data_17603 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17603 _Entry.Title ; Solution Structure of a Minor and Transiently Formed State of a T4 Lysozyme Mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-26 _Entry.Accession_date 2011-04-26 _Entry.Last_release_date 2011-04-28 _Entry.Original_release_date 2011-04-28 _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 NMR' _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 'T4 Lysozyme L99A/G113A/R119P Structural model' _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 Guillaume Bouvignies . . . . 17603 2 Pramodh Vallurupalli . . . . 17603 3 'D. Flemming' Hansen . . . . 17603 4 Bruno Correia . . . . 17603 5 Oliver Lange . . . . 17603 6 Alaji Bah . . . . 17603 7 Robert Vernon . M. . . 17603 8 Frederick Dahlquist . W. . . 17603 9 David Baker . . . . 17603 10 Lewis Kay . E. . . 17603 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' . 17603 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'T4 Lysozyme L99A/G113A/R119P' . 17603 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17603 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 474 17603 '15N chemical shifts' 159 17603 '1H chemical shifts' 327 17603 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 . . 2012-03-08 2011-04-26 update BMRB 'update entry citation' 17603 1 . . 2011-06-01 2011-04-26 original author 'original release' 17603 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17604 T4_L99A 17603 PDB 2LC9 'BMRB Entry Tracking System' 17603 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17603 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21857680 _Citation.Full_citation . _Citation.Title ; Solution structure of a minor and transiently formed state of a T4 lysozyme mutant. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full Nature _Citation.Journal_volume 477 _Citation.Journal_issue 7362 _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 111 _Citation.Page_last 114 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Guillaume Bouvignies . . . . 17603 1 2 Pramodh Vallurupalli . . . . 17603 1 3 'D. Flemming' Hansen . . . . 17603 1 4 Bruno Correia . E. . . 17603 1 5 Oliver Lange . . . . 17603 1 6 Alaji Bah . . . . 17603 1 7 Robert Vernon . M. . . 17603 1 8 Frederick Dahlquist . W. . . 17603 1 9 David Baker . . . . 17603 1 10 Lewis Kay . E. . . 17603 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17603 _Assembly.ID 1 _Assembly.Name T4_L99A/G113A/R119P _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 T4_L99A/G113A/R119P 1 $T4_L99A_G113A_R119P A . yes native no no . . . 17603 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_T4_L99A_G113A_R119P _Entity.Sf_category entity _Entity.Sf_framecode T4_L99A_G113A_R119P _Entity.Entry_ID 17603 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name T4_L99A/G113A/R119P _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNIFEMLRIDEGLRLKIYKD TEGYYTIGIGHLLTKSPSLN AAKSELDKAIGRNTNGVITK DEAEKLFNQDVDAAVRGILR NAKLKPVYDSLDAVRRAAAI NMVFQMGETGVAAFTNSLPM LQQKRWDEAAVNLAKSRWYN QTPNRAKRVITTFRTGTWDA YKNL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Mutant of T4 Phage Lysozyme' _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 164 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18540.383 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17603 1 2 . ASN . 17603 1 3 . ILE . 17603 1 4 . PHE . 17603 1 5 . GLU . 17603 1 6 . MET . 17603 1 7 . LEU . 17603 1 8 . ARG . 17603 1 9 . ILE . 17603 1 10 . ASP . 17603 1 11 . GLU . 17603 1 12 . GLY . 17603 1 13 . LEU . 17603 1 14 . ARG . 17603 1 15 . LEU . 17603 1 16 . LYS . 17603 1 17 . ILE . 17603 1 18 . TYR . 17603 1 19 . LYS . 17603 1 20 . ASP . 17603 1 21 . THR . 17603 1 22 . GLU . 17603 1 23 . GLY . 17603 1 24 . TYR . 17603 1 25 . TYR . 17603 1 26 . THR . 17603 1 27 . ILE . 17603 1 28 . GLY . 17603 1 29 . ILE . 17603 1 30 . GLY . 17603 1 31 . HIS . 17603 1 32 . LEU . 17603 1 33 . LEU . 17603 1 34 . THR . 17603 1 35 . LYS . 17603 1 36 . SER . 17603 1 37 . PRO . 17603 1 38 . SER . 17603 1 39 . LEU . 17603 1 40 . ASN . 17603 1 41 . ALA . 17603 1 42 . ALA . 17603 1 43 . LYS . 17603 1 44 . SER . 17603 1 45 . GLU . 17603 1 46 . LEU . 17603 1 47 . ASP . 17603 1 48 . LYS . 17603 1 49 . ALA . 17603 1 50 . ILE . 17603 1 51 . GLY . 17603 1 52 . ARG . 17603 1 53 . ASN . 17603 1 54 . THR . 17603 1 55 . ASN . 17603 1 56 . GLY . 17603 1 57 . VAL . 17603 1 58 . ILE . 17603 1 59 . THR . 17603 1 60 . LYS . 17603 1 61 . ASP . 17603 1 62 . GLU . 17603 1 63 . ALA . 17603 1 64 . GLU . 17603 1 65 . LYS . 17603 1 66 . LEU . 17603 1 67 . PHE . 17603 1 68 . ASN . 17603 1 69 . GLN . 17603 1 70 . ASP . 17603 1 71 . VAL . 17603 1 72 . ASP . 17603 1 73 . ALA . 17603 1 74 . ALA . 17603 1 75 . VAL . 17603 1 76 . ARG . 17603 1 77 . GLY . 17603 1 78 . ILE . 17603 1 79 . LEU . 17603 1 80 . ARG . 17603 1 81 . ASN . 17603 1 82 . ALA . 17603 1 83 . LYS . 17603 1 84 . LEU . 17603 1 85 . LYS . 17603 1 86 . PRO . 17603 1 87 . VAL . 17603 1 88 . TYR . 17603 1 89 . ASP . 17603 1 90 . SER . 17603 1 91 . LEU . 17603 1 92 . ASP . 17603 1 93 . ALA . 17603 1 94 . VAL . 17603 1 95 . ARG . 17603 1 96 . ARG . 17603 1 97 . ALA . 17603 1 98 . ALA . 17603 1 99 . ALA . 17603 1 100 . ILE . 17603 1 101 . ASN . 17603 1 102 . MET . 17603 1 103 . VAL . 17603 1 104 . PHE . 17603 1 105 . GLN . 17603 1 106 . MET . 17603 1 107 . GLY . 17603 1 108 . GLU . 17603 1 109 . THR . 17603 1 110 . GLY . 17603 1 111 . VAL . 17603 1 112 . ALA . 17603 1 113 . ALA . 17603 1 114 . PHE . 17603 1 115 . THR . 17603 1 116 . ASN . 17603 1 117 . SER . 17603 1 118 . LEU . 17603 1 119 . PRO . 17603 1 120 . MET . 17603 1 121 . LEU . 17603 1 122 . GLN . 17603 1 123 . GLN . 17603 1 124 . LYS . 17603 1 125 . ARG . 17603 1 126 . TRP . 17603 1 127 . ASP . 17603 1 128 . GLU . 17603 1 129 . ALA . 17603 1 130 . ALA . 17603 1 131 . VAL . 17603 1 132 . ASN . 17603 1 133 . LEU . 17603 1 134 . ALA . 17603 1 135 . LYS . 17603 1 136 . SER . 17603 1 137 . ARG . 17603 1 138 . TRP . 17603 1 139 . TYR . 17603 1 140 . ASN . 17603 1 141 . GLN . 17603 1 142 . THR . 17603 1 143 . PRO . 17603 1 144 . ASN . 17603 1 145 . ARG . 17603 1 146 . ALA . 17603 1 147 . LYS . 17603 1 148 . ARG . 17603 1 149 . VAL . 17603 1 150 . ILE . 17603 1 151 . THR . 17603 1 152 . THR . 17603 1 153 . PHE . 17603 1 154 . ARG . 17603 1 155 . THR . 17603 1 156 . GLY . 17603 1 157 . THR . 17603 1 158 . TRP . 17603 1 159 . ASP . 17603 1 160 . ALA . 17603 1 161 . TYR . 17603 1 162 . LYS . 17603 1 163 . ASN . 17603 1 164 . LEU . 17603 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17603 1 . ASN 2 2 17603 1 . ILE 3 3 17603 1 . PHE 4 4 17603 1 . GLU 5 5 17603 1 . MET 6 6 17603 1 . LEU 7 7 17603 1 . ARG 8 8 17603 1 . ILE 9 9 17603 1 . ASP 10 10 17603 1 . GLU 11 11 17603 1 . GLY 12 12 17603 1 . LEU 13 13 17603 1 . ARG 14 14 17603 1 . LEU 15 15 17603 1 . LYS 16 16 17603 1 . ILE 17 17 17603 1 . TYR 18 18 17603 1 . LYS 19 19 17603 1 . ASP 20 20 17603 1 . THR 21 21 17603 1 . GLU 22 22 17603 1 . GLY 23 23 17603 1 . TYR 24 24 17603 1 . TYR 25 25 17603 1 . THR 26 26 17603 1 . ILE 27 27 17603 1 . GLY 28 28 17603 1 . ILE 29 29 17603 1 . GLY 30 30 17603 1 . HIS 31 31 17603 1 . LEU 32 32 17603 1 . LEU 33 33 17603 1 . THR 34 34 17603 1 . LYS 35 35 17603 1 . SER 36 36 17603 1 . PRO 37 37 17603 1 . SER 38 38 17603 1 . LEU 39 39 17603 1 . ASN 40 40 17603 1 . ALA 41 41 17603 1 . ALA 42 42 17603 1 . LYS 43 43 17603 1 . SER 44 44 17603 1 . GLU 45 45 17603 1 . LEU 46 46 17603 1 . ASP 47 47 17603 1 . LYS 48 48 17603 1 . ALA 49 49 17603 1 . ILE 50 50 17603 1 . GLY 51 51 17603 1 . ARG 52 52 17603 1 . ASN 53 53 17603 1 . THR 54 54 17603 1 . ASN 55 55 17603 1 . GLY 56 56 17603 1 . VAL 57 57 17603 1 . ILE 58 58 17603 1 . THR 59 59 17603 1 . LYS 60 60 17603 1 . ASP 61 61 17603 1 . GLU 62 62 17603 1 . ALA 63 63 17603 1 . GLU 64 64 17603 1 . LYS 65 65 17603 1 . LEU 66 66 17603 1 . PHE 67 67 17603 1 . ASN 68 68 17603 1 . GLN 69 69 17603 1 . ASP 70 70 17603 1 . VAL 71 71 17603 1 . ASP 72 72 17603 1 . ALA 73 73 17603 1 . ALA 74 74 17603 1 . VAL 75 75 17603 1 . ARG 76 76 17603 1 . GLY 77 77 17603 1 . ILE 78 78 17603 1 . LEU 79 79 17603 1 . ARG 80 80 17603 1 . ASN 81 81 17603 1 . ALA 82 82 17603 1 . LYS 83 83 17603 1 . LEU 84 84 17603 1 . LYS 85 85 17603 1 . PRO 86 86 17603 1 . VAL 87 87 17603 1 . TYR 88 88 17603 1 . ASP 89 89 17603 1 . SER 90 90 17603 1 . LEU 91 91 17603 1 . ASP 92 92 17603 1 . ALA 93 93 17603 1 . VAL 94 94 17603 1 . ARG 95 95 17603 1 . ARG 96 96 17603 1 . ALA 97 97 17603 1 . ALA 98 98 17603 1 . ALA 99 99 17603 1 . ILE 100 100 17603 1 . ASN 101 101 17603 1 . MET 102 102 17603 1 . VAL 103 103 17603 1 . PHE 104 104 17603 1 . GLN 105 105 17603 1 . MET 106 106 17603 1 . GLY 107 107 17603 1 . GLU 108 108 17603 1 . THR 109 109 17603 1 . GLY 110 110 17603 1 . VAL 111 111 17603 1 . ALA 112 112 17603 1 . ALA 113 113 17603 1 . PHE 114 114 17603 1 . THR 115 115 17603 1 . ASN 116 116 17603 1 . SER 117 117 17603 1 . LEU 118 118 17603 1 . PRO 119 119 17603 1 . MET 120 120 17603 1 . LEU 121 121 17603 1 . GLN 122 122 17603 1 . GLN 123 123 17603 1 . LYS 124 124 17603 1 . ARG 125 125 17603 1 . TRP 126 126 17603 1 . ASP 127 127 17603 1 . GLU 128 128 17603 1 . ALA 129 129 17603 1 . ALA 130 130 17603 1 . VAL 131 131 17603 1 . ASN 132 132 17603 1 . LEU 133 133 17603 1 . ALA 134 134 17603 1 . LYS 135 135 17603 1 . SER 136 136 17603 1 . ARG 137 137 17603 1 . TRP 138 138 17603 1 . TYR 139 139 17603 1 . ASN 140 140 17603 1 . GLN 141 141 17603 1 . THR 142 142 17603 1 . PRO 143 143 17603 1 . ASN 144 144 17603 1 . ARG 145 145 17603 1 . ALA 146 146 17603 1 . LYS 147 147 17603 1 . ARG 148 148 17603 1 . VAL 149 149 17603 1 . ILE 150 150 17603 1 . THR 151 151 17603 1 . THR 152 152 17603 1 . PHE 153 153 17603 1 . ARG 154 154 17603 1 . THR 155 155 17603 1 . GLY 156 156 17603 1 . THR 157 157 17603 1 . TRP 158 158 17603 1 . ASP 159 159 17603 1 . ALA 160 160 17603 1 . TYR 161 161 17603 1 . LYS 162 162 17603 1 . ASN 163 163 17603 1 . LEU 164 164 17603 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 17603 _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 $T4_L99A_G113A_R119P . . virus . 'T4 Phage' 'T4 Phage' . . Viruses . T4 Phage . . . . . . . . . . . . 'Mutant of T4 Phage Lysozyme' 17603 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 17603 _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 $T4_L99A_G113A_R119P . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET-29B . . . 17603 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17603 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'T4 L99A/G113A/R119P' '[U-100% 13C; U-100% 15N]' . . 1 $T4_L99A_G113A_R119P . . 1.5 . . mM . . . . 17603 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17603 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17603 1 4 NaCl 'natural abundance' . . . . . . 25 . . mM . . . . 17603 1 5 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 17603 1 6 NaN3 'natural abundance' . . . . . . 2 . . mM . . . . 17603 1 7 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17603 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 17603 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 85 . mM 17603 1 pH 5.5 . pH 17603 1 pressure 1 . atm 17603 1 temperature 307 . K 17603 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 17603 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 85 . mM 17603 2 pH 5.5 . pH 17603 2 pressure 1 . atm 17603 2 temperature 308 . K 17603 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17603 _Software.ID 1 _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' . . 17603 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 17603 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17603 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17603 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 17603 2 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 17603 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17603 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 17603 3 stop_ save_ save_CS-ROSETTA _Software.Sf_category software _Software.Sf_framecode CS-ROSETTA _Software.Entry_ID 17603 _Software.ID 4 _Software.Type . _Software.Name CS-Rosetta _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen, Robert Vernon, David Baker and Ad Bax' . . 17603 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 17603 4 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 17603 _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 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17603 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Cryo Probe' _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 17603 _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 . 500 . . . 17603 1 2 spectrometer_2 Varian INOVA . 600 'Cryo Probe' . . 17603 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 17603 _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 . . . . . . . . . . . . . . . . 17603 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17603 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17603 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17603 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17603 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17603 1 7 "JMOD C'Cg" no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17603 1 8 'JMDO NCg' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17603 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 17603 _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 water protons . . . . ppm 4.687 internal indirect 0.251449530 . . . . . 17603 1 H 1 water protons . . . . ppm 4.687 internal direct 1.0 . . . . . 17603 1 N 15 water protons . . . . ppm 4.687 internal indirect 0.101329118 . . . . . 17603 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17603 _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 1 '2D 1H-15N HSQC' . . . 17603 1 2 '3D HNCA' . . . 17603 1 3 '3D HNCACB' . . . 17603 1 4 '3D CBCA(CO)NH' . . . 17603 1 5 '3D HNCO' . . . 17603 1 6 '3D HN(CA)CO' . . . 17603 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 MET HA H 1 3.749 0.001 . 1 . . . . A 1 MET HA . 17603 1 2 . 1 1 1 1 MET C C 13 170.270 0.01 . 1 . . . . A 1 MET C . 17603 1 3 . 1 1 1 1 MET CA C 13 53.689 0.01 . 1 . . . . A 1 MET CA . 17603 1 4 . 1 1 1 1 MET CB C 13 30.544 0.01 . 1 . . . . A 1 MET CB . 17603 1 5 . 1 1 2 2 ASN H H 1 6.923 0.001 . 1 . . . . A 2 ASN H . 17603 1 6 . 1 1 2 2 ASN HA H 1 4.467 0.001 . 1 . . . . A 2 ASN HA . 17603 1 7 . 1 1 2 2 ASN C C 13 174.640 0.01 . 1 . . . . A 2 ASN C . 17603 1 8 . 1 1 2 2 ASN CA C 13 51.914 0.01 . 1 . . . . A 2 ASN CA . 17603 1 9 . 1 1 2 2 ASN CB C 13 40.244 0.01 . 1 . . . . A 2 ASN CB . 17603 1 10 . 1 1 2 2 ASN N N 15 115.826 0.01 . 1 . . . . A 2 ASN N . 17603 1 11 . 1 1 3 3 ILE H H 1 8.815 0.001 . 1 . . . . A 3 ILE H . 17603 1 12 . 1 1 3 3 ILE HA H 1 4.077 0.001 . 1 . . . . A 3 ILE HA . 17603 1 13 . 1 1 3 3 ILE C C 13 174.099 0.01 . 1 . . . . A 3 ILE C . 17603 1 14 . 1 1 3 3 ILE CA C 13 61.631 0.01 . 1 . . . . A 3 ILE CA . 17603 1 15 . 1 1 3 3 ILE CB C 13 38.192 0.01 . 1 . . . . A 3 ILE CB . 17603 1 16 . 1 1 3 3 ILE N N 15 116.880 0.01 . 1 . . . . A 3 ILE N . 17603 1 17 . 1 1 4 4 PHE H H 1 7.336 0.001 . 1 . . . . A 4 PHE H . 17603 1 18 . 1 1 4 4 PHE HA H 1 4.029 0.001 . 1 . . . . A 4 PHE HA . 17603 1 19 . 1 1 4 4 PHE C C 13 177.093 0.01 . 1 . . . . A 4 PHE C . 17603 1 20 . 1 1 4 4 PHE CA C 13 61.008 0.01 . 1 . . . . A 4 PHE CA . 17603 1 21 . 1 1 4 4 PHE CB C 13 38.160 0.01 . 1 . . . . A 4 PHE CB . 17603 1 22 . 1 1 4 4 PHE N N 15 121.992 0.01 . 1 . . . . A 4 PHE N . 17603 1 23 . 1 1 5 5 GLU H H 1 7.892 0.001 . 1 . . . . A 5 GLU H . 17603 1 24 . 1 1 5 5 GLU HA H 1 3.781 0.001 . 1 . . . . A 5 GLU HA . 17603 1 25 . 1 1 5 5 GLU C C 13 178.340 0.01 . 1 . . . . A 5 GLU C . 17603 1 26 . 1 1 5 5 GLU CA C 13 58.649 0.01 . 1 . . . . A 5 GLU CA . 17603 1 27 . 1 1 5 5 GLU CB C 13 30.356 0.01 . 1 . . . . A 5 GLU CB . 17603 1 28 . 1 1 5 5 GLU N N 15 118.284 0.01 . 1 . . . . A 5 GLU N . 17603 1 29 . 1 1 6 6 MET H H 1 7.946 0.001 . 1 . . . . A 6 MET H . 17603 1 30 . 1 1 6 6 MET HA H 1 3.314 0.001 . 1 . . . . A 6 MET HA . 17603 1 31 . 1 1 6 6 MET C C 13 177.078 0.01 . 1 . . . . A 6 MET C . 17603 1 32 . 1 1 6 6 MET CA C 13 58.988 0.01 . 1 . . . . A 6 MET CA . 17603 1 33 . 1 1 6 6 MET CB C 13 34.498 0.01 . 1 . . . . A 6 MET CB . 17603 1 34 . 1 1 6 6 MET N N 15 118.546 0.01 . 1 . . . . A 6 MET N . 17603 1 35 . 1 1 7 7 LEU H H 1 7.969 0.001 . 1 . . . . A 7 LEU H . 17603 1 36 . 1 1 7 7 LEU HA H 1 3.968 0.001 . 1 . . . . A 7 LEU HA . 17603 1 37 . 1 1 7 7 LEU C C 13 178.579 0.01 . 1 . . . . A 7 LEU C . 17603 1 38 . 1 1 7 7 LEU CA C 13 57.605 0.01 . 1 . . . . A 7 LEU CA . 17603 1 39 . 1 1 7 7 LEU CB C 13 41.894 0.01 . 1 . . . . A 7 LEU CB . 17603 1 40 . 1 1 7 7 LEU N N 15 116.516 0.01 . 1 . . . . A 7 LEU N . 17603 1 41 . 1 1 8 8 ARG H H 1 8.161 0.001 . 1 . . . . A 8 ARG H . 17603 1 42 . 1 1 8 8 ARG HA H 1 3.559 0.001 . 1 . . . . A 8 ARG HA . 17603 1 43 . 1 1 8 8 ARG C C 13 180.018 0.01 . 1 . . . . A 8 ARG C . 17603 1 44 . 1 1 8 8 ARG CA C 13 60.246 0.01 . 1 . . . . A 8 ARG CA . 17603 1 45 . 1 1 8 8 ARG CB C 13 29.518 0.01 . 1 . . . . A 8 ARG CB . 17603 1 46 . 1 1 8 8 ARG N N 15 120.793 0.01 . 1 . . . . A 8 ARG N . 17603 1 47 . 1 1 9 9 ILE H H 1 7.628 0.001 . 1 . . . . A 9 ILE H . 17603 1 48 . 1 1 9 9 ILE HA H 1 3.573 0.001 . 1 . . . . A 9 ILE HA . 17603 1 49 . 1 1 9 9 ILE C C 13 177.878 0.01 . 1 . . . . A 9 ILE C . 17603 1 50 . 1 1 9 9 ILE CA C 13 65.276 0.01 . 1 . . . . A 9 ILE CA . 17603 1 51 . 1 1 9 9 ILE CB C 13 38.273 0.01 . 1 . . . . A 9 ILE CB . 17603 1 52 . 1 1 9 9 ILE N N 15 120.805 0.01 . 1 . . . . A 9 ILE N . 17603 1 53 . 1 1 10 10 ASP H H 1 7.999 0.001 . 1 . . . . A 10 ASP H . 17603 1 54 . 1 1 10 10 ASP HA H 1 4.406 0.001 . 1 . . . . A 10 ASP HA . 17603 1 55 . 1 1 10 10 ASP C C 13 178.041 0.01 . 1 . . . . A 10 ASP C . 17603 1 56 . 1 1 10 10 ASP CA C 13 58.294 0.01 . 1 . . . . A 10 ASP CA . 17603 1 57 . 1 1 10 10 ASP CB C 13 41.871 0.01 . 1 . . . . A 10 ASP CB . 17603 1 58 . 1 1 10 10 ASP N N 15 118.172 0.01 . 1 . . . . A 10 ASP N . 17603 1 59 . 1 1 11 11 GLU H H 1 8.855 0.001 . 1 . . . . A 11 GLU H . 17603 1 60 . 1 1 11 11 GLU HA H 1 4.641 0.001 . 1 . . . . A 11 GLU HA . 17603 1 61 . 1 1 11 11 GLU C C 13 178.197 0.01 . 1 . . . . A 11 GLU C . 17603 1 62 . 1 1 11 11 GLU CA C 13 56.104 0.01 . 1 . . . . A 11 GLU CA . 17603 1 63 . 1 1 11 11 GLU CB C 13 31.095 0.01 . 1 . . . . A 11 GLU CB . 17603 1 64 . 1 1 11 11 GLU N N 15 115.562 0.01 . 1 . . . . A 11 GLU N . 17603 1 65 . 1 1 12 12 GLY H H 1 7.550 0.001 . 1 . . . . A 12 GLY H . 17603 1 66 . 1 1 12 12 GLY HA2 H 1 3.995 0.001 . 2 . . . . A 12 GLY HA2 . 17603 1 67 . 1 1 12 12 GLY HA3 H 1 3.734 0.001 . 2 . . . . A 12 GLY HA3 . 17603 1 68 . 1 1 12 12 GLY C C 13 170.049 0.01 . 1 . . . . A 12 GLY C . 17603 1 69 . 1 1 12 12 GLY CA C 13 44.694 0.01 . 1 . . . . A 12 GLY CA . 17603 1 70 . 1 1 12 12 GLY N N 15 109.971 0.01 . 1 . . . . A 12 GLY N . 17603 1 71 . 1 1 13 13 LEU H H 1 7.755 0.001 . 1 . . . . A 13 LEU H . 17603 1 72 . 1 1 13 13 LEU HA H 1 4.458 0.001 . 1 . . . . A 13 LEU HA . 17603 1 73 . 1 1 13 13 LEU C C 13 175.566 0.01 . 1 . . . . A 13 LEU C . 17603 1 74 . 1 1 13 13 LEU CA C 13 54.572 0.01 . 1 . . . . A 13 LEU CA . 17603 1 75 . 1 1 13 13 LEU CB C 13 43.867 0.01 . 1 . . . . A 13 LEU CB . 17603 1 76 . 1 1 13 13 LEU N N 15 117.547 0.01 . 1 . . . . A 13 LEU N . 17603 1 77 . 1 1 14 14 ARG H H 1 8.214 0.001 . 1 . . . . A 14 ARG H . 17603 1 78 . 1 1 14 14 ARG HA H 1 4.685 0.001 . 1 . . . . A 14 ARG HA . 17603 1 79 . 1 1 14 14 ARG C C 13 175.979 0.01 . 1 . . . . A 14 ARG C . 17603 1 80 . 1 1 14 14 ARG CA C 13 54.263 0.01 . 1 . . . . A 14 ARG CA . 17603 1 81 . 1 1 14 14 ARG CB C 13 32.818 0.01 . 1 . . . . A 14 ARG CB . 17603 1 82 . 1 1 14 14 ARG N N 15 126.722 0.01 . 1 . . . . A 14 ARG N . 17603 1 83 . 1 1 15 15 LEU H H 1 8.823 0.001 . 1 . . . . A 15 LEU H . 17603 1 84 . 1 1 15 15 LEU HA H 1 4.345 0.001 . 1 . . . . A 15 LEU HA . 17603 1 85 . 1 1 15 15 LEU C C 13 173.808 0.01 . 1 . . . . A 15 LEU C . 17603 1 86 . 1 1 15 15 LEU CA C 13 54.773 0.01 . 1 . . . . A 15 LEU CA . 17603 1 87 . 1 1 15 15 LEU CB C 13 39.772 0.01 . 1 . . . . A 15 LEU CB . 17603 1 88 . 1 1 15 15 LEU N N 15 123.112 0.01 . 1 . . . . A 15 LEU N . 17603 1 89 . 1 1 16 16 LYS H H 1 7.124 0.001 . 1 . . . . A 16 LYS H . 17603 1 90 . 1 1 16 16 LYS HA H 1 5.356 0.001 . 1 . . . . A 16 LYS HA . 17603 1 91 . 1 1 16 16 LYS C C 13 176.072 0.01 . 1 . . . . A 16 LYS C . 17603 1 92 . 1 1 16 16 LYS CA C 13 53.873 0.01 . 1 . . . . A 16 LYS CA . 17603 1 93 . 1 1 16 16 LYS CB C 13 35.961 0.01 . 1 . . . . A 16 LYS CB . 17603 1 94 . 1 1 16 16 LYS N N 15 115.048 0.01 . 1 . . . . A 16 LYS N . 17603 1 95 . 1 1 17 17 ILE H H 1 7.555 0.001 . 1 . . . . A 17 ILE H . 17603 1 96 . 1 1 17 17 ILE HA H 1 4.108 0.001 . 1 . . . . A 17 ILE HA . 17603 1 97 . 1 1 17 17 ILE C C 13 174.826 0.01 . 1 . . . . A 17 ILE C . 17603 1 98 . 1 1 17 17 ILE CA C 13 63.946 0.01 . 1 . . . . A 17 ILE CA . 17603 1 99 . 1 1 17 17 ILE CB C 13 38.482 0.01 . 1 . . . . A 17 ILE CB . 17603 1 100 . 1 1 17 17 ILE N N 15 120.916 0.01 . 1 . . . . A 17 ILE N . 17603 1 101 . 1 1 18 18 TYR H H 1 9.340 0.001 . 1 . . . . A 18 TYR H . 17603 1 102 . 1 1 18 18 TYR HA H 1 5.076 0.001 . 1 . . . . A 18 TYR HA . 17603 1 103 . 1 1 18 18 TYR C C 13 172.698 0.01 . 1 . . . . A 18 TYR C . 17603 1 104 . 1 1 18 18 TYR CA C 13 55.606 0.01 . 1 . . . . A 18 TYR CA . 17603 1 105 . 1 1 18 18 TYR CB C 13 41.514 0.01 . 1 . . . . A 18 TYR CB . 17603 1 106 . 1 1 18 18 TYR N N 15 128.021 0.01 . 1 . . . . A 18 TYR N . 17603 1 107 . 1 1 19 19 LYS H H 1 8.260 0.001 . 1 . . . . A 19 LYS H . 17603 1 108 . 1 1 19 19 LYS HA H 1 4.533 0.001 . 1 . . . . A 19 LYS HA . 17603 1 109 . 1 1 19 19 LYS C C 13 175.823 0.01 . 1 . . . . A 19 LYS C . 17603 1 110 . 1 1 19 19 LYS CA C 13 55.106 0.01 . 1 . . . . A 19 LYS CA . 17603 1 111 . 1 1 19 19 LYS CB C 13 34.220 0.01 . 1 . . . . A 19 LYS CB . 17603 1 112 . 1 1 19 19 LYS N N 15 122.578 0.01 . 1 . . . . A 19 LYS N . 17603 1 113 . 1 1 20 20 ASP H H 1 8.517 0.001 . 1 . . . . A 20 ASP H . 17603 1 114 . 1 1 20 20 ASP HA H 1 4.591 0.001 . 1 . . . . A 20 ASP HA . 17603 1 115 . 1 1 20 20 ASP C C 13 178.065 0.01 . 1 . . . . A 20 ASP C . 17603 1 116 . 1 1 20 20 ASP CA C 13 52.784 0.01 . 1 . . . . A 20 ASP CA . 17603 1 117 . 1 1 20 20 ASP CB C 13 40.920 0.01 . 1 . . . . A 20 ASP CB . 17603 1 118 . 1 1 20 20 ASP N N 15 125.695 0.01 . 1 . . . . A 20 ASP N . 17603 1 119 . 1 1 21 21 THR H H 1 7.953 0.001 . 1 . . . . A 21 THR H . 17603 1 120 . 1 1 21 21 THR HA H 1 3.982 0.001 . 1 . . . . A 21 THR HA . 17603 1 121 . 1 1 21 21 THR C C 13 175.854 0.01 . 1 . . . . A 21 THR C . 17603 1 122 . 1 1 21 21 THR CA C 13 65.025 0.01 . 1 . . . . A 21 THR CA . 17603 1 123 . 1 1 21 21 THR CB C 13 68.796 0.01 . 1 . . . . A 21 THR CB . 17603 1 124 . 1 1 21 21 THR N N 15 110.206 0.01 . 1 . . . . A 21 THR N . 17603 1 125 . 1 1 22 22 GLU H H 1 8.013 0.001 . 1 . . . . A 22 GLU H . 17603 1 126 . 1 1 22 22 GLU HA H 1 4.173 0.001 . 1 . . . . A 22 GLU HA . 17603 1 127 . 1 1 22 22 GLU C C 13 175.597 0.01 . 1 . . . . A 22 GLU C . 17603 1 128 . 1 1 22 22 GLU CA C 13 56.298 0.01 . 1 . . . . A 22 GLU CA . 17603 1 129 . 1 1 22 22 GLU CB C 13 30.353 0.01 . 1 . . . . A 22 GLU CB . 17603 1 130 . 1 1 22 22 GLU N N 15 120.359 0.01 . 1 . . . . A 22 GLU N . 17603 1 131 . 1 1 23 23 GLY H H 1 7.841 0.001 . 1 . . . . A 23 GLY H . 17603 1 132 . 1 1 23 23 GLY HA2 H 1 3.291 0.001 . 2 . . . . A 23 GLY HA2 . 17603 1 133 . 1 1 23 23 GLY HA3 H 1 3.991 0.001 . 2 . . . . A 23 GLY HA3 . 17603 1 134 . 1 1 23 23 GLY C C 13 173.526 0.01 . 1 . . . . A 23 GLY C . 17603 1 135 . 1 1 23 23 GLY CA C 13 44.966 0.01 . 1 . . . . A 23 GLY CA . 17603 1 136 . 1 1 23 23 GLY N N 15 106.729 0.01 . 1 . . . . A 23 GLY N . 17603 1 137 . 1 1 24 24 TYR H H 1 8.116 0.001 . 1 . . . . A 24 TYR H . 17603 1 138 . 1 1 24 24 TYR HA H 1 4.875 0.001 . 1 . . . . A 24 TYR HA . 17603 1 139 . 1 1 24 24 TYR C C 13 177.535 0.01 . 1 . . . . A 24 TYR C . 17603 1 140 . 1 1 24 24 TYR CA C 13 55.243 0.01 . 1 . . . . A 24 TYR CA . 17603 1 141 . 1 1 24 24 TYR CB C 13 38.301 0.01 . 1 . . . . A 24 TYR CB . 17603 1 142 . 1 1 24 24 TYR N N 15 120.577 0.01 . 1 . . . . A 24 TYR N . 17603 1 143 . 1 1 25 25 TYR H H 1 8.679 0.001 . 1 . . . . A 25 TYR H . 17603 1 144 . 1 1 25 25 TYR HA H 1 4.935 0.001 . 1 . . . . A 25 TYR HA . 17603 1 145 . 1 1 25 25 TYR C C 13 175.310 0.01 . 1 . . . . A 25 TYR C . 17603 1 146 . 1 1 25 25 TYR CA C 13 59.794 0.01 . 1 . . . . A 25 TYR CA . 17603 1 147 . 1 1 25 25 TYR CB C 13 39.893 0.01 . 1 . . . . A 25 TYR CB . 17603 1 148 . 1 1 25 25 TYR N N 15 122.385 0.01 . 1 . . . . A 25 TYR N . 17603 1 149 . 1 1 26 26 THR H H 1 9.362 0.001 . 1 . . . . A 26 THR H . 17603 1 150 . 1 1 26 26 THR HA H 1 5.179 0.001 . 1 . . . . A 26 THR HA . 17603 1 151 . 1 1 26 26 THR C C 13 180.259 0.01 . 1 . . . . A 26 THR C . 17603 1 152 . 1 1 26 26 THR CA C 13 61.015 0.01 . 1 . . . . A 26 THR CA . 17603 1 153 . 1 1 26 26 THR CB C 13 72.424 0.01 . 1 . . . . A 26 THR CB . 17603 1 154 . 1 1 26 26 THR N N 15 120.628 0.01 . 1 . . . . A 26 THR N . 17603 1 155 . 1 1 27 27 ILE H H 1 8.814 0.001 . 1 . . . . A 27 ILE H . 17603 1 156 . 1 1 27 27 ILE HA H 1 4.546 0.001 . 1 . . . . A 27 ILE HA . 17603 1 157 . 1 1 27 27 ILE C C 13 172.440 0.01 . 1 . . . . A 27 ILE C . 17603 1 158 . 1 1 27 27 ILE CA C 13 60.507 0.01 . 1 . . . . A 27 ILE CA . 17603 1 159 . 1 1 27 27 ILE CB C 13 43.183 0.01 . 1 . . . . A 27 ILE CB . 17603 1 160 . 1 1 27 27 ILE N N 15 120.468 0.01 . 1 . . . . A 27 ILE N . 17603 1 161 . 1 1 28 28 GLY H H 1 8.553 0.001 . 1 . . . . A 28 GLY H . 17603 1 162 . 1 1 28 28 GLY HA2 H 1 4.199 0.001 . 2 . . . . A 28 GLY HA2 . 17603 1 163 . 1 1 28 28 GLY HA3 H 1 3.507 0.001 . 2 . . . . A 28 GLY HA3 . 17603 1 164 . 1 1 28 28 GLY C C 13 174.772 0.01 . 1 . . . . A 28 GLY C . 17603 1 165 . 1 1 28 28 GLY CA C 13 45.997 0.01 . 1 . . . . A 28 GLY CA . 17603 1 166 . 1 1 28 28 GLY N N 15 112.172 0.01 . 1 . . . . A 28 GLY N . 17603 1 167 . 1 1 29 29 ILE H H 1 10.142 0.001 . 1 . . . . A 29 ILE H . 17603 1 168 . 1 1 29 29 ILE HA H 1 4.826 0.001 . 1 . . . . A 29 ILE HA . 17603 1 169 . 1 1 29 29 ILE C C 13 176.677 0.01 . 1 . . . . A 29 ILE C . 17603 1 170 . 1 1 29 29 ILE CA C 13 59.212 0.01 . 1 . . . . A 29 ILE CA . 17603 1 171 . 1 1 29 29 ILE CB C 13 35.861 0.01 . 1 . . . . A 29 ILE CB . 17603 1 172 . 1 1 29 29 ILE N N 15 133.320 0.01 . 1 . . . . A 29 ILE N . 17603 1 173 . 1 1 30 30 GLY H H 1 8.121 0.001 . 1 . . . . A 30 GLY H . 17603 1 174 . 1 1 30 30 GLY HA2 H 1 4.066 0.001 . 2 . . . . A 30 GLY HA2 . 17603 1 175 . 1 1 30 30 GLY HA3 H 1 3.685 0.001 . 2 . . . . A 30 GLY HA3 . 17603 1 176 . 1 1 30 30 GLY C C 13 173.131 0.01 . 1 . . . . A 30 GLY C . 17603 1 177 . 1 1 30 30 GLY CA C 13 47.191 0.01 . 1 . . . . A 30 GLY CA . 17603 1 178 . 1 1 30 30 GLY N N 15 108.192 0.01 . 1 . . . . A 30 GLY N . 17603 1 179 . 1 1 31 31 HIS H H 1 8.266 0.001 . 1 . . . . A 31 HIS H . 17603 1 180 . 1 1 31 31 HIS HA H 1 4.301 0.001 . 1 . . . . A 31 HIS HA . 17603 1 181 . 1 1 31 31 HIS C C 13 173.495 0.01 . 1 . . . . A 31 HIS C . 17603 1 182 . 1 1 31 31 HIS CA C 13 56.674 0.01 . 1 . . . . A 31 HIS CA . 17603 1 183 . 1 1 31 31 HIS CB C 13 27.571 0.01 . 1 . . . . A 31 HIS CB . 17603 1 184 . 1 1 31 31 HIS N N 15 115.740 0.01 . 1 . . . . A 31 HIS N . 17603 1 185 . 1 1 32 32 LEU H H 1 7.873 0.001 . 1 . . . . A 32 LEU H . 17603 1 186 . 1 1 32 32 LEU HA H 1 4.089 0.001 . 1 . . . . A 32 LEU HA . 17603 1 187 . 1 1 32 32 LEU C C 13 176.486 0.01 . 1 . . . . A 32 LEU C . 17603 1 188 . 1 1 32 32 LEU CA C 13 55.840 0.01 . 1 . . . . A 32 LEU CA . 17603 1 189 . 1 1 32 32 LEU CB C 13 41.934 0.01 . 1 . . . . A 32 LEU CB . 17603 1 190 . 1 1 32 32 LEU N N 15 132.140 0.01 . 1 . . . . A 32 LEU N . 17603 1 191 . 1 1 33 33 LEU H H 1 9.060 0.001 . 1 . . . . A 33 LEU H . 17603 1 192 . 1 1 33 33 LEU HA H 1 4.436 0.001 . 1 . . . . A 33 LEU HA . 17603 1 193 . 1 1 33 33 LEU C C 13 176.139 0.01 . 1 . . . . A 33 LEU C . 17603 1 194 . 1 1 33 33 LEU CA C 13 55.682 0.01 . 1 . . . . A 33 LEU CA . 17603 1 195 . 1 1 33 33 LEU CB C 13 43.449 0.01 . 1 . . . . A 33 LEU CB . 17603 1 196 . 1 1 33 33 LEU N N 15 125.594 0.01 . 1 . . . . A 33 LEU N . 17603 1 197 . 1 1 34 34 THR H H 1 7.266 0.001 . 1 . . . . A 34 THR H . 17603 1 198 . 1 1 34 34 THR HA H 1 4.485 0.001 . 1 . . . . A 34 THR HA . 17603 1 199 . 1 1 34 34 THR C C 13 171.666 0.01 . 1 . . . . A 34 THR C . 17603 1 200 . 1 1 34 34 THR CA C 13 60.278 0.01 . 1 . . . . A 34 THR CA . 17603 1 201 . 1 1 34 34 THR CB C 13 67.479 0.01 . 1 . . . . A 34 THR CB . 17603 1 202 . 1 1 34 34 THR N N 15 109.512 0.01 . 1 . . . . A 34 THR N . 17603 1 203 . 1 1 35 35 LYS H H 1 8.556 0.001 . 1 . . . . A 35 LYS H . 17603 1 204 . 1 1 35 35 LYS HA H 1 4.294 0.001 . 1 . . . . A 35 LYS HA . 17603 1 205 . 1 1 35 35 LYS C C 13 176.714 0.01 . 1 . . . . A 35 LYS C . 17603 1 206 . 1 1 35 35 LYS CA C 13 56.355 0.01 . 1 . . . . A 35 LYS CA . 17603 1 207 . 1 1 35 35 LYS CB C 13 32.386 0.01 . 1 . . . . A 35 LYS CB . 17603 1 208 . 1 1 35 35 LYS N N 15 125.041 0.01 . 1 . . . . A 35 LYS N . 17603 1 209 . 1 1 36 36 SER H H 1 8.671 0.001 . 1 . . . . A 36 SER H . 17603 1 210 . 1 1 36 36 SER CA C 13 57.016 0.01 . 1 . . . . A 36 SER CA . 17603 1 211 . 1 1 36 36 SER CB C 13 64.053 0.01 . 1 . . . . A 36 SER CB . 17603 1 212 . 1 1 36 36 SER N N 15 119.417 0.01 . 1 . . . . A 36 SER N . 17603 1 213 . 1 1 37 37 PRO HA H 1 4.834 0.001 . 1 . . . . A 37 PRO HA . 17603 1 214 . 1 1 37 37 PRO C C 13 177.182 0.01 . 1 . . . . A 37 PRO C . 17603 1 215 . 1 1 37 37 PRO CA C 13 63.717 0.01 . 1 . . . . A 37 PRO CA . 17603 1 216 . 1 1 37 37 PRO CB C 13 30.652 0.01 . 1 . . . . A 37 PRO CB . 17603 1 217 . 1 1 38 38 SER H H 1 8.189 0.001 . 1 . . . . A 38 SER H . 17603 1 218 . 1 1 38 38 SER HA H 1 4.703 0.001 . 1 . . . . A 38 SER HA . 17603 1 219 . 1 1 38 38 SER C C 13 174.405 0.01 . 1 . . . . A 38 SER C . 17603 1 220 . 1 1 38 38 SER CA C 13 56.494 0.01 . 1 . . . . A 38 SER CA . 17603 1 221 . 1 1 38 38 SER CB C 13 63.608 0.01 . 1 . . . . A 38 SER CB . 17603 1 222 . 1 1 38 38 SER N N 15 116.310 0.01 . 1 . . . . A 38 SER N . 17603 1 223 . 1 1 39 39 LEU H H 1 8.916 0.001 . 1 . . . . A 39 LEU H . 17603 1 224 . 1 1 39 39 LEU HA H 1 3.355 0.001 . 1 . . . . A 39 LEU HA . 17603 1 225 . 1 1 39 39 LEU C C 13 178.441 0.01 . 1 . . . . A 39 LEU C . 17603 1 226 . 1 1 39 39 LEU CA C 13 57.258 0.01 . 1 . . . . A 39 LEU CA . 17603 1 227 . 1 1 39 39 LEU CB C 13 41.485 0.01 . 1 . . . . A 39 LEU CB . 17603 1 228 . 1 1 39 39 LEU N N 15 132.784 0.01 . 1 . . . . A 39 LEU N . 17603 1 229 . 1 1 40 40 ASN H H 1 8.255 0.001 . 1 . . . . A 40 ASN H . 17603 1 230 . 1 1 40 40 ASN HA H 1 4.263 0.001 . 1 . . . . A 40 ASN HA . 17603 1 231 . 1 1 40 40 ASN C C 13 178.226 0.01 . 1 . . . . A 40 ASN C . 17603 1 232 . 1 1 40 40 ASN CA C 13 56.338 0.01 . 1 . . . . A 40 ASN CA . 17603 1 233 . 1 1 40 40 ASN CB C 13 37.723 0.01 . 1 . . . . A 40 ASN CB . 17603 1 234 . 1 1 40 40 ASN N N 15 116.840 0.01 . 1 . . . . A 40 ASN N . 17603 1 235 . 1 1 41 41 ALA H H 1 7.710 0.001 . 1 . . . . A 41 ALA H . 17603 1 236 . 1 1 41 41 ALA HA H 1 4.194 0.001 . 1 . . . . A 41 ALA HA . 17603 1 237 . 1 1 41 41 ALA C C 13 179.835 0.01 . 1 . . . . A 41 ALA C . 17603 1 238 . 1 1 41 41 ALA CA C 13 54.868 0.01 . 1 . . . . A 41 ALA CA . 17603 1 239 . 1 1 41 41 ALA CB C 13 17.872 0.01 . 1 . . . . A 41 ALA CB . 17603 1 240 . 1 1 41 41 ALA N N 15 123.964 0.01 . 1 . . . . A 41 ALA N . 17603 1 241 . 1 1 42 42 ALA H H 1 7.571 0.001 . 1 . . . . A 42 ALA H . 17603 1 242 . 1 1 42 42 ALA HA H 1 3.750 0.001 . 1 . . . . A 42 ALA HA . 17603 1 243 . 1 1 42 42 ALA C C 13 178.838 0.01 . 1 . . . . A 42 ALA C . 17603 1 244 . 1 1 42 42 ALA CA C 13 55.533 0.01 . 1 . . . . A 42 ALA CA . 17603 1 245 . 1 1 42 42 ALA CB C 13 18.576 0.01 . 1 . . . . A 42 ALA CB . 17603 1 246 . 1 1 42 42 ALA N N 15 121.099 0.01 . 1 . . . . A 42 ALA N . 17603 1 247 . 1 1 43 43 LYS H H 1 8.377 0.001 . 1 . . . . A 43 LYS H . 17603 1 248 . 1 1 43 43 LYS HA H 1 3.654 0.001 . 1 . . . . A 43 LYS HA . 17603 1 249 . 1 1 43 43 LYS C C 13 177.511 0.01 . 1 . . . . A 43 LYS C . 17603 1 250 . 1 1 43 43 LYS CA C 13 60.659 0.01 . 1 . . . . A 43 LYS CA . 17603 1 251 . 1 1 43 43 LYS CB C 13 32.427 0.01 . 1 . . . . A 43 LYS CB . 17603 1 252 . 1 1 43 43 LYS N N 15 117.308 0.01 . 1 . . . . A 43 LYS N . 17603 1 253 . 1 1 44 44 SER H H 1 7.895 0.001 . 1 . . . . A 44 SER H . 17603 1 254 . 1 1 44 44 SER HA H 1 4.256 0.001 . 1 . . . . A 44 SER HA . 17603 1 255 . 1 1 44 44 SER C C 13 177.894 0.01 . 1 . . . . A 44 SER C . 17603 1 256 . 1 1 44 44 SER CA C 13 61.764 0.01 . 1 . . . . A 44 SER CA . 17603 1 257 . 1 1 44 44 SER CB C 13 62.722 0.01 . 1 . . . . A 44 SER CB . 17603 1 258 . 1 1 44 44 SER N N 15 114.066 0.01 . 1 . . . . A 44 SER N . 17603 1 259 . 1 1 45 45 GLU H H 1 7.988 0.001 . 1 . . . . A 45 GLU H . 17603 1 260 . 1 1 45 45 GLU HA H 1 4.107 0.001 . 1 . . . . A 45 GLU HA . 17603 1 261 . 1 1 45 45 GLU C C 13 179.336 0.01 . 1 . . . . A 45 GLU C . 17603 1 262 . 1 1 45 45 GLU CA C 13 58.426 0.01 . 1 . . . . A 45 GLU CA . 17603 1 263 . 1 1 45 45 GLU CB C 13 29.348 0.01 . 1 . . . . A 45 GLU CB . 17603 1 264 . 1 1 45 45 GLU N N 15 120.349 0.01 . 1 . . . . A 45 GLU N . 17603 1 265 . 1 1 46 46 LEU H H 1 8.286 0.001 . 1 . . . . A 46 LEU H . 17603 1 266 . 1 1 46 46 LEU HA H 1 3.938 0.001 . 1 . . . . A 46 LEU HA . 17603 1 267 . 1 1 46 46 LEU C C 13 177.291 0.01 . 1 . . . . A 46 LEU C . 17603 1 268 . 1 1 46 46 LEU CA C 13 57.649 0.01 . 1 . . . . A 46 LEU CA . 17603 1 269 . 1 1 46 46 LEU CB C 13 41.616 0.01 . 1 . . . . A 46 LEU CB . 17603 1 270 . 1 1 46 46 LEU N N 15 122.887 0.01 . 1 . . . . A 46 LEU N . 17603 1 271 . 1 1 47 47 ASP H H 1 8.553 0.001 . 1 . . . . A 47 ASP H . 17603 1 272 . 1 1 47 47 ASP HA H 1 4.760 0.001 . 1 . . . . A 47 ASP HA . 17603 1 273 . 1 1 47 47 ASP C C 13 180.926 0.01 . 1 . . . . A 47 ASP C . 17603 1 274 . 1 1 47 47 ASP CA C 13 57.318 0.01 . 1 . . . . A 47 ASP CA . 17603 1 275 . 1 1 47 47 ASP CB C 13 40.029 0.01 . 1 . . . . A 47 ASP CB . 17603 1 276 . 1 1 47 47 ASP N N 15 120.418 0.01 . 1 . . . . A 47 ASP N . 17603 1 277 . 1 1 48 48 LYS H H 1 7.747 0.001 . 1 . . . . A 48 LYS H . 17603 1 278 . 1 1 48 48 LYS HA H 1 4.003 0.001 . 1 . . . . A 48 LYS HA . 17603 1 279 . 1 1 48 48 LYS C C 13 178.198 0.01 . 1 . . . . A 48 LYS C . 17603 1 280 . 1 1 48 48 LYS CA C 13 59.181 0.01 . 1 . . . . A 48 LYS CA . 17603 1 281 . 1 1 48 48 LYS CB C 13 32.704 0.01 . 1 . . . . A 48 LYS CB . 17603 1 282 . 1 1 48 48 LYS N N 15 120.743 0.01 . 1 . . . . A 48 LYS N . 17603 1 283 . 1 1 49 49 ALA H H 1 7.925 0.001 . 1 . . . . A 49 ALA H . 17603 1 284 . 1 1 49 49 ALA HA H 1 4.156 0.001 . 1 . . . . A 49 ALA HA . 17603 1 285 . 1 1 49 49 ALA C C 13 179.386 0.01 . 1 . . . . A 49 ALA C . 17603 1 286 . 1 1 49 49 ALA CA C 13 54.472 0.01 . 1 . . . . A 49 ALA CA . 17603 1 287 . 1 1 49 49 ALA CB C 13 18.234 0.01 . 1 . . . . A 49 ALA CB . 17603 1 288 . 1 1 49 49 ALA N N 15 121.258 0.01 . 1 . . . . A 49 ALA N . 17603 1 289 . 1 1 50 50 ILE H H 1 8.323 0.001 . 1 . . . . A 50 ILE H . 17603 1 290 . 1 1 50 50 ILE HA H 1 4.078 0.001 . 1 . . . . A 50 ILE HA . 17603 1 291 . 1 1 50 50 ILE C C 13 177.205 0.01 . 1 . . . . A 50 ILE C . 17603 1 292 . 1 1 50 50 ILE CA C 13 59.102 0.01 . 1 . . . . A 50 ILE CA . 17603 1 293 . 1 1 50 50 ILE CB C 13 37.294 0.01 . 1 . . . . A 50 ILE CB . 17603 1 294 . 1 1 50 50 ILE N N 15 114.806 0.01 . 1 . . . . A 50 ILE N . 17603 1 295 . 1 1 51 51 GLY H H 1 8.340 0.001 . 1 . . . . A 51 GLY H . 17603 1 296 . 1 1 51 51 GLY HA2 H 1 4.143 0.001 . 2 . . . . A 51 GLY HA2 . 17603 1 297 . 1 1 51 51 GLY HA3 H 1 3.761 0.001 . 2 . . . . A 51 GLY HA3 . 17603 1 298 . 1 1 51 51 GLY C C 13 173.771 0.01 . 1 . . . . A 51 GLY C . 17603 1 299 . 1 1 51 51 GLY CA C 13 45.922 0.01 . 1 . . . . A 51 GLY CA . 17603 1 300 . 1 1 51 51 GLY N N 15 109.238 0.01 . 1 . . . . A 51 GLY N . 17603 1 301 . 1 1 52 52 ARG H H 1 7.656 0.001 . 1 . . . . A 52 ARG H . 17603 1 302 . 1 1 52 52 ARG HA H 1 4.557 0.001 . 1 . . . . A 52 ARG HA . 17603 1 303 . 1 1 52 52 ARG C C 13 172.391 0.01 . 1 . . . . A 52 ARG C . 17603 1 304 . 1 1 52 52 ARG CA C 13 54.080 0.01 . 1 . . . . A 52 ARG CA . 17603 1 305 . 1 1 52 52 ARG CB C 13 32.207 0.01 . 1 . . . . A 52 ARG CB . 17603 1 306 . 1 1 52 52 ARG N N 15 115.526 0.01 . 1 . . . . A 52 ARG N . 17603 1 307 . 1 1 53 53 ASN H H 1 8.241 0.001 . 1 . . . . A 53 ASN H . 17603 1 308 . 1 1 53 53 ASN HA H 1 4.696 0.001 . 1 . . . . A 53 ASN HA . 17603 1 309 . 1 1 53 53 ASN C C 13 175.491 0.01 . 1 . . . . A 53 ASN C . 17603 1 310 . 1 1 53 53 ASN CA C 13 53.151 0.01 . 1 . . . . A 53 ASN CA . 17603 1 311 . 1 1 53 53 ASN CB C 13 37.677 0.01 . 1 . . . . A 53 ASN CB . 17603 1 312 . 1 1 53 53 ASN N N 15 115.684 0.01 . 1 . . . . A 53 ASN N . 17603 1 313 . 1 1 54 54 THR H H 1 9.034 0.001 . 1 . . . . A 54 THR H . 17603 1 314 . 1 1 54 54 THR HA H 1 4.300 0.001 . 1 . . . . A 54 THR HA . 17603 1 315 . 1 1 54 54 THR C C 13 177.264 0.01 . 1 . . . . A 54 THR C . 17603 1 316 . 1 1 54 54 THR CA C 13 63.701 0.01 . 1 . . . . A 54 THR CA . 17603 1 317 . 1 1 54 54 THR CB C 13 70.615 0.01 . 1 . . . . A 54 THR CB . 17603 1 318 . 1 1 54 54 THR N N 15 119.609 0.01 . 1 . . . . A 54 THR N . 17603 1 319 . 1 1 55 55 ASN H H 1 9.426 0.001 . 1 . . . . A 55 ASN H . 17603 1 320 . 1 1 55 55 ASN HA H 1 4.384 0.001 . 1 . . . . A 55 ASN HA . 17603 1 321 . 1 1 55 55 ASN C C 13 175.774 0.01 . 1 . . . . A 55 ASN C . 17603 1 322 . 1 1 55 55 ASN CA C 13 54.426 0.01 . 1 . . . . A 55 ASN CA . 17603 1 323 . 1 1 55 55 ASN CB C 13 38.645 0.01 . 1 . . . . A 55 ASN CB . 17603 1 324 . 1 1 55 55 ASN N N 15 120.027 0.01 . 1 . . . . A 55 ASN N . 17603 1 325 . 1 1 56 56 GLY H H 1 8.662 0.001 . 1 . . . . A 56 GLY H . 17603 1 326 . 1 1 56 56 GLY HA2 H 1 3.281 0.001 . 2 . . . . A 56 GLY HA2 . 17603 1 327 . 1 1 56 56 GLY HA3 H 1 4.150 0.001 . 2 . . . . A 56 GLY HA3 . 17603 1 328 . 1 1 56 56 GLY C C 13 172.072 0.01 . 1 . . . . A 56 GLY C . 17603 1 329 . 1 1 56 56 GLY CA C 13 46.186 0.01 . 1 . . . . A 56 GLY CA . 17603 1 330 . 1 1 56 56 GLY N N 15 103.056 0.01 . 1 . . . . A 56 GLY N . 17603 1 331 . 1 1 57 57 VAL H H 1 7.444 0.001 . 1 . . . . A 57 VAL H . 17603 1 332 . 1 1 57 57 VAL HA H 1 5.129 0.001 . 1 . . . . A 57 VAL HA . 17603 1 333 . 1 1 57 57 VAL C C 13 174.971 0.01 . 1 . . . . A 57 VAL C . 17603 1 334 . 1 1 57 57 VAL CA C 13 61.021 0.01 . 1 . . . . A 57 VAL CA . 17603 1 335 . 1 1 57 57 VAL CB C 13 35.171 0.01 . 1 . . . . A 57 VAL CB . 17603 1 336 . 1 1 57 57 VAL N N 15 119.999 0.01 . 1 . . . . A 57 VAL N . 17603 1 337 . 1 1 58 58 ILE H H 1 8.562 0.001 . 1 . . . . A 58 ILE H . 17603 1 338 . 1 1 58 58 ILE HA H 1 4.846 0.001 . 1 . . . . A 58 ILE HA . 17603 1 339 . 1 1 58 58 ILE C C 13 175.376 0.01 . 1 . . . . A 58 ILE C . 17603 1 340 . 1 1 58 58 ILE CA C 13 58.639 0.01 . 1 . . . . A 58 ILE CA . 17603 1 341 . 1 1 58 58 ILE CB C 13 41.872 0.01 . 1 . . . . A 58 ILE CB . 17603 1 342 . 1 1 58 58 ILE N N 15 116.746 0.01 . 1 . . . . A 58 ILE N . 17603 1 343 . 1 1 59 59 THR H H 1 8.682 0.001 . 1 . . . . A 59 THR H . 17603 1 344 . 1 1 59 59 THR HA H 1 4.632 0.001 . 1 . . . . A 59 THR HA . 17603 1 345 . 1 1 59 59 THR C C 13 176.431 0.01 . 1 . . . . A 59 THR C . 17603 1 346 . 1 1 59 59 THR CA C 13 59.899 0.01 . 1 . . . . A 59 THR CA . 17603 1 347 . 1 1 59 59 THR CB C 13 71.419 0.01 . 1 . . . . A 59 THR CB . 17603 1 348 . 1 1 59 59 THR N N 15 109.208 0.01 . 1 . . . . A 59 THR N . 17603 1 349 . 1 1 60 60 LYS H H 1 9.097 0.001 . 1 . . . . A 60 LYS H . 17603 1 350 . 1 1 60 60 LYS HA H 1 3.839 0.001 . 1 . . . . A 60 LYS HA . 17603 1 351 . 1 1 60 60 LYS C C 13 178.238 0.01 . 1 . . . . A 60 LYS C . 17603 1 352 . 1 1 60 60 LYS CA C 13 60.763 0.01 . 1 . . . . A 60 LYS CA . 17603 1 353 . 1 1 60 60 LYS CB C 13 32.016 0.01 . 1 . . . . A 60 LYS CB . 17603 1 354 . 1 1 60 60 LYS N N 15 121.442 0.01 . 1 . . . . A 60 LYS N . 17603 1 355 . 1 1 61 61 ASP H H 1 8.234 0.001 . 1 . . . . A 61 ASP H . 17603 1 356 . 1 1 61 61 ASP HA H 1 4.367 0.001 . 1 . . . . A 61 ASP HA . 17603 1 357 . 1 1 61 61 ASP C C 13 179.613 0.01 . 1 . . . . A 61 ASP C . 17603 1 358 . 1 1 61 61 ASP CA C 13 57.355 0.01 . 1 . . . . A 61 ASP CA . 17603 1 359 . 1 1 61 61 ASP CB C 13 40.521 0.01 . 1 . . . . A 61 ASP CB . 17603 1 360 . 1 1 61 61 ASP N N 15 117.513 0.01 . 1 . . . . A 61 ASP N . 17603 1 361 . 1 1 62 62 GLU H H 1 7.725 0.001 . 1 . . . . A 62 GLU H . 17603 1 362 . 1 1 62 62 GLU HA H 1 3.889 0.001 . 1 . . . . A 62 GLU HA . 17603 1 363 . 1 1 62 62 GLU C C 13 178.900 0.01 . 1 . . . . A 62 GLU C . 17603 1 364 . 1 1 62 62 GLU CA C 13 59.050 0.01 . 1 . . . . A 62 GLU CA . 17603 1 365 . 1 1 62 62 GLU CB C 13 29.483 0.01 . 1 . . . . A 62 GLU CB . 17603 1 366 . 1 1 62 62 GLU N N 15 121.613 0.01 . 1 . . . . A 62 GLU N . 17603 1 367 . 1 1 63 63 ALA H H 1 8.500 0.001 . 1 . . . . A 63 ALA H . 17603 1 368 . 1 1 63 63 ALA HA H 1 3.884 0.001 . 1 . . . . A 63 ALA HA . 17603 1 369 . 1 1 63 63 ALA C C 13 180.712 0.01 . 1 . . . . A 63 ALA C . 17603 1 370 . 1 1 63 63 ALA CA C 13 55.102 0.01 . 1 . . . . A 63 ALA CA . 17603 1 371 . 1 1 63 63 ALA CB C 13 18.491 0.01 . 1 . . . . A 63 ALA CB . 17603 1 372 . 1 1 63 63 ALA N N 15 121.265 0.01 . 1 . . . . A 63 ALA N . 17603 1 373 . 1 1 64 64 GLU H H 1 8.412 0.001 . 1 . . . . A 64 GLU H . 17603 1 374 . 1 1 64 64 GLU HA H 1 4.094 0.001 . 1 . . . . A 64 GLU HA . 17603 1 375 . 1 1 64 64 GLU C C 13 177.848 0.01 . 1 . . . . A 64 GLU C . 17603 1 376 . 1 1 64 64 GLU CA C 13 59.757 0.01 . 1 . . . . A 64 GLU CA . 17603 1 377 . 1 1 64 64 GLU CB C 13 29.113 0.01 . 1 . . . . A 64 GLU CB . 17603 1 378 . 1 1 64 64 GLU N N 15 120.135 0.01 . 1 . . . . A 64 GLU N . 17603 1 379 . 1 1 65 65 LYS H H 1 7.853 0.001 . 1 . . . . A 65 LYS H . 17603 1 380 . 1 1 65 65 LYS HA H 1 4.152 0.001 . 1 . . . . A 65 LYS HA . 17603 1 381 . 1 1 65 65 LYS C C 13 179.601 0.01 . 1 . . . . A 65 LYS C . 17603 1 382 . 1 1 65 65 LYS CA C 13 60.118 0.01 . 1 . . . . A 65 LYS CA . 17603 1 383 . 1 1 65 65 LYS CB C 13 32.320 0.01 . 1 . . . . A 65 LYS CB . 17603 1 384 . 1 1 65 65 LYS N N 15 122.023 0.01 . 1 . . . . A 65 LYS N . 17603 1 385 . 1 1 66 66 LEU H H 1 7.822 0.001 . 1 . . . . A 66 LEU H . 17603 1 386 . 1 1 66 66 LEU HA H 1 3.933 0.001 . 1 . . . . A 66 LEU HA . 17603 1 387 . 1 1 66 66 LEU C C 13 177.920 0.01 . 1 . . . . A 66 LEU C . 17603 1 388 . 1 1 66 66 LEU CA C 13 57.502 0.01 . 1 . . . . A 66 LEU CA . 17603 1 389 . 1 1 66 66 LEU CB C 13 42.380 0.01 . 1 . . . . A 66 LEU CB . 17603 1 390 . 1 1 66 66 LEU N N 15 118.739 0.01 . 1 . . . . A 66 LEU N . 17603 1 391 . 1 1 67 67 PHE H H 1 8.075 0.001 . 1 . . . . A 67 PHE H . 17603 1 392 . 1 1 67 67 PHE HA H 1 5.195 0.001 . 1 . . . . A 67 PHE HA . 17603 1 393 . 1 1 67 67 PHE C C 13 177.421 0.01 . 1 . . . . A 67 PHE C . 17603 1 394 . 1 1 67 67 PHE CA C 13 59.933 0.01 . 1 . . . . A 67 PHE CA . 17603 1 395 . 1 1 67 67 PHE CB C 13 39.975 0.01 . 1 . . . . A 67 PHE CB . 17603 1 396 . 1 1 67 67 PHE N N 15 119.050 0.01 . 1 . . . . A 67 PHE N . 17603 1 397 . 1 1 68 68 ASN H H 1 8.505 0.001 . 1 . . . . A 68 ASN H . 17603 1 398 . 1 1 68 68 ASN HA H 1 4.249 0.001 . 1 . . . . A 68 ASN HA . 17603 1 399 . 1 1 68 68 ASN C C 13 178.777 0.01 . 1 . . . . A 68 ASN C . 17603 1 400 . 1 1 68 68 ASN CA C 13 57.058 0.01 . 1 . . . . A 68 ASN CA . 17603 1 401 . 1 1 68 68 ASN CB C 13 38.491 0.01 . 1 . . . . A 68 ASN CB . 17603 1 402 . 1 1 68 68 ASN N N 15 118.041 0.01 . 1 . . . . A 68 ASN N . 17603 1 403 . 1 1 69 69 GLN H H 1 7.763 0.001 . 1 . . . . A 69 GLN H . 17603 1 404 . 1 1 69 69 GLN HA H 1 4.179 0.001 . 1 . . . . A 69 GLN HA . 17603 1 405 . 1 1 69 69 GLN C C 13 178.938 0.01 . 1 . . . . A 69 GLN C . 17603 1 406 . 1 1 69 69 GLN CA C 13 58.889 0.01 . 1 . . . . A 69 GLN CA . 17603 1 407 . 1 1 69 69 GLN CB C 13 28.552 0.01 . 1 . . . . A 69 GLN CB . 17603 1 408 . 1 1 69 69 GLN N N 15 118.812 0.01 . 1 . . . . A 69 GLN N . 17603 1 409 . 1 1 70 70 ASP H H 1 8.757 0.001 . 1 . . . . A 70 ASP H . 17603 1 410 . 1 1 70 70 ASP HA H 1 4.499 0.001 . 1 . . . . A 70 ASP HA . 17603 1 411 . 1 1 70 70 ASP C C 13 180.101 0.01 . 1 . . . . A 70 ASP C . 17603 1 412 . 1 1 70 70 ASP CA C 13 57.042 0.01 . 1 . . . . A 70 ASP CA . 17603 1 413 . 1 1 70 70 ASP CB C 13 40.440 0.01 . 1 . . . . A 70 ASP CB . 17603 1 414 . 1 1 70 70 ASP N N 15 123.281 0.01 . 1 . . . . A 70 ASP N . 17603 1 415 . 1 1 71 71 VAL H H 1 9.015 0.001 . 1 . . . . A 71 VAL H . 17603 1 416 . 1 1 71 71 VAL HA H 1 3.596 0.001 . 1 . . . . A 71 VAL HA . 17603 1 417 . 1 1 71 71 VAL C C 13 177.160 0.01 . 1 . . . . A 71 VAL C . 17603 1 418 . 1 1 71 71 VAL CA C 13 68.009 0.01 . 1 . . . . A 71 VAL CA . 17603 1 419 . 1 1 71 71 VAL CB C 13 31.583 0.01 . 1 . . . . A 71 VAL CB . 17603 1 420 . 1 1 71 71 VAL N N 15 125.532 0.01 . 1 . . . . A 71 VAL N . 17603 1 421 . 1 1 72 72 ASP H H 1 7.599 0.001 . 1 . . . . A 72 ASP H . 17603 1 422 . 1 1 72 72 ASP HA H 1 4.362 0.001 . 1 . . . . A 72 ASP HA . 17603 1 423 . 1 1 72 72 ASP C C 13 178.561 0.01 . 1 . . . . A 72 ASP C . 17603 1 424 . 1 1 72 72 ASP CA C 13 57.323 0.01 . 1 . . . . A 72 ASP CA . 17603 1 425 . 1 1 72 72 ASP CB C 13 41.083 0.01 . 1 . . . . A 72 ASP CB . 17603 1 426 . 1 1 72 72 ASP N N 15 119.221 0.01 . 1 . . . . A 72 ASP N . 17603 1 427 . 1 1 73 73 ALA H H 1 8.276 0.001 . 1 . . . . A 73 ALA H . 17603 1 428 . 1 1 73 73 ALA HA H 1 3.999 0.001 . 1 . . . . A 73 ALA HA . 17603 1 429 . 1 1 73 73 ALA C C 13 180.491 0.01 . 1 . . . . A 73 ALA C . 17603 1 430 . 1 1 73 73 ALA CA C 13 55.086 0.01 . 1 . . . . A 73 ALA CA . 17603 1 431 . 1 1 73 73 ALA CB C 13 18.522 0.01 . 1 . . . . A 73 ALA CB . 17603 1 432 . 1 1 73 73 ALA N N 15 120.038 0.01 . 1 . . . . A 73 ALA N . 17603 1 433 . 1 1 74 74 ALA H H 1 7.925 0.001 . 1 . . . . A 74 ALA H . 17603 1 434 . 1 1 74 74 ALA HA H 1 4.163 0.001 . 1 . . . . A 74 ALA HA . 17603 1 435 . 1 1 74 74 ALA C C 13 178.997 0.01 . 1 . . . . A 74 ALA C . 17603 1 436 . 1 1 74 74 ALA CA C 13 54.827 0.01 . 1 . . . . A 74 ALA CA . 17603 1 437 . 1 1 74 74 ALA CB C 13 18.430 0.01 . 1 . . . . A 74 ALA CB . 17603 1 438 . 1 1 74 74 ALA N N 15 123.435 0.01 . 1 . . . . A 74 ALA N . 17603 1 439 . 1 1 75 75 VAL H H 1 8.141 0.001 . 1 . . . . A 75 VAL H . 17603 1 440 . 1 1 75 75 VAL HA H 1 3.231 0.001 . 1 . . . . A 75 VAL HA . 17603 1 441 . 1 1 75 75 VAL C C 13 178.108 0.01 . 1 . . . . A 75 VAL C . 17603 1 442 . 1 1 75 75 VAL CA C 13 67.042 0.01 . 1 . . . . A 75 VAL CA . 17603 1 443 . 1 1 75 75 VAL CB C 13 31.838 0.01 . 1 . . . . A 75 VAL CB . 17603 1 444 . 1 1 75 75 VAL N N 15 118.091 0.01 . 1 . . . . A 75 VAL N . 17603 1 445 . 1 1 76 76 ARG H H 1 8.358 0.001 . 1 . . . . A 76 ARG H . 17603 1 446 . 1 1 76 76 ARG HA H 1 3.801 0.001 . 1 . . . . A 76 ARG HA . 17603 1 447 . 1 1 76 76 ARG C C 13 178.816 0.01 . 1 . . . . A 76 ARG C . 17603 1 448 . 1 1 76 76 ARG CA C 13 59.912 0.01 . 1 . . . . A 76 ARG CA . 17603 1 449 . 1 1 76 76 ARG CB C 13 30.226 0.01 . 1 . . . . A 76 ARG CB . 17603 1 450 . 1 1 76 76 ARG N N 15 117.779 0.01 . 1 . . . . A 76 ARG N . 17603 1 451 . 1 1 77 77 GLY H H 1 7.999 0.001 . 1 . . . . A 77 GLY H . 17603 1 452 . 1 1 77 77 GLY HA2 H 1 3.714 0.001 . 2 . . . . A 77 GLY HA2 . 17603 1 453 . 1 1 77 77 GLY HA3 H 1 3.867 0.001 . 2 . . . . A 77 GLY HA3 . 17603 1 454 . 1 1 77 77 GLY C C 13 176.097 0.01 . 1 . . . . A 77 GLY C . 17603 1 455 . 1 1 77 77 GLY CA C 13 46.674 0.01 . 1 . . . . A 77 GLY CA . 17603 1 456 . 1 1 77 77 GLY N N 15 105.669 0.01 . 1 . . . . A 77 GLY N . 17603 1 457 . 1 1 78 78 ILE H H 1 7.579 0.001 . 1 . . . . A 78 ILE H . 17603 1 458 . 1 1 78 78 ILE HA H 1 3.643 0.001 . 1 . . . . A 78 ILE HA . 17603 1 459 . 1 1 78 78 ILE C C 13 177.194 0.01 . 1 . . . . A 78 ILE C . 17603 1 460 . 1 1 78 78 ILE CA C 13 65.222 0.01 . 1 . . . . A 78 ILE CA . 17603 1 461 . 1 1 78 78 ILE CB C 13 37.962 0.01 . 1 . . . . A 78 ILE CB . 17603 1 462 . 1 1 78 78 ILE N N 15 122.001 0.01 . 1 . . . . A 78 ILE N . 17603 1 463 . 1 1 79 79 LEU H H 1 7.929 0.001 . 1 . . . . A 79 LEU H . 17603 1 464 . 1 1 79 79 LEU HA H 1 3.760 0.001 . 1 . . . . A 79 LEU HA . 17603 1 465 . 1 1 79 79 LEU C C 13 178.673 0.01 . 1 . . . . A 79 LEU C . 17603 1 466 . 1 1 79 79 LEU CA C 13 57.217 0.01 . 1 . . . . A 79 LEU CA . 17603 1 467 . 1 1 79 79 LEU CB C 13 41.444 0.01 . 1 . . . . A 79 LEU CB . 17603 1 468 . 1 1 79 79 LEU N N 15 115.459 0.01 . 1 . . . . A 79 LEU N . 17603 1 469 . 1 1 80 80 ARG H H 1 7.680 0.001 . 1 . . . . A 80 ARG H . 17603 1 470 . 1 1 80 80 ARG HA H 1 4.256 0.001 . 1 . . . . A 80 ARG HA . 17603 1 471 . 1 1 80 80 ARG C C 13 175.076 0.01 . 1 . . . . A 80 ARG C . 17603 1 472 . 1 1 80 80 ARG CA C 13 56.029 0.01 . 1 . . . . A 80 ARG CA . 17603 1 473 . 1 1 80 80 ARG CB C 13 30.375 0.01 . 1 . . . . A 80 ARG CB . 17603 1 474 . 1 1 80 80 ARG N N 15 114.830 0.01 . 1 . . . . A 80 ARG N . 17603 1 475 . 1 1 81 81 ASN H H 1 7.516 0.001 . 1 . . . . A 81 ASN H . 17603 1 476 . 1 1 81 81 ASN HA H 1 4.759 0.001 . 1 . . . . A 81 ASN HA . 17603 1 477 . 1 1 81 81 ASN C C 13 174.612 0.01 . 1 . . . . A 81 ASN C . 17603 1 478 . 1 1 81 81 ASN CA C 13 52.514 0.01 . 1 . . . . A 81 ASN CA . 17603 1 479 . 1 1 81 81 ASN CB C 13 39.799 0.01 . 1 . . . . A 81 ASN CB . 17603 1 480 . 1 1 81 81 ASN N N 15 120.935 0.01 . 1 . . . . A 81 ASN N . 17603 1 481 . 1 1 82 82 ALA H H 1 8.784 0.001 . 1 . . . . A 82 ALA H . 17603 1 482 . 1 1 82 82 ALA HA H 1 4.072 0.001 . 1 . . . . A 82 ALA HA . 17603 1 483 . 1 1 82 82 ALA C C 13 178.837 0.01 . 1 . . . . A 82 ALA C . 17603 1 484 . 1 1 82 82 ALA CA C 13 54.885 0.01 . 1 . . . . A 82 ALA CA . 17603 1 485 . 1 1 82 82 ALA CB C 13 18.977 0.01 . 1 . . . . A 82 ALA CB . 17603 1 486 . 1 1 82 82 ALA N N 15 128.007 0.01 . 1 . . . . A 82 ALA N . 17603 1 487 . 1 1 83 83 LYS H H 1 8.075 0.001 . 1 . . . . A 83 LYS H . 17603 1 488 . 1 1 83 83 LYS HA H 1 4.231 0.001 . 1 . . . . A 83 LYS HA . 17603 1 489 . 1 1 83 83 LYS C C 13 177.362 0.01 . 1 . . . . A 83 LYS C . 17603 1 490 . 1 1 83 83 LYS CA C 13 57.565 0.01 . 1 . . . . A 83 LYS CA . 17603 1 491 . 1 1 83 83 LYS CB C 13 32.803 0.01 . 1 . . . . A 83 LYS CB . 17603 1 492 . 1 1 83 83 LYS N N 15 114.232 0.01 . 1 . . . . A 83 LYS N . 17603 1 493 . 1 1 84 84 LEU H H 1 7.422 0.001 . 1 . . . . A 84 LEU H . 17603 1 494 . 1 1 84 84 LEU HA H 1 4.179 0.001 . 1 . . . . A 84 LEU HA . 17603 1 495 . 1 1 84 84 LEU C C 13 178.322 0.01 . 1 . . . . A 84 LEU C . 17603 1 496 . 1 1 84 84 LEU CA C 13 56.631 0.01 . 1 . . . . A 84 LEU CA . 17603 1 497 . 1 1 84 84 LEU CB C 13 42.933 0.01 . 1 . . . . A 84 LEU CB . 17603 1 498 . 1 1 84 84 LEU N N 15 115.899 0.01 . 1 . . . . A 84 LEU N . 17603 1 499 . 1 1 85 85 LYS H H 1 8.407 0.001 . 1 . . . . A 85 LYS H . 17603 1 500 . 1 1 85 85 LYS CA C 13 62.536 0.01 . 1 . . . . A 85 LYS CA . 17603 1 501 . 1 1 85 85 LYS CB C 13 29.963 0.01 . 1 . . . . A 85 LYS CB . 17603 1 502 . 1 1 85 85 LYS N N 15 120.723 0.01 . 1 . . . . A 85 LYS N . 17603 1 503 . 1 1 86 86 PRO HA H 1 4.461 0.001 . 1 . . . . A 86 PRO HA . 17603 1 504 . 1 1 86 86 PRO C C 13 180.075 0.01 . 1 . . . . A 86 PRO C . 17603 1 505 . 1 1 86 86 PRO CA C 13 65.844 0.01 . 1 . . . . A 86 PRO CA . 17603 1 506 . 1 1 86 86 PRO CB C 13 30.807 0.01 . 1 . . . . A 86 PRO CB . 17603 1 507 . 1 1 87 87 VAL H H 1 6.903 0.001 . 1 . . . . A 87 VAL H . 17603 1 508 . 1 1 87 87 VAL HA H 1 3.790 0.001 . 1 . . . . A 87 VAL HA . 17603 1 509 . 1 1 87 87 VAL C C 13 178.477 0.01 . 1 . . . . A 87 VAL C . 17603 1 510 . 1 1 87 87 VAL CA C 13 65.433 0.01 . 1 . . . . A 87 VAL CA . 17603 1 511 . 1 1 87 87 VAL CB C 13 31.496 0.01 . 1 . . . . A 87 VAL CB . 17603 1 512 . 1 1 87 87 VAL N N 15 116.002 0.01 . 1 . . . . A 87 VAL N . 17603 1 513 . 1 1 88 88 TYR H H 1 8.454 0.001 . 1 . . . . A 88 TYR H . 17603 1 514 . 1 1 88 88 TYR HA H 1 3.937 0.001 . 1 . . . . A 88 TYR HA . 17603 1 515 . 1 1 88 88 TYR C C 13 177.346 0.01 . 1 . . . . A 88 TYR C . 17603 1 516 . 1 1 88 88 TYR CA C 13 63.012 0.01 . 1 . . . . A 88 TYR CA . 17603 1 517 . 1 1 88 88 TYR CB C 13 39.695 0.01 . 1 . . . . A 88 TYR CB . 17603 1 518 . 1 1 88 88 TYR N N 15 123.146 0.01 . 1 . . . . A 88 TYR N . 17603 1 519 . 1 1 89 89 ASP H H 1 9.057 0.001 . 1 . . . . A 89 ASP H . 17603 1 520 . 1 1 89 89 ASP HA H 1 4.308 0.001 . 1 . . . . A 89 ASP HA . 17603 1 521 . 1 1 89 89 ASP C C 13 178.136 0.01 . 1 . . . . A 89 ASP C . 17603 1 522 . 1 1 89 89 ASP CA C 13 56.625 0.01 . 1 . . . . A 89 ASP CA . 17603 1 523 . 1 1 89 89 ASP CB C 13 40.586 0.01 . 1 . . . . A 89 ASP CB . 17603 1 524 . 1 1 89 89 ASP N N 15 117.059 0.01 . 1 . . . . A 89 ASP N . 17603 1 525 . 1 1 90 90 SER H H 1 7.385 0.001 . 1 . . . . A 90 SER H . 17603 1 526 . 1 1 90 90 SER HA H 1 4.435 0.001 . 1 . . . . A 90 SER HA . 17603 1 527 . 1 1 90 90 SER C C 13 174.464 0.01 . 1 . . . . A 90 SER C . 17603 1 528 . 1 1 90 90 SER CA C 13 59.549 0.01 . 1 . . . . A 90 SER CA . 17603 1 529 . 1 1 90 90 SER CB C 13 64.598 0.01 . 1 . . . . A 90 SER CB . 17603 1 530 . 1 1 90 90 SER N N 15 113.398 0.01 . 1 . . . . A 90 SER N . 17603 1 531 . 1 1 91 91 LEU H H 1 7.477 0.001 . 1 . . . . A 91 LEU H . 17603 1 532 . 1 1 91 91 LEU HA H 1 4.413 0.001 . 1 . . . . A 91 LEU HA . 17603 1 533 . 1 1 91 91 LEU C C 13 176.375 0.01 . 1 . . . . A 91 LEU C . 17603 1 534 . 1 1 91 91 LEU CA C 13 55.070 0.01 . 1 . . . . A 91 LEU CA . 17603 1 535 . 1 1 91 91 LEU CB C 13 42.810 0.01 . 1 . . . . A 91 LEU CB . 17603 1 536 . 1 1 91 91 LEU N N 15 123.580 0.01 . 1 . . . . A 91 LEU N . 17603 1 537 . 1 1 92 92 ASP H H 1 7.440 0.001 . 1 . . . . A 92 ASP H . 17603 1 538 . 1 1 92 92 ASP HA H 1 4.566 0.001 . 1 . . . . A 92 ASP HA . 17603 1 539 . 1 1 92 92 ASP C C 13 175.360 0.01 . 1 . . . . A 92 ASP C . 17603 1 540 . 1 1 92 92 ASP CA C 13 52.587 0.01 . 1 . . . . A 92 ASP CA . 17603 1 541 . 1 1 92 92 ASP CB C 13 42.840 0.01 . 1 . . . . A 92 ASP CB . 17603 1 542 . 1 1 92 92 ASP N N 15 116.218 0.01 . 1 . . . . A 92 ASP N . 17603 1 543 . 1 1 93 93 ALA H H 1 8.682 0.001 . 1 . . . . A 93 ALA H . 17603 1 544 . 1 1 93 93 ALA HA H 1 3.740 0.001 . 1 . . . . A 93 ALA HA . 17603 1 545 . 1 1 93 93 ALA C C 13 179.894 0.01 . 1 . . . . A 93 ALA C . 17603 1 546 . 1 1 93 93 ALA CA C 13 56.229 0.01 . 1 . . . . A 93 ALA CA . 17603 1 547 . 1 1 93 93 ALA CB C 13 19.309 0.01 . 1 . . . . A 93 ALA CB . 17603 1 548 . 1 1 93 93 ALA N N 15 119.801 0.01 . 1 . . . . A 93 ALA N . 17603 1 549 . 1 1 94 94 VAL H H 1 7.580 0.001 . 1 . . . . A 94 VAL H . 17603 1 550 . 1 1 94 94 VAL HA H 1 3.028 0.001 . 1 . . . . A 94 VAL HA . 17603 1 551 . 1 1 94 94 VAL C C 13 177.116 0.01 . 1 . . . . A 94 VAL C . 17603 1 552 . 1 1 94 94 VAL CA C 13 65.718 0.01 . 1 . . . . A 94 VAL CA . 17603 1 553 . 1 1 94 94 VAL CB C 13 30.940 0.01 . 1 . . . . A 94 VAL CB . 17603 1 554 . 1 1 94 94 VAL N N 15 118.735 0.01 . 1 . . . . A 94 VAL N . 17603 1 555 . 1 1 95 95 ARG H H 1 7.729 0.001 . 1 . . . . A 95 ARG H . 17603 1 556 . 1 1 95 95 ARG HA H 1 3.280 0.001 . 1 . . . . A 95 ARG HA . 17603 1 557 . 1 1 95 95 ARG C C 13 178.366 0.01 . 1 . . . . A 95 ARG C . 17603 1 558 . 1 1 95 95 ARG CA C 13 60.414 0.01 . 1 . . . . A 95 ARG CA . 17603 1 559 . 1 1 95 95 ARG CB C 13 30.423 0.01 . 1 . . . . A 95 ARG CB . 17603 1 560 . 1 1 95 95 ARG N N 15 119.108 0.01 . 1 . . . . A 95 ARG N . 17603 1 561 . 1 1 96 96 ARG H H 1 8.638 0.001 . 1 . . . . A 96 ARG H . 17603 1 562 . 1 1 96 96 ARG HA H 1 3.654 0.001 . 1 . . . . A 96 ARG HA . 17603 1 563 . 1 1 96 96 ARG C C 13 177.841 0.01 . 1 . . . . A 96 ARG C . 17603 1 564 . 1 1 96 96 ARG CA C 13 60.658 0.01 . 1 . . . . A 96 ARG CA . 17603 1 565 . 1 1 96 96 ARG CB C 13 30.511 0.01 . 1 . . . . A 96 ARG CB . 17603 1 566 . 1 1 96 96 ARG N N 15 118.307 0.01 . 1 . . . . A 96 ARG N . 17603 1 567 . 1 1 97 97 ALA H H 1 7.019 0.001 . 1 . . . . A 97 ALA H . 17603 1 568 . 1 1 97 97 ALA HA H 1 3.987 0.001 . 1 . . . . A 97 ALA HA . 17603 1 569 . 1 1 97 97 ALA C C 13 178.768 0.01 . 1 . . . . A 97 ALA C . 17603 1 570 . 1 1 97 97 ALA CA C 13 55.234 0.01 . 1 . . . . A 97 ALA CA . 17603 1 571 . 1 1 97 97 ALA CB C 13 18.254 0.01 . 1 . . . . A 97 ALA CB . 17603 1 572 . 1 1 97 97 ALA N N 15 120.196 0.01 . 1 . . . . A 97 ALA N . 17603 1 573 . 1 1 98 98 ALA H H 1 7.097 0.001 . 1 . . . . A 98 ALA H . 17603 1 574 . 1 1 98 98 ALA HA H 1 3.572 0.001 . 1 . . . . A 98 ALA HA . 17603 1 575 . 1 1 98 98 ALA C C 13 177.328 0.01 . 1 . . . . A 98 ALA C . 17603 1 576 . 1 1 98 98 ALA CA C 13 55.437 0.01 . 1 . . . . A 98 ALA CA . 17603 1 577 . 1 1 98 98 ALA CB C 13 15.893 0.01 . 1 . . . . A 98 ALA CB . 17603 1 578 . 1 1 98 98 ALA N N 15 119.143 0.01 . 1 . . . . A 98 ALA N . 17603 1 579 . 1 1 99 99 ALA H H 1 7.665 0.001 . 1 . . . . A 99 ALA H . 17603 1 580 . 1 1 99 99 ALA HA H 1 3.596 0.001 . 1 . . . . A 99 ALA HA . 17603 1 581 . 1 1 99 99 ALA C C 13 178.026 0.01 . 1 . . . . A 99 ALA C . 17603 1 582 . 1 1 99 99 ALA CA C 13 55.384 0.01 . 1 . . . . A 99 ALA CA . 17603 1 583 . 1 1 99 99 ALA CB C 13 18.417 0.01 . 1 . . . . A 99 ALA CB . 17603 1 584 . 1 1 99 99 ALA N N 15 119.971 0.01 . 1 . . . . A 99 ALA N . 17603 1 585 . 1 1 100 100 ILE H H 1 8.110 0.001 . 1 . . . . A 100 ILE H . 17603 1 586 . 1 1 100 100 ILE HA H 1 3.332 0.001 . 1 . . . . A 100 ILE HA . 17603 1 587 . 1 1 100 100 ILE C C 13 177.103 0.01 . 1 . . . . A 100 ILE C . 17603 1 588 . 1 1 100 100 ILE CA C 13 64.658 0.01 . 1 . . . . A 100 ILE CA . 17603 1 589 . 1 1 100 100 ILE CB C 13 37.011 0.01 . 1 . . . . A 100 ILE CB . 17603 1 590 . 1 1 100 100 ILE N N 15 116.372 0.01 . 1 . . . . A 100 ILE N . 17603 1 591 . 1 1 101 101 ASN H H 1 8.098 0.001 . 1 . . . . A 101 ASN H . 17603 1 592 . 1 1 101 101 ASN HA H 1 3.887 0.001 . 1 . . . . A 101 ASN HA . 17603 1 593 . 1 1 101 101 ASN C C 13 177.350 0.01 . 1 . . . . A 101 ASN C . 17603 1 594 . 1 1 101 101 ASN CA C 13 57.096 0.01 . 1 . . . . A 101 ASN CA . 17603 1 595 . 1 1 101 101 ASN CB C 13 38.922 0.01 . 1 . . . . A 101 ASN CB . 17603 1 596 . 1 1 101 101 ASN N N 15 116.550 0.01 . 1 . . . . A 101 ASN N . 17603 1 597 . 1 1 102 102 MET H H 1 7.647 0.001 . 1 . . . . A 102 MET H . 17603 1 598 . 1 1 102 102 MET HA H 1 3.746 0.001 . 1 . . . . A 102 MET HA . 17603 1 599 . 1 1 102 102 MET C C 13 177.507 0.01 . 1 . . . . A 102 MET C . 17603 1 600 . 1 1 102 102 MET CA C 13 60.473 0.01 . 1 . . . . A 102 MET CA . 17603 1 601 . 1 1 102 102 MET CB C 13 33.218 0.01 . 1 . . . . A 102 MET CB . 17603 1 602 . 1 1 102 102 MET N N 15 114.177 0.01 . 1 . . . . A 102 MET N . 17603 1 603 . 1 1 103 103 VAL H H 1 7.332 0.001 . 1 . . . . A 103 VAL H . 17603 1 604 . 1 1 103 103 VAL HA H 1 4.198 0.001 . 1 . . . . A 103 VAL HA . 17603 1 605 . 1 1 103 103 VAL C C 13 175.893 0.01 . 1 . . . . A 103 VAL C . 17603 1 606 . 1 1 103 103 VAL CA C 13 60.939 0.01 . 1 . . . . A 103 VAL CA . 17603 1 607 . 1 1 103 103 VAL CB C 13 31.098 0.01 . 1 . . . . A 103 VAL CB . 17603 1 608 . 1 1 103 103 VAL N N 15 107.836 0.01 . 1 . . . . A 103 VAL N . 17603 1 609 . 1 1 104 104 PHE H H 1 7.978 0.001 . 1 . . . . A 104 PHE H . 17603 1 610 . 1 1 104 104 PHE HA H 1 4.107 0.001 . 1 . . . . A 104 PHE HA . 17603 1 611 . 1 1 104 104 PHE C C 13 176.884 0.01 . 1 . . . . A 104 PHE C . 17603 1 612 . 1 1 104 104 PHE CA C 13 60.915 0.01 . 1 . . . . A 104 PHE CA . 17603 1 613 . 1 1 104 104 PHE CB C 13 39.768 0.01 . 1 . . . . A 104 PHE CB . 17603 1 614 . 1 1 104 104 PHE N N 15 125.985 0.01 . 1 . . . . A 104 PHE N . 17603 1 615 . 1 1 105 105 GLN H H 1 8.448 0.001 . 1 . . . . A 105 GLN H . 17603 1 616 . 1 1 105 105 GLN HA H 1 3.510 0.001 . 1 . . . . A 105 GLN HA . 17603 1 617 . 1 1 105 105 GLN C C 13 174.976 0.01 . 1 . . . . A 105 GLN C . 17603 1 618 . 1 1 105 105 GLN CA C 13 57.730 0.01 . 1 . . . . A 105 GLN CA . 17603 1 619 . 1 1 105 105 GLN CB C 13 27.304 0.01 . 1 . . . . A 105 GLN CB . 17603 1 620 . 1 1 105 105 GLN N N 15 120.302 0.01 . 1 . . . . A 105 GLN N . 17603 1 621 . 1 1 106 106 MET H H 1 8.987 0.001 . 1 . . . . A 106 MET H . 17603 1 622 . 1 1 106 106 MET HA H 1 4.184 0.001 . 1 . . . . A 106 MET HA . 17603 1 623 . 1 1 106 106 MET C C 13 176.961 0.01 . 1 . . . . A 106 MET C . 17603 1 624 . 1 1 106 106 MET CA C 13 54.873 0.01 . 1 . . . . A 106 MET CA . 17603 1 625 . 1 1 106 106 MET CB C 13 30.057 0.01 . 1 . . . . A 106 MET CB . 17603 1 626 . 1 1 106 106 MET N N 15 117.189 0.01 . 1 . . . . A 106 MET N . 17603 1 627 . 1 1 107 107 GLY H H 1 7.777 0.001 . 1 . . . . A 107 GLY H . 17603 1 628 . 1 1 107 107 GLY HA3 H 1 3.978 0.001 . 1 . . . . A 107 GLY HA3 . 17603 1 629 . 1 1 107 107 GLY C C 13 174.999 0.01 . 1 . . . . A 107 GLY C . 17603 1 630 . 1 1 107 107 GLY CA C 13 46.219 0.01 . 1 . . . . A 107 GLY CA . 17603 1 631 . 1 1 107 107 GLY N N 15 107.787 0.01 . 1 . . . . A 107 GLY N . 17603 1 632 . 1 1 108 108 GLU H H 1 8.779 0.001 . 1 . . . . A 108 GLU H . 17603 1 633 . 1 1 108 108 GLU HA H 1 3.984 0.001 . 1 . . . . A 108 GLU HA . 17603 1 634 . 1 1 108 108 GLU C C 13 179.574 0.01 . 1 . . . . A 108 GLU C . 17603 1 635 . 1 1 108 108 GLU CA C 13 59.944 0.01 . 1 . . . . A 108 GLU CA . 17603 1 636 . 1 1 108 108 GLU CB C 13 29.939 0.01 . 1 . . . . A 108 GLU CB . 17603 1 637 . 1 1 108 108 GLU N N 15 123.604 0.01 . 1 . . . . A 108 GLU N . 17603 1 638 . 1 1 109 109 THR H H 1 8.576 0.001 . 1 . . . . A 109 THR H . 17603 1 639 . 1 1 109 109 THR HA H 1 4.176 0.001 . 1 . . . . A 109 THR HA . 17603 1 640 . 1 1 109 109 THR C C 13 178.459 0.01 . 1 . . . . A 109 THR C . 17603 1 641 . 1 1 109 109 THR CA C 13 65.535 0.01 . 1 . . . . A 109 THR CA . 17603 1 642 . 1 1 109 109 THR CB C 13 67.945 0.01 . 1 . . . . A 109 THR CB . 17603 1 643 . 1 1 109 109 THR N N 15 111.822 0.01 . 1 . . . . A 109 THR N . 17603 1 644 . 1 1 110 110 GLY H H 1 8.521 0.001 . 1 . . . . A 110 GLY H . 17603 1 645 . 1 1 110 110 GLY HA2 H 1 3.105 0.001 . 2 . . . . A 110 GLY HA2 . 17603 1 646 . 1 1 110 110 GLY HA3 H 1 3.801 0.001 . 2 . . . . A 110 GLY HA3 . 17603 1 647 . 1 1 110 110 GLY C C 13 175.653 0.01 . 1 . . . . A 110 GLY C . 17603 1 648 . 1 1 110 110 GLY CA C 13 47.217 0.01 . 1 . . . . A 110 GLY CA . 17603 1 649 . 1 1 110 110 GLY N N 15 115.113 0.01 . 1 . . . . A 110 GLY N . 17603 1 650 . 1 1 111 111 VAL H H 1 8.048 0.001 . 1 . . . . A 111 VAL H . 17603 1 651 . 1 1 111 111 VAL HA H 1 3.521 0.001 . 1 . . . . A 111 VAL HA . 17603 1 652 . 1 1 111 111 VAL C C 13 179.689 0.01 . 1 . . . . A 111 VAL C . 17603 1 653 . 1 1 111 111 VAL CA C 13 67.054 0.01 . 1 . . . . A 111 VAL CA . 17603 1 654 . 1 1 111 111 VAL CB C 13 31.832 0.01 . 1 . . . . A 111 VAL CB . 17603 1 655 . 1 1 111 111 VAL N N 15 120.852 0.01 . 1 . . . . A 111 VAL N . 17603 1 656 . 1 1 112 112 ALA H H 1 8.255 0.001 . 1 . . . . A 112 ALA H . 17603 1 657 . 1 1 112 112 ALA HA H 1 4.142 0.001 . 1 . . . . A 112 ALA HA . 17603 1 658 . 1 1 112 112 ALA C C 13 179.412 0.01 . 1 . . . . A 112 ALA C . 17603 1 659 . 1 1 112 112 ALA CA C 13 55.423 0.01 . 1 . . . . A 112 ALA CA . 17603 1 660 . 1 1 112 112 ALA CB C 13 18.258 0.01 . 1 . . . . A 112 ALA CB . 17603 1 661 . 1 1 112 112 ALA N N 15 124.525 0.01 . 1 . . . . A 112 ALA N . 17603 1 662 . 1 1 113 113 ALA H H 1 7.861 0.001 . 1 . . . . A 113 ALA H . 17603 1 663 . 1 1 113 113 ALA HA H 1 4.182 0.001 . 1 . . . . A 113 ALA HA . 17603 1 664 . 1 1 113 113 ALA C C 13 179.965 0.01 . 1 . . . . A 113 ALA C . 17603 1 665 . 1 1 113 113 ALA CA C 13 54.970 0.01 . 1 . . . . A 113 ALA CA . 17603 1 666 . 1 1 113 113 ALA CB C 13 18.063 0.01 . 1 . . . . A 113 ALA CB . 17603 1 667 . 1 1 113 113 ALA N N 15 120.490 0.01 . 1 . . . . A 113 ALA N . 17603 1 668 . 1 1 114 114 PHE H H 1 8.126 0.001 . 1 . . . . A 114 PHE H . 17603 1 669 . 1 1 114 114 PHE HA H 1 4.057 0.001 . 1 . . . . A 114 PHE HA . 17603 1 670 . 1 1 114 114 PHE C C 13 177.765 0.01 . 1 . . . . A 114 PHE C . 17603 1 671 . 1 1 114 114 PHE CA C 13 59.933 0.01 . 1 . . . . A 114 PHE CA . 17603 1 672 . 1 1 114 114 PHE CB C 13 39.124 0.01 . 1 . . . . A 114 PHE CB . 17603 1 673 . 1 1 114 114 PHE N N 15 120.157 0.01 . 1 . . . . A 114 PHE N . 17603 1 674 . 1 1 115 115 THR H H 1 8.504 0.001 . 1 . . . . A 115 THR H . 17603 1 675 . 1 1 115 115 THR HA H 1 3.470 0.001 . 1 . . . . A 115 THR HA . 17603 1 676 . 1 1 115 115 THR C C 13 176.924 0.01 . 1 . . . . A 115 THR C . 17603 1 677 . 1 1 115 115 THR CA C 13 67.000 0.01 . 1 . . . . A 115 THR CA . 17603 1 678 . 1 1 115 115 THR CB C 13 68.320 0.01 . 1 . . . . A 115 THR CB . 17603 1 679 . 1 1 115 115 THR N N 15 114.478 0.01 . 1 . . . . A 115 THR N . 17603 1 680 . 1 1 116 116 ASN H H 1 8.337 0.001 . 1 . . . . A 116 ASN H . 17603 1 681 . 1 1 116 116 ASN HA H 1 4.500 0.001 . 1 . . . . A 116 ASN HA . 17603 1 682 . 1 1 116 116 ASN C C 13 176.009 0.01 . 1 . . . . A 116 ASN C . 17603 1 683 . 1 1 116 116 ASN CA C 13 57.243 0.01 . 1 . . . . A 116 ASN CA . 17603 1 684 . 1 1 116 116 ASN CB C 13 38.600 0.01 . 1 . . . . A 116 ASN CB . 17603 1 685 . 1 1 116 116 ASN N N 15 119.632 0.01 . 1 . . . . A 116 ASN N . 17603 1 686 . 1 1 117 117 SER H H 1 7.424 0.001 . 1 . . . . A 117 SER H . 17603 1 687 . 1 1 117 117 SER HA H 1 4.590 0.001 . 1 . . . . A 117 SER HA . 17603 1 688 . 1 1 117 117 SER C C 13 174.808 0.01 . 1 . . . . A 117 SER C . 17603 1 689 . 1 1 117 117 SER CA C 13 59.470 0.01 . 1 . . . . A 117 SER CA . 17603 1 690 . 1 1 117 117 SER CB C 13 64.474 0.01 . 1 . . . . A 117 SER CB . 17603 1 691 . 1 1 117 117 SER N N 15 112.765 0.01 . 1 . . . . A 117 SER N . 17603 1 692 . 1 1 118 118 LEU H H 1 7.195 0.001 . 1 . . . . A 118 LEU H . 17603 1 693 . 1 1 118 118 LEU CB C 13 39.650 0.01 . 1 . . . . A 118 LEU CB . 17603 1 694 . 1 1 118 118 LEU N N 15 122.210 0.01 . 1 . . . . A 118 LEU N . 17603 1 695 . 1 1 119 119 PRO HA H 1 4.282 0.001 . 1 . . . . A 119 PRO HA . 17603 1 696 . 1 1 119 119 PRO C C 13 179.207 0.01 . 1 . . . . A 119 PRO C . 17603 1 697 . 1 1 119 119 PRO CA C 13 66.239 0.01 . 1 . . . . A 119 PRO CA . 17603 1 698 . 1 1 119 119 PRO CB C 13 30.970 0.01 . 1 . . . . A 119 PRO CB . 17603 1 699 . 1 1 120 120 MET H H 1 7.126 0.001 . 1 . . . . A 120 MET H . 17603 1 700 . 1 1 120 120 MET HA H 1 4.005 0.001 . 1 . . . . A 120 MET HA . 17603 1 701 . 1 1 120 120 MET C C 13 178.137 0.01 . 1 . . . . A 120 MET C . 17603 1 702 . 1 1 120 120 MET CA C 13 58.747 0.01 . 1 . . . . A 120 MET CA . 17603 1 703 . 1 1 120 120 MET CB C 13 32.510 0.01 . 1 . . . . A 120 MET CB . 17603 1 704 . 1 1 120 120 MET N N 15 112.465 0.01 . 1 . . . . A 120 MET N . 17603 1 705 . 1 1 121 121 LEU H H 1 7.695 0.001 . 1 . . . . A 121 LEU H . 17603 1 706 . 1 1 121 121 LEU HA H 1 3.841 0.001 . 1 . . . . A 121 LEU HA . 17603 1 707 . 1 1 121 121 LEU C C 13 180.140 0.01 . 1 . . . . A 121 LEU C . 17603 1 708 . 1 1 121 121 LEU CA C 13 57.379 0.01 . 1 . . . . A 121 LEU CA . 17603 1 709 . 1 1 121 121 LEU CB C 13 42.137 0.01 . 1 . . . . A 121 LEU CB . 17603 1 710 . 1 1 121 121 LEU N N 15 118.534 0.01 . 1 . . . . A 121 LEU N . 17603 1 711 . 1 1 122 122 GLN H H 1 8.845 0.001 . 1 . . . . A 122 GLN H . 17603 1 712 . 1 1 122 122 GLN HA H 1 3.862 0.001 . 1 . . . . A 122 GLN HA . 17603 1 713 . 1 1 122 122 GLN C C 13 176.722 0.01 . 1 . . . . A 122 GLN C . 17603 1 714 . 1 1 122 122 GLN CA C 13 58.840 0.01 . 1 . . . . A 122 GLN CA . 17603 1 715 . 1 1 122 122 GLN CB C 13 28.791 0.01 . 1 . . . . A 122 GLN CB . 17603 1 716 . 1 1 122 122 GLN N N 15 119.537 0.01 . 1 . . . . A 122 GLN N . 17603 1 717 . 1 1 123 123 GLN H H 1 6.862 0.001 . 1 . . . . A 123 GLN H . 17603 1 718 . 1 1 123 123 GLN HA H 1 4.154 0.001 . 1 . . . . A 123 GLN HA . 17603 1 719 . 1 1 123 123 GLN C C 13 174.075 0.01 . 1 . . . . A 123 GLN C . 17603 1 720 . 1 1 123 123 GLN CA C 13 55.009 0.01 . 1 . . . . A 123 GLN CA . 17603 1 721 . 1 1 123 123 GLN CB C 13 29.733 0.01 . 1 . . . . A 123 GLN CB . 17603 1 722 . 1 1 123 123 GLN N N 15 113.333 0.01 . 1 . . . . A 123 GLN N . 17603 1 723 . 1 1 124 124 LYS H H 1 7.238 0.001 . 1 . . . . A 124 LYS H . 17603 1 724 . 1 1 124 124 LYS HA H 1 4.455 0.001 . 1 . . . . A 124 LYS HA . 17603 1 725 . 1 1 124 124 LYS C C 13 174.727 0.01 . 1 . . . . A 124 LYS C . 17603 1 726 . 1 1 124 124 LYS CA C 13 56.449 0.01 . 1 . . . . A 124 LYS CA . 17603 1 727 . 1 1 124 124 LYS CB C 13 28.383 0.01 . 1 . . . . A 124 LYS CB . 17603 1 728 . 1 1 124 124 LYS N N 15 114.431 0.01 . 1 . . . . A 124 LYS N . 17603 1 729 . 1 1 125 125 ARG H H 1 7.651 0.001 . 1 . . . . A 125 ARG H . 17603 1 730 . 1 1 125 125 ARG HA H 1 4.260 0.001 . 1 . . . . A 125 ARG HA . 17603 1 731 . 1 1 125 125 ARG C C 13 177.251 0.01 . 1 . . . . A 125 ARG C . 17603 1 732 . 1 1 125 125 ARG CA C 13 53.573 0.01 . 1 . . . . A 125 ARG CA . 17603 1 733 . 1 1 125 125 ARG CB C 13 28.211 0.01 . 1 . . . . A 125 ARG CB . 17603 1 734 . 1 1 125 125 ARG N N 15 119.411 0.01 . 1 . . . . A 125 ARG N . 17603 1 735 . 1 1 126 126 TRP H H 1 6.865 0.001 . 1 . . . . A 126 TRP H . 17603 1 736 . 1 1 126 126 TRP HA H 1 4.322 0.001 . 1 . . . . A 126 TRP HA . 17603 1 737 . 1 1 126 126 TRP C C 13 178.830 0.01 . 1 . . . . A 126 TRP C . 17603 1 738 . 1 1 126 126 TRP CA C 13 58.824 0.01 . 1 . . . . A 126 TRP CA . 17603 1 739 . 1 1 126 126 TRP CB C 13 31.461 0.01 . 1 . . . . A 126 TRP CB . 17603 1 740 . 1 1 126 126 TRP N N 15 119.823 0.01 . 1 . . . . A 126 TRP N . 17603 1 741 . 1 1 127 127 ASP H H 1 8.598 0.001 . 1 . . . . A 127 ASP H . 17603 1 742 . 1 1 127 127 ASP HA H 1 4.400 0.001 . 1 . . . . A 127 ASP HA . 17603 1 743 . 1 1 127 127 ASP C C 13 178.748 0.01 . 1 . . . . A 127 ASP C . 17603 1 744 . 1 1 127 127 ASP CA C 13 57.685 0.01 . 1 . . . . A 127 ASP CA . 17603 1 745 . 1 1 127 127 ASP CB C 13 40.047 0.01 . 1 . . . . A 127 ASP CB . 17603 1 746 . 1 1 127 127 ASP N N 15 116.894 0.01 . 1 . . . . A 127 ASP N . 17603 1 747 . 1 1 128 128 GLU H H 1 8.191 0.001 . 1 . . . . A 128 GLU H . 17603 1 748 . 1 1 128 128 GLU HA H 1 3.974 0.001 . 1 . . . . A 128 GLU HA . 17603 1 749 . 1 1 128 128 GLU C C 13 180.057 0.01 . 1 . . . . A 128 GLU C . 17603 1 750 . 1 1 128 128 GLU CA C 13 59.526 0.01 . 1 . . . . A 128 GLU CA . 17603 1 751 . 1 1 128 128 GLU CB C 13 29.871 0.01 . 1 . . . . A 128 GLU CB . 17603 1 752 . 1 1 128 128 GLU N N 15 120.788 0.01 . 1 . . . . A 128 GLU N . 17603 1 753 . 1 1 129 129 ALA H H 1 8.587 0.001 . 1 . . . . A 129 ALA H . 17603 1 754 . 1 1 129 129 ALA HA H 1 3.970 0.001 . 1 . . . . A 129 ALA HA . 17603 1 755 . 1 1 129 129 ALA C C 13 178.495 0.01 . 1 . . . . A 129 ALA C . 17603 1 756 . 1 1 129 129 ALA CA C 13 55.043 0.01 . 1 . . . . A 129 ALA CA . 17603 1 757 . 1 1 129 129 ALA CB C 13 17.771 0.01 . 1 . . . . A 129 ALA CB . 17603 1 758 . 1 1 129 129 ALA N N 15 122.103 0.01 . 1 . . . . A 129 ALA N . 17603 1 759 . 1 1 130 130 ALA H H 1 8.235 0.001 . 1 . . . . A 130 ALA H . 17603 1 760 . 1 1 130 130 ALA HA H 1 4.043 0.001 . 1 . . . . A 130 ALA HA . 17603 1 761 . 1 1 130 130 ALA C C 13 179.804 0.01 . 1 . . . . A 130 ALA C . 17603 1 762 . 1 1 130 130 ALA CA C 13 55.818 0.01 . 1 . . . . A 130 ALA CA . 17603 1 763 . 1 1 130 130 ALA CB C 13 18.896 0.01 . 1 . . . . A 130 ALA CB . 17603 1 764 . 1 1 130 130 ALA N N 15 119.336 0.01 . 1 . . . . A 130 ALA N . 17603 1 765 . 1 1 131 131 VAL H H 1 7.697 0.001 . 1 . . . . A 131 VAL H . 17603 1 766 . 1 1 131 131 VAL HA H 1 3.579 0.001 . 1 . . . . A 131 VAL HA . 17603 1 767 . 1 1 131 131 VAL C C 13 178.078 0.01 . 1 . . . . A 131 VAL C . 17603 1 768 . 1 1 131 131 VAL CA C 13 66.319 0.01 . 1 . . . . A 131 VAL CA . 17603 1 769 . 1 1 131 131 VAL CB C 13 32.135 0.01 . 1 . . . . A 131 VAL CB . 17603 1 770 . 1 1 131 131 VAL N N 15 118.685 0.01 . 1 . . . . A 131 VAL N . 17603 1 771 . 1 1 132 132 ASN H H 1 7.569 0.001 . 1 . . . . A 132 ASN H . 17603 1 772 . 1 1 132 132 ASN HA H 1 4.261 0.001 . 1 . . . . A 132 ASN HA . 17603 1 773 . 1 1 132 132 ASN C C 13 178.965 0.01 . 1 . . . . A 132 ASN C . 17603 1 774 . 1 1 132 132 ASN CA C 13 57.172 0.01 . 1 . . . . A 132 ASN CA . 17603 1 775 . 1 1 132 132 ASN CB C 13 39.798 0.01 . 1 . . . . A 132 ASN CB . 17603 1 776 . 1 1 132 132 ASN N N 15 118.648 0.01 . 1 . . . . A 132 ASN N . 17603 1 777 . 1 1 133 133 LEU H H 1 8.903 0.001 . 1 . . . . A 133 LEU H . 17603 1 778 . 1 1 133 133 LEU HA H 1 4.226 0.001 . 1 . . . . A 133 LEU HA . 17603 1 779 . 1 1 133 133 LEU C C 13 179.956 0.01 . 1 . . . . A 133 LEU C . 17603 1 780 . 1 1 133 133 LEU CA C 13 58.077 0.01 . 1 . . . . A 133 LEU CA . 17603 1 781 . 1 1 133 133 LEU CB C 13 44.013 0.01 . 1 . . . . A 133 LEU CB . 17603 1 782 . 1 1 133 133 LEU N N 15 120.750 0.01 . 1 . . . . A 133 LEU N . 17603 1 783 . 1 1 134 134 ALA H H 1 7.681 0.001 . 1 . . . . A 134 ALA H . 17603 1 784 . 1 1 134 134 ALA HA H 1 3.652 0.001 . 1 . . . . A 134 ALA HA . 17603 1 785 . 1 1 134 134 ALA C C 13 176.582 0.01 . 1 . . . . A 134 ALA C . 17603 1 786 . 1 1 134 134 ALA CA C 13 53.195 0.01 . 1 . . . . A 134 ALA CA . 17603 1 787 . 1 1 134 134 ALA CB C 13 17.536 0.01 . 1 . . . . A 134 ALA CB . 17603 1 788 . 1 1 134 134 ALA N N 15 121.339 0.01 . 1 . . . . A 134 ALA N . 17603 1 789 . 1 1 135 135 LYS H H 1 7.168 0.001 . 1 . . . . A 135 LYS H . 17603 1 790 . 1 1 135 135 LYS HA H 1 4.370 0.001 . 1 . . . . A 135 LYS HA . 17603 1 791 . 1 1 135 135 LYS C C 13 176.573 0.01 . 1 . . . . A 135 LYS C . 17603 1 792 . 1 1 135 135 LYS CA C 13 55.564 0.01 . 1 . . . . A 135 LYS CA . 17603 1 793 . 1 1 135 135 LYS CB C 13 32.696 0.01 . 1 . . . . A 135 LYS CB . 17603 1 794 . 1 1 135 135 LYS N N 15 116.197 0.01 . 1 . . . . A 135 LYS N . 17603 1 795 . 1 1 136 136 SER H H 1 7.546 0.001 . 1 . . . . A 136 SER H . 17603 1 796 . 1 1 136 136 SER HA H 1 4.503 0.001 . 1 . . . . A 136 SER HA . 17603 1 797 . 1 1 136 136 SER C C 13 174.968 0.01 . 1 . . . . A 136 SER C . 17603 1 798 . 1 1 136 136 SER CA C 13 58.565 0.01 . 1 . . . . A 136 SER CA . 17603 1 799 . 1 1 136 136 SER CB C 13 66.690 0.01 . 1 . . . . A 136 SER CB . 17603 1 800 . 1 1 136 136 SER N N 15 115.115 0.01 . 1 . . . . A 136 SER N . 17603 1 801 . 1 1 137 137 ARG H H 1 8.786 0.001 . 1 . . . . A 137 ARG H . 17603 1 802 . 1 1 137 137 ARG HA H 1 4.197 0.001 . 1 . . . . A 137 ARG HA . 17603 1 803 . 1 1 137 137 ARG C C 13 178.570 0.01 . 1 . . . . A 137 ARG C . 17603 1 804 . 1 1 137 137 ARG CA C 13 59.338 0.01 . 1 . . . . A 137 ARG CA . 17603 1 805 . 1 1 137 137 ARG CB C 13 29.792 0.01 . 1 . . . . A 137 ARG CB . 17603 1 806 . 1 1 137 137 ARG N N 15 122.827 0.01 . 1 . . . . A 137 ARG N . 17603 1 807 . 1 1 138 138 TRP H H 1 8.256 0.001 . 1 . . . . A 138 TRP H . 17603 1 808 . 1 1 138 138 TRP HA H 1 4.078 0.001 . 1 . . . . A 138 TRP HA . 17603 1 809 . 1 1 138 138 TRP C C 13 176.101 0.01 . 1 . . . . A 138 TRP C . 17603 1 810 . 1 1 138 138 TRP CA C 13 61.807 0.01 . 1 . . . . A 138 TRP CA . 17603 1 811 . 1 1 138 138 TRP CB C 13 28.775 0.01 . 1 . . . . A 138 TRP CB . 17603 1 812 . 1 1 138 138 TRP N N 15 119.297 0.01 . 1 . . . . A 138 TRP N . 17603 1 813 . 1 1 139 139 TYR H H 1 7.786 0.001 . 1 . . . . A 139 TYR H . 17603 1 814 . 1 1 139 139 TYR HA H 1 3.116 0.001 . 1 . . . . A 139 TYR HA . 17603 1 815 . 1 1 139 139 TYR C C 13 175.615 0.01 . 1 . . . . A 139 TYR C . 17603 1 816 . 1 1 139 139 TYR CA C 13 60.801 0.01 . 1 . . . . A 139 TYR CA . 17603 1 817 . 1 1 139 139 TYR CB C 13 38.816 0.01 . 1 . . . . A 139 TYR CB . 17603 1 818 . 1 1 139 139 TYR N N 15 117.950 0.01 . 1 . . . . A 139 TYR N . 17603 1 819 . 1 1 140 140 ASN H H 1 7.115 0.001 . 1 . . . . A 140 ASN H . 17603 1 820 . 1 1 140 140 ASN HA H 1 4.251 0.001 . 1 . . . . A 140 ASN HA . 17603 1 821 . 1 1 140 140 ASN C C 13 176.804 0.01 . 1 . . . . A 140 ASN C . 17603 1 822 . 1 1 140 140 ASN CA C 13 55.359 0.01 . 1 . . . . A 140 ASN CA . 17603 1 823 . 1 1 140 140 ASN CB C 13 39.590 0.01 . 1 . . . . A 140 ASN CB . 17603 1 824 . 1 1 140 140 ASN N N 15 111.511 0.01 . 1 . . . . A 140 ASN N . 17603 1 825 . 1 1 141 141 GLN H H 1 7.855 0.001 . 1 . . . . A 141 GLN H . 17603 1 826 . 1 1 141 141 GLN HA H 1 4.113 0.001 . 1 . . . . A 141 GLN HA . 17603 1 827 . 1 1 141 141 GLN CA C 13 57.729 0.01 . 1 . . . . A 141 GLN CA . 17603 1 828 . 1 1 141 141 GLN CB C 13 29.647 0.01 . 1 . . . . A 141 GLN CB . 17603 1 829 . 1 1 141 141 GLN N N 15 117.466 0.01 . 1 . . . . A 141 GLN N . 17603 1 830 . 1 1 142 142 THR H H 1 6.964 0.001 . 1 . . . . A 142 THR H . 17603 1 831 . 1 1 142 142 THR CA C 13 56.326 0.01 . 1 . . . . A 142 THR CA . 17603 1 832 . 1 1 142 142 THR CB C 13 69.490 0.01 . 1 . . . . A 142 THR CB . 17603 1 833 . 1 1 142 142 THR N N 15 110.630 0.01 . 1 . . . . A 142 THR N . 17603 1 834 . 1 1 143 143 PRO HA H 1 3.661 0.001 . 1 . . . . A 143 PRO HA . 17603 1 835 . 1 1 143 143 PRO C C 13 178.494 0.01 . 1 . . . . A 143 PRO C . 17603 1 836 . 1 1 143 143 PRO CA C 13 65.612 0.01 . 1 . . . . A 143 PRO CA . 17603 1 837 . 1 1 143 143 PRO CB C 13 31.872 0.01 . 1 . . . . A 143 PRO CB . 17603 1 838 . 1 1 144 144 ASN H H 1 7.971 0.001 . 1 . . . . A 144 ASN H . 17603 1 839 . 1 1 144 144 ASN HA H 1 4.315 0.001 . 1 . . . . A 144 ASN HA . 17603 1 840 . 1 1 144 144 ASN C C 13 177.341 0.01 . 1 . . . . A 144 ASN C . 17603 1 841 . 1 1 144 144 ASN CA C 13 56.668 0.01 . 1 . . . . A 144 ASN CA . 17603 1 842 . 1 1 144 144 ASN CB C 13 37.666 0.01 . 1 . . . . A 144 ASN CB . 17603 1 843 . 1 1 144 144 ASN N N 15 116.334 0.01 . 1 . . . . A 144 ASN N . 17603 1 844 . 1 1 145 145 ARG H H 1 7.750 0.001 . 1 . . . . A 145 ARG H . 17603 1 845 . 1 1 145 145 ARG HA H 1 3.930 0.001 . 1 . . . . A 145 ARG HA . 17603 1 846 . 1 1 145 145 ARG C C 13 177.087 0.01 . 1 . . . . A 145 ARG C . 17603 1 847 . 1 1 145 145 ARG CA C 13 58.135 0.01 . 1 . . . . A 145 ARG CA . 17603 1 848 . 1 1 145 145 ARG CB C 13 31.455 0.01 . 1 . . . . A 145 ARG CB . 17603 1 849 . 1 1 145 145 ARG N N 15 121.642 0.01 . 1 . . . . A 145 ARG N . 17603 1 850 . 1 1 146 146 ALA H H 1 8.429 0.001 . 1 . . . . A 146 ALA H . 17603 1 851 . 1 1 146 146 ALA HA H 1 3.858 0.001 . 1 . . . . A 146 ALA HA . 17603 1 852 . 1 1 146 146 ALA C C 13 179.664 0.01 . 1 . . . . A 146 ALA C . 17603 1 853 . 1 1 146 146 ALA CA C 13 55.541 0.01 . 1 . . . . A 146 ALA CA . 17603 1 854 . 1 1 146 146 ALA CB C 13 20.015 0.01 . 1 . . . . A 146 ALA CB . 17603 1 855 . 1 1 146 146 ALA N N 15 119.316 0.01 . 1 . . . . A 146 ALA N . 17603 1 856 . 1 1 147 147 LYS H H 1 8.253 0.001 . 1 . . . . A 147 LYS H . 17603 1 857 . 1 1 147 147 LYS HA H 1 4.041 0.001 . 1 . . . . A 147 LYS HA . 17603 1 858 . 1 1 147 147 LYS C C 13 179.974 0.01 . 1 . . . . A 147 LYS C . 17603 1 859 . 1 1 147 147 LYS CA C 13 60.729 0.01 . 1 . . . . A 147 LYS CA . 17603 1 860 . 1 1 147 147 LYS CB C 13 32.788 0.01 . 1 . . . . A 147 LYS CB . 17603 1 861 . 1 1 147 147 LYS N N 15 116.714 0.01 . 1 . . . . A 147 LYS N . 17603 1 862 . 1 1 148 148 ARG H H 1 7.279 0.001 . 1 . . . . A 148 ARG H . 17603 1 863 . 1 1 148 148 ARG HA H 1 3.833 0.001 . 1 . . . . A 148 ARG HA . 17603 1 864 . 1 1 148 148 ARG C C 13 180.146 0.01 . 1 . . . . A 148 ARG C . 17603 1 865 . 1 1 148 148 ARG CA C 13 60.793 0.01 . 1 . . . . A 148 ARG CA . 17603 1 866 . 1 1 148 148 ARG CB C 13 30.238 0.01 . 1 . . . . A 148 ARG CB . 17603 1 867 . 1 1 148 148 ARG N N 15 119.234 0.01 . 1 . . . . A 148 ARG N . 17603 1 868 . 1 1 149 149 VAL H H 1 8.816 0.001 . 1 . . . . A 149 VAL H . 17603 1 869 . 1 1 149 149 VAL HA H 1 3.457 0.001 . 1 . . . . A 149 VAL HA . 17603 1 870 . 1 1 149 149 VAL C C 13 178.460 0.01 . 1 . . . . A 149 VAL C . 17603 1 871 . 1 1 149 149 VAL CA C 13 68.168 0.01 . 1 . . . . A 149 VAL CA . 17603 1 872 . 1 1 149 149 VAL CB C 13 32.455 0.01 . 1 . . . . A 149 VAL CB . 17603 1 873 . 1 1 149 149 VAL N N 15 125.307 0.01 . 1 . . . . A 149 VAL N . 17603 1 874 . 1 1 150 150 ILE H H 1 9.547 0.001 . 1 . . . . A 150 ILE H . 17603 1 875 . 1 1 150 150 ILE HA H 1 3.886 0.001 . 1 . . . . A 150 ILE HA . 17603 1 876 . 1 1 150 150 ILE C C 13 178.378 0.01 . 1 . . . . A 150 ILE C . 17603 1 877 . 1 1 150 150 ILE CA C 13 67.368 0.01 . 1 . . . . A 150 ILE CA . 17603 1 878 . 1 1 150 150 ILE CB C 13 37.699 0.01 . 1 . . . . A 150 ILE CB . 17603 1 879 . 1 1 150 150 ILE N N 15 121.097 0.01 . 1 . . . . A 150 ILE N . 17603 1 880 . 1 1 151 151 THR H H 1 8.444 0.001 . 1 . . . . A 151 THR H . 17603 1 881 . 1 1 151 151 THR HA H 1 3.933 0.001 . 1 . . . . A 151 THR HA . 17603 1 882 . 1 1 151 151 THR C C 13 176.283 0.01 . 1 . . . . A 151 THR C . 17603 1 883 . 1 1 151 151 THR CA C 13 67.403 0.01 . 1 . . . . A 151 THR CA . 17603 1 884 . 1 1 151 151 THR CB C 13 68.172 0.01 . 1 . . . . A 151 THR CB . 17603 1 885 . 1 1 151 151 THR N N 15 117.959 0.01 . 1 . . . . A 151 THR N . 17603 1 886 . 1 1 152 152 THR H H 1 7.964 0.001 . 1 . . . . A 152 THR H . 17603 1 887 . 1 1 152 152 THR HA H 1 3.944 0.001 . 1 . . . . A 152 THR HA . 17603 1 888 . 1 1 152 152 THR C C 13 176.671 0.01 . 1 . . . . A 152 THR C . 17603 1 889 . 1 1 152 152 THR CA C 13 67.498 0.01 . 1 . . . . A 152 THR CA . 17603 1 890 . 1 1 152 152 THR N N 15 122.010 0.01 . 1 . . . . A 152 THR N . 17603 1 891 . 1 1 153 153 PHE H H 1 8.375 0.001 . 1 . . . . A 153 PHE H . 17603 1 892 . 1 1 153 153 PHE HA H 1 3.953 0.001 . 1 . . . . A 153 PHE HA . 17603 1 893 . 1 1 153 153 PHE C C 13 178.321 0.01 . 1 . . . . A 153 PHE C . 17603 1 894 . 1 1 153 153 PHE CA C 13 62.709 0.01 . 1 . . . . A 153 PHE CA . 17603 1 895 . 1 1 153 153 PHE CB C 13 39.340 0.01 . 1 . . . . A 153 PHE CB . 17603 1 896 . 1 1 153 153 PHE N N 15 120.387 0.01 . 1 . . . . A 153 PHE N . 17603 1 897 . 1 1 154 154 ARG H H 1 8.795 0.001 . 1 . . . . A 154 ARG H . 17603 1 898 . 1 1 154 154 ARG HA H 1 4.070 0.001 . 1 . . . . A 154 ARG HA . 17603 1 899 . 1 1 154 154 ARG C C 13 178.076 0.01 . 1 . . . . A 154 ARG C . 17603 1 900 . 1 1 154 154 ARG CA C 13 60.362 0.01 . 1 . . . . A 154 ARG CA . 17603 1 901 . 1 1 154 154 ARG CB C 13 31.546 0.01 . 1 . . . . A 154 ARG CB . 17603 1 902 . 1 1 154 154 ARG N N 15 118.015 0.01 . 1 . . . . A 154 ARG N . 17603 1 903 . 1 1 155 155 THR H H 1 8.169 0.001 . 1 . . . . A 155 THR H . 17603 1 904 . 1 1 155 155 THR HA H 1 4.252 0.001 . 1 . . . . A 155 THR HA . 17603 1 905 . 1 1 155 155 THR C C 13 176.765 0.01 . 1 . . . . A 155 THR C . 17603 1 906 . 1 1 155 155 THR CA C 13 62.470 0.01 . 1 . . . . A 155 THR CA . 17603 1 907 . 1 1 155 155 THR CB C 13 71.330 0.01 . 1 . . . . A 155 THR CB . 17603 1 908 . 1 1 155 155 THR N N 15 104.622 0.01 . 1 . . . . A 155 THR N . 17603 1 909 . 1 1 156 156 GLY H H 1 8.491 0.001 . 1 . . . . A 156 GLY H . 17603 1 910 . 1 1 156 156 GLY HA2 H 1 3.648 0.001 . 2 . . . . A 156 GLY HA2 . 17603 1 911 . 1 1 156 156 GLY HA3 H 1 3.061 0.001 . 2 . . . . A 156 GLY HA3 . 17603 1 912 . 1 1 156 156 GLY C C 13 172.933 0.01 . 1 . . . . A 156 GLY C . 17603 1 913 . 1 1 156 156 GLY CA C 13 46.167 0.01 . 1 . . . . A 156 GLY CA . 17603 1 914 . 1 1 156 156 GLY N N 15 111.689 0.01 . 1 . . . . A 156 GLY N . 17603 1 915 . 1 1 157 157 THR H H 1 7.603 0.001 . 1 . . . . A 157 THR H . 17603 1 916 . 1 1 157 157 THR HA H 1 4.637 0.001 . 1 . . . . A 157 THR HA . 17603 1 917 . 1 1 157 157 THR C C 13 174.086 0.01 . 1 . . . . A 157 THR C . 17603 1 918 . 1 1 157 157 THR CA C 13 58.748 0.01 . 1 . . . . A 157 THR CA . 17603 1 919 . 1 1 157 157 THR CB C 13 72.418 0.01 . 1 . . . . A 157 THR CB . 17603 1 920 . 1 1 157 157 THR N N 15 108.301 0.01 . 1 . . . . A 157 THR N . 17603 1 921 . 1 1 158 158 TRP H H 1 8.602 0.001 . 1 . . . . A 158 TRP H . 17603 1 922 . 1 1 158 158 TRP HA H 1 5.064 0.001 . 1 . . . . A 158 TRP HA . 17603 1 923 . 1 1 158 158 TRP C C 13 177.922 0.01 . 1 . . . . A 158 TRP C . 17603 1 924 . 1 1 158 158 TRP CA C 13 56.346 0.01 . 1 . . . . A 158 TRP CA . 17603 1 925 . 1 1 158 158 TRP CB C 13 29.779 0.01 . 1 . . . . A 158 TRP CB . 17603 1 926 . 1 1 158 158 TRP N N 15 118.038 0.01 . 1 . . . . A 158 TRP N . 17603 1 927 . 1 1 159 159 ASP H H 1 7.909 0.001 . 1 . . . . A 159 ASP H . 17603 1 928 . 1 1 159 159 ASP HA H 1 4.193 0.001 . 1 . . . . A 159 ASP HA . 17603 1 929 . 1 1 159 159 ASP C C 13 177.407 0.01 . 1 . . . . A 159 ASP C . 17603 1 930 . 1 1 159 159 ASP CA C 13 58.779 0.01 . 1 . . . . A 159 ASP CA . 17603 1 931 . 1 1 159 159 ASP CB C 13 40.674 0.01 . 1 . . . . A 159 ASP CB . 17603 1 932 . 1 1 159 159 ASP N N 15 119.620 0.01 . 1 . . . . A 159 ASP N . 17603 1 933 . 1 1 160 160 ALA H H 1 9.187 0.001 . 1 . . . . A 160 ALA H . 17603 1 934 . 1 1 160 160 ALA HA H 1 4.201 0.001 . 1 . . . . A 160 ALA HA . 17603 1 935 . 1 1 160 160 ALA C C 13 177.362 0.01 . 1 . . . . A 160 ALA C . 17603 1 936 . 1 1 160 160 ALA CA C 13 53.729 0.01 . 1 . . . . A 160 ALA CA . 17603 1 937 . 1 1 160 160 ALA CB C 13 18.618 0.01 . 1 . . . . A 160 ALA CB . 17603 1 938 . 1 1 160 160 ALA N N 15 119.985 0.01 . 1 . . . . A 160 ALA N . 17603 1 939 . 1 1 161 161 TYR H H 1 8.061 0.001 . 1 . . . . A 161 TYR H . 17603 1 940 . 1 1 161 161 TYR HA H 1 4.247 0.001 . 1 . . . . A 161 TYR HA . 17603 1 941 . 1 1 161 161 TYR C C 13 175.125 0.01 . 1 . . . . A 161 TYR C . 17603 1 942 . 1 1 161 161 TYR CA C 13 58.909 0.01 . 1 . . . . A 161 TYR CA . 17603 1 943 . 1 1 161 161 TYR CB C 13 39.856 0.01 . 1 . . . . A 161 TYR CB . 17603 1 944 . 1 1 161 161 TYR N N 15 113.735 0.01 . 1 . . . . A 161 TYR N . 17603 1 945 . 1 1 162 162 LYS H H 1 7.262 0.001 . 1 . . . . A 162 LYS H . 17603 1 946 . 1 1 162 162 LYS HA H 1 4.149 0.001 . 1 . . . . A 162 LYS HA . 17603 1 947 . 1 1 162 162 LYS C C 13 176.030 0.01 . 1 . . . . A 162 LYS C . 17603 1 948 . 1 1 162 162 LYS CA C 13 57.458 0.01 . 1 . . . . A 162 LYS CA . 17603 1 949 . 1 1 162 162 LYS CB C 13 29.128 0.01 . 1 . . . . A 162 LYS CB . 17603 1 950 . 1 1 162 162 LYS N N 15 119.491 0.01 . 1 . . . . A 162 LYS N . 17603 1 951 . 1 1 163 163 ASN H H 1 8.457 0.001 . 1 . . . . A 163 ASN H . 17603 1 952 . 1 1 163 163 ASN HA H 1 4.590 0.001 . 1 . . . . A 163 ASN HA . 17603 1 953 . 1 1 163 163 ASN C C 13 173.691 0.01 . 1 . . . . A 163 ASN C . 17603 1 954 . 1 1 163 163 ASN CA C 13 53.884 0.01 . 1 . . . . A 163 ASN CA . 17603 1 955 . 1 1 163 163 ASN CB C 13 38.142 0.01 . 1 . . . . A 163 ASN CB . 17603 1 956 . 1 1 163 163 ASN N N 15 117.131 0.01 . 1 . . . . A 163 ASN N . 17603 1 957 . 1 1 164 164 LEU H H 1 7.401 0.001 . 1 . . . . A 164 LEU H . 17603 1 958 . 1 1 164 164 LEU CA C 13 56.418 0.01 . 1 . . . . A 164 LEU CA . 17603 1 959 . 1 1 164 164 LEU CB C 13 43.449 0.01 . 1 . . . . A 164 LEU CB . 17603 1 960 . 1 1 164 164 LEU N N 15 125.990 0.01 . 1 . . . . A 164 LEU N . 17603 1 stop_ save_