data_18712 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18712 _Entry.Title ; b-flap domain of RNA polymerase (B. subtilis) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-12 _Entry.Accession_date 2012-09-12 _Entry.Last_release_date 2014-03-10 _Entry.Original_release_date 2014-03-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Mehdi Mobli . . . 18712 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' . 18712 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'B. subtilis' . 18712 'Non-uniform sampling' . 18712 'RNA Polymerase' . 18712 Transcription . 18712 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18712 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 409 18712 '15N chemical shifts' 138 18712 '1H chemical shifts' 902 18712 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-03-10 2012-09-12 original author . 18712 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18712 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NusA binding to the b-flap tip of RNA polymerase determined by NMR.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mehdi Mobli . . . 18712 1 2 Xiao Yang . . . 18712 1 3 Cong Ma . . . 18712 1 4 Rhiannon Thomas . . . 18712 1 5 Glenn King . . . 18712 1 6 Peter Lewis . . . 18712 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18712 _Assembly.ID 1 _Assembly.Name 'b-flap domain of RNA polymerase (B. subtilis)' _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 'b-flap domain of RNA polymerase (B. subtilis)' 1 $b-flap A . yes native no no . . . 18712 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_b-flap _Entity.Sf_category entity _Entity.Sf_framecode b-flap _Entity.Entry_ID 18712 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name b-flap _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 ; MDDVYTSIHIEEYESEARDT KLGPEEITRDIPNVGEDALR NLDDRGVIRIGAEVKDGDLL VGKVTPKGVTELTAEERLLH AIFGEKAREVRDTSLRVPHG GGGIIHDVKVFNREDGDELP PGVNQLVRVYIVQKRKISEG DGTHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 149 _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 15446.424 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LY7 . "B-flap Domain Of Rna Polymerase (b. Subtilis)" . . . . . 100.00 149 100.00 100.00 3.31e-99 . . . . 18712 1 2 no GB AFQ00666 . "RNA polymerase beta-subunit, partial [Bacillus altitudinis]" . . . . . 90.60 385 98.52 100.00 2.72e-85 . . . . 18712 1 3 no GB AFQ00667 . "RNA polymerase beta-subunit, partial [Bacillus pumilus]" . . . . . 90.60 385 98.52 100.00 1.78e-85 . . . . 18712 1 4 no GB AGO57771 . "DNA-directed RNA polymerase subunit beta, partial [Bacillus licheniformis]" . . . . . 87.25 299 96.92 99.23 3.40e-81 . . . . 18712 1 5 no GB AHZ90577 . "RNA polymerase beta-subunit, partial [Bacillus altitudinis]" . . . . . 82.55 373 98.37 100.00 1.79e-76 . . . . 18712 1 6 no GB AHZ90582 . "RNA polymerase beta-subunit, partial [Bacillus pumilus]" . . . . . 90.60 385 98.52 100.00 1.78e-85 . . . . 18712 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18712 1 2 . ASP . 18712 1 3 . ASP . 18712 1 4 . VAL . 18712 1 5 . TYR . 18712 1 6 . THR . 18712 1 7 . SER . 18712 1 8 . ILE . 18712 1 9 . HIS . 18712 1 10 . ILE . 18712 1 11 . GLU . 18712 1 12 . GLU . 18712 1 13 . TYR . 18712 1 14 . GLU . 18712 1 15 . SER . 18712 1 16 . GLU . 18712 1 17 . ALA . 18712 1 18 . ARG . 18712 1 19 . ASP . 18712 1 20 . THR . 18712 1 21 . LYS . 18712 1 22 . LEU . 18712 1 23 . GLY . 18712 1 24 . PRO . 18712 1 25 . GLU . 18712 1 26 . GLU . 18712 1 27 . ILE . 18712 1 28 . THR . 18712 1 29 . ARG . 18712 1 30 . ASP . 18712 1 31 . ILE . 18712 1 32 . PRO . 18712 1 33 . ASN . 18712 1 34 . VAL . 18712 1 35 . GLY . 18712 1 36 . GLU . 18712 1 37 . ASP . 18712 1 38 . ALA . 18712 1 39 . LEU . 18712 1 40 . ARG . 18712 1 41 . ASN . 18712 1 42 . LEU . 18712 1 43 . ASP . 18712 1 44 . ASP . 18712 1 45 . ARG . 18712 1 46 . GLY . 18712 1 47 . VAL . 18712 1 48 . ILE . 18712 1 49 . ARG . 18712 1 50 . ILE . 18712 1 51 . GLY . 18712 1 52 . ALA . 18712 1 53 . GLU . 18712 1 54 . VAL . 18712 1 55 . LYS . 18712 1 56 . ASP . 18712 1 57 . GLY . 18712 1 58 . ASP . 18712 1 59 . LEU . 18712 1 60 . LEU . 18712 1 61 . VAL . 18712 1 62 . GLY . 18712 1 63 . LYS . 18712 1 64 . VAL . 18712 1 65 . THR . 18712 1 66 . PRO . 18712 1 67 . LYS . 18712 1 68 . GLY . 18712 1 69 . VAL . 18712 1 70 . THR . 18712 1 71 . GLU . 18712 1 72 . LEU . 18712 1 73 . THR . 18712 1 74 . ALA . 18712 1 75 . GLU . 18712 1 76 . GLU . 18712 1 77 . ARG . 18712 1 78 . LEU . 18712 1 79 . LEU . 18712 1 80 . HIS . 18712 1 81 . ALA . 18712 1 82 . ILE . 18712 1 83 . PHE . 18712 1 84 . GLY . 18712 1 85 . GLU . 18712 1 86 . LYS . 18712 1 87 . ALA . 18712 1 88 . ARG . 18712 1 89 . GLU . 18712 1 90 . VAL . 18712 1 91 . ARG . 18712 1 92 . ASP . 18712 1 93 . THR . 18712 1 94 . SER . 18712 1 95 . LEU . 18712 1 96 . ARG . 18712 1 97 . VAL . 18712 1 98 . PRO . 18712 1 99 . HIS . 18712 1 100 . GLY . 18712 1 101 . GLY . 18712 1 102 . GLY . 18712 1 103 . GLY . 18712 1 104 . ILE . 18712 1 105 . ILE . 18712 1 106 . HIS . 18712 1 107 . ASP . 18712 1 108 . VAL . 18712 1 109 . LYS . 18712 1 110 . VAL . 18712 1 111 . PHE . 18712 1 112 . ASN . 18712 1 113 . ARG . 18712 1 114 . GLU . 18712 1 115 . ASP . 18712 1 116 . GLY . 18712 1 117 . ASP . 18712 1 118 . GLU . 18712 1 119 . LEU . 18712 1 120 . PRO . 18712 1 121 . PRO . 18712 1 122 . GLY . 18712 1 123 . VAL . 18712 1 124 . ASN . 18712 1 125 . GLN . 18712 1 126 . LEU . 18712 1 127 . VAL . 18712 1 128 . ARG . 18712 1 129 . VAL . 18712 1 130 . TYR . 18712 1 131 . ILE . 18712 1 132 . VAL . 18712 1 133 . GLN . 18712 1 134 . LYS . 18712 1 135 . ARG . 18712 1 136 . LYS . 18712 1 137 . ILE . 18712 1 138 . SER . 18712 1 139 . GLU . 18712 1 140 . GLY . 18712 1 141 . ASP . 18712 1 142 . GLY . 18712 1 143 . THR . 18712 1 144 . HIS . 18712 1 145 . HIS . 18712 1 146 . HIS . 18712 1 147 . HIS . 18712 1 148 . HIS . 18712 1 149 . HIS . 18712 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 18712 1 . ASP 2 2 18712 1 . ASP 3 3 18712 1 . VAL 4 4 18712 1 . TYR 5 5 18712 1 . THR 6 6 18712 1 . SER 7 7 18712 1 . ILE 8 8 18712 1 . HIS 9 9 18712 1 . ILE 10 10 18712 1 . GLU 11 11 18712 1 . GLU 12 12 18712 1 . TYR 13 13 18712 1 . GLU 14 14 18712 1 . SER 15 15 18712 1 . GLU 16 16 18712 1 . ALA 17 17 18712 1 . ARG 18 18 18712 1 . ASP 19 19 18712 1 . THR 20 20 18712 1 . LYS 21 21 18712 1 . LEU 22 22 18712 1 . GLY 23 23 18712 1 . PRO 24 24 18712 1 . GLU 25 25 18712 1 . GLU 26 26 18712 1 . ILE 27 27 18712 1 . THR 28 28 18712 1 . ARG 29 29 18712 1 . ASP 30 30 18712 1 . ILE 31 31 18712 1 . PRO 32 32 18712 1 . ASN 33 33 18712 1 . VAL 34 34 18712 1 . GLY 35 35 18712 1 . GLU 36 36 18712 1 . ASP 37 37 18712 1 . ALA 38 38 18712 1 . LEU 39 39 18712 1 . ARG 40 40 18712 1 . ASN 41 41 18712 1 . LEU 42 42 18712 1 . ASP 43 43 18712 1 . ASP 44 44 18712 1 . ARG 45 45 18712 1 . GLY 46 46 18712 1 . VAL 47 47 18712 1 . ILE 48 48 18712 1 . ARG 49 49 18712 1 . ILE 50 50 18712 1 . GLY 51 51 18712 1 . ALA 52 52 18712 1 . GLU 53 53 18712 1 . VAL 54 54 18712 1 . LYS 55 55 18712 1 . ASP 56 56 18712 1 . GLY 57 57 18712 1 . ASP 58 58 18712 1 . LEU 59 59 18712 1 . LEU 60 60 18712 1 . VAL 61 61 18712 1 . GLY 62 62 18712 1 . LYS 63 63 18712 1 . VAL 64 64 18712 1 . THR 65 65 18712 1 . PRO 66 66 18712 1 . LYS 67 67 18712 1 . GLY 68 68 18712 1 . VAL 69 69 18712 1 . THR 70 70 18712 1 . GLU 71 71 18712 1 . LEU 72 72 18712 1 . THR 73 73 18712 1 . ALA 74 74 18712 1 . GLU 75 75 18712 1 . GLU 76 76 18712 1 . ARG 77 77 18712 1 . LEU 78 78 18712 1 . LEU 79 79 18712 1 . HIS 80 80 18712 1 . ALA 81 81 18712 1 . ILE 82 82 18712 1 . PHE 83 83 18712 1 . GLY 84 84 18712 1 . GLU 85 85 18712 1 . LYS 86 86 18712 1 . ALA 87 87 18712 1 . ARG 88 88 18712 1 . GLU 89 89 18712 1 . VAL 90 90 18712 1 . ARG 91 91 18712 1 . ASP 92 92 18712 1 . THR 93 93 18712 1 . SER 94 94 18712 1 . LEU 95 95 18712 1 . ARG 96 96 18712 1 . VAL 97 97 18712 1 . PRO 98 98 18712 1 . HIS 99 99 18712 1 . GLY 100 100 18712 1 . GLY 101 101 18712 1 . GLY 102 102 18712 1 . GLY 103 103 18712 1 . ILE 104 104 18712 1 . ILE 105 105 18712 1 . HIS 106 106 18712 1 . ASP 107 107 18712 1 . VAL 108 108 18712 1 . LYS 109 109 18712 1 . VAL 110 110 18712 1 . PHE 111 111 18712 1 . ASN 112 112 18712 1 . ARG 113 113 18712 1 . GLU 114 114 18712 1 . ASP 115 115 18712 1 . GLY 116 116 18712 1 . ASP 117 117 18712 1 . GLU 118 118 18712 1 . LEU 119 119 18712 1 . PRO 120 120 18712 1 . PRO 121 121 18712 1 . GLY 122 122 18712 1 . VAL 123 123 18712 1 . ASN 124 124 18712 1 . GLN 125 125 18712 1 . LEU 126 126 18712 1 . VAL 127 127 18712 1 . ARG 128 128 18712 1 . VAL 129 129 18712 1 . TYR 130 130 18712 1 . ILE 131 131 18712 1 . VAL 132 132 18712 1 . GLN 133 133 18712 1 . LYS 134 134 18712 1 . ARG 135 135 18712 1 . LYS 136 136 18712 1 . ILE 137 137 18712 1 . SER 138 138 18712 1 . GLU 139 139 18712 1 . GLY 140 140 18712 1 . ASP 141 141 18712 1 . GLY 142 142 18712 1 . THR 143 143 18712 1 . HIS 144 144 18712 1 . HIS 145 145 18712 1 . HIS 146 146 18712 1 . HIS 147 147 18712 1 . HIS 148 148 18712 1 . HIS 149 149 18712 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 18712 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $b-flap . 1423 organism . 'Bacillus subtilis' 'B. subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 18712 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 18712 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $b-flap . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET . . . . . . 18712 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18712 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 b-flap '[U-100% 13C; U-100% 15N]' . . 1 $b-flap . . 500 . . uM 50 . . . 18712 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18712 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18712 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18712 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18712 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 18712 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 18712 1 pressure 1 . atm 18712 1 temperature 298 . K 18712 1 stop_ save_ ############################ # Computer software used # ############################ save_RNMRTK _Software.Sf_category software _Software.Sf_framecode RNMRTK _Software.Entry_ID 18712 _Software.ID 1 _Software.Name RNMRTK _Software.Version 3 _Software.Details 'Rowland NMR Toolkit' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Jeff Hoch, Alan Stern' . . 18712 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18712 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18712 _Software.ID 2 _Software.Name TALOS _Software.Version + _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18712 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Dihedral angle generation' 18712 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18712 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18712 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18712 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18712 _Software.ID 4 _Software.Name CYANA _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18712 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18712 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 18712 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details +Cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 18712 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 +Cryoprobe . . 18712 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 18712 _Experiment_list.ID 1 _Experiment_list.Details 'All experiments except the NOESY experiments were acquired using non-uniform sampling' 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 . . . . . . . . . . . . . . . . 18712 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18712 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18712 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18712 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18712 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18712 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18712 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18712 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18712 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18712 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 18712 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'data was reference to water at 4.773 and 13c and 15n via appropriate ratios (iupac for biomolecules).' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . . . . . 18712 1 H 1 water protons . . . . ppm 4.773 internal direct 1.000000000 . . . . . . . . . 18712 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . . . . . 18712 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 18712 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '3D HNCO' . . . 18712 1 8 '3D 1H-13C NOESY aliphatic' . . . 18712 1 9 '3D 1H-13C NOESY aromatic' . . . 18712 1 10 '3D 1H-15N NOESY' . . . 18712 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ASP H H 1 8.423 0.000 . . . . . A 3 ASP H . 18712 1 2 . 1 1 3 3 ASP HA H 1 4.583 0.000 . . . . . A 3 ASP HA . 18712 1 3 . 1 1 3 3 ASP HB2 H 1 2.619 0.000 . . . . . A 3 ASP HB2 . 18712 1 4 . 1 1 3 3 ASP HB3 H 1 2.619 0.000 . . . . . A 3 ASP HB3 . 18712 1 5 . 1 1 3 3 ASP CA C 13 54.765 0.000 . . . . . A 3 ASP CA . 18712 1 6 . 1 1 3 3 ASP CB C 13 41.406 0.000 . . . . . A 3 ASP CB . 18712 1 7 . 1 1 3 3 ASP N N 15 120.809 0.000 . . . . . A 3 ASP N . 18712 1 8 . 1 1 4 4 VAL H H 1 7.998 0.000 . . . . . A 4 VAL H . 18712 1 9 . 1 1 4 4 VAL HA H 1 4.070 0.000 . . . . . A 4 VAL HA . 18712 1 10 . 1 1 4 4 VAL HB H 1 1.978 0.000 . . . . . A 4 VAL HB . 18712 1 11 . 1 1 4 4 VAL HG11 H 1 0.772 0.000 . . . . . A 4 VAL HG11 . 18712 1 12 . 1 1 4 4 VAL HG12 H 1 0.772 0.000 . . . . . A 4 VAL HG12 . 18712 1 13 . 1 1 4 4 VAL HG13 H 1 0.772 0.000 . . . . . A 4 VAL HG13 . 18712 1 14 . 1 1 4 4 VAL HG21 H 1 0.772 0.000 . . . . . A 4 VAL HG21 . 18712 1 15 . 1 1 4 4 VAL HG22 H 1 0.772 0.000 . . . . . A 4 VAL HG22 . 18712 1 16 . 1 1 4 4 VAL HG23 H 1 0.772 0.000 . . . . . A 4 VAL HG23 . 18712 1 17 . 1 1 4 4 VAL CA C 13 62.500 0.000 . . . . . A 4 VAL CA . 18712 1 18 . 1 1 4 4 VAL CB C 13 32.969 0.000 . . . . . A 4 VAL CB . 18712 1 19 . 1 1 4 4 VAL CG1 C 13 20.313 0.000 . . . . . A 4 VAL CG1 . 18712 1 20 . 1 1 4 4 VAL N N 15 119.125 0.000 . . . . . A 4 VAL N . 18712 1 21 . 1 1 5 5 TYR H H 1 8.305 0.000 . . . . . A 5 TYR H . 18712 1 22 . 1 1 5 5 TYR HA H 1 4.674 0.000 . . . . . A 5 TYR HA . 18712 1 23 . 1 1 5 5 TYR HB2 H 1 3.132 0.000 . . . . . A 5 TYR HB2 . 18712 1 24 . 1 1 5 5 TYR HB3 H 1 2.934 0.000 . . . . . A 5 TYR HB3 . 18712 1 25 . 1 1 5 5 TYR HD1 H 1 7.090 0.000 . . . . . A 5 TYR HD1 . 18712 1 26 . 1 1 5 5 TYR HD2 H 1 7.090 0.000 . . . . . A 5 TYR HD2 . 18712 1 27 . 1 1 5 5 TYR HE1 H 1 6.793 0.000 . . . . . A 5 TYR HE1 . 18712 1 28 . 1 1 5 5 TYR HE2 H 1 6.793 0.000 . . . . . A 5 TYR HE2 . 18712 1 29 . 1 1 5 5 TYR CA C 13 58.281 0.000 . . . . . A 5 TYR CA . 18712 1 30 . 1 1 5 5 TYR CB C 13 38.594 0.000 . . . . . A 5 TYR CB . 18712 1 31 . 1 1 5 5 TYR CD2 C 13 133.171 0.000 . . . . . A 5 TYR CD2 . 18712 1 32 . 1 1 5 5 TYR CE2 C 13 118.385 0.000 . . . . . A 5 TYR CE2 . 18712 1 33 . 1 1 5 5 TYR N N 15 122.640 0.000 . . . . . A 5 TYR N . 18712 1 34 . 1 1 6 6 THR H H 1 8.003 0.000 . . . . . A 6 THR H . 18712 1 35 . 1 1 6 6 THR HA H 1 4.548 0.000 . . . . . A 6 THR HA . 18712 1 36 . 1 1 6 6 THR HB H 1 4.146 0.000 . . . . . A 6 THR HB . 18712 1 37 . 1 1 6 6 THR HG21 H 1 1.155 0.000 . . . . . A 6 THR HG21 . 18712 1 38 . 1 1 6 6 THR HG22 H 1 1.155 0.000 . . . . . A 6 THR HG22 . 18712 1 39 . 1 1 6 6 THR HG23 H 1 1.155 0.000 . . . . . A 6 THR HG23 . 18712 1 40 . 1 1 6 6 THR CA C 13 61.796 0.000 . . . . . A 6 THR CA . 18712 1 41 . 1 1 6 6 THR CB C 13 70.234 0.000 . . . . . A 6 THR CB . 18712 1 42 . 1 1 6 6 THR CG2 C 13 21.719 0.000 . . . . . A 6 THR CG2 . 18712 1 43 . 1 1 6 6 THR N N 15 114.861 0.000 . . . . . A 6 THR N . 18712 1 44 . 1 1 7 7 SER H H 1 8.487 0.000 . . . . . A 7 SER H . 18712 1 45 . 1 1 7 7 SER HA H 1 4.600 0.000 . . . . . A 7 SER HA . 18712 1 46 . 1 1 7 7 SER HB2 H 1 3.857 0.000 . . . . . A 7 SER HB2 . 18712 1 47 . 1 1 7 7 SER HB3 H 1 3.828 0.000 . . . . . A 7 SER HB3 . 18712 1 48 . 1 1 7 7 SER CA C 13 57.578 0.000 . . . . . A 7 SER CA . 18712 1 49 . 1 1 7 7 SER CB C 13 64.609 0.000 . . . . . A 7 SER CB . 18712 1 50 . 1 1 7 7 SER N N 15 118.140 0.000 . . . . . A 7 SER N . 18712 1 51 . 1 1 8 8 ILE H H 1 8.139 0.000 . . . . . A 8 ILE H . 18712 1 52 . 1 1 8 8 ILE HA H 1 4.627 0.000 . . . . . A 8 ILE HA . 18712 1 53 . 1 1 8 8 ILE HB H 1 1.750 0.000 . . . . . A 8 ILE HB . 18712 1 54 . 1 1 8 8 ILE HG12 H 1 1.415 0.000 . . . . . A 8 ILE HG12 . 18712 1 55 . 1 1 8 8 ILE HG13 H 1 1.073 0.000 . . . . . A 8 ILE HG13 . 18712 1 56 . 1 1 8 8 ILE HG21 H 1 0.790 0.000 . . . . . A 8 ILE HG21 . 18712 1 57 . 1 1 8 8 ILE HG22 H 1 0.790 0.000 . . . . . A 8 ILE HG22 . 18712 1 58 . 1 1 8 8 ILE HG23 H 1 0.790 0.000 . . . . . A 8 ILE HG23 . 18712 1 59 . 1 1 8 8 ILE HD11 H 1 0.763 0.000 . . . . . A 8 ILE HD11 . 18712 1 60 . 1 1 8 8 ILE HD12 H 1 0.763 0.000 . . . . . A 8 ILE HD12 . 18712 1 61 . 1 1 8 8 ILE HD13 H 1 0.763 0.000 . . . . . A 8 ILE HD13 . 18712 1 62 . 1 1 8 8 ILE CA C 13 60.390 0.000 . . . . . A 8 ILE CA . 18712 1 63 . 1 1 8 8 ILE CB C 13 40.000 0.000 . . . . . A 8 ILE CB . 18712 1 64 . 1 1 8 8 ILE CG1 C 13 26.992 0.000 . . . . . A 8 ILE CG1 . 18712 1 65 . 1 1 8 8 ILE CG2 C 13 17.852 0.000 . . . . . A 8 ILE CG2 . 18712 1 66 . 1 1 8 8 ILE CD1 C 13 13.282 0.000 . . . . . A 8 ILE CD1 . 18712 1 67 . 1 1 8 8 ILE N N 15 121.375 0.000 . . . . . A 8 ILE N . 18712 1 68 . 1 1 9 9 HIS H H 1 8.743 0.000 . . . . . A 9 HIS H . 18712 1 69 . 1 1 9 9 HIS HA H 1 4.768 0.000 . . . . . A 9 HIS HA . 18712 1 70 . 1 1 9 9 HIS HB2 H 1 3.041 0.000 . . . . . A 9 HIS HB2 . 18712 1 71 . 1 1 9 9 HIS HB3 H 1 2.973 0.000 . . . . . A 9 HIS HB3 . 18712 1 72 . 1 1 9 9 HIS HD2 H 1 7.015 0.000 . . . . . A 9 HIS HD2 . 18712 1 73 . 1 1 9 9 HIS CB C 13 32.617 0.000 . . . . . A 9 HIS CB . 18712 1 74 . 1 1 9 9 HIS CD2 C 13 119.500 0.000 . . . . . A 9 HIS CD2 . 18712 1 75 . 1 1 9 9 HIS N N 15 125.734 0.000 . . . . . A 9 HIS N . 18712 1 76 . 1 1 10 10 ILE H H 1 8.035 0.000 . . . . . A 10 ILE H . 18712 1 77 . 1 1 10 10 ILE HA H 1 4.806 0.000 . . . . . A 10 ILE HA . 18712 1 78 . 1 1 10 10 ILE HB H 1 1.579 0.000 . . . . . A 10 ILE HB . 18712 1 79 . 1 1 10 10 ILE HG12 H 1 1.359 0.000 . . . . . A 10 ILE HG12 . 18712 1 80 . 1 1 10 10 ILE HG13 H 1 0.586 0.000 . . . . . A 10 ILE HG13 . 18712 1 81 . 1 1 10 10 ILE HG21 H 1 0.796 0.000 . . . . . A 10 ILE HG21 . 18712 1 82 . 1 1 10 10 ILE HG22 H 1 0.796 0.000 . . . . . A 10 ILE HG22 . 18712 1 83 . 1 1 10 10 ILE HG23 H 1 0.796 0.000 . . . . . A 10 ILE HG23 . 18712 1 84 . 1 1 10 10 ILE HD11 H 1 0.371 0.000 . . . . . A 10 ILE HD11 . 18712 1 85 . 1 1 10 10 ILE HD12 H 1 0.371 0.000 . . . . . A 10 ILE HD12 . 18712 1 86 . 1 1 10 10 ILE HD13 H 1 0.371 0.000 . . . . . A 10 ILE HD13 . 18712 1 87 . 1 1 10 10 ILE CB C 13 39.297 0.000 . . . . . A 10 ILE CB . 18712 1 88 . 1 1 10 10 ILE CG1 C 13 28.047 0.000 . . . . . A 10 ILE CG1 . 18712 1 89 . 1 1 10 10 ILE CG2 C 13 18.555 0.000 . . . . . A 10 ILE CG2 . 18712 1 90 . 1 1 10 10 ILE CD1 C 13 12.578 0.000 . . . . . A 10 ILE CD1 . 18712 1 91 . 1 1 10 10 ILE N N 15 125.875 0.000 . . . . . A 10 ILE N . 18712 1 92 . 1 1 11 11 GLU H H 1 8.934 0.000 . . . . . A 11 GLU H . 18712 1 93 . 1 1 11 11 GLU HA H 1 4.472 0.000 . . . . . A 11 GLU HA . 18712 1 94 . 1 1 11 11 GLU HB2 H 1 1.854 0.000 . . . . . A 11 GLU HB2 . 18712 1 95 . 1 1 11 11 GLU HB3 H 1 1.617 0.000 . . . . . A 11 GLU HB3 . 18712 1 96 . 1 1 11 11 GLU HG2 H 1 2.187 0.000 . . . . . A 11 GLU HG2 . 18712 1 97 . 1 1 11 11 GLU HG3 H 1 1.887 0.000 . . . . . A 11 GLU HG3 . 18712 1 98 . 1 1 11 11 GLU CA C 13 54.062 0.000 . . . . . A 11 GLU CA . 18712 1 99 . 1 1 11 11 GLU CB C 13 32.617 0.000 . . . . . A 11 GLU CB . 18712 1 100 . 1 1 11 11 GLU CG C 13 35.078 0.000 . . . . . A 11 GLU CG . 18712 1 101 . 1 1 11 11 GLU N N 15 129.438 0.000 . . . . . A 11 GLU N . 18712 1 102 . 1 1 12 12 GLU H H 1 8.192 0.000 . . . . . A 12 GLU H . 18712 1 103 . 1 1 12 12 GLU HA H 1 4.752 0.000 . . . . . A 12 GLU HA . 18712 1 104 . 1 1 12 12 GLU HB2 H 1 1.845 0.000 . . . . . A 12 GLU HB2 . 18712 1 105 . 1 1 12 12 GLU HB3 H 1 1.619 0.000 . . . . . A 12 GLU HB3 . 18712 1 106 . 1 1 12 12 GLU HG2 H 1 2.193 0.000 . . . . . A 12 GLU HG2 . 18712 1 107 . 1 1 12 12 GLU HG3 H 1 1.902 0.000 . . . . . A 12 GLU HG3 . 18712 1 108 . 1 1 12 12 GLU CA C 13 54.062 0.000 . . . . . A 12 GLU CA . 18712 1 109 . 1 1 12 12 GLU CB C 13 32.617 0.000 . . . . . A 12 GLU CB . 18712 1 110 . 1 1 12 12 GLU CG C 13 35.078 0.000 . . . . . A 12 GLU CG . 18712 1 111 . 1 1 12 12 GLU N N 15 123.983 0.000 . . . . . A 12 GLU N . 18712 1 112 . 1 1 13 13 TYR H H 1 8.926 0.000 . . . . . A 13 TYR H . 18712 1 113 . 1 1 13 13 TYR HA H 1 4.741 0.000 . . . . . A 13 TYR HA . 18712 1 114 . 1 1 13 13 TYR HB2 H 1 3.005 0.000 . . . . . A 13 TYR HB2 . 18712 1 115 . 1 1 13 13 TYR HB3 H 1 2.348 0.000 . . . . . A 13 TYR HB3 . 18712 1 116 . 1 1 13 13 TYR HD1 H 1 6.949 0.000 . . . . . A 13 TYR HD1 . 18712 1 117 . 1 1 13 13 TYR HD2 H 1 6.949 0.000 . . . . . A 13 TYR HD2 . 18712 1 118 . 1 1 13 13 TYR HE1 H 1 6.640 0.000 . . . . . A 13 TYR HE1 . 18712 1 119 . 1 1 13 13 TYR HE2 H 1 6.640 0.000 . . . . . A 13 TYR HE2 . 18712 1 120 . 1 1 13 13 TYR CB C 13 42.812 0.000 . . . . . A 13 TYR CB . 18712 1 121 . 1 1 13 13 TYR CD2 C 13 132.751 0.000 . . . . . A 13 TYR CD2 . 18712 1 122 . 1 1 13 13 TYR CE2 C 13 118.003 0.000 . . . . . A 13 TYR CE2 . 18712 1 123 . 1 1 13 13 TYR N N 15 122.826 0.000 . . . . . A 13 TYR N . 18712 1 124 . 1 1 14 14 GLU H H 1 8.716 0.000 . . . . . A 14 GLU H . 18712 1 125 . 1 1 14 14 GLU HA H 1 5.647 0.000 . . . . . A 14 GLU HA . 18712 1 126 . 1 1 14 14 GLU HB2 H 1 1.896 0.000 . . . . . A 14 GLU HB2 . 18712 1 127 . 1 1 14 14 GLU HB3 H 1 1.896 0.000 . . . . . A 14 GLU HB3 . 18712 1 128 . 1 1 14 14 GLU HG2 H 1 2.168 0.000 . . . . . A 14 GLU HG2 . 18712 1 129 . 1 1 14 14 GLU HG3 H 1 2.056 0.000 . . . . . A 14 GLU HG3 . 18712 1 130 . 1 1 14 14 GLU CA C 13 54.765 0.000 . . . . . A 14 GLU CA . 18712 1 131 . 1 1 14 14 GLU CB C 13 34.375 0.000 . . . . . A 14 GLU CB . 18712 1 132 . 1 1 14 14 GLU CG C 13 36.836 0.000 . . . . . A 14 GLU CG . 18712 1 133 . 1 1 14 14 GLU N N 15 119.329 0.000 . . . . . A 14 GLU N . 18712 1 134 . 1 1 15 15 SER H H 1 8.922 0.000 . . . . . A 15 SER H . 18712 1 135 . 1 1 15 15 SER HA H 1 4.616 0.000 . . . . . A 15 SER HA . 18712 1 136 . 1 1 15 15 SER HB2 H 1 3.660 0.000 . . . . . A 15 SER HB2 . 18712 1 137 . 1 1 15 15 SER HB3 H 1 3.379 0.000 . . . . . A 15 SER HB3 . 18712 1 138 . 1 1 15 15 SER CA C 13 57.578 0.000 . . . . . A 15 SER CA . 18712 1 139 . 1 1 15 15 SER CB C 13 66.015 0.000 . . . . . A 15 SER CB . 18712 1 140 . 1 1 15 15 SER N N 15 116.172 0.000 . . . . . A 15 SER N . 18712 1 141 . 1 1 16 16 GLU H H 1 8.587 0.000 . . . . . A 16 GLU H . 18712 1 142 . 1 1 16 16 GLU HA H 1 5.082 0.000 . . . . . A 16 GLU HA . 18712 1 143 . 1 1 16 16 GLU HB2 H 1 2.054 0.000 . . . . . A 16 GLU HB2 . 18712 1 144 . 1 1 16 16 GLU HB3 H 1 1.864 0.000 . . . . . A 16 GLU HB3 . 18712 1 145 . 1 1 16 16 GLU HG2 H 1 2.138 0.000 . . . . . A 16 GLU HG2 . 18712 1 146 . 1 1 16 16 GLU HG3 H 1 2.212 0.000 . . . . . A 16 GLU HG3 . 18712 1 147 . 1 1 16 16 GLU CA C 13 54.062 0.000 . . . . . A 16 GLU CA . 18712 1 148 . 1 1 16 16 GLU CB C 13 32.969 0.000 . . . . . A 16 GLU CB . 18712 1 149 . 1 1 16 16 GLU CG C 13 36.133 0.000 . . . . . A 16 GLU CG . 18712 1 150 . 1 1 16 16 GLU N N 15 125.172 0.000 . . . . . A 16 GLU N . 18712 1 151 . 1 1 17 17 ALA H H 1 9.000 0.000 . . . . . A 17 ALA H . 18712 1 152 . 1 1 17 17 ALA HA H 1 4.969 0.000 . . . . . A 17 ALA HA . 18712 1 153 . 1 1 17 17 ALA HB1 H 1 1.318 0.000 . . . . . A 17 ALA HB1 . 18712 1 154 . 1 1 17 17 ALA HB2 H 1 1.318 0.000 . . . . . A 17 ALA HB2 . 18712 1 155 . 1 1 17 17 ALA HB3 H 1 1.318 0.000 . . . . . A 17 ALA HB3 . 18712 1 156 . 1 1 17 17 ALA CA C 13 50.547 0.000 . . . . . A 17 ALA CA . 18712 1 157 . 1 1 17 17 ALA CB C 13 19.610 0.000 . . . . . A 17 ALA CB . 18712 1 158 . 1 1 17 17 ALA N N 15 124.890 0.000 . . . . . A 17 ALA N . 18712 1 159 . 1 1 18 18 ARG H H 1 9.624 0.000 . . . . . A 18 ARG H . 18712 1 160 . 1 1 18 18 ARG HA H 1 5.175 0.000 . . . . . A 18 ARG HA . 18712 1 161 . 1 1 18 18 ARG HB2 H 1 1.968 0.000 . . . . . A 18 ARG HB2 . 18712 1 162 . 1 1 18 18 ARG HB3 H 1 1.594 0.000 . . . . . A 18 ARG HB3 . 18712 1 163 . 1 1 18 18 ARG HG2 H 1 1.641 0.000 . . . . . A 18 ARG HG2 . 18712 1 164 . 1 1 18 18 ARG HG3 H 1 1.552 0.002 . . . . . A 18 ARG HG3 . 18712 1 165 . 1 1 18 18 ARG HD2 H 1 3.271 0.000 . . . . . A 18 ARG HD2 . 18712 1 166 . 1 1 18 18 ARG HD3 H 1 3.142 0.000 . . . . . A 18 ARG HD3 . 18712 1 167 . 1 1 18 18 ARG CA C 13 54.765 0.000 . . . . . A 18 ARG CA . 18712 1 168 . 1 1 18 18 ARG CB C 13 34.375 0.000 . . . . . A 18 ARG CB . 18712 1 169 . 1 1 18 18 ARG CG C 13 28.750 0.000 . . . . . A 18 ARG CG . 18712 1 170 . 1 1 18 18 ARG CD C 13 43.164 0.000 . . . . . A 18 ARG CD . 18712 1 171 . 1 1 18 18 ARG N N 15 125.376 0.000 . . . . . A 18 ARG N . 18712 1 172 . 1 1 19 19 ASP H H 1 8.420 0.000 . . . . . A 19 ASP H . 18712 1 173 . 1 1 19 19 ASP HA H 1 4.685 0.000 . . . . . A 19 ASP HA . 18712 1 174 . 1 1 19 19 ASP HB2 H 1 2.683 0.000 . . . . . A 19 ASP HB2 . 18712 1 175 . 1 1 19 19 ASP HB3 H 1 2.459 0.000 . . . . . A 19 ASP HB3 . 18712 1 176 . 1 1 19 19 ASP CA C 13 55.117 0.000 . . . . . A 19 ASP CA . 18712 1 177 . 1 1 19 19 ASP CB C 13 41.406 0.000 . . . . . A 19 ASP CB . 18712 1 178 . 1 1 19 19 ASP N N 15 119.828 0.000 . . . . . A 19 ASP N . 18712 1 179 . 1 1 20 20 THR H H 1 7.602 0.000 . . . . . A 20 THR H . 18712 1 180 . 1 1 20 20 THR HA H 1 4.979 0.000 . . . . . A 20 THR HA . 18712 1 181 . 1 1 20 20 THR HB H 1 4.476 0.000 . . . . . A 20 THR HB . 18712 1 182 . 1 1 20 20 THR HG21 H 1 1.286 0.000 . . . . . A 20 THR HG21 . 18712 1 183 . 1 1 20 20 THR HG22 H 1 1.286 0.000 . . . . . A 20 THR HG22 . 18712 1 184 . 1 1 20 20 THR HG23 H 1 1.286 0.000 . . . . . A 20 THR HG23 . 18712 1 185 . 1 1 20 20 THR CA C 13 60.390 0.000 . . . . . A 20 THR CA . 18712 1 186 . 1 1 20 20 THR CB C 13 73.046 0.000 . . . . . A 20 THR CB . 18712 1 187 . 1 1 20 20 THR CG2 C 13 21.016 0.000 . . . . . A 20 THR CG2 . 18712 1 188 . 1 1 20 20 THR N N 15 112.948 0.000 . . . . . A 20 THR N . 18712 1 189 . 1 1 21 21 LYS HA H 1 4.146 0.000 . . . . . A 21 LYS HA . 18712 1 190 . 1 1 21 21 LYS HB2 H 1 1.896 0.000 . . . . . A 21 LYS HB2 . 18712 1 191 . 1 1 21 21 LYS HB3 H 1 1.896 0.000 . . . . . A 21 LYS HB3 . 18712 1 192 . 1 1 21 21 LYS HG2 H 1 1.524 0.000 . . . . . A 21 LYS HG2 . 18712 1 193 . 1 1 21 21 LYS HG3 H 1 1.524 0.000 . . . . . A 21 LYS HG3 . 18712 1 194 . 1 1 21 21 LYS HD2 H 1 1.722 0.000 . . . . . A 21 LYS HD2 . 18712 1 195 . 1 1 21 21 LYS HD3 H 1 1.722 0.000 . . . . . A 21 LYS HD3 . 18712 1 196 . 1 1 21 21 LYS HE2 H 1 3.015 0.000 . . . . . A 21 LYS HE2 . 18712 1 197 . 1 1 21 21 LYS HE3 H 1 3.015 0.000 . . . . . A 21 LYS HE3 . 18712 1 198 . 1 1 21 21 LYS CA C 13 58.984 0.000 . . . . . A 21 LYS CA . 18712 1 199 . 1 1 21 21 LYS CB C 13 32.266 0.000 . . . . . A 21 LYS CB . 18712 1 200 . 1 1 21 21 LYS CG C 13 25.235 0.000 . . . . . A 21 LYS CG . 18712 1 201 . 1 1 21 21 LYS CD C 13 28.750 0.000 . . . . . A 21 LYS CD . 18712 1 202 . 1 1 21 21 LYS CE C 13 42.109 0.000 . . . . . A 21 LYS CE . 18712 1 203 . 1 1 22 22 LEU H H 1 7.848 0.000 . . . . . A 22 LEU H . 18712 1 204 . 1 1 22 22 LEU HA H 1 4.532 0.000 . . . . . A 22 LEU HA . 18712 1 205 . 1 1 22 22 LEU HB2 H 1 1.682 0.000 . . . . . A 22 LEU HB2 . 18712 1 206 . 1 1 22 22 LEU HB3 H 1 1.353 0.000 . . . . . A 22 LEU HB3 . 18712 1 207 . 1 1 22 22 LEU HG H 1 1.533 0.000 . . . . . A 22 LEU HG . 18712 1 208 . 1 1 22 22 LEU HD11 H 1 0.839 0.000 . . . . . A 22 LEU HD11 . 18712 1 209 . 1 1 22 22 LEU HD12 H 1 0.839 0.000 . . . . . A 22 LEU HD12 . 18712 1 210 . 1 1 22 22 LEU HD13 H 1 0.839 0.000 . . . . . A 22 LEU HD13 . 18712 1 211 . 1 1 22 22 LEU HD21 H 1 0.788 0.000 . . . . . A 22 LEU HD21 . 18712 1 212 . 1 1 22 22 LEU HD22 H 1 0.788 0.000 . . . . . A 22 LEU HD22 . 18712 1 213 . 1 1 22 22 LEU HD23 H 1 0.788 0.000 . . . . . A 22 LEU HD23 . 18712 1 214 . 1 1 22 22 LEU CA C 13 54.062 0.000 . . . . . A 22 LEU CA . 18712 1 215 . 1 1 22 22 LEU CB C 13 42.812 0.000 . . . . . A 22 LEU CB . 18712 1 216 . 1 1 22 22 LEU CG C 13 26.641 0.000 . . . . . A 22 LEU CG . 18712 1 217 . 1 1 22 22 LEU CD1 C 13 22.422 0.000 . . . . . A 22 LEU CD1 . 18712 1 218 . 1 1 22 22 LEU CD2 C 13 25.586 0.000 . . . . . A 22 LEU CD2 . 18712 1 219 . 1 1 22 22 LEU N N 15 117.346 0.000 . . . . . A 22 LEU N . 18712 1 220 . 1 1 23 23 GLY H H 1 7.407 0.000 . . . . . A 23 GLY H . 18712 1 221 . 1 1 23 23 GLY HA2 H 1 3.945 0.000 . . . . . A 23 GLY HA2 . 18712 1 222 . 1 1 23 23 GLY HA3 H 1 3.969 0.000 . . . . . A 23 GLY HA3 . 18712 1 223 . 1 1 23 23 GLY CA C 13 43.516 0.000 . . . . . A 23 GLY CA . 18712 1 224 . 1 1 23 23 GLY N N 15 108.437 0.000 . . . . . A 23 GLY N . 18712 1 225 . 1 1 24 24 PRO HA H 1 4.894 0.000 . . . . . A 24 PRO HA . 18712 1 226 . 1 1 24 24 PRO HB2 H 1 2.093 0.000 . . . . . A 24 PRO HB2 . 18712 1 227 . 1 1 24 24 PRO HB3 H 1 2.267 0.000 . . . . . A 24 PRO HB3 . 18712 1 228 . 1 1 24 24 PRO HG2 H 1 2.104 0.000 . . . . . A 24 PRO HG2 . 18712 1 229 . 1 1 24 24 PRO HG3 H 1 2.104 0.000 . . . . . A 24 PRO HG3 . 18712 1 230 . 1 1 24 24 PRO HD2 H 1 3.650 0.003 . . . . . A 24 PRO HD2 . 18712 1 231 . 1 1 24 24 PRO HD3 H 1 3.650 0.003 . . . . . A 24 PRO HD3 . 18712 1 232 . 1 1 24 24 PRO CA C 13 63.906 0.000 . . . . . A 24 PRO CA . 18712 1 233 . 1 1 24 24 PRO CB C 13 31.563 0.000 . . . . . A 24 PRO CB . 18712 1 234 . 1 1 24 24 PRO CG C 13 26.992 0.000 . . . . . A 24 PRO CG . 18712 1 235 . 1 1 24 24 PRO CD C 13 49.492 0.000 . . . . . A 24 PRO CD . 18712 1 236 . 1 1 25 25 GLU H H 1 8.341 0.000 . . . . . A 25 GLU H . 18712 1 237 . 1 1 25 25 GLU HA H 1 4.621 0.000 . . . . . A 25 GLU HA . 18712 1 238 . 1 1 25 25 GLU HB2 H 1 2.176 0.000 . . . . . A 25 GLU HB2 . 18712 1 239 . 1 1 25 25 GLU HB3 H 1 2.023 0.000 . . . . . A 25 GLU HB3 . 18712 1 240 . 1 1 25 25 GLU CA C 13 56.523 0.000 . . . . . A 25 GLU CA . 18712 1 241 . 1 1 25 25 GLU CB C 13 32.266 0.000 . . . . . A 25 GLU CB . 18712 1 242 . 1 1 25 25 GLU N N 15 118.281 0.000 . . . . . A 25 GLU N . 18712 1 243 . 1 1 26 26 GLU H H 1 8.336 0.000 . . . . . A 26 GLU H . 18712 1 244 . 1 1 26 26 GLU HA H 1 4.710 0.013 . . . . . A 26 GLU HA . 18712 1 245 . 1 1 26 26 GLU HB2 H 1 1.687 0.000 . . . . . A 26 GLU HB2 . 18712 1 246 . 1 1 26 26 GLU HB3 H 1 1.842 0.000 . . . . . A 26 GLU HB3 . 18712 1 247 . 1 1 26 26 GLU HG2 H 1 2.138 0.000 . . . . . A 26 GLU HG2 . 18712 1 248 . 1 1 26 26 GLU HG3 H 1 2.028 0.000 . . . . . A 26 GLU HG3 . 18712 1 249 . 1 1 26 26 GLU CA C 13 54.765 0.000 . . . . . A 26 GLU CA . 18712 1 250 . 1 1 26 26 GLU CB C 13 33.672 0.000 . . . . . A 26 GLU CB . 18712 1 251 . 1 1 26 26 GLU CG C 13 35.781 0.000 . . . . . A 26 GLU CG . 18712 1 252 . 1 1 26 26 GLU N N 15 119.406 0.000 . . . . . A 26 GLU N . 18712 1 253 . 1 1 27 27 ILE H H 1 8.405 0.000 . . . . . A 27 ILE H . 18712 1 254 . 1 1 27 27 ILE HA H 1 5.009 0.000 . . . . . A 27 ILE HA . 18712 1 255 . 1 1 27 27 ILE HB H 1 1.673 0.000 . . . . . A 27 ILE HB . 18712 1 256 . 1 1 27 27 ILE HG12 H 1 1.286 0.000 . . . . . A 27 ILE HG12 . 18712 1 257 . 1 1 27 27 ILE HG13 H 1 1.115 0.000 . . . . . A 27 ILE HG13 . 18712 1 258 . 1 1 27 27 ILE HG21 H 1 0.940 0.000 . . . . . A 27 ILE HG21 . 18712 1 259 . 1 1 27 27 ILE HG22 H 1 0.940 0.000 . . . . . A 27 ILE HG22 . 18712 1 260 . 1 1 27 27 ILE HG23 H 1 0.940 0.000 . . . . . A 27 ILE HG23 . 18712 1 261 . 1 1 27 27 ILE HD11 H 1 0.609 0.000 . . . . . A 27 ILE HD11 . 18712 1 262 . 1 1 27 27 ILE HD12 H 1 0.609 0.000 . . . . . A 27 ILE HD12 . 18712 1 263 . 1 1 27 27 ILE HD13 H 1 0.609 0.000 . . . . . A 27 ILE HD13 . 18712 1 264 . 1 1 27 27 ILE CA C 13 60.390 0.000 . . . . . A 27 ILE CA . 18712 1 265 . 1 1 27 27 ILE CB C 13 37.187 0.000 . . . . . A 27 ILE CB . 18712 1 266 . 1 1 27 27 ILE CG1 C 13 28.047 0.000 . . . . . A 27 ILE CG1 . 18712 1 267 . 1 1 27 27 ILE CG2 C 13 16.094 0.000 . . . . . A 27 ILE CG2 . 18712 1 268 . 1 1 27 27 ILE CD1 C 13 11.875 0.000 . . . . . A 27 ILE CD1 . 18712 1 269 . 1 1 27 27 ILE N N 15 127.472 0.000 . . . . . A 27 ILE N . 18712 1 270 . 1 1 28 28 THR H H 1 8.191 0.000 . . . . . A 28 THR H . 18712 1 271 . 1 1 28 28 THR HA H 1 4.492 0.000 . . . . . A 28 THR HA . 18712 1 272 . 1 1 28 28 THR HB H 1 4.016 0.000 . . . . . A 28 THR HB . 18712 1 273 . 1 1 28 28 THR HG21 H 1 0.796 0.000 . . . . . A 28 THR HG21 . 18712 1 274 . 1 1 28 28 THR HG22 H 1 0.796 0.000 . . . . . A 28 THR HG22 . 18712 1 275 . 1 1 28 28 THR HG23 H 1 0.796 0.000 . . . . . A 28 THR HG23 . 18712 1 276 . 1 1 28 28 THR CA C 13 59.687 0.000 . . . . . A 28 THR CA . 18712 1 277 . 1 1 28 28 THR CB C 13 68.125 0.000 . . . . . A 28 THR CB . 18712 1 278 . 1 1 28 28 THR CG2 C 13 19.610 0.000 . . . . . A 28 THR CG2 . 18712 1 279 . 1 1 28 28 THR N N 15 124.387 0.000 . . . . . A 28 THR N . 18712 1 280 . 1 1 29 29 ARG H H 1 7.995 0.000 . . . . . A 29 ARG H . 18712 1 281 . 1 1 29 29 ARG HA H 1 4.202 0.000 . . . . . A 29 ARG HA . 18712 1 282 . 1 1 29 29 ARG HB2 H 1 1.696 0.000 . . . . . A 29 ARG HB2 . 18712 1 283 . 1 1 29 29 ARG HB3 H 1 1.616 0.000 . . . . . A 29 ARG HB3 . 18712 1 284 . 1 1 29 29 ARG HG3 H 1 1.455 0.000 . . . . . A 29 ARG HG3 . 18712 1 285 . 1 1 29 29 ARG HD2 H 1 3.107 0.000 . . . . . A 29 ARG HD2 . 18712 1 286 . 1 1 29 29 ARG CA C 13 55.468 0.000 . . . . . A 29 ARG CA . 18712 1 287 . 1 1 29 29 ARG CB C 13 32.266 0.000 . . . . . A 29 ARG CB . 18712 1 288 . 1 1 29 29 ARG CG C 13 28.750 0.000 . . . . . A 29 ARG CG . 18712 1 289 . 1 1 29 29 ARG CD C 13 42.812 0.000 . . . . . A 29 ARG CD . 18712 1 290 . 1 1 29 29 ARG N N 15 120.568 0.000 . . . . . A 29 ARG N . 18712 1 291 . 1 1 30 30 ASP H H 1 8.784 0.000 . . . . . A 30 ASP H . 18712 1 292 . 1 1 30 30 ASP HA H 1 4.619 0.000 . . . . . A 30 ASP HA . 18712 1 293 . 1 1 30 30 ASP HB2 H 1 2.673 0.000 . . . . . A 30 ASP HB2 . 18712 1 294 . 1 1 30 30 ASP HB3 H 1 2.365 0.000 . . . . . A 30 ASP HB3 . 18712 1 295 . 1 1 30 30 ASP CA C 13 53.359 0.000 . . . . . A 30 ASP CA . 18712 1 296 . 1 1 30 30 ASP CB C 13 38.594 0.000 . . . . . A 30 ASP CB . 18712 1 297 . 1 1 30 30 ASP N N 15 123.906 0.000 . . . . . A 30 ASP N . 18712 1 298 . 1 1 31 31 ILE H H 1 7.404 0.000 . . . . . A 31 ILE H . 18712 1 299 . 1 1 31 31 ILE HA H 1 4.063 0.000 . . . . . A 31 ILE HA . 18712 1 300 . 1 1 31 31 ILE HB H 1 1.477 0.000 . . . . . A 31 ILE HB . 18712 1 301 . 1 1 31 31 ILE HG12 H 1 1.227 0.000 . . . . . A 31 ILE HG12 . 18712 1 302 . 1 1 31 31 ILE HG13 H 1 0.774 0.000 . . . . . A 31 ILE HG13 . 18712 1 303 . 1 1 31 31 ILE HG21 H 1 0.833 0.000 . . . . . A 31 ILE HG21 . 18712 1 304 . 1 1 31 31 ILE HG22 H 1 0.833 0.000 . . . . . A 31 ILE HG22 . 18712 1 305 . 1 1 31 31 ILE HG23 H 1 0.833 0.000 . . . . . A 31 ILE HG23 . 18712 1 306 . 1 1 31 31 ILE HD11 H 1 0.773 0.000 . . . . . A 31 ILE HD11 . 18712 1 307 . 1 1 31 31 ILE HD12 H 1 0.773 0.000 . . . . . A 31 ILE HD12 . 18712 1 308 . 1 1 31 31 ILE HD13 H 1 0.773 0.000 . . . . . A 31 ILE HD13 . 18712 1 309 . 1 1 31 31 ILE CA C 13 57.578 0.000 . . . . . A 31 ILE CA . 18712 1 310 . 1 1 31 31 ILE CB C 13 40.703 0.000 . . . . . A 31 ILE CB . 18712 1 311 . 1 1 31 31 ILE CG1 C 13 26.641 0.000 . . . . . A 31 ILE CG1 . 18712 1 312 . 1 1 31 31 ILE CG2 C 13 18.203 0.000 . . . . . A 31 ILE CG2 . 18712 1 313 . 1 1 31 31 ILE CD1 C 13 15.039 0.000 . . . . . A 31 ILE CD1 . 18712 1 314 . 1 1 31 31 ILE N N 15 123.422 0.000 . . . . . A 31 ILE N . 18712 1 315 . 1 1 32 32 PRO HA H 1 4.273 0.000 . . . . . A 32 PRO HA . 18712 1 316 . 1 1 32 32 PRO HB2 H 1 2.256 0.000 . . . . . A 32 PRO HB2 . 18712 1 317 . 1 1 32 32 PRO HB3 H 1 1.916 0.000 . . . . . A 32 PRO HB3 . 18712 1 318 . 1 1 32 32 PRO HG2 H 1 1.989 0.000 . . . . . A 32 PRO HG2 . 18712 1 319 . 1 1 32 32 PRO HG3 H 1 1.905 0.000 . . . . . A 32 PRO HG3 . 18712 1 320 . 1 1 32 32 PRO HD2 H 1 3.348 0.000 . . . . . A 32 PRO HD2 . 18712 1 321 . 1 1 32 32 PRO HD3 H 1 3.744 0.000 . . . . . A 32 PRO HD3 . 18712 1 322 . 1 1 32 32 PRO CA C 13 63.554 0.000 . . . . . A 32 PRO CA . 18712 1 323 . 1 1 32 32 PRO CB C 13 32.266 0.000 . . . . . A 32 PRO CB . 18712 1 324 . 1 1 32 32 PRO CG C 13 27.695 0.000 . . . . . A 32 PRO CG . 18712 1 325 . 1 1 32 32 PRO CD C 13 50.547 0.000 . . . . . A 32 PRO CD . 18712 1 326 . 1 1 33 33 ASN H H 1 8.880 0.000 . . . . . A 33 ASN H . 18712 1 327 . 1 1 33 33 ASN HA H 1 4.269 0.000 . . . . . A 33 ASN HA . 18712 1 328 . 1 1 33 33 ASN HB2 H 1 3.031 0.000 . . . . . A 33 ASN HB2 . 18712 1 329 . 1 1 33 33 ASN HB3 H 1 2.919 0.000 . . . . . A 33 ASN HB3 . 18712 1 330 . 1 1 33 33 ASN HD21 H 1 7.696 0.000 . . . . . A 33 ASN HD21 . 18712 1 331 . 1 1 33 33 ASN HD22 H 1 7.006 0.000 . . . . . A 33 ASN HD22 . 18712 1 332 . 1 1 33 33 ASN CA C 13 55.117 0.000 . . . . . A 33 ASN CA . 18712 1 333 . 1 1 33 33 ASN CB C 13 37.891 0.000 . . . . . A 33 ASN CB . 18712 1 334 . 1 1 33 33 ASN N N 15 114.027 0.000 . . . . . A 33 ASN N . 18712 1 335 . 1 1 33 33 ASN ND2 N 15 114.015 0.000 . . . . . A 33 ASN ND2 . 18712 1 336 . 1 1 34 34 VAL H H 1 7.328 0.000 . . . . . A 34 VAL H . 18712 1 337 . 1 1 34 34 VAL HA H 1 4.249 0.000 . . . . . A 34 VAL HA . 18712 1 338 . 1 1 34 34 VAL HB H 1 1.921 0.000 . . . . . A 34 VAL HB . 18712 1 339 . 1 1 34 34 VAL HG11 H 1 0.959 0.000 . . . . . A 34 VAL HG11 . 18712 1 340 . 1 1 34 34 VAL HG12 H 1 0.959 0.000 . . . . . A 34 VAL HG12 . 18712 1 341 . 1 1 34 34 VAL HG13 H 1 0.959 0.000 . . . . . A 34 VAL HG13 . 18712 1 342 . 1 1 34 34 VAL HG21 H 1 0.801 0.000 . . . . . A 34 VAL HG21 . 18712 1 343 . 1 1 34 34 VAL HG22 H 1 0.801 0.000 . . . . . A 34 VAL HG22 . 18712 1 344 . 1 1 34 34 VAL HG23 H 1 0.801 0.000 . . . . . A 34 VAL HG23 . 18712 1 345 . 1 1 34 34 VAL CA C 13 62.148 0.000 . . . . . A 34 VAL CA . 18712 1 346 . 1 1 34 34 VAL CB C 13 33.672 0.000 . . . . . A 34 VAL CB . 18712 1 347 . 1 1 34 34 VAL CG1 C 13 22.422 0.000 . . . . . A 34 VAL CG1 . 18712 1 348 . 1 1 34 34 VAL CG2 C 13 21.016 0.000 . . . . . A 34 VAL CG2 . 18712 1 349 . 1 1 34 34 VAL N N 15 117.111 0.000 . . . . . A 34 VAL N . 18712 1 350 . 1 1 35 35 GLY H H 1 8.653 0.000 . . . . . A 35 GLY H . 18712 1 351 . 1 1 35 35 GLY HA2 H 1 4.236 0.000 . . . . . A 35 GLY HA2 . 18712 1 352 . 1 1 35 35 GLY HA3 H 1 3.882 0.000 . . . . . A 35 GLY HA3 . 18712 1 353 . 1 1 35 35 GLY CA C 13 44.219 0.000 . . . . . A 35 GLY CA . 18712 1 354 . 1 1 35 35 GLY N N 15 113.600 0.000 . . . . . A 35 GLY N . 18712 1 355 . 1 1 36 36 GLU H H 1 8.457 0.001 . . . . . A 36 GLU H . 18712 1 356 . 1 1 36 36 GLU HA H 1 3.888 0.000 . . . . . A 36 GLU HA . 18712 1 357 . 1 1 36 36 GLU HB2 H 1 2.042 0.000 . . . . . A 36 GLU HB2 . 18712 1 358 . 1 1 36 36 GLU HB3 H 1 2.004 0.000 . . . . . A 36 GLU HB3 . 18712 1 359 . 1 1 36 36 GLU HG2 H 1 2.326 0.000 . . . . . A 36 GLU HG2 . 18712 1 360 . 1 1 36 36 GLU CA C 13 59.687 0.000 . . . . . A 36 GLU CA . 18712 1 361 . 1 1 36 36 GLU CB C 13 29.453 0.000 . . . . . A 36 GLU CB . 18712 1 362 . 1 1 36 36 GLU CG C 13 36.484 0.000 . . . . . A 36 GLU CG . 18712 1 363 . 1 1 36 36 GLU N N 15 118.562 0.000 . . . . . A 36 GLU N . 18712 1 364 . 1 1 37 37 ASP H H 1 8.728 0.000 . . . . . A 37 ASP H . 18712 1 365 . 1 1 37 37 ASP HA H 1 4.335 0.000 . . . . . A 37 ASP HA . 18712 1 366 . 1 1 37 37 ASP HB2 H 1 2.658 0.000 . . . . . A 37 ASP HB2 . 18712 1 367 . 1 1 37 37 ASP CA C 13 56.875 0.000 . . . . . A 37 ASP CA . 18712 1 368 . 1 1 37 37 ASP CB C 13 40.000 0.000 . . . . . A 37 ASP CB . 18712 1 369 . 1 1 37 37 ASP N N 15 118.140 0.000 . . . . . A 37 ASP N . 18712 1 370 . 1 1 38 38 ALA H H 1 7.642 0.000 . . . . . A 38 ALA H . 18712 1 371 . 1 1 38 38 ALA HA H 1 4.288 0.000 . . . . . A 38 ALA HA . 18712 1 372 . 1 1 38 38 ALA HB1 H 1 1.516 0.000 . . . . . A 38 ALA HB1 . 18712 1 373 . 1 1 38 38 ALA HB2 H 1 1.516 0.000 . . . . . A 38 ALA HB2 . 18712 1 374 . 1 1 38 38 ALA HB3 H 1 1.516 0.000 . . . . . A 38 ALA HB3 . 18712 1 375 . 1 1 38 38 ALA CA C 13 53.359 0.000 . . . . . A 38 ALA CA . 18712 1 376 . 1 1 38 38 ALA CB C 13 18.555 0.000 . . . . . A 38 ALA CB . 18712 1 377 . 1 1 38 38 ALA N N 15 120.752 0.000 . . . . . A 38 ALA N . 18712 1 378 . 1 1 39 39 LEU H H 1 7.446 0.000 . . . . . A 39 LEU H . 18712 1 379 . 1 1 39 39 LEU HA H 1 4.295 0.000 . . . . . A 39 LEU HA . 18712 1 380 . 1 1 39 39 LEU HB2 H 1 1.795 0.000 . . . . . A 39 LEU HB2 . 18712 1 381 . 1 1 39 39 LEU HB3 H 1 1.622 0.000 . . . . . A 39 LEU HB3 . 18712 1 382 . 1 1 39 39 LEU HG H 1 1.731 0.000 . . . . . A 39 LEU HG . 18712 1 383 . 1 1 39 39 LEU HD11 H 1 0.799 0.000 . . . . . A 39 LEU HD11 . 18712 1 384 . 1 1 39 39 LEU HD12 H 1 0.799 0.000 . . . . . A 39 LEU HD12 . 18712 1 385 . 1 1 39 39 LEU HD13 H 1 0.799 0.000 . . . . . A 39 LEU HD13 . 18712 1 386 . 1 1 39 39 LEU HD21 H 1 0.891 0.000 . . . . . A 39 LEU HD21 . 18712 1 387 . 1 1 39 39 LEU HD22 H 1 0.891 0.000 . . . . . A 39 LEU HD22 . 18712 1 388 . 1 1 39 39 LEU HD23 H 1 0.891 0.000 . . . . . A 39 LEU HD23 . 18712 1 389 . 1 1 39 39 LEU CA C 13 54.765 0.000 . . . . . A 39 LEU CA . 18712 1 390 . 1 1 39 39 LEU CB C 13 43.164 0.000 . . . . . A 39 LEU CB . 18712 1 391 . 1 1 39 39 LEU CG C 13 25.938 0.000 . . . . . A 39 LEU CG . 18712 1 392 . 1 1 39 39 LEU CD1 C 13 23.828 0.000 . . . . . A 39 LEU CD1 . 18712 1 393 . 1 1 39 39 LEU CD2 C 13 26.289 0.000 . . . . . A 39 LEU CD2 . 18712 1 394 . 1 1 39 39 LEU N N 15 117.015 0.000 . . . . . A 39 LEU N . 18712 1 395 . 1 1 40 40 ARG H H 1 7.079 0.000 . . . . . A 40 ARG H . 18712 1 396 . 1 1 40 40 ARG HA H 1 4.064 0.000 . . . . . A 40 ARG HA . 18712 1 397 . 1 1 40 40 ARG HB2 H 1 1.819 0.000 . . . . . A 40 ARG HB2 . 18712 1 398 . 1 1 40 40 ARG HB3 H 1 1.958 0.000 . . . . . A 40 ARG HB3 . 18712 1 399 . 1 1 40 40 ARG HG2 H 1 1.741 0.000 . . . . . A 40 ARG HG2 . 18712 1 400 . 1 1 40 40 ARG HG3 H 1 1.614 0.000 . . . . . A 40 ARG HG3 . 18712 1 401 . 1 1 40 40 ARG HD2 H 1 3.321 0.000 . . . . . A 40 ARG HD2 . 18712 1 402 . 1 1 40 40 ARG HD3 H 1 3.219 0.000 . . . . . A 40 ARG HD3 . 18712 1 403 . 1 1 40 40 ARG CA C 13 59.687 0.000 . . . . . A 40 ARG CA . 18712 1 404 . 1 1 40 40 ARG CB C 13 30.508 0.000 . . . . . A 40 ARG CB . 18712 1 405 . 1 1 40 40 ARG CG C 13 26.992 0.000 . . . . . A 40 ARG CG . 18712 1 406 . 1 1 40 40 ARG CD C 13 43.516 0.000 . . . . . A 40 ARG CD . 18712 1 407 . 1 1 40 40 ARG N N 15 118.017 0.000 . . . . . A 40 ARG N . 18712 1 408 . 1 1 41 41 ASN H H 1 9.057 0.000 . . . . . A 41 ASN H . 18712 1 409 . 1 1 41 41 ASN HA H 1 4.996 0.000 . . . . . A 41 ASN HA . 18712 1 410 . 1 1 41 41 ASN HB2 H 1 2.939 0.000 . . . . . A 41 ASN HB2 . 18712 1 411 . 1 1 41 41 ASN HB3 H 1 2.550 0.000 . . . . . A 41 ASN HB3 . 18712 1 412 . 1 1 41 41 ASN HD21 H 1 8.065 0.000 . . . . . A 41 ASN HD21 . 18712 1 413 . 1 1 41 41 ASN HD22 H 1 7.047 0.000 . . . . . A 41 ASN HD22 . 18712 1 414 . 1 1 41 41 ASN CA C 13 53.359 0.000 . . . . . A 41 ASN CA . 18712 1 415 . 1 1 41 41 ASN CB C 13 39.297 0.000 . . . . . A 41 ASN CB . 18712 1 416 . 1 1 41 41 ASN N N 15 115.439 0.000 . . . . . A 41 ASN N . 18712 1 417 . 1 1 41 41 ASN ND2 N 15 114.953 0.000 . . . . . A 41 ASN ND2 . 18712 1 418 . 1 1 42 42 LEU H H 1 7.719 0.000 . . . . . A 42 LEU H . 18712 1 419 . 1 1 42 42 LEU HA H 1 4.403 0.000 . . . . . A 42 LEU HA . 18712 1 420 . 1 1 42 42 LEU HB2 H 1 1.907 0.000 . . . . . A 42 LEU HB2 . 18712 1 421 . 1 1 42 42 LEU HB3 H 1 1.115 0.000 . . . . . A 42 LEU HB3 . 18712 1 422 . 1 1 42 42 LEU HG H 1 1.643 0.000 . . . . . A 42 LEU HG . 18712 1 423 . 1 1 42 42 LEU HD11 H 1 0.428 0.000 . . . . . A 42 LEU HD11 . 18712 1 424 . 1 1 42 42 LEU HD12 H 1 0.428 0.000 . . . . . A 42 LEU HD12 . 18712 1 425 . 1 1 42 42 LEU HD13 H 1 0.428 0.000 . . . . . A 42 LEU HD13 . 18712 1 426 . 1 1 42 42 LEU HD21 H 1 0.787 0.000 . . . . . A 42 LEU HD21 . 18712 1 427 . 1 1 42 42 LEU HD22 H 1 0.787 0.000 . . . . . A 42 LEU HD22 . 18712 1 428 . 1 1 42 42 LEU HD23 H 1 0.787 0.000 . . . . . A 42 LEU HD23 . 18712 1 429 . 1 1 42 42 LEU CA C 13 54.062 0.000 . . . . . A 42 LEU CA . 18712 1 430 . 1 1 42 42 LEU CB C 13 42.812 0.000 . . . . . A 42 LEU CB . 18712 1 431 . 1 1 42 42 LEU CG C 13 27.344 0.000 . . . . . A 42 LEU CG . 18712 1 432 . 1 1 42 42 LEU CD1 C 13 21.719 0.000 . . . . . A 42 LEU CD1 . 18712 1 433 . 1 1 42 42 LEU CD2 C 13 25.938 0.000 . . . . . A 42 LEU CD2 . 18712 1 434 . 1 1 42 42 LEU N N 15 118.703 0.000 . . . . . A 42 LEU N . 18712 1 435 . 1 1 43 43 ASP H H 1 8.933 0.000 . . . . . A 43 ASP H . 18712 1 436 . 1 1 43 43 ASP HA H 1 4.481 0.000 . . . . . A 43 ASP HA . 18712 1 437 . 1 1 43 43 ASP HB2 H 1 3.365 0.000 . . . . . A 43 ASP HB2 . 18712 1 438 . 1 1 43 43 ASP HB3 H 1 2.632 0.000 . . . . . A 43 ASP HB3 . 18712 1 439 . 1 1 43 43 ASP CA C 13 52.656 0.000 . . . . . A 43 ASP CA . 18712 1 440 . 1 1 43 43 ASP CB C 13 39.648 0.000 . . . . . A 43 ASP CB . 18712 1 441 . 1 1 43 43 ASP N N 15 122.791 0.000 . . . . . A 43 ASP N . 18712 1 442 . 1 1 44 44 ASP H H 1 8.281 0.000 . . . . . A 44 ASP H . 18712 1 443 . 1 1 44 44 ASP HA H 1 4.278 0.000 . . . . . A 44 ASP HA . 18712 1 444 . 1 1 44 44 ASP HB2 H 1 2.714 0.000 . . . . . A 44 ASP HB2 . 18712 1 445 . 1 1 44 44 ASP HB3 H 1 2.632 0.000 . . . . . A 44 ASP HB3 . 18712 1 446 . 1 1 44 44 ASP CA C 13 56.875 0.000 . . . . . A 44 ASP CA . 18712 1 447 . 1 1 44 44 ASP CB C 13 40.000 0.000 . . . . . A 44 ASP CB . 18712 1 448 . 1 1 44 44 ASP N N 15 114.917 0.000 . . . . . A 44 ASP N . 18712 1 449 . 1 1 45 45 ARG H H 1 8.500 0.000 . . . . . A 45 ARG H . 18712 1 450 . 1 1 45 45 ARG HA H 1 4.366 0.000 . . . . . A 45 ARG HA . 18712 1 451 . 1 1 45 45 ARG HB2 H 1 2.172 0.000 . . . . . A 45 ARG HB2 . 18712 1 452 . 1 1 45 45 ARG HB3 H 1 1.843 0.000 . . . . . A 45 ARG HB3 . 18712 1 453 . 1 1 45 45 ARG HG2 H 1 1.632 0.000 . . . . . A 45 ARG HG2 . 18712 1 454 . 1 1 45 45 ARG HD2 H 1 3.379 0.000 . . . . . A 45 ARG HD2 . 18712 1 455 . 1 1 45 45 ARG CA C 13 55.117 0.000 . . . . . A 45 ARG CA . 18712 1 456 . 1 1 45 45 ARG CB C 13 30.859 0.000 . . . . . A 45 ARG CB . 18712 1 457 . 1 1 45 45 ARG CD C 13 43.516 0.000 . . . . . A 45 ARG CD . 18712 1 458 . 1 1 45 45 ARG N N 15 118.140 0.000 . . . . . A 45 ARG N . 18712 1 459 . 1 1 46 46 GLY H H 1 7.680 0.000 . . . . . A 46 GLY H . 18712 1 460 . 1 1 46 46 GLY HA2 H 1 4.177 0.000 . . . . . A 46 GLY HA2 . 18712 1 461 . 1 1 46 46 GLY HA3 H 1 3.063 0.000 . . . . . A 46 GLY HA3 . 18712 1 462 . 1 1 46 46 GLY CA C 13 45.273 0.000 . . . . . A 46 GLY CA . 18712 1 463 . 1 1 46 46 GLY N N 15 101.828 0.000 . . . . . A 46 GLY N . 18712 1 464 . 1 1 47 47 VAL H H 1 8.007 0.000 . . . . . A 47 VAL H . 18712 1 465 . 1 1 47 47 VAL HA H 1 4.406 0.000 . . . . . A 47 VAL HA . 18712 1 466 . 1 1 47 47 VAL HB H 1 2.070 0.000 . . . . . A 47 VAL HB . 18712 1 467 . 1 1 47 47 VAL HG11 H 1 1.022 0.000 . . . . . A 47 VAL HG11 . 18712 1 468 . 1 1 47 47 VAL HG12 H 1 1.022 0.000 . . . . . A 47 VAL HG12 . 18712 1 469 . 1 1 47 47 VAL HG13 H 1 1.022 0.000 . . . . . A 47 VAL HG13 . 18712 1 470 . 1 1 47 47 VAL HG21 H 1 0.747 0.000 . . . . . A 47 VAL HG21 . 18712 1 471 . 1 1 47 47 VAL HG22 H 1 0.747 0.000 . . . . . A 47 VAL HG22 . 18712 1 472 . 1 1 47 47 VAL HG23 H 1 0.747 0.000 . . . . . A 47 VAL HG23 . 18712 1 473 . 1 1 47 47 VAL CA C 13 61.796 0.000 . . . . . A 47 VAL CA . 18712 1 474 . 1 1 47 47 VAL CB C 13 33.672 0.000 . . . . . A 47 VAL CB . 18712 1 475 . 1 1 47 47 VAL CG1 C 13 23.125 0.000 . . . . . A 47 VAL CG1 . 18712 1 476 . 1 1 47 47 VAL CG2 C 13 22.071 0.000 . . . . . A 47 VAL CG2 . 18712 1 477 . 1 1 47 47 VAL N N 15 119.955 0.000 . . . . . A 47 VAL N . 18712 1 478 . 1 1 48 48 ILE H H 1 8.145 0.000 . . . . . A 48 ILE H . 18712 1 479 . 1 1 48 48 ILE HA H 1 4.202 0.000 . . . . . A 48 ILE HA . 18712 1 480 . 1 1 48 48 ILE HB H 1 2.144 0.000 . . . . . A 48 ILE HB . 18712 1 481 . 1 1 48 48 ILE HG12 H 1 1.292 0.000 . . . . . A 48 ILE HG12 . 18712 1 482 . 1 1 48 48 ILE HG21 H 1 0.882 0.000 . . . . . A 48 ILE HG21 . 18712 1 483 . 1 1 48 48 ILE HG22 H 1 0.882 0.000 . . . . . A 48 ILE HG22 . 18712 1 484 . 1 1 48 48 ILE HG23 H 1 0.882 0.000 . . . . . A 48 ILE HG23 . 18712 1 485 . 1 1 48 48 ILE HD11 H 1 0.907 0.000 . . . . . A 48 ILE HD11 . 18712 1 486 . 1 1 48 48 ILE HD12 H 1 0.907 0.000 . . . . . A 48 ILE HD12 . 18712 1 487 . 1 1 48 48 ILE HD13 H 1 0.907 0.000 . . . . . A 48 ILE HD13 . 18712 1 488 . 1 1 48 48 ILE CA C 13 59.687 0.000 . . . . . A 48 ILE CA . 18712 1 489 . 1 1 48 48 ILE CB C 13 38.945 0.000 . . . . . A 48 ILE CB . 18712 1 490 . 1 1 48 48 ILE CG1 C 13 29.102 0.000 . . . . . A 48 ILE CG1 . 18712 1 491 . 1 1 48 48 ILE CG2 C 13 18.906 0.000 . . . . . A 48 ILE CG2 . 18712 1 492 . 1 1 48 48 ILE CD1 C 13 15.742 0.000 . . . . . A 48 ILE CD1 . 18712 1 493 . 1 1 48 48 ILE N N 15 128.406 0.000 . . . . . A 48 ILE N . 18712 1 494 . 1 1 49 49 ARG H H 1 7.447 0.000 . . . . . A 49 ARG H . 18712 1 495 . 1 1 49 49 ARG HA H 1 4.328 0.000 . . . . . A 49 ARG HA . 18712 1 496 . 1 1 49 49 ARG HB2 H 1 1.744 0.000 . . . . . A 49 ARG HB2 . 18712 1 497 . 1 1 49 49 ARG HB3 H 1 1.632 0.000 . . . . . A 49 ARG HB3 . 18712 1 498 . 1 1 49 49 ARG HG2 H 1 1.675 0.000 . . . . . A 49 ARG HG2 . 18712 1 499 . 1 1 49 49 ARG HD2 H 1 3.170 0.000 . . . . . A 49 ARG HD2 . 18712 1 500 . 1 1 49 49 ARG HD3 H 1 3.170 0.000 . . . . . A 49 ARG HD3 . 18712 1 501 . 1 1 49 49 ARG CA C 13 56.875 0.000 . . . . . A 49 ARG CA . 18712 1 502 . 1 1 49 49 ARG CB C 13 31.563 0.000 . . . . . A 49 ARG CB . 18712 1 503 . 1 1 49 49 ARG N N 15 123.765 0.000 . . . . . A 49 ARG N . 18712 1 504 . 1 1 50 50 ILE H H 1 8.284 0.000 . . . . . A 50 ILE H . 18712 1 505 . 1 1 50 50 ILE HA H 1 3.414 0.000 . . . . . A 50 ILE HA . 18712 1 506 . 1 1 50 50 ILE HB H 1 1.835 0.000 . . . . . A 50 ILE HB . 18712 1 507 . 1 1 50 50 ILE HG12 H 1 0.807 0.000 . . . . . A 50 ILE HG12 . 18712 1 508 . 1 1 50 50 ILE HG13 H 1 1.835 0.000 . . . . . A 50 ILE HG13 . 18712 1 509 . 1 1 50 50 ILE HG21 H 1 0.847 0.000 . . . . . A 50 ILE HG21 . 18712 1 510 . 1 1 50 50 ILE HG22 H 1 0.847 0.000 . . . . . A 50 ILE HG22 . 18712 1 511 . 1 1 50 50 ILE HG23 H 1 0.847 0.000 . . . . . A 50 ILE HG23 . 18712 1 512 . 1 1 50 50 ILE HD11 H 1 1.119 0.000 . . . . . A 50 ILE HD11 . 18712 1 513 . 1 1 50 50 ILE HD12 H 1 1.119 0.000 . . . . . A 50 ILE HD12 . 18712 1 514 . 1 1 50 50 ILE HD13 H 1 1.119 0.000 . . . . . A 50 ILE HD13 . 18712 1 515 . 1 1 50 50 ILE CA C 13 64.609 0.000 . . . . . A 50 ILE CA . 18712 1 516 . 1 1 50 50 ILE CG1 C 13 30.332 0.176 . . . . . A 50 ILE CG1 . 18712 1 517 . 1 1 50 50 ILE CG2 C 13 17.500 0.000 . . . . . A 50 ILE CG2 . 18712 1 518 . 1 1 50 50 ILE CD1 C 13 13.985 0.000 . . . . . A 50 ILE CD1 . 18712 1 519 . 1 1 50 50 ILE N N 15 121.094 0.000 . . . . . A 50 ILE N . 18712 1 520 . 1 1 51 51 GLY H H 1 8.679 0.000 . . . . . A 51 GLY H . 18712 1 521 . 1 1 51 51 GLY HA2 H 1 4.386 0.000 . . . . . A 51 GLY HA2 . 18712 1 522 . 1 1 51 51 GLY HA3 H 1 3.564 0.000 . . . . . A 51 GLY HA3 . 18712 1 523 . 1 1 51 51 GLY CA C 13 44.922 0.000 . . . . . A 51 GLY CA . 18712 1 524 . 1 1 51 51 GLY N N 15 115.791 0.000 . . . . . A 51 GLY N . 18712 1 525 . 1 1 52 52 ALA H H 1 7.496 0.000 . . . . . A 52 ALA H . 18712 1 526 . 1 1 52 52 ALA HA H 1 4.246 0.000 . . . . . A 52 ALA HA . 18712 1 527 . 1 1 52 52 ALA HB1 H 1 1.337 0.000 . . . . . A 52 ALA HB1 . 18712 1 528 . 1 1 52 52 ALA HB2 H 1 1.337 0.000 . . . . . A 52 ALA HB2 . 18712 1 529 . 1 1 52 52 ALA HB3 H 1 1.337 0.000 . . . . . A 52 ALA HB3 . 18712 1 530 . 1 1 52 52 ALA CA C 13 52.656 0.000 . . . . . A 52 ALA CA . 18712 1 531 . 1 1 52 52 ALA CB C 13 18.906 0.000 . . . . . A 52 ALA CB . 18712 1 532 . 1 1 52 52 ALA N N 15 122.065 0.000 . . . . . A 52 ALA N . 18712 1 533 . 1 1 53 53 GLU H H 1 8.427 0.000 . . . . . A 53 GLU H . 18712 1 534 . 1 1 53 53 GLU HA H 1 4.892 0.000 . . . . . A 53 GLU HA . 18712 1 535 . 1 1 53 53 GLU HB2 H 1 1.983 0.000 . . . . . A 53 GLU HB2 . 18712 1 536 . 1 1 53 53 GLU HB3 H 1 1.871 0.000 . . . . . A 53 GLU HB3 . 18712 1 537 . 1 1 53 53 GLU HG2 H 1 2.234 0.000 . . . . . A 53 GLU HG2 . 18712 1 538 . 1 1 53 53 GLU CB C 13 30.508 0.000 . . . . . A 53 GLU CB . 18712 1 539 . 1 1 53 53 GLU CG C 13 36.484 0.000 . . . . . A 53 GLU CG . 18712 1 540 . 1 1 53 53 GLU N N 15 121.468 0.000 . . . . . A 53 GLU N . 18712 1 541 . 1 1 54 54 VAL H H 1 9.002 0.000 . . . . . A 54 VAL H . 18712 1 542 . 1 1 54 54 VAL HA H 1 4.979 0.000 . . . . . A 54 VAL HA . 18712 1 543 . 1 1 54 54 VAL HB H 1 2.204 0.000 . . . . . A 54 VAL HB . 18712 1 544 . 1 1 54 54 VAL HG11 H 1 0.782 0.000 . . . . . A 54 VAL HG11 . 18712 1 545 . 1 1 54 54 VAL HG12 H 1 0.782 0.000 . . . . . A 54 VAL HG12 . 18712 1 546 . 1 1 54 54 VAL HG13 H 1 0.782 0.000 . . . . . A 54 VAL HG13 . 18712 1 547 . 1 1 54 54 VAL HG21 H 1 0.750 0.000 . . . . . A 54 VAL HG21 . 18712 1 548 . 1 1 54 54 VAL HG22 H 1 0.750 0.000 . . . . . A 54 VAL HG22 . 18712 1 549 . 1 1 54 54 VAL HG23 H 1 0.750 0.000 . . . . . A 54 VAL HG23 . 18712 1 550 . 1 1 54 54 VAL CA C 13 58.632 0.000 . . . . . A 54 VAL CA . 18712 1 551 . 1 1 54 54 VAL CB C 13 35.781 0.000 . . . . . A 54 VAL CB . 18712 1 552 . 1 1 54 54 VAL CG1 C 13 18.906 0.000 . . . . . A 54 VAL CG1 . 18712 1 553 . 1 1 54 54 VAL CG2 C 13 24.180 0.000 . . . . . A 54 VAL CG2 . 18712 1 554 . 1 1 54 54 VAL N N 15 117.437 0.000 . . . . . A 54 VAL N . 18712 1 555 . 1 1 55 55 LYS H H 1 9.244 0.000 . . . . . A 55 LYS H . 18712 1 556 . 1 1 55 55 LYS HA H 1 4.698 0.000 . . . . . A 55 LYS HA . 18712 1 557 . 1 1 55 55 LYS HB2 H 1 1.834 0.000 . . . . . A 55 LYS HB2 . 18712 1 558 . 1 1 55 55 LYS HB3 H 1 1.760 0.000 . . . . . A 55 LYS HB3 . 18712 1 559 . 1 1 55 55 LYS HG2 H 1 1.468 0.000 . . . . . A 55 LYS HG2 . 18712 1 560 . 1 1 55 55 LYS HG3 H 1 1.343 0.000 . . . . . A 55 LYS HG3 . 18712 1 561 . 1 1 55 55 LYS HD2 H 1 1.666 0.000 . . . . . A 55 LYS HD2 . 18712 1 562 . 1 1 55 55 LYS HE2 H 1 2.884 0.000 . . . . . A 55 LYS HE2 . 18712 1 563 . 1 1 55 55 LYS CA C 13 53.359 0.000 . . . . . A 55 LYS CA . 18712 1 564 . 1 1 55 55 LYS CB C 13 35.781 0.000 . . . . . A 55 LYS CB . 18712 1 565 . 1 1 55 55 LYS CG C 13 24.180 0.000 . . . . . A 55 LYS CG . 18712 1 566 . 1 1 55 55 LYS CD C 13 28.750 0.000 . . . . . A 55 LYS CD . 18712 1 567 . 1 1 55 55 LYS N N 15 123.906 0.000 . . . . . A 55 LYS N . 18712 1 568 . 1 1 56 56 ASP H H 1 8.176 0.000 . . . . . A 56 ASP H . 18712 1 569 . 1 1 56 56 ASP HA H 1 3.764 0.000 . . . . . A 56 ASP HA . 18712 1 570 . 1 1 56 56 ASP HB2 H 1 2.544 0.000 . . . . . A 56 ASP HB2 . 18712 1 571 . 1 1 56 56 ASP HB3 H 1 2.472 0.000 . . . . . A 56 ASP HB3 . 18712 1 572 . 1 1 56 56 ASP CA C 13 56.172 0.000 . . . . . A 56 ASP CA . 18712 1 573 . 1 1 56 56 ASP CB C 13 40.000 0.000 . . . . . A 56 ASP CB . 18712 1 574 . 1 1 56 56 ASP N N 15 118.562 0.000 . . . . . A 56 ASP N . 18712 1 575 . 1 1 57 57 GLY H H 1 8.841 0.000 . . . . . A 57 GLY H . 18712 1 576 . 1 1 57 57 GLY HA2 H 1 3.746 0.000 . . . . . A 57 GLY HA2 . 18712 1 577 . 1 1 57 57 GLY HA3 H 1 3.550 0.000 . . . . . A 57 GLY HA3 . 18712 1 578 . 1 1 57 57 GLY CA C 13 45.625 0.000 . . . . . A 57 GLY CA . 18712 1 579 . 1 1 57 57 GLY N N 15 112.515 0.000 . . . . . A 57 GLY N . 18712 1 580 . 1 1 58 58 ASP H H 1 8.209 0.000 . . . . . A 58 ASP H . 18712 1 581 . 1 1 58 58 ASP HA H 1 4.532 0.000 . . . . . A 58 ASP HA . 18712 1 582 . 1 1 58 58 ASP HB2 H 1 2.898 0.000 . . . . . A 58 ASP HB2 . 18712 1 583 . 1 1 58 58 ASP HB3 H 1 2.826 0.000 . . . . . A 58 ASP HB3 . 18712 1 584 . 1 1 58 58 ASP CA C 13 54.765 0.000 . . . . . A 58 ASP CA . 18712 1 585 . 1 1 58 58 ASP CB C 13 41.055 0.000 . . . . . A 58 ASP CB . 18712 1 586 . 1 1 58 58 ASP N N 15 121.375 0.000 . . . . . A 58 ASP N . 18712 1 587 . 1 1 59 59 LEU H H 1 8.570 0.000 . . . . . A 59 LEU H . 18712 1 588 . 1 1 59 59 LEU HA H 1 3.976 0.000 . . . . . A 59 LEU HA . 18712 1 589 . 1 1 59 59 LEU HB2 H 1 1.710 0.000 . . . . . A 59 LEU HB2 . 18712 1 590 . 1 1 59 59 LEU HB3 H 1 1.140 0.000 . . . . . A 59 LEU HB3 . 18712 1 591 . 1 1 59 59 LEU HD11 H 1 0.862 0.000 . . . . . A 59 LEU HD11 . 18712 1 592 . 1 1 59 59 LEU HD12 H 1 0.862 0.000 . . . . . A 59 LEU HD12 . 18712 1 593 . 1 1 59 59 LEU HD13 H 1 0.862 0.000 . . . . . A 59 LEU HD13 . 18712 1 594 . 1 1 59 59 LEU CA C 13 56.875 0.000 . . . . . A 59 LEU CA . 18712 1 595 . 1 1 59 59 LEU CB C 13 44.219 0.000 . . . . . A 59 LEU CB . 18712 1 596 . 1 1 59 59 LEU CD1 C 13 25.235 0.000 . . . . . A 59 LEU CD1 . 18712 1 597 . 1 1 59 59 LEU N N 15 119.828 0.000 . . . . . A 59 LEU N . 18712 1 598 . 1 1 60 60 LEU H H 1 8.816 0.000 . . . . . A 60 LEU H . 18712 1 599 . 1 1 60 60 LEU HA H 1 4.518 0.000 . . . . . A 60 LEU HA . 18712 1 600 . 1 1 60 60 LEU HB2 H 1 1.503 0.000 . . . . . A 60 LEU HB2 . 18712 1 601 . 1 1 60 60 LEU HB3 H 1 1.141 0.000 . . . . . A 60 LEU HB3 . 18712 1 602 . 1 1 60 60 LEU HG H 1 1.442 0.000 . . . . . A 60 LEU HG . 18712 1 603 . 1 1 60 60 LEU HD11 H 1 0.737 0.000 . . . . . A 60 LEU HD11 . 18712 1 604 . 1 1 60 60 LEU HD12 H 1 0.737 0.000 . . . . . A 60 LEU HD12 . 18712 1 605 . 1 1 60 60 LEU HD13 H 1 0.737 0.000 . . . . . A 60 LEU HD13 . 18712 1 606 . 1 1 60 60 LEU CB C 13 44.922 0.000 . . . . . A 60 LEU CB . 18712 1 607 . 1 1 60 60 LEU CD1 C 13 24.180 0.000 . . . . . A 60 LEU CD1 . 18712 1 608 . 1 1 60 60 LEU N N 15 116.594 0.000 . . . . . A 60 LEU N . 18712 1 609 . 1 1 61 61 VAL H H 1 7.322 0.000 . . . . . A 61 VAL H . 18712 1 610 . 1 1 61 61 VAL HA H 1 4.618 0.000 . . . . . A 61 VAL HA . 18712 1 611 . 1 1 61 61 VAL HB H 1 2.031 0.000 . . . . . A 61 VAL HB . 18712 1 612 . 1 1 61 61 VAL HG11 H 1 0.848 0.000 . . . . . A 61 VAL HG11 . 18712 1 613 . 1 1 61 61 VAL HG12 H 1 0.848 0.000 . . . . . A 61 VAL HG12 . 18712 1 614 . 1 1 61 61 VAL HG13 H 1 0.848 0.000 . . . . . A 61 VAL HG13 . 18712 1 615 . 1 1 61 61 VAL HG21 H 1 0.733 0.000 . . . . . A 61 VAL HG21 . 18712 1 616 . 1 1 61 61 VAL HG22 H 1 0.733 0.000 . . . . . A 61 VAL HG22 . 18712 1 617 . 1 1 61 61 VAL HG23 H 1 0.733 0.000 . . . . . A 61 VAL HG23 . 18712 1 618 . 1 1 61 61 VAL CA C 13 61.093 0.000 . . . . . A 61 VAL CA . 18712 1 619 . 1 1 61 61 VAL CB C 13 36.484 0.000 . . . . . A 61 VAL CB . 18712 1 620 . 1 1 61 61 VAL CG1 C 13 22.422 0.000 . . . . . A 61 VAL CG1 . 18712 1 621 . 1 1 61 61 VAL N N 15 115.656 0.000 . . . . . A 61 VAL N . 18712 1 622 . 1 1 62 62 GLY H H 1 9.563 0.000 . . . . . A 62 GLY H . 18712 1 623 . 1 1 62 62 GLY HA2 H 1 4.062 0.000 . . . . . A 62 GLY HA2 . 18712 1 624 . 1 1 62 62 GLY HA3 H 1 3.723 0.000 . . . . . A 62 GLY HA3 . 18712 1 625 . 1 1 62 62 GLY CA C 13 45.625 0.000 . . . . . A 62 GLY CA . 18712 1 626 . 1 1 62 62 GLY N N 15 117.191 0.000 . . . . . A 62 GLY N . 18712 1 627 . 1 1 63 63 LYS H H 1 8.712 0.000 . . . . . A 63 LYS H . 18712 1 628 . 1 1 63 63 LYS HA H 1 5.328 0.000 . . . . . A 63 LYS HA . 18712 1 629 . 1 1 63 63 LYS HB2 H 1 1.496 0.000 . . . . . A 63 LYS HB2 . 18712 1 630 . 1 1 63 63 LYS HB3 H 1 1.259 0.000 . . . . . A 63 LYS HB3 . 18712 1 631 . 1 1 63 63 LYS CA C 13 56.172 0.000 . . . . . A 63 LYS CA . 18712 1 632 . 1 1 63 63 LYS CB C 13 35.078 0.000 . . . . . A 63 LYS CB . 18712 1 633 . 1 1 63 63 LYS N N 15 127.584 0.000 . . . . . A 63 LYS N . 18712 1 634 . 1 1 64 64 VAL H H 1 8.481 0.000 . . . . . A 64 VAL H . 18712 1 635 . 1 1 64 64 VAL HA H 1 5.523 0.000 . . . . . A 64 VAL HA . 18712 1 636 . 1 1 64 64 VAL HB H 1 1.886 0.000 . . . . . A 64 VAL HB . 18712 1 637 . 1 1 64 64 VAL HG11 H 1 0.806 0.000 . . . . . A 64 VAL HG11 . 18712 1 638 . 1 1 64 64 VAL HG12 H 1 0.806 0.000 . . . . . A 64 VAL HG12 . 18712 1 639 . 1 1 64 64 VAL HG13 H 1 0.806 0.000 . . . . . A 64 VAL HG13 . 18712 1 640 . 1 1 64 64 VAL HG21 H 1 0.885 0.000 . . . . . A 64 VAL HG21 . 18712 1 641 . 1 1 64 64 VAL HG22 H 1 0.885 0.000 . . . . . A 64 VAL HG22 . 18712 1 642 . 1 1 64 64 VAL HG23 H 1 0.885 0.000 . . . . . A 64 VAL HG23 . 18712 1 643 . 1 1 64 64 VAL CA C 13 57.578 0.000 . . . . . A 64 VAL CA . 18712 1 644 . 1 1 64 64 VAL CB C 13 35.781 0.000 . . . . . A 64 VAL CB . 18712 1 645 . 1 1 64 64 VAL CG1 C 13 21.719 0.000 . . . . . A 64 VAL CG1 . 18712 1 646 . 1 1 64 64 VAL CG2 C 13 18.203 0.000 . . . . . A 64 VAL CG2 . 18712 1 647 . 1 1 64 64 VAL N N 15 114.383 0.000 . . . . . A 64 VAL N . 18712 1 648 . 1 1 65 65 THR H H 1 8.637 0.000 . . . . . A 65 THR H . 18712 1 649 . 1 1 65 65 THR HA H 1 4.602 0.000 . . . . . A 65 THR HA . 18712 1 650 . 1 1 65 65 THR HB H 1 3.623 0.000 . . . . . A 65 THR HB . 18712 1 651 . 1 1 65 65 THR HG21 H 1 1.507 0.000 . . . . . A 65 THR HG21 . 18712 1 652 . 1 1 65 65 THR HG22 H 1 1.507 0.000 . . . . . A 65 THR HG22 . 18712 1 653 . 1 1 65 65 THR HG23 H 1 1.507 0.000 . . . . . A 65 THR HG23 . 18712 1 654 . 1 1 65 65 THR CA C 13 59.687 0.000 . . . . . A 65 THR CA . 18712 1 655 . 1 1 65 65 THR CB C 13 72.343 0.000 . . . . . A 65 THR CB . 18712 1 656 . 1 1 65 65 THR CG2 C 13 21.016 0.000 . . . . . A 65 THR CG2 . 18712 1 657 . 1 1 65 65 THR N N 15 118.431 0.000 . . . . . A 65 THR N . 18712 1 658 . 1 1 66 66 PRO HA H 1 4.557 0.000 . . . . . A 66 PRO HA . 18712 1 659 . 1 1 66 66 PRO HB2 H 1 2.306 0.000 . . . . . A 66 PRO HB2 . 18712 1 660 . 1 1 66 66 PRO HB3 H 1 1.694 0.000 . . . . . A 66 PRO HB3 . 18712 1 661 . 1 1 66 66 PRO HG2 H 1 1.691 0.000 . . . . . A 66 PRO HG2 . 18712 1 662 . 1 1 66 66 PRO HG3 H 1 1.644 0.000 . . . . . A 66 PRO HG3 . 18712 1 663 . 1 1 66 66 PRO HD2 H 1 3.447 0.000 . . . . . A 66 PRO HD2 . 18712 1 664 . 1 1 66 66 PRO HD3 H 1 3.745 0.000 . . . . . A 66 PRO HD3 . 18712 1 665 . 1 1 66 66 PRO CA C 13 63.906 0.000 . . . . . A 66 PRO CA . 18712 1 666 . 1 1 66 66 PRO CB C 13 32.969 0.000 . . . . . A 66 PRO CB . 18712 1 667 . 1 1 66 66 PRO CG C 13 27.695 0.000 . . . . . A 66 PRO CG . 18712 1 668 . 1 1 66 66 PRO CD C 13 51.250 0.000 . . . . . A 66 PRO CD . 18712 1 669 . 1 1 67 67 LYS H H 1 8.371 0.000 . . . . . A 67 LYS H . 18712 1 670 . 1 1 67 67 LYS HA H 1 4.391 0.000 . . . . . A 67 LYS HA . 18712 1 671 . 1 1 67 67 LYS HB2 H 1 1.611 0.000 . . . . . A 67 LYS HB2 . 18712 1 672 . 1 1 67 67 LYS HB3 H 1 1.518 0.000 . . . . . A 67 LYS HB3 . 18712 1 673 . 1 1 67 67 LYS HG2 H 1 1.229 0.000 . . . . . A 67 LYS HG2 . 18712 1 674 . 1 1 67 67 LYS HD2 H 1 1.548 0.000 . . . . . A 67 LYS HD2 . 18712 1 675 . 1 1 67 67 LYS HD3 H 1 1.483 0.000 . . . . . A 67 LYS HD3 . 18712 1 676 . 1 1 67 67 LYS HE2 H 1 2.835 0.000 . . . . . A 67 LYS HE2 . 18712 1 677 . 1 1 67 67 LYS CA C 13 56.172 0.000 . . . . . A 67 LYS CA . 18712 1 678 . 1 1 67 67 LYS CB C 13 35.078 0.000 . . . . . A 67 LYS CB . 18712 1 679 . 1 1 67 67 LYS CG C 13 25.235 0.000 . . . . . A 67 LYS CG . 18712 1 680 . 1 1 67 67 LYS CD C 13 30.156 0.000 . . . . . A 67 LYS CD . 18712 1 681 . 1 1 67 67 LYS CE C 13 42.109 0.000 . . . . . A 67 LYS CE . 18712 1 682 . 1 1 67 67 LYS N N 15 122.359 0.000 . . . . . A 67 LYS N . 18712 1 683 . 1 1 68 68 GLY H H 1 8.583 0.000 . . . . . A 68 GLY H . 18712 1 684 . 1 1 68 68 GLY HA2 H 1 4.167 0.000 . . . . . A 68 GLY HA2 . 18712 1 685 . 1 1 68 68 GLY HA3 H 1 3.876 0.000 . . . . . A 68 GLY HA3 . 18712 1 686 . 1 1 68 68 GLY CA C 13 44.922 0.000 . . . . . A 68 GLY CA . 18712 1 687 . 1 1 68 68 GLY N N 15 109.563 0.000 . . . . . A 68 GLY N . 18712 1 688 . 1 1 69 69 VAL H H 1 8.235 0.000 . . . . . A 69 VAL H . 18712 1 689 . 1 1 69 69 VAL HA H 1 4.032 0.000 . . . . . A 69 VAL HA . 18712 1 690 . 1 1 69 69 VAL HB H 1 2.109 0.000 . . . . . A 69 VAL HB . 18712 1 691 . 1 1 69 69 VAL HG11 H 1 0.938 0.000 . . . . . A 69 VAL HG11 . 18712 1 692 . 1 1 69 69 VAL HG12 H 1 0.938 0.000 . . . . . A 69 VAL HG12 . 18712 1 693 . 1 1 69 69 VAL HG13 H 1 0.938 0.000 . . . . . A 69 VAL HG13 . 18712 1 694 . 1 1 69 69 VAL CA C 13 63.203 0.000 . . . . . A 69 VAL CA . 18712 1 695 . 1 1 69 69 VAL CB C 13 32.266 0.000 . . . . . A 69 VAL CB . 18712 1 696 . 1 1 69 69 VAL CG1 C 13 21.016 0.000 . . . . . A 69 VAL CG1 . 18712 1 697 . 1 1 69 69 VAL N N 15 118.378 0.000 . . . . . A 69 VAL N . 18712 1 698 . 1 1 70 70 THR H H 1 8.085 0.000 . . . . . A 70 THR H . 18712 1 699 . 1 1 70 70 THR HA H 1 4.281 0.000 . . . . . A 70 THR HA . 18712 1 700 . 1 1 70 70 THR HB H 1 4.275 0.000 . . . . . A 70 THR HB . 18712 1 701 . 1 1 70 70 THR HG21 H 1 1.226 0.000 . . . . . A 70 THR HG21 . 18712 1 702 . 1 1 70 70 THR HG22 H 1 1.226 0.000 . . . . . A 70 THR HG22 . 18712 1 703 . 1 1 70 70 THR HG23 H 1 1.226 0.000 . . . . . A 70 THR HG23 . 18712 1 704 . 1 1 70 70 THR CA C 13 62.500 0.000 . . . . . A 70 THR CA . 18712 1 705 . 1 1 70 70 THR CB C 13 69.531 0.000 . . . . . A 70 THR CB . 18712 1 706 . 1 1 70 70 THR CG2 C 13 21.719 0.000 . . . . . A 70 THR CG2 . 18712 1 707 . 1 1 70 70 THR N N 15 114.484 0.000 . . . . . A 70 THR N . 18712 1 708 . 1 1 71 71 GLU H H 1 8.175 0.000 . . . . . A 71 GLU H . 18712 1 709 . 1 1 71 71 GLU HA H 1 4.325 0.000 . . . . . A 71 GLU HA . 18712 1 710 . 1 1 71 71 GLU HB2 H 1 2.105 0.000 . . . . . A 71 GLU HB2 . 18712 1 711 . 1 1 71 71 GLU HB3 H 1 1.995 0.000 . . . . . A 71 GLU HB3 . 18712 1 712 . 1 1 71 71 GLU CA C 13 56.172 0.000 . . . . . A 71 GLU CA . 18712 1 713 . 1 1 71 71 GLU CB C 13 30.859 0.000 . . . . . A 71 GLU CB . 18712 1 714 . 1 1 71 71 GLU N N 15 121.656 0.000 . . . . . A 71 GLU N . 18712 1 715 . 1 1 72 72 LEU H H 1 7.770 0.000 . . . . . A 72 LEU H . 18712 1 716 . 1 1 72 72 LEU HA H 1 4.534 0.000 . . . . . A 72 LEU HA . 18712 1 717 . 1 1 72 72 LEU HB2 H 1 1.658 0.000 . . . . . A 72 LEU HB2 . 18712 1 718 . 1 1 72 72 LEU HB3 H 1 1.553 0.000 . . . . . A 72 LEU HB3 . 18712 1 719 . 1 1 72 72 LEU HD11 H 1 0.730 0.000 . . . . . A 72 LEU HD11 . 18712 1 720 . 1 1 72 72 LEU HD12 H 1 0.730 0.000 . . . . . A 72 LEU HD12 . 18712 1 721 . 1 1 72 72 LEU HD13 H 1 0.730 0.000 . . . . . A 72 LEU HD13 . 18712 1 722 . 1 1 72 72 LEU CA C 13 54.765 0.000 . . . . . A 72 LEU CA . 18712 1 723 . 1 1 72 72 LEU CB C 13 42.812 0.000 . . . . . A 72 LEU CB . 18712 1 724 . 1 1 72 72 LEU CD1 C 13 22.774 0.000 . . . . . A 72 LEU CD1 . 18712 1 725 . 1 1 72 72 LEU N N 15 122.219 0.000 . . . . . A 72 LEU N . 18712 1 726 . 1 1 73 73 THR H H 1 8.869 0.000 . . . . . A 73 THR H . 18712 1 727 . 1 1 73 73 THR HA H 1 4.405 0.000 . . . . . A 73 THR HA . 18712 1 728 . 1 1 73 73 THR HB H 1 4.672 0.000 . . . . . A 73 THR HB . 18712 1 729 . 1 1 73 73 THR HG21 H 1 1.335 0.000 . . . . . A 73 THR HG21 . 18712 1 730 . 1 1 73 73 THR HG22 H 1 1.335 0.000 . . . . . A 73 THR HG22 . 18712 1 731 . 1 1 73 73 THR HG23 H 1 1.335 0.000 . . . . . A 73 THR HG23 . 18712 1 732 . 1 1 73 73 THR CA C 13 61.093 0.000 . . . . . A 73 THR CA . 18712 1 733 . 1 1 73 73 THR CB C 13 70.937 0.000 . . . . . A 73 THR CB . 18712 1 734 . 1 1 73 73 THR CG2 C 13 21.719 0.000 . . . . . A 73 THR CG2 . 18712 1 735 . 1 1 73 73 THR N N 15 114.407 0.000 . . . . . A 73 THR N . 18712 1 736 . 1 1 74 74 ALA H H 1 8.831 0.000 . . . . . A 74 ALA H . 18712 1 737 . 1 1 74 74 ALA HA H 1 4.026 0.000 . . . . . A 74 ALA HA . 18712 1 738 . 1 1 74 74 ALA HB1 H 1 1.463 0.000 . . . . . A 74 ALA HB1 . 18712 1 739 . 1 1 74 74 ALA HB2 H 1 1.463 0.000 . . . . . A 74 ALA HB2 . 18712 1 740 . 1 1 74 74 ALA HB3 H 1 1.463 0.000 . . . . . A 74 ALA HB3 . 18712 1 741 . 1 1 74 74 ALA CA C 13 55.468 0.000 . . . . . A 74 ALA CA . 18712 1 742 . 1 1 74 74 ALA CB C 13 18.203 0.000 . . . . . A 74 ALA CB . 18712 1 743 . 1 1 74 74 ALA N N 15 123.782 0.000 . . . . . A 74 ALA N . 18712 1 744 . 1 1 75 75 GLU H H 1 8.637 0.000 . . . . . A 75 GLU H . 18712 1 745 . 1 1 75 75 GLU HA H 1 4.043 0.000 . . . . . A 75 GLU HA . 18712 1 746 . 1 1 75 75 GLU HB2 H 1 1.986 0.000 . . . . . A 75 GLU HB2 . 18712 1 747 . 1 1 75 75 GLU HB3 H 1 2.061 0.000 . . . . . A 75 GLU HB3 . 18712 1 748 . 1 1 75 75 GLU HG2 H 1 2.369 0.000 . . . . . A 75 GLU HG2 . 18712 1 749 . 1 1 75 75 GLU HG3 H 1 2.283 0.000 . . . . . A 75 GLU HG3 . 18712 1 750 . 1 1 75 75 GLU CA C 13 59.687 0.000 . . . . . A 75 GLU CA . 18712 1 751 . 1 1 75 75 GLU CB C 13 29.453 0.000 . . . . . A 75 GLU CB . 18712 1 752 . 1 1 75 75 GLU CG C 13 37.187 0.000 . . . . . A 75 GLU CG . 18712 1 753 . 1 1 75 75 GLU N N 15 117.578 0.000 . . . . . A 75 GLU N . 18712 1 754 . 1 1 76 76 GLU H H 1 7.847 0.000 . . . . . A 76 GLU H . 18712 1 755 . 1 1 76 76 GLU HA H 1 4.010 0.000 . . . . . A 76 GLU HA . 18712 1 756 . 1 1 76 76 GLU HB2 H 1 2.284 0.000 . . . . . A 76 GLU HB2 . 18712 1 757 . 1 1 76 76 GLU HG2 H 1 2.370 0.000 . . . . . A 76 GLU HG2 . 18712 1 758 . 1 1 76 76 GLU HG3 H 1 2.296 0.000 . . . . . A 76 GLU HG3 . 18712 1 759 . 1 1 76 76 GLU CA C 13 58.281 0.000 . . . . . A 76 GLU CA . 18712 1 760 . 1 1 76 76 GLU CB C 13 30.859 0.000 . . . . . A 76 GLU CB . 18712 1 761 . 1 1 76 76 GLU CG C 13 37.187 0.000 . . . . . A 76 GLU CG . 18712 1 762 . 1 1 76 76 GLU N N 15 120.042 0.000 . . . . . A 76 GLU N . 18712 1 763 . 1 1 77 77 ARG H H 1 8.452 0.000 . . . . . A 77 ARG H . 18712 1 764 . 1 1 77 77 ARG HA H 1 3.975 0.002 . . . . . A 77 ARG HA . 18712 1 765 . 1 1 77 77 ARG HB2 H 1 1.879 0.000 . . . . . A 77 ARG HB2 . 18712 1 766 . 1 1 77 77 ARG HG2 H 1 1.767 0.000 . . . . . A 77 ARG HG2 . 18712 1 767 . 1 1 77 77 ARG HG3 H 1 1.567 0.000 . . . . . A 77 ARG HG3 . 18712 1 768 . 1 1 77 77 ARG HD2 H 1 3.237 0.000 . . . . . A 77 ARG HD2 . 18712 1 769 . 1 1 77 77 ARG HD3 H 1 3.146 0.000 . . . . . A 77 ARG HD3 . 18712 1 770 . 1 1 77 77 ARG CA C 13 58.984 0.000 . . . . . A 77 ARG CA . 18712 1 771 . 1 1 77 77 ARG CB C 13 30.156 0.000 . . . . . A 77 ARG CB . 18712 1 772 . 1 1 77 77 ARG CG C 13 28.399 0.000 . . . . . A 77 ARG CG . 18712 1 773 . 1 1 77 77 ARG CD C 13 43.516 0.000 . . . . . A 77 ARG CD . 18712 1 774 . 1 1 77 77 ARG N N 15 119.687 0.000 . . . . . A 77 ARG N . 18712 1 775 . 1 1 78 78 LEU H H 1 7.685 0.000 . . . . . A 78 LEU H . 18712 1 776 . 1 1 78 78 LEU HA H 1 4.210 0.000 . . . . . A 78 LEU HA . 18712 1 777 . 1 1 78 78 LEU HB2 H 1 1.660 0.000 . . . . . A 78 LEU HB2 . 18712 1 778 . 1 1 78 78 LEU HB3 H 1 1.803 0.000 . . . . . A 78 LEU HB3 . 18712 1 779 . 1 1 78 78 LEU HG H 1 1.725 0.000 . . . . . A 78 LEU HG . 18712 1 780 . 1 1 78 78 LEU HD11 H 1 0.899 0.000 . . . . . A 78 LEU HD11 . 18712 1 781 . 1 1 78 78 LEU HD12 H 1 0.899 0.000 . . . . . A 78 LEU HD12 . 18712 1 782 . 1 1 78 78 LEU HD13 H 1 0.899 0.000 . . . . . A 78 LEU HD13 . 18712 1 783 . 1 1 78 78 LEU HD21 H 1 0.942 0.000 . . . . . A 78 LEU HD21 . 18712 1 784 . 1 1 78 78 LEU HD22 H 1 0.942 0.000 . . . . . A 78 LEU HD22 . 18712 1 785 . 1 1 78 78 LEU HD23 H 1 0.942 0.000 . . . . . A 78 LEU HD23 . 18712 1 786 . 1 1 78 78 LEU CA C 13 56.875 0.000 . . . . . A 78 LEU CA . 18712 1 787 . 1 1 78 78 LEU CB C 13 42.109 0.000 . . . . . A 78 LEU CB . 18712 1 788 . 1 1 78 78 LEU CG C 13 26.641 0.000 . . . . . A 78 LEU CG . 18712 1 789 . 1 1 78 78 LEU CD1 C 13 23.828 0.000 . . . . . A 78 LEU CD1 . 18712 1 790 . 1 1 78 78 LEU CD2 C 13 24.531 0.000 . . . . . A 78 LEU CD2 . 18712 1 791 . 1 1 78 78 LEU N N 15 120.250 0.000 . . . . . A 78 LEU N . 18712 1 792 . 1 1 79 79 LEU H H 1 7.679 0.000 . . . . . A 79 LEU H . 18712 1 793 . 1 1 79 79 LEU HA H 1 4.208 0.000 . . . . . A 79 LEU HA . 18712 1 794 . 1 1 79 79 LEU HB2 H 1 1.785 0.000 . . . . . A 79 LEU HB2 . 18712 1 795 . 1 1 79 79 LEU HB3 H 1 1.584 0.000 . . . . . A 79 LEU HB3 . 18712 1 796 . 1 1 79 79 LEU HD11 H 1 0.937 0.000 . . . . . A 79 LEU HD11 . 18712 1 797 . 1 1 79 79 LEU HD12 H 1 0.937 0.000 . . . . . A 79 LEU HD12 . 18712 1 798 . 1 1 79 79 LEU HD13 H 1 0.937 0.000 . . . . . A 79 LEU HD13 . 18712 1 799 . 1 1 79 79 LEU HD21 H 1 0.900 0.000 . . . . . A 79 LEU HD21 . 18712 1 800 . 1 1 79 79 LEU HD22 H 1 0.900 0.000 . . . . . A 79 LEU HD22 . 18712 1 801 . 1 1 79 79 LEU HD23 H 1 0.900 0.000 . . . . . A 79 LEU HD23 . 18712 1 802 . 1 1 79 79 LEU CA C 13 56.875 0.000 . . . . . A 79 LEU CA . 18712 1 803 . 1 1 79 79 LEU CB C 13 42.109 0.000 . . . . . A 79 LEU CB . 18712 1 804 . 1 1 79 79 LEU CD1 C 13 25.235 0.000 . . . . . A 79 LEU CD1 . 18712 1 805 . 1 1 79 79 LEU CD2 C 13 23.828 0.000 . . . . . A 79 LEU CD2 . 18712 1 806 . 1 1 79 79 LEU N N 15 119.265 0.000 . . . . . A 79 LEU N . 18712 1 807 . 1 1 80 80 HIS H H 1 8.127 0.000 . . . . . A 80 HIS H . 18712 1 808 . 1 1 80 80 HIS HA H 1 4.422 0.000 . . . . . A 80 HIS HA . 18712 1 809 . 1 1 80 80 HIS HB2 H 1 3.216 0.000 . . . . . A 80 HIS HB2 . 18712 1 810 . 1 1 80 80 HIS HB3 H 1 3.147 0.000 . . . . . A 80 HIS HB3 . 18712 1 811 . 1 1 80 80 HIS HD2 H 1 7.007 0.000 . . . . . A 80 HIS HD2 . 18712 1 812 . 1 1 80 80 HIS CA C 13 57.578 0.000 . . . . . A 80 HIS CA . 18712 1 813 . 1 1 80 80 HIS CB C 13 30.156 0.000 . . . . . A 80 HIS CB . 18712 1 814 . 1 1 80 80 HIS N N 15 118.348 0.000 . . . . . A 80 HIS N . 18712 1 815 . 1 1 81 81 ALA H H 1 7.908 0.000 . . . . . A 81 ALA H . 18712 1 816 . 1 1 81 81 ALA HA H 1 4.204 0.000 . . . . . A 81 ALA HA . 18712 1 817 . 1 1 81 81 ALA HB1 H 1 1.450 0.000 . . . . . A 81 ALA HB1 . 18712 1 818 . 1 1 81 81 ALA HB2 H 1 1.450 0.000 . . . . . A 81 ALA HB2 . 18712 1 819 . 1 1 81 81 ALA HB3 H 1 1.450 0.000 . . . . . A 81 ALA HB3 . 18712 1 820 . 1 1 81 81 ALA CA C 13 54.062 0.000 . . . . . A 81 ALA CA . 18712 1 821 . 1 1 81 81 ALA CB C 13 18.906 0.000 . . . . . A 81 ALA CB . 18712 1 822 . 1 1 81 81 ALA N N 15 122.359 0.000 . . . . . A 81 ALA N . 18712 1 823 . 1 1 82 82 ILE H H 1 7.780 0.000 . . . . . A 82 ILE H . 18712 1 824 . 1 1 82 82 ILE HA H 1 3.972 0.000 . . . . . A 82 ILE HA . 18712 1 825 . 1 1 82 82 ILE HB H 1 1.668 0.000 . . . . . A 82 ILE HB . 18712 1 826 . 1 1 82 82 ILE HG12 H 1 1.429 0.000 . . . . . A 82 ILE HG12 . 18712 1 827 . 1 1 82 82 ILE HG13 H 1 1.069 0.000 . . . . . A 82 ILE HG13 . 18712 1 828 . 1 1 82 82 ILE HG21 H 1 0.526 0.000 . . . . . A 82 ILE HG21 . 18712 1 829 . 1 1 82 82 ILE HG22 H 1 0.526 0.000 . . . . . A 82 ILE HG22 . 18712 1 830 . 1 1 82 82 ILE HG23 H 1 0.526 0.000 . . . . . A 82 ILE HG23 . 18712 1 831 . 1 1 82 82 ILE HD11 H 1 0.775 0.000 . . . . . A 82 ILE HD11 . 18712 1 832 . 1 1 82 82 ILE HD12 H 1 0.775 0.000 . . . . . A 82 ILE HD12 . 18712 1 833 . 1 1 82 82 ILE HD13 H 1 0.775 0.000 . . . . . A 82 ILE HD13 . 18712 1 834 . 1 1 82 82 ILE CA C 13 62.500 0.000 . . . . . A 82 ILE CA . 18712 1 835 . 1 1 82 82 ILE CB C 13 38.594 0.000 . . . . . A 82 ILE CB . 18712 1 836 . 1 1 82 82 ILE CG1 C 13 27.344 0.000 . . . . . A 82 ILE CG1 . 18712 1 837 . 1 1 82 82 ILE CG2 C 13 16.797 0.000 . . . . . A 82 ILE CG2 . 18712 1 838 . 1 1 82 82 ILE CD1 C 13 12.578 0.000 . . . . . A 82 ILE CD1 . 18712 1 839 . 1 1 82 82 ILE N N 15 117.705 0.000 . . . . . A 82 ILE N . 18712 1 840 . 1 1 83 83 PHE H H 1 8.227 0.000 . . . . . A 83 PHE H . 18712 1 841 . 1 1 83 83 PHE HA H 1 4.633 0.000 . . . . . A 83 PHE HA . 18712 1 842 . 1 1 83 83 PHE HB2 H 1 2.965 0.000 . . . . . A 83 PHE HB2 . 18712 1 843 . 1 1 83 83 PHE HB3 H 1 3.210 0.000 . . . . . A 83 PHE HB3 . 18712 1 844 . 1 1 83 83 PHE HD1 H 1 7.301 0.000 . . . . . A 83 PHE HD1 . 18712 1 845 . 1 1 83 83 PHE HD2 H 1 7.301 0.000 . . . . . A 83 PHE HD2 . 18712 1 846 . 1 1 83 83 PHE HE1 H 1 7.352 0.000 . . . . . A 83 PHE HE1 . 18712 1 847 . 1 1 83 83 PHE HE2 H 1 7.352 0.000 . . . . . A 83 PHE HE2 . 18712 1 848 . 1 1 83 83 PHE CA C 13 58.281 0.000 . . . . . A 83 PHE CA . 18712 1 849 . 1 1 83 83 PHE CB C 13 40.000 0.000 . . . . . A 83 PHE CB . 18712 1 850 . 1 1 83 83 PHE CD1 C 13 131.681 0.000 . . . . . A 83 PHE CD1 . 18712 1 851 . 1 1 83 83 PHE CE1 C 13 131.640 0.000 . . . . . A 83 PHE CE1 . 18712 1 852 . 1 1 83 83 PHE N N 15 120.528 0.000 . . . . . A 83 PHE N . 18712 1 853 . 1 1 84 84 GLY H H 1 8.157 0.000 . . . . . A 84 GLY H . 18712 1 854 . 1 1 84 84 GLY HA2 H 1 3.977 0.000 . . . . . A 84 GLY HA2 . 18712 1 855 . 1 1 84 84 GLY HA3 H 1 3.764 0.000 . . . . . A 84 GLY HA3 . 18712 1 856 . 1 1 84 84 GLY CA C 13 45.625 0.000 . . . . . A 84 GLY CA . 18712 1 857 . 1 1 84 84 GLY N N 15 110.328 0.000 . . . . . A 84 GLY N . 18712 1 858 . 1 1 85 85 GLU H H 1 8.374 0.000 . . . . . A 85 GLU H . 18712 1 859 . 1 1 85 85 GLU HA H 1 4.234 0.000 . . . . . A 85 GLU HA . 18712 1 860 . 1 1 85 85 GLU HB2 H 1 2.058 0.000 . . . . . A 85 GLU HB2 . 18712 1 861 . 1 1 85 85 GLU HB3 H 1 1.946 0.000 . . . . . A 85 GLU HB3 . 18712 1 862 . 1 1 85 85 GLU HG2 H 1 2.241 0.000 . . . . . A 85 GLU HG2 . 18712 1 863 . 1 1 85 85 GLU CA C 13 57.226 0.000 . . . . . A 85 GLU CA . 18712 1 864 . 1 1 85 85 GLU CB C 13 30.156 0.000 . . . . . A 85 GLU CB . 18712 1 865 . 1 1 85 85 GLU CG C 13 36.133 0.000 . . . . . A 85 GLU CG . 18712 1 866 . 1 1 85 85 GLU N N 15 120.975 0.000 . . . . . A 85 GLU N . 18712 1 867 . 1 1 86 86 LYS H H 1 8.230 0.000 . . . . . A 86 LYS H . 18712 1 868 . 1 1 86 86 LYS HA H 1 4.291 0.004 . . . . . A 86 LYS HA . 18712 1 869 . 1 1 86 86 LYS HB2 H 1 1.832 0.000 . . . . . A 86 LYS HB2 . 18712 1 870 . 1 1 86 86 LYS HB3 H 1 1.760 0.000 . . . . . A 86 LYS HB3 . 18712 1 871 . 1 1 86 86 LYS HG2 H 1 1.459 0.000 . . . . . A 86 LYS HG2 . 18712 1 872 . 1 1 86 86 LYS HG3 H 1 1.429 0.000 . . . . . A 86 LYS HG3 . 18712 1 873 . 1 1 86 86 LYS HD2 H 1 2.032 0.000 . . . . . A 86 LYS HD2 . 18712 1 874 . 1 1 86 86 LYS HE2 H 1 2.986 0.000 . . . . . A 86 LYS HE2 . 18712 1 875 . 1 1 86 86 LYS HE3 H 1 2.886 0.000 . . . . . A 86 LYS HE3 . 18712 1 876 . 1 1 86 86 LYS CA C 13 56.172 0.000 . . . . . A 86 LYS CA . 18712 1 877 . 1 1 86 86 LYS CB C 13 32.969 0.000 . . . . . A 86 LYS CB . 18712 1 878 . 1 1 86 86 LYS CG C 13 25.235 0.000 . . . . . A 86 LYS CG . 18712 1 879 . 1 1 86 86 LYS CE C 13 42.109 0.000 . . . . . A 86 LYS CE . 18712 1 880 . 1 1 86 86 LYS N N 15 121.202 0.000 . . . . . A 86 LYS N . 18712 1 881 . 1 1 87 87 ALA H H 1 8.179 0.000 . . . . . A 87 ALA H . 18712 1 882 . 1 1 87 87 ALA HA H 1 4.236 0.000 . . . . . A 87 ALA HA . 18712 1 883 . 1 1 87 87 ALA HB1 H 1 1.359 0.000 . . . . . A 87 ALA HB1 . 18712 1 884 . 1 1 87 87 ALA HB2 H 1 1.359 0.000 . . . . . A 87 ALA HB2 . 18712 1 885 . 1 1 87 87 ALA HB3 H 1 1.359 0.000 . . . . . A 87 ALA HB3 . 18712 1 886 . 1 1 87 87 ALA CA C 13 52.656 0.000 . . . . . A 87 ALA CA . 18712 1 887 . 1 1 87 87 ALA CB C 13 19.610 0.000 . . . . . A 87 ALA CB . 18712 1 888 . 1 1 87 87 ALA N N 15 124.596 0.000 . . . . . A 87 ALA N . 18712 1 889 . 1 1 88 88 ARG H H 1 8.274 0.000 . . . . . A 88 ARG H . 18712 1 890 . 1 1 88 88 ARG HA H 1 4.344 0.000 . . . . . A 88 ARG HA . 18712 1 891 . 1 1 88 88 ARG HB2 H 1 1.841 0.000 . . . . . A 88 ARG HB2 . 18712 1 892 . 1 1 88 88 ARG HB3 H 1 1.730 0.000 . . . . . A 88 ARG HB3 . 18712 1 893 . 1 1 88 88 ARG HG2 H 1 1.543 0.000 . . . . . A 88 ARG HG2 . 18712 1 894 . 1 1 88 88 ARG HD2 H 1 3.220 0.000 . . . . . A 88 ARG HD2 . 18712 1 895 . 1 1 88 88 ARG HD3 H 1 3.154 0.000 . . . . . A 88 ARG HD3 . 18712 1 896 . 1 1 88 88 ARG CA C 13 56.172 0.000 . . . . . A 88 ARG CA . 18712 1 897 . 1 1 88 88 ARG CB C 13 30.859 0.000 . . . . . A 88 ARG CB . 18712 1 898 . 1 1 88 88 ARG CG C 13 27.344 0.000 . . . . . A 88 ARG CG . 18712 1 899 . 1 1 88 88 ARG CD C 13 43.516 0.000 . . . . . A 88 ARG CD . 18712 1 900 . 1 1 88 88 ARG N N 15 120.688 0.000 . . . . . A 88 ARG N . 18712 1 901 . 1 1 89 89 GLU H H 1 8.632 0.000 . . . . . A 89 GLU H . 18712 1 902 . 1 1 89 89 GLU HA H 1 4.575 0.000 . . . . . A 89 GLU HA . 18712 1 903 . 1 1 89 89 GLU HB2 H 1 1.952 0.000 . . . . . A 89 GLU HB2 . 18712 1 904 . 1 1 89 89 GLU HG2 H 1 2.253 0.000 . . . . . A 89 GLU HG2 . 18712 1 905 . 1 1 89 89 GLU HG3 H 1 2.206 0.000 . . . . . A 89 GLU HG3 . 18712 1 906 . 1 1 89 89 GLU CA C 13 55.468 0.000 . . . . . A 89 GLU CA . 18712 1 907 . 1 1 89 89 GLU CB C 13 30.156 0.000 . . . . . A 89 GLU CB . 18712 1 908 . 1 1 89 89 GLU CG C 13 35.781 0.000 . . . . . A 89 GLU CG . 18712 1 909 . 1 1 89 89 GLU N N 15 124.469 0.000 . . . . . A 89 GLU N . 18712 1 910 . 1 1 90 90 VAL H H 1 8.246 0.000 . . . . . A 90 VAL H . 18712 1 911 . 1 1 90 90 VAL HA H 1 5.047 0.000 . . . . . A 90 VAL HA . 18712 1 912 . 1 1 90 90 VAL HB H 1 1.965 0.000 . . . . . A 90 VAL HB . 18712 1 913 . 1 1 90 90 VAL HG11 H 1 0.728 0.000 . . . . . A 90 VAL HG11 . 18712 1 914 . 1 1 90 90 VAL HG12 H 1 0.728 0.000 . . . . . A 90 VAL HG12 . 18712 1 915 . 1 1 90 90 VAL HG13 H 1 0.728 0.000 . . . . . A 90 VAL HG13 . 18712 1 916 . 1 1 90 90 VAL HG21 H 1 0.694 0.000 . . . . . A 90 VAL HG21 . 18712 1 917 . 1 1 90 90 VAL HG22 H 1 0.694 0.000 . . . . . A 90 VAL HG22 . 18712 1 918 . 1 1 90 90 VAL HG23 H 1 0.694 0.000 . . . . . A 90 VAL HG23 . 18712 1 919 . 1 1 90 90 VAL CA C 13 58.984 0.000 . . . . . A 90 VAL CA . 18712 1 920 . 1 1 90 90 VAL CB C 13 36.484 0.000 . . . . . A 90 VAL CB . 18712 1 921 . 1 1 90 90 VAL CG1 C 13 21.016 0.000 . . . . . A 90 VAL CG1 . 18712 1 922 . 1 1 90 90 VAL CG2 C 13 17.500 0.000 . . . . . A 90 VAL CG2 . 18712 1 923 . 1 1 90 90 VAL N N 15 114.440 0.000 . . . . . A 90 VAL N . 18712 1 924 . 1 1 91 91 ARG H H 1 9.062 0.000 . . . . . A 91 ARG H . 18712 1 925 . 1 1 91 91 ARG HA H 1 4.771 0.000 . . . . . A 91 ARG HA . 18712 1 926 . 1 1 91 91 ARG HB2 H 1 1.745 0.000 . . . . . A 91 ARG HB2 . 18712 1 927 . 1 1 91 91 ARG HG2 H 1 1.564 0.000 . . . . . A 91 ARG HG2 . 18712 1 928 . 1 1 91 91 ARG HD2 H 1 3.189 0.000 . . . . . A 91 ARG HD2 . 18712 1 929 . 1 1 91 91 ARG CB C 13 33.672 0.000 . . . . . A 91 ARG CB . 18712 1 930 . 1 1 91 91 ARG N N 15 118.602 0.000 . . . . . A 91 ARG N . 18712 1 931 . 1 1 92 92 ASP H H 1 8.770 0.000 . . . . . A 92 ASP H . 18712 1 932 . 1 1 92 92 ASP HA H 1 4.754 0.000 . . . . . A 92 ASP HA . 18712 1 933 . 1 1 92 92 ASP HB2 H 1 3.014 0.000 . . . . . A 92 ASP HB2 . 18712 1 934 . 1 1 92 92 ASP HB3 H 1 2.599 0.000 . . . . . A 92 ASP HB3 . 18712 1 935 . 1 1 92 92 ASP CB C 13 41.406 0.000 . . . . . A 92 ASP CB . 18712 1 936 . 1 1 92 92 ASP N N 15 121.656 0.000 . . . . . A 92 ASP N . 18712 1 937 . 1 1 93 93 THR H H 1 9.253 0.000 . . . . . A 93 THR H . 18712 1 938 . 1 1 93 93 THR HA H 1 4.586 0.000 . . . . . A 93 THR HA . 18712 1 939 . 1 1 93 93 THR HB H 1 4.476 0.000 . . . . . A 93 THR HB . 18712 1 940 . 1 1 93 93 THR HG21 H 1 1.138 0.000 . . . . . A 93 THR HG21 . 18712 1 941 . 1 1 93 93 THR HG22 H 1 1.138 0.000 . . . . . A 93 THR HG22 . 18712 1 942 . 1 1 93 93 THR HG23 H 1 1.138 0.000 . . . . . A 93 THR HG23 . 18712 1 943 . 1 1 93 93 THR CA C 13 60.390 0.000 . . . . . A 93 THR CA . 18712 1 944 . 1 1 93 93 THR CB C 13 66.718 0.000 . . . . . A 93 THR CB . 18712 1 945 . 1 1 93 93 THR CG2 C 13 21.719 0.000 . . . . . A 93 THR CG2 . 18712 1 946 . 1 1 93 93 THR N N 15 124.654 0.000 . . . . . A 93 THR N . 18712 1 947 . 1 1 94 94 SER H H 1 8.564 0.000 . . . . . A 94 SER H . 18712 1 948 . 1 1 94 94 SER HA H 1 4.455 0.000 . . . . . A 94 SER HA . 18712 1 949 . 1 1 94 94 SER HB2 H 1 4.149 0.000 . . . . . A 94 SER HB2 . 18712 1 950 . 1 1 94 94 SER HB3 H 1 3.715 0.000 . . . . . A 94 SER HB3 . 18712 1 951 . 1 1 94 94 SER HG H 1 5.726 0.000 . . . . . A 94 SER HG . 18712 1 952 . 1 1 94 94 SER CA C 13 60.390 0.000 . . . . . A 94 SER CA . 18712 1 953 . 1 1 94 94 SER CB C 13 63.906 0.000 . . . . . A 94 SER CB . 18712 1 954 . 1 1 94 94 SER N N 15 117.437 0.000 . . . . . A 94 SER N . 18712 1 955 . 1 1 95 95 LEU H H 1 8.964 0.000 . . . . . A 95 LEU H . 18712 1 956 . 1 1 95 95 LEU HA H 1 4.684 0.000 . . . . . A 95 LEU HA . 18712 1 957 . 1 1 95 95 LEU HB2 H 1 1.780 0.000 . . . . . A 95 LEU HB2 . 18712 1 958 . 1 1 95 95 LEU HB3 H 1 1.780 0.000 . . . . . A 95 LEU HB3 . 18712 1 959 . 1 1 95 95 LEU HD11 H 1 1.059 0.000 . . . . . A 95 LEU HD11 . 18712 1 960 . 1 1 95 95 LEU HD12 H 1 1.059 0.000 . . . . . A 95 LEU HD12 . 18712 1 961 . 1 1 95 95 LEU HD13 H 1 1.059 0.000 . . . . . A 95 LEU HD13 . 18712 1 962 . 1 1 95 95 LEU HD21 H 1 1.066 0.000 . . . . . A 95 LEU HD21 . 18712 1 963 . 1 1 95 95 LEU HD22 H 1 1.066 0.000 . . . . . A 95 LEU HD22 . 18712 1 964 . 1 1 95 95 LEU HD23 H 1 1.066 0.000 . . . . . A 95 LEU HD23 . 18712 1 965 . 1 1 95 95 LEU CB C 13 43.516 0.000 . . . . . A 95 LEU CB . 18712 1 966 . 1 1 95 95 LEU CD1 C 13 22.422 0.000 . . . . . A 95 LEU CD1 . 18712 1 967 . 1 1 95 95 LEU CD2 C 13 21.719 0.000 . . . . . A 95 LEU CD2 . 18712 1 968 . 1 1 95 95 LEU N N 15 125.594 0.000 . . . . . A 95 LEU N . 18712 1 969 . 1 1 96 96 ARG H H 1 8.709 0.000 . . . . . A 96 ARG H . 18712 1 970 . 1 1 96 96 ARG HA H 1 5.061 0.000 . . . . . A 96 ARG HA . 18712 1 971 . 1 1 96 96 ARG HB2 H 1 1.362 0.000 . . . . . A 96 ARG HB2 . 18712 1 972 . 1 1 96 96 ARG HB3 H 1 1.263 0.000 . . . . . A 96 ARG HB3 . 18712 1 973 . 1 1 96 96 ARG HD2 H 1 3.108 0.000 . . . . . A 96 ARG HD2 . 18712 1 974 . 1 1 96 96 ARG CA C 13 54.062 0.000 . . . . . A 96 ARG CA . 18712 1 975 . 1 1 96 96 ARG CB C 13 34.375 0.000 . . . . . A 96 ARG CB . 18712 1 976 . 1 1 96 96 ARG CD C 13 42.812 0.000 . . . . . A 96 ARG CD . 18712 1 977 . 1 1 96 96 ARG N N 15 128.669 0.000 . . . . . A 96 ARG N . 18712 1 978 . 1 1 97 97 VAL H H 1 8.745 0.000 . . . . . A 97 VAL H . 18712 1 979 . 1 1 97 97 VAL HA H 1 3.386 0.000 . . . . . A 97 VAL HA . 18712 1 980 . 1 1 97 97 VAL HB H 1 2.056 0.000 . . . . . A 97 VAL HB . 18712 1 981 . 1 1 97 97 VAL HG11 H 1 0.738 0.000 . . . . . A 97 VAL HG11 . 18712 1 982 . 1 1 97 97 VAL HG12 H 1 0.738 0.000 . . . . . A 97 VAL HG12 . 18712 1 983 . 1 1 97 97 VAL HG13 H 1 0.738 0.000 . . . . . A 97 VAL HG13 . 18712 1 984 . 1 1 97 97 VAL HG21 H 1 0.314 0.000 . . . . . A 97 VAL HG21 . 18712 1 985 . 1 1 97 97 VAL HG22 H 1 0.314 0.000 . . . . . A 97 VAL HG22 . 18712 1 986 . 1 1 97 97 VAL HG23 H 1 0.314 0.000 . . . . . A 97 VAL HG23 . 18712 1 987 . 1 1 97 97 VAL CA C 13 61.093 0.000 . . . . . A 97 VAL CA . 18712 1 988 . 1 1 97 97 VAL CB C 13 32.266 0.000 . . . . . A 97 VAL CB . 18712 1 989 . 1 1 97 97 VAL CG1 C 13 21.016 0.000 . . . . . A 97 VAL CG1 . 18712 1 990 . 1 1 97 97 VAL CG2 C 13 24.180 0.000 . . . . . A 97 VAL CG2 . 18712 1 991 . 1 1 97 97 VAL N N 15 121.375 0.000 . . . . . A 97 VAL N . 18712 1 992 . 1 1 98 98 PRO HA H 1 4.543 0.000 . . . . . A 98 PRO HA . 18712 1 993 . 1 1 98 98 PRO HB2 H 1 2.040 0.000 . . . . . A 98 PRO HB2 . 18712 1 994 . 1 1 98 98 PRO HB3 H 1 2.328 0.000 . . . . . A 98 PRO HB3 . 18712 1 995 . 1 1 98 98 PRO HG2 H 1 2.174 0.000 . . . . . A 98 PRO HG2 . 18712 1 996 . 1 1 98 98 PRO HG3 H 1 1.857 0.000 . . . . . A 98 PRO HG3 . 18712 1 997 . 1 1 98 98 PRO HD2 H 1 3.568 0.000 . . . . . A 98 PRO HD2 . 18712 1 998 . 1 1 98 98 PRO HD3 H 1 3.176 0.000 . . . . . A 98 PRO HD3 . 18712 1 999 . 1 1 98 98 PRO CA C 13 62.500 0.000 . . . . . A 98 PRO CA . 18712 1 1000 . 1 1 98 98 PRO CB C 13 32.969 0.000 . . . . . A 98 PRO CB . 18712 1 1001 . 1 1 98 98 PRO CG C 13 27.344 0.000 . . . . . A 98 PRO CG . 18712 1 1002 . 1 1 98 98 PRO CD C 13 50.547 0.000 . . . . . A 98 PRO CD . 18712 1 1003 . 1 1 99 99 HIS H H 1 8.368 0.000 . . . . . A 99 HIS H . 18712 1 1004 . 1 1 99 99 HIS HA H 1 4.272 0.000 . . . . . A 99 HIS HA . 18712 1 1005 . 1 1 99 99 HIS HB2 H 1 3.104 0.000 . . . . . A 99 HIS HB2 . 18712 1 1006 . 1 1 99 99 HIS HB3 H 1 3.020 0.000 . . . . . A 99 HIS HB3 . 18712 1 1007 . 1 1 99 99 HIS CA C 13 58.281 0.000 . . . . . A 99 HIS CA . 18712 1 1008 . 1 1 99 99 HIS CB C 13 30.156 0.000 . . . . . A 99 HIS CB . 18712 1 1009 . 1 1 99 99 HIS N N 15 118.140 0.000 . . . . . A 99 HIS N . 18712 1 1010 . 1 1 100 100 GLY H H 1 9.411 0.000 . . . . . A 100 GLY H . 18712 1 1011 . 1 1 100 100 GLY HA2 H 1 4.055 0.000 . . . . . A 100 GLY HA2 . 18712 1 1012 . 1 1 100 100 GLY HA3 H 1 3.722 0.000 . . . . . A 100 GLY HA3 . 18712 1 1013 . 1 1 100 100 GLY CA C 13 45.625 0.000 . . . . . A 100 GLY CA . 18712 1 1014 . 1 1 100 100 GLY N N 15 116.101 0.000 . . . . . A 100 GLY N . 18712 1 1015 . 1 1 101 101 GLY H H 1 8.399 0.000 . . . . . A 101 GLY H . 18712 1 1016 . 1 1 101 101 GLY HA2 H 1 3.180 0.000 . . . . . A 101 GLY HA2 . 18712 1 1017 . 1 1 101 101 GLY HA3 H 1 3.155 0.000 . . . . . A 101 GLY HA3 . 18712 1 1018 . 1 1 101 101 GLY CA C 13 45.625 0.000 . . . . . A 101 GLY CA . 18712 1 1019 . 1 1 101 101 GLY N N 15 108.798 0.000 . . . . . A 101 GLY N . 18712 1 1020 . 1 1 102 102 GLY H H 1 8.310 0.000 . . . . . A 102 GLY H . 18712 1 1021 . 1 1 102 102 GLY HA2 H 1 3.836 0.000 . . . . . A 102 GLY HA2 . 18712 1 1022 . 1 1 102 102 GLY HA3 H 1 3.597 0.000 . . . . . A 102 GLY HA3 . 18712 1 1023 . 1 1 102 102 GLY CA C 13 45.625 0.000 . . . . . A 102 GLY CA . 18712 1 1024 . 1 1 102 102 GLY N N 15 105.967 0.000 . . . . . A 102 GLY N . 18712 1 1025 . 1 1 103 103 GLY H H 1 8.075 0.000 . . . . . A 103 GLY H . 18712 1 1026 . 1 1 103 103 GLY HA2 H 1 4.476 0.000 . . . . . A 103 GLY HA2 . 18712 1 1027 . 1 1 103 103 GLY HA3 H 1 3.990 0.000 . . . . . A 103 GLY HA3 . 18712 1 1028 . 1 1 103 103 GLY CA C 13 46.328 0.000 . . . . . A 103 GLY CA . 18712 1 1029 . 1 1 103 103 GLY N N 15 107.574 0.000 . . . . . A 103 GLY N . 18712 1 1030 . 1 1 104 104 ILE H H 1 8.269 0.000 . . . . . A 104 ILE H . 18712 1 1031 . 1 1 104 104 ILE HA H 1 5.075 0.000 . . . . . A 104 ILE HA . 18712 1 1032 . 1 1 104 104 ILE HB H 1 1.719 0.000 . . . . . A 104 ILE HB . 18712 1 1033 . 1 1 104 104 ILE HG12 H 1 1.549 0.000 . . . . . A 104 ILE HG12 . 18712 1 1034 . 1 1 104 104 ILE HG13 H 1 1.210 0.000 . . . . . A 104 ILE HG13 . 18712 1 1035 . 1 1 104 104 ILE HG21 H 1 0.797 0.000 . . . . . A 104 ILE HG21 . 18712 1 1036 . 1 1 104 104 ILE HG22 H 1 0.797 0.000 . . . . . A 104 ILE HG22 . 18712 1 1037 . 1 1 104 104 ILE HG23 H 1 0.797 0.000 . . . . . A 104 ILE HG23 . 18712 1 1038 . 1 1 104 104 ILE HD11 H 1 0.843 0.000 . . . . . A 104 ILE HD11 . 18712 1 1039 . 1 1 104 104 ILE HD12 H 1 0.843 0.000 . . . . . A 104 ILE HD12 . 18712 1 1040 . 1 1 104 104 ILE HD13 H 1 0.843 0.000 . . . . . A 104 ILE HD13 . 18712 1 1041 . 1 1 104 104 ILE CA C 13 58.281 0.000 . . . . . A 104 ILE CA . 18712 1 1042 . 1 1 104 104 ILE CB C 13 40.703 0.000 . . . . . A 104 ILE CB . 18712 1 1043 . 1 1 104 104 ILE CG1 C 13 28.047 0.000 . . . . . A 104 ILE CG1 . 18712 1 1044 . 1 1 104 104 ILE CG2 C 13 16.797 0.000 . . . . . A 104 ILE CG2 . 18712 1 1045 . 1 1 104 104 ILE CD1 C 13 12.578 0.000 . . . . . A 104 ILE CD1 . 18712 1 1046 . 1 1 104 104 ILE N N 15 122.219 0.000 . . . . . A 104 ILE N . 18712 1 1047 . 1 1 105 105 ILE H H 1 8.965 0.000 . . . . . A 105 ILE H . 18712 1 1048 . 1 1 105 105 ILE HA H 1 4.312 0.000 . . . . . A 105 ILE HA . 18712 1 1049 . 1 1 105 105 ILE HB H 1 2.544 0.000 . . . . . A 105 ILE HB . 18712 1 1050 . 1 1 105 105 ILE HG12 H 1 1.962 0.000 . . . . . A 105 ILE HG12 . 18712 1 1051 . 1 1 105 105 ILE HG13 H 1 1.962 0.000 . . . . . A 105 ILE HG13 . 18712 1 1052 . 1 1 105 105 ILE HD11 H 1 0.586 0.000 . . . . . A 105 ILE HD11 . 18712 1 1053 . 1 1 105 105 ILE HD12 H 1 0.586 0.000 . . . . . A 105 ILE HD12 . 18712 1 1054 . 1 1 105 105 ILE HD13 H 1 0.586 0.000 . . . . . A 105 ILE HD13 . 18712 1 1055 . 1 1 105 105 ILE CA C 13 60.390 0.000 . . . . . A 105 ILE CA . 18712 1 1056 . 1 1 105 105 ILE CB C 13 34.375 0.000 . . . . . A 105 ILE CB . 18712 1 1057 . 1 1 105 105 ILE CG1 C 13 25.235 0.000 . . . . . A 105 ILE CG1 . 18712 1 1058 . 1 1 105 105 ILE CD1 C 13 10.469 0.000 . . . . . A 105 ILE CD1 . 18712 1 1059 . 1 1 105 105 ILE N N 15 124.237 0.000 . . . . . A 105 ILE N . 18712 1 1060 . 1 1 106 106 HIS H H 1 9.604 0.000 . . . . . A 106 HIS H . 18712 1 1061 . 1 1 106 106 HIS HA H 1 4.506 0.000 . . . . . A 106 HIS HA . 18712 1 1062 . 1 1 106 106 HIS HB2 H 1 3.113 0.000 . . . . . A 106 HIS HB2 . 18712 1 1063 . 1 1 106 106 HIS HB3 H 1 2.754 0.000 . . . . . A 106 HIS HB3 . 18712 1 1064 . 1 1 106 106 HIS CA C 13 57.578 0.000 . . . . . A 106 HIS CA . 18712 1 1065 . 1 1 106 106 HIS CB C 13 33.672 0.000 . . . . . A 106 HIS CB . 18712 1 1066 . 1 1 106 106 HIS N N 15 135.053 0.000 . . . . . A 106 HIS N . 18712 1 1067 . 1 1 107 107 ASP H H 1 7.930 0.000 . . . . . A 107 ASP H . 18712 1 1068 . 1 1 107 107 ASP HA H 1 4.707 0.000 . . . . . A 107 ASP HA . 18712 1 1069 . 1 1 107 107 ASP HB2 H 1 2.359 0.000 . . . . . A 107 ASP HB2 . 18712 1 1070 . 1 1 107 107 ASP HB3 H 1 2.093 0.000 . . . . . A 107 ASP HB3 . 18712 1 1071 . 1 1 107 107 ASP CB C 13 42.812 0.000 . . . . . A 107 ASP CB . 18712 1 1072 . 1 1 107 107 ASP N N 15 112.528 0.000 . . . . . A 107 ASP N . 18712 1 1073 . 1 1 108 108 VAL H H 1 8.325 0.000 . . . . . A 108 VAL H . 18712 1 1074 . 1 1 108 108 VAL HA H 1 5.028 0.000 . . . . . A 108 VAL HA . 18712 1 1075 . 1 1 108 108 VAL HB H 1 1.820 0.000 . . . . . A 108 VAL HB . 18712 1 1076 . 1 1 108 108 VAL HG11 H 1 0.933 0.000 . . . . . A 108 VAL HG11 . 18712 1 1077 . 1 1 108 108 VAL HG12 H 1 0.933 0.000 . . . . . A 108 VAL HG12 . 18712 1 1078 . 1 1 108 108 VAL HG13 H 1 0.933 0.000 . . . . . A 108 VAL HG13 . 18712 1 1079 . 1 1 108 108 VAL HG21 H 1 0.835 0.000 . . . . . A 108 VAL HG21 . 18712 1 1080 . 1 1 108 108 VAL HG22 H 1 0.835 0.000 . . . . . A 108 VAL HG22 . 18712 1 1081 . 1 1 108 108 VAL HG23 H 1 0.835 0.000 . . . . . A 108 VAL HG23 . 18712 1 1082 . 1 1 108 108 VAL CA C 13 61.796 0.000 . . . . . A 108 VAL CA . 18712 1 1083 . 1 1 108 108 VAL CB C 13 36.484 0.000 . . . . . A 108 VAL CB . 18712 1 1084 . 1 1 108 108 VAL CG1 C 13 22.422 0.000 . . . . . A 108 VAL CG1 . 18712 1 1085 . 1 1 108 108 VAL CG2 C 13 21.719 0.000 . . . . . A 108 VAL CG2 . 18712 1 1086 . 1 1 108 108 VAL N N 15 121.656 0.000 . . . . . A 108 VAL N . 18712 1 1087 . 1 1 109 109 LYS H H 1 9.417 0.000 . . . . . A 109 LYS H . 18712 1 1088 . 1 1 109 109 LYS HA H 1 4.676 0.000 . . . . . A 109 LYS HA . 18712 1 1089 . 1 1 109 109 LYS HB2 H 1 1.611 0.000 . . . . . A 109 LYS HB2 . 18712 1 1090 . 1 1 109 109 LYS HB3 H 1 1.773 0.000 . . . . . A 109 LYS HB3 . 18712 1 1091 . 1 1 109 109 LYS HG2 H 1 1.378 0.000 . . . . . A 109 LYS HG2 . 18712 1 1092 . 1 1 109 109 LYS HD2 H 1 1.599 0.000 . . . . . A 109 LYS HD2 . 18712 1 1093 . 1 1 109 109 LYS CB C 13 37.187 0.000 . . . . . A 109 LYS CB . 18712 1 1094 . 1 1 109 109 LYS CG C 13 25.235 0.000 . . . . . A 109 LYS CG . 18712 1 1095 . 1 1 109 109 LYS N N 15 126.798 0.000 . . . . . A 109 LYS N . 18712 1 1096 . 1 1 110 110 VAL H H 1 8.206 0.000 . . . . . A 110 VAL H . 18712 1 1097 . 1 1 110 110 VAL HA H 1 4.676 0.000 . . . . . A 110 VAL HA . 18712 1 1098 . 1 1 110 110 VAL HB H 1 1.867 0.000 . . . . . A 110 VAL HB . 18712 1 1099 . 1 1 110 110 VAL HG11 H 1 0.882 0.000 . . . . . A 110 VAL HG11 . 18712 1 1100 . 1 1 110 110 VAL HG12 H 1 0.882 0.000 . . . . . A 110 VAL HG12 . 18712 1 1101 . 1 1 110 110 VAL HG13 H 1 0.882 0.000 . . . . . A 110 VAL HG13 . 18712 1 1102 . 1 1 110 110 VAL HG21 H 1 0.909 0.000 . . . . . A 110 VAL HG21 . 18712 1 1103 . 1 1 110 110 VAL HG22 H 1 0.909 0.000 . . . . . A 110 VAL HG22 . 18712 1 1104 . 1 1 110 110 VAL HG23 H 1 0.909 0.000 . . . . . A 110 VAL HG23 . 18712 1 1105 . 1 1 110 110 VAL CB C 13 33.672 0.000 . . . . . A 110 VAL CB . 18712 1 1106 . 1 1 110 110 VAL CG2 C 13 21.367 0.000 . . . . . A 110 VAL CG2 . 18712 1 1107 . 1 1 110 110 VAL N N 15 121.892 0.000 . . . . . A 110 VAL N . 18712 1 1108 . 1 1 111 111 PHE H H 1 9.459 0.000 . . . . . A 111 PHE H . 18712 1 1109 . 1 1 111 111 PHE HA H 1 4.995 0.000 . . . . . A 111 PHE HA . 18712 1 1110 . 1 1 111 111 PHE HB2 H 1 2.959 0.000 . . . . . A 111 PHE HB2 . 18712 1 1111 . 1 1 111 111 PHE HB3 H 1 2.927 0.000 . . . . . A 111 PHE HB3 . 18712 1 1112 . 1 1 111 111 PHE HD1 H 1 7.198 0.000 . . . . . A 111 PHE HD1 . 18712 1 1113 . 1 1 111 111 PHE HD2 H 1 7.198 0.000 . . . . . A 111 PHE HD2 . 18712 1 1114 . 1 1 111 111 PHE HE1 H 1 7.208 0.001 . . . . . A 111 PHE HE1 . 18712 1 1115 . 1 1 111 111 PHE HE2 H 1 7.208 0.001 . . . . . A 111 PHE HE2 . 18712 1 1116 . 1 1 111 111 PHE CA C 13 56.172 0.000 . . . . . A 111 PHE CA . 18712 1 1117 . 1 1 111 111 PHE CB C 13 42.109 0.000 . . . . . A 111 PHE CB . 18712 1 1118 . 1 1 111 111 PHE CD1 C 13 132.407 0.000 . . . . . A 111 PHE CD1 . 18712 1 1119 . 1 1 111 111 PHE CE1 C 13 131.000 0.000 . . . . . A 111 PHE CE1 . 18712 1 1120 . 1 1 111 111 PHE N N 15 126.578 0.000 . . . . . A 111 PHE N . 18712 1 1121 . 1 1 112 112 ASN H H 1 10.663 0.000 . . . . . A 112 ASN H . 18712 1 1122 . 1 1 112 112 ASN HA H 1 5.425 0.000 . . . . . A 112 ASN HA . 18712 1 1123 . 1 1 112 112 ASN HB2 H 1 3.008 0.000 . . . . . A 112 ASN HB2 . 18712 1 1124 . 1 1 112 112 ASN HB3 H 1 2.683 0.000 . . . . . A 112 ASN HB3 . 18712 1 1125 . 1 1 112 112 ASN HD21 H 1 7.630 0.000 . . . . . A 112 ASN HD21 . 18712 1 1126 . 1 1 112 112 ASN HD22 H 1 6.988 0.000 . . . . . A 112 ASN HD22 . 18712 1 1127 . 1 1 112 112 ASN CA C 13 52.656 0.000 . . . . . A 112 ASN CA . 18712 1 1128 . 1 1 112 112 ASN CB C 13 42.109 0.000 . . . . . A 112 ASN CB . 18712 1 1129 . 1 1 112 112 ASN N N 15 121.797 0.000 . . . . . A 112 ASN N . 18712 1 1130 . 1 1 112 112 ASN ND2 N 15 113.547 0.000 . . . . . A 112 ASN ND2 . 18712 1 1131 . 1 1 113 113 ARG H H 1 9.138 0.000 . . . . . A 113 ARG H . 18712 1 1132 . 1 1 113 113 ARG HA H 1 4.435 0.000 . . . . . A 113 ARG HA . 18712 1 1133 . 1 1 113 113 ARG HB2 H 1 2.170 0.000 . . . . . A 113 ARG HB2 . 18712 1 1134 . 1 1 113 113 ARG HB3 H 1 2.064 0.000 . . . . . A 113 ARG HB3 . 18712 1 1135 . 1 1 113 113 ARG HG2 H 1 1.874 0.000 . . . . . A 113 ARG HG2 . 18712 1 1136 . 1 1 113 113 ARG HG3 H 1 1.690 0.000 . . . . . A 113 ARG HG3 . 18712 1 1137 . 1 1 113 113 ARG HD2 H 1 3.453 0.000 . . . . . A 113 ARG HD2 . 18712 1 1138 . 1 1 113 113 ARG HD3 H 1 3.357 0.000 . . . . . A 113 ARG HD3 . 18712 1 1139 . 1 1 113 113 ARG CA C 13 59.687 0.000 . . . . . A 113 ARG CA . 18712 1 1140 . 1 1 113 113 ARG CB C 13 30.859 0.000 . . . . . A 113 ARG CB . 18712 1 1141 . 1 1 113 113 ARG CG C 13 27.344 0.000 . . . . . A 113 ARG CG . 18712 1 1142 . 1 1 113 113 ARG CD C 13 43.164 0.000 . . . . . A 113 ARG CD . 18712 1 1143 . 1 1 113 113 ARG N N 15 130.516 0.000 . . . . . A 113 ARG N . 18712 1 1144 . 1 1 114 114 GLU H H 1 8.924 0.000 . . . . . A 114 GLU H . 18712 1 1145 . 1 1 114 114 GLU HA H 1 4.142 0.000 . . . . . A 114 GLU HA . 18712 1 1146 . 1 1 114 114 GLU HB2 H 1 2.099 0.000 . . . . . A 114 GLU HB2 . 18712 1 1147 . 1 1 114 114 GLU HB3 H 1 1.943 0.000 . . . . . A 114 GLU HB3 . 18712 1 1148 . 1 1 114 114 GLU HG2 H 1 2.372 0.000 . . . . . A 114 GLU HG2 . 18712 1 1149 . 1 1 114 114 GLU HG3 H 1 2.301 0.000 . . . . . A 114 GLU HG3 . 18712 1 1150 . 1 1 114 114 GLU CA C 13 58.281 0.000 . . . . . A 114 GLU CA . 18712 1 1151 . 1 1 114 114 GLU CB C 13 29.453 0.000 . . . . . A 114 GLU CB . 18712 1 1152 . 1 1 114 114 GLU CG C 13 36.484 0.000 . . . . . A 114 GLU CG . 18712 1 1153 . 1 1 114 114 GLU N N 15 119.008 0.000 . . . . . A 114 GLU N . 18712 1 1154 . 1 1 115 115 ASP H H 1 7.356 0.000 . . . . . A 115 ASP H . 18712 1 1155 . 1 1 115 115 ASP HA H 1 4.869 0.000 . . . . . A 115 ASP HA . 18712 1 1156 . 1 1 115 115 ASP HB2 H 1 3.086 0.000 . . . . . A 115 ASP HB2 . 18712 1 1157 . 1 1 115 115 ASP HB3 H 1 2.673 0.000 . . . . . A 115 ASP HB3 . 18712 1 1158 . 1 1 115 115 ASP CA C 13 54.062 0.000 . . . . . A 115 ASP CA . 18712 1 1159 . 1 1 115 115 ASP CB C 13 42.109 0.000 . . . . . A 115 ASP CB . 18712 1 1160 . 1 1 115 115 ASP N N 15 116.593 0.000 . . . . . A 115 ASP N . 18712 1 1161 . 1 1 116 116 GLY H H 1 7.918 0.000 . . . . . A 116 GLY H . 18712 1 1162 . 1 1 116 116 GLY HA2 H 1 4.345 0.000 . . . . . A 116 GLY HA2 . 18712 1 1163 . 1 1 116 116 GLY HA3 H 1 3.753 0.000 . . . . . A 116 GLY HA3 . 18712 1 1164 . 1 1 116 116 GLY CA C 13 44.922 0.000 . . . . . A 116 GLY CA . 18712 1 1165 . 1 1 116 116 GLY N N 15 106.689 0.000 . . . . . A 116 GLY N . 18712 1 1166 . 1 1 117 117 ASP H H 1 7.220 0.000 . . . . . A 117 ASP H . 18712 1 1167 . 1 1 117 117 ASP HA H 1 4.632 0.000 . . . . . A 117 ASP HA . 18712 1 1168 . 1 1 117 117 ASP HB2 H 1 2.671 0.000 . . . . . A 117 ASP HB2 . 18712 1 1169 . 1 1 117 117 ASP HB3 H 1 2.314 0.000 . . . . . A 117 ASP HB3 . 18712 1 1170 . 1 1 117 117 ASP CA C 13 55.468 0.000 . . . . . A 117 ASP CA . 18712 1 1171 . 1 1 117 117 ASP CB C 13 41.406 0.000 . . . . . A 117 ASP CB . 18712 1 1172 . 1 1 117 117 ASP N N 15 119.329 0.000 . . . . . A 117 ASP N . 18712 1 1173 . 1 1 118 118 GLU H H 1 8.626 0.000 . . . . . A 118 GLU H . 18712 1 1174 . 1 1 118 118 GLU HA H 1 4.240 0.000 . . . . . A 118 GLU HA . 18712 1 1175 . 1 1 118 118 GLU HB2 H 1 1.925 0.000 . . . . . A 118 GLU HB2 . 18712 1 1176 . 1 1 118 118 GLU HG2 H 1 2.242 0.000 . . . . . A 118 GLU HG2 . 18712 1 1177 . 1 1 118 118 GLU HG3 H 1 2.123 0.000 . . . . . A 118 GLU HG3 . 18712 1 1178 . 1 1 118 118 GLU CA C 13 56.875 0.000 . . . . . A 118 GLU CA . 18712 1 1179 . 1 1 118 118 GLU CB C 13 29.453 0.000 . . . . . A 118 GLU CB . 18712 1 1180 . 1 1 118 118 GLU CG C 13 35.781 0.000 . . . . . A 118 GLU CG . 18712 1 1181 . 1 1 118 118 GLU N N 15 123.484 0.000 . . . . . A 118 GLU N . 18712 1 1182 . 1 1 119 119 LEU H H 1 8.106 0.000 . . . . . A 119 LEU H . 18712 1 1183 . 1 1 119 119 LEU HA H 1 4.759 0.000 . . . . . A 119 LEU HA . 18712 1 1184 . 1 1 119 119 LEU HB2 H 1 1.474 0.000 . . . . . A 119 LEU HB2 . 18712 1 1185 . 1 1 119 119 LEU HB3 H 1 1.290 0.000 . . . . . A 119 LEU HB3 . 18712 1 1186 . 1 1 119 119 LEU HD11 H 1 0.630 0.000 . . . . . A 119 LEU HD11 . 18712 1 1187 . 1 1 119 119 LEU HD12 H 1 0.630 0.000 . . . . . A 119 LEU HD12 . 18712 1 1188 . 1 1 119 119 LEU HD13 H 1 0.630 0.000 . . . . . A 119 LEU HD13 . 18712 1 1189 . 1 1 119 119 LEU HD21 H 1 0.752 0.000 . . . . . A 119 LEU HD21 . 18712 1 1190 . 1 1 119 119 LEU HD22 H 1 0.752 0.000 . . . . . A 119 LEU HD22 . 18712 1 1191 . 1 1 119 119 LEU HD23 H 1 0.752 0.000 . . . . . A 119 LEU HD23 . 18712 1 1192 . 1 1 119 119 LEU CB C 13 44.219 0.000 . . . . . A 119 LEU CB . 18712 1 1193 . 1 1 119 119 LEU CD1 C 13 25.938 0.000 . . . . . A 119 LEU CD1 . 18712 1 1194 . 1 1 119 119 LEU CD2 C 13 23.828 0.000 . . . . . A 119 LEU CD2 . 18712 1 1195 . 1 1 119 119 LEU N N 15 129.139 0.000 . . . . . A 119 LEU N . 18712 1 1196 . 1 1 120 120 PRO HB2 H 1 2.128 0.000 . . . . . A 120 PRO HB2 . 18712 1 1197 . 1 1 120 120 PRO HG2 H 1 1.925 0.000 . . . . . A 120 PRO HG2 . 18712 1 1198 . 1 1 120 120 PRO HG3 H 1 2.062 0.000 . . . . . A 120 PRO HG3 . 18712 1 1199 . 1 1 120 120 PRO HD2 H 1 3.101 0.000 . . . . . A 120 PRO HD2 . 18712 1 1200 . 1 1 120 120 PRO HD3 H 1 3.783 0.000 . . . . . A 120 PRO HD3 . 18712 1 1201 . 1 1 120 120 PRO CB C 13 31.914 0.000 . . . . . A 120 PRO CB . 18712 1 1202 . 1 1 120 120 PRO CG C 13 27.695 0.000 . . . . . A 120 PRO CG . 18712 1 1203 . 1 1 120 120 PRO CD C 13 50.547 0.000 . . . . . A 120 PRO CD . 18712 1 1204 . 1 1 121 121 PRO HA H 1 4.269 0.000 . . . . . A 121 PRO HA . 18712 1 1205 . 1 1 121 121 PRO HB2 H 1 2.298 0.000 . . . . . A 121 PRO HB2 . 18712 1 1206 . 1 1 121 121 PRO HB3 H 1 1.877 0.000 . . . . . A 121 PRO HB3 . 18712 1 1207 . 1 1 121 121 PRO HG2 H 1 2.126 0.000 . . . . . A 121 PRO HG2 . 18712 1 1208 . 1 1 121 121 PRO HG3 H 1 2.044 0.000 . . . . . A 121 PRO HG3 . 18712 1 1209 . 1 1 121 121 PRO HD2 H 1 3.856 0.000 . . . . . A 121 PRO HD2 . 18712 1 1210 . 1 1 121 121 PRO HD3 H 1 3.580 0.000 . . . . . A 121 PRO HD3 . 18712 1 1211 . 1 1 121 121 PRO CA C 13 63.906 0.000 . . . . . A 121 PRO CA . 18712 1 1212 . 1 1 121 121 PRO CB C 13 31.563 0.000 . . . . . A 121 PRO CB . 18712 1 1213 . 1 1 121 121 PRO CG C 13 27.695 0.000 . . . . . A 121 PRO CG . 18712 1 1214 . 1 1 121 121 PRO CD C 13 50.195 0.000 . . . . . A 121 PRO CD . 18712 1 1215 . 1 1 122 122 GLY H H 1 8.827 0.000 . . . . . A 122 GLY H . 18712 1 1216 . 1 1 122 122 GLY HA2 H 1 4.218 0.000 . . . . . A 122 GLY HA2 . 18712 1 1217 . 1 1 122 122 GLY HA3 H 1 3.721 0.000 . . . . . A 122 GLY HA3 . 18712 1 1218 . 1 1 122 122 GLY CA C 13 45.625 0.000 . . . . . A 122 GLY CA . 18712 1 1219 . 1 1 122 122 GLY N N 15 112.656 0.000 . . . . . A 122 GLY N . 18712 1 1220 . 1 1 123 123 VAL H H 1 7.845 0.000 . . . . . A 123 VAL H . 18712 1 1221 . 1 1 123 123 VAL HA H 1 4.017 0.000 . . . . . A 123 VAL HA . 18712 1 1222 . 1 1 123 123 VAL HB H 1 2.131 0.000 . . . . . A 123 VAL HB . 18712 1 1223 . 1 1 123 123 VAL HG11 H 1 0.865 0.000 . . . . . A 123 VAL HG11 . 18712 1 1224 . 1 1 123 123 VAL HG12 H 1 0.865 0.000 . . . . . A 123 VAL HG12 . 18712 1 1225 . 1 1 123 123 VAL HG13 H 1 0.865 0.000 . . . . . A 123 VAL HG13 . 18712 1 1226 . 1 1 123 123 VAL HG21 H 1 0.735 0.000 . . . . . A 123 VAL HG21 . 18712 1 1227 . 1 1 123 123 VAL HG22 H 1 0.735 0.000 . . . . . A 123 VAL HG22 . 18712 1 1228 . 1 1 123 123 VAL HG23 H 1 0.735 0.000 . . . . . A 123 VAL HG23 . 18712 1 1229 . 1 1 123 123 VAL CA C 13 62.851 0.000 . . . . . A 123 VAL CA . 18712 1 1230 . 1 1 123 123 VAL CB C 13 32.266 0.000 . . . . . A 123 VAL CB . 18712 1 1231 . 1 1 123 123 VAL CG1 C 13 22.422 0.000 . . . . . A 123 VAL CG1 . 18712 1 1232 . 1 1 123 123 VAL CG2 C 13 22.422 0.000 . . . . . A 123 VAL CG2 . 18712 1 1233 . 1 1 123 123 VAL N N 15 119.406 0.000 . . . . . A 123 VAL N . 18712 1 1234 . 1 1 124 124 ASN H H 1 9.206 0.000 . . . . . A 124 ASN H . 18712 1 1235 . 1 1 124 124 ASN HA H 1 4.877 0.000 . . . . . A 124 ASN HA . 18712 1 1236 . 1 1 124 124 ASN HB2 H 1 2.922 0.000 . . . . . A 124 ASN HB2 . 18712 1 1237 . 1 1 124 124 ASN HB3 H 1 2.765 0.000 . . . . . A 124 ASN HB3 . 18712 1 1238 . 1 1 124 124 ASN HD21 H 1 7.238 0.000 . . . . . A 124 ASN HD21 . 18712 1 1239 . 1 1 124 124 ASN HD22 H 1 7.546 0.000 . . . . . A 124 ASN HD22 . 18712 1 1240 . 1 1 124 124 ASN CA C 13 54.765 0.000 . . . . . A 124 ASN CA . 18712 1 1241 . 1 1 124 124 ASN CB C 13 40.000 0.000 . . . . . A 124 ASN CB . 18712 1 1242 . 1 1 124 124 ASN N N 15 124.609 0.000 . . . . . A 124 ASN N . 18712 1 1243 . 1 1 124 124 ASN ND2 N 15 114.484 0.000 . . . . . A 124 ASN ND2 . 18712 1 1244 . 1 1 125 125 GLN H H 1 7.756 0.000 . . . . . A 125 GLN H . 18712 1 1245 . 1 1 125 125 GLN HA H 1 5.234 0.000 . . . . . A 125 GLN HA . 18712 1 1246 . 1 1 125 125 GLN HB2 H 1 1.912 0.000 . . . . . A 125 GLN HB2 . 18712 1 1247 . 1 1 125 125 GLN HB3 H 1 2.194 0.000 . . . . . A 125 GLN HB3 . 18712 1 1248 . 1 1 125 125 GLN HG2 H 1 2.397 0.000 . . . . . A 125 GLN HG2 . 18712 1 1249 . 1 1 125 125 GLN HG3 H 1 2.512 0.000 . . . . . A 125 GLN HG3 . 18712 1 1250 . 1 1 125 125 GLN HE21 H 1 6.994 0.000 . . . . . A 125 GLN HE21 . 18712 1 1251 . 1 1 125 125 GLN HE22 H 1 6.951 0.000 . . . . . A 125 GLN HE22 . 18712 1 1252 . 1 1 125 125 GLN CA C 13 56.172 0.000 . . . . . A 125 GLN CA . 18712 1 1253 . 1 1 125 125 GLN CB C 13 33.672 0.000 . . . . . A 125 GLN CB . 18712 1 1254 . 1 1 125 125 GLN CG C 13 34.922 0.442 . . . . . A 125 GLN CG . 18712 1 1255 . 1 1 125 125 GLN N N 15 117.959 0.000 . . . . . A 125 GLN N . 18712 1 1256 . 1 1 125 125 GLN NE2 N 15 110.031 0.000 . . . . . A 125 GLN NE2 . 18712 1 1257 . 1 1 126 126 LEU H H 1 8.866 0.000 . . . . . A 126 LEU H . 18712 1 1258 . 1 1 126 126 LEU HA H 1 5.261 0.000 . . . . . A 126 LEU HA . 18712 1 1259 . 1 1 126 126 LEU HB2 H 1 1.715 0.000 . . . . . A 126 LEU HB2 . 18712 1 1260 . 1 1 126 126 LEU HB3 H 1 1.437 0.000 . . . . . A 126 LEU HB3 . 18712 1 1261 . 1 1 126 126 LEU HD11 H 1 0.894 0.000 . . . . . A 126 LEU HD11 . 18712 1 1262 . 1 1 126 126 LEU HD12 H 1 0.894 0.000 . . . . . A 126 LEU HD12 . 18712 1 1263 . 1 1 126 126 LEU HD13 H 1 0.894 0.000 . . . . . A 126 LEU HD13 . 18712 1 1264 . 1 1 126 126 LEU HD21 H 1 0.704 0.000 . . . . . A 126 LEU HD21 . 18712 1 1265 . 1 1 126 126 LEU HD22 H 1 0.704 0.000 . . . . . A 126 LEU HD22 . 18712 1 1266 . 1 1 126 126 LEU HD23 H 1 0.704 0.000 . . . . . A 126 LEU HD23 . 18712 1 1267 . 1 1 126 126 LEU CA C 13 54.765 0.000 . . . . . A 126 LEU CA . 18712 1 1268 . 1 1 126 126 LEU CB C 13 47.734 0.000 . . . . . A 126 LEU CB . 18712 1 1269 . 1 1 126 126 LEU CD1 C 13 24.883 0.000 . . . . . A 126 LEU CD1 . 18712 1 1270 . 1 1 126 126 LEU CD2 C 13 25.235 0.000 . . . . . A 126 LEU CD2 . 18712 1 1271 . 1 1 126 126 LEU N N 15 125.559 0.000 . . . . . A 126 LEU N . 18712 1 1272 . 1 1 127 127 VAL H H 1 9.367 0.000 . . . . . A 127 VAL H . 18712 1 1273 . 1 1 127 127 VAL HA H 1 5.127 0.000 . . . . . A 127 VAL HA . 18712 1 1274 . 1 1 127 127 VAL HB H 1 1.943 0.000 . . . . . A 127 VAL HB . 18712 1 1275 . 1 1 127 127 VAL HG11 H 1 0.894 0.000 . . . . . A 127 VAL HG11 . 18712 1 1276 . 1 1 127 127 VAL HG12 H 1 0.894 0.000 . . . . . A 127 VAL HG12 . 18712 1 1277 . 1 1 127 127 VAL HG13 H 1 0.894 0.000 . . . . . A 127 VAL HG13 . 18712 1 1278 . 1 1 127 127 VAL HG21 H 1 0.987 0.000 . . . . . A 127 VAL HG21 . 18712 1 1279 . 1 1 127 127 VAL HG22 H 1 0.987 0.000 . . . . . A 127 VAL HG22 . 18712 1 1280 . 1 1 127 127 VAL HG23 H 1 0.987 0.000 . . . . . A 127 VAL HG23 . 18712 1 1281 . 1 1 127 127 VAL CA C 13 60.390 0.000 . . . . . A 127 VAL CA . 18712 1 1282 . 1 1 127 127 VAL CB C 13 35.078 0.000 . . . . . A 127 VAL CB . 18712 1 1283 . 1 1 127 127 VAL CG1 C 13 22.422 0.000 . . . . . A 127 VAL CG1 . 18712 1 1284 . 1 1 127 127 VAL CG2 C 13 21.367 0.000 . . . . . A 127 VAL CG2 . 18712 1 1285 . 1 1 127 127 VAL N N 15 126.578 0.000 . . . . . A 127 VAL N . 18712 1 1286 . 1 1 128 128 ARG H H 1 9.502 0.000 . . . . . A 128 ARG H . 18712 1 1287 . 1 1 128 128 ARG HA H 1 5.259 0.000 . . . . . A 128 ARG HA . 18712 1 1288 . 1 1 128 128 ARG HB2 H 1 1.736 0.000 . . . . . A 128 ARG HB2 . 18712 1 1289 . 1 1 128 128 ARG HB3 H 1 1.664 0.000 . . . . . A 128 ARG HB3 . 18712 1 1290 . 1 1 128 128 ARG HG2 H 1 1.307 0.000 . . . . . A 128 ARG HG2 . 18712 1 1291 . 1 1 128 128 ARG HG3 H 1 1.557 0.000 . . . . . A 128 ARG HG3 . 18712 1 1292 . 1 1 128 128 ARG HD2 H 1 3.233 0.000 . . . . . A 128 ARG HD2 . 18712 1 1293 . 1 1 128 128 ARG CA C 13 54.765 0.000 . . . . . A 128 ARG CA . 18712 1 1294 . 1 1 128 128 ARG CB C 13 33.672 0.000 . . . . . A 128 ARG CB . 18712 1 1295 . 1 1 128 128 ARG CG C 13 28.750 0.000 . . . . . A 128 ARG CG . 18712 1 1296 . 1 1 128 128 ARG CD C 13 43.516 0.000 . . . . . A 128 ARG CD . 18712 1 1297 . 1 1 128 128 ARG N N 15 126.578 0.000 . . . . . A 128 ARG N . 18712 1 1298 . 1 1 129 129 VAL H H 1 9.051 0.000 . . . . . A 129 VAL H . 18712 1 1299 . 1 1 129 129 VAL HA H 1 4.489 0.000 . . . . . A 129 VAL HA . 18712 1 1300 . 1 1 129 129 VAL HB H 1 1.837 0.000 . . . . . A 129 VAL HB . 18712 1 1301 . 1 1 129 129 VAL HG11 H 1 1.014 0.000 . . . . . A 129 VAL HG11 . 18712 1 1302 . 1 1 129 129 VAL HG12 H 1 1.014 0.000 . . . . . A 129 VAL HG12 . 18712 1 1303 . 1 1 129 129 VAL HG13 H 1 1.014 0.000 . . . . . A 129 VAL HG13 . 18712 1 1304 . 1 1 129 129 VAL HG21 H 1 0.808 0.000 . . . . . A 129 VAL HG21 . 18712 1 1305 . 1 1 129 129 VAL HG22 H 1 0.808 0.000 . . . . . A 129 VAL HG22 . 18712 1 1306 . 1 1 129 129 VAL HG23 H 1 0.808 0.000 . . . . . A 129 VAL HG23 . 18712 1 1307 . 1 1 129 129 VAL CA C 13 61.093 0.000 . . . . . A 129 VAL CA . 18712 1 1308 . 1 1 129 129 VAL CB C 13 35.078 0.000 . . . . . A 129 VAL CB . 18712 1 1309 . 1 1 129 129 VAL CG1 C 13 23.125 0.000 . . . . . A 129 VAL CG1 . 18712 1 1310 . 1 1 129 129 VAL CG2 C 13 21.719 0.000 . . . . . A 129 VAL CG2 . 18712 1 1311 . 1 1 129 129 VAL N N 15 123.977 0.000 . . . . . A 129 VAL N . 18712 1 1312 . 1 1 130 130 TYR H H 1 8.650 0.000 . . . . . A 130 TYR H . 18712 1 1313 . 1 1 130 130 TYR HA H 1 5.419 0.000 . . . . . A 130 TYR HA . 18712 1 1314 . 1 1 130 130 TYR HB2 H 1 3.016 0.000 . . . . . A 130 TYR HB2 . 18712 1 1315 . 1 1 130 130 TYR HB3 H 1 2.754 0.000 . . . . . A 130 TYR HB3 . 18712 1 1316 . 1 1 130 130 TYR HD1 H 1 6.971 0.000 . . . . . A 130 TYR HD1 . 18712 1 1317 . 1 1 130 130 TYR HD2 H 1 6.971 0.000 . . . . . A 130 TYR HD2 . 18712 1 1318 . 1 1 130 130 TYR HE1 H 1 6.659 0.000 . . . . . A 130 TYR HE1 . 18712 1 1319 . 1 1 130 130 TYR HE2 H 1 6.659 0.000 . . . . . A 130 TYR HE2 . 18712 1 1320 . 1 1 130 130 TYR CA C 13 56.172 0.000 . . . . . A 130 TYR CA . 18712 1 1321 . 1 1 130 130 TYR CB C 13 39.297 0.000 . . . . . A 130 TYR CB . 18712 1 1322 . 1 1 130 130 TYR CD1 C 13 133.286 0.000 . . . . . A 130 TYR CD1 . 18712 1 1323 . 1 1 130 130 TYR CE1 C 13 118.691 0.000 . . . . . A 130 TYR CE1 . 18712 1 1324 . 1 1 130 130 TYR N N 15 124.673 0.000 . . . . . A 130 TYR N . 18712 1 1325 . 1 1 131 131 ILE H H 1 9.509 0.000 . . . . . A 131 ILE H . 18712 1 1326 . 1 1 131 131 ILE HA H 1 4.869 0.000 . . . . . A 131 ILE HA . 18712 1 1327 . 1 1 131 131 ILE HB H 1 2.013 0.000 . . . . . A 131 ILE HB . 18712 1 1328 . 1 1 131 131 ILE HG13 H 1 1.747 0.000 . . . . . A 131 ILE HG13 . 18712 1 1329 . 1 1 131 131 ILE HG21 H 1 0.758 0.000 . . . . . A 131 ILE HG21 . 18712 1 1330 . 1 1 131 131 ILE HG22 H 1 0.758 0.000 . . . . . A 131 ILE HG22 . 18712 1 1331 . 1 1 131 131 ILE HG23 H 1 0.758 0.000 . . . . . A 131 ILE HG23 . 18712 1 1332 . 1 1 131 131 ILE HD11 H 1 0.704 0.000 . . . . . A 131 ILE HD11 . 18712 1 1333 . 1 1 131 131 ILE HD12 H 1 0.704 0.000 . . . . . A 131 ILE HD12 . 18712 1 1334 . 1 1 131 131 ILE HD13 H 1 0.704 0.000 . . . . . A 131 ILE HD13 . 18712 1 1335 . 1 1 131 131 ILE CB C 13 40.000 0.000 . . . . . A 131 ILE CB . 18712 1 1336 . 1 1 131 131 ILE CG1 C 13 28.047 0.000 . . . . . A 131 ILE CG1 . 18712 1 1337 . 1 1 131 131 ILE CG2 C 13 16.446 0.000 . . . . . A 131 ILE CG2 . 18712 1 1338 . 1 1 131 131 ILE CD1 C 13 13.282 0.000 . . . . . A 131 ILE CD1 . 18712 1 1339 . 1 1 131 131 ILE N N 15 125.227 0.000 . . . . . A 131 ILE N . 18712 1 1340 . 1 1 132 132 VAL H H 1 9.606 0.000 . . . . . A 132 VAL H . 18712 1 1341 . 1 1 132 132 VAL HA H 1 4.729 0.001 . . . . . A 132 VAL HA . 18712 1 1342 . 1 1 132 132 VAL HB H 1 1.946 0.000 . . . . . A 132 VAL HB . 18712 1 1343 . 1 1 132 132 VAL HG11 H 1 0.968 0.000 . . . . . A 132 VAL HG11 . 18712 1 1344 . 1 1 132 132 VAL HG12 H 1 0.968 0.000 . . . . . A 132 VAL HG12 . 18712 1 1345 . 1 1 132 132 VAL HG13 H 1 0.968 0.000 . . . . . A 132 VAL HG13 . 18712 1 1346 . 1 1 132 132 VAL HG21 H 1 0.902 0.000 . . . . . A 132 VAL HG21 . 18712 1 1347 . 1 1 132 132 VAL HG22 H 1 0.902 0.000 . . . . . A 132 VAL HG22 . 18712 1 1348 . 1 1 132 132 VAL HG23 H 1 0.902 0.000 . . . . . A 132 VAL HG23 . 18712 1 1349 . 1 1 132 132 VAL CA C 13 61.093 0.000 . . . . . A 132 VAL CA . 18712 1 1350 . 1 1 132 132 VAL CB C 13 33.672 0.000 . . . . . A 132 VAL CB . 18712 1 1351 . 1 1 132 132 VAL CG1 C 13 21.016 0.000 . . . . . A 132 VAL CG1 . 18712 1 1352 . 1 1 132 132 VAL CG2 C 13 22.422 0.000 . . . . . A 132 VAL CG2 . 18712 1 1353 . 1 1 132 132 VAL N N 15 126.859 0.000 . . . . . A 132 VAL N . 18712 1 1354 . 1 1 133 133 GLN H H 1 9.153 0.000 . . . . . A 133 GLN H . 18712 1 1355 . 1 1 133 133 GLN HA H 1 4.751 0.000 . . . . . A 133 GLN HA . 18712 1 1356 . 1 1 133 133 GLN HB2 H 1 2.052 0.000 . . . . . A 133 GLN HB2 . 18712 1 1357 . 1 1 133 133 GLN HB3 H 1 2.083 0.000 . . . . . A 133 GLN HB3 . 18712 1 1358 . 1 1 133 133 GLN HG2 H 1 2.361 0.000 . . . . . A 133 GLN HG2 . 18712 1 1359 . 1 1 133 133 GLN HG3 H 1 2.477 0.000 . . . . . A 133 GLN HG3 . 18712 1 1360 . 1 1 133 133 GLN HE21 H 1 7.551 0.000 . . . . . A 133 GLN HE21 . 18712 1 1361 . 1 1 133 133 GLN HE22 H 1 6.976 0.000 . . . . . A 133 GLN HE22 . 18712 1 1362 . 1 1 133 133 GLN CA C 13 54.765 0.000 . . . . . A 133 GLN CA . 18712 1 1363 . 1 1 133 133 GLN CB C 13 31.563 0.000 . . . . . A 133 GLN CB . 18712 1 1364 . 1 1 133 133 GLN CG C 13 34.375 0.000 . . . . . A 133 GLN CG . 18712 1 1365 . 1 1 133 133 GLN N N 15 128.406 0.000 . . . . . A 133 GLN N . 18712 1 1366 . 1 1 133 133 GLN NE2 N 15 111.203 0.000 . . . . . A 133 GLN NE2 . 18712 1 1367 . 1 1 134 134 LYS H H 1 8.561 0.000 . . . . . A 134 LYS H . 18712 1 1368 . 1 1 134 134 LYS HA H 1 4.725 0.000 . . . . . A 134 LYS HA . 18712 1 1369 . 1 1 134 134 LYS HB2 H 1 1.693 0.000 . . . . . A 134 LYS HB2 . 18712 1 1370 . 1 1 134 134 LYS HG2 H 1 1.450 0.000 . . . . . A 134 LYS HG2 . 18712 1 1371 . 1 1 134 134 LYS HG3 H 1 1.310 0.000 . . . . . A 134 LYS HG3 . 18712 1 1372 . 1 1 134 134 LYS HD3 H 1 1.664 0.000 . . . . . A 134 LYS HD3 . 18712 1 1373 . 1 1 134 134 LYS HE2 H 1 2.931 0.000 . . . . . A 134 LYS HE2 . 18712 1 1374 . 1 1 134 134 LYS HE3 H 1 2.900 0.000 . . . . . A 134 LYS HE3 . 18712 1 1375 . 1 1 134 134 LYS CA C 13 56.172 0.000 . . . . . A 134 LYS CA . 18712 1 1376 . 1 1 134 134 LYS CB C 13 33.320 0.000 . . . . . A 134 LYS CB . 18712 1 1377 . 1 1 134 134 LYS CG C 13 25.235 0.000 . . . . . A 134 LYS CG . 18712 1 1378 . 1 1 134 134 LYS CE C 13 42.109 0.000 . . . . . A 134 LYS CE . 18712 1 1379 . 1 1 134 134 LYS N N 15 122.929 0.000 . . . . . A 134 LYS N . 18712 1 1380 . 1 1 135 135 ARG H H 1 8.596 0.000 . . . . . A 135 ARG H . 18712 1 1381 . 1 1 135 135 ARG HA H 1 4.503 0.000 . . . . . A 135 ARG HA . 18712 1 1382 . 1 1 135 135 ARG HB2 H 1 1.783 0.000 . . . . . A 135 ARG HB2 . 18712 1 1383 . 1 1 135 135 ARG HB3 H 1 1.697 0.000 . . . . . A 135 ARG HB3 . 18712 1 1384 . 1 1 135 135 ARG HG2 H 1 1.543 0.000 . . . . . A 135 ARG HG2 . 18712 1 1385 . 1 1 135 135 ARG HD2 H 1 3.062 0.000 . . . . . A 135 ARG HD2 . 18712 1 1386 . 1 1 135 135 ARG CA C 13 55.468 0.000 . . . . . A 135 ARG CA . 18712 1 1387 . 1 1 135 135 ARG CB C 13 32.266 0.000 . . . . . A 135 ARG CB . 18712 1 1388 . 1 1 135 135 ARG CG C 13 27.344 0.000 . . . . . A 135 ARG CG . 18712 1 1389 . 1 1 135 135 ARG CD C 13 43.516 0.000 . . . . . A 135 ARG CD . 18712 1 1390 . 1 1 135 135 ARG N N 15 123.484 0.000 . . . . . A 135 ARG N . 18712 1 1391 . 1 1 136 136 LYS H H 1 8.608 0.000 . . . . . A 136 LYS H . 18712 1 1392 . 1 1 136 136 LYS HA H 1 4.467 0.000 . . . . . A 136 LYS HA . 18712 1 1393 . 1 1 136 136 LYS HB2 H 1 1.789 0.000 . . . . . A 136 LYS HB2 . 18712 1 1394 . 1 1 136 136 LYS HB3 H 1 1.679 0.000 . . . . . A 136 LYS HB3 . 18712 1 1395 . 1 1 136 136 LYS HG2 H 1 1.423 0.000 . . . . . A 136 LYS HG2 . 18712 1 1396 . 1 1 136 136 LYS HG3 H 1 1.350 0.000 . . . . . A 136 LYS HG3 . 18712 1 1397 . 1 1 136 136 LYS HD2 H 1 1.669 0.000 . . . . . A 136 LYS HD2 . 18712 1 1398 . 1 1 136 136 LYS HE2 H 1 2.992 0.000 . . . . . A 136 LYS HE2 . 18712 1 1399 . 1 1 136 136 LYS CA C 13 56.172 0.000 . . . . . A 136 LYS CA . 18712 1 1400 . 1 1 136 136 LYS CB C 13 32.969 0.000 . . . . . A 136 LYS CB . 18712 1 1401 . 1 1 136 136 LYS CG C 13 25.235 0.000 . . . . . A 136 LYS CG . 18712 1 1402 . 1 1 136 136 LYS CD C 13 29.453 0.000 . . . . . A 136 LYS CD . 18712 1 1403 . 1 1 136 136 LYS CE C 13 42.109 0.000 . . . . . A 136 LYS CE . 18712 1 1404 . 1 1 136 136 LYS N N 15 123.906 0.000 . . . . . A 136 LYS N . 18712 1 1405 . 1 1 137 137 ILE H H 1 8.353 0.000 . . . . . A 137 ILE H . 18712 1 1406 . 1 1 137 137 ILE HA H 1 4.184 0.000 . . . . . A 137 ILE HA . 18712 1 1407 . 1 1 137 137 ILE HB H 1 1.808 0.000 . . . . . A 137 ILE HB . 18712 1 1408 . 1 1 137 137 ILE HG12 H 1 1.416 0.000 . . . . . A 137 ILE HG12 . 18712 1 1409 . 1 1 137 137 ILE HG13 H 1 1.128 0.000 . . . . . A 137 ILE HG13 . 18712 1 1410 . 1 1 137 137 ILE HG21 H 1 0.884 0.000 . . . . . A 137 ILE HG21 . 18712 1 1411 . 1 1 137 137 ILE HG22 H 1 0.884 0.000 . . . . . A 137 ILE HG22 . 18712 1 1412 . 1 1 137 137 ILE HG23 H 1 0.884 0.000 . . . . . A 137 ILE HG23 . 18712 1 1413 . 1 1 137 137 ILE HD11 H 1 0.796 0.000 . . . . . A 137 ILE HD11 . 18712 1 1414 . 1 1 137 137 ILE HD12 H 1 0.796 0.000 . . . . . A 137 ILE HD12 . 18712 1 1415 . 1 1 137 137 ILE HD13 H 1 0.796 0.000 . . . . . A 137 ILE HD13 . 18712 1 1416 . 1 1 137 137 ILE CA C 13 61.093 0.000 . . . . . A 137 ILE CA . 18712 1 1417 . 1 1 137 137 ILE CB C 13 38.594 0.000 . . . . . A 137 ILE CB . 18712 1 1418 . 1 1 137 137 ILE CG1 C 13 27.344 0.000 . . . . . A 137 ILE CG1 . 18712 1 1419 . 1 1 137 137 ILE CG2 C 13 17.500 0.000 . . . . . A 137 ILE CG2 . 18712 1 1420 . 1 1 137 137 ILE CD1 C 13 13.282 0.000 . . . . . A 137 ILE CD1 . 18712 1 1421 . 1 1 137 137 ILE N N 15 123.571 0.000 . . . . . A 137 ILE N . 18712 1 1422 . 1 1 138 138 SER H H 1 8.410 0.000 . . . . . A 138 SER H . 18712 1 1423 . 1 1 138 138 SER HA H 1 4.503 0.000 . . . . . A 138 SER HA . 18712 1 1424 . 1 1 138 138 SER HB2 H 1 3.863 0.000 . . . . . A 138 SER HB2 . 18712 1 1425 . 1 1 138 138 SER HB3 H 1 3.824 0.000 . . . . . A 138 SER HB3 . 18712 1 1426 . 1 1 138 138 SER CA C 13 58.281 0.000 . . . . . A 138 SER CA . 18712 1 1427 . 1 1 138 138 SER CB C 13 63.906 0.000 . . . . . A 138 SER CB . 18712 1 1428 . 1 1 138 138 SER N N 15 119.547 0.000 . . . . . A 138 SER N . 18712 1 1429 . 1 1 139 139 GLU H H 1 8.489 0.000 . . . . . A 139 GLU H . 18712 1 1430 . 1 1 139 139 GLU HA H 1 4.307 0.000 . . . . . A 139 GLU HA . 18712 1 1431 . 1 1 139 139 GLU HB2 H 1 2.067 0.000 . . . . . A 139 GLU HB2 . 18712 1 1432 . 1 1 139 139 GLU HB3 H 1 1.940 0.000 . . . . . A 139 GLU HB3 . 18712 1 1433 . 1 1 139 139 GLU HG2 H 1 2.328 0.000 . . . . . A 139 GLU HG2 . 18712 1 1434 . 1 1 139 139 GLU HG3 H 1 2.255 0.000 . . . . . A 139 GLU HG3 . 18712 1 1435 . 1 1 139 139 GLU CA C 13 56.875 0.000 . . . . . A 139 GLU CA . 18712 1 1436 . 1 1 139 139 GLU CB C 13 30.156 0.000 . . . . . A 139 GLU CB . 18712 1 1437 . 1 1 139 139 GLU CG C 13 36.484 0.000 . . . . . A 139 GLU CG . 18712 1 1438 . 1 1 139 139 GLU N N 15 123.281 0.000 . . . . . A 139 GLU N . 18712 1 1439 . 1 1 140 140 GLY H H 1 8.418 0.000 . . . . . A 140 GLY H . 18712 1 1440 . 1 1 140 140 GLY HA2 H 1 3.992 0.000 . . . . . A 140 GLY HA2 . 18712 1 1441 . 1 1 140 140 GLY CA C 13 45.625 0.000 . . . . . A 140 GLY CA . 18712 1 1442 . 1 1 140 140 GLY N N 15 109.792 0.000 . . . . . A 140 GLY N . 18712 1 1443 . 1 1 141 141 ASP H H 1 8.258 0.000 . . . . . A 141 ASP H . 18712 1 1444 . 1 1 141 141 ASP HA H 1 4.619 0.000 . . . . . A 141 ASP HA . 18712 1 1445 . 1 1 141 141 ASP HB2 H 1 2.753 0.000 . . . . . A 141 ASP HB2 . 18712 1 1446 . 1 1 141 141 ASP HB3 H 1 2.700 0.000 . . . . . A 141 ASP HB3 . 18712 1 1447 . 1 1 141 141 ASP CA C 13 54.062 0.000 . . . . . A 141 ASP CA . 18712 1 1448 . 1 1 141 141 ASP CB C 13 41.406 0.000 . . . . . A 141 ASP CB . 18712 1 1449 . 1 1 141 141 ASP N N 15 120.511 0.000 . . . . . A 141 ASP N . 18712 1 stop_ save_