data_5573 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5573 _Entry.Title ; Spruce budworm Antifreeze Protein: Changes in Structure and Dynamics at Low Temperature ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-11-04 _Entry.Accession_date 2002-11-04 _Entry.Last_release_date 2003-05-14 _Entry.Original_release_date 2003-05-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Steffen Graether . P. . 5573 2 Stephane Gagne . M. . 5573 3 Leo Spyracopoulos . . . 5573 4 Zongchao Jia . . . 5573 5 Brian Sykes . D. . 5573 6 Peter Davies . L. . 5573 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5573 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 467 5573 '13C chemical shifts' 316 5573 '15N chemical shifts' 82 5573 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-05-14 2002-11-04 original author . 5573 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5572 'Spruce budworm antifreeze protein (30 C)' 5573 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5573 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22549853 _Citation.DOI . _Citation.PubMed_ID 12662938 _Citation.Full_citation . _Citation.Title ; Spruce Budworm Antifreeze Protein: Changes in Structure and Dynamics at Low Temperature ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 327 _Citation.Journal_issue 5 _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 1155 _Citation.Page_last 1168 _Citation.Year 2003 _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 Steffen Graether . P. . 5573 1 2 Stephane Gagne . M. . 5573 1 3 Leo Spyracopoulos . . . 5573 1 4 Zongchao Jia . . . 5573 1 5 Peter Davies . L. . 5573 1 6 Brian Sykes . D. . 5573 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID antifreeze 5573 1 ice 5573 1 beta-helix 5573 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5573 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 10917537 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Graether S., Kuiper M., Gagne S., Walker V., Jia Z., Sykes B., and Davies P., Beta-helix structure and ice-binding properties of a hyperactive antifreeze protein from an insect. Nature 2000 Jul 20;406(6793): 325-328 ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_sbwAFP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_sbwAFP _Assembly.Entry_ID 5573 _Assembly.ID 1 _Assembly.Name 'spruce budworm antifreeze protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5573 1 stop_ 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 sbwAFP 1 $sbwAFP . . . native . . . . . 5573 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . . CYS 4 4 SG . 1 . 1 CYS 17 17 SG . . . . . . . . . . 5573 1 2 disulfide single . 1 . . CYS 25 25 SG . 1 . 1 CYS 37 37 SG . . . . . . . . . . 5573 1 3 disulfide single . 1 . . CYS 62 62 SG . 1 . 1 CYS 85 85 SG . . . . . . . . . . 5573 1 4 disulfide single . 1 . . CYS 67 67 SG . 1 . 1 CYS 80 80 SG . . . . . . . . . . 5573 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . GENBANK AF263009 . . . . . . 5573 1 . PDB 1N4I . . . . . . 5573 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'spruce budworm antifreeze protein' system 5573 1 sbwAFP abbreviation 5573 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ice growth inhibition' 5573 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_sbwAFP _Entity.Sf_category entity _Entity.Sf_framecode sbwAFP _Entity.Entry_ID 5573 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'spruce budworm antifreeze protein' _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 ; DGSCTNTNSQLSANSKCEKS TLTNCYVDKSEVYGTTCTGS RFDGVTITTSTSTGSRISGP GCKISTCIITGGVPAPSAAC KISGCTFSAN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-01-28 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 5572 . sbwAFP . . . . . 100.00 90 100.00 100.00 1.05e-53 . . . . 5573 1 2 no PDB 1EWW . "Solution Structure Of Spruce Budworm Antifreeze Protein At 30 Degrees Celsius" . . . . . 100.00 90 100.00 100.00 1.05e-53 . . . . 5573 1 3 no PDB 1L0S . "Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337" . . . . . 100.00 90 97.78 98.89 7.62e-52 . . . . 5573 1 4 no PDB 1N4I . "Solution Structure Of Spruce Budworm Antifreeze Protein At 5 Degrees Celsius" . . . . . 100.00 90 100.00 100.00 1.05e-53 . . . . 5573 1 5 no GB AAG32660 . "thermal hysteresis protein precursor [Choristoneura fumiferana]" . . . . . 100.00 108 100.00 100.00 2.80e-54 . . . . 5573 1 6 no GB AAG33032 . "thermal hysteresis protein [synthetic construct]" . . . . . 100.00 91 100.00 100.00 9.63e-54 . . . . 5573 1 7 no GB AAG33033 . "PR-S/thermal hysteresis protein fusion protein [synthetic construct]" . . . . . 100.00 115 100.00 100.00 7.65e-54 . . . . 5573 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'spruce budworm antifreeze protein' common 5573 1 'Choristoneura fumiferana antifreeze protein' variant 5573 1 sbwAFP abbreviation 5573 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 . ASP . 5573 1 2 . GLY . 5573 1 3 . SER . 5573 1 4 . CYS . 5573 1 5 . THR . 5573 1 6 . ASN . 5573 1 7 . THR . 5573 1 8 . ASN . 5573 1 9 . SER . 5573 1 10 . GLN . 5573 1 11 . LEU . 5573 1 12 . SER . 5573 1 13 . ALA . 5573 1 14 . ASN . 5573 1 15 . SER . 5573 1 16 . LYS . 5573 1 17 . CYS . 5573 1 18 . GLU . 5573 1 19 . LYS . 5573 1 20 . SER . 5573 1 21 . THR . 5573 1 22 . LEU . 5573 1 23 . THR . 5573 1 24 . ASN . 5573 1 25 . CYS . 5573 1 26 . TYR . 5573 1 27 . VAL . 5573 1 28 . ASP . 5573 1 29 . LYS . 5573 1 30 . SER . 5573 1 31 . GLU . 5573 1 32 . VAL . 5573 1 33 . TYR . 5573 1 34 . GLY . 5573 1 35 . THR . 5573 1 36 . THR . 5573 1 37 . CYS . 5573 1 38 . THR . 5573 1 39 . GLY . 5573 1 40 . SER . 5573 1 41 . ARG . 5573 1 42 . PHE . 5573 1 43 . ASP . 5573 1 44 . GLY . 5573 1 45 . VAL . 5573 1 46 . THR . 5573 1 47 . ILE . 5573 1 48 . THR . 5573 1 49 . THR . 5573 1 50 . SER . 5573 1 51 . THR . 5573 1 52 . SER . 5573 1 53 . THR . 5573 1 54 . GLY . 5573 1 55 . SER . 5573 1 56 . ARG . 5573 1 57 . ILE . 5573 1 58 . SER . 5573 1 59 . GLY . 5573 1 60 . PRO . 5573 1 61 . GLY . 5573 1 62 . CYS . 5573 1 63 . LYS . 5573 1 64 . ILE . 5573 1 65 . SER . 5573 1 66 . THR . 5573 1 67 . CYS . 5573 1 68 . ILE . 5573 1 69 . ILE . 5573 1 70 . THR . 5573 1 71 . GLY . 5573 1 72 . GLY . 5573 1 73 . VAL . 5573 1 74 . PRO . 5573 1 75 . ALA . 5573 1 76 . PRO . 5573 1 77 . SER . 5573 1 78 . ALA . 5573 1 79 . ALA . 5573 1 80 . CYS . 5573 1 81 . LYS . 5573 1 82 . ILE . 5573 1 83 . SER . 5573 1 84 . GLY . 5573 1 85 . CYS . 5573 1 86 . THR . 5573 1 87 . PHE . 5573 1 88 . SER . 5573 1 89 . ALA . 5573 1 90 . ASN . 5573 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 . ASP 1 1 5573 1 . GLY 2 2 5573 1 . SER 3 3 5573 1 . CYS 4 4 5573 1 . THR 5 5 5573 1 . ASN 6 6 5573 1 . THR 7 7 5573 1 . ASN 8 8 5573 1 . SER 9 9 5573 1 . GLN 10 10 5573 1 . LEU 11 11 5573 1 . SER 12 12 5573 1 . ALA 13 13 5573 1 . ASN 14 14 5573 1 . SER 15 15 5573 1 . LYS 16 16 5573 1 . CYS 17 17 5573 1 . GLU 18 18 5573 1 . LYS 19 19 5573 1 . SER 20 20 5573 1 . THR 21 21 5573 1 . LEU 22 22 5573 1 . THR 23 23 5573 1 . ASN 24 24 5573 1 . CYS 25 25 5573 1 . TYR 26 26 5573 1 . VAL 27 27 5573 1 . ASP 28 28 5573 1 . LYS 29 29 5573 1 . SER 30 30 5573 1 . GLU 31 31 5573 1 . VAL 32 32 5573 1 . TYR 33 33 5573 1 . GLY 34 34 5573 1 . THR 35 35 5573 1 . THR 36 36 5573 1 . CYS 37 37 5573 1 . THR 38 38 5573 1 . GLY 39 39 5573 1 . SER 40 40 5573 1 . ARG 41 41 5573 1 . PHE 42 42 5573 1 . ASP 43 43 5573 1 . GLY 44 44 5573 1 . VAL 45 45 5573 1 . THR 46 46 5573 1 . ILE 47 47 5573 1 . THR 48 48 5573 1 . THR 49 49 5573 1 . SER 50 50 5573 1 . THR 51 51 5573 1 . SER 52 52 5573 1 . THR 53 53 5573 1 . GLY 54 54 5573 1 . SER 55 55 5573 1 . ARG 56 56 5573 1 . ILE 57 57 5573 1 . SER 58 58 5573 1 . GLY 59 59 5573 1 . PRO 60 60 5573 1 . GLY 61 61 5573 1 . CYS 62 62 5573 1 . LYS 63 63 5573 1 . ILE 64 64 5573 1 . SER 65 65 5573 1 . THR 66 66 5573 1 . CYS 67 67 5573 1 . ILE 68 68 5573 1 . ILE 69 69 5573 1 . THR 70 70 5573 1 . GLY 71 71 5573 1 . GLY 72 72 5573 1 . VAL 73 73 5573 1 . PRO 74 74 5573 1 . ALA 75 75 5573 1 . PRO 76 76 5573 1 . SER 77 77 5573 1 . ALA 78 78 5573 1 . ALA 79 79 5573 1 . CYS 80 80 5573 1 . LYS 81 81 5573 1 . ILE 82 82 5573 1 . SER 83 83 5573 1 . GLY 84 84 5573 1 . CYS 85 85 5573 1 . THR 86 86 5573 1 . PHE 87 87 5573 1 . SER 88 88 5573 1 . ALA 89 89 5573 1 . ASN 90 90 5573 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 5573 _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 $sbwAFP . 7141 organism . 'Choristoneura fumiferana' 'Spruce budworm' . . Eukaryota Metazoa Choristoneura fumiferana . . . . . . . . . . . . . . . . . . . . . 5573 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 5573 _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 $sbwAFP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5573 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5573 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'spruce budworm antifreeze protein' '[U-15N; U-13C]' . . 1 $sbwAFP . . 18 . . mM . . . . 5573 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5573 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 0.25 n/a 5573 1 temperature 298 0.1 K 5573 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 5573 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer . _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength . save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5573 _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 . . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 5573 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5573 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5573 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5573 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5573 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5573 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5573 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 1 1 ASP HB2 H 1 2.74 0.05 . 1 . . . . . . . . 5573 1 2 . 1 1 1 1 ASP HB3 H 1 2.82 0.05 . 1 . . . . . . . . 5573 1 3 . 1 1 1 1 ASP C C 13 176.69 0.60 . 1 . . . . . . . . 5573 1 4 . 1 1 1 1 ASP CA C 13 54.51 0.60 . 1 . . . . . . . . 5573 1 5 . 1 1 1 1 ASP CB C 13 41.50 0.60 . 1 . . . . . . . . 5573 1 6 . 1 1 2 2 GLY H H 1 8.74 0.05 . 1 . . . . . . . . 5573 1 7 . 1 1 2 2 GLY HA2 H 1 4.07 0.05 . 1 . . . . . . . . 5573 1 8 . 1 1 2 2 GLY HA3 H 1 4.14 0.05 . 1 . . . . . . . . 5573 1 9 . 1 1 2 2 GLY C C 13 174.60 0.60 . 1 . . . . . . . . 5573 1 10 . 1 1 2 2 GLY CA C 13 45.77 0.60 . 1 . . . . . . . . 5573 1 11 . 1 1 2 2 GLY N N 15 110.72 0.60 . 1 . . . . . . . . 5573 1 12 . 1 1 3 3 SER H H 1 8.90 0.05 . 1 . . . . . . . . 5573 1 13 . 1 1 3 3 SER HA H 1 4.69 0.05 . 1 . . . . . . . . 5573 1 14 . 1 1 3 3 SER HB2 H 1 4.26 0.05 . 1 . . . . . . . . 5573 1 15 . 1 1 3 3 SER HB3 H 1 4.26 0.05 . 1 . . . . . . . . 5573 1 16 . 1 1 3 3 SER CA C 13 57.86 0.60 . 1 . . . . . . . . 5573 1 17 . 1 1 3 3 SER N N 15 115.62 0.60 . 1 . . . . . . . . 5573 1 18 . 1 1 4 4 CYS HB2 H 1 2.40 0.05 . 1 . . . . . . . . 5573 1 19 . 1 1 4 4 CYS HB3 H 1 3.06 0.05 . 1 . . . . . . . . 5573 1 20 . 1 1 4 4 CYS C C 13 175.22 0.60 . 1 . . . . . . . . 5573 1 21 . 1 1 4 4 CYS CA C 13 52.15 0.60 . 1 . . . . . . . . 5573 1 22 . 1 1 4 4 CYS CB C 13 39.73 0.60 . 1 . . . . . . . . 5573 1 23 . 1 1 5 5 THR H H 1 9.11 0.05 . 1 . . . . . . . . 5573 1 24 . 1 1 5 5 THR HA H 1 4.50 0.05 . 1 . . . . . . . . 5573 1 25 . 1 1 5 5 THR HB H 1 4.13 0.05 . 1 . . . . . . . . 5573 1 26 . 1 1 5 5 THR HG21 H 1 1.28 0.05 . 1 . . . . . . . . 5573 1 27 . 1 1 5 5 THR HG22 H 1 1.28 0.05 . 1 . . . . . . . . 5573 1 28 . 1 1 5 5 THR HG23 H 1 1.28 0.05 . 1 . . . . . . . . 5573 1 29 . 1 1 5 5 THR C C 13 174.42 0.60 . 1 . . . . . . . . 5573 1 30 . 1 1 5 5 THR CA C 13 61.94 0.60 . 1 . . . . . . . . 5573 1 31 . 1 1 5 5 THR CB C 13 69.31 0.60 . 1 . . . . . . . . 5573 1 32 . 1 1 5 5 THR CG2 C 13 21.59 0.60 . 1 . . . . . . . . 5573 1 33 . 1 1 5 5 THR N N 15 122.81 0.60 . 1 . . . . . . . . 5573 1 34 . 1 1 6 6 ASN HB2 H 1 1.20 0.05 . 1 . . . . . . . . 5573 1 35 . 1 1 6 6 ASN HB3 H 1 1.99 0.05 . 1 . . . . . . . . 5573 1 36 . 1 1 6 6 ASN CB C 13 43.91 0.60 . 1 . . . . . . . . 5573 1 37 . 1 1 7 7 THR HB H 1 4.32 0.05 . 1 . . . . . . . . 5573 1 38 . 1 1 7 7 THR CB C 13 69.69 0.60 . 1 . . . . . . . . 5573 1 39 . 1 1 8 8 ASN HA H 1 4.42 0.05 . 1 . . . . . . . . 5573 1 40 . 1 1 8 8 ASN HB2 H 1 2.62 0.05 . 1 . . . . . . . . 5573 1 41 . 1 1 8 8 ASN HB3 H 1 3.33 0.05 . 1 . . . . . . . . 5573 1 42 . 1 1 8 8 ASN HD21 H 1 7.80 0.05 . 1 . . . . . . . . 5573 1 43 . 1 1 8 8 ASN HD22 H 1 6.94 0.05 . 1 . . . . . . . . 5573 1 44 . 1 1 8 8 ASN C C 13 173.81 0.60 . 1 . . . . . . . . 5573 1 45 . 1 1 8 8 ASN CA C 13 54.32 0.60 . 1 . . . . . . . . 5573 1 46 . 1 1 8 8 ASN CB C 13 37.90 0.60 . 1 . . . . . . . . 5573 1 47 . 1 1 9 9 SER H H 1 8.47 0.05 . 1 . . . . . . . . 5573 1 48 . 1 1 9 9 SER HA H 1 5.28 0.05 . 1 . . . . . . . . 5573 1 49 . 1 1 9 9 SER HB2 H 1 3.36 0.05 . 1 . . . . . . . . 5573 1 50 . 1 1 9 9 SER HB3 H 1 3.36 0.05 . 1 . . . . . . . . 5573 1 51 . 1 1 9 9 SER C C 13 172.61 0.60 . 1 . . . . . . . . 5573 1 52 . 1 1 9 9 SER CA C 13 57.77 0.60 . 1 . . . . . . . . 5573 1 53 . 1 1 9 9 SER CB C 13 65.63 0.60 . 1 . . . . . . . . 5573 1 54 . 1 1 9 9 SER N N 15 110.07 0.60 . 1 . . . . . . . . 5573 1 55 . 1 1 10 10 GLN H H 1 8.28 0.05 . 1 . . . . . . . . 5573 1 56 . 1 1 10 10 GLN HA H 1 4.52 0.05 . 1 . . . . . . . . 5573 1 57 . 1 1 10 10 GLN HB2 H 1 1.92 0.05 . 1 . . . . . . . . 5573 1 58 . 1 1 10 10 GLN HB3 H 1 1.92 0.05 . 1 . . . . . . . . 5573 1 59 . 1 1 10 10 GLN HG2 H 1 2.26 0.05 . 1 . . . . . . . . 5573 1 60 . 1 1 10 10 GLN HG3 H 1 2.26 0.05 . 1 . . . . . . . . 5573 1 61 . 1 1 10 10 GLN HE21 H 1 7.50 0.05 . 1 . . . . . . . . 5573 1 62 . 1 1 10 10 GLN HE22 H 1 7.12 0.05 . 1 . . . . . . . . 5573 1 63 . 1 1 10 10 GLN C C 13 172.84 0.60 . 1 . . . . . . . . 5573 1 64 . 1 1 10 10 GLN CA C 13 54.54 0.60 . 1 . . . . . . . . 5573 1 65 . 1 1 10 10 GLN CB C 13 30.29 0.60 . 1 . . . . . . . . 5573 1 66 . 1 1 10 10 GLN CG C 13 33.56 0.60 . 1 . . . . . . . . 5573 1 67 . 1 1 10 10 GLN N N 15 123.15 0.60 . 1 . . . . . . . . 5573 1 68 . 1 1 11 11 LEU H H 1 8.75 0.05 . 1 . . . . . . . . 5573 1 69 . 1 1 11 11 LEU HA H 1 4.75 0.05 . 1 . . . . . . . . 5573 1 70 . 1 1 11 11 LEU HB2 H 1 0.88 0.05 . 1 . . . . . . . . 5573 1 71 . 1 1 11 11 LEU HB3 H 1 1.80 0.05 . 1 . . . . . . . . 5573 1 72 . 1 1 11 11 LEU HG H 1 1.48 0.05 . 1 . . . . . . . . 5573 1 73 . 1 1 11 11 LEU HD11 H 1 0.71 0.05 . 1 . . . . . . . . 5573 1 74 . 1 1 11 11 LEU HD12 H 1 0.71 0.05 . 1 . . . . . . . . 5573 1 75 . 1 1 11 11 LEU HD13 H 1 0.71 0.05 . 1 . . . . . . . . 5573 1 76 . 1 1 11 11 LEU HD21 H 1 0.87 0.05 . 1 . . . . . . . . 5573 1 77 . 1 1 11 11 LEU HD22 H 1 0.87 0.05 . 1 . . . . . . . . 5573 1 78 . 1 1 11 11 LEU HD23 H 1 0.87 0.05 . 1 . . . . . . . . 5573 1 79 . 1 1 11 11 LEU C C 13 175.71 0.60 . 1 . . . . . . . . 5573 1 80 . 1 1 11 11 LEU CA C 13 53.20 0.60 . 1 . . . . . . . . 5573 1 81 . 1 1 11 11 LEU CB C 13 43.58 0.60 . 1 . . . . . . . . 5573 1 82 . 1 1 11 11 LEU CG C 13 27.17 0.60 . 1 . . . . . . . . 5573 1 83 . 1 1 11 11 LEU CD1 C 13 25.16 0.60 . 1 . . . . . . . . 5573 1 84 . 1 1 11 11 LEU CD2 C 13 23.49 0.60 . 1 . . . . . . . . 5573 1 85 . 1 1 11 11 LEU N N 15 128.05 0.60 . 1 . . . . . . . . 5573 1 86 . 1 1 12 12 SER H H 1 8.49 0.05 . 1 . . . . . . . . 5573 1 87 . 1 1 12 12 SER HA H 1 4.39 0.05 . 1 . . . . . . . . 5573 1 88 . 1 1 12 12 SER HB2 H 1 4.36 0.05 . 1 . . . . . . . . 5573 1 89 . 1 1 12 12 SER HB3 H 1 4.23 0.05 . 1 . . . . . . . . 5573 1 90 . 1 1 12 12 SER C C 13 174.95 0.60 . 1 . . . . . . . . 5573 1 91 . 1 1 12 12 SER CA C 13 58.79 0.60 . 1 . . . . . . . . 5573 1 92 . 1 1 12 12 SER CB C 13 64.54 0.60 . 1 . . . . . . . . 5573 1 93 . 1 1 12 12 SER N N 15 123.33 0.60 . 1 . . . . . . . . 5573 1 94 . 1 1 13 13 ALA H H 1 9.01 0.05 . 1 . . . . . . . . 5573 1 95 . 1 1 13 13 ALA HA H 1 4.28 0.05 . 1 . . . . . . . . 5573 1 96 . 1 1 13 13 ALA HB1 H 1 1.52 0.05 . 1 . . . . . . . . 5573 1 97 . 1 1 13 13 ALA HB2 H 1 1.52 0.05 . 1 . . . . . . . . 5573 1 98 . 1 1 13 13 ALA HB3 H 1 1.52 0.05 . 1 . . . . . . . . 5573 1 99 . 1 1 13 13 ALA C C 13 178.33 0.60 . 1 . . . . . . . . 5573 1 100 . 1 1 13 13 ALA CA C 13 54.43 0.60 . 1 . . . . . . . . 5573 1 101 . 1 1 13 13 ALA CB C 13 18.22 0.60 . 1 . . . . . . . . 5573 1 102 . 1 1 13 13 ALA N N 15 124.11 0.60 . 1 . . . . . . . . 5573 1 103 . 1 1 14 14 ASN H H 1 7.74 0.05 . 1 . . . . . . . . 5573 1 104 . 1 1 14 14 ASN HA H 1 4.68 0.05 . 1 . . . . . . . . 5573 1 105 . 1 1 14 14 ASN HB2 H 1 2.80 0.05 . 1 . . . . . . . . 5573 1 106 . 1 1 14 14 ASN HB3 H 1 3.29 0.05 . 1 . . . . . . . . 5573 1 107 . 1 1 14 14 ASN HD21 H 1 7.88 0.05 . 1 . . . . . . . . 5573 1 108 . 1 1 14 14 ASN HD22 H 1 7.40 0.05 . 1 . . . . . . . . 5573 1 109 . 1 1 14 14 ASN C C 13 176.05 0.60 . 1 . . . . . . . . 5573 1 110 . 1 1 14 14 ASN CA C 13 52.07 0.60 . 1 . . . . . . . . 5573 1 111 . 1 1 14 14 ASN CB C 13 37.44 0.60 . 1 . . . . . . . . 5573 1 112 . 1 1 14 14 ASN N N 15 111.30 0.60 . 1 . . . . . . . . 5573 1 113 . 1 1 14 14 ASN ND2 N 15 114.17 0.60 . 1 . . . . . . . . 5573 1 114 . 1 1 15 15 SER H H 1 7.64 0.05 . 1 . . . . . . . . 5573 1 115 . 1 1 15 15 SER HA H 1 5.25 0.05 . 1 . . . . . . . . 5573 1 116 . 1 1 15 15 SER HB2 H 1 3.60 0.05 . 1 . . . . . . . . 5573 1 117 . 1 1 15 15 SER HB3 H 1 3.95 0.05 . 1 . . . . . . . . 5573 1 118 . 1 1 15 15 SER C C 13 172.87 0.60 . 1 . . . . . . . . 5573 1 119 . 1 1 15 15 SER CA C 13 59.46 0.60 . 1 . . . . . . . . 5573 1 120 . 1 1 15 15 SER CB C 13 66.28 0.60 . 1 . . . . . . . . 5573 1 121 . 1 1 15 15 SER N N 15 116.83 0.60 . 1 . . . . . . . . 5573 1 122 . 1 1 16 16 LYS H H 1 8.62 0.05 . 1 . . . . . . . . 5573 1 123 . 1 1 16 16 LYS HA H 1 4.74 0.05 . 1 . . . . . . . . 5573 1 124 . 1 1 16 16 LYS HB2 H 1 1.54 0.05 . 1 . . . . . . . . 5573 1 125 . 1 1 16 16 LYS HB3 H 1 1.82 0.05 . 1 . . . . . . . . 5573 1 126 . 1 1 16 16 LYS HG2 H 1 1.38 0.05 . 1 . . . . . . . . 5573 1 127 . 1 1 16 16 LYS HG3 H 1 1.50 0.05 . 1 . . . . . . . . 5573 1 128 . 1 1 16 16 LYS HD2 H 1 1.53 0.05 . 1 . . . . . . . . 5573 1 129 . 1 1 16 16 LYS HD3 H 1 1.53 0.05 . 1 . . . . . . . . 5573 1 130 . 1 1 16 16 LYS C C 13 175.10 0.60 . 1 . . . . . . . . 5573 1 131 . 1 1 16 16 LYS CA C 13 54.70 0.60 . 1 . . . . . . . . 5573 1 132 . 1 1 16 16 LYS CB C 13 36.44 0.60 . 1 . . . . . . . . 5573 1 133 . 1 1 16 16 LYS CG C 13 25.23 0.60 . 1 . . . . . . . . 5573 1 134 . 1 1 16 16 LYS N N 15 121.16 0.60 . 1 . . . . . . . . 5573 1 135 . 1 1 17 17 CYS H H 1 9.06 0.05 . 1 . . . . . . . . 5573 1 136 . 1 1 17 17 CYS C C 13 174.27 0.60 . 1 . . . . . . . . 5573 1 137 . 1 1 17 17 CYS N N 15 123.13 0.60 . 1 . . . . . . . . 5573 1 138 . 1 1 18 18 GLU H H 1 8.53 0.05 . 1 . . . . . . . . 5573 1 139 . 1 1 18 18 GLU C C 13 176.45 0.60 . 1 . . . . . . . . 5573 1 140 . 1 1 18 18 GLU N N 15 125.26 0.60 . 1 . . . . . . . . 5573 1 141 . 1 1 19 19 LYS H H 1 8.42 0.05 . 1 . . . . . . . . 5573 1 142 . 1 1 19 19 LYS C C 13 176.02 0.60 . 1 . . . . . . . . 5573 1 143 . 1 1 19 19 LYS CB C 13 25.48 0.60 . 1 . . . . . . . . 5573 1 144 . 1 1 19 19 LYS N N 15 123.56 0.60 . 1 . . . . . . . . 5573 1 145 . 1 1 20 20 SER H H 1 8.85 0.05 . 1 . . . . . . . . 5573 1 146 . 1 1 20 20 SER HA H 1 5.49 0.05 . 1 . . . . . . . . 5573 1 147 . 1 1 20 20 SER C C 13 177.08 0.60 . 1 . . . . . . . . 5573 1 148 . 1 1 20 20 SER CA C 13 58.12 0.60 . 1 . . . . . . . . 5573 1 149 . 1 1 20 20 SER N N 15 124.27 0.60 . 1 . . . . . . . . 5573 1 150 . 1 1 21 21 THR H H 1 8.54 0.05 . 1 . . . . . . . . 5573 1 151 . 1 1 21 21 THR HA H 1 4.89 0.05 . 1 . . . . . . . . 5573 1 152 . 1 1 21 21 THR HB H 1 4.05 0.05 . 1 . . . . . . . . 5573 1 153 . 1 1 21 21 THR HG21 H 1 1.19 0.05 . 1 . . . . . . . . 5573 1 154 . 1 1 21 21 THR HG22 H 1 1.19 0.05 . 1 . . . . . . . . 5573 1 155 . 1 1 21 21 THR HG23 H 1 1.19 0.05 . 1 . . . . . . . . 5573 1 156 . 1 1 21 21 THR C C 13 174.61 0.60 . 1 . . . . . . . . 5573 1 157 . 1 1 21 21 THR CA C 13 60.63 0.60 . 1 . . . . . . . . 5573 1 158 . 1 1 21 21 THR CB C 13 70.75 0.60 . 1 . . . . . . . . 5573 1 159 . 1 1 21 21 THR CG2 C 13 21.62 0.60 . 1 . . . . . . . . 5573 1 160 . 1 1 21 21 THR N N 15 116.58 0.60 . 1 . . . . . . . . 5573 1 161 . 1 1 22 22 LEU HA H 1 4.93 0.05 . 1 . . . . . . . . 5573 1 162 . 1 1 22 22 LEU HD11 H 1 0.77 0.05 . 1 . . . . . . . . 5573 1 163 . 1 1 22 22 LEU HD12 H 1 0.77 0.05 . 1 . . . . . . . . 5573 1 164 . 1 1 22 22 LEU HD13 H 1 0.77 0.05 . 1 . . . . . . . . 5573 1 165 . 1 1 22 22 LEU C C 13 175.10 0.60 . 1 . . . . . . . . 5573 1 166 . 1 1 22 22 LEU CA C 13 53.51 0.60 . 1 . . . . . . . . 5573 1 167 . 1 1 22 22 LEU CB C 13 43.87 0.60 . 1 . . . . . . . . 5573 1 168 . 1 1 22 22 LEU CG C 13 27.37 0.60 . 1 . . . . . . . . 5573 1 169 . 1 1 22 22 LEU CD1 C 13 23.99 0.60 . 1 . . . . . . . . 5573 1 170 . 1 1 22 22 LEU CD2 C 13 21.83 0.60 . 1 . . . . . . . . 5573 1 171 . 1 1 23 23 THR H H 1 8.76 0.05 . 1 . . . . . . . . 5573 1 172 . 1 1 23 23 THR HA H 1 5.11 0.05 . 1 . . . . . . . . 5573 1 173 . 1 1 23 23 THR HB H 1 4.19 0.05 . 1 . . . . . . . . 5573 1 174 . 1 1 23 23 THR HG21 H 1 1.22 0.05 . 1 . . . . . . . . 5573 1 175 . 1 1 23 23 THR HG22 H 1 1.22 0.05 . 1 . . . . . . . . 5573 1 176 . 1 1 23 23 THR HG23 H 1 1.22 0.05 . 1 . . . . . . . . 5573 1 177 . 1 1 23 23 THR C C 13 173.01 0.60 . 1 . . . . . . . . 5573 1 178 . 1 1 23 23 THR CA C 13 61.19 0.60 . 1 . . . . . . . . 5573 1 179 . 1 1 23 23 THR CB C 13 69.62 0.60 . 1 . . . . . . . . 5573 1 180 . 1 1 23 23 THR CG2 C 13 21.67 0.60 . 1 . . . . . . . . 5573 1 181 . 1 1 23 23 THR N N 15 123.52 0.60 . 1 . . . . . . . . 5573 1 182 . 1 1 24 24 ASN H H 1 8.57 0.05 . 1 . . . . . . . . 5573 1 183 . 1 1 24 24 ASN HA H 1 4.57 0.05 . 1 . . . . . . . . 5573 1 184 . 1 1 24 24 ASN HB2 H 1 3.08 0.05 . 1 . . . . . . . . 5573 1 185 . 1 1 24 24 ASN HB3 H 1 2.98 0.05 . 1 . . . . . . . . 5573 1 186 . 1 1 24 24 ASN HD21 H 1 7.91 0.05 . 1 . . . . . . . . 5573 1 187 . 1 1 24 24 ASN HD22 H 1 6.94 0.05 . 1 . . . . . . . . 5573 1 188 . 1 1 24 24 ASN C C 13 174.03 0.60 . 1 . . . . . . . . 5573 1 189 . 1 1 24 24 ASN CA C 13 54.35 0.60 . 1 . . . . . . . . 5573 1 190 . 1 1 24 24 ASN CB C 13 36.71 0.60 . 1 . . . . . . . . 5573 1 191 . 1 1 24 24 ASN N N 15 122.94 0.60 . 1 . . . . . . . . 5573 1 192 . 1 1 25 25 CYS H H 1 8.54 0.05 . 1 . . . . . . . . 5573 1 193 . 1 1 25 25 CYS HA H 1 5.80 0.05 . 1 . . . . . . . . 5573 1 194 . 1 1 25 25 CYS HB2 H 1 2.17 0.05 . 1 . . . . . . . . 5573 1 195 . 1 1 25 25 CYS HB3 H 1 3.18 0.05 . 1 . . . . . . . . 5573 1 196 . 1 1 25 25 CYS C C 13 172.10 0.60 . 1 . . . . . . . . 5573 1 197 . 1 1 25 25 CYS CA C 13 55.43 0.60 . 1 . . . . . . . . 5573 1 198 . 1 1 25 25 CYS CB C 13 49.49 0.60 . 1 . . . . . . . . 5573 1 199 . 1 1 25 25 CYS N N 15 112.17 0.60 . 1 . . . . . . . . 5573 1 200 . 1 1 26 26 TYR H H 1 8.19 0.05 . 1 . . . . . . . . 5573 1 201 . 1 1 26 26 TYR HA H 1 4.82 0.05 . 1 . . . . . . . . 5573 1 202 . 1 1 26 26 TYR HB2 H 1 2.88 0.05 . 1 . . . . . . . . 5573 1 203 . 1 1 26 26 TYR HB3 H 1 2.88 0.05 . 1 . . . . . . . . 5573 1 204 . 1 1 26 26 TYR HD1 H 1 7.02 0.05 . 3 . . . . . . . . 5573 1 205 . 1 1 26 26 TYR HE1 H 1 6.73 0.05 . 3 . . . . . . . . 5573 1 206 . 1 1 26 26 TYR C C 13 174.03 0.60 . 1 . . . . . . . . 5573 1 207 . 1 1 26 26 TYR CA C 13 57.63 0.60 . 1 . . . . . . . . 5573 1 208 . 1 1 26 26 TYR CB C 13 40.82 0.60 . 1 . . . . . . . . 5573 1 209 . 1 1 26 26 TYR N N 15 122.79 0.60 . 1 . . . . . . . . 5573 1 210 . 1 1 27 27 VAL H H 1 8.70 0.05 . 1 . . . . . . . . 5573 1 211 . 1 1 27 27 VAL HA H 1 4.74 0.05 . 1 . . . . . . . . 5573 1 212 . 1 1 27 27 VAL HB H 1 2.14 0.05 . 1 . . . . . . . . 5573 1 213 . 1 1 27 27 VAL HG11 H 1 1.01 0.05 . 1 . . . . . . . . 5573 1 214 . 1 1 27 27 VAL HG12 H 1 1.01 0.05 . 1 . . . . . . . . 5573 1 215 . 1 1 27 27 VAL HG13 H 1 1.01 0.05 . 1 . . . . . . . . 5573 1 216 . 1 1 27 27 VAL HG21 H 1 0.64 0.05 . 1 . . . . . . . . 5573 1 217 . 1 1 27 27 VAL HG22 H 1 0.64 0.05 . 1 . . . . . . . . 5573 1 218 . 1 1 27 27 VAL HG23 H 1 0.64 0.05 . 1 . . . . . . . . 5573 1 219 . 1 1 27 27 VAL C C 13 172.98 0.60 . 1 . . . . . . . . 5573 1 220 . 1 1 27 27 VAL CA C 13 61.88 0.60 . 1 . . . . . . . . 5573 1 221 . 1 1 27 27 VAL CB C 13 34.84 0.60 . 1 . . . . . . . . 5573 1 222 . 1 1 27 27 VAL CG1 C 13 23.20 0.60 . 1 . . . . . . . . 5573 1 223 . 1 1 27 27 VAL CG2 C 13 21.06 0.60 . 1 . . . . . . . . 5573 1 224 . 1 1 27 27 VAL N N 15 126.65 0.60 . 1 . . . . . . . . 5573 1 225 . 1 1 28 28 ASP H H 1 8.95 0.05 . 1 . . . . . . . . 5573 1 226 . 1 1 28 28 ASP HA H 1 5.24 0.05 . 1 . . . . . . . . 5573 1 227 . 1 1 28 28 ASP HB2 H 1 2.50 0.05 . 1 . . . . . . . . 5573 1 228 . 1 1 28 28 ASP HB3 H 1 2.73 0.05 . 1 . . . . . . . . 5573 1 229 . 1 1 28 28 ASP C C 13 175.42 0.60 . 1 . . . . . . . . 5573 1 230 . 1 1 28 28 ASP CA C 13 53.02 0.60 . 1 . . . . . . . . 5573 1 231 . 1 1 28 28 ASP CB C 13 45.40 0.60 . 1 . . . . . . . . 5573 1 232 . 1 1 28 28 ASP N N 15 127.12 0.60 . 1 . . . . . . . . 5573 1 233 . 1 1 29 29 LYS H H 1 8.51 0.05 . 1 . . . . . . . . 5573 1 234 . 1 1 29 29 LYS HA H 1 3.68 0.05 . 1 . . . . . . . . 5573 1 235 . 1 1 29 29 LYS HB2 H 1 1.69 0.05 . 1 . . . . . . . . 5573 1 236 . 1 1 29 29 LYS HB3 H 1 2.04 0.05 . 1 . . . . . . . . 5573 1 237 . 1 1 29 29 LYS HG2 H 1 1.44 0.05 . 1 . . . . . . . . 5573 1 238 . 1 1 29 29 LYS HG3 H 1 1.36 0.05 . 1 . . . . . . . . 5573 1 239 . 1 1 29 29 LYS C C 13 175.37 0.60 . 1 . . . . . . . . 5573 1 240 . 1 1 29 29 LYS CA C 13 57.04 0.60 . 1 . . . . . . . . 5573 1 241 . 1 1 29 29 LYS CB C 13 31.10 0.60 . 1 . . . . . . . . 5573 1 242 . 1 1 29 29 LYS CG C 13 25.79 0.60 . 1 . . . . . . . . 5573 1 243 . 1 1 29 29 LYS CD C 13 29.95 0.60 . 1 . . . . . . . . 5573 1 244 . 1 1 29 29 LYS CE C 13 42.43 0.60 . 1 . . . . . . . . 5573 1 245 . 1 1 29 29 LYS N N 15 128.84 0.60 . 1 . . . . . . . . 5573 1 246 . 1 1 30 30 SER H H 1 8.17 0.05 . 1 . . . . . . . . 5573 1 247 . 1 1 30 30 SER HA H 1 5.55 0.05 . 1 . . . . . . . . 5573 1 248 . 1 1 30 30 SER HB2 H 1 3.94 0.05 . 1 . . . . . . . . 5573 1 249 . 1 1 30 30 SER HB3 H 1 3.34 0.05 . 1 . . . . . . . . 5573 1 250 . 1 1 30 30 SER C C 13 171.90 0.60 . 1 . . . . . . . . 5573 1 251 . 1 1 30 30 SER CA C 13 58.47 0.60 . 1 . . . . . . . . 5573 1 252 . 1 1 30 30 SER CB C 13 69.12 0.60 . 1 . . . . . . . . 5573 1 253 . 1 1 30 30 SER N N 15 112.45 0.60 . 1 . . . . . . . . 5573 1 254 . 1 1 31 31 GLU H H 1 9.31 0.05 . 1 . . . . . . . . 5573 1 255 . 1 1 31 31 GLU HA H 1 4.80 0.05 . 1 . . . . . . . . 5573 1 256 . 1 1 31 31 GLU HB2 H 1 2.08 0.05 . 1 . . . . . . . . 5573 1 257 . 1 1 31 31 GLU HB3 H 1 1.95 0.05 . 1 . . . . . . . . 5573 1 258 . 1 1 31 31 GLU HG2 H 1 2.09 0.05 . 1 . . . . . . . . 5573 1 259 . 1 1 31 31 GLU HG3 H 1 2.25 0.05 . 1 . . . . . . . . 5573 1 260 . 1 1 31 31 GLU C C 13 173.58 0.60 . 1 . . . . . . . . 5573 1 261 . 1 1 31 31 GLU CA C 13 55.31 0.60 . 1 . . . . . . . . 5573 1 262 . 1 1 31 31 GLU CB C 13 32.56 0.60 . 1 . . . . . . . . 5573 1 263 . 1 1 31 31 GLU CG C 13 36.12 0.60 . 1 . . . . . . . . 5573 1 264 . 1 1 31 31 GLU N N 15 121.73 0.60 . 1 . . . . . . . . 5573 1 265 . 1 1 32 32 VAL H H 1 8.21 0.05 . 1 . . . . . . . . 5573 1 266 . 1 1 32 32 VAL HA H 1 4.46 0.05 . 1 . . . . . . . . 5573 1 267 . 1 1 32 32 VAL HB H 1 2.10 0.05 . 1 . . . . . . . . 5573 1 268 . 1 1 32 32 VAL HG11 H 1 1.03 0.05 . 1 . . . . . . . . 5573 1 269 . 1 1 32 32 VAL HG12 H 1 1.03 0.05 . 1 . . . . . . . . 5573 1 270 . 1 1 32 32 VAL HG13 H 1 1.03 0.05 . 1 . . . . . . . . 5573 1 271 . 1 1 32 32 VAL HG21 H 1 0.91 0.05 . 1 . . . . . . . . 5573 1 272 . 1 1 32 32 VAL HG22 H 1 0.91 0.05 . 1 . . . . . . . . 5573 1 273 . 1 1 32 32 VAL HG23 H 1 0.91 0.05 . 1 . . . . . . . . 5573 1 274 . 1 1 32 32 VAL C C 13 174.09 0.60 . 1 . . . . . . . . 5573 1 275 . 1 1 32 32 VAL CA C 13 60.99 0.60 . 1 . . . . . . . . 5573 1 276 . 1 1 32 32 VAL CB C 13 34.30 0.60 . 1 . . . . . . . . 5573 1 277 . 1 1 32 32 VAL CG1 C 13 20.94 0.60 . 1 . . . . . . . . 5573 1 278 . 1 1 32 32 VAL CG2 C 13 21.58 0.60 . 1 . . . . . . . . 5573 1 279 . 1 1 32 32 VAL N N 15 124.27 0.60 . 1 . . . . . . . . 5573 1 280 . 1 1 33 33 TYR H H 1 8.92 0.05 . 1 . . . . . . . . 5573 1 281 . 1 1 33 33 TYR HA H 1 5.70 0.05 . 1 . . . . . . . . 5573 1 282 . 1 1 33 33 TYR HB2 H 1 2.98 0.05 . 1 . . . . . . . . 5573 1 283 . 1 1 33 33 TYR HB3 H 1 3.15 0.05 . 1 . . . . . . . . 5573 1 284 . 1 1 33 33 TYR HD1 H 1 7.06 0.05 . 3 . . . . . . . . 5573 1 285 . 1 1 33 33 TYR HE1 H 1 6.69 0.05 . 3 . . . . . . . . 5573 1 286 . 1 1 33 33 TYR C C 13 178.33 0.60 . 1 . . . . . . . . 5573 1 287 . 1 1 33 33 TYR CA C 13 55.87 0.60 . 1 . . . . . . . . 5573 1 288 . 1 1 33 33 TYR CB C 13 41.52 0.60 . 1 . . . . . . . . 5573 1 289 . 1 1 33 33 TYR N N 15 125.24 0.60 . 1 . . . . . . . . 5573 1 290 . 1 1 34 34 GLY H H 1 8.15 0.05 . 1 . . . . . . . . 5573 1 291 . 1 1 34 34 GLY HA2 H 1 3.84 0.05 . 1 . . . . . . . . 5573 1 292 . 1 1 34 34 GLY HA3 H 1 4.54 0.05 . 1 . . . . . . . . 5573 1 293 . 1 1 34 34 GLY C C 13 175.07 0.60 . 1 . . . . . . . . 5573 1 294 . 1 1 34 34 GLY CA C 13 48.89 0.60 . 1 . . . . . . . . 5573 1 295 . 1 1 34 34 GLY N N 15 119.51 0.60 . 1 . . . . . . . . 5573 1 296 . 1 1 35 35 THR H H 1 8.69 0.05 . 1 . . . . . . . . 5573 1 297 . 1 1 35 35 THR HA H 1 5.57 0.05 . 1 . . . . . . . . 5573 1 298 . 1 1 35 35 THR HB H 1 3.66 0.05 . 1 . . . . . . . . 5573 1 299 . 1 1 35 35 THR HG21 H 1 0.91 0.05 . 1 . . . . . . . . 5573 1 300 . 1 1 35 35 THR HG22 H 1 0.91 0.05 . 1 . . . . . . . . 5573 1 301 . 1 1 35 35 THR HG23 H 1 0.91 0.05 . 1 . . . . . . . . 5573 1 302 . 1 1 35 35 THR C C 13 172.76 0.60 . 1 . . . . . . . . 5573 1 303 . 1 1 35 35 THR CA C 13 62.64 0.60 . 1 . . . . . . . . 5573 1 304 . 1 1 35 35 THR CB C 13 67.91 0.60 . 1 . . . . . . . . 5573 1 305 . 1 1 35 35 THR CG2 C 13 20.17 0.60 . 1 . . . . . . . . 5573 1 306 . 1 1 35 35 THR N N 15 118.16 0.60 . 1 . . . . . . . . 5573 1 307 . 1 1 36 36 THR H H 1 8.63 0.05 . 1 . . . . . . . . 5573 1 308 . 1 1 36 36 THR HA H 1 4.73 0.05 . 1 . . . . . . . . 5573 1 309 . 1 1 36 36 THR HB H 1 4.23 0.05 . 1 . . . . . . . . 5573 1 310 . 1 1 36 36 THR HG21 H 1 1.17 0.05 . 1 . . . . . . . . 5573 1 311 . 1 1 36 36 THR HG22 H 1 1.17 0.05 . 1 . . . . . . . . 5573 1 312 . 1 1 36 36 THR HG23 H 1 1.17 0.05 . 1 . . . . . . . . 5573 1 313 . 1 1 36 36 THR C C 13 171.91 0.60 . 1 . . . . . . . . 5573 1 314 . 1 1 36 36 THR CA C 13 62.13 0.60 . 1 . . . . . . . . 5573 1 315 . 1 1 36 36 THR CB C 13 69.89 0.60 . 1 . . . . . . . . 5573 1 316 . 1 1 36 36 THR CG2 C 13 21.19 0.60 . 1 . . . . . . . . 5573 1 317 . 1 1 36 36 THR N N 15 122.06 0.60 . 1 . . . . . . . . 5573 1 318 . 1 1 37 37 CYS H H 1 9.43 0.05 . 1 . . . . . . . . 5573 1 319 . 1 1 37 37 CYS HA H 1 5.09 0.05 . 1 . . . . . . . . 5573 1 320 . 1 1 37 37 CYS HB2 H 1 2.55 0.05 . 1 . . . . . . . . 5573 1 321 . 1 1 37 37 CYS HB3 H 1 3.43 0.05 . 1 . . . . . . . . 5573 1 322 . 1 1 37 37 CYS C C 13 173.17 0.60 . 1 . . . . . . . . 5573 1 323 . 1 1 37 37 CYS CA C 13 56.37 0.60 . 1 . . . . . . . . 5573 1 324 . 1 1 37 37 CYS CB C 13 42.98 0.60 . 1 . . . . . . . . 5573 1 325 . 1 1 37 37 CYS N N 15 128.27 0.60 . 1 . . . . . . . . 5573 1 326 . 1 1 38 38 THR H H 1 9.50 0.05 . 1 . . . . . . . . 5573 1 327 . 1 1 38 38 THR HA H 1 5.55 0.05 . 1 . . . . . . . . 5573 1 328 . 1 1 38 38 THR HB H 1 4.05 0.05 . 1 . . . . . . . . 5573 1 329 . 1 1 38 38 THR HG21 H 1 1.29 0.05 . 1 . . . . . . . . 5573 1 330 . 1 1 38 38 THR HG22 H 1 1.29 0.05 . 1 . . . . . . . . 5573 1 331 . 1 1 38 38 THR HG23 H 1 1.29 0.05 . 1 . . . . . . . . 5573 1 332 . 1 1 38 38 THR C C 13 176.62 0.60 . 1 . . . . . . . . 5573 1 333 . 1 1 38 38 THR CA C 13 61.40 0.60 . 1 . . . . . . . . 5573 1 334 . 1 1 38 38 THR CB C 13 70.75 0.60 . 1 . . . . . . . . 5573 1 335 . 1 1 38 38 THR CG2 C 13 22.22 0.60 . 1 . . . . . . . . 5573 1 336 . 1 1 38 38 THR N N 15 128.23 0.60 . 1 . . . . . . . . 5573 1 337 . 1 1 39 39 GLY H H 1 9.41 0.05 . 1 . . . . . . . . 5573 1 338 . 1 1 39 39 GLY HA2 H 1 4.11 0.05 . 1 . . . . . . . . 5573 1 339 . 1 1 39 39 GLY HA3 H 1 4.38 0.05 . 1 . . . . . . . . 5573 1 340 . 1 1 39 39 GLY C C 13 175.25 0.60 . 1 . . . . . . . . 5573 1 341 . 1 1 39 39 GLY CA C 13 48.59 0.60 . 1 . . . . . . . . 5573 1 342 . 1 1 39 39 GLY N N 15 120.36 0.60 . 1 . . . . . . . . 5573 1 343 . 1 1 40 40 SER H H 1 7.34 0.05 . 1 . . . . . . . . 5573 1 344 . 1 1 40 40 SER HA H 1 5.59 0.05 . 1 . . . . . . . . 5573 1 345 . 1 1 40 40 SER HB2 H 1 3.88 0.05 . 1 . . . . . . . . 5573 1 346 . 1 1 40 40 SER HB3 H 1 4.05 0.05 . 1 . . . . . . . . 5573 1 347 . 1 1 40 40 SER C C 13 170.66 0.60 . 1 . . . . . . . . 5573 1 348 . 1 1 40 40 SER CA C 13 57.22 0.60 . 1 . . . . . . . . 5573 1 349 . 1 1 40 40 SER CB C 13 68.77 0.60 . 1 . . . . . . . . 5573 1 350 . 1 1 40 40 SER N N 15 111.57 0.60 . 1 . . . . . . . . 5573 1 351 . 1 1 41 41 ARG H H 1 8.76 0.05 . 1 . . . . . . . . 5573 1 352 . 1 1 41 41 ARG HA H 1 5.51 0.05 . 1 . . . . . . . . 5573 1 353 . 1 1 41 41 ARG HB2 H 1 1.63 0.05 . 1 . . . . . . . . 5573 1 354 . 1 1 41 41 ARG HB3 H 1 1.82 0.05 . 1 . . . . . . . . 5573 1 355 . 1 1 41 41 ARG HD2 H 1 2.84 0.05 . 1 . . . . . . . . 5573 1 356 . 1 1 41 41 ARG HD3 H 1 3.07 0.05 . 1 . . . . . . . . 5573 1 357 . 1 1 41 41 ARG C C 13 174.35 0.60 . 1 . . . . . . . . 5573 1 358 . 1 1 41 41 ARG CA C 13 54.27 0.60 . 1 . . . . . . . . 5573 1 359 . 1 1 41 41 ARG CB C 13 33.66 0.60 . 1 . . . . . . . . 5573 1 360 . 1 1 41 41 ARG CG C 13 28.58 0.60 . 1 . . . . . . . . 5573 1 361 . 1 1 41 41 ARG CD C 13 43.26 0.60 . 1 . . . . . . . . 5573 1 362 . 1 1 41 41 ARG N N 15 121.55 0.60 . 1 . . . . . . . . 5573 1 363 . 1 1 42 42 PHE H H 1 9.40 0.05 . 1 . . . . . . . . 5573 1 364 . 1 1 42 42 PHE HA H 1 5.75 0.05 . 1 . . . . . . . . 5573 1 365 . 1 1 42 42 PHE HB2 H 1 3.26 0.05 . 1 . . . . . . . . 5573 1 366 . 1 1 42 42 PHE HB3 H 1 3.26 0.05 . 1 . . . . . . . . 5573 1 367 . 1 1 42 42 PHE HD1 H 1 7.08 0.05 . 3 . . . . . . . . 5573 1 368 . 1 1 42 42 PHE HE1 H 1 7.20 0.05 . 3 . . . . . . . . 5573 1 369 . 1 1 42 42 PHE HZ H 1 6.99 0.05 . 1 . . . . . . . . 5573 1 370 . 1 1 42 42 PHE C C 13 174.52 0.60 . 1 . . . . . . . . 5573 1 371 . 1 1 42 42 PHE CA C 13 52.08 0.60 . 1 . . . . . . . . 5573 1 372 . 1 1 42 42 PHE CB C 13 41.47 0.60 . 1 . . . . . . . . 5573 1 373 . 1 1 42 42 PHE N N 15 124.42 0.60 . 1 . . . . . . . . 5573 1 374 . 1 1 43 43 ASP H H 1 8.17 0.05 . 1 . . . . . . . . 5573 1 375 . 1 1 43 43 ASP HA H 1 5.62 0.05 . 1 . . . . . . . . 5573 1 376 . 1 1 43 43 ASP HB2 H 1 2.52 0.05 . 1 . . . . . . . . 5573 1 377 . 1 1 43 43 ASP HB3 H 1 2.75 0.05 . 1 . . . . . . . . 5573 1 378 . 1 1 43 43 ASP C C 13 175.90 0.60 . 1 . . . . . . . . 5573 1 379 . 1 1 43 43 ASP CA C 13 52.55 0.60 . 1 . . . . . . . . 5573 1 380 . 1 1 43 43 ASP CB C 13 43.31 0.60 . 1 . . . . . . . . 5573 1 381 . 1 1 43 43 ASP N N 15 122.86 0.60 . 1 . . . . . . . . 5573 1 382 . 1 1 44 44 GLY H H 1 7.83 0.05 . 1 . . . . . . . . 5573 1 383 . 1 1 44 44 GLY HA2 H 1 3.90 0.05 . 1 . . . . . . . . 5573 1 384 . 1 1 44 44 GLY HA3 H 1 4.42 0.05 . 1 . . . . . . . . 5573 1 385 . 1 1 44 44 GLY C C 13 173.67 0.60 . 1 . . . . . . . . 5573 1 386 . 1 1 44 44 GLY CA C 13 48.62 0.60 . 1 . . . . . . . . 5573 1 387 . 1 1 44 44 GLY N N 15 115.06 0.60 . 1 . . . . . . . . 5573 1 388 . 1 1 45 45 VAL H H 1 7.77 0.05 . 1 . . . . . . . . 5573 1 389 . 1 1 45 45 VAL HA H 1 4.29 0.05 . 1 . . . . . . . . 5573 1 390 . 1 1 45 45 VAL HB H 1 1.58 0.05 . 1 . . . . . . . . 5573 1 391 . 1 1 45 45 VAL HG11 H 1 0.51 0.05 . 1 . . . . . . . . 5573 1 392 . 1 1 45 45 VAL HG12 H 1 0.51 0.05 . 1 . . . . . . . . 5573 1 393 . 1 1 45 45 VAL HG13 H 1 0.51 0.05 . 1 . . . . . . . . 5573 1 394 . 1 1 45 45 VAL HG21 H 1 0.32 0.05 . 1 . . . . . . . . 5573 1 395 . 1 1 45 45 VAL HG22 H 1 0.32 0.05 . 1 . . . . . . . . 5573 1 396 . 1 1 45 45 VAL HG23 H 1 0.32 0.05 . 1 . . . . . . . . 5573 1 397 . 1 1 45 45 VAL C C 13 174.69 0.60 . 1 . . . . . . . . 5573 1 398 . 1 1 45 45 VAL CA C 13 60.47 0.60 . 1 . . . . . . . . 5573 1 399 . 1 1 45 45 VAL CB C 13 36.20 0.60 . 1 . . . . . . . . 5573 1 400 . 1 1 45 45 VAL CG1 C 13 21.99 0.60 . 1 . . . . . . . . 5573 1 401 . 1 1 45 45 VAL CG2 C 13 21.70 0.60 . 1 . . . . . . . . 5573 1 402 . 1 1 45 45 VAL N N 15 118.58 0.60 . 1 . . . . . . . . 5573 1 403 . 1 1 46 46 THR H H 1 8.85 0.05 . 1 . . . . . . . . 5573 1 404 . 1 1 46 46 THR HA H 1 5.21 0.05 . 1 . . . . . . . . 5573 1 405 . 1 1 46 46 THR HB H 1 4.11 0.05 . 1 . . . . . . . . 5573 1 406 . 1 1 46 46 THR HG21 H 1 1.30 0.05 . 1 . . . . . . . . 5573 1 407 . 1 1 46 46 THR HG22 H 1 1.30 0.05 . 1 . . . . . . . . 5573 1 408 . 1 1 46 46 THR HG23 H 1 1.30 0.05 . 1 . . . . . . . . 5573 1 409 . 1 1 46 46 THR C C 13 172.65 0.60 . 1 . . . . . . . . 5573 1 410 . 1 1 46 46 THR CA C 13 62.04 0.60 . 1 . . . . . . . . 5573 1 411 . 1 1 46 46 THR CB C 13 69.57 0.60 . 1 . . . . . . . . 5573 1 412 . 1 1 46 46 THR CG2 C 13 20.85 0.60 . 1 . . . . . . . . 5573 1 413 . 1 1 46 46 THR N N 15 124.50 0.60 . 1 . . . . . . . . 5573 1 414 . 1 1 47 47 ILE H H 1 9.21 0.05 . 1 . . . . . . . . 5573 1 415 . 1 1 47 47 ILE HA H 1 5.53 0.05 . 1 . . . . . . . . 5573 1 416 . 1 1 47 47 ILE HB H 1 1.08 0.05 . 1 . . . . . . . . 5573 1 417 . 1 1 47 47 ILE HG12 H 1 1.06 0.05 . 1 . . . . . . . . 5573 1 418 . 1 1 47 47 ILE HG13 H 1 1.25 0.05 . 1 . . . . . . . . 5573 1 419 . 1 1 47 47 ILE HG21 H 1 0.73 0.05 . 1 . . . . . . . . 5573 1 420 . 1 1 47 47 ILE HG22 H 1 0.73 0.05 . 1 . . . . . . . . 5573 1 421 . 1 1 47 47 ILE HG23 H 1 0.73 0.05 . 1 . . . . . . . . 5573 1 422 . 1 1 47 47 ILE HD11 H 1 0.41 0.05 . 1 . . . . . . . . 5573 1 423 . 1 1 47 47 ILE HD12 H 1 0.41 0.05 . 1 . . . . . . . . 5573 1 424 . 1 1 47 47 ILE HD13 H 1 0.41 0.05 . 1 . . . . . . . . 5573 1 425 . 1 1 47 47 ILE C C 13 172.18 0.60 . 1 . . . . . . . . 5573 1 426 . 1 1 47 47 ILE CA C 13 57.62 0.60 . 1 . . . . . . . . 5573 1 427 . 1 1 47 47 ILE CB C 13 41.14 0.60 . 1 . . . . . . . . 5573 1 428 . 1 1 47 47 ILE CG1 C 13 27.66 0.60 . 1 . . . . . . . . 5573 1 429 . 1 1 47 47 ILE CG2 C 13 15.68 0.60 . 1 . . . . . . . . 5573 1 430 . 1 1 47 47 ILE CD1 C 13 13.40 0.60 . 1 . . . . . . . . 5573 1 431 . 1 1 47 47 ILE N N 15 126.10 0.60 . 1 . . . . . . . . 5573 1 432 . 1 1 48 48 THR H H 1 8.38 0.05 . 1 . . . . . . . . 5573 1 433 . 1 1 48 48 THR HA H 1 5.98 0.05 . 1 . . . . . . . . 5573 1 434 . 1 1 48 48 THR HB H 1 4.06 0.05 . 1 . . . . . . . . 5573 1 435 . 1 1 48 48 THR HG21 H 1 1.36 0.05 . 1 . . . . . . . . 5573 1 436 . 1 1 48 48 THR HG22 H 1 1.36 0.05 . 1 . . . . . . . . 5573 1 437 . 1 1 48 48 THR HG23 H 1 1.36 0.05 . 1 . . . . . . . . 5573 1 438 . 1 1 48 48 THR C C 13 176.08 0.60 . 1 . . . . . . . . 5573 1 439 . 1 1 48 48 THR CA C 13 59.24 0.60 . 1 . . . . . . . . 5573 1 440 . 1 1 48 48 THR CB C 13 71.01 0.60 . 1 . . . . . . . . 5573 1 441 . 1 1 48 48 THR CG2 C 13 21.66 0.60 . 1 . . . . . . . . 5573 1 442 . 1 1 48 48 THR N N 15 119.97 0.60 . 1 . . . . . . . . 5573 1 443 . 1 1 49 49 THR H H 1 8.75 0.05 . 1 . . . . . . . . 5573 1 444 . 1 1 49 49 THR HA H 1 4.43 0.05 . 1 . . . . . . . . 5573 1 445 . 1 1 49 49 THR HB H 1 4.47 0.05 . 1 . . . . . . . . 5573 1 446 . 1 1 49 49 THR HG21 H 1 1.45 0.05 . 1 . . . . . . . . 5573 1 447 . 1 1 49 49 THR HG22 H 1 1.45 0.05 . 1 . . . . . . . . 5573 1 448 . 1 1 49 49 THR HG23 H 1 1.45 0.05 . 1 . . . . . . . . 5573 1 449 . 1 1 49 49 THR C C 13 173.65 0.60 . 1 . . . . . . . . 5573 1 450 . 1 1 49 49 THR CA C 13 61.97 0.60 . 1 . . . . . . . . 5573 1 451 . 1 1 49 49 THR CB C 13 67.58 0.60 . 1 . . . . . . . . 5573 1 452 . 1 1 49 49 THR CG2 C 13 23.69 0.60 . 1 . . . . . . . . 5573 1 453 . 1 1 49 49 THR N N 15 123.17 0.60 . 1 . . . . . . . . 5573 1 454 . 1 1 50 50 SER H H 1 7.55 0.05 . 1 . . . . . . . . 5573 1 455 . 1 1 50 50 SER HA H 1 5.55 0.05 . 1 . . . . . . . . 5573 1 456 . 1 1 50 50 SER HB2 H 1 3.28 0.05 . 1 . . . . . . . . 5573 1 457 . 1 1 50 50 SER HB3 H 1 3.28 0.05 . 1 . . . . . . . . 5573 1 458 . 1 1 50 50 SER C C 13 172.15 0.60 . 1 . . . . . . . . 5573 1 459 . 1 1 50 50 SER CA C 13 58.40 0.60 . 1 . . . . . . . . 5573 1 460 . 1 1 50 50 SER CB C 13 68.85 0.60 . 1 . . . . . . . . 5573 1 461 . 1 1 50 50 SER N N 15 113.56 0.60 . 1 . . . . . . . . 5573 1 462 . 1 1 51 51 THR H H 1 8.80 0.05 . 1 . . . . . . . . 5573 1 463 . 1 1 51 51 THR HA H 1 5.36 0.05 . 1 . . . . . . . . 5573 1 464 . 1 1 51 51 THR HB H 1 4.05 0.05 . 1 . . . . . . . . 5573 1 465 . 1 1 51 51 THR HG21 H 1 1.20 0.05 . 1 . . . . . . . . 5573 1 466 . 1 1 51 51 THR HG22 H 1 1.20 0.05 . 1 . . . . . . . . 5573 1 467 . 1 1 51 51 THR HG23 H 1 1.20 0.05 . 1 . . . . . . . . 5573 1 468 . 1 1 51 51 THR C C 13 173.17 0.60 . 1 . . . . . . . . 5573 1 469 . 1 1 51 51 THR CA C 13 61.75 0.60 . 1 . . . . . . . . 5573 1 470 . 1 1 51 51 THR CB C 13 72.11 0.60 . 1 . . . . . . . . 5573 1 471 . 1 1 51 51 THR CG2 C 13 21.33 0.60 . 1 . . . . . . . . 5573 1 472 . 1 1 51 51 THR N N 15 117.41 0.60 . 1 . . . . . . . . 5573 1 473 . 1 1 52 52 SER H H 1 8.90 0.05 . 1 . . . . . . . . 5573 1 474 . 1 1 52 52 SER HA H 1 5.66 0.05 . 1 . . . . . . . . 5573 1 475 . 1 1 52 52 SER HB2 H 1 3.95 0.05 . 1 . . . . . . . . 5573 1 476 . 1 1 52 52 SER HB3 H 1 3.95 0.05 . 1 . . . . . . . . 5573 1 477 . 1 1 52 52 SER C C 13 173.82 0.60 . 1 . . . . . . . . 5573 1 478 . 1 1 52 52 SER CA C 13 56.09 0.60 . 1 . . . . . . . . 5573 1 479 . 1 1 52 52 SER CB C 13 65.75 0.60 . 1 . . . . . . . . 5573 1 480 . 1 1 52 52 SER N N 15 118.40 0.60 . 1 . . . . . . . . 5573 1 481 . 1 1 53 53 THR H H 1 9.41 0.05 . 1 . . . . . . . . 5573 1 482 . 1 1 53 53 THR HA H 1 5.61 0.05 . 1 . . . . . . . . 5573 1 483 . 1 1 53 53 THR HB H 1 4.02 0.05 . 1 . . . . . . . . 5573 1 484 . 1 1 53 53 THR HG21 H 1 1.27 0.05 . 1 . . . . . . . . 5573 1 485 . 1 1 53 53 THR HG22 H 1 1.27 0.05 . 1 . . . . . . . . 5573 1 486 . 1 1 53 53 THR HG23 H 1 1.27 0.05 . 1 . . . . . . . . 5573 1 487 . 1 1 53 53 THR C C 13 177.11 0.60 . 1 . . . . . . . . 5573 1 488 . 1 1 53 53 THR CA C 13 60.69 0.60 . 1 . . . . . . . . 5573 1 489 . 1 1 53 53 THR CB C 13 70.51 0.60 . 1 . . . . . . . . 5573 1 490 . 1 1 53 53 THR CG2 C 13 22.13 0.60 . 1 . . . . . . . . 5573 1 491 . 1 1 53 53 THR N N 15 127.09 0.60 . 1 . . . . . . . . 5573 1 492 . 1 1 54 54 GLY H H 1 8.69 0.05 . 1 . . . . . . . . 5573 1 493 . 1 1 54 54 GLY HA2 H 1 4.10 0.05 . 1 . . . . . . . . 5573 1 494 . 1 1 54 54 GLY HA3 H 1 4.46 0.05 . 1 . . . . . . . . 5573 1 495 . 1 1 54 54 GLY C C 13 175.43 0.60 . 1 . . . . . . . . 5573 1 496 . 1 1 54 54 GLY CA C 13 48.99 0.60 . 1 . . . . . . . . 5573 1 497 . 1 1 54 54 GLY N N 15 118.89 0.60 . 1 . . . . . . . . 5573 1 498 . 1 1 55 55 SER H H 1 8.05 0.05 . 1 . . . . . . . . 5573 1 499 . 1 1 55 55 SER HA H 1 5.31 0.05 . 1 . . . . . . . . 5573 1 500 . 1 1 55 55 SER HB2 H 1 3.59 0.05 . 1 . . . . . . . . 5573 1 501 . 1 1 55 55 SER HB3 H 1 3.83 0.05 . 1 . . . . . . . . 5573 1 502 . 1 1 55 55 SER C C 13 171.08 0.60 . 1 . . . . . . . . 5573 1 503 . 1 1 55 55 SER CA C 13 58.26 0.60 . 1 . . . . . . . . 5573 1 504 . 1 1 55 55 SER CB C 13 67.06 0.60 . 1 . . . . . . . . 5573 1 505 . 1 1 55 55 SER N N 15 111.87 0.60 . 1 . . . . . . . . 5573 1 506 . 1 1 56 56 ARG H H 1 9.63 0.05 . 1 . . . . . . . . 5573 1 507 . 1 1 56 56 ARG HA H 1 5.12 0.05 . 1 . . . . . . . . 5573 1 508 . 1 1 56 56 ARG HB2 H 1 1.72 0.05 . 1 . . . . . . . . 5573 1 509 . 1 1 56 56 ARG HB3 H 1 1.86 0.05 . 1 . . . . . . . . 5573 1 510 . 1 1 56 56 ARG HG3 H 1 3.11 0.05 . 1 . . . . . . . . 5573 1 511 . 1 1 56 56 ARG HD2 H 1 3.11 0.05 . 1 . . . . . . . . 5573 1 512 . 1 1 56 56 ARG HD3 H 1 3.11 0.05 . 1 . . . . . . . . 5573 1 513 . 1 1 56 56 ARG C C 13 174.65 0.60 . 1 . . . . . . . . 5573 1 514 . 1 1 56 56 ARG CA C 13 55.73 0.60 . 1 . . . . . . . . 5573 1 515 . 1 1 56 56 ARG CB C 13 30.76 0.60 . 1 . . . . . . . . 5573 1 516 . 1 1 56 56 ARG CG C 13 19.89 0.60 . 1 . . . . . . . . 5573 1 517 . 1 1 56 56 ARG CD C 13 28.62 0.60 . 1 . . . . . . . . 5573 1 518 . 1 1 56 56 ARG N N 15 126.79 0.60 . 1 . . . . . . . . 5573 1 519 . 1 1 57 57 ILE H H 1 9.21 0.05 . 1 . . . . . . . . 5573 1 520 . 1 1 57 57 ILE HA H 1 4.79 0.05 . 1 . . . . . . . . 5573 1 521 . 1 1 57 57 ILE HB H 1 1.81 0.05 . 1 . . . . . . . . 5573 1 522 . 1 1 57 57 ILE HG21 H 1 0.66 0.05 . 1 . . . . . . . . 5573 1 523 . 1 1 57 57 ILE HG22 H 1 0.66 0.05 . 1 . . . . . . . . 5573 1 524 . 1 1 57 57 ILE HG23 H 1 0.66 0.05 . 1 . . . . . . . . 5573 1 525 . 1 1 57 57 ILE HD11 H 1 0.95 0.05 . 1 . . . . . . . . 5573 1 526 . 1 1 57 57 ILE HD12 H 1 0.95 0.05 . 1 . . . . . . . . 5573 1 527 . 1 1 57 57 ILE HD13 H 1 0.95 0.05 . 1 . . . . . . . . 5573 1 528 . 1 1 57 57 ILE C C 13 175.10 0.60 . 1 . . . . . . . . 5573 1 529 . 1 1 57 57 ILE CA C 13 60.59 0.60 . 1 . . . . . . . . 5573 1 530 . 1 1 57 57 ILE CB C 13 40.73 0.60 . 1 . . . . . . . . 5573 1 531 . 1 1 57 57 ILE CG1 C 13 26.53 0.60 . 1 . . . . . . . . 5573 1 532 . 1 1 57 57 ILE CG2 C 13 20.50 0.60 . 1 . . . . . . . . 5573 1 533 . 1 1 57 57 ILE CD1 C 13 14.38 0.60 . 1 . . . . . . . . 5573 1 534 . 1 1 57 57 ILE N N 15 124.39 0.60 . 1 . . . . . . . . 5573 1 535 . 1 1 58 58 SER H H 1 8.76 0.05 . 1 . . . . . . . . 5573 1 536 . 1 1 58 58 SER HA H 1 5.73 0.05 . 1 . . . . . . . . 5573 1 537 . 1 1 58 58 SER HB2 H 1 3.72 0.05 . 1 . . . . . . . . 5573 1 538 . 1 1 58 58 SER HB3 H 1 3.88 0.05 . 1 . . . . . . . . 5573 1 539 . 1 1 58 58 SER C C 13 173.92 0.60 . 1 . . . . . . . . 5573 1 540 . 1 1 58 58 SER CA C 13 56.63 0.60 . 1 . . . . . . . . 5573 1 541 . 1 1 58 58 SER CB C 13 66.26 0.60 . 1 . . . . . . . . 5573 1 542 . 1 1 58 58 SER N N 15 121.39 0.60 . 1 . . . . . . . . 5573 1 543 . 1 1 59 59 GLY H H 1 8.62 0.05 . 1 . . . . . . . . 5573 1 544 . 1 1 59 59 GLY HA2 H 1 3.89 0.05 . 1 . . . . . . . . 5573 1 545 . 1 1 59 59 GLY HA3 H 1 4.43 0.05 . 1 . . . . . . . . 5573 1 546 . 1 1 59 59 GLY C C 13 173.07 0.60 . 1 . . . . . . . . 5573 1 547 . 1 1 59 59 GLY CA C 13 43.50 0.60 . 1 . . . . . . . . 5573 1 548 . 1 1 59 59 GLY N N 15 111.20 0.60 . 1 . . . . . . . . 5573 1 549 . 1 1 60 60 PRO HB2 H 1 1.64 0.05 . 1 . . . . . . . . 5573 1 550 . 1 1 60 60 PRO HB3 H 1 2.09 0.05 . 1 . . . . . . . . 5573 1 551 . 1 1 60 60 PRO C C 13 176.16 0.60 . 1 . . . . . . . . 5573 1 552 . 1 1 60 60 PRO CA C 13 63.08 0.60 . 1 . . . . . . . . 5573 1 553 . 1 1 60 60 PRO CB C 13 30.61 0.60 . 1 . . . . . . . . 5573 1 554 . 1 1 60 60 PRO CG C 13 27.78 0.60 . 1 . . . . . . . . 5573 1 555 . 1 1 60 60 PRO CD C 13 51.21 0.60 . 1 . . . . . . . . 5573 1 556 . 1 1 61 61 GLY H H 1 8.56 0.05 . 1 . . . . . . . . 5573 1 557 . 1 1 61 61 GLY C C 13 173.70 0.60 . 1 . . . . . . . . 5573 1 558 . 1 1 61 61 GLY CA C 13 46.39 0.60 . 1 . . . . . . . . 5573 1 559 . 1 1 61 61 GLY N N 15 125.91 0.60 . 1 . . . . . . . . 5573 1 560 . 1 1 62 62 CYS H H 1 7.45 0.05 . 1 . . . . . . . . 5573 1 561 . 1 1 62 62 CYS HA H 1 5.08 0.05 . 1 . . . . . . . . 5573 1 562 . 1 1 62 62 CYS HB2 H 1 2.61 0.05 . 1 . . . . . . . . 5573 1 563 . 1 1 62 62 CYS HB3 H 1 3.36 0.05 . 1 . . . . . . . . 5573 1 564 . 1 1 62 62 CYS C C 13 174.14 0.60 . 1 . . . . . . . . 5573 1 565 . 1 1 62 62 CYS CA C 13 55.28 0.60 . 1 . . . . . . . . 5573 1 566 . 1 1 62 62 CYS CB C 13 37.50 0.60 . 1 . . . . . . . . 5573 1 567 . 1 1 62 62 CYS N N 15 117.68 0.60 . 1 . . . . . . . . 5573 1 568 . 1 1 63 63 LYS H H 1 9.55 0.05 . 1 . . . . . . . . 5573 1 569 . 1 1 63 63 LYS HA H 1 5.31 0.05 . 1 . . . . . . . . 5573 1 570 . 1 1 63 63 LYS HB2 H 1 1.76 0.05 . 1 . . . . . . . . 5573 1 571 . 1 1 63 63 LYS HB3 H 1 1.76 0.05 . 1 . . . . . . . . 5573 1 572 . 1 1 63 63 LYS HG2 H 1 1.30 0.05 . 1 . . . . . . . . 5573 1 573 . 1 1 63 63 LYS HG3 H 1 1.39 0.05 . 1 . . . . . . . . 5573 1 574 . 1 1 63 63 LYS C C 13 174.75 0.60 . 1 . . . . . . . . 5573 1 575 . 1 1 63 63 LYS CA C 13 58.04 0.60 . 1 . . . . . . . . 5573 1 576 . 1 1 63 63 LYS CB C 13 35.20 0.60 . 1 . . . . . . . . 5573 1 577 . 1 1 63 63 LYS CG C 13 25.11 0.60 . 1 . . . . . . . . 5573 1 578 . 1 1 63 63 LYS CD C 13 29.67 0.60 . 1 . . . . . . . . 5573 1 579 . 1 1 63 63 LYS CE C 13 42.36 0.60 . 1 . . . . . . . . 5573 1 580 . 1 1 63 63 LYS N N 15 129.14 0.60 . 1 . . . . . . . . 5573 1 581 . 1 1 64 64 ILE H H 1 8.88 0.05 . 1 . . . . . . . . 5573 1 582 . 1 1 64 64 ILE HB H 1 1.31 0.05 . 1 . . . . . . . . 5573 1 583 . 1 1 64 64 ILE HG12 H 1 1.32 0.05 . 1 . . . . . . . . 5573 1 584 . 1 1 64 64 ILE HG13 H 1 1.32 0.05 . 1 . . . . . . . . 5573 1 585 . 1 1 64 64 ILE HG21 H 1 0.90 0.05 . 1 . . . . . . . . 5573 1 586 . 1 1 64 64 ILE HG22 H 1 0.90 0.05 . 1 . . . . . . . . 5573 1 587 . 1 1 64 64 ILE HG23 H 1 0.90 0.05 . 1 . . . . . . . . 5573 1 588 . 1 1 64 64 ILE HD11 H 1 0.86 0.05 . 1 . . . . . . . . 5573 1 589 . 1 1 64 64 ILE HD12 H 1 0.86 0.05 . 1 . . . . . . . . 5573 1 590 . 1 1 64 64 ILE HD13 H 1 0.86 0.05 . 1 . . . . . . . . 5573 1 591 . 1 1 64 64 ILE C C 13 175.64 0.60 . 1 . . . . . . . . 5573 1 592 . 1 1 64 64 ILE CA C 13 60.21 0.60 . 1 . . . . . . . . 5573 1 593 . 1 1 64 64 ILE CB C 13 43.02 0.60 . 1 . . . . . . . . 5573 1 594 . 1 1 64 64 ILE CG1 C 13 29.34 0.60 . 1 . . . . . . . . 5573 1 595 . 1 1 64 64 ILE CG2 C 13 17.81 0.60 . 1 . . . . . . . . 5573 1 596 . 1 1 64 64 ILE CD1 C 13 16.58 0.60 . 1 . . . . . . . . 5573 1 597 . 1 1 64 64 ILE N N 15 123.64 0.60 . 1 . . . . . . . . 5573 1 598 . 1 1 65 65 SER H H 1 9.22 0.05 . 1 . . . . . . . . 5573 1 599 . 1 1 65 65 SER HA H 1 5.30 0.05 . 1 . . . . . . . . 5573 1 600 . 1 1 65 65 SER HB2 H 1 3.72 0.05 . 1 . . . . . . . . 5573 1 601 . 1 1 65 65 SER HB3 H 1 3.72 0.05 . 1 . . . . . . . . 5573 1 602 . 1 1 65 65 SER C C 13 172.10 0.60 . 1 . . . . . . . . 5573 1 603 . 1 1 65 65 SER CA C 13 55.87 0.60 . 1 . . . . . . . . 5573 1 604 . 1 1 65 65 SER CB C 13 64.98 0.60 . 1 . . . . . . . . 5573 1 605 . 1 1 65 65 SER N N 15 122.62 0.60 . 1 . . . . . . . . 5573 1 606 . 1 1 66 66 THR H H 1 7.94 0.05 . 1 . . . . . . . . 5573 1 607 . 1 1 66 66 THR HA H 1 4.27 0.05 . 1 . . . . . . . . 5573 1 608 . 1 1 66 66 THR HB H 1 4.59 0.05 . 1 . . . . . . . . 5573 1 609 . 1 1 66 66 THR HG21 H 1 1.27 0.05 . 1 . . . . . . . . 5573 1 610 . 1 1 66 66 THR HG22 H 1 1.27 0.05 . 1 . . . . . . . . 5573 1 611 . 1 1 66 66 THR HG23 H 1 1.27 0.05 . 1 . . . . . . . . 5573 1 612 . 1 1 66 66 THR C C 13 173.54 0.60 . 1 . . . . . . . . 5573 1 613 . 1 1 66 66 THR CA C 13 61.68 0.60 . 1 . . . . . . . . 5573 1 614 . 1 1 66 66 THR CB C 13 65.30 0.60 . 1 . . . . . . . . 5573 1 615 . 1 1 66 66 THR CG2 C 13 23.72 0.60 . 1 . . . . . . . . 5573 1 616 . 1 1 66 66 THR N N 15 117.61 0.60 . 1 . . . . . . . . 5573 1 617 . 1 1 67 67 CYS H H 1 8.37 0.05 . 1 . . . . . . . . 5573 1 618 . 1 1 67 67 CYS HA H 1 5.31 0.05 . 1 . . . . . . . . 5573 1 619 . 1 1 67 67 CYS HB2 H 1 2.46 0.05 . 1 . . . . . . . . 5573 1 620 . 1 1 67 67 CYS HB3 H 1 2.82 0.05 . 1 . . . . . . . . 5573 1 621 . 1 1 67 67 CYS C C 13 173.12 0.60 . 1 . . . . . . . . 5573 1 622 . 1 1 67 67 CYS CA C 13 55.03 0.60 . 1 . . . . . . . . 5573 1 623 . 1 1 67 67 CYS CB C 13 49.67 0.60 . 1 . . . . . . . . 5573 1 624 . 1 1 67 67 CYS N N 15 116.83 0.60 . 1 . . . . . . . . 5573 1 625 . 1 1 68 68 ILE H H 1 9.43 0.05 . 1 . . . . . . . . 5573 1 626 . 1 1 68 68 ILE HA H 1 4.76 0.05 . 1 . . . . . . . . 5573 1 627 . 1 1 68 68 ILE HB H 1 1.97 0.05 . 1 . . . . . . . . 5573 1 628 . 1 1 68 68 ILE HG12 H 1 1.28 0.05 . 1 . . . . . . . . 5573 1 629 . 1 1 68 68 ILE HG13 H 1 1.60 0.05 . 1 . . . . . . . . 5573 1 630 . 1 1 68 68 ILE HG21 H 1 0.83 0.05 . 1 . . . . . . . . 5573 1 631 . 1 1 68 68 ILE HG22 H 1 0.83 0.05 . 1 . . . . . . . . 5573 1 632 . 1 1 68 68 ILE HG23 H 1 0.83 0.05 . 1 . . . . . . . . 5573 1 633 . 1 1 68 68 ILE HD11 H 1 0.87 0.05 . 1 . . . . . . . . 5573 1 634 . 1 1 68 68 ILE HD12 H 1 0.87 0.05 . 1 . . . . . . . . 5573 1 635 . 1 1 68 68 ILE HD13 H 1 0.87 0.05 . 1 . . . . . . . . 5573 1 636 . 1 1 68 68 ILE C C 13 175.81 0.60 . 1 . . . . . . . . 5573 1 637 . 1 1 68 68 ILE CA C 13 60.37 0.60 . 1 . . . . . . . . 5573 1 638 . 1 1 68 68 ILE CB C 13 38.10 0.60 . 1 . . . . . . . . 5573 1 639 . 1 1 68 68 ILE CG1 C 13 27.39 0.60 . 1 . . . . . . . . 5573 1 640 . 1 1 68 68 ILE CG2 C 13 17.45 0.60 . 1 . . . . . . . . 5573 1 641 . 1 1 68 68 ILE CD1 C 13 12.38 0.60 . 1 . . . . . . . . 5573 1 642 . 1 1 68 68 ILE N N 15 122.97 0.60 . 1 . . . . . . . . 5573 1 643 . 1 1 69 69 ILE H H 1 9.21 0.05 . 1 . . . . . . . . 5573 1 644 . 1 1 69 69 ILE HA H 1 4.47 0.05 . 1 . . . . . . . . 5573 1 645 . 1 1 69 69 ILE HB H 1 1.96 0.05 . 1 . . . . . . . . 5573 1 646 . 1 1 69 69 ILE HG12 H 1 0.90 0.05 . 1 . . . . . . . . 5573 1 647 . 1 1 69 69 ILE HG13 H 1 1.39 0.05 . 1 . . . . . . . . 5573 1 648 . 1 1 69 69 ILE HD11 H 1 0.90 0.05 . 1 . . . . . . . . 5573 1 649 . 1 1 69 69 ILE HD12 H 1 0.90 0.05 . 1 . . . . . . . . 5573 1 650 . 1 1 69 69 ILE HD13 H 1 0.90 0.05 . 1 . . . . . . . . 5573 1 651 . 1 1 69 69 ILE C C 13 174.82 0.60 . 1 . . . . . . . . 5573 1 652 . 1 1 69 69 ILE CA C 13 60.65 0.60 . 1 . . . . . . . . 5573 1 653 . 1 1 69 69 ILE CB C 13 40.12 0.60 . 1 . . . . . . . . 5573 1 654 . 1 1 69 69 ILE CG1 C 13 28.22 0.60 . 1 . . . . . . . . 5573 1 655 . 1 1 69 69 ILE CG2 C 13 18.35 0.60 . 1 . . . . . . . . 5573 1 656 . 1 1 69 69 ILE CD1 C 13 15.68 0.60 . 1 . . . . . . . . 5573 1 657 . 1 1 69 69 ILE N N 15 128.90 0.60 . 1 . . . . . . . . 5573 1 658 . 1 1 70 70 THR H H 1 7.91 0.05 . 1 . . . . . . . . 5573 1 659 . 1 1 70 70 THR HA H 1 5.17 0.05 . 1 . . . . . . . . 5573 1 660 . 1 1 70 70 THR HB H 1 3.95 0.05 . 1 . . . . . . . . 5573 1 661 . 1 1 70 70 THR HG21 H 1 1.17 0.05 . 1 . . . . . . . . 5573 1 662 . 1 1 70 70 THR HG22 H 1 1.17 0.05 . 1 . . . . . . . . 5573 1 663 . 1 1 70 70 THR HG23 H 1 1.17 0.05 . 1 . . . . . . . . 5573 1 664 . 1 1 70 70 THR C C 13 176.39 0.60 . 1 . . . . . . . . 5573 1 665 . 1 1 70 70 THR CA C 13 60.97 0.60 . 1 . . . . . . . . 5573 1 666 . 1 1 70 70 THR CB C 13 70.34 0.60 . 1 . . . . . . . . 5573 1 667 . 1 1 70 70 THR CG2 C 13 21.88 0.60 . 1 . . . . . . . . 5573 1 668 . 1 1 70 70 THR N N 15 123.47 0.60 . 1 . . . . . . . . 5573 1 669 . 1 1 71 71 GLY H H 1 8.85 0.05 . 1 . . . . . . . . 5573 1 670 . 1 1 71 71 GLY HA2 H 1 3.90 0.05 . 1 . . . . . . . . 5573 1 671 . 1 1 71 71 GLY HA3 H 1 4.35 0.05 . 1 . . . . . . . . 5573 1 672 . 1 1 71 71 GLY C C 13 175.27 0.60 . 1 . . . . . . . . 5573 1 673 . 1 1 71 71 GLY CA C 13 47.63 0.60 . 1 . . . . . . . . 5573 1 674 . 1 1 71 71 GLY N N 15 119.23 0.60 . 1 . . . . . . . . 5573 1 675 . 1 1 72 72 GLY H H 1 8.78 0.05 . 1 . . . . . . . . 5573 1 676 . 1 1 72 72 GLY HA2 H 1 3.21 0.05 . 1 . . . . . . . . 5573 1 677 . 1 1 72 72 GLY HA3 H 1 4.08 0.05 . 1 . . . . . . . . 5573 1 678 . 1 1 72 72 GLY C C 13 171.74 0.60 . 1 . . . . . . . . 5573 1 679 . 1 1 72 72 GLY CA C 13 44.82 0.60 . 1 . . . . . . . . 5573 1 680 . 1 1 72 72 GLY N N 15 113.57 0.60 . 1 . . . . . . . . 5573 1 681 . 1 1 73 73 VAL H H 1 7.53 0.05 . 1 . . . . . . . . 5573 1 682 . 1 1 73 73 VAL HA H 1 4.31 0.05 . 1 . . . . . . . . 5573 1 683 . 1 1 73 73 VAL HB H 1 2.17 0.05 . 1 . . . . . . . . 5573 1 684 . 1 1 73 73 VAL HG11 H 1 0.85 0.05 . 1 . . . . . . . . 5573 1 685 . 1 1 73 73 VAL HG12 H 1 0.85 0.05 . 1 . . . . . . . . 5573 1 686 . 1 1 73 73 VAL HG13 H 1 0.85 0.05 . 1 . . . . . . . . 5573 1 687 . 1 1 73 73 VAL HG21 H 1 0.65 0.05 . 1 . . . . . . . . 5573 1 688 . 1 1 73 73 VAL HG22 H 1 0.65 0.05 . 1 . . . . . . . . 5573 1 689 . 1 1 73 73 VAL HG23 H 1 0.65 0.05 . 1 . . . . . . . . 5573 1 690 . 1 1 73 73 VAL C C 13 174.89 0.60 . 1 . . . . . . . . 5573 1 691 . 1 1 73 73 VAL CA C 13 59.32 0.60 . 1 . . . . . . . . 5573 1 692 . 1 1 73 73 VAL CB C 13 34.24 0.60 . 1 . . . . . . . . 5573 1 693 . 1 1 73 73 VAL CG1 C 13 20.64 0.60 . 1 . . . . . . . . 5573 1 694 . 1 1 73 73 VAL CG2 C 13 18.16 0.60 . 1 . . . . . . . . 5573 1 695 . 1 1 73 73 VAL N N 15 120.01 0.60 . 1 . . . . . . . . 5573 1 696 . 1 1 74 74 PRO HA H 1 4.75 0.05 . 1 . . . . . . . . 5573 1 697 . 1 1 74 74 PRO HB2 H 1 1.68 0.05 . 1 . . . . . . . . 5573 1 698 . 1 1 74 74 PRO HB3 H 1 1.82 0.05 . 1 . . . . . . . . 5573 1 699 . 1 1 74 74 PRO HG2 H 1 3.06 0.05 . 1 . . . . . . . . 5573 1 700 . 1 1 74 74 PRO HG3 H 1 3.51 0.05 . 1 . . . . . . . . 5573 1 701 . 1 1 74 74 PRO HD2 H 1 0.95 0.05 . 1 . . . . . . . . 5573 1 702 . 1 1 74 74 PRO HD3 H 1 1.78 0.05 . 1 . . . . . . . . 5573 1 703 . 1 1 74 74 PRO C C 13 175.44 0.60 . 1 . . . . . . . . 5573 1 704 . 1 1 74 74 PRO CA C 13 61.39 0.60 . 1 . . . . . . . . 5573 1 705 . 1 1 74 74 PRO CB C 13 31.82 0.60 . 1 . . . . . . . . 5573 1 706 . 1 1 74 74 PRO CG C 13 27.31 0.60 . 1 . . . . . . . . 5573 1 707 . 1 1 74 74 PRO CD C 13 51.15 0.60 . 1 . . . . . . . . 5573 1 708 . 1 1 75 75 ALA H H 1 8.93 0.05 . 1 . . . . . . . . 5573 1 709 . 1 1 75 75 ALA HA H 1 4.73 0.05 . 1 . . . . . . . . 5573 1 710 . 1 1 75 75 ALA HB1 H 1 1.49 0.05 . 1 . . . . . . . . 5573 1 711 . 1 1 75 75 ALA HB2 H 1 1.49 0.05 . 1 . . . . . . . . 5573 1 712 . 1 1 75 75 ALA HB3 H 1 1.49 0.05 . 1 . . . . . . . . 5573 1 713 . 1 1 75 75 ALA C C 13 176.56 0.60 . 1 . . . . . . . . 5573 1 714 . 1 1 75 75 ALA CA C 13 50.00 0.60 . 1 . . . . . . . . 5573 1 715 . 1 1 75 75 ALA CB C 13 17.58 0.60 . 1 . . . . . . . . 5573 1 716 . 1 1 75 75 ALA N N 15 129.87 0.60 . 1 . . . . . . . . 5573 1 717 . 1 1 76 76 PRO HA H 1 4.51 0.05 . 1 . . . . . . . . 5573 1 718 . 1 1 76 76 PRO HB2 H 1 1.97 0.05 . 1 . . . . . . . . 5573 1 719 . 1 1 76 76 PRO HB3 H 1 2.19 0.05 . 1 . . . . . . . . 5573 1 720 . 1 1 76 76 PRO HG2 H 1 3.67 0.05 . 1 . . . . . . . . 5573 1 721 . 1 1 76 76 PRO HG3 H 1 3.97 0.05 . 1 . . . . . . . . 5573 1 722 . 1 1 76 76 PRO HD2 H 1 2.02 0.05 . 1 . . . . . . . . 5573 1 723 . 1 1 76 76 PRO HD3 H 1 2.14 0.05 . 1 . . . . . . . . 5573 1 724 . 1 1 76 76 PRO C C 13 177.28 0.60 . 1 . . . . . . . . 5573 1 725 . 1 1 76 76 PRO CA C 13 62.95 0.60 . 1 . . . . . . . . 5573 1 726 . 1 1 76 76 PRO CB C 13 31.45 0.60 . 1 . . . . . . . . 5573 1 727 . 1 1 76 76 PRO CG C 13 26.71 0.60 . 1 . . . . . . . . 5573 1 728 . 1 1 76 76 PRO CD C 13 51.71 0.60 . 1 . . . . . . . . 5573 1 729 . 1 1 77 77 SER H H 1 8.30 0.05 . 1 . . . . . . . . 5573 1 730 . 1 1 77 77 SER HA H 1 4.55 0.05 . 1 . . . . . . . . 5573 1 731 . 1 1 77 77 SER HB2 H 1 3.75 0.05 . 1 . . . . . . . . 5573 1 732 . 1 1 77 77 SER HB3 H 1 4.28 0.05 . 1 . . . . . . . . 5573 1 733 . 1 1 77 77 SER C C 13 174.94 0.60 . 1 . . . . . . . . 5573 1 734 . 1 1 77 77 SER CA C 13 57.53 0.60 . 1 . . . . . . . . 5573 1 735 . 1 1 77 77 SER CB C 13 64.64 0.60 . 1 . . . . . . . . 5573 1 736 . 1 1 77 77 SER N N 15 118.69 0.60 . 1 . . . . . . . . 5573 1 737 . 1 1 78 78 ALA H H 1 9.13 0.05 . 1 . . . . . . . . 5573 1 738 . 1 1 78 78 ALA HA H 1 4.24 0.05 . 1 . . . . . . . . 5573 1 739 . 1 1 78 78 ALA HB1 H 1 1.47 0.05 . 1 . . . . . . . . 5573 1 740 . 1 1 78 78 ALA HB2 H 1 1.47 0.05 . 1 . . . . . . . . 5573 1 741 . 1 1 78 78 ALA HB3 H 1 1.47 0.05 . 1 . . . . . . . . 5573 1 742 . 1 1 78 78 ALA C C 13 178.17 0.60 . 1 . . . . . . . . 5573 1 743 . 1 1 78 78 ALA CA C 13 54.52 0.60 . 1 . . . . . . . . 5573 1 744 . 1 1 78 78 ALA CB C 13 18.35 0.60 . 1 . . . . . . . . 5573 1 745 . 1 1 78 78 ALA N N 15 128.67 0.60 . 1 . . . . . . . . 5573 1 746 . 1 1 79 79 ALA H H 1 7.97 0.05 . 1 . . . . . . . . 5573 1 747 . 1 1 79 79 ALA HA H 1 4.31 0.05 . 1 . . . . . . . . 5573 1 748 . 1 1 79 79 ALA HB1 H 1 1.46 0.05 . 1 . . . . . . . . 5573 1 749 . 1 1 79 79 ALA HB2 H 1 1.46 0.05 . 1 . . . . . . . . 5573 1 750 . 1 1 79 79 ALA HB3 H 1 1.46 0.05 . 1 . . . . . . . . 5573 1 751 . 1 1 79 79 ALA C C 13 176.65 0.60 . 1 . . . . . . . . 5573 1 752 . 1 1 79 79 ALA CA C 13 52.46 0.60 . 1 . . . . . . . . 5573 1 753 . 1 1 79 79 ALA CB C 13 20.20 0.60 . 1 . . . . . . . . 5573 1 754 . 1 1 79 79 ALA N N 15 117.80 0.60 . 1 . . . . . . . . 5573 1 755 . 1 1 80 80 CYS H H 1 7.15 0.05 . 1 . . . . . . . . 5573 1 756 . 1 1 80 80 CYS HA H 1 5.07 0.05 . 1 . . . . . . . . 5573 1 757 . 1 1 80 80 CYS HB2 H 1 2.88 0.05 . 1 . . . . . . . . 5573 1 758 . 1 1 80 80 CYS HB3 H 1 3.70 0.05 . 1 . . . . . . . . 5573 1 759 . 1 1 80 80 CYS C C 13 174.74 0.60 . 1 . . . . . . . . 5573 1 760 . 1 1 80 80 CYS CA C 13 55.72 0.60 . 1 . . . . . . . . 5573 1 761 . 1 1 80 80 CYS CB C 13 37.88 0.60 . 1 . . . . . . . . 5573 1 762 . 1 1 80 80 CYS N N 15 116.17 0.60 . 1 . . . . . . . . 5573 1 763 . 1 1 81 81 LYS H H 1 9.06 0.05 . 1 . . . . . . . . 5573 1 764 . 1 1 81 81 LYS HA H 1 4.80 0.05 . 1 . . . . . . . . 5573 1 765 . 1 1 81 81 LYS HB2 H 1 1.79 0.05 . 1 . . . . . . . . 5573 1 766 . 1 1 81 81 LYS HB3 H 1 1.79 0.05 . 1 . . . . . . . . 5573 1 767 . 1 1 81 81 LYS HG2 H 1 1.44 0.05 . 1 . . . . . . . . 5573 1 768 . 1 1 81 81 LYS HG3 H 1 1.44 0.05 . 1 . . . . . . . . 5573 1 769 . 1 1 81 81 LYS HE2 H 1 1.10 0.05 . 1 . . . . . . . . 5573 1 770 . 1 1 81 81 LYS HE3 H 1 1.10 0.05 . 1 . . . . . . . . 5573 1 771 . 1 1 81 81 LYS C C 13 174.80 0.60 . 1 . . . . . . . . 5573 1 772 . 1 1 81 81 LYS CA C 13 54.46 0.60 . 1 . . . . . . . . 5573 1 773 . 1 1 81 81 LYS CB C 13 34.11 0.60 . 1 . . . . . . . . 5573 1 774 . 1 1 81 81 LYS CG C 13 24.13 0.60 . 1 . . . . . . . . 5573 1 775 . 1 1 81 81 LYS CD C 13 28.95 0.60 . 1 . . . . . . . . 5573 1 776 . 1 1 81 81 LYS CE C 13 42.64 0.60 . 1 . . . . . . . . 5573 1 777 . 1 1 81 81 LYS N N 15 127.60 0.60 . 1 . . . . . . . . 5573 1 778 . 1 1 82 82 ILE H H 1 8.49 0.05 . 1 . . . . . . . . 5573 1 779 . 1 1 82 82 ILE HB H 1 1.67 0.05 . 1 . . . . . . . . 5573 1 780 . 1 1 82 82 ILE HG12 H 1 1.09 0.05 . 1 . . . . . . . . 5573 1 781 . 1 1 82 82 ILE HG13 H 1 1.09 0.05 . 1 . . . . . . . . 5573 1 782 . 1 1 82 82 ILE HG21 H 1 1.09 0.05 . 1 . . . . . . . . 5573 1 783 . 1 1 82 82 ILE HG22 H 1 1.09 0.05 . 1 . . . . . . . . 5573 1 784 . 1 1 82 82 ILE HG23 H 1 1.09 0.05 . 1 . . . . . . . . 5573 1 785 . 1 1 82 82 ILE HD11 H 1 0.88 0.05 . 1 . . . . . . . . 5573 1 786 . 1 1 82 82 ILE HD12 H 1 0.88 0.05 . 1 . . . . . . . . 5573 1 787 . 1 1 82 82 ILE HD13 H 1 0.88 0.05 . 1 . . . . . . . . 5573 1 788 . 1 1 82 82 ILE C C 13 176.06 0.60 . 1 . . . . . . . . 5573 1 789 . 1 1 82 82 ILE CA C 13 60.52 0.60 . 1 . . . . . . . . 5573 1 790 . 1 1 82 82 ILE CB C 13 42.84 0.60 . 1 . . . . . . . . 5573 1 791 . 1 1 82 82 ILE CG1 C 13 29.29 0.60 . 1 . . . . . . . . 5573 1 792 . 1 1 82 82 ILE CG2 C 13 18.78 0.60 . 1 . . . . . . . . 5573 1 793 . 1 1 82 82 ILE CD1 C 13 14.68 0.60 . 1 . . . . . . . . 5573 1 794 . 1 1 82 82 ILE N N 15 124.68 0.60 . 1 . . . . . . . . 5573 1 795 . 1 1 83 83 SER H H 1 9.03 0.05 . 1 . . . . . . . . 5573 1 796 . 1 1 83 83 SER HA H 1 4.76 0.05 . 1 . . . . . . . . 5573 1 797 . 1 1 83 83 SER HB2 H 1 3.86 0.05 . 1 . . . . . . . . 5573 1 798 . 1 1 83 83 SER HB3 H 1 3.86 0.05 . 1 . . . . . . . . 5573 1 799 . 1 1 83 83 SER C C 13 173.60 0.60 . 1 . . . . . . . . 5573 1 800 . 1 1 83 83 SER CA C 13 57.51 0.60 . 1 . . . . . . . . 5573 1 801 . 1 1 83 83 SER CB C 13 65.03 0.60 . 1 . . . . . . . . 5573 1 802 . 1 1 83 83 SER N N 15 120.94 0.60 . 1 . . . . . . . . 5573 1 803 . 1 1 84 84 GLY H H 1 8.97 0.05 . 1 . . . . . . . . 5573 1 804 . 1 1 84 84 GLY HA2 H 1 3.88 0.05 . 1 . . . . . . . . 5573 1 805 . 1 1 84 84 GLY HA3 H 1 4.16 0.05 . 1 . . . . . . . . 5573 1 806 . 1 1 84 84 GLY C C 13 174.91 0.60 . 1 . . . . . . . . 5573 1 807 . 1 1 84 84 GLY CA C 13 46.78 0.60 . 1 . . . . . . . . 5573 1 808 . 1 1 84 84 GLY N N 15 112.78 0.60 . 1 . . . . . . . . 5573 1 809 . 1 1 85 85 CYS H H 1 7.91 0.05 . 1 . . . . . . . . 5573 1 810 . 1 1 85 85 CYS HA H 1 5.10 0.05 . 1 . . . . . . . . 5573 1 811 . 1 1 85 85 CYS HB2 H 1 2.06 0.05 . 1 . . . . . . . . 5573 1 812 . 1 1 85 85 CYS HB3 H 1 2.43 0.05 . 1 . . . . . . . . 5573 1 813 . 1 1 85 85 CYS C C 13 174.06 0.60 . 1 . . . . . . . . 5573 1 814 . 1 1 85 85 CYS CA C 13 55.41 0.60 . 1 . . . . . . . . 5573 1 815 . 1 1 85 85 CYS CB C 13 47.89 0.60 . 1 . . . . . . . . 5573 1 816 . 1 1 85 85 CYS N N 15 116.13 0.60 . 1 . . . . . . . . 5573 1 817 . 1 1 86 86 THR H H 1 8.80 0.05 . 1 . . . . . . . . 5573 1 818 . 1 1 86 86 THR HA H 1 4.43 0.05 . 1 . . . . . . . . 5573 1 819 . 1 1 86 86 THR HB H 1 4.02 0.05 . 1 . . . . . . . . 5573 1 820 . 1 1 86 86 THR HG21 H 1 1.21 0.05 . 1 . . . . . . . . 5573 1 821 . 1 1 86 86 THR HG22 H 1 1.21 0.05 . 1 . . . . . . . . 5573 1 822 . 1 1 86 86 THR HG23 H 1 1.21 0.05 . 1 . . . . . . . . 5573 1 823 . 1 1 86 86 THR C C 13 172.88 0.60 . 1 . . . . . . . . 5573 1 824 . 1 1 86 86 THR CA C 13 61.86 0.60 . 1 . . . . . . . . 5573 1 825 . 1 1 86 86 THR CB C 13 70.51 0.60 . 1 . . . . . . . . 5573 1 826 . 1 1 86 86 THR CG2 C 13 21.45 0.60 . 1 . . . . . . . . 5573 1 827 . 1 1 86 86 THR N N 15 118.31 0.60 . 1 . . . . . . . . 5573 1 828 . 1 1 87 87 PHE H H 1 9.12 0.05 . 1 . . . . . . . . 5573 1 829 . 1 1 87 87 PHE HA H 1 5.65 0.05 . 1 . . . . . . . . 5573 1 830 . 1 1 87 87 PHE HB2 H 1 2.90 0.05 . 1 . . . . . . . . 5573 1 831 . 1 1 87 87 PHE HB3 H 1 3.46 0.05 . 1 . . . . . . . . 5573 1 832 . 1 1 87 87 PHE HD1 H 1 7.18 0.05 . 3 . . . . . . . . 5573 1 833 . 1 1 87 87 PHE HE1 H 1 7.26 0.05 . 3 . . . . . . . . 5573 1 834 . 1 1 87 87 PHE HZ H 1 7.09 0.05 . 1 . . . . . . . . 5573 1 835 . 1 1 87 87 PHE C C 13 176.20 0.60 . 1 . . . . . . . . 5573 1 836 . 1 1 87 87 PHE CA C 13 57.30 0.60 . 1 . . . . . . . . 5573 1 837 . 1 1 87 87 PHE CB C 13 44.95 0.60 . 1 . . . . . . . . 5573 1 838 . 1 1 87 87 PHE N N 15 123.29 0.60 . 1 . . . . . . . . 5573 1 839 . 1 1 88 88 SER H H 1 9.06 0.05 . 1 . . . . . . . . 5573 1 840 . 1 1 88 88 SER HA H 1 4.82 0.05 . 1 . . . . . . . . 5573 1 841 . 1 1 88 88 SER HB2 H 1 4.08 0.05 . 1 . . . . . . . . 5573 1 842 . 1 1 88 88 SER HB3 H 1 4.08 0.05 . 1 . . . . . . . . 5573 1 843 . 1 1 88 88 SER C C 13 173.44 0.60 . 1 . . . . . . . . 5573 1 844 . 1 1 88 88 SER CA C 13 58.04 0.60 . 1 . . . . . . . . 5573 1 845 . 1 1 88 88 SER CB C 13 65.59 0.60 . 1 . . . . . . . . 5573 1 846 . 1 1 88 88 SER N N 15 112.46 0.60 . 1 . . . . . . . . 5573 1 847 . 1 1 89 89 ALA H H 1 9.00 0.05 . 1 . . . . . . . . 5573 1 848 . 1 1 89 89 ALA HA H 1 4.31 0.05 . 1 . . . . . . . . 5573 1 849 . 1 1 89 89 ALA HB1 H 1 1.49 0.05 . 1 . . . . . . . . 5573 1 850 . 1 1 89 89 ALA HB2 H 1 1.49 0.05 . 1 . . . . . . . . 5573 1 851 . 1 1 89 89 ALA HB3 H 1 1.49 0.05 . 1 . . . . . . . . 5573 1 852 . 1 1 89 89 ALA C C 13 176.15 0.60 . 1 . . . . . . . . 5573 1 853 . 1 1 89 89 ALA CA C 13 53.22 0.60 . 1 . . . . . . . . 5573 1 854 . 1 1 89 89 ALA CB C 13 18.98 0.60 . 1 . . . . . . . . 5573 1 855 . 1 1 89 89 ALA N N 15 125.63 0.60 . 1 . . . . . . . . 5573 1 856 . 1 1 90 90 ASN H H 1 7.75 0.05 . 1 . . . . . . . . 5573 1 857 . 1 1 90 90 ASN HA H 1 4.70 0.05 . 1 . . . . . . . . 5573 1 858 . 1 1 90 90 ASN HB2 H 1 2.08 0.05 . 1 . . . . . . . . 5573 1 859 . 1 1 90 90 ASN HB3 H 1 2.50 0.05 . 1 . . . . . . . . 5573 1 860 . 1 1 90 90 ASN HD21 H 1 7.19 0.05 . 1 . . . . . . . . 5573 1 861 . 1 1 90 90 ASN HD22 H 1 6.72 0.05 . 1 . . . . . . . . 5573 1 862 . 1 1 90 90 ASN C C 13 179.05 0.60 . 1 . . . . . . . . 5573 1 863 . 1 1 90 90 ASN CA C 13 53.74 0.60 . 1 . . . . . . . . 5573 1 864 . 1 1 90 90 ASN CB C 13 42.47 0.60 . 1 . . . . . . . . 5573 1 865 . 1 1 90 90 ASN N N 15 124.96 0.60 . 1 . . . . . . . . 5573 1 stop_ save_