data_16864 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16864 _Entry.Title ; Sequence Specific 1H, 13C and 15N backbone resonance assignments of uvi31+ from Chlamydomonas reinhardtii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-14 _Entry.Accession_date 2010-04-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Resonance assignment, uvi31+, NMR, Chlamydomonas reinhardtii' _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 Ashok Rout . K. . 16864 2 Renu Minda . . . 16864 3 Dinakar Peri . . . 16864 4 S Bhattacharya . . . 16864 5 Basuthkar Rao . J. . 16864 6 Kandala Chary . V. . 16864 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Tata Institute of Fundamental Research, India' . 16864 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16864 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 401 16864 '15N chemical shifts' 111 16864 '1H chemical shifts' 494 16864 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 3 . . 2013-06-17 2010-04-15 update author 'Update assignment' 16864 2 . . 2010-10-05 2010-04-15 update BMRB 'Update entry citation' 16864 1 . . 2010-06-15 2010-04-15 original author 'original release' 16864 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MA0 'BMRB Entry Tracking System' 16864 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16864 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20526700 _Citation.Full_citation . _Citation.Title 'Sequence specific 1H, 13C and 15N backbone resonance assignments of UVI31+ from Chlamydomonas reinhardtii.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 2 _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 171 _Citation.Page_last 174 _Citation.Year 2010 _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 Ashok Rout . K. . 16864 1 2 R. Minda . . . 16864 1 3 D. Peri . . . 16864 1 4 V. Ramakrishnan . . . 16864 1 5 S. Bhattacharjee . K. . 16864 1 6 B. Rao . J. . 16864 1 7 K. Chary . V.R. . 16864 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16864 _Assembly.ID 1 _Assembly.Name uvi31+ _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 uvi31+ 1 $uvi31+ A . yes native no no . . . 16864 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_uvi31+ _Entity.Sf_category entity _Entity.Sf_framecode uvi31+ _Entity.Entry_ID 16864 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name uvi31+ _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGSHVISSIAS MAEHQLGPIAGAIKSKVEAA LSPTHFKLINDSHKHAGHYA RDGSTASDAGETHFRLEVTS DAFKGLTLVKRHQLIYGLLS DEFKAGLHALSMTTKTPAEQ ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 BMRB 19307 . UVI31+Mg . . . . . 102.50 123 97.56 97.56 2.62e-76 . . . . 16864 1 2 no BMRB 19308 . Phophorylated_UVI31+ . . . . . 102.50 123 97.56 97.56 2.62e-76 . . . . 16864 1 3 no PDB 2MA0 . "Nmr Structural Of Uvi31+" . . . . . 102.50 123 97.56 97.56 2.62e-76 . . . . 16864 1 4 no GB EDO96758 . "predicted protein [Chlamydomonas reinhardtii]" . . . . . 83.33 100 100.00 100.00 2.78e-64 . . . . 16864 1 5 no REF XP_001702905 . "predicted protein [Chlamydomonas reinhardtii]" . . . . . 83.33 100 100.00 100.00 2.78e-64 . . . . 16864 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 16864 1 2 2 ARG . 16864 1 3 3 GLY . 16864 1 4 4 SER . 16864 1 5 5 HIS . 16864 1 6 6 HIS . 16864 1 7 7 HIS . 16864 1 8 8 HIS . 16864 1 9 9 HIS . 16864 1 10 10 HIS . 16864 1 11 11 GLY . 16864 1 12 12 SER . 16864 1 13 13 HIS . 16864 1 14 14 VAL . 16864 1 15 15 ILE . 16864 1 16 16 SER . 16864 1 17 17 SER . 16864 1 18 18 ILE . 16864 1 19 19 ALA . 16864 1 20 20 SER . 16864 1 21 24 MET . 16864 1 22 25 ALA . 16864 1 23 26 GLU . 16864 1 24 27 HIS . 16864 1 25 28 GLN . 16864 1 26 29 LEU . 16864 1 27 30 GLY . 16864 1 28 31 PRO . 16864 1 29 32 ILE . 16864 1 30 33 ALA . 16864 1 31 34 GLY . 16864 1 32 35 ALA . 16864 1 33 36 ILE . 16864 1 34 37 LYS . 16864 1 35 38 SER . 16864 1 36 39 LYS . 16864 1 37 40 VAL . 16864 1 38 41 GLU . 16864 1 39 42 ALA . 16864 1 40 43 ALA . 16864 1 41 44 LEU . 16864 1 42 45 SER . 16864 1 43 46 PRO . 16864 1 44 47 THR . 16864 1 45 48 HIS . 16864 1 46 49 PHE . 16864 1 47 50 LYS . 16864 1 48 51 LEU . 16864 1 49 52 ILE . 16864 1 50 53 ASN . 16864 1 51 54 ASP . 16864 1 52 55 SER . 16864 1 53 56 HIS . 16864 1 54 57 LYS . 16864 1 55 58 HIS . 16864 1 56 59 ALA . 16864 1 57 60 GLY . 16864 1 58 61 HIS . 16864 1 59 62 TYR . 16864 1 60 63 ALA . 16864 1 61 64 ARG . 16864 1 62 65 ASP . 16864 1 63 66 GLY . 16864 1 64 67 SER . 16864 1 65 68 THR . 16864 1 66 69 ALA . 16864 1 67 70 SER . 16864 1 68 71 ASP . 16864 1 69 72 ALA . 16864 1 70 73 GLY . 16864 1 71 74 GLU . 16864 1 72 75 THR . 16864 1 73 76 HIS . 16864 1 74 77 PHE . 16864 1 75 78 ARG . 16864 1 76 79 LEU . 16864 1 77 80 GLU . 16864 1 78 81 VAL . 16864 1 79 82 THR . 16864 1 80 83 SER . 16864 1 81 84 ASP . 16864 1 82 85 ALA . 16864 1 83 86 PHE . 16864 1 84 87 LYS . 16864 1 85 88 GLY . 16864 1 86 89 LEU . 16864 1 87 90 THR . 16864 1 88 91 LEU . 16864 1 89 92 VAL . 16864 1 90 93 LYS . 16864 1 91 94 ARG . 16864 1 92 95 HIS . 16864 1 93 96 GLN . 16864 1 94 97 LEU . 16864 1 95 98 ILE . 16864 1 96 99 TYR . 16864 1 97 100 GLY . 16864 1 98 101 LEU . 16864 1 99 102 LEU . 16864 1 100 103 SER . 16864 1 101 104 ASP . 16864 1 102 105 GLU . 16864 1 103 106 PHE . 16864 1 104 107 LYS . 16864 1 105 108 ALA . 16864 1 106 109 GLY . 16864 1 107 110 LEU . 16864 1 108 111 HIS . 16864 1 109 112 ALA . 16864 1 110 113 LEU . 16864 1 111 114 SER . 16864 1 112 115 MET . 16864 1 113 116 THR . 16864 1 114 117 THR . 16864 1 115 118 LYS . 16864 1 116 119 THR . 16864 1 117 120 PRO . 16864 1 118 121 ALA . 16864 1 119 122 GLU . 16864 1 120 123 GLN . 16864 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 16864 1 . ARG 2 2 16864 1 . GLY 3 3 16864 1 . SER 4 4 16864 1 . HIS 5 5 16864 1 . HIS 6 6 16864 1 . HIS 7 7 16864 1 . HIS 8 8 16864 1 . HIS 9 9 16864 1 . HIS 10 10 16864 1 . GLY 11 11 16864 1 . SER 12 12 16864 1 . HIS 13 13 16864 1 . VAL 14 14 16864 1 . ILE 15 15 16864 1 . SER 16 16 16864 1 . SER 17 17 16864 1 . ILE 18 18 16864 1 . ALA 19 19 16864 1 . SER 20 20 16864 1 . MET 21 21 16864 1 . ALA 22 22 16864 1 . GLU 23 23 16864 1 . HIS 24 24 16864 1 . GLN 25 25 16864 1 . LEU 26 26 16864 1 . GLY 27 27 16864 1 . PRO 28 28 16864 1 . ILE 29 29 16864 1 . ALA 30 30 16864 1 . GLY 31 31 16864 1 . ALA 32 32 16864 1 . ILE 33 33 16864 1 . LYS 34 34 16864 1 . SER 35 35 16864 1 . LYS 36 36 16864 1 . VAL 37 37 16864 1 . GLU 38 38 16864 1 . ALA 39 39 16864 1 . ALA 40 40 16864 1 . LEU 41 41 16864 1 . SER 42 42 16864 1 . PRO 43 43 16864 1 . THR 44 44 16864 1 . HIS 45 45 16864 1 . PHE 46 46 16864 1 . LYS 47 47 16864 1 . LEU 48 48 16864 1 . ILE 49 49 16864 1 . ASN 50 50 16864 1 . ASP 51 51 16864 1 . SER 52 52 16864 1 . HIS 53 53 16864 1 . LYS 54 54 16864 1 . HIS 55 55 16864 1 . ALA 56 56 16864 1 . GLY 57 57 16864 1 . HIS 58 58 16864 1 . TYR 59 59 16864 1 . ALA 60 60 16864 1 . ARG 61 61 16864 1 . ASP 62 62 16864 1 . GLY 63 63 16864 1 . SER 64 64 16864 1 . THR 65 65 16864 1 . ALA 66 66 16864 1 . SER 67 67 16864 1 . ASP 68 68 16864 1 . ALA 69 69 16864 1 . GLY 70 70 16864 1 . GLU 71 71 16864 1 . THR 72 72 16864 1 . HIS 73 73 16864 1 . PHE 74 74 16864 1 . ARG 75 75 16864 1 . LEU 76 76 16864 1 . GLU 77 77 16864 1 . VAL 78 78 16864 1 . THR 79 79 16864 1 . SER 80 80 16864 1 . ASP 81 81 16864 1 . ALA 82 82 16864 1 . PHE 83 83 16864 1 . LYS 84 84 16864 1 . GLY 85 85 16864 1 . LEU 86 86 16864 1 . THR 87 87 16864 1 . LEU 88 88 16864 1 . VAL 89 89 16864 1 . LYS 90 90 16864 1 . ARG 91 91 16864 1 . HIS 92 92 16864 1 . GLN 93 93 16864 1 . LEU 94 94 16864 1 . ILE 95 95 16864 1 . TYR 96 96 16864 1 . GLY 97 97 16864 1 . LEU 98 98 16864 1 . LEU 99 99 16864 1 . SER 100 100 16864 1 . ASP 101 101 16864 1 . GLU 102 102 16864 1 . PHE 103 103 16864 1 . LYS 104 104 16864 1 . ALA 105 105 16864 1 . GLY 106 106 16864 1 . LEU 107 107 16864 1 . HIS 108 108 16864 1 . ALA 109 109 16864 1 . LEU 110 110 16864 1 . SER 111 111 16864 1 . MET 112 112 16864 1 . THR 113 113 16864 1 . THR 114 114 16864 1 . LYS 115 115 16864 1 . THR 116 116 16864 1 . PRO 117 117 16864 1 . ALA 118 118 16864 1 . GLU 119 119 16864 1 . GLN 120 120 16864 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 16864 _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 $uvi31+ . 3055 organism . 'Chlamydomonas reinhardtii' 'green algae' . . Eukaryota Viridiplantae Chlamydomonas reinhardtii . . . . . . . . . . . . . . . . . . . . . 16864 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 16864 _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 $uvi31+ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pQE30-UA . . . . . . 16864 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16864 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 15N-uvi31+ _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 uvi31+ '[U-100% 15N]' . . 1 $uvi31+ . . 0.8 . . mM . . . . 16864 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16864 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16864 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16864 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 16864 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16864 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 13C,15N-uvi31+ _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 uvi31+ '[U-100% 13C; U-100% 15N]' . . 1 $uvi31+ . . 0.7 . . mM . . . . 16864 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16864 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16864 2 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16864 2 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 16864 2 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 16864 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 16864 1 pH 6.5 . pH 16864 1 pressure 1 . atm 16864 1 temperature 298 . K 16864 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16864 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16864 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16864 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16864 _Software.ID 2 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16864 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16864 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16864 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16864 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16864 3 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 16864 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16864 _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 . 800 . . . 16864 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 16864 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16864 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16864 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16864 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16864 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16864 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 16864 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16864 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16864 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16864 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 16864 _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 1 '2D 1H-15N HSQC' . . . 16864 1 2 '3D HNCO' . . . 16864 1 3 '3D HNCA' . . . 16864 1 4 '3D CBCA(CO)NH' . . . 16864 1 5 '3D HNCACB' . . . 16864 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 11 11 GLY H H 1 8.294 0.02 . . . . . . 11 GLY H . 16864 1 2 . 1 1 11 11 GLY HA2 H 1 3.860 0.02 . . . . . . 11 GLY HA2 . 16864 1 3 . 1 1 11 11 GLY C C 13 172.428 0.30 . . . . . . 11 GLY C . 16864 1 4 . 1 1 11 11 GLY CA C 13 44.440 0.30 . . . . . . 11 GLY CA . 16864 1 5 . 1 1 11 11 GLY N N 15 109.506 0.30 . . . . . . 11 GLY N . 16864 1 6 . 1 1 12 12 SER H H 1 8.192 0.02 . . . . . . 12 SER H . 16864 1 7 . 1 1 12 12 SER HA H 1 4.267 0.02 . . . . . . 12 SER HA . 16864 1 8 . 1 1 12 12 SER HB2 H 1 3.753 0.02 . . . . . . 12 SER HB2 . 16864 1 9 . 1 1 12 12 SER HB3 H 1 3.712 0.02 . . . . . . 12 SER HB3 . 16864 1 10 . 1 1 12 12 SER C C 13 172.364 0.30 . . . . . . 12 SER C . 16864 1 11 . 1 1 12 12 SER CA C 13 57.635 0.30 . . . . . . 12 SER CA . 16864 1 12 . 1 1 12 12 SER CB C 13 62.972 0.30 . . . . . . 12 SER CB . 16864 1 13 . 1 1 12 12 SER N N 15 115.631 0.30 . . . . . . 12 SER N . 16864 1 14 . 1 1 13 13 HIS H H 1 8.217 0.02 . . . . . . 13 HIS H . 16864 1 15 . 1 1 13 13 HIS HA H 1 4.248 0.02 . . . . . . 13 HIS HA . 16864 1 16 . 1 1 13 13 HIS HB2 H 1 3.194 0.02 . . . . . . 13 HIS HB2 . 16864 1 17 . 1 1 13 13 HIS HB3 H 1 3.159 0.02 . . . . . . 13 HIS HB3 . 16864 1 18 . 1 1 13 13 HIS C C 13 175.151 0.30 . . . . . . 13 HIS C . 16864 1 19 . 1 1 13 13 HIS CA C 13 55.771 0.30 . . . . . . 13 HIS CA . 16864 1 20 . 1 1 13 13 HIS CB C 13 29.936 0.30 . . . . . . 13 HIS CB . 16864 1 21 . 1 1 13 13 HIS N N 15 122.814 0.30 . . . . . . 13 HIS N . 16864 1 22 . 1 1 14 14 VAL H H 1 7.397 0.02 . . . . . . 14 VAL H . 16864 1 23 . 1 1 14 14 VAL HA H 1 4.217 0.02 . . . . . . 14 VAL HA . 16864 1 24 . 1 1 14 14 VAL HB H 1 2.282 0.02 . . . . . . 14 VAL HB . 16864 1 25 . 1 1 14 14 VAL C C 13 177.861 0.30 . . . . . . 14 VAL C . 16864 1 26 . 1 1 14 14 VAL CA C 13 61.924 0.30 . . . . . . 14 VAL CA . 16864 1 27 . 1 1 14 14 VAL CB C 13 29.530 0.30 . . . . . . 14 VAL CB . 16864 1 28 . 1 1 14 14 VAL N N 15 115.356 0.30 . . . . . . 14 VAL N . 16864 1 29 . 1 1 15 15 ILE H H 1 7.990 0.02 . . . . . . 15 ILE H . 16864 1 30 . 1 1 15 15 ILE HA H 1 4.063 0.02 . . . . . . 15 ILE HA . 16864 1 31 . 1 1 15 15 ILE HB H 1 1.776 0.02 . . . . . . 15 ILE HB . 16864 1 32 . 1 1 15 15 ILE HG12 H 1 1.057 0.02 . . . . . . 15 ILE HG12 . 16864 1 33 . 1 1 15 15 ILE HG13 H 1 1.017 0.02 . . . . . . 15 ILE HG13 . 16864 1 34 . 1 1 15 15 ILE HG21 H 1 0.762 0.02 . . . . . . 15 ILE HG2 . 16864 1 35 . 1 1 15 15 ILE HG22 H 1 0.762 0.02 . . . . . . 15 ILE HG2 . 16864 1 36 . 1 1 15 15 ILE HG23 H 1 0.762 0.02 . . . . . . 15 ILE HG2 . 16864 1 37 . 1 1 15 15 ILE C C 13 174.084 0.30 . . . . . . 15 ILE C . 16864 1 38 . 1 1 15 15 ILE CA C 13 61.626 0.30 . . . . . . 15 ILE CA . 16864 1 39 . 1 1 15 15 ILE CB C 13 31.928 0.30 . . . . . . 15 ILE CB . 16864 1 40 . 1 1 15 15 ILE CG1 C 13 27.560 0.30 . . . . . . 15 ILE CG1 . 16864 1 41 . 1 1 15 15 ILE N N 15 122.061 0.30 . . . . . . 15 ILE N . 16864 1 42 . 1 1 16 16 SER H H 1 8.204 0.02 . . . . . . 16 SER H . 16864 1 43 . 1 1 16 16 SER HA H 1 4.062 0.02 . . . . . . 16 SER HA . 16864 1 44 . 1 1 16 16 SER C C 13 174.303 0.30 . . . . . . 16 SER C . 16864 1 45 . 1 1 16 16 SER CA C 13 60.265 0.30 . . . . . . 16 SER CA . 16864 1 46 . 1 1 16 16 SER CB C 13 62.609 0.30 . . . . . . 16 SER CB . 16864 1 47 . 1 1 16 16 SER N N 15 125.503 0.30 . . . . . . 16 SER N . 16864 1 48 . 1 1 17 17 SER H H 1 8.294 0.02 . . . . . . 17 SER H . 16864 1 49 . 1 1 17 17 SER HA H 1 4.407 0.02 . . . . . . 17 SER HA . 16864 1 50 . 1 1 17 17 SER HB2 H 1 3.728 0.02 . . . . . . 17 SER HB2 . 16864 1 51 . 1 1 17 17 SER HB3 H 1 3.709 0.02 . . . . . . 17 SER HB3 . 16864 1 52 . 1 1 17 17 SER C C 13 172.745 0.30 . . . . . . 17 SER C . 16864 1 53 . 1 1 17 17 SER CA C 13 57.431 0.30 . . . . . . 17 SER CA . 16864 1 54 . 1 1 17 17 SER CB C 13 63.156 0.30 . . . . . . 17 SER CB . 16864 1 55 . 1 1 17 17 SER N N 15 120.307 0.30 . . . . . . 17 SER N . 16864 1 56 . 1 1 18 18 ILE H H 1 8.001 0.02 . . . . . . 18 ILE H . 16864 1 57 . 1 1 18 18 ILE HA H 1 3.952 0.02 . . . . . . 18 ILE HA . 16864 1 58 . 1 1 18 18 ILE HB H 1 1.820 0.02 . . . . . . 18 ILE HB . 16864 1 59 . 1 1 18 18 ILE C C 13 174.446 0.30 . . . . . . 18 ILE C . 16864 1 60 . 1 1 18 18 ILE CA C 13 60.815 0.30 . . . . . . 18 ILE CA . 16864 1 61 . 1 1 18 18 ILE CB C 13 37.748 0.30 . . . . . . 18 ILE CB . 16864 1 62 . 1 1 18 18 ILE N N 15 121.910 0.30 . . . . . . 18 ILE N . 16864 1 63 . 1 1 19 19 ALA H H 1 8.154 0.02 . . . . . . 19 ALA H . 16864 1 64 . 1 1 19 19 ALA HA H 1 4.214 0.02 . . . . . . 19 ALA HA . 16864 1 65 . 1 1 19 19 ALA HB1 H 1 1.270 0.02 . . . . . . 19 ALA HB . 16864 1 66 . 1 1 19 19 ALA HB2 H 1 1.270 0.02 . . . . . . 19 ALA HB . 16864 1 67 . 1 1 19 19 ALA HB3 H 1 1.270 0.02 . . . . . . 19 ALA HB . 16864 1 68 . 1 1 19 19 ALA C C 13 176.030 0.30 . . . . . . 19 ALA C . 16864 1 69 . 1 1 19 19 ALA CA C 13 51.951 0.30 . . . . . . 19 ALA CA . 16864 1 70 . 1 1 19 19 ALA CB C 13 18.363 0.30 . . . . . . 19 ALA CB . 16864 1 71 . 1 1 19 19 ALA N N 15 127.204 0.30 . . . . . . 19 ALA N . 16864 1 72 . 1 1 20 20 SER H H 1 8.085 0.02 . . . . . . 20 SER H . 16864 1 73 . 1 1 20 20 SER HA H 1 4.278 0.02 . . . . . . 20 SER HA . 16864 1 74 . 1 1 20 20 SER HB2 H 1 3.759 0.02 . . . . . . 20 SER HB2 . 16864 1 75 . 1 1 20 20 SER C C 13 173.036 0.30 . . . . . . 20 SER C . 16864 1 76 . 1 1 20 20 SER CA C 13 57.638 0.30 . . . . . . 20 SER CA . 16864 1 77 . 1 1 20 20 SER CB C 13 62.932 0.30 . . . . . . 20 SER CB . 16864 1 78 . 1 1 20 20 SER N N 15 114.829 0.30 . . . . . . 20 SER N . 16864 1 79 . 1 1 21 21 MET H H 1 8.311 0.02 . . . . . . 24 MET H . 16864 1 80 . 1 1 21 21 MET HA H 1 4.320 0.02 . . . . . . 24 MET HA . 16864 1 81 . 1 1 21 21 MET HB2 H 1 1.938 0.02 . . . . . . 24 MET HB2 . 16864 1 82 . 1 1 21 21 MET HB3 H 1 1.891 0.02 . . . . . . 24 MET HB3 . 16864 1 83 . 1 1 21 21 MET HG2 H 1 2.481 0.02 . . . . . . 24 MET HG2 . 16864 1 84 . 1 1 21 21 MET HG3 H 1 2.441 0.02 . . . . . . 24 MET HG3 . 16864 1 85 . 1 1 21 21 MET C C 13 174.376 0.30 . . . . . . 24 MET C . 16864 1 86 . 1 1 21 21 MET CA C 13 54.802 0.30 . . . . . . 24 MET CA . 16864 1 87 . 1 1 21 21 MET CB C 13 31.920 0.30 . . . . . . 24 MET CB . 16864 1 88 . 1 1 21 21 MET CG C 13 30.680 0.30 . . . . . . 24 MET CG . 16864 1 89 . 1 1 21 21 MET N N 15 121.984 0.30 . . . . . . 24 MET N . 16864 1 90 . 1 1 22 22 ALA H H 1 8.094 0.02 . . . . . . 25 ALA H . 16864 1 91 . 1 1 22 22 ALA HA H 1 4.163 0.02 . . . . . . 25 ALA HA . 16864 1 92 . 1 1 22 22 ALA HB1 H 1 1.266 0.02 . . . . . . 25 ALA HB . 16864 1 93 . 1 1 22 22 ALA HB2 H 1 1.266 0.02 . . . . . . 25 ALA HB . 16864 1 94 . 1 1 22 22 ALA HB3 H 1 1.266 0.02 . . . . . . 25 ALA HB . 16864 1 95 . 1 1 22 22 ALA C C 13 176.031 0.30 . . . . . . 25 ALA C . 16864 1 96 . 1 1 22 22 ALA CA C 13 51.952 0.30 . . . . . . 25 ALA CA . 16864 1 97 . 1 1 22 22 ALA CB C 13 18.383 0.30 . . . . . . 25 ALA CB . 16864 1 98 . 1 1 22 22 ALA N N 15 124.508 0.30 . . . . . . 25 ALA N . 16864 1 99 . 1 1 23 23 GLU H H 1 8.192 0.02 . . . . . . 26 GLU H . 16864 1 100 . 1 1 23 23 GLU HA H 1 4.066 0.02 . . . . . . 26 GLU HA . 16864 1 101 . 1 1 23 23 GLU HB2 H 1 1.824 0.02 . . . . . . 26 GLU HB2 . 16864 1 102 . 1 1 23 23 GLU HG2 H 1 2.081 0.02 . . . . . . 26 GLU HG2 . 16864 1 103 . 1 1 23 23 GLU C C 13 174.600 0.30 . . . . . . 26 GLU C . 16864 1 104 . 1 1 23 23 GLU CA C 13 56.108 0.30 . . . . . . 26 GLU CA . 16864 1 105 . 1 1 23 23 GLU CB C 13 29.485 0.30 . . . . . . 26 GLU CB . 16864 1 106 . 1 1 23 23 GLU CG C 13 35.420 0.30 . . . . . . 26 GLU CG . 16864 1 107 . 1 1 23 23 GLU N N 15 119.437 0.30 . . . . . . 26 GLU N . 16864 1 108 . 1 1 24 24 HIS H H 1 8.217 0.02 . . . . . . 27 HIS H . 16864 1 109 . 1 1 24 24 HIS HA H 1 4.673 0.02 . . . . . . 27 HIS HA . 16864 1 110 . 1 1 24 24 HIS HB2 H 1 3.093 0.02 . . . . . . 27 HIS HB2 . 16864 1 111 . 1 1 24 24 HIS HB3 H 1 3.050 0.02 . . . . . . 27 HIS HB3 . 16864 1 112 . 1 1 24 24 HIS C C 13 173.215 0.30 . . . . . . 27 HIS C . 16864 1 113 . 1 1 24 24 HIS CA C 13 55.132 0.30 . . . . . . 27 HIS CA . 16864 1 114 . 1 1 24 24 HIS CB C 13 29.727 0.30 . . . . . . 27 HIS CB . 16864 1 115 . 1 1 24 24 HIS N N 15 118.757 0.30 . . . . . . 27 HIS N . 16864 1 116 . 1 1 25 25 GLN H H 1 8.221 0.02 . . . . . . 28 GLN H . 16864 1 117 . 1 1 25 25 GLN HA H 1 4.213 0.02 . . . . . . 28 GLN HA . 16864 1 118 . 1 1 25 25 GLN HB2 H 1 1.927 0.02 . . . . . . 28 GLN HB2 . 16864 1 119 . 1 1 25 25 GLN HG2 H 1 2.235 0.02 . . . . . . 28 GLN HG2 . 16864 1 120 . 1 1 25 25 GLN HE21 H 1 7.362 0.02 . . . . . . 28 GLN HE21 . 16864 1 121 . 1 1 25 25 GLN HE22 H 1 6.600 0.02 . . . . . . 28 GLN HE22 . 16864 1 122 . 1 1 25 25 GLN C C 13 173.695 0.30 . . . . . . 28 GLN C . 16864 1 123 . 1 1 25 25 GLN CA C 13 54.847 0.30 . . . . . . 28 GLN CA . 16864 1 124 . 1 1 25 25 GLN CB C 13 28.568 0.30 . . . . . . 28 GLN CB . 16864 1 125 . 1 1 25 25 GLN CG C 13 34.120 0.30 . . . . . . 28 GLN CG . 16864 1 126 . 1 1 25 25 GLN N N 15 121.361 0.30 . . . . . . 28 GLN N . 16864 1 127 . 1 1 25 25 GLN NE2 N 15 112.393 0.30 . . . . . . 28 GLN NE2 . 16864 1 128 . 1 1 26 26 LEU H H 1 8.295 0.02 . . . . . . 29 LEU H . 16864 1 129 . 1 1 26 26 LEU HA H 1 4.319 0.02 . . . . . . 29 LEU HA . 16864 1 130 . 1 1 26 26 LEU HB2 H 1 1.624 0.02 . . . . . . 29 LEU HB2 . 16864 1 131 . 1 1 26 26 LEU HG H 1 1.422 0.02 . . . . . . 29 LEU HG . 16864 1 132 . 1 1 26 26 LEU C C 13 175.721 0.30 . . . . . . 29 LEU C . 16864 1 133 . 1 1 26 26 LEU CA C 13 54.139 0.30 . . . . . . 29 LEU CA . 16864 1 134 . 1 1 26 26 LEU CB C 13 41.920 0.30 . . . . . . 29 LEU CB . 16864 1 135 . 1 1 26 26 LEU CG C 13 26.590 0.30 . . . . . . 29 LEU CG . 16864 1 136 . 1 1 26 26 LEU N N 15 123.929 0.30 . . . . . . 29 LEU N . 16864 1 137 . 1 1 27 27 GLY H H 1 8.459 0.02 . . . . . . 30 GLY H . 16864 1 138 . 1 1 27 27 GLY HA2 H 1 3.859 0.02 . . . . . . 30 GLY HA2 . 16864 1 139 . 1 1 27 27 GLY C C 13 170.252 0.30 . . . . . . 30 GLY C . 16864 1 140 . 1 1 27 27 GLY CA C 13 43.977 0.30 . . . . . . 30 GLY CA . 16864 1 141 . 1 1 27 27 GLY N N 15 110.447 0.30 . . . . . . 30 GLY N . 16864 1 142 . 1 1 28 28 PRO C C 13 179.073 0.30 . . . . . . 31 PRO C . 16864 1 143 . 1 1 28 28 PRO CA C 13 64.154 0.30 . . . . . . 31 PRO CA . 16864 1 144 . 1 1 28 28 PRO CB C 13 31.191 0.30 . . . . . . 31 PRO CB . 16864 1 145 . 1 1 29 29 ILE H H 1 10.226 0.02 . . . . . . 32 ILE H . 16864 1 146 . 1 1 29 29 ILE HA H 1 4.507 0.02 . . . . . . 32 ILE HA . 16864 1 147 . 1 1 29 29 ILE HB H 1 1.447 0.02 . . . . . . 32 ILE HB . 16864 1 148 . 1 1 29 29 ILE HG12 H 1 1.160 0.02 . . . . . . 32 ILE HG12 . 16864 1 149 . 1 1 29 29 ILE C C 13 176.719 0.30 . . . . . . 32 ILE C . 16864 1 150 . 1 1 29 29 ILE CA C 13 63.444 0.30 . . . . . . 32 ILE CA . 16864 1 151 . 1 1 29 29 ILE CB C 13 34.833 0.30 . . . . . . 32 ILE CB . 16864 1 152 . 1 1 29 29 ILE CG1 C 13 27.460 0.30 . . . . . . 32 ILE CG1 . 16864 1 153 . 1 1 29 29 ILE CG2 C 13 19.850 0.30 . . . . . . 32 ILE CG2 . 16864 1 154 . 1 1 29 29 ILE N N 15 124.391 0.30 . . . . . . 32 ILE N . 16864 1 155 . 1 1 30 30 ALA H H 1 9.220 0.02 . . . . . . 33 ALA H . 16864 1 156 . 1 1 30 30 ALA HA H 1 4.493 0.02 . . . . . . 33 ALA HA . 16864 1 157 . 1 1 30 30 ALA HB1 H 1 1.447 0.02 . . . . . . 33 ALA HB . 16864 1 158 . 1 1 30 30 ALA HB2 H 1 1.447 0.02 . . . . . . 33 ALA HB . 16864 1 159 . 1 1 30 30 ALA HB3 H 1 1.447 0.02 . . . . . . 33 ALA HB . 16864 1 160 . 1 1 30 30 ALA C C 13 178.057 0.30 . . . . . . 33 ALA C . 16864 1 161 . 1 1 30 30 ALA CA C 13 54.352 0.30 . . . . . . 33 ALA CA . 16864 1 162 . 1 1 30 30 ALA CB C 13 18.850 0.30 . . . . . . 33 ALA CB . 16864 1 163 . 1 1 30 30 ALA N N 15 124.558 0.30 . . . . . . 33 ALA N . 16864 1 164 . 1 1 31 31 GLY H H 1 8.547 0.02 . . . . . . 34 GLY H . 16864 1 165 . 1 1 31 31 GLY HA2 H 1 4.067 0.02 . . . . . . 34 GLY HA2 . 16864 1 166 . 1 1 31 31 GLY C C 13 174.460 0.30 . . . . . . 34 GLY C . 16864 1 167 . 1 1 31 31 GLY CA C 13 45.838 0.30 . . . . . . 34 GLY CA . 16864 1 168 . 1 1 31 31 GLY N N 15 132.296 0.30 . . . . . . 34 GLY N . 16864 1 169 . 1 1 32 32 ALA H H 1 7.276 0.02 . . . . . . 35 ALA H . 16864 1 170 . 1 1 32 32 ALA HA H 1 4.062 0.02 . . . . . . 35 ALA HA . 16864 1 171 . 1 1 32 32 ALA HB1 H 1 1.372 0.02 . . . . . . 35 ALA HB . 16864 1 172 . 1 1 32 32 ALA HB2 H 1 1.372 0.02 . . . . . . 35 ALA HB . 16864 1 173 . 1 1 32 32 ALA HB3 H 1 1.372 0.02 . . . . . . 35 ALA HB . 16864 1 174 . 1 1 32 32 ALA C C 13 177.280 0.30 . . . . . . 35 ALA C . 16864 1 175 . 1 1 32 32 ALA CA C 13 54.032 0.30 . . . . . . 35 ALA CA . 16864 1 176 . 1 1 32 32 ALA CB C 13 18.142 0.30 . . . . . . 35 ALA CB . 16864 1 177 . 1 1 32 32 ALA N N 15 126.264 0.30 . . . . . . 35 ALA N . 16864 1 178 . 1 1 33 33 ILE H H 1 8.293 0.02 . . . . . . 36 ILE H . 16864 1 179 . 1 1 33 33 ILE HA H 1 4.182 0.02 . . . . . . 36 ILE HA . 16864 1 180 . 1 1 33 33 ILE HB H 1 1.830 0.02 . . . . . . 36 ILE HB . 16864 1 181 . 1 1 33 33 ILE HG12 H 1 1.190 0.02 . . . . . . 36 ILE HG12 . 16864 1 182 . 1 1 33 33 ILE C C 13 175.551 0.30 . . . . . . 36 ILE C . 16864 1 183 . 1 1 33 33 ILE CA C 13 65.081 0.30 . . . . . . 36 ILE CA . 16864 1 184 . 1 1 33 33 ILE CB C 13 36.761 0.30 . . . . . . 36 ILE CB . 16864 1 185 . 1 1 33 33 ILE CG1 C 13 27.680 0.30 . . . . . . 36 ILE CG1 . 16864 1 186 . 1 1 33 33 ILE N N 15 117.177 0.30 . . . . . . 36 ILE N . 16864 1 187 . 1 1 34 34 LYS H H 1 7.782 0.02 . . . . . . 37 LYS H . 16864 1 188 . 1 1 34 34 LYS HA H 1 3.887 0.02 . . . . . . 37 LYS HA . 16864 1 189 . 1 1 34 34 LYS HB2 H 1 1.790 0.02 . . . . . . 37 LYS HB2 . 16864 1 190 . 1 1 34 34 LYS HG2 H 1 1.380 0.02 . . . . . . 37 LYS HG2 . 16864 1 191 . 1 1 34 34 LYS HD2 H 1 1.680 0.02 . . . . . . 37 LYS HD2 . 16864 1 192 . 1 1 34 34 LYS HE2 H 1 2.630 0.02 . . . . . . 37 LYS HE2 . 16864 1 193 . 1 1 34 34 LYS C C 13 175.620 0.30 . . . . . . 37 LYS C . 16864 1 194 . 1 1 34 34 LYS CA C 13 59.168 0.30 . . . . . . 37 LYS CA . 16864 1 195 . 1 1 34 34 LYS CB C 13 32.202 0.30 . . . . . . 37 LYS CB . 16864 1 196 . 1 1 34 34 LYS CG C 13 24.560 0.30 . . . . . . 37 LYS CG . 16864 1 197 . 1 1 34 34 LYS CD C 13 28.690 0.30 . . . . . . 37 LYS CD . 16864 1 198 . 1 1 34 34 LYS CE C 13 42.130 0.30 . . . . . . 37 LYS CE . 16864 1 199 . 1 1 34 34 LYS N N 15 116.625 0.30 . . . . . . 37 LYS N . 16864 1 200 . 1 1 35 35 SER H H 1 7.912 0.02 . . . . . . 38 SER H . 16864 1 201 . 1 1 35 35 SER HA H 1 4.312 0.02 . . . . . . 38 SER HA . 16864 1 202 . 1 1 35 35 SER HB2 H 1 3.961 0.02 . . . . . . 38 SER HB2 . 16864 1 203 . 1 1 35 35 SER HB3 H 1 3.711 0.02 . . . . . . 38 SER HB3 . 16864 1 204 . 1 1 35 35 SER HG H 1 5.120 0.02 . . . . . . 38 SER HG . 16864 1 205 . 1 1 35 35 SER C C 13 175.560 0.30 . . . . . . 38 SER C . 16864 1 206 . 1 1 35 35 SER CA C 13 60.707 0.30 . . . . . . 38 SER CA . 16864 1 207 . 1 1 35 35 SER CB C 13 62.134 0.30 . . . . . . 38 SER CB . 16864 1 208 . 1 1 35 35 SER N N 15 111.792 0.30 . . . . . . 38 SER N . 16864 1 209 . 1 1 36 36 LYS H H 1 8.482 0.02 . . . . . . 39 LYS H . 16864 1 210 . 1 1 36 36 LYS HA H 1 4.444 0.02 . . . . . . 39 LYS HA . 16864 1 211 . 1 1 36 36 LYS HB2 H 1 1.873 0.02 . . . . . . 39 LYS HB2 . 16864 1 212 . 1 1 36 36 LYS HG2 H 1 1.360 0.02 . . . . . . 39 LYS HG2 . 16864 1 213 . 1 1 36 36 LYS HD2 H 1 1.580 0.02 . . . . . . 39 LYS HD2 . 16864 1 214 . 1 1 36 36 LYS HE2 H 1 2.118 0.02 . . . . . . 39 LYS HE2 . 16864 1 215 . 1 1 36 36 LYS C C 13 178.379 0.30 . . . . . . 39 LYS C . 16864 1 216 . 1 1 36 36 LYS CA C 13 59.391 0.30 . . . . . . 39 LYS CA . 16864 1 217 . 1 1 36 36 LYS CB C 13 32.195 0.30 . . . . . . 39 LYS CB . 16864 1 218 . 1 1 36 36 LYS N N 15 120.813 0.30 . . . . . . 39 LYS N . 16864 1 219 . 1 1 37 37 VAL H H 1 8.355 0.02 . . . . . . 40 VAL H . 16864 1 220 . 1 1 37 37 VAL HA H 1 3.346 0.02 . . . . . . 40 VAL HA . 16864 1 221 . 1 1 37 37 VAL HG11 H 1 0.890 0.02 . . . . . . 40 VAL HG1 . 16864 1 222 . 1 1 37 37 VAL HG12 H 1 0.890 0.02 . . . . . . 40 VAL HG1 . 16864 1 223 . 1 1 37 37 VAL HG13 H 1 0.890 0.02 . . . . . . 40 VAL HG1 . 16864 1 224 . 1 1 37 37 VAL HG21 H 1 0.810 0.02 . . . . . . 40 VAL HG2 . 16864 1 225 . 1 1 37 37 VAL HG22 H 1 0.810 0.02 . . . . . . 40 VAL HG2 . 16864 1 226 . 1 1 37 37 VAL HG23 H 1 0.810 0.02 . . . . . . 40 VAL HG2 . 16864 1 227 . 1 1 37 37 VAL C C 13 178.515 0.30 . . . . . . 40 VAL C . 16864 1 228 . 1 1 37 37 VAL CA C 13 66.164 0.30 . . . . . . 40 VAL CA . 16864 1 229 . 1 1 37 37 VAL CB C 13 30.232 0.30 . . . . . . 40 VAL CB . 16864 1 230 . 1 1 37 37 VAL CG1 C 13 22.580 0.30 . . . . . . 40 VAL CG1 . 16864 1 231 . 1 1 37 37 VAL CG2 C 13 22.460 0.30 . . . . . . 40 VAL CG2 . 16864 1 232 . 1 1 37 37 VAL N N 15 118.990 0.30 . . . . . . 40 VAL N . 16864 1 233 . 1 1 38 38 GLU H H 1 8.228 0.02 . . . . . . 41 GLU H . 16864 1 234 . 1 1 38 38 GLU HA H 1 4.395 0.02 . . . . . . 41 GLU HA . 16864 1 235 . 1 1 38 38 GLU HB2 H 1 1.980 0.02 . . . . . . 41 GLU HB2 . 16864 1 236 . 1 1 38 38 GLU HG2 H 1 3.740 0.02 . . . . . . 41 GLU HG2 . 16864 1 237 . 1 1 38 38 GLU C C 13 177.456 0.30 . . . . . . 41 GLU C . 16864 1 238 . 1 1 38 38 GLU CA C 13 59.393 0.30 . . . . . . 41 GLU CA . 16864 1 239 . 1 1 38 38 GLU CB C 13 28.058 0.30 . . . . . . 41 GLU CB . 16864 1 240 . 1 1 38 38 GLU CG C 13 34.560 0.30 . . . . . . 41 GLU CG . 16864 1 241 . 1 1 38 38 GLU N N 15 118.619 0.30 . . . . . . 41 GLU N . 16864 1 242 . 1 1 39 39 ALA H H 1 7.496 0.02 . . . . . . 42 ALA H . 16864 1 243 . 1 1 39 39 ALA HA H 1 3.962 0.02 . . . . . . 42 ALA HA . 16864 1 244 . 1 1 39 39 ALA HB1 H 1 1.367 0.02 . . . . . . 42 ALA HB . 16864 1 245 . 1 1 39 39 ALA HB2 H 1 1.367 0.02 . . . . . . 42 ALA HB . 16864 1 246 . 1 1 39 39 ALA HB3 H 1 1.367 0.02 . . . . . . 42 ALA HB . 16864 1 247 . 1 1 39 39 ALA C C 13 177.523 0.30 . . . . . . 42 ALA C . 16864 1 248 . 1 1 39 39 ALA CA C 13 53.723 0.30 . . . . . . 42 ALA CA . 16864 1 249 . 1 1 39 39 ALA CB C 13 17.882 0.30 . . . . . . 42 ALA CB . 16864 1 250 . 1 1 39 39 ALA N N 15 118.753 0.30 . . . . . . 42 ALA N . 16864 1 251 . 1 1 40 40 ALA H H 1 7.392 0.02 . . . . . . 43 ALA H . 16864 1 252 . 1 1 40 40 ALA HA H 1 4.214 0.02 . . . . . . 43 ALA HA . 16864 1 253 . 1 1 40 40 ALA HB1 H 1 1.369 0.02 . . . . . . 43 ALA HB . 16864 1 254 . 1 1 40 40 ALA HB2 H 1 1.369 0.02 . . . . . . 43 ALA HB . 16864 1 255 . 1 1 40 40 ALA HB3 H 1 1.369 0.02 . . . . . . 43 ALA HB . 16864 1 256 . 1 1 40 40 ALA C C 13 177.831 0.30 . . . . . . 43 ALA C . 16864 1 257 . 1 1 40 40 ALA CA C 13 53.167 0.30 . . . . . . 43 ALA CA . 16864 1 258 . 1 1 40 40 ALA CB C 13 20.067 0.30 . . . . . . 43 ALA CB . 16864 1 259 . 1 1 40 40 ALA N N 15 115.507 0.30 . . . . . . 43 ALA N . 16864 1 260 . 1 1 41 41 LEU H H 1 7.924 0.02 . . . . . . 44 LEU H . 16864 1 261 . 1 1 41 41 LEU HA H 1 4.315 0.02 . . . . . . 44 LEU HA . 16864 1 262 . 1 1 41 41 LEU HB2 H 1 1.569 0.02 . . . . . . 44 LEU HB2 . 16864 1 263 . 1 1 41 41 LEU HG H 1 1.480 0.02 . . . . . . 44 LEU HG . 16864 1 264 . 1 1 41 41 LEU HD11 H 1 0.568 0.02 . . . . . . 44 LEU HD1 . 16864 1 265 . 1 1 41 41 LEU HD12 H 1 0.568 0.02 . . . . . . 44 LEU HD1 . 16864 1 266 . 1 1 41 41 LEU HD13 H 1 0.568 0.02 . . . . . . 44 LEU HD1 . 16864 1 267 . 1 1 41 41 LEU C C 13 175.011 0.30 . . . . . . 44 LEU C . 16864 1 268 . 1 1 41 41 LEU CA C 13 53.177 0.30 . . . . . . 44 LEU CA . 16864 1 269 . 1 1 41 41 LEU CB C 13 41.378 0.30 . . . . . . 44 LEU CB . 16864 1 270 . 1 1 41 41 LEU CG C 13 27.180 0.30 . . . . . . 44 LEU CG . 16864 1 271 . 1 1 41 41 LEU CD1 C 13 24.890 0.30 . . . . . . 44 LEU CD1 . 16864 1 272 . 1 1 41 41 LEU CD2 C 13 24.750 0.30 . . . . . . 44 LEU CD2 . 16864 1 273 . 1 1 41 41 LEU N N 15 112.111 0.30 . . . . . . 44 LEU N . 16864 1 274 . 1 1 42 42 SER H H 1 7.608 0.02 . . . . . . 45 SER H . 16864 1 275 . 1 1 42 42 SER HA H 1 4.116 0.02 . . . . . . 45 SER HA . 16864 1 276 . 1 1 42 42 SER HB2 H 1 3.656 0.02 . . . . . . 45 SER HB2 . 16864 1 277 . 1 1 42 42 SER HG H 1 5.340 0.02 . . . . . . 45 SER HG . 16864 1 278 . 1 1 42 42 SER C C 13 174.944 0.30 . . . . . . 45 SER C . 16864 1 279 . 1 1 42 42 SER CA C 13 57.108 0.30 . . . . . . 45 SER CA . 16864 1 280 . 1 1 42 42 SER CB C 13 61.710 0.30 . . . . . . 45 SER CB . 16864 1 281 . 1 1 42 42 SER N N 15 113.666 0.30 . . . . . . 45 SER N . 16864 1 282 . 1 1 43 43 PRO C C 13 175.933 0.30 . . . . . . 46 PRO C . 16864 1 283 . 1 1 43 43 PRO CA C 13 62.192 0.30 . . . . . . 46 PRO CA . 16864 1 284 . 1 1 43 43 PRO CB C 13 32.682 0.30 . . . . . . 46 PRO CB . 16864 1 285 . 1 1 44 44 THR H H 1 8.292 0.02 . . . . . . 47 THR H . 16864 1 286 . 1 1 44 44 THR HA H 1 4.266 0.02 . . . . . . 47 THR HA . 16864 1 287 . 1 1 44 44 THR HB H 1 4.203 0.02 . . . . . . 47 THR HB . 16864 1 288 . 1 1 44 44 THR HG1 H 1 5.197 0.02 . . . . . . 47 THR HG1 . 16864 1 289 . 1 1 44 44 THR HG21 H 1 1.021 0.02 . . . . . . 47 THR HG2 . 16864 1 290 . 1 1 44 44 THR HG22 H 1 1.021 0.02 . . . . . . 47 THR HG2 . 16864 1 291 . 1 1 44 44 THR HG23 H 1 1.021 0.02 . . . . . . 47 THR HG2 . 16864 1 292 . 1 1 44 44 THR C C 13 173.363 0.30 . . . . . . 47 THR C . 16864 1 293 . 1 1 44 44 THR CA C 13 61.907 0.30 . . . . . . 47 THR CA . 16864 1 294 . 1 1 44 44 THR CB C 13 67.478 0.30 . . . . . . 47 THR CB . 16864 1 295 . 1 1 44 44 THR CG2 C 13 21.360 0.30 . . . . . . 47 THR CG2 . 16864 1 296 . 1 1 44 44 THR N N 15 111.474 0.30 . . . . . . 47 THR N . 16864 1 297 . 1 1 45 45 HIS H H 1 7.213 0.02 . . . . . . 48 HIS H . 16864 1 298 . 1 1 45 45 HIS HA H 1 4.706 0.02 . . . . . . 48 HIS HA . 16864 1 299 . 1 1 45 45 HIS HB2 H 1 3.314 0.02 . . . . . . 48 HIS HB2 . 16864 1 300 . 1 1 45 45 HIS C C 13 170.870 0.30 . . . . . . 48 HIS C . 16864 1 301 . 1 1 45 45 HIS CA C 13 56.005 0.30 . . . . . . 48 HIS CA . 16864 1 302 . 1 1 45 45 HIS CB C 13 32.665 0.30 . . . . . . 48 HIS CB . 16864 1 303 . 1 1 45 45 HIS N N 15 119.658 0.30 . . . . . . 48 HIS N . 16864 1 304 . 1 1 46 46 PHE H H 1 7.961 0.02 . . . . . . 49 PHE H . 16864 1 305 . 1 1 46 46 PHE HA H 1 4.675 0.02 . . . . . . 49 PHE HA . 16864 1 306 . 1 1 46 46 PHE HB2 H 1 3.215 0.02 . . . . . . 49 PHE HB2 . 16864 1 307 . 1 1 46 46 PHE HB3 H 1 2.741 0.02 . . . . . . 49 PHE HB3 . 16864 1 308 . 1 1 46 46 PHE C C 13 170.977 0.30 . . . . . . 49 PHE C . 16864 1 309 . 1 1 46 46 PHE CA C 13 55.890 0.30 . . . . . . 49 PHE CA . 16864 1 310 . 1 1 46 46 PHE CB C 13 41.849 0.30 . . . . . . 49 PHE CB . 16864 1 311 . 1 1 46 46 PHE N N 15 127.497 0.30 . . . . . . 49 PHE N . 16864 1 312 . 1 1 47 47 LYS H H 1 8.076 0.02 . . . . . . 50 LYS H . 16864 1 313 . 1 1 47 47 LYS HA H 1 4.034 0.02 . . . . . . 50 LYS HA . 16864 1 314 . 1 1 47 47 LYS HB2 H 1 1.820 0.02 . . . . . . 50 LYS HB2 . 16864 1 315 . 1 1 47 47 LYS HG2 H 1 1.390 0.02 . . . . . . 50 LYS HG2 . 16864 1 316 . 1 1 47 47 LYS HE2 H 1 3.096 0.02 . . . . . . 50 LYS HE2 . 16864 1 317 . 1 1 47 47 LYS C C 13 170.398 0.30 . . . . . . 50 LYS C . 16864 1 318 . 1 1 47 47 LYS CA C 13 55.008 0.30 . . . . . . 50 LYS CA . 16864 1 319 . 1 1 47 47 LYS CB C 13 36.023 0.30 . . . . . . 50 LYS CB . 16864 1 320 . 1 1 47 47 LYS CG C 13 24.890 0.30 . . . . . . 50 LYS CG . 16864 1 321 . 1 1 47 47 LYS CD C 13 28.630 0.30 . . . . . . 50 LYS CD . 16864 1 322 . 1 1 47 47 LYS N N 15 128.814 0.30 . . . . . . 50 LYS N . 16864 1 323 . 1 1 48 48 LEU H H 1 8.471 0.02 . . . . . . 51 LEU H . 16864 1 324 . 1 1 48 48 LEU HA H 1 4.411 0.02 . . . . . . 51 LEU HA . 16864 1 325 . 1 1 48 48 LEU HB2 H 1 1.750 0.02 . . . . . . 51 LEU HB2 . 16864 1 326 . 1 1 48 48 LEU HG H 1 1.530 0.02 . . . . . . 51 LEU HG . 16864 1 327 . 1 1 48 48 LEU HD11 H 1 0.780 0.02 . . . . . . 51 LEU HD1 . 16864 1 328 . 1 1 48 48 LEU HD12 H 1 0.780 0.02 . . . . . . 51 LEU HD1 . 16864 1 329 . 1 1 48 48 LEU HD13 H 1 0.780 0.02 . . . . . . 51 LEU HD1 . 16864 1 330 . 1 1 48 48 LEU C C 13 173.441 0.30 . . . . . . 51 LEU C . 16864 1 331 . 1 1 48 48 LEU CA C 13 52.706 0.30 . . . . . . 51 LEU CA . 16864 1 332 . 1 1 48 48 LEU CB C 13 44.771 0.30 . . . . . . 51 LEU CB . 16864 1 333 . 1 1 48 48 LEU CG C 13 26.930 0.30 . . . . . . 51 LEU CG . 16864 1 334 . 1 1 48 48 LEU CD1 C 13 24.570 0.30 . . . . . . 51 LEU CD1 . 16864 1 335 . 1 1 48 48 LEU N N 15 128.438 0.30 . . . . . . 51 LEU N . 16864 1 336 . 1 1 49 49 ILE H H 1 9.159 0.02 . . . . . . 52 ILE H . 16864 1 337 . 1 1 49 49 ILE HA H 1 4.264 0.02 . . . . . . 52 ILE HA . 16864 1 338 . 1 1 49 49 ILE HB H 1 1.860 0.02 . . . . . . 52 ILE HB . 16864 1 339 . 1 1 49 49 ILE HG12 H 1 1.210 0.02 . . . . . . 52 ILE HG12 . 16864 1 340 . 1 1 49 49 ILE HD11 H 1 0.808 0.02 . . . . . . 52 ILE HD1 . 16864 1 341 . 1 1 49 49 ILE HD12 H 1 0.808 0.02 . . . . . . 52 ILE HD1 . 16864 1 342 . 1 1 49 49 ILE HD13 H 1 0.808 0.02 . . . . . . 52 ILE HD1 . 16864 1 343 . 1 1 49 49 ILE C C 13 172.789 0.30 . . . . . . 52 ILE C . 16864 1 344 . 1 1 49 49 ILE CA C 13 59.823 0.30 . . . . . . 52 ILE CA . 16864 1 345 . 1 1 49 49 ILE CB C 13 41.134 0.30 . . . . . . 52 ILE CB . 16864 1 346 . 1 1 49 49 ILE CG1 C 13 27.120 0.30 . . . . . . 52 ILE CG1 . 16864 1 347 . 1 1 49 49 ILE CG2 C 13 16.980 0.30 . . . . . . 52 ILE CG2 . 16864 1 348 . 1 1 49 49 ILE CD1 C 13 13.560 0.30 . . . . . . 52 ILE CD1 . 16864 1 349 . 1 1 49 49 ILE N N 15 127.202 0.30 . . . . . . 52 ILE N . 16864 1 350 . 1 1 50 50 ASN H H 1 9.158 0.02 . . . . . . 53 ASN H . 16864 1 351 . 1 1 50 50 ASN HA H 1 4.689 0.02 . . . . . . 53 ASN HA . 16864 1 352 . 1 1 50 50 ASN HB2 H 1 2.626 0.02 . . . . . . 53 ASN HB2 . 16864 1 353 . 1 1 50 50 ASN HD21 H 1 7.789 0.02 . . . . . . 53 ASN HD21 . 16864 1 354 . 1 1 50 50 ASN HD22 H 1 7.618 0.02 . . . . . . 53 ASN HD22 . 16864 1 355 . 1 1 50 50 ASN C C 13 172.917 0.30 . . . . . . 53 ASN C . 16864 1 356 . 1 1 50 50 ASN CA C 13 52.304 0.30 . . . . . . 53 ASN CA . 16864 1 357 . 1 1 50 50 ASN CB C 13 37.253 0.30 . . . . . . 53 ASN CB . 16864 1 358 . 1 1 50 50 ASN N N 15 126.204 0.30 . . . . . . 53 ASN N . 16864 1 359 . 1 1 50 50 ASN ND2 N 15 111.641 0.30 . . . . . . 53 ASN ND2 . 16864 1 360 . 1 1 51 51 ASP H H 1 8.510 0.02 . . . . . . 54 ASP H . 16864 1 361 . 1 1 51 51 ASP HA H 1 4.689 0.02 . . . . . . 54 ASP HA . 16864 1 362 . 1 1 51 51 ASP HB2 H 1 2.757 0.02 . . . . . . 54 ASP HB2 . 16864 1 363 . 1 1 51 51 ASP C C 13 176.236 0.30 . . . . . . 54 ASP C . 16864 1 364 . 1 1 51 51 ASP CA C 13 54.607 0.30 . . . . . . 54 ASP CA . 16864 1 365 . 1 1 51 51 ASP CB C 13 41.842 0.30 . . . . . . 54 ASP CB . 16864 1 366 . 1 1 51 51 ASP N N 15 128.843 0.30 . . . . . . 54 ASP N . 16864 1 367 . 1 1 52 52 SER H H 1 8.689 0.02 . . . . . . 55 SER H . 16864 1 368 . 1 1 52 52 SER HA H 1 4.395 0.02 . . . . . . 55 SER HA . 16864 1 369 . 1 1 52 52 SER HB2 H 1 3.625 0.02 . . . . . . 55 SER HB2 . 16864 1 370 . 1 1 52 52 SER C C 13 173.624 0.30 . . . . . . 55 SER C . 16864 1 371 . 1 1 52 52 SER CA C 13 62.893 0.30 . . . . . . 55 SER CA . 16864 1 372 . 1 1 52 52 SER CB C 13 61.947 0.30 . . . . . . 55 SER CB . 16864 1 373 . 1 1 52 52 SER N N 15 118.998 0.30 . . . . . . 55 SER N . 16864 1 374 . 1 1 53 53 HIS H H 1 8.293 0.02 . . . . . . 56 HIS H . 16864 1 375 . 1 1 53 53 HIS HA H 1 4.689 0.02 . . . . . . 56 HIS HA . 16864 1 376 . 1 1 53 53 HIS HB2 H 1 3.740 0.02 . . . . . . 56 HIS HB2 . 16864 1 377 . 1 1 53 53 HIS C C 13 174.616 0.30 . . . . . . 56 HIS C . 16864 1 378 . 1 1 53 53 HIS CA C 13 57.591 0.30 . . . . . . 56 HIS CA . 16864 1 379 . 1 1 53 53 HIS CB C 13 28.329 0.30 . . . . . . 56 HIS CB . 16864 1 380 . 1 1 53 53 HIS N N 15 118.359 0.30 . . . . . . 56 HIS N . 16864 1 381 . 1 1 54 54 LYS H H 1 7.134 0.02 . . . . . . 57 LYS H . 16864 1 382 . 1 1 54 54 LYS HA H 1 4.378 0.02 . . . . . . 57 LYS HA . 16864 1 383 . 1 1 54 54 LYS HB2 H 1 1.692 0.02 . . . . . . 57 LYS HB2 . 16864 1 384 . 1 1 54 54 LYS HG2 H 1 1.290 0.02 . . . . . . 57 LYS HG2 . 16864 1 385 . 1 1 54 54 LYS HE2 H 1 3.019 0.02 . . . . . . 57 LYS HE2 . 16864 1 386 . 1 1 54 54 LYS C C 13 174.450 0.30 . . . . . . 57 LYS C . 16864 1 387 . 1 1 54 54 LYS CA C 13 56.107 0.30 . . . . . . 57 LYS CA . 16864 1 388 . 1 1 54 54 LYS CB C 13 30.937 0.30 . . . . . . 57 LYS CB . 16864 1 389 . 1 1 54 54 LYS CG C 13 24.680 0.30 . . . . . . 57 LYS CG . 16864 1 390 . 1 1 54 54 LYS CE C 13 42.640 0.30 . . . . . . 57 LYS CE . 16864 1 391 . 1 1 54 54 LYS N N 15 118.941 0.30 . . . . . . 57 LYS N . 16864 1 392 . 1 1 55 55 HIS H H 1 7.276 0.02 . . . . . . 58 HIS H . 16864 1 393 . 1 1 55 55 HIS HA H 1 4.247 0.02 . . . . . . 58 HIS HA . 16864 1 394 . 1 1 55 55 HIS HB2 H 1 3.199 0.02 . . . . . . 58 HIS HB2 . 16864 1 395 . 1 1 55 55 HIS C C 13 172.596 0.30 . . . . . . 58 HIS C . 16864 1 396 . 1 1 55 55 HIS CA C 13 54.369 0.30 . . . . . . 58 HIS CA . 16864 1 397 . 1 1 55 55 HIS CB C 13 30.236 0.30 . . . . . . 58 HIS CB . 16864 1 398 . 1 1 55 55 HIS N N 15 116.997 0.30 . . . . . . 58 HIS N . 16864 1 399 . 1 1 56 56 ALA H H 1 7.545 0.02 . . . . . . 59 ALA H . 16864 1 400 . 1 1 56 56 ALA HA H 1 4.165 0.02 . . . . . . 59 ALA HA . 16864 1 401 . 1 1 56 56 ALA HB1 H 1 1.269 0.02 . . . . . . 59 ALA HB . 16864 1 402 . 1 1 56 56 ALA HB2 H 1 1.269 0.02 . . . . . . 59 ALA HB . 16864 1 403 . 1 1 56 56 ALA HB3 H 1 1.269 0.02 . . . . . . 59 ALA HB . 16864 1 404 . 1 1 56 56 ALA C C 13 176.331 0.30 . . . . . . 59 ALA C . 16864 1 405 . 1 1 56 56 ALA CA C 13 52.288 0.30 . . . . . . 59 ALA CA . 16864 1 406 . 1 1 56 56 ALA CB C 13 18.603 0.30 . . . . . . 59 ALA CB . 16864 1 407 . 1 1 56 56 ALA N N 15 123.822 0.30 . . . . . . 59 ALA N . 16864 1 408 . 1 1 57 57 GLY H H 1 8.318 0.02 . . . . . . 60 GLY H . 16864 1 409 . 1 1 57 57 GLY HA2 H 1 3.756 0.02 . . . . . . 60 GLY HA2 . 16864 1 410 . 1 1 57 57 GLY C C 13 172.351 0.30 . . . . . . 60 GLY C . 16864 1 411 . 1 1 57 57 GLY CA C 13 44.612 0.30 . . . . . . 60 GLY CA . 16864 1 412 . 1 1 57 57 GLY N N 15 107.787 0.30 . . . . . . 60 GLY N . 16864 1 413 . 1 1 58 58 HIS H H 1 7.977 0.02 . . . . . . 61 HIS H . 16864 1 414 . 1 1 58 58 HIS HA H 1 4.673 0.02 . . . . . . 61 HIS HA . 16864 1 415 . 1 1 58 58 HIS HB2 H 1 3.363 0.02 . . . . . . 61 HIS HB2 . 16864 1 416 . 1 1 58 58 HIS C C 13 172.983 0.30 . . . . . . 61 HIS C . 16864 1 417 . 1 1 58 58 HIS CA C 13 55.451 0.30 . . . . . . 61 HIS CA . 16864 1 418 . 1 1 58 58 HIS CB C 13 29.780 0.30 . . . . . . 61 HIS CB . 16864 1 419 . 1 1 58 58 HIS N N 15 118.151 0.30 . . . . . . 61 HIS N . 16864 1 420 . 1 1 59 59 TYR H H 1 7.899 0.02 . . . . . . 62 TYR H . 16864 1 421 . 1 1 59 59 TYR HA H 1 4.421 0.02 . . . . . . 62 TYR HA . 16864 1 422 . 1 1 59 59 TYR HB2 H 1 2.872 0.02 . . . . . . 62 TYR HB2 . 16864 1 423 . 1 1 59 59 TYR HB3 H 1 2.757 0.02 . . . . . . 62 TYR HB3 . 16864 1 424 . 1 1 59 59 TYR C C 13 173.291 0.30 . . . . . . 62 TYR C . 16864 1 425 . 1 1 59 59 TYR CA C 13 56.876 0.30 . . . . . . 62 TYR CA . 16864 1 426 . 1 1 59 59 TYR CB C 13 38.220 0.30 . . . . . . 62 TYR CB . 16864 1 427 . 1 1 59 59 TYR N N 15 120.639 0.30 . . . . . . 62 TYR N . 16864 1 428 . 1 1 60 60 ALA H H 1 8.091 0.02 . . . . . . 63 ALA H . 16864 1 429 . 1 1 60 60 ALA HA H 1 4.165 0.02 . . . . . . 63 ALA HA . 16864 1 430 . 1 1 60 60 ALA HB1 H 1 1.221 0.02 . . . . . . 63 ALA HB . 16864 1 431 . 1 1 60 60 ALA HB2 H 1 1.221 0.02 . . . . . . 63 ALA HB . 16864 1 432 . 1 1 60 60 ALA HB3 H 1 1.221 0.02 . . . . . . 63 ALA HB . 16864 1 433 . 1 1 60 60 ALA C C 13 175.714 0.30 . . . . . . 63 ALA C . 16864 1 434 . 1 1 60 60 ALA CA C 13 51.314 0.30 . . . . . . 63 ALA CA . 16864 1 435 . 1 1 60 60 ALA CB C 13 18.410 0.30 . . . . . . 63 ALA CB . 16864 1 436 . 1 1 60 60 ALA N N 15 125.751 0.30 . . . . . . 63 ALA N . 16864 1 437 . 1 1 61 61 ARG H H 1 8.204 0.02 . . . . . . 64 ARG H . 16864 1 438 . 1 1 61 61 ARG HA H 1 4.165 0.02 . . . . . . 64 ARG HA . 16864 1 439 . 1 1 61 61 ARG HB2 H 1 1.677 0.02 . . . . . . 64 ARG HB2 . 16864 1 440 . 1 1 61 61 ARG HG2 H 1 1.546 0.02 . . . . . . 64 ARG HG2 . 16864 1 441 . 1 1 61 61 ARG HD2 H 1 3.049 0.02 . . . . . . 64 ARG HD2 . 16864 1 442 . 1 1 61 61 ARG C C 13 174.605 0.30 . . . . . . 64 ARG C . 16864 1 443 . 1 1 61 61 ARG CA C 13 55.718 0.30 . . . . . . 64 ARG CA . 16864 1 444 . 1 1 61 61 ARG CB C 13 30.750 0.30 . . . . . . 64 ARG CB . 16864 1 445 . 1 1 61 61 ARG CG C 13 27.120 0.30 . . . . . . 64 ARG CG . 16864 1 446 . 1 1 61 61 ARG CD C 13 43.180 0.30 . . . . . . 64 ARG CD . 16864 1 447 . 1 1 61 61 ARG N N 15 120.527 0.30 . . . . . . 64 ARG N . 16864 1 448 . 1 1 62 62 ASP H H 1 8.065 0.02 . . . . . . 65 ASP H . 16864 1 449 . 1 1 62 62 ASP HA H 1 4.470 0.02 . . . . . . 65 ASP HA . 16864 1 450 . 1 1 62 62 ASP HB2 H 1 2.741 0.02 . . . . . . 65 ASP HB2 . 16864 1 451 . 1 1 62 62 ASP HB3 H 1 2.541 0.02 . . . . . . 65 ASP HB3 . 16864 1 452 . 1 1 62 62 ASP C C 13 176.735 0.30 . . . . . . 65 ASP C . 16864 1 453 . 1 1 62 62 ASP CA C 13 53.257 0.30 . . . . . . 65 ASP CA . 16864 1 454 . 1 1 62 62 ASP CB C 13 40.366 0.30 . . . . . . 65 ASP CB . 16864 1 455 . 1 1 62 62 ASP N N 15 119.999 0.30 . . . . . . 65 ASP N . 16864 1 456 . 1 1 63 63 GLY H H 1 8.243 0.02 . . . . . . 66 GLY H . 16864 1 457 . 1 1 63 63 GLY HA2 H 1 3.966 0.02 . . . . . . 66 GLY HA2 . 16864 1 458 . 1 1 63 63 GLY HA3 H 1 3.754 0.02 . . . . . . 66 GLY HA3 . 16864 1 459 . 1 1 63 63 GLY C C 13 172.591 0.30 . . . . . . 66 GLY C . 16864 1 460 . 1 1 63 63 GLY CA C 13 44.687 0.30 . . . . . . 66 GLY CA . 16864 1 461 . 1 1 63 63 GLY N N 15 109.210 0.30 . . . . . . 66 GLY N . 16864 1 462 . 1 1 64 64 SER H H 1 8.129 0.02 . . . . . . 67 SER H . 16864 1 463 . 1 1 64 64 SER HA H 1 4.366 0.02 . . . . . . 67 SER HA . 16864 1 464 . 1 1 64 64 SER HB2 H 1 3.808 0.02 . . . . . . 67 SER HB2 . 16864 1 465 . 1 1 64 64 SER HB3 H 1 3.687 0.02 . . . . . . 67 SER HB3 . 16864 1 466 . 1 1 64 64 SER HG H 1 5.074 0.02 . . . . . . 67 SER HG . 16864 1 467 . 1 1 64 64 SER C C 13 172.900 0.30 . . . . . . 67 SER C . 16864 1 468 . 1 1 64 64 SER CA C 13 57.742 0.30 . . . . . . 67 SER CA . 16864 1 469 . 1 1 64 64 SER CB C 13 63.394 0.30 . . . . . . 67 SER CB . 16864 1 470 . 1 1 64 64 SER N N 15 115.775 0.30 . . . . . . 67 SER N . 16864 1 471 . 1 1 65 65 THR H H 1 8.281 0.02 . . . . . . 68 THR H . 16864 1 472 . 1 1 65 65 THR HA H 1 4.672 0.02 . . . . . . 68 THR HA . 16864 1 473 . 1 1 65 65 THR HB H 1 4.207 0.02 . . . . . . 68 THR HB . 16864 1 474 . 1 1 65 65 THR HG1 H 1 5.066 0.02 . . . . . . 68 THR HG1 . 16864 1 475 . 1 1 65 65 THR HG21 H 1 1.111 0.02 . . . . . . 68 THR HG2 . 16864 1 476 . 1 1 65 65 THR HG22 H 1 1.111 0.02 . . . . . . 68 THR HG2 . 16864 1 477 . 1 1 65 65 THR HG23 H 1 1.111 0.02 . . . . . . 68 THR HG2 . 16864 1 478 . 1 1 65 65 THR C C 13 173.053 0.30 . . . . . . 68 THR C . 16864 1 479 . 1 1 65 65 THR CA C 13 61.908 0.30 . . . . . . 68 THR CA . 16864 1 480 . 1 1 65 65 THR CB C 13 68.972 0.30 . . . . . . 68 THR CB . 16864 1 481 . 1 1 65 65 THR CG2 C 13 22.120 0.30 . . . . . . 68 THR CG2 . 16864 1 482 . 1 1 65 65 THR N N 15 115.837 0.30 . . . . . . 68 THR N . 16864 1 483 . 1 1 66 66 ALA H H 1 8.248 0.02 . . . . . . 69 ALA H . 16864 1 484 . 1 1 66 66 ALA HA H 1 4.155 0.02 . . . . . . 69 ALA HA . 16864 1 485 . 1 1 66 66 ALA HB1 H 1 1.264 0.02 . . . . . . 69 ALA HB . 16864 1 486 . 1 1 66 66 ALA HB2 H 1 1.264 0.02 . . . . . . 69 ALA HB . 16864 1 487 . 1 1 66 66 ALA HB3 H 1 1.264 0.02 . . . . . . 69 ALA HB . 16864 1 488 . 1 1 66 66 ALA C C 13 176.339 0.30 . . . . . . 69 ALA C . 16864 1 489 . 1 1 66 66 ALA CA C 13 52.496 0.30 . . . . . . 69 ALA CA . 16864 1 490 . 1 1 66 66 ALA CB C 13 18.368 0.30 . . . . . . 69 ALA CB . 16864 1 491 . 1 1 66 66 ALA N N 15 125.446 0.30 . . . . . . 69 ALA N . 16864 1 492 . 1 1 67 67 SER H H 1 8.123 0.02 . . . . . . 70 SER H . 16864 1 493 . 1 1 67 67 SER HA H 1 4.218 0.02 . . . . . . 70 SER HA . 16864 1 494 . 1 1 67 67 SER HB2 H 1 3.766 0.02 . . . . . . 70 SER HB2 . 16864 1 495 . 1 1 67 67 SER C C 13 173.306 0.30 . . . . . . 70 SER C . 16864 1 496 . 1 1 67 67 SER CA C 13 58.408 0.30 . . . . . . 70 SER CA . 16864 1 497 . 1 1 67 67 SER CB C 13 62.914 0.30 . . . . . . 70 SER CB . 16864 1 498 . 1 1 67 67 SER N N 15 114.516 0.30 . . . . . . 70 SER N . 16864 1 499 . 1 1 68 68 ASP H H 1 8.190 0.02 . . . . . . 71 ASP H . 16864 1 500 . 1 1 68 68 ASP HA H 1 4.469 0.02 . . . . . . 71 ASP HA . 16864 1 501 . 1 1 68 68 ASP HB2 H 1 2.595 0.02 . . . . . . 71 ASP HB2 . 16864 1 502 . 1 1 68 68 ASP HB3 H 1 2.540 0.02 . . . . . . 71 ASP HB3 . 16864 1 503 . 1 1 68 68 ASP C C 13 174.375 0.30 . . . . . . 71 ASP C . 16864 1 504 . 1 1 68 68 ASP CA C 13 54.033 0.30 . . . . . . 71 ASP CA . 16864 1 505 . 1 1 68 68 ASP CB C 13 40.374 0.30 . . . . . . 71 ASP CB . 16864 1 506 . 1 1 68 68 ASP N N 15 121.987 0.30 . . . . . . 71 ASP N . 16864 1 507 . 1 1 69 69 ALA H H 1 7.992 0.02 . . . . . . 72 ALA H . 16864 1 508 . 1 1 69 69 ALA HA H 1 4.262 0.02 . . . . . . 72 ALA HA . 16864 1 509 . 1 1 69 69 ALA HB1 H 1 1.272 0.02 . . . . . . 72 ALA HB . 16864 1 510 . 1 1 69 69 ALA HB2 H 1 1.272 0.02 . . . . . . 72 ALA HB . 16864 1 511 . 1 1 69 69 ALA HB3 H 1 1.272 0.02 . . . . . . 72 ALA HB . 16864 1 512 . 1 1 69 69 ALA C C 13 175.870 0.30 . . . . . . 72 ALA C . 16864 1 513 . 1 1 69 69 ALA CA C 13 51.425 0.30 . . . . . . 72 ALA CA . 16864 1 514 . 1 1 69 69 ALA CB C 13 18.508 0.30 . . . . . . 72 ALA CB . 16864 1 515 . 1 1 69 69 ALA N N 15 122.987 0.30 . . . . . . 72 ALA N . 16864 1 516 . 1 1 70 70 GLY H H 1 8.139 0.02 . . . . . . 73 GLY H . 16864 1 517 . 1 1 70 70 GLY HA2 H 1 3.859 0.02 . . . . . . 73 GLY HA2 . 16864 1 518 . 1 1 70 70 GLY C C 13 171.959 0.30 . . . . . . 73 GLY C . 16864 1 519 . 1 1 70 70 GLY CA C 13 44.833 0.30 . . . . . . 73 GLY CA . 16864 1 520 . 1 1 70 70 GLY N N 15 107.114 0.30 . . . . . . 73 GLY N . 16864 1 521 . 1 1 71 71 GLU H H 1 8.401 0.02 . . . . . . 74 GLU H . 16864 1 522 . 1 1 71 71 GLU HA H 1 4.217 0.02 . . . . . . 74 GLU HA . 16864 1 523 . 1 1 71 71 GLU HB2 H 1 2.206 0.02 . . . . . . 74 GLU HB2 . 16864 1 524 . 1 1 71 71 GLU HG2 H 1 2.693 0.02 . . . . . . 74 GLU HG2 . 16864 1 525 . 1 1 71 71 GLU C C 13 171.319 0.30 . . . . . . 74 GLU C . 16864 1 526 . 1 1 71 71 GLU CA C 13 54.582 0.30 . . . . . . 74 GLU CA . 16864 1 527 . 1 1 71 71 GLU CB C 13 31.458 0.30 . . . . . . 74 GLU CB . 16864 1 528 . 1 1 71 71 GLU CG C 13 36.340 0.30 . . . . . . 74 GLU CG . 16864 1 529 . 1 1 71 71 GLU N N 15 122.109 0.30 . . . . . . 74 GLU N . 16864 1 530 . 1 1 72 72 THR H H 1 8.093 0.02 . . . . . . 75 THR H . 16864 1 531 . 1 1 72 72 THR HA H 1 4.466 0.02 . . . . . . 75 THR HA . 16864 1 532 . 1 1 72 72 THR HB H 1 4.114 0.02 . . . . . . 75 THR HB . 16864 1 533 . 1 1 72 72 THR HG1 H 1 5.508 0.02 . . . . . . 75 THR HG1 . 16864 1 534 . 1 1 72 72 THR HG21 H 1 1.201 0.02 . . . . . . 75 THR HG2 . 16864 1 535 . 1 1 72 72 THR HG22 H 1 1.201 0.02 . . . . . . 75 THR HG2 . 16864 1 536 . 1 1 72 72 THR HG23 H 1 1.201 0.02 . . . . . . 75 THR HG2 . 16864 1 537 . 1 1 72 72 THR C C 13 173.964 0.30 . . . . . . 75 THR C . 16864 1 538 . 1 1 72 72 THR CA C 13 62.251 0.30 . . . . . . 75 THR CA . 16864 1 539 . 1 1 72 72 THR CB C 13 68.487 0.30 . . . . . . 75 THR CB . 16864 1 540 . 1 1 72 72 THR CG2 C 13 21.690 0.30 . . . . . . 75 THR CG2 . 16864 1 541 . 1 1 72 72 THR N N 15 107.666 0.30 . . . . . . 75 THR N . 16864 1 542 . 1 1 73 73 HIS H H 1 7.709 0.02 . . . . . . 76 HIS H . 16864 1 543 . 1 1 73 73 HIS HA H 1 4.689 0.02 . . . . . . 76 HIS HA . 16864 1 544 . 1 1 73 73 HIS HB2 H 1 3.260 0.02 . . . . . . 76 HIS HB2 . 16864 1 545 . 1 1 73 73 HIS C C 13 171.887 0.30 . . . . . . 76 HIS C . 16864 1 546 . 1 1 73 73 HIS CA C 13 55.662 0.30 . . . . . . 76 HIS CA . 16864 1 547 . 1 1 73 73 HIS CB C 13 32.899 0.30 . . . . . . 76 HIS CB . 16864 1 548 . 1 1 73 73 HIS N N 15 122.631 0.30 . . . . . . 76 HIS N . 16864 1 549 . 1 1 74 74 PHE H H 1 7.809 0.02 . . . . . . 77 PHE H . 16864 1 550 . 1 1 74 74 PHE HA H 1 4.689 0.02 . . . . . . 77 PHE HA . 16864 1 551 . 1 1 74 74 PHE HB2 H 1 3.232 0.02 . . . . . . 77 PHE HB2 . 16864 1 552 . 1 1 74 74 PHE C C 13 174.622 0.30 . . . . . . 77 PHE C . 16864 1 553 . 1 1 74 74 PHE CA C 13 55.015 0.30 . . . . . . 77 PHE CA . 16864 1 554 . 1 1 74 74 PHE CB C 13 43.541 0.30 . . . . . . 77 PHE CB . 16864 1 555 . 1 1 74 74 PHE N N 15 116.183 0.30 . . . . . . 77 PHE N . 16864 1 556 . 1 1 75 75 ARG H H 1 9.248 0.02 . . . . . . 78 ARG H . 16864 1 557 . 1 1 75 75 ARG HA H 1 4.444 0.02 . . . . . . 78 ARG HA . 16864 1 558 . 1 1 75 75 ARG HB2 H 1 1.610 0.02 . . . . . . 78 ARG HB2 . 16864 1 559 . 1 1 75 75 ARG HG2 H 1 1.490 0.02 . . . . . . 78 ARG HG2 . 16864 1 560 . 1 1 75 75 ARG HD2 H 1 3.821 0.02 . . . . . . 78 ARG HD2 . 16864 1 561 . 1 1 75 75 ARG C C 13 172.654 0.30 . . . . . . 78 ARG C . 16864 1 562 . 1 1 75 75 ARG CA C 13 54.473 0.30 . . . . . . 78 ARG CA . 16864 1 563 . 1 1 75 75 ARG CB C 13 32.650 0.30 . . . . . . 78 ARG CB . 16864 1 564 . 1 1 75 75 ARG CG C 13 27.200 0.30 . . . . . . 78 ARG CG . 16864 1 565 . 1 1 75 75 ARG CD C 13 42.800 0.30 . . . . . . 78 ARG CD . 16864 1 566 . 1 1 75 75 ARG N N 15 121.928 0.30 . . . . . . 78 ARG N . 16864 1 567 . 1 1 76 76 LEU H H 1 8.486 0.02 . . . . . . 79 LEU H . 16864 1 568 . 1 1 76 76 LEU HA H 1 4.460 0.02 . . . . . . 79 LEU HA . 16864 1 569 . 1 1 76 76 LEU HB2 H 1 1.630 0.02 . . . . . . 79 LEU HB2 . 16864 1 570 . 1 1 76 76 LEU HG H 1 1.430 0.02 . . . . . . 79 LEU HG . 16864 1 571 . 1 1 76 76 LEU HD11 H 1 0.906 0.02 . . . . . . 79 LEU HD1 . 16864 1 572 . 1 1 76 76 LEU HD12 H 1 0.906 0.02 . . . . . . 79 LEU HD1 . 16864 1 573 . 1 1 76 76 LEU HD13 H 1 0.906 0.02 . . . . . . 79 LEU HD1 . 16864 1 574 . 1 1 76 76 LEU C C 13 172.660 0.30 . . . . . . 79 LEU C . 16864 1 575 . 1 1 76 76 LEU CA C 13 52.271 0.30 . . . . . . 79 LEU CA . 16864 1 576 . 1 1 76 76 LEU CB C 13 45.963 0.30 . . . . . . 79 LEU CB . 16864 1 577 . 1 1 76 76 LEU CG C 13 25.980 0.30 . . . . . . 79 LEU CG . 16864 1 578 . 1 1 76 76 LEU CD1 C 13 24.160 0.30 . . . . . . 79 LEU CD1 . 16864 1 579 . 1 1 76 76 LEU N N 15 124.150 0.30 . . . . . . 79 LEU N . 16864 1 580 . 1 1 77 77 GLU H H 1 9.107 0.02 . . . . . . 80 GLU H . 16864 1 581 . 1 1 77 77 GLU HA H 1 4.444 0.02 . . . . . . 80 GLU HA . 16864 1 582 . 1 1 77 77 GLU HB2 H 1 2.085 0.02 . . . . . . 80 GLU HB2 . 16864 1 583 . 1 1 77 77 GLU HG2 H 1 2.511 0.02 . . . . . . 80 GLU HG2 . 16864 1 584 . 1 1 77 77 GLU C C 13 172.682 0.30 . . . . . . 80 GLU C . 16864 1 585 . 1 1 77 77 GLU CA C 13 53.273 0.30 . . . . . . 80 GLU CA . 16864 1 586 . 1 1 77 77 GLU CB C 13 30.260 0.30 . . . . . . 80 GLU CB . 16864 1 587 . 1 1 77 77 GLU CG C 13 35.180 0.30 . . . . . . 80 GLU CG . 16864 1 588 . 1 1 77 77 GLU N N 15 126.798 0.30 . . . . . . 80 GLU N . 16864 1 589 . 1 1 78 78 VAL H H 1 8.459 0.02 . . . . . . 81 VAL H . 16864 1 590 . 1 1 78 78 VAL HA H 1 4.214 0.02 . . . . . . 81 VAL HA . 16864 1 591 . 1 1 78 78 VAL HB H 1 1.954 0.02 . . . . . . 81 VAL HB . 16864 1 592 . 1 1 78 78 VAL HG11 H 1 0.987 0.02 . . . . . . 81 VAL HG1 . 16864 1 593 . 1 1 78 78 VAL HG12 H 1 0.987 0.02 . . . . . . 81 VAL HG1 . 16864 1 594 . 1 1 78 78 VAL HG13 H 1 0.987 0.02 . . . . . . 81 VAL HG1 . 16864 1 595 . 1 1 78 78 VAL HG21 H 1 0.937 0.02 . . . . . . 81 VAL HG2 . 16864 1 596 . 1 1 78 78 VAL HG22 H 1 0.937 0.02 . . . . . . 81 VAL HG2 . 16864 1 597 . 1 1 78 78 VAL HG23 H 1 0.937 0.02 . . . . . . 81 VAL HG2 . 16864 1 598 . 1 1 78 78 VAL C C 13 172.198 0.30 . . . . . . 81 VAL C . 16864 1 599 . 1 1 78 78 VAL CA C 13 59.718 0.30 . . . . . . 81 VAL CA . 16864 1 600 . 1 1 78 78 VAL CB C 13 34.835 0.30 . . . . . . 81 VAL CB . 16864 1 601 . 1 1 78 78 VAL CG1 C 13 21.560 0.30 . . . . . . 81 VAL CG1 . 16864 1 602 . 1 1 78 78 VAL CG2 C 13 21.420 0.30 . . . . . . 81 VAL CG2 . 16864 1 603 . 1 1 78 78 VAL N N 15 119.285 0.30 . . . . . . 81 VAL N . 16864 1 604 . 1 1 79 79 THR H H 1 8.688 0.02 . . . . . . 82 THR H . 16864 1 605 . 1 1 79 79 THR HA H 1 4.264 0.02 . . . . . . 82 THR HA . 16864 1 606 . 1 1 79 79 THR HB H 1 4.018 0.02 . . . . . . 82 THR HB . 16864 1 607 . 1 1 79 79 THR HG21 H 1 0.784 0.02 . . . . . . 82 THR HG2 . 16864 1 608 . 1 1 79 79 THR HG22 H 1 0.784 0.02 . . . . . . 82 THR HG2 . 16864 1 609 . 1 1 79 79 THR HG23 H 1 0.784 0.02 . . . . . . 82 THR HG2 . 16864 1 610 . 1 1 79 79 THR C C 13 172.426 0.30 . . . . . . 82 THR C . 16864 1 611 . 1 1 79 79 THR CA C 13 59.075 0.30 . . . . . . 82 THR CA . 16864 1 612 . 1 1 79 79 THR CB C 13 68.499 0.30 . . . . . . 82 THR CB . 16864 1 613 . 1 1 79 79 THR CG2 C 13 21.970 0.30 . . . . . . 82 THR CG2 . 16864 1 614 . 1 1 79 79 THR N N 15 127.145 0.30 . . . . . . 82 THR N . 16864 1 615 . 1 1 80 80 SER H H 1 8.831 0.02 . . . . . . 83 SER H . 16864 1 616 . 1 1 80 80 SER HA H 1 4.460 0.02 . . . . . . 83 SER HA . 16864 1 617 . 1 1 80 80 SER HB2 H 1 4.165 0.02 . . . . . . 83 SER HB2 . 16864 1 618 . 1 1 80 80 SER C C 13 173.220 0.30 . . . . . . 83 SER C . 16864 1 619 . 1 1 80 80 SER CA C 13 55.914 0.30 . . . . . . 83 SER CA . 16864 1 620 . 1 1 80 80 SER CB C 13 63.362 0.30 . . . . . . 83 SER CB . 16864 1 621 . 1 1 80 80 SER N N 15 117.286 0.30 . . . . . . 83 SER N . 16864 1 622 . 1 1 81 81 ASP H H 1 9.081 0.02 . . . . . . 84 ASP H . 16864 1 623 . 1 1 81 81 ASP HA H 1 4.518 0.02 . . . . . . 84 ASP HA . 16864 1 624 . 1 1 81 81 ASP HB2 H 1 2.935 0.02 . . . . . . 84 ASP HB2 . 16864 1 625 . 1 1 81 81 ASP HB3 H 1 1.980 0.02 . . . . . . 84 ASP HB3 . 16864 1 626 . 1 1 81 81 ASP C C 13 175.944 0.30 . . . . . . 84 ASP C . 16864 1 627 . 1 1 81 81 ASP CA C 13 56.116 0.30 . . . . . . 84 ASP CA . 16864 1 628 . 1 1 81 81 ASP CB C 13 40.395 0.30 . . . . . . 84 ASP CB . 16864 1 629 . 1 1 81 81 ASP N N 15 130.709 0.30 . . . . . . 84 ASP N . 16864 1 630 . 1 1 82 82 ALA H H 1 8.548 0.02 . . . . . . 85 ALA H . 16864 1 631 . 1 1 82 82 ALA HA H 1 4.011 0.02 . . . . . . 85 ALA HA . 16864 1 632 . 1 1 82 82 ALA HB1 H 1 1.018 0.02 . . . . . . 85 ALA HB . 16864 1 633 . 1 1 82 82 ALA HB2 H 1 1.018 0.02 . . . . . . 85 ALA HB . 16864 1 634 . 1 1 82 82 ALA HB3 H 1 1.018 0.02 . . . . . . 85 ALA HB . 16864 1 635 . 1 1 82 82 ALA C C 13 176.256 0.30 . . . . . . 85 ALA C . 16864 1 636 . 1 1 82 82 ALA CA C 13 52.938 0.30 . . . . . . 85 ALA CA . 16864 1 637 . 1 1 82 82 ALA CB C 13 18.642 0.30 . . . . . . 85 ALA CB . 16864 1 638 . 1 1 82 82 ALA N N 15 122.620 0.30 . . . . . . 85 ALA N . 16864 1 639 . 1 1 83 83 PHE H H 1 6.577 0.02 . . . . . . 86 PHE H . 16864 1 640 . 1 1 83 83 PHE HA H 1 4.374 0.02 . . . . . . 86 PHE HA . 16864 1 641 . 1 1 83 83 PHE HB2 H 1 2.806 0.02 . . . . . . 86 PHE HB2 . 16864 1 642 . 1 1 83 83 PHE C C 13 173.141 0.30 . . . . . . 86 PHE C . 16864 1 643 . 1 1 83 83 PHE CA C 13 54.039 0.30 . . . . . . 86 PHE CA . 16864 1 644 . 1 1 83 83 PHE CB C 13 37.193 0.30 . . . . . . 86 PHE CB . 16864 1 645 . 1 1 83 83 PHE N N 15 111.320 0.30 . . . . . . 86 PHE N . 16864 1 646 . 1 1 84 84 LYS H H 1 7.388 0.02 . . . . . . 87 LYS H . 16864 1 647 . 1 1 84 84 LYS HA H 1 3.812 0.02 . . . . . . 87 LYS HA . 16864 1 648 . 1 1 84 84 LYS HB2 H 1 1.820 0.02 . . . . . . 87 LYS HB2 . 16864 1 649 . 1 1 84 84 LYS HG2 H 1 1.460 0.02 . . . . . . 87 LYS HG2 . 16864 1 650 . 1 1 84 84 LYS C C 13 175.636 0.30 . . . . . . 87 LYS C . 16864 1 651 . 1 1 84 84 LYS CA C 13 58.192 0.30 . . . . . . 87 LYS CA . 16864 1 652 . 1 1 84 84 LYS CB C 13 32.424 0.30 . . . . . . 87 LYS CB . 16864 1 653 . 1 1 84 84 LYS CG C 13 24.980 0.30 . . . . . . 87 LYS CG . 16864 1 654 . 1 1 84 84 LYS N N 15 120.506 0.30 . . . . . . 87 LYS N . 16864 1 655 . 1 1 85 85 GLY H H 1 8.954 0.02 . . . . . . 88 GLY H . 16864 1 656 . 1 1 85 85 GLY HA2 H 1 4.055 0.02 . . . . . . 88 GLY HA2 . 16864 1 657 . 1 1 85 85 GLY C C 13 172.110 0.30 . . . . . . 88 GLY C . 16864 1 658 . 1 1 85 85 GLY CA C 13 44.435 0.30 . . . . . . 88 GLY CA . 16864 1 659 . 1 1 85 85 GLY N N 15 113.550 0.30 . . . . . . 88 GLY N . 16864 1 660 . 1 1 86 86 LEU H H 1 7.849 0.02 . . . . . . 89 LEU H . 16864 1 661 . 1 1 86 86 LEU HA H 1 4.463 0.02 . . . . . . 89 LEU HA . 16864 1 662 . 1 1 86 86 LEU HB2 H 1 1.873 0.02 . . . . . . 89 LEU HB2 . 16864 1 663 . 1 1 86 86 LEU HG H 1 1.630 0.02 . . . . . . 89 LEU HG . 16864 1 664 . 1 1 86 86 LEU HD11 H 1 0.820 0.02 . . . . . . 89 LEU HD1 . 16864 1 665 . 1 1 86 86 LEU HD12 H 1 0.820 0.02 . . . . . . 89 LEU HD1 . 16864 1 666 . 1 1 86 86 LEU HD13 H 1 0.820 0.02 . . . . . . 89 LEU HD1 . 16864 1 667 . 1 1 86 86 LEU C C 13 176.881 0.30 . . . . . . 89 LEU C . 16864 1 668 . 1 1 86 86 LEU CA C 13 52.963 0.30 . . . . . . 89 LEU CA . 16864 1 669 . 1 1 86 86 LEU CB C 13 42.615 0.30 . . . . . . 89 LEU CB . 16864 1 670 . 1 1 86 86 LEU CG C 13 26.930 0.30 . . . . . . 89 LEU CG . 16864 1 671 . 1 1 86 86 LEU CD1 C 13 25.870 0.30 . . . . . . 89 LEU CD1 . 16864 1 672 . 1 1 86 86 LEU N N 15 120.060 0.30 . . . . . . 89 LEU N . 16864 1 673 . 1 1 87 87 THR H H 1 7.732 0.02 . . . . . . 90 THR H . 16864 1 674 . 1 1 87 87 THR HA H 1 4.150 0.02 . . . . . . 90 THR HA . 16864 1 675 . 1 1 87 87 THR HB H 1 4.105 0.02 . . . . . . 90 THR HB . 16864 1 676 . 1 1 87 87 THR C C 13 173.061 0.30 . . . . . . 90 THR C . 16864 1 677 . 1 1 87 87 THR CA C 13 60.170 0.30 . . . . . . 90 THR CA . 16864 1 678 . 1 1 87 87 THR CB C 13 69.454 0.30 . . . . . . 90 THR CB . 16864 1 679 . 1 1 87 87 THR CG2 C 13 21.230 0.30 . . . . . . 90 THR CG2 . 16864 1 680 . 1 1 87 87 THR N N 15 115.005 0.30 . . . . . . 90 THR N . 16864 1 681 . 1 1 88 88 LEU H H 1 8.541 0.02 . . . . . . 91 LEU H . 16864 1 682 . 1 1 88 88 LEU HA H 1 4.670 0.02 . . . . . . 91 LEU HA . 16864 1 683 . 1 1 88 88 LEU HB2 H 1 1.008 0.02 . . . . . . 91 LEU HB2 . 16864 1 684 . 1 1 88 88 LEU HG H 1 1.610 0.02 . . . . . . 91 LEU HG . 16864 1 685 . 1 1 88 88 LEU HD11 H 1 0.860 0.02 . . . . . . 91 LEU HD1 . 16864 1 686 . 1 1 88 88 LEU HD12 H 1 0.860 0.02 . . . . . . 91 LEU HD1 . 16864 1 687 . 1 1 88 88 LEU HD13 H 1 0.860 0.02 . . . . . . 91 LEU HD1 . 16864 1 688 . 1 1 88 88 LEU C C 13 176.236 0.30 . . . . . . 91 LEU C . 16864 1 689 . 1 1 88 88 LEU CA C 13 58.962 0.30 . . . . . . 91 LEU CA . 16864 1 690 . 1 1 88 88 LEU CB C 13 40.470 0.30 . . . . . . 91 LEU CB . 16864 1 691 . 1 1 88 88 LEU CG C 13 26.120 0.30 . . . . . . 91 LEU CG . 16864 1 692 . 1 1 88 88 LEU CD1 C 13 24.890 0.30 . . . . . . 91 LEU CD1 . 16864 1 693 . 1 1 88 88 LEU N N 15 122.791 0.30 . . . . . . 91 LEU N . 16864 1 694 . 1 1 89 89 VAL H H 1 7.849 0.02 . . . . . . 92 VAL H . 16864 1 695 . 1 1 89 89 VAL HA H 1 4.214 0.02 . . . . . . 92 VAL HA . 16864 1 696 . 1 1 89 89 VAL HB H 1 1.940 0.02 . . . . . . 92 VAL HB . 16864 1 697 . 1 1 89 89 VAL HG11 H 1 0.860 0.02 . . . . . . 92 VAL HG1 . 16864 1 698 . 1 1 89 89 VAL HG12 H 1 0.860 0.02 . . . . . . 92 VAL HG1 . 16864 1 699 . 1 1 89 89 VAL HG13 H 1 0.860 0.02 . . . . . . 92 VAL HG1 . 16864 1 700 . 1 1 89 89 VAL HG21 H 1 0.810 0.02 . . . . . . 92 VAL HG2 . 16864 1 701 . 1 1 89 89 VAL HG22 H 1 0.810 0.02 . . . . . . 92 VAL HG2 . 16864 1 702 . 1 1 89 89 VAL HG23 H 1 0.810 0.02 . . . . . . 92 VAL HG2 . 16864 1 703 . 1 1 89 89 VAL C C 13 176.536 0.30 . . . . . . 92 VAL C . 16864 1 704 . 1 1 89 89 VAL CA C 13 64.974 0.30 . . . . . . 92 VAL CA . 16864 1 705 . 1 1 89 89 VAL CB C 13 30.716 0.30 . . . . . . 92 VAL CB . 16864 1 706 . 1 1 89 89 VAL CG1 C 13 21.970 0.30 . . . . . . 92 VAL CG1 . 16864 1 707 . 1 1 89 89 VAL CG2 C 13 21.690 0.30 . . . . . . 92 VAL CG2 . 16864 1 708 . 1 1 89 89 VAL N N 15 114.284 0.30 . . . . . . 92 VAL N . 16864 1 709 . 1 1 90 90 LYS H H 1 6.997 0.02 . . . . . . 93 LYS H . 16864 1 710 . 1 1 90 90 LYS HA H 1 4.010 0.02 . . . . . . 93 LYS HA . 16864 1 711 . 1 1 90 90 LYS HG2 H 1 1.670 0.02 . . . . . . 93 LYS HG2 . 16864 1 712 . 1 1 90 90 LYS HD2 H 1 1.380 0.02 . . . . . . 93 LYS HD2 . 16864 1 713 . 1 1 90 90 LYS HE2 H 1 3.347 0.02 . . . . . . 93 LYS HE2 . 16864 1 714 . 1 1 90 90 LYS C C 13 178.142 0.30 . . . . . . 93 LYS C . 16864 1 715 . 1 1 90 90 LYS CA C 13 58.184 0.30 . . . . . . 93 LYS CA . 16864 1 716 . 1 1 90 90 LYS CB C 13 31.906 0.30 . . . . . . 93 LYS CB . 16864 1 717 . 1 1 90 90 LYS CG C 13 24.560 0.30 . . . . . . 93 LYS CG . 16864 1 718 . 1 1 90 90 LYS CD C 13 29.130 0.30 . . . . . . 93 LYS CD . 16864 1 719 . 1 1 90 90 LYS CE C 13 42.670 0.30 . . . . . . 93 LYS CE . 16864 1 720 . 1 1 90 90 LYS N N 15 119.820 0.30 . . . . . . 93 LYS N . 16864 1 721 . 1 1 91 91 ARG H H 1 8.383 0.02 . . . . . . 94 ARG H . 16864 1 722 . 1 1 91 91 ARG HA H 1 4.411 0.02 . . . . . . 94 ARG HA . 16864 1 723 . 1 1 91 91 ARG HB2 H 1 1.740 0.02 . . . . . . 94 ARG HB2 . 16864 1 724 . 1 1 91 91 ARG HG2 H 1 1.590 0.02 . . . . . . 94 ARG HG2 . 16864 1 725 . 1 1 91 91 ARG HD2 H 1 3.756 0.02 . . . . . . 94 ARG HD2 . 16864 1 726 . 1 1 91 91 ARG C C 13 175.553 0.30 . . . . . . 94 ARG C . 16864 1 727 . 1 1 91 91 ARG CA C 13 59.209 0.30 . . . . . . 94 ARG CA . 16864 1 728 . 1 1 91 91 ARG CB C 13 29.023 0.30 . . . . . . 94 ARG CB . 16864 1 729 . 1 1 91 91 ARG CG C 13 26.540 0.30 . . . . . . 94 ARG CG . 16864 1 730 . 1 1 91 91 ARG CD C 13 43.260 0.30 . . . . . . 94 ARG CD . 16864 1 731 . 1 1 91 91 ARG N N 15 121.408 0.30 . . . . . . 94 ARG N . 16864 1 732 . 1 1 92 92 HIS H H 1 8.026 0.02 . . . . . . 95 HIS H . 16864 1 733 . 1 1 92 92 HIS HA H 1 4.164 0.02 . . . . . . 95 HIS HA . 16864 1 734 . 1 1 92 92 HIS HB2 H 1 3.199 0.02 . . . . . . 95 HIS HB2 . 16864 1 735 . 1 1 92 92 HIS C C 13 175.873 0.30 . . . . . . 95 HIS C . 16864 1 736 . 1 1 92 92 HIS CA C 13 57.509 0.30 . . . . . . 95 HIS CA . 16864 1 737 . 1 1 92 92 HIS CB C 13 29.721 0.30 . . . . . . 95 HIS CB . 16864 1 738 . 1 1 92 92 HIS N N 15 116.648 0.30 . . . . . . 95 HIS N . 16864 1 739 . 1 1 93 93 GLN H H 1 8.295 0.02 . . . . . . 96 GLN H . 16864 1 740 . 1 1 93 93 GLN HA H 1 3.975 0.02 . . . . . . 96 GLN HA . 16864 1 741 . 1 1 93 93 GLN HB2 H 1 2.060 0.02 . . . . . . 96 GLN HB2 . 16864 1 742 . 1 1 93 93 GLN HG2 H 1 2.282 0.02 . . . . . . 96 GLN HG2 . 16864 1 743 . 1 1 93 93 GLN HE21 H 1 7.390 0.02 . . . . . . 96 GLN HE21 . 16864 1 744 . 1 1 93 93 GLN HE22 H 1 6.707 0.02 . . . . . . 96 GLN HE22 . 16864 1 745 . 1 1 93 93 GLN C C 13 176.886 0.30 . . . . . . 96 GLN C . 16864 1 746 . 1 1 93 93 GLN CA C 13 58.288 0.30 . . . . . . 96 GLN CA . 16864 1 747 . 1 1 93 93 GLN CB C 13 27.771 0.30 . . . . . . 96 GLN CB . 16864 1 748 . 1 1 93 93 GLN CG C 13 33.890 0.30 . . . . . . 96 GLN CG . 16864 1 749 . 1 1 93 93 GLN N N 15 117.803 0.30 . . . . . . 96 GLN N . 16864 1 750 . 1 1 93 93 GLN NE2 N 15 111.474 0.30 . . . . . . 96 GLN NE2 . 16864 1 751 . 1 1 94 94 LEU H H 1 7.759 0.02 . . . . . . 97 LEU H . 16864 1 752 . 1 1 94 94 LEU HA H 1 4.061 0.02 . . . . . . 97 LEU HA . 16864 1 753 . 1 1 94 94 LEU HB2 H 1 1.720 0.02 . . . . . . 97 LEU HB2 . 16864 1 754 . 1 1 94 94 LEU HG H 1 1.560 0.02 . . . . . . 97 LEU HG . 16864 1 755 . 1 1 94 94 LEU C C 13 177.747 0.30 . . . . . . 97 LEU C . 16864 1 756 . 1 1 94 94 LEU CA C 13 57.768 0.30 . . . . . . 97 LEU CA . 16864 1 757 . 1 1 94 94 LEU CB C 13 41.616 0.30 . . . . . . 97 LEU CB . 16864 1 758 . 1 1 94 94 LEU CG C 13 26.970 0.30 . . . . . . 97 LEU CG . 16864 1 759 . 1 1 94 94 LEU CD1 C 13 24.560 0.30 . . . . . . 97 LEU CD1 . 16864 1 760 . 1 1 94 94 LEU N N 15 121.986 0.30 . . . . . . 97 LEU N . 16864 1 761 . 1 1 95 95 ILE H H 1 7.058 0.02 . . . . . . 98 ILE H . 16864 1 762 . 1 1 95 95 ILE HA H 1 4.682 0.02 . . . . . . 98 ILE HA . 16864 1 763 . 1 1 95 95 ILE HB H 1 1.829 0.02 . . . . . . 98 ILE HB . 16864 1 764 . 1 1 95 95 ILE HG12 H 1 1.230 0.02 . . . . . . 98 ILE HG12 . 16864 1 765 . 1 1 95 95 ILE HG21 H 1 0.530 0.02 . . . . . . 98 ILE HG2 . 16864 1 766 . 1 1 95 95 ILE HG22 H 1 0.530 0.02 . . . . . . 98 ILE HG2 . 16864 1 767 . 1 1 95 95 ILE HG23 H 1 0.530 0.02 . . . . . . 98 ILE HG2 . 16864 1 768 . 1 1 95 95 ILE C C 13 175.942 0.30 . . . . . . 98 ILE C . 16864 1 769 . 1 1 95 95 ILE CA C 13 63.094 0.30 . . . . . . 98 ILE CA . 16864 1 770 . 1 1 95 95 ILE CB C 13 35.067 0.30 . . . . . . 98 ILE CB . 16864 1 771 . 1 1 95 95 ILE CG1 C 13 28.360 0.30 . . . . . . 98 ILE CG1 . 16864 1 772 . 1 1 95 95 ILE CG2 C 13 17.690 0.30 . . . . . . 98 ILE CG2 . 16864 1 773 . 1 1 95 95 ILE CD1 C 13 13.260 0.30 . . . . . . 98 ILE CD1 . 16864 1 774 . 1 1 95 95 ILE N N 15 117.838 0.30 . . . . . . 98 ILE N . 16864 1 775 . 1 1 96 96 TYR H H 1 8.560 0.02 . . . . . . 99 TYR H . 16864 1 776 . 1 1 96 96 TYR HA H 1 4.722 0.02 . . . . . . 99 TYR HA . 16864 1 777 . 1 1 96 96 TYR HB2 H 1 2.780 0.02 . . . . . . 99 TYR HB2 . 16864 1 778 . 1 1 96 96 TYR C C 13 177.981 0.30 . . . . . . 99 TYR C . 16864 1 779 . 1 1 96 96 TYR CA C 13 60.928 0.30 . . . . . . 99 TYR CA . 16864 1 780 . 1 1 96 96 TYR CB C 13 36.312 0.30 . . . . . . 99 TYR CB . 16864 1 781 . 1 1 96 96 TYR N N 15 118.461 0.30 . . . . . . 99 TYR N . 16864 1 782 . 1 1 97 97 GLY H H 1 8.293 0.02 . . . . . . 100 GLY H . 16864 1 783 . 1 1 97 97 GLY HA2 H 1 3.857 0.02 . . . . . . 100 GLY HA2 . 16864 1 784 . 1 1 97 97 GLY C C 13 174.542 0.30 . . . . . . 100 GLY C . 16864 1 785 . 1 1 97 97 GLY CA C 13 45.884 0.30 . . . . . . 100 GLY CA . 16864 1 786 . 1 1 97 97 GLY N N 15 104.642 0.30 . . . . . . 100 GLY N . 16864 1 787 . 1 1 98 98 LEU H H 1 7.633 0.02 . . . . . . 101 LEU H . 16864 1 788 . 1 1 98 98 LEU HA H 1 4.213 0.02 . . . . . . 101 LEU HA . 16864 1 789 . 1 1 98 98 LEU HB2 H 1 1.879 0.02 . . . . . . 101 LEU HB2 . 16864 1 790 . 1 1 98 98 LEU HG H 1 1.421 0.02 . . . . . . 101 LEU HG . 16864 1 791 . 1 1 98 98 LEU C C 13 177.036 0.30 . . . . . . 101 LEU C . 16864 1 792 . 1 1 98 98 LEU CA C 13 55.875 0.30 . . . . . . 101 LEU CA . 16864 1 793 . 1 1 98 98 LEU CB C 13 42.580 0.30 . . . . . . 101 LEU CB . 16864 1 794 . 1 1 98 98 LEU CG C 13 26.580 0.30 . . . . . . 101 LEU CG . 16864 1 795 . 1 1 98 98 LEU CD1 C 13 24.690 0.30 . . . . . . 101 LEU CD1 . 16864 1 796 . 1 1 98 98 LEU N N 15 121.228 0.30 . . . . . . 101 LEU N . 16864 1 797 . 1 1 99 99 LEU H H 1 7.327 0.02 . . . . . . 102 LEU H . 16864 1 798 . 1 1 99 99 LEU HA H 1 5.026 0.02 . . . . . . 102 LEU HA . 16864 1 799 . 1 1 99 99 LEU HB2 H 1 1.760 0.02 . . . . . . 102 LEU HB2 . 16864 1 800 . 1 1 99 99 LEU HG H 1 1.590 0.02 . . . . . . 102 LEU HG . 16864 1 801 . 1 1 99 99 LEU C C 13 173.594 0.30 . . . . . . 102 LEU C . 16864 1 802 . 1 1 99 99 LEU CA C 13 52.882 0.30 . . . . . . 102 LEU CA . 16864 1 803 . 1 1 99 99 LEU CB C 13 41.113 0.30 . . . . . . 102 LEU CB . 16864 1 804 . 1 1 99 99 LEU CG C 13 26.870 0.30 . . . . . . 102 LEU CG . 16864 1 805 . 1 1 99 99 LEU CD1 C 13 24.360 0.30 . . . . . . 102 LEU CD1 . 16864 1 806 . 1 1 99 99 LEU N N 15 115.951 0.30 . . . . . . 102 LEU N . 16864 1 807 . 1 1 100 100 SER H H 1 7.862 0.02 . . . . . . 103 SER H . 16864 1 808 . 1 1 100 100 SER HA H 1 4.161 0.02 . . . . . . 103 SER HA . 16864 1 809 . 1 1 100 100 SER HB2 H 1 3.696 0.02 . . . . . . 103 SER HB2 . 16864 1 810 . 1 1 100 100 SER C C 13 175.995 0.30 . . . . . . 103 SER C . 16864 1 811 . 1 1 100 100 SER CA C 13 59.065 0.30 . . . . . . 103 SER CA . 16864 1 812 . 1 1 100 100 SER CB C 13 64.347 0.30 . . . . . . 103 SER CB . 16864 1 813 . 1 1 100 100 SER N N 15 126.115 0.30 . . . . . . 103 SER N . 16864 1 814 . 1 1 101 101 ASP H H 1 8.881 0.02 . . . . . . 104 ASP H . 16864 1 815 . 1 1 101 101 ASP HA H 1 4.673 0.02 . . . . . . 104 ASP HA . 16864 1 816 . 1 1 101 101 ASP HB2 H 1 2.282 0.02 . . . . . . 104 ASP HB2 . 16864 1 817 . 1 1 101 101 ASP C C 13 176.418 0.30 . . . . . . 104 ASP C . 16864 1 818 . 1 1 101 101 ASP CA C 13 56.555 0.30 . . . . . . 104 ASP CA . 16864 1 819 . 1 1 101 101 ASP CB C 13 38.515 0.30 . . . . . . 104 ASP CB . 16864 1 820 . 1 1 101 101 ASP N N 15 119.830 0.30 . . . . . . 104 ASP N . 16864 1 821 . 1 1 102 102 GLU H H 1 7.849 0.02 . . . . . . 105 GLU H . 16864 1 822 . 1 1 102 102 GLU HA H 1 3.809 0.02 . . . . . . 105 GLU HA . 16864 1 823 . 1 1 102 102 GLU HB2 H 1 1.860 0.02 . . . . . . 105 GLU HB2 . 16864 1 824 . 1 1 102 102 GLU HG2 H 1 2.190 0.02 . . . . . . 105 GLU HG2 . 16864 1 825 . 1 1 102 102 GLU C C 13 176.987 0.30 . . . . . . 105 GLU C . 16864 1 826 . 1 1 102 102 GLU CA C 13 60.816 0.30 . . . . . . 105 GLU CA . 16864 1 827 . 1 1 102 102 GLU CB C 13 27.108 0.30 . . . . . . 105 GLU CB . 16864 1 828 . 1 1 102 102 GLU CG C 13 35.640 0.30 . . . . . . 105 GLU CG . 16864 1 829 . 1 1 102 102 GLU N N 15 123.686 0.30 . . . . . . 105 GLU N . 16864 1 830 . 1 1 103 103 PHE H H 1 7.785 0.02 . . . . . . 106 PHE H . 16864 1 831 . 1 1 103 103 PHE HA H 1 4.722 0.02 . . . . . . 106 PHE HA . 16864 1 832 . 1 1 103 103 PHE HB2 H 1 3.396 0.02 . . . . . . 106 PHE HB2 . 16864 1 833 . 1 1 103 103 PHE C C 13 177.445 0.30 . . . . . . 106 PHE C . 16864 1 834 . 1 1 103 103 PHE CA C 13 61.139 0.30 . . . . . . 106 PHE CA . 16864 1 835 . 1 1 103 103 PHE CB C 13 37.740 0.30 . . . . . . 106 PHE CB . 16864 1 836 . 1 1 103 103 PHE N N 15 118.482 0.30 . . . . . . 106 PHE N . 16864 1 837 . 1 1 104 104 LYS H H 1 7.564 0.02 . . . . . . 107 LYS H . 16864 1 838 . 1 1 104 104 LYS HA H 1 4.100 0.02 . . . . . . 107 LYS HA . 16864 1 839 . 1 1 104 104 LYS HB2 H 1 1.905 0.02 . . . . . . 107 LYS HB2 . 16864 1 840 . 1 1 104 104 LYS HG2 H 1 1.630 0.02 . . . . . . 107 LYS HG2 . 16864 1 841 . 1 1 104 104 LYS HE2 H 1 3.248 0.02 . . . . . . 107 LYS HE2 . 16864 1 842 . 1 1 104 104 LYS HE3 H 1 2.937 0.02 . . . . . . 107 LYS HE3 . 16864 1 843 . 1 1 104 104 LYS C C 13 175.623 0.30 . . . . . . 107 LYS C . 16864 1 844 . 1 1 104 104 LYS CA C 13 57.973 0.30 . . . . . . 107 LYS CA . 16864 1 845 . 1 1 104 104 LYS CB C 13 31.480 0.30 . . . . . . 107 LYS CB . 16864 1 846 . 1 1 104 104 LYS CG C 13 24.570 0.30 . . . . . . 107 LYS CG . 16864 1 847 . 1 1 104 104 LYS CD C 13 28.690 0.30 . . . . . . 107 LYS CD . 16864 1 848 . 1 1 104 104 LYS CE C 13 41.860 0.30 . . . . . . 107 LYS CE . 16864 1 849 . 1 1 104 104 LYS N N 15 119.421 0.30 . . . . . . 107 LYS N . 16864 1 850 . 1 1 105 105 ALA H H 1 7.353 0.02 . . . . . . 108 ALA H . 16864 1 851 . 1 1 105 105 ALA HA H 1 4.317 0.02 . . . . . . 108 ALA HA . 16864 1 852 . 1 1 105 105 ALA HB1 H 1 1.372 0.02 . . . . . . 108 ALA HB . 16864 1 853 . 1 1 105 105 ALA HB2 H 1 1.372 0.02 . . . . . . 108 ALA HB . 16864 1 854 . 1 1 105 105 ALA HB3 H 1 1.372 0.02 . . . . . . 108 ALA HB . 16864 1 855 . 1 1 105 105 ALA C C 13 174.928 0.30 . . . . . . 108 ALA C . 16864 1 856 . 1 1 105 105 ALA CA C 13 51.406 0.30 . . . . . . 108 ALA CA . 16864 1 857 . 1 1 105 105 ALA CB C 13 18.610 0.30 . . . . . . 108 ALA CB . 16864 1 858 . 1 1 105 105 ALA N N 15 120.349 0.30 . . . . . . 108 ALA N . 16864 1 859 . 1 1 106 106 GLY H H 1 7.365 0.02 . . . . . . 109 GLY H . 16864 1 860 . 1 1 106 106 GLY HA2 H 1 4.570 0.02 . . . . . . 109 GLY HA2 . 16864 1 861 . 1 1 106 106 GLY C C 13 172.276 0.30 . . . . . . 109 GLY C . 16864 1 862 . 1 1 106 106 GLY CA C 13 44.427 0.30 . . . . . . 109 GLY CA . 16864 1 863 . 1 1 106 106 GLY N N 15 104.755 0.30 . . . . . . 109 GLY N . 16864 1 864 . 1 1 107 107 LEU H H 1 7.693 0.02 . . . . . . 110 LEU H . 16864 1 865 . 1 1 107 107 LEU HA H 1 4.061 0.02 . . . . . . 110 LEU HA . 16864 1 866 . 1 1 107 107 LEU HB2 H 1 1.690 0.02 . . . . . . 110 LEU HB2 . 16864 1 867 . 1 1 107 107 LEU HG H 1 1.540 0.02 . . . . . . 110 LEU HG . 16864 1 868 . 1 1 107 107 LEU HD11 H 1 0.860 0.02 . . . . . . 110 LEU HD1 . 16864 1 869 . 1 1 107 107 LEU HD12 H 1 0.860 0.02 . . . . . . 110 LEU HD1 . 16864 1 870 . 1 1 107 107 LEU HD13 H 1 0.860 0.02 . . . . . . 110 LEU HD1 . 16864 1 871 . 1 1 107 107 LEU C C 13 172.972 0.30 . . . . . . 110 LEU C . 16864 1 872 . 1 1 107 107 LEU CA C 13 55.674 0.30 . . . . . . 110 LEU CA . 16864 1 873 . 1 1 107 107 LEU CB C 13 41.608 0.30 . . . . . . 110 LEU CB . 16864 1 874 . 1 1 107 107 LEU CG C 13 26.030 0.30 . . . . . . 110 LEU CG . 16864 1 875 . 1 1 107 107 LEU CD1 C 13 24.830 0.30 . . . . . . 110 LEU CD1 . 16864 1 876 . 1 1 107 107 LEU N N 15 123.228 0.30 . . . . . . 110 LEU N . 16864 1 877 . 1 1 108 108 HIS H H 1 9.310 0.02 . . . . . . 111 HIS H . 16864 1 878 . 1 1 108 108 HIS HA H 1 4.722 0.02 . . . . . . 111 HIS HA . 16864 1 879 . 1 1 108 108 HIS HB2 H 1 3.527 0.02 . . . . . . 111 HIS HB2 . 16864 1 880 . 1 1 108 108 HIS C C 13 173.762 0.30 . . . . . . 111 HIS C . 16864 1 881 . 1 1 108 108 HIS CA C 13 56.182 0.30 . . . . . . 111 HIS CA . 16864 1 882 . 1 1 108 108 HIS CB C 13 31.029 0.30 . . . . . . 111 HIS CB . 16864 1 883 . 1 1 108 108 HIS N N 15 124.271 0.30 . . . . . . 111 HIS N . 16864 1 884 . 1 1 109 109 ALA H H 1 7.785 0.02 . . . . . . 112 ALA H . 16864 1 885 . 1 1 109 109 ALA HA H 1 4.542 0.02 . . . . . . 112 ALA HA . 16864 1 886 . 1 1 109 109 ALA HB1 H 1 1.168 0.02 . . . . . . 112 ALA HB . 16864 1 887 . 1 1 109 109 ALA HB2 H 1 1.168 0.02 . . . . . . 112 ALA HB . 16864 1 888 . 1 1 109 109 ALA HB3 H 1 1.168 0.02 . . . . . . 112 ALA HB . 16864 1 889 . 1 1 109 109 ALA C C 13 172.630 0.30 . . . . . . 112 ALA C . 16864 1 890 . 1 1 109 109 ALA CA C 13 51.207 0.30 . . . . . . 112 ALA CA . 16864 1 891 . 1 1 109 109 ALA CB C 13 22.285 0.30 . . . . . . 112 ALA CB . 16864 1 892 . 1 1 109 109 ALA N N 15 119.260 0.30 . . . . . . 112 ALA N . 16864 1 893 . 1 1 110 110 LEU H H 1 8.586 0.02 . . . . . . 113 LEU H . 16864 1 894 . 1 1 110 110 LEU HA H 1 4.444 0.02 . . . . . . 113 LEU HA . 16864 1 895 . 1 1 110 110 LEU HB2 H 1 1.610 0.02 . . . . . . 113 LEU HB2 . 16864 1 896 . 1 1 110 110 LEU HB3 H 1 1.580 0.02 . . . . . . 113 LEU HB3 . 16864 1 897 . 1 1 110 110 LEU HG H 1 1.470 0.02 . . . . . . 113 LEU HG . 16864 1 898 . 1 1 110 110 LEU HD11 H 1 0.740 0.02 . . . . . . 113 LEU HD1 . 16864 1 899 . 1 1 110 110 LEU HD12 H 1 0.740 0.02 . . . . . . 113 LEU HD1 . 16864 1 900 . 1 1 110 110 LEU HD13 H 1 0.740 0.02 . . . . . . 113 LEU HD1 . 16864 1 901 . 1 1 110 110 LEU C C 13 173.386 0.30 . . . . . . 113 LEU C . 16864 1 902 . 1 1 110 110 LEU CA C 13 51.953 0.30 . . . . . . 113 LEU CA . 16864 1 903 . 1 1 110 110 LEU CB C 13 46.199 0.30 . . . . . . 113 LEU CB . 16864 1 904 . 1 1 110 110 LEU CG C 13 26.890 0.30 . . . . . . 113 LEU CG . 16864 1 905 . 1 1 110 110 LEU CD1 C 13 24.360 0.30 . . . . . . 113 LEU CD1 . 16864 1 906 . 1 1 110 110 LEU CD2 C 13 24.110 0.30 . . . . . . 113 LEU CD2 . 16864 1 907 . 1 1 110 110 LEU N N 15 120.054 0.30 . . . . . . 113 LEU N . 16864 1 908 . 1 1 111 111 SER H H 1 8.453 0.02 . . . . . . 114 SER H . 16864 1 909 . 1 1 111 111 SER HA H 1 4.739 0.02 . . . . . . 114 SER HA . 16864 1 910 . 1 1 111 111 SER HB2 H 1 3.756 0.02 . . . . . . 114 SER HB2 . 16864 1 911 . 1 1 111 111 SER HG H 1 5.260 0.02 . . . . . . 114 SER HG . 16864 1 912 . 1 1 111 111 SER C C 13 173.379 0.30 . . . . . . 114 SER C . 16864 1 913 . 1 1 111 111 SER CA C 13 55.998 0.30 . . . . . . 114 SER CA . 16864 1 914 . 1 1 111 111 SER CB C 13 62.680 0.30 . . . . . . 114 SER CB . 16864 1 915 . 1 1 111 111 SER N N 15 119.708 0.30 . . . . . . 114 SER N . 16864 1 916 . 1 1 112 112 MET H H 1 9.006 0.02 . . . . . . 115 MET H . 16864 1 917 . 1 1 112 112 MET HA H 1 4.675 0.02 . . . . . . 115 MET HA . 16864 1 918 . 1 1 112 112 MET HB2 H 1 2.120 0.02 . . . . . . 115 MET HB2 . 16864 1 919 . 1 1 112 112 MET HB3 H 1 1.980 0.02 . . . . . . 115 MET HB3 . 16864 1 920 . 1 1 112 112 MET HG2 H 1 2.370 0.02 . . . . . . 115 MET HG2 . 16864 1 921 . 1 1 112 112 MET HE1 H 1 1.730 0.02 . . . . . . 115 MET HE . 16864 1 922 . 1 1 112 112 MET HE2 H 1 1.730 0.02 . . . . . . 115 MET HE . 16864 1 923 . 1 1 112 112 MET HE3 H 1 1.730 0.02 . . . . . . 115 MET HE . 16864 1 924 . 1 1 112 112 MET C C 13 173.368 0.30 . . . . . . 115 MET C . 16864 1 925 . 1 1 112 112 MET CA C 13 54.578 0.30 . . . . . . 115 MET CA . 16864 1 926 . 1 1 112 112 MET CB C 13 36.892 0.30 . . . . . . 115 MET CB . 16864 1 927 . 1 1 112 112 MET CG C 13 32.680 0.30 . . . . . . 115 MET CG . 16864 1 928 . 1 1 112 112 MET CE C 13 17.560 0.30 . . . . . . 115 MET CE . 16864 1 929 . 1 1 112 112 MET N N 15 125.219 0.30 . . . . . . 115 MET N . 16864 1 930 . 1 1 113 113 THR H H 1 8.522 0.02 . . . . . . 116 THR H . 16864 1 931 . 1 1 113 113 THR HA H 1 4.473 0.02 . . . . . . 116 THR HA . 16864 1 932 . 1 1 113 113 THR HB H 1 3.936 0.02 . . . . . . 116 THR HB . 16864 1 933 . 1 1 113 113 THR HG1 H 1 5.197 0.02 . . . . . . 116 THR HG1 . 16864 1 934 . 1 1 113 113 THR HG21 H 1 1.119 0.02 . . . . . . 116 THR HG2 . 16864 1 935 . 1 1 113 113 THR HG22 H 1 1.119 0.02 . . . . . . 116 THR HG2 . 16864 1 936 . 1 1 113 113 THR HG23 H 1 1.119 0.02 . . . . . . 116 THR HG2 . 16864 1 937 . 1 1 113 113 THR C C 13 172.454 0.30 . . . . . . 116 THR C . 16864 1 938 . 1 1 113 113 THR CA C 13 61.705 0.30 . . . . . . 116 THR CA . 16864 1 939 . 1 1 113 113 THR CB C 13 69.705 0.30 . . . . . . 116 THR CB . 16864 1 940 . 1 1 113 113 THR CG2 C 13 21.780 0.30 . . . . . . 116 THR CG2 . 16864 1 941 . 1 1 113 113 THR N N 15 119.267 0.30 . . . . . . 116 THR N . 16864 1 942 . 1 1 114 114 THR H H 1 8.941 0.02 . . . . . . 117 THR H . 16864 1 943 . 1 1 114 114 THR HA H 1 4.672 0.02 . . . . . . 117 THR HA . 16864 1 944 . 1 1 114 114 THR HG1 H 1 5.340 0.02 . . . . . . 117 THR HG1 . 16864 1 945 . 1 1 114 114 THR HG21 H 1 1.420 0.02 . . . . . . 117 THR HG2 . 16864 1 946 . 1 1 114 114 THR HG22 H 1 1.420 0.02 . . . . . . 117 THR HG2 . 16864 1 947 . 1 1 114 114 THR HG23 H 1 1.420 0.02 . . . . . . 117 THR HG2 . 16864 1 948 . 1 1 114 114 THR C C 13 173.469 0.30 . . . . . . 117 THR C . 16864 1 949 . 1 1 114 114 THR CA C 13 55.800 0.30 . . . . . . 117 THR CA . 16864 1 950 . 1 1 114 114 THR CB C 13 68.989 0.30 . . . . . . 117 THR CB . 16864 1 951 . 1 1 114 114 THR CG2 C 13 21.230 0.30 . . . . . . 117 THR CG2 . 16864 1 952 . 1 1 114 114 THR N N 15 117.477 0.30 . . . . . . 117 THR N . 16864 1 953 . 1 1 115 115 LYS H H 1 8.496 0.02 . . . . . . 118 LYS H . 16864 1 954 . 1 1 115 115 LYS HA H 1 4.876 0.02 . . . . . . 118 LYS HA . 16864 1 955 . 1 1 115 115 LYS HB2 H 1 1.660 0.02 . . . . . . 118 LYS HB2 . 16864 1 956 . 1 1 115 115 LYS HG2 H 1 1.540 0.02 . . . . . . 118 LYS HG2 . 16864 1 957 . 1 1 115 115 LYS HD2 H 1 1.290 0.02 . . . . . . 118 LYS HD2 . 16864 1 958 . 1 1 115 115 LYS HE2 H 1 2.690 0.02 . . . . . . 118 LYS HE2 . 16864 1 959 . 1 1 115 115 LYS C C 13 173.836 0.30 . . . . . . 118 LYS C . 16864 1 960 . 1 1 115 115 LYS CA C 13 54.142 0.30 . . . . . . 118 LYS CA . 16864 1 961 . 1 1 115 115 LYS CB C 13 36.301 0.30 . . . . . . 118 LYS CB . 16864 1 962 . 1 1 115 115 LYS CG C 13 24.980 0.30 . . . . . . 118 LYS CG . 16864 1 963 . 1 1 115 115 LYS CD C 13 28.100 0.30 . . . . . . 118 LYS CD . 16864 1 964 . 1 1 115 115 LYS CE C 13 42.190 0.30 . . . . . . 118 LYS CE . 16864 1 965 . 1 1 115 115 LYS N N 15 125.448 0.30 . . . . . . 118 LYS N . 16864 1 966 . 1 1 116 116 THR H H 1 8.471 0.02 . . . . . . 119 THR H . 16864 1 967 . 1 1 116 116 THR HA H 1 4.018 0.02 . . . . . . 119 THR HA . 16864 1 968 . 1 1 116 116 THR HG1 H 1 5.077 0.02 . . . . . . 119 THR HG1 . 16864 1 969 . 1 1 116 116 THR HG21 H 1 1.512 0.02 . . . . . . 119 THR HG2 . 16864 1 970 . 1 1 116 116 THR HG22 H 1 1.512 0.02 . . . . . . 119 THR HG2 . 16864 1 971 . 1 1 116 116 THR HG23 H 1 1.512 0.02 . . . . . . 119 THR HG2 . 16864 1 972 . 1 1 116 116 THR C C 13 173.611 0.30 . . . . . . 119 THR C . 16864 1 973 . 1 1 116 116 THR CA C 13 58.562 0.30 . . . . . . 119 THR CA . 16864 1 974 . 1 1 116 116 THR CB C 13 67.023 0.30 . . . . . . 119 THR CB . 16864 1 975 . 1 1 116 116 THR CG2 C 13 21.860 0.30 . . . . . . 119 THR CG2 . 16864 1 976 . 1 1 116 116 THR N N 15 112.027 0.30 . . . . . . 119 THR N . 16864 1 977 . 1 1 117 117 PRO C C 13 175.086 0.30 . . . . . . 120 PRO C . 16864 1 978 . 1 1 117 117 PRO CA C 13 64.417 0.30 . . . . . . 120 PRO CA . 16864 1 979 . 1 1 117 117 PRO CB C 13 30.514 0.30 . . . . . . 120 PRO CB . 16864 1 980 . 1 1 118 118 ALA H H 1 7.557 0.02 . . . . . . 121 ALA H . 16864 1 981 . 1 1 118 118 ALA HA H 1 4.171 0.02 . . . . . . 121 ALA HA . 16864 1 982 . 1 1 118 118 ALA HB1 H 1 1.317 0.02 . . . . . . 121 ALA HB . 16864 1 983 . 1 1 118 118 ALA HB2 H 1 1.317 0.02 . . . . . . 121 ALA HB . 16864 1 984 . 1 1 118 118 ALA HB3 H 1 1.317 0.02 . . . . . . 121 ALA HB . 16864 1 985 . 1 1 118 118 ALA C C 13 176.495 0.30 . . . . . . 121 ALA C . 16864 1 986 . 1 1 118 118 ALA CA C 13 51.959 0.30 . . . . . . 121 ALA CA . 16864 1 987 . 1 1 118 118 ALA CB C 13 18.395 0.30 . . . . . . 121 ALA CB . 16864 1 988 . 1 1 118 118 ALA N N 15 116.789 0.30 . . . . . . 121 ALA N . 16864 1 989 . 1 1 119 119 GLU H H 1 7.376 0.02 . . . . . . 122 GLU H . 16864 1 990 . 1 1 119 119 GLU HA H 1 4.062 0.02 . . . . . . 122 GLU HA . 16864 1 991 . 1 1 119 119 GLU HB2 H 1 2.233 0.02 . . . . . . 122 GLU HB2 . 16864 1 992 . 1 1 119 119 GLU C C 13 174.064 0.30 . . . . . . 122 GLU C . 16864 1 993 . 1 1 119 119 GLU CA C 13 55.236 0.30 . . . . . . 122 GLU CA . 16864 1 994 . 1 1 119 119 GLU CB C 13 29.745 0.30 . . . . . . 122 GLU CB . 16864 1 995 . 1 1 119 119 GLU N N 15 119.165 0.30 . . . . . . 122 GLU N . 16864 1 996 . 1 1 120 120 GLN H H 1 7.720 0.02 . . . . . . 123 GLN H . 16864 1 997 . 1 1 120 120 GLN HA H 1 3.858 0.02 . . . . . . 123 GLN HA . 16864 1 998 . 1 1 120 120 GLN HB2 H 1 2.186 0.02 . . . . . . 123 GLN HB2 . 16864 1 999 . 1 1 120 120 GLN HB3 H 1 1.878 0.02 . . . . . . 123 GLN HB3 . 16864 1 1000 . 1 1 120 120 GLN HE21 H 1 7.446 0.02 . . . . . . 123 GLN HE21 . 16864 1 1001 . 1 1 120 120 GLN HE22 H 1 6.760 0.02 . . . . . . 123 GLN HE22 . 16864 1 1002 . 1 1 120 120 GLN C C 13 179.073 0.30 . . . . . . 123 GLN C . 16864 1 1003 . 1 1 120 120 GLN CA C 13 57.193 0.30 . . . . . . 123 GLN CA . 16864 1 1004 . 1 1 120 120 GLN CB C 13 29.248 0.30 . . . . . . 123 GLN CB . 16864 1 1005 . 1 1 120 120 GLN N N 15 125.445 0.30 . . . . . . 123 GLN N . 16864 1 1006 . 1 1 120 120 GLN NE2 N 15 112.625 0.30 . . . . . . 123 GLN NE2 . 16864 1 stop_ save_