3 . 1 . . . . . 139 MET CA . 27755 1 1294 . 1 1 139 139 MET CB C 13 32.858 0.3 . 1 . . . . . 139 MET CB . 27755 1 1295 . 1 1 139 139 MET CG C 13 32.195 0.3 . 1 . . . . . 139 MET CG . 27755 1 1296 . 1 1 139 139 MET N N 15 119.315 0.15 . 1 . . . . . 139 MET N . 27755 1 1297 . 1 1 140 140 GLY H H 1 8.414 0.02 . 1 . . . . . 140 GLY HN . 27755 1 1298 . 1 1 140 140 GLY HA2 H 1 4.192 0.02 . 1 . . . . . 140 GLY HA . 27755 1 1299 . 1 1 140 140 GLY HA3 H 1 4.192 0.02 . 1 . . . . . 140 GLY HA . 27755 1 1300 . 1 1 140 140 GLY CA C 13 45.435 0.3 . 1 . . . . . 140 GLY CA . 27755 1 1301 . 1 1 140 140 GLY N N 15 109.505 0.15 . 1 . . . . . 140 GLY N . 27755 1 1302 . 1 1 141 141 LYS H H 1 8.163 0.02 . 1 . . . . . 141 LYS HN . 27755 1 1303 . 1 1 141 141 LYS HA H 1 4.392 0.02 . 1 . . . . . 141 LYS HA . 27755 1 1304 . 1 1 141 141 LYS HB2 H 1 1.876 0.02 . 1 . . . . . 141 LYS HB . 27755 1 1305 . 1 1 141 141 LYS HB3 H 1 1.876 0.02 . 1 . . . . . 141 LYS HB . 27755 1 1306 . 1 1 141 141 LYS HG2 H 1 1.432 0.02 . 1 . . . . . 141 LYS HG . 27755 1 1307 . 1 1 141 141 LYS HG3 H 1 1.432 0.02 . 1 . . . . . 141 LYS HG . 27755 1 1308 . 1 1 141 141 LYS HD2 H 1 1.703 0.02 . 1 . . . . . 141 LYS HD . 27755 1 1309 . 1 1 141 141 LYS HD3 H 1 1.703 0.02 . 1 . . . . . 141 LYS HD . 27755 1 1310 . 1 1 141 141 LYS HE2 H 1 2.994 0.02 . 1 . . . . . 141 LYS HE . 27755 1 1311 . 1 1 141 141 LYS HE3 H 1 2.994 0.02 . 1 . . . . . 141 LYS HE . 27755 1 1312 . 1 1 141 141 LYS CA C 13 56.305 0.3 . 1 . . . . . 141 LYS CA . 27755 1 1313 . 1 1 141 141 LYS CB C 13 33.109 0.3 . 1 . . . . . 141 LYS CB . 27755 1 1314 . 1 1 141 141 LYS CG C 13 24.608 0.3 . 1 . . . . . 141 LYS CG . 27755 1 1315 . 1 1 141 141 LYS CD C 13 28.981 0.3 . 1 . . . . . 141 LYS CD . 27755 1 1316 . 1 1 141 141 LYS CE C 13 42.163 0.3 . 1 . . . . . 141 LYS CE . 27755 1 1317 . 1 1 141 141 LYS N N 15 120.62 0.15 . 1 . . . . . 141 LYS N . 27755 1 1318 . 1 1 142 142 SER H H 1 8.386 0.02 . 1 . . . . . 142 SER HN . 27755 1 1319 . 1 1 142 142 SER HA H 1 4.483 0.02 . 1 . . . . . 142 SER HA . 27755 1 1320 . 1 1 142 142 SER HB2 H 1 3.894 0.02 . 1 . . . . . 142 SER HB . 27755 1 1321 . 1 1 142 142 SER HB3 H 1 3.894 0.02 . 1 . . . . . 142 SER HB . 27755 1 1322 . 1 1 142 142 SER CA C 13 58.578 0.3 . 1 . . . . . 142 SER CA . 27755 1 1323 . 1 1 142 142 SER CB C 13 63.883 0.3 . 1 . . . . . 142 SER CB . 27755 1 1324 . 1 1 142 142 SER N N 15 116.757 0.15 . 1 . . . . . 142 SER N . 27755 1 1325 . 1 1 143 143 GLY H H 1 8.447 0.02 . 1 . . . . . 143 GLY HN . 27755 1 1326 . 1 1 143 143 GLY HA2 H 1 4.038 0.02 . 1 . . . . . 143 GLY HA . 27755 1 1327 . 1 1 143 143 GLY HA3 H 1 4.038 0.02 . 1 . . . . . 143 GLY HA . 27755 1 1328 . 1 1 143 143 GLY CA C 13 45.531 0.3 . 1 . . . . . 143 GLY CA . 27755 1 1329 . 1 1 143 143 GLY N N 15 110.782 0.15 . 1 . . . . . 143 GLY N . 27755 1 1330 . 1 1 144 144 THR H H 1 8.077 0.02 . 1 . . . . . 144 THR HN . 27755 1 1331 . 1 1 144 144 THR HA H 1 4.403 0.02 . 1 . . . . . 144 THR HA . 27755 1 1332 . 1 1 144 144 THR HB H 1 4.257 0.02 . 1 . . . . . 144 THR HB . 27755 1 1333 . 1 1 144 144 THR HG21 H 1 1.204 0.02 . 1 . . . . . 144 THR HG2 . 27755 1 1334 . 1 1 144 144 THR HG22 H 1 1.204 0.02 . 1 . . . . . 144 THR HG2 . 27755 1 1335 . 1 1 144 144 THR HG23 H 1 1.204 0.02 . 1 . . . . . 144 THR HG2 . 27755 1 1336 . 1 1 144 144 THR CA C 13 61.883 0.3 . 1 . . . . . 144 THR CA . 27755 1 1337 . 1 1 144 144 THR CB C 13 69.902 0.3 . 1 . . . . . 144 THR CB . 27755 1 1338 . 1 1 144 144 THR CG2 C 13 21.576 0.3 . 1 . . . . . 144 THR CG2 . 27755 1 1339 . 1 1 144 144 THR N N 15 113.267 0.15 . 1 . . . . . 144 THR N . 27755 1 1340 . 1 1 145 145 SER H H 1 8.38 0.02 . 1 . . . . . 145 SER HN . 27755 1 1341 . 1 1 145 145 SER HA H 1 4.563 0.02 . 1 . . . . . 145 SER HA . 27755 1 1342 . 1 1 145 145 SER HB2 H 1 3.898 0.02 . 1 . . . . . 145 SER HB . 27755 1 1343 . 1 1 145 145 SER HB3 H 1 3.898 0.02 . 1 . . . . . 145 SER HB . 27755 1 1344 . 1 1 145 145 SER CA C 13 58.439 0.3 . 1 . . . . . 145 SER CA . 27755 1 1345 . 1 1 145 145 SER CB C 13 63.891 0.3 . 1 . . . . . 145 SER CB . 27755 1 1346 . 1 1 145 145 SER N N 15 118.131 0.15 . 1 . . . . . 145 SER N . 27755 1 1347 . 1 1 146 146 THR H H 1 8.236 0.02 . 1 . . . . . 146 THR HN . 27755 1 1348 . 1 1 146 146 THR HA H 1 4.358 0.02 . 1 . . . . . 146 THR HA . 27755 1 1349 . 1 1 146 146 THR HB H 1 4.22 0.02 . 1 . . . . . 146 THR HB . 27755 1 1350 . 1 1 146 146 THR HG21 H 1 1.198 0.02 . 1 . . . . . 146 THR HG2 . 27755 1 1351 . 1 1 146 146 THR HG22 H 1 1.198 0.02 . 1 . . . . . 146 THR HG2 . 27755 1 1352 . 1 1 146 146 THR HG23 H 1 1.198 0.02 . 1 . . . . . 146 THR HG2 . 27755 1 1353 . 1 1 146 146 THR CA C 13 62.165 0.3 . 1 . . . . . 146 THR CA . 27755 1 1354 . 1 1 146 146 THR CB C 13 69.69 0.3 . 1 . . . . . 146 THR CB . 27755 1 1355 . 1 1 146 146 THR CG2 C 13 21.684 0.3 . 1 . . . . . 146 THR CG2 . 27755 1 1356 . 1 1 146 146 THR N N 15 116.471 0.15 . 1 . . . . . 146 THR N . 27755 1 1357 . 1 1 147 147 VAL H H 1 8.124 0.02 . 1 . . . . . 147 VAL HN . 27755 1 1358 . 1 1 147 147 VAL HA H 1 4.168 0.02 . 1 . . . . . 147 VAL HA . 27755 1 1359 . 1 1 147 147 VAL HB H 1 2.088 0.02 . 1 . . . . . 147 VAL HB . 27755 1 1360 . 1 1 147 147 VAL HG11 H 1 0.936 0.02 . 1 . . . . . 147 VAL HG . 27755 1 1361 . 1 1 147 147 VAL HG12 H 1 0.936 0.02 . 1 . . . . . 147 VAL HG . 27755 1 1362 . 1 1 147 147 VAL HG13 H 1 0.936 0.02 . 1 . . . . . 147 VAL HG . 27755 1 1363 . 1 1 147 147 VAL HG21 H 1 0.936 0.02 . 1 . . . . . 147 VAL HG . 27755 1 1364 . 1 1 147 147 VAL HG22 H 1 0.936 0.02 . 1 . . . . . 147 VAL HG . 27755 1 1365 . 1 1 147 147 VAL HG23 H 1 0.936 0.02 . 1 . . . . . 147 VAL HG . 27755 1 1366 . 1 1 147 147 VAL CA C 13 62.587 0.3 . 1 . . . . . 147 VAL CA . 27755 1 1367 . 1 1 147 147 VAL CB C 13 32.712 0.3 . 1 . . . . . 147 VAL CB . 27755 1 1368 . 1 1 147 147 VAL CG1 C 13 20.928 0.3 . 1 . . . . . 147 VAL CG# . 27755 1 1369 . 1 1 147 147 VAL CG2 C 13 20.928 0.3 . 1 . . . . . 147 VAL CG# . 27755 1 1370 . 1 1 147 147 VAL N N 15 122.334 0.15 . 1 . . . . . 147 VAL N . 27755 1 1371 . 1 1 148 148 THR H H 1 8.172 0.02 . 1 . . . . . 148 THR HN . 27755 1 1372 . 1 1 148 148 THR HA H 1 4.318 0.02 . 1 . . . . . 148 THR HA . 27755 1 1373 . 1 1 148 148 THR HB H 1 4.176 0.02 . 1 . . . . . 148 THR HB . 27755 1 1374 . 1 1 148 148 THR HG21 H 1 1.193 0.02 . 1 . . . . . 148 THR HG2 . 27755 1 1375 . 1 1 148 148 THR HG22 H 1 1.193 0.02 . 1 . . . . . 148 THR HG2 . 27755 1 1376 . 1 1 148 148 THR HG23 H 1 1.193 0.02 . 1 . . . . . 148 THR HG2 . 27755 1 1377 . 1 1 148 148 THR CA C 13 62.064 0.3 . 1 . . . . . 148 THR CA . 27755 1 1378 . 1 1 148 148 THR CB C 13 69.718 0.3 . 1 . . . . . 148 THR CB . 27755 1 1379 . 1 1 148 148 THR CG2 C 13 21.703 0.3 . 1 . . . . . 148 THR CG2 . 27755 1 1380 . 1 1 148 148 THR N N 15 118.238 0.15 . 1 . . . . . 148 THR N . 27755 1 1381 . 1 1 149 149 LYS H H 1 8.272 0.02 . 1 . . . . . 149 LYS HN . 27755 1 1382 . 1 1 149 149 LYS HA H 1 4.302 0.02 . 1 . . . . . 149 LYS HA . 27755 1 1383 . 1 1 149 149 LYS HB2 H 1 1.764 0.02 . 1 . . . . . 149 LYS HB . 27755 1 1384 . 1 1 149 149 LYS HB3 H 1 1.764 0.02 . 1 . . . . . 149 LYS HB . 27755 1 1385 . 1 1 149 149 LYS HG2 H 1 1.407 0.02 . 1 . . . . . 149 LYS HG . 27755 1 1386 . 1 1 149 149 LYS HG3 H 1 1.407 0.02 . 1 . . . . . 149 LYS HG . 27755 1 1387 . 1 1 149 149 LYS HD2 H 1 1.689 0.02 . 1 . . . . . 149 LYS HD . 27755 1 1388 . 1 1 149 149 LYS HD3 H 1 1.689 0.02 . 1 . . . . . 149 LYS HD . 27755 1 1389 . 1 1 149 149 LYS HE2 H 1 2.966 0.02 . 1 . . . . . 149 LYS HE . 27755 1 1390 . 1 1 149 149 LYS HE3 H 1 2.966 0.02 . 1 . . . . . 149 LYS HE . 27755 1 1391 . 1 1 149 149 LYS CA C 13 56.462 0.3 . 1 . . . . . 149 LYS CA . 27755 1 1392 . 1 1 149 149 LYS CB C 13 33.136 0.3 . 1 . . . . . 149 LYS CB . 27755 1 1393 . 1 1 149 149 LYS CG C 13 24.635 0.3 . 1 . . . . . 149 LYS CG . 27755 1 1394 . 1 1 149 149 LYS CD C 13 28.926 0.3 . 1 . . . . . 149 LYS CD . 27755 1 1395 . 1 1 149 149 LYS CE C 13 42.093 0.3 . 1 . . . . . 149 LYS CE . 27755 1 1396 . 1 1 149 149 LYS N N 15 123.708 0.15 . 1 . . . . . 149 LYS N . 27755 1 1397 . 1 1 150 150 ASN H H 1 8.427 0.02 . 1 . . . . . 150 ASN HN . 27755 1 1398 . 1 1 150 150 ASN HA H 1 4.659 0.02 . 1 . . . . . 150 ASN HA . 27755 1 1399 . 1 1 150 150 ASN HB2 H 1 2.778 0.02 . 1 . . . . . 150 ASN HB . 27755 1 1400 . 1 1 150 150 ASN HB3 H 1 2.778 0.02 . 1 . . . . . 150 ASN HB . 27755 1 1401 . 1 1 150 150 ASN CA C 13 53.43 0.3 . 1 . . . . . 150 ASN CA . 27755 1 1402 . 1 1 150 150 ASN CB C 13 38.745 0.3 . 1 . . . . . 150 ASN CB . 27755 1 1403 . 1 1 150 150 ASN N N 15 119.734 0.15 . 1 . . . . . 150 ASN N . 27755 1 stop_ save_