data_5572 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5572 _Entry.Title ; Beta-helix structure and ice-binding properties of a hyperactive antifreeze protein from an insect ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-11-04 _Entry.Accession_date 2002-11-04 _Entry.Last_release_date 2002-12-27 _Entry.Original_release_date 2002-12-27 _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 . 5572 2 Michael Kuiper . J . 5572 3 Stephane Gagne . M . 5572 4 Virginia Walker . K . 5572 5 Zongchao Jia . . . 5572 6 Brian Sykes . D . 5572 7 Peter Davies . L . 5572 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5572 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 226 5572 '15N chemical shifts' 93 5572 '1H chemical shifts' 495 5572 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 . . 2002-12-27 2002-11-04 original author . 5572 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5573 'Spruce budworm antifreeze protein (5 C)' 5572 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5572 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20372205 _Citation.DOI . _Citation.PubMed_ID 10917537 _Citation.Full_citation . _Citation.Title ; Beta-helix structure and ice-binding properties of a hyperactive antifreeze protein from an insect ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 406 _Citation.Journal_issue 6793 _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 325 _Citation.Page_last 328 _Citation.Year 2000 _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 . 5572 1 2 Michael Kuiper . J . 5572 1 3 Stephane Gagne . M . 5572 1 4 Virginia Walker . K . 5572 1 5 Zongchao Jia . . . 5572 1 6 Brian Sykes . D . 5572 1 7 Peter Davies . L . 5572 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID antifreeze 5572 1 beta-helix 5572 1 ice 5572 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_sbwAFP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_sbwAFP _Assembly.Entry_ID 5572 _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 5572 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 . . . . . 5572 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 . . . . . . . . . . 5572 1 2 disulfide single . 1 . . CYS 25 25 SG . 1 . 1 CYS 37 37 SG . . . . . . . . . . 5572 1 3 disulfide single . 1 . . CYS 62 62 SG . 1 . 1 CYS 85 85 SG . . . . . . . . . . 5572 1 4 disulfide single . 1 . . CYS 67 67 SG . 1 . 1 CYS 80 80 SG . . . . . . . . . . 5572 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 . . . . . . 5572 1 . PDB 1EWW . . . . . . 5572 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID sbwAFP abbreviation 5572 1 'spruce budworm antifreeze protein' system 5572 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ice growth inhibition' 5572 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_sbwAFP _Entity.Sf_category entity _Entity.Sf_framecode sbwAFP _Entity.Entry_ID 5572 _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 . _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 5573 . sbwAFP . . . . . 100.00 90 100.00 100.00 1.05e-53 . . . . 5572 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 . . . . 5572 1 3 no PDB 1L0S . "Choristoneura Fumiferana (Spruce Budworm) Antifreeze Protein Isoform 337" . . . . . 100.00 90 97.78 98.89 7.62e-52 . . . . 5572 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 . . . . 5572 1 5 no GB AAG32660 . "thermal hysteresis protein precursor [Choristoneura fumiferana]" . . . . . 100.00 108 100.00 100.00 2.80e-54 . . . . 5572 1 6 no GB AAG33032 . "thermal hysteresis protein [synthetic construct]" . . . . . 100.00 91 100.00 100.00 9.63e-54 . . . . 5572 1 7 no GB AAG33033 . "PR-S/thermal hysteresis protein fusion protein [synthetic construct]" . . . . . 100.00 115 100.00 100.00 7.65e-54 . . . . 5572 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Choristoneura fumiferana antifreeze protein' variant 5572 1 sbwAFP abbreviation 5572 1 'spruce budworm antifreeze protein' common 5572 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 . 5572 1 2 . GLY . 5572 1 3 . SER . 5572 1 4 . CYS . 5572 1 5 . THR . 5572 1 6 . ASN . 5572 1 7 . THR . 5572 1 8 . ASN . 5572 1 9 . SER . 5572 1 10 . GLN . 5572 1 11 . LEU . 5572 1 12 . SER . 5572 1 13 . ALA . 5572 1 14 . ASN . 5572 1 15 . SER . 5572 1 16 . LYS . 5572 1 17 . CYS . 5572 1 18 . GLU . 5572 1 19 . LYS . 5572 1 20 . SER . 5572 1 21 . THR . 5572 1 22 . LEU . 5572 1 23 . THR . 5572 1 24 . ASN . 5572 1 25 . CYS . 5572 1 26 . TYR . 5572 1 27 . VAL . 5572 1 28 . ASP . 5572 1 29 . LYS . 5572 1 30 . SER . 5572 1 31 . GLU . 5572 1 32 . VAL . 5572 1 33 . TYR . 5572 1 34 . GLY . 5572 1 35 . THR . 5572 1 36 . THR . 5572 1 37 . CYS . 5572 1 38 . THR . 5572 1 39 . GLY . 5572 1 40 . SER . 5572 1 41 . ARG . 5572 1 42 . PHE . 5572 1 43 . ASP . 5572 1 44 . GLY . 5572 1 45 . VAL . 5572 1 46 . THR . 5572 1 47 . ILE . 5572 1 48 . THR . 5572 1 49 . THR . 5572 1 50 . SER . 5572 1 51 . THR . 5572 1 52 . SER . 5572 1 53 . THR . 5572 1 54 . GLY . 5572 1 55 . SER . 5572 1 56 . ARG . 5572 1 57 . ILE . 5572 1 58 . SER . 5572 1 59 . GLY . 5572 1 60 . PRO . 5572 1 61 . GLY . 5572 1 62 . CYS . 5572 1 63 . LYS . 5572 1 64 . ILE . 5572 1 65 . SER . 5572 1 66 . THR . 5572 1 67 . CYS . 5572 1 68 . ILE . 5572 1 69 . ILE . 5572 1 70 . THR . 5572 1 71 . GLY . 5572 1 72 . GLY . 5572 1 73 . VAL . 5572 1 74 . PRO . 5572 1 75 . ALA . 5572 1 76 . PRO . 5572 1 77 . SER . 5572 1 78 . ALA . 5572 1 79 . ALA . 5572 1 80 . CYS . 5572 1 81 . LYS . 5572 1 82 . ILE . 5572 1 83 . SER . 5572 1 84 . GLY . 5572 1 85 . CYS . 5572 1 86 . THR . 5572 1 87 . PHE . 5572 1 88 . SER . 5572 1 89 . ALA . 5572 1 90 . ASN . 5572 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 5572 1 . GLY 2 2 5572 1 . SER 3 3 5572 1 . CYS 4 4 5572 1 . THR 5 5 5572 1 . ASN 6 6 5572 1 . THR 7 7 5572 1 . ASN 8 8 5572 1 . SER 9 9 5572 1 . GLN 10 10 5572 1 . LEU 11 11 5572 1 . SER 12 12 5572 1 . ALA 13 13 5572 1 . ASN 14 14 5572 1 . SER 15 15 5572 1 . LYS 16 16 5572 1 . CYS 17 17 5572 1 . GLU 18 18 5572 1 . LYS 19 19 5572 1 . SER 20 20 5572 1 . THR 21 21 5572 1 . LEU 22 22 5572 1 . THR 23 23 5572 1 . ASN 24 24 5572 1 . CYS 25 25 5572 1 . TYR 26 26 5572 1 . VAL 27 27 5572 1 . ASP 28 28 5572 1 . LYS 29 29 5572 1 . SER 30 30 5572 1 . GLU 31 31 5572 1 . VAL 32 32 5572 1 . TYR 33 33 5572 1 . GLY 34 34 5572 1 . THR 35 35 5572 1 . THR 36 36 5572 1 . CYS 37 37 5572 1 . THR 38 38 5572 1 . GLY 39 39 5572 1 . SER 40 40 5572 1 . ARG 41 41 5572 1 . PHE 42 42 5572 1 . ASP 43 43 5572 1 . GLY 44 44 5572 1 . VAL 45 45 5572 1 . THR 46 46 5572 1 . ILE 47 47 5572 1 . THR 48 48 5572 1 . THR 49 49 5572 1 . SER 50 50 5572 1 . THR 51 51 5572 1 . SER 52 52 5572 1 . THR 53 53 5572 1 . GLY 54 54 5572 1 . SER 55 55 5572 1 . ARG 56 56 5572 1 . ILE 57 57 5572 1 . SER 58 58 5572 1 . GLY 59 59 5572 1 . PRO 60 60 5572 1 . GLY 61 61 5572 1 . CYS 62 62 5572 1 . LYS 63 63 5572 1 . ILE 64 64 5572 1 . SER 65 65 5572 1 . THR 66 66 5572 1 . CYS 67 67 5572 1 . ILE 68 68 5572 1 . ILE 69 69 5572 1 . THR 70 70 5572 1 . GLY 71 71 5572 1 . GLY 72 72 5572 1 . VAL 73 73 5572 1 . PRO 74 74 5572 1 . ALA 75 75 5572 1 . PRO 76 76 5572 1 . SER 77 77 5572 1 . ALA 78 78 5572 1 . ALA 79 79 5572 1 . CYS 80 80 5572 1 . LYS 81 81 5572 1 . ILE 82 82 5572 1 . SER 83 83 5572 1 . GLY 84 84 5572 1 . CYS 85 85 5572 1 . THR 86 86 5572 1 . PHE 87 87 5572 1 . SER 88 88 5572 1 . ALA 89 89 5572 1 . ASN 90 90 5572 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 5572 _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 . . 'Choristoneura fumiferana' 'Spruce budworm' . . Eukaryota Metazoa Choristoneura fumiferana . . . . . . . . . . . . . . . . . . . . . 5572 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 5572 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5572 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5572 _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 . . . . 5572 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 5572 _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 5572 1 temperature 303 0.1 K 5572 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 5572 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 5572 _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 unknown unknown . 0 'spectrometer information not available' . . 5572 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 5572 _Experiment_list.ID 1 _Experiment_list.Details . 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 5572 _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 0.0 . indirect 0.251449530 . . . . . . . . . 5572 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5572 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5572 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 5572 _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 . 5572 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 H H 1 8.47 0.03 . 1 . . . . . . . . 5572 1 2 . 1 1 1 1 ASP HA H 1 5.22 0.03 . 1 . . . . . . . . 5572 1 3 . 1 1 1 1 ASP HB2 H 1 3.26 0.03 . 1 . . . . . . . . 5572 1 4 . 1 1 1 1 ASP HB3 H 1 3.26 0.03 . 1 . . . . . . . . 5572 1 5 . 1 1 1 1 ASP CA C 13 54.66 0.50 . 1 . . . . . . . . 5572 1 6 . 1 1 1 1 ASP CB C 13 41.68 0.50 . 1 . . . . . . . . 5572 1 7 . 1 1 1 1 ASP N N 15 121.11 0.50 . 1 . . . . . . . . 5572 1 8 . 1 1 2 2 GLY H H 1 8.57 0.03 . 1 . . . . . . . . 5572 1 9 . 1 1 2 2 GLY HA2 H 1 4.73 0.03 . 1 . . . . . . . . 5572 1 10 . 1 1 2 2 GLY HA3 H 1 4.12 0.03 . 1 . . . . . . . . 5572 1 11 . 1 1 2 2 GLY CA C 13 45.87 0.50 . 1 . . . . . . . . 5572 1 12 . 1 1 2 2 GLY N N 15 110.31 0.50 . 1 . . . . . . . . 5572 1 13 . 1 1 3 3 SER H H 1 8.64 0.03 . 1 . . . . . . . . 5572 1 14 . 1 1 3 3 SER HA H 1 4.61 0.03 . 1 . . . . . . . . 5572 1 15 . 1 1 3 3 SER HB2 H 1 4.17 0.03 . 1 . . . . . . . . 5572 1 16 . 1 1 3 3 SER HB3 H 1 3.94 0.03 . 1 . . . . . . . . 5572 1 17 . 1 1 3 3 SER CA C 13 58.28 0.50 . 1 . . . . . . . . 5572 1 18 . 1 1 3 3 SER CB C 13 64.03 0.50 . 1 . . . . . . . . 5572 1 19 . 1 1 3 3 SER N N 15 115.38 0.50 . 1 . . . . . . . . 5572 1 20 . 1 1 4 4 CYS H H 1 8.37 0.03 . 1 . . . . . . . . 5572 1 21 . 1 1 4 4 CYS HA H 1 4.42 0.03 . 1 . . . . . . . . 5572 1 22 . 1 1 4 4 CYS HB2 H 1 1.77 0.03 . 1 . . . . . . . . 5572 1 23 . 1 1 4 4 CYS HB3 H 1 1.77 0.03 . 1 . . . . . . . . 5572 1 24 . 1 1 4 4 CYS CA C 13 56.17 0.50 . 1 . . . . . . . . 5572 1 25 . 1 1 4 4 CYS CB C 13 30.70 0.50 . 1 . . . . . . . . 5572 1 26 . 1 1 4 4 CYS N N 15 122.83 0.50 . 1 . . . . . . . . 5572 1 27 . 1 1 5 5 THR H H 1 7.42 0.03 . 1 . . . . . . . . 5572 1 28 . 1 1 5 5 THR HA H 1 5.45 0.03 . 1 . . . . . . . . 5572 1 29 . 1 1 5 5 THR HB H 1 4.00 0.03 . 1 . . . . . . . . 5572 1 30 . 1 1 5 5 THR HG21 H 1 3.65 0.03 . 1 . . . . . . . . 5572 1 31 . 1 1 5 5 THR HG22 H 1 3.65 0.03 . 1 . . . . . . . . 5572 1 32 . 1 1 5 5 THR HG23 H 1 3.65 0.03 . 1 . . . . . . . . 5572 1 33 . 1 1 5 5 THR CA C 13 58.21 0.50 . 1 . . . . . . . . 5572 1 34 . 1 1 5 5 THR CB C 13 68.20 0.50 . 1 . . . . . . . . 5572 1 35 . 1 1 5 5 THR CG2 C 13 20.49 0.50 . 1 . . . . . . . . 5572 1 36 . 1 1 5 5 THR N N 15 110.56 0.50 . 1 . . . . . . . . 5572 1 37 . 1 1 6 6 ASN H H 1 8.94 0.03 . 1 . . . . . . . . 5572 1 38 . 1 1 6 6 ASN HA H 1 5.10 0.03 . 1 . . . . . . . . 5572 1 39 . 1 1 6 6 ASN HB2 H 1 3.02 0.03 . 1 . . . . . . . . 5572 1 40 . 1 1 6 6 ASN HB3 H 1 2.40 0.03 . 1 . . . . . . . . 5572 1 41 . 1 1 6 6 ASN HD21 H 1 7.45 0.03 . 1 . . . . . . . . 5572 1 42 . 1 1 6 6 ASN HD22 H 1 6.12 0.03 . 1 . . . . . . . . 5572 1 43 . 1 1 6 6 ASN CA C 13 52.17 0.50 . 1 . . . . . . . . 5572 1 44 . 1 1 6 6 ASN CB C 13 39.88 0.50 . 1 . . . . . . . . 5572 1 45 . 1 1 6 6 ASN N N 15 127.03 0.50 . 1 . . . . . . . . 5572 1 46 . 1 1 6 6 ASN ND2 N 15 108.76 0.50 . 1 . . . . . . . . 5572 1 47 . 1 1 7 7 THR H H 1 9.01 0.03 . 1 . . . . . . . . 5572 1 48 . 1 1 7 7 THR HA H 1 4.49 0.03 . 1 . . . . . . . . 5572 1 49 . 1 1 7 7 THR HB H 1 4.10 0.03 . 1 . . . . . . . . 5572 1 50 . 1 1 7 7 THR HG21 H 1 1.25 0.03 . 1 . . . . . . . . 5572 1 51 . 1 1 7 7 THR HG22 H 1 1.25 0.03 . 1 . . . . . . . . 5572 1 52 . 1 1 7 7 THR HG23 H 1 1.25 0.03 . 1 . . . . . . . . 5572 1 53 . 1 1 7 7 THR CA C 13 61.89 0.50 . 1 . . . . . . . . 5572 1 54 . 1 1 7 7 THR CB C 13 69.30 0.50 . 1 . . . . . . . . 5572 1 55 . 1 1 7 7 THR CG2 C 13 21.30 0.50 . 1 . . . . . . . . 5572 1 56 . 1 1 7 7 THR N N 15 122.78 0.50 . 1 . . . . . . . . 5572 1 57 . 1 1 8 8 ASN H H 1 8.40 0.03 . 1 . . . . . . . . 5572 1 58 . 1 1 8 8 ASN HA H 1 4.41 0.03 . 1 . . . . . . . . 5572 1 59 . 1 1 8 8 ASN HB2 H 1 3.30 0.03 . 1 . . . . . . . . 5572 1 60 . 1 1 8 8 ASN HB3 H 1 2.64 0.03 . 1 . . . . . . . . 5572 1 61 . 1 1 8 8 ASN HD21 H 1 7.58 0.03 . 1 . . . . . . . . 5572 1 62 . 1 1 8 8 ASN HD22 H 1 6.91 0.03 . 1 . . . . . . . . 5572 1 63 . 1 1 8 8 ASN CA C 13 54.37 0.50 . 1 . . . . . . . . 5572 1 64 . 1 1 8 8 ASN CB C 13 37.91 0.50 . 1 . . . . . . . . 5572 1 65 . 1 1 8 8 ASN N N 15 119.48 0.50 . 1 . . . . . . . . 5572 1 66 . 1 1 8 8 ASN ND2 N 15 112.68 0.50 . 1 . . . . . . . . 5572 1 67 . 1 1 9 9 SER H H 1 8.42 0.03 . 1 . . . . . . . . 5572 1 68 . 1 1 9 9 SER HA H 1 5.27 0.03 . 1 . . . . . . . . 5572 1 69 . 1 1 9 9 SER HB2 H 1 3.40 0.03 . 1 . . . . . . . . 5572 1 70 . 1 1 9 9 SER HB3 H 1 3.40 0.03 . 1 . . . . . . . . 5572 1 71 . 1 1 9 9 SER CA C 13 57.87 0.50 . 1 . . . . . . . . 5572 1 72 . 1 1 9 9 SER CB C 13 65.61 0.50 . 1 . . . . . . . . 5572 1 73 . 1 1 9 9 SER N N 15 110.24 0.50 . 1 . . . . . . . . 5572 1 74 . 1 1 10 10 GLN H H 1 8.21 0.03 . 1 . . . . . . . . 5572 1 75 . 1 1 10 10 GLN HA H 1 4.51 0.03 . 1 . . . . . . . . 5572 1 76 . 1 1 10 10 GLN HB2 H 1 1.88 0.03 . 1 . . . . . . . . 5572 1 77 . 1 1 10 10 GLN HB3 H 1 1.88 0.03 . 1 . . . . . . . . 5572 1 78 . 1 1 10 10 GLN HG2 H 1 2.23 0.03 . 1 . . . . . . . . 5572 1 79 . 1 1 10 10 GLN HG3 H 1 2.23 0.03 . 1 . . . . . . . . 5572 1 80 . 1 1 10 10 GLN HE21 H 1 7.35 0.03 . 1 . . . . . . . . 5572 1 81 . 1 1 10 10 GLN HE22 H 1 6.71 0.03 . 1 . . . . . . . . 5572 1 82 . 1 1 10 10 GLN CA C 13 54.68 0.50 . 1 . . . . . . . . 5572 1 83 . 1 1 10 10 GLN CB C 13 30.47 0.50 . 1 . . . . . . . . 5572 1 84 . 1 1 10 10 GLN CG C 13 33.65 0.50 . 1 . . . . . . . . 5572 1 85 . 1 1 10 10 GLN N N 15 123.05 0.50 . 1 . . . . . . . . 5572 1 86 . 1 1 10 10 GLN NE2 N 15 111.31 0.50 . 1 . . . . . . . . 5572 1 87 . 1 1 11 11 LEU H H 1 8.56 0.03 . 1 . . . . . . . . 5572 1 88 . 1 1 11 11 LEU HA H 1 4.76 0.03 . 1 . . . . . . . . 5572 1 89 . 1 1 11 11 LEU HB2 H 1 1.75 0.03 . 1 . . . . . . . . 5572 1 90 . 1 1 11 11 LEU HB3 H 1 0.99 0.03 . 1 . . . . . . . . 5572 1 91 . 1 1 11 11 LEU HG H 1 1.46 0.03 . 1 . . . . . . . . 5572 1 92 . 1 1 11 11 LEU HD11 H 1 0.70 0.03 . 1 . . . . . . . . 5572 1 93 . 1 1 11 11 LEU HD12 H 1 0.70 0.03 . 1 . . . . . . . . 5572 1 94 . 1 1 11 11 LEU HD13 H 1 0.70 0.03 . 1 . . . . . . . . 5572 1 95 . 1 1 11 11 LEU HD21 H 1 0.81 0.03 . 1 . . . . . . . . 5572 1 96 . 1 1 11 11 LEU HD22 H 1 0.81 0.03 . 1 . . . . . . . . 5572 1 97 . 1 1 11 11 LEU HD23 H 1 0.81 0.03 . 1 . . . . . . . . 5572 1 98 . 1 1 11 11 LEU CA C 13 53.44 0.50 . 1 . . . . . . . . 5572 1 99 . 1 1 11 11 LEU CB C 13 43.63 0.50 . 1 . . . . . . . . 5572 1 100 . 1 1 11 11 LEU CG C 13 27.27 0.50 . 1 . . . . . . . . 5572 1 101 . 1 1 11 11 LEU CD1 C 13 24.98 0.50 . 1 . . . . . . . . 5572 1 102 . 1 1 11 11 LEU CD2 C 13 26.56 0.50 . 1 . . . . . . . . 5572 1 103 . 1 1 11 11 LEU N N 15 127.66 0.50 . 1 . . . . . . . . 5572 1 104 . 1 1 12 12 SER H H 1 8.39 0.03 . 1 . . . . . . . . 5572 1 105 . 1 1 12 12 SER HA H 1 4.41 0.03 . 1 . . . . . . . . 5572 1 106 . 1 1 12 12 SER HB2 H 1 4.36 0.03 . 1 . . . . . . . . 5572 1 107 . 1 1 12 12 SER HB3 H 1 4.22 0.03 . 1 . . . . . . . . 5572 1 108 . 1 1 12 12 SER CA C 13 58.71 0.50 . 1 . . . . . . . . 5572 1 109 . 1 1 12 12 SER CB C 13 64.77 0.50 . 1 . . . . . . . . 5572 1 110 . 1 1 12 12 SER N N 15 122.18 0.50 . 1 . . . . . . . . 5572 1 111 . 1 1 13 13 ALA H H 1 8.85 0.03 . 1 . . . . . . . . 5572 1 112 . 1 1 13 13 ALA HA H 1 4.28 0.03 . 1 . . . . . . . . 5572 1 113 . 1 1 13 13 ALA HB1 H 1 1.51 0.03 . 1 . . . . . . . . 5572 1 114 . 1 1 13 13 ALA HB2 H 1 1.51 0.03 . 1 . . . . . . . . 5572 1 115 . 1 1 13 13 ALA HB3 H 1 1.51 0.03 . 1 . . . . . . . . 5572 1 116 . 1 1 13 13 ALA CA C 13 54.43 0.50 . 1 . . . . . . . . 5572 1 117 . 1 1 13 13 ALA CB C 13 18.27 0.50 . 1 . . . . . . . . 5572 1 118 . 1 1 13 13 ALA N N 15 123.78 0.50 . 1 . . . . . . . . 5572 1 119 . 1 1 14 14 ASN H H 1 7.64 0.03 . 1 . . . . . . . . 5572 1 120 . 1 1 14 14 ASN HA H 1 4.71 0.03 . 1 . . . . . . . . 5572 1 121 . 1 1 14 14 ASN HB2 H 1 3.27 0.03 . 1 . . . . . . . . 5572 1 122 . 1 1 14 14 ASN HB3 H 1 2.81 0.03 . 1 . . . . . . . . 5572 1 123 . 1 1 14 14 ASN HD21 H 1 7.75 0.03 . 1 . . . . . . . . 5572 1 124 . 1 1 14 14 ASN HD22 H 1 7.32 0.03 . 1 . . . . . . . . 5572 1 125 . 1 1 14 14 ASN CA C 13 52.05 0.50 . 1 . . . . . . . . 5572 1 126 . 1 1 14 14 ASN CB C 13 37.60 0.50 . 1 . . . . . . . . 5572 1 127 . 1 1 14 14 ASN N N 15 111.32 0.50 . 1 . . . . . . . . 5572 1 128 . 1 1 14 14 ASN ND2 N 15 113.83 0.50 . 1 . . . . . . . . 5572 1 129 . 1 1 15 15 SER H H 1 7.58 0.03 . 1 . . . . . . . . 5572 1 130 . 1 1 15 15 SER HA H 1 5.21 0.03 . 1 . . . . . . . . 5572 1 131 . 1 1 15 15 SER HB2 H 1 3.92 0.03 . 1 . . . . . . . . 5572 1 132 . 1 1 15 15 SER HB3 H 1 3.60 0.03 . 1 . . . . . . . . 5572 1 133 . 1 1 15 15 SER CA C 13 59.51 0.50 . 1 . . . . . . . . 5572 1 134 . 1 1 15 15 SER CB C 13 66.20 0.50 . 1 . . . . . . . . 5572 1 135 . 1 1 15 15 SER N N 15 116.51 0.50 . 1 . . . . . . . . 5572 1 136 . 1 1 16 16 LYS H H 1 8.56 0.03 . 1 . . . . . . . . 5572 1 137 . 1 1 16 16 LYS HA H 1 4.71 0.03 . 1 . . . . . . . . 5572 1 138 . 1 1 16 16 LYS HB2 H 1 1.56 0.03 . 1 . . . . . . . . 5572 1 139 . 1 1 16 16 LYS HB3 H 1 1.56 0.03 . 1 . . . . . . . . 5572 1 140 . 1 1 16 16 LYS HG2 H 1 1.36 0.03 . 1 . . . . . . . . 5572 1 141 . 1 1 16 16 LYS HG3 H 1 1.36 0.03 . 1 . . . . . . . . 5572 1 142 . 1 1 16 16 LYS HD2 H 1 1.80 0.03 . 1 . . . . . . . . 5572 1 143 . 1 1 16 16 LYS HD3 H 1 1.80 0.03 . 1 . . . . . . . . 5572 1 144 . 1 1 16 16 LYS HE2 H 1 2.99 0.03 . 1 . . . . . . . . 5572 1 145 . 1 1 16 16 LYS HE3 H 1 2.99 0.03 . 1 . . . . . . . . 5572 1 146 . 1 1 16 16 LYS CA C 13 54.78 0.50 . 1 . . . . . . . . 5572 1 147 . 1 1 16 16 LYS CB C 13 36.35 0.50 . 1 . . . . . . . . 5572 1 148 . 1 1 16 16 LYS CG C 13 25.03 0.50 . 1 . . . . . . . . 5572 1 149 . 1 1 16 16 LYS CD C 13 36.33 0.50 . 1 . . . . . . . . 5572 1 150 . 1 1 16 16 LYS CE C 13 42.26 0.50 . 1 . . . . . . . . 5572 1 151 . 1 1 16 16 LYS N N 15 121.18 0.50 . 1 . . . . . . . . 5572 1 152 . 1 1 17 17 CYS H H 1 8.87 0.03 . 1 . . . . . . . . 5572 1 153 . 1 1 17 17 CYS HA H 1 5.27 0.03 . 1 . . . . . . . . 5572 1 154 . 1 1 17 17 CYS HB2 H 1 3.11 0.03 . 1 . . . . . . . . 5572 1 155 . 1 1 17 17 CYS HB3 H 1 3.11 0.03 . 1 . . . . . . . . 5572 1 156 . 1 1 17 17 CYS CA C 13 55.76 0.50 . 1 . . . . . . . . 5572 1 157 . 1 1 17 17 CYS CB C 13 44.58 0.50 . 1 . . . . . . . . 5572 1 158 . 1 1 17 17 CYS N N 15 123.02 0.50 . 1 . . . . . . . . 5572 1 159 . 1 1 18 18 GLU H H 1 8.94 0.03 . 1 . . . . . . . . 5572 1 160 . 1 1 18 18 GLU HA H 1 4.72 0.03 . 1 . . . . . . . . 5572 1 161 . 1 1 18 18 GLU HB2 H 1 2.11 0.03 . 1 . . . . . . . . 5572 1 162 . 1 1 18 18 GLU HB3 H 1 2.11 0.03 . 1 . . . . . . . . 5572 1 163 . 1 1 18 18 GLU HG2 H 1 2.33 0.03 . 1 . . . . . . . . 5572 1 164 . 1 1 18 18 GLU HG3 H 1 2.33 0.03 . 1 . . . . . . . . 5572 1 165 . 1 1 18 18 GLU CA C 13 55.92 0.50 . 1 . . . . . . . . 5572 1 166 . 1 1 18 18 GLU CB C 13 34.28 0.50 . 1 . . . . . . . . 5572 1 167 . 1 1 18 18 GLU CG C 13 36.37 0.50 . 1 . . . . . . . . 5572 1 168 . 1 1 18 18 GLU N N 15 126.69 0.50 . 1 . . . . . . . . 5572 1 169 . 1 1 19 19 LYS H H 1 8.29 0.03 . 1 . . . . . . . . 5572 1 170 . 1 1 19 19 LYS HA H 1 4.29 0.03 . 1 . . . . . . . . 5572 1 171 . 1 1 19 19 LYS HB2 H 1 1.41 0.03 . 1 . . . . . . . . 5572 1 172 . 1 1 19 19 LYS HB3 H 1 1.41 0.03 . 1 . . . . . . . . 5572 1 173 . 1 1 19 19 LYS CA C 13 60.99 0.50 . 1 . . . . . . . . 5572 1 174 . 1 1 19 19 LYS CB C 13 38.79 0.50 . 1 . . . . . . . . 5572 1 175 . 1 1 19 19 LYS N N 15 125.39 0.50 . 1 . . . . . . . . 5572 1 176 . 1 1 20 20 SER H H 1 8.30 0.03 . 1 . . . . . . . . 5572 1 177 . 1 1 20 20 SER HA H 1 4.55 0.03 . 1 . . . . . . . . 5572 1 178 . 1 1 20 20 SER HB2 H 1 3.86 0.03 . 1 . . . . . . . . 5572 1 179 . 1 1 20 20 SER HB3 H 1 3.86 0.03 . 1 . . . . . . . . 5572 1 180 . 1 1 20 20 SER CA C 13 58.19 0.50 . 1 . . . . . . . . 5572 1 181 . 1 1 20 20 SER CB C 13 64.10 0.50 . 1 . . . . . . . . 5572 1 182 . 1 1 20 20 SER N N 15 119.45 0.50 . 1 . . . . . . . . 5572 1 183 . 1 1 21 21 THR H H 1 8.18 0.03 . 1 . . . . . . . . 5572 1 184 . 1 1 21 21 THR HA H 1 4.45 0.03 . 1 . . . . . . . . 5572 1 185 . 1 1 21 21 THR HB H 1 3.83 0.03 . 1 . . . . . . . . 5572 1 186 . 1 1 21 21 THR HG21 H 1 1.17 0.03 . 1 . . . . . . . . 5572 1 187 . 1 1 21 21 THR HG22 H 1 1.17 0.03 . 1 . . . . . . . . 5572 1 188 . 1 1 21 21 THR HG23 H 1 1.17 0.03 . 1 . . . . . . . . 5572 1 189 . 1 1 21 21 THR CA C 13 61.87 0.50 . 1 . . . . . . . . 5572 1 190 . 1 1 21 21 THR CB C 13 69.84 0.50 . 1 . . . . . . . . 5572 1 191 . 1 1 21 21 THR N N 15 115.61 0.50 . 1 . . . . . . . . 5572 1 192 . 1 1 22 22 LEU H H 1 8.39 0.03 . 1 . . . . . . . . 5572 1 193 . 1 1 22 22 LEU HA H 1 4.01 0.03 . 1 . . . . . . . . 5572 1 194 . 1 1 22 22 LEU HB2 H 1 0.84 0.03 . 1 . . . . . . . . 5572 1 195 . 1 1 22 22 LEU HB3 H 1 0.84 0.03 . 1 . . . . . . . . 5572 1 196 . 1 1 22 22 LEU CA C 13 55.69 0.50 . 1 . . . . . . . . 5572 1 197 . 1 1 22 22 LEU CB C 13 41.63 0.50 . 1 . . . . . . . . 5572 1 198 . 1 1 22 22 LEU N N 15 111.22 0.50 . 1 . . . . . . . . 5572 1 199 . 1 1 23 23 THR H H 1 8.22 0.03 . 1 . . . . . . . . 5572 1 200 . 1 1 23 23 THR HA H 1 4.68 0.03 . 1 . . . . . . . . 5572 1 201 . 1 1 23 23 THR HB H 1 4.39 0.03 . 1 . . . . . . . . 5572 1 202 . 1 1 23 23 THR CA C 13 61.09 0.50 . 1 . . . . . . . . 5572 1 203 . 1 1 23 23 THR CB C 13 69.72 0.50 . 1 . . . . . . . . 5572 1 204 . 1 1 23 23 THR N N 15 118.62 0.50 . 1 . . . . . . . . 5572 1 205 . 1 1 24 24 ASN H H 1 8.58 0.03 . 1 . . . . . . . . 5572 1 206 . 1 1 24 24 ASN HA H 1 4.56 0.03 . 1 . . . . . . . . 5572 1 207 . 1 1 24 24 ASN HB2 H 1 3.09 0.03 . 1 . . . . . . . . 5572 1 208 . 1 1 24 24 ASN HB3 H 1 2.90 0.03 . 1 . . . . . . . . 5572 1 209 . 1 1 24 24 ASN HD21 H 1 7.69 0.03 . 1 . . . . . . . . 5572 1 210 . 1 1 24 24 ASN HD22 H 1 6.83 0.03 . 1 . . . . . . . . 5572 1 211 . 1 1 24 24 ASN CA C 13 54.45 0.50 . 1 . . . . . . . . 5572 1 212 . 1 1 24 24 ASN CB C 13 36.76 0.50 . 1 . . . . . . . . 5572 1 213 . 1 1 24 24 ASN N N 15 123.09 0.50 . 1 . . . . . . . . 5572 1 214 . 1 1 24 24 ASN ND2 N 15 112.69 0.50 . 1 . . . . . . . . 5572 1 215 . 1 1 25 25 CYS H H 1 8.46 0.03 . 1 . . . . . . . . 5572 1 216 . 1 1 25 25 CYS HA H 1 5.73 0.03 . 1 . . . . . . . . 5572 1 217 . 1 1 25 25 CYS HB2 H 1 3.15 0.03 . 1 . . . . . . . . 5572 1 218 . 1 1 25 25 CYS HB3 H 1 2.19 0.03 . 1 . . . . . . . . 5572 1 219 . 1 1 25 25 CYS CA C 13 55.52 0.50 . 1 . . . . . . . . 5572 1 220 . 1 1 25 25 CYS CB C 13 49.41 0.50 . 1 . . . . . . . . 5572 1 221 . 1 1 25 25 CYS N N 15 112.20 0.50 . 1 . . . . . . . . 5572 1 222 . 1 1 26 26 TYR H H 1 8.14 0.03 . 1 . . . . . . . . 5572 1 223 . 1 1 26 26 TYR HA H 1 4.83 0.03 . 1 . . . . . . . . 5572 1 224 . 1 1 26 26 TYR HB2 H 1 2.87 0.03 . 1 . . . . . . . . 5572 1 225 . 1 1 26 26 TYR HB3 H 1 2.87 0.03 . 1 . . . . . . . . 5572 1 226 . 1 1 26 26 TYR HD1 H 1 7.01 0.03 . 3 . . . . . . . . 5572 1 227 . 1 1 26 26 TYR HE1 H 1 6.72 0.03 . 3 . . . . . . . . 5572 1 228 . 1 1 26 26 TYR CA C 13 57.69 0.50 . 1 . . . . . . . . 5572 1 229 . 1 1 26 26 TYR CB C 13 40.80 0.50 . 1 . . . . . . . . 5572 1 230 . 1 1 26 26 TYR N N 15 122.94 0.50 . 1 . . . . . . . . 5572 1 231 . 1 1 27 27 VAL H H 1 8.62 0.03 . 1 . . . . . . . . 5572 1 232 . 1 1 27 27 VAL HA H 1 4.72 0.03 . 1 . . . . . . . . 5572 1 233 . 1 1 27 27 VAL HB H 1 2.13 0.03 . 1 . . . . . . . . 5572 1 234 . 1 1 27 27 VAL HG11 H 1 0.63 0.03 . 1 . . . . . . . . 5572 1 235 . 1 1 27 27 VAL HG12 H 1 0.63 0.03 . 1 . . . . . . . . 5572 1 236 . 1 1 27 27 VAL HG13 H 1 0.63 0.03 . 1 . . . . . . . . 5572 1 237 . 1 1 27 27 VAL HG21 H 1 1.00 0.03 . 1 . . . . . . . . 5572 1 238 . 1 1 27 27 VAL HG22 H 1 1.00 0.03 . 1 . . . . . . . . 5572 1 239 . 1 1 27 27 VAL HG23 H 1 1.00 0.03 . 1 . . . . . . . . 5572 1 240 . 1 1 27 27 VAL CA C 13 61.95 0.50 . 1 . . . . . . . . 5572 1 241 . 1 1 27 27 VAL CB C 13 34.79 0.50 . 1 . . . . . . . . 5572 1 242 . 1 1 27 27 VAL CG1 C 13 20.87 0.50 . 1 . . . . . . . . 5572 1 243 . 1 1 27 27 VAL CG2 C 13 23.01 0.50 . 1 . . . . . . . . 5572 1 244 . 1 1 27 27 VAL N N 15 126.67 0.50 . 1 . . . . . . . . 5572 1 245 . 1 1 28 28 ASP H H 1 8.90 0.03 . 1 . . . . . . . . 5572 1 246 . 1 1 28 28 ASP HA H 1 5.21 0.03 . 1 . . . . . . . . 5572 1 247 . 1 1 28 28 ASP HB2 H 1 2.75 0.03 . 1 . . . . . . . . 5572 1 248 . 1 1 28 28 ASP HB3 H 1 2.50 0.03 . 1 . . . . . . . . 5572 1 249 . 1 1 28 28 ASP CA C 13 53.10 0.50 . 1 . . . . . . . . 5572 1 250 . 1 1 28 28 ASP CB C 13 45.28 0.50 . 1 . . . . . . . . 5572 1 251 . 1 1 28 28 ASP N N 15 127.01 0.50 . 1 . . . . . . . . 5572 1 252 . 1 1 29 29 LYS H H 1 8.46 0.03 . 1 . . . . . . . . 5572 1 253 . 1 1 29 29 LYS HA H 1 3.68 0.03 . 1 . . . . . . . . 5572 1 254 . 1 1 29 29 LYS HB2 H 1 2.01 0.03 . 1 . . . . . . . . 5572 1 255 . 1 1 29 29 LYS HB3 H 1 1.70 0.03 . 1 . . . . . . . . 5572 1 256 . 1 1 29 29 LYS HG2 H 1 1.44 0.03 . 1 . . . . . . . . 5572 1 257 . 1 1 29 29 LYS HG3 H 1 1.36 0.03 . 1 . . . . . . . . 5572 1 258 . 1 1 29 29 LYS HD2 H 1 1.66 0.03 . 1 . . . . . . . . 5572 1 259 . 1 1 29 29 LYS HD3 H 1 1.66 0.03 . 1 . . . . . . . . 5572 1 260 . 1 1 29 29 LYS HE2 H 1 2.99 0.03 . 1 . . . . . . . . 5572 1 261 . 1 1 29 29 LYS HE3 H 1 2.99 0.03 . 1 . . . . . . . . 5572 1 262 . 1 1 29 29 LYS CA C 13 57.05 0.50 . 1 . . . . . . . . 5572 1 263 . 1 1 29 29 LYS CB C 13 31.18 0.50 . 1 . . . . . . . . 5572 1 264 . 1 1 29 29 LYS CG C 13 25.33 0.50 . 1 . . . . . . . . 5572 1 265 . 1 1 29 29 LYS CD C 13 29.59 0.50 . 1 . . . . . . . . 5572 1 266 . 1 1 29 29 LYS CE C 13 42.11 0.50 . 1 . . . . . . . . 5572 1 267 . 1 1 29 29 LYS N N 15 128.53 0.50 . 1 . . . . . . . . 5572 1 268 . 1 1 30 30 SER H H 1 8.04 0.03 . 1 . . . . . . . . 5572 1 269 . 1 1 30 30 SER HA H 1 5.56 0.03 . 1 . . . . . . . . 5572 1 270 . 1 1 30 30 SER HB2 H 1 3.91 0.03 . 1 . . . . . . . . 5572 1 271 . 1 1 30 30 SER HB3 H 1 3.32 0.03 . 1 . . . . . . . . 5572 1 272 . 1 1 30 30 SER CA C 13 58.50 0.50 . 1 . . . . . . . . 5572 1 273 . 1 1 30 30 SER CB C 13 69.03 0.50 . 1 . . . . . . . . 5572 1 274 . 1 1 30 30 SER N N 15 112.21 0.50 . 1 . . . . . . . . 5572 1 275 . 1 1 31 31 GLU H H 1 9.18 0.03 . 1 . . . . . . . . 5572 1 276 . 1 1 31 31 GLU HA H 1 4.79 0.03 . 1 . . . . . . . . 5572 1 277 . 1 1 31 31 GLU HB2 H 1 2.07 0.03 . 1 . . . . . . . . 5572 1 278 . 1 1 31 31 GLU HB3 H 1 1.93 0.03 . 1 . . . . . . . . 5572 1 279 . 1 1 31 31 GLU HG2 H 1 2.25 0.03 . 1 . . . . . . . . 5572 1 280 . 1 1 31 31 GLU HG3 H 1 2.08 0.03 . 1 . . . . . . . . 5572 1 281 . 1 1 31 31 GLU CA C 13 55.39 0.50 . 1 . . . . . . . . 5572 1 282 . 1 1 31 31 GLU CB C 13 32.52 0.50 . 1 . . . . . . . . 5572 1 283 . 1 1 31 31 GLU CG C 13 36.15 0.50 . 1 . . . . . . . . 5572 1 284 . 1 1 31 31 GLU N N 15 121.77 0.50 . 1 . . . . . . . . 5572 1 285 . 1 1 32 32 VAL H H 1 8.16 0.03 . 1 . . . . . . . . 5572 1 286 . 1 1 32 32 VAL HA H 1 4.44 0.03 . 1 . . . . . . . . 5572 1 287 . 1 1 32 32 VAL HB H 1 2.09 0.03 . 1 . . . . . . . . 5572 1 288 . 1 1 32 32 VAL HG11 H 1 0.88 0.03 . 1 . . . . . . . . 5572 1 289 . 1 1 32 32 VAL HG12 H 1 0.88 0.03 . 1 . . . . . . . . 5572 1 290 . 1 1 32 32 VAL HG13 H 1 0.88 0.03 . 1 . . . . . . . . 5572 1 291 . 1 1 32 32 VAL HG21 H 1 1.02 0.03 . 1 . . . . . . . . 5572 1 292 . 1 1 32 32 VAL HG22 H 1 1.02 0.03 . 1 . . . . . . . . 5572 1 293 . 1 1 32 32 VAL HG23 H 1 1.02 0.03 . 1 . . . . . . . . 5572 1 294 . 1 1 32 32 VAL CA C 13 61.06 0.50 . 1 . . . . . . . . 5572 1 295 . 1 1 32 32 VAL CB C 13 34.13 0.50 . 1 . . . . . . . . 5572 1 296 . 1 1 32 32 VAL CG1 C 13 21.42 0.50 . 1 . . . . . . . . 5572 1 297 . 1 1 32 32 VAL CG2 C 13 20.92 0.50 . 1 . . . . . . . . 5572 1 298 . 1 1 32 32 VAL N N 15 124.00 0.50 . 1 . . . . . . . . 5572 1 299 . 1 1 33 33 TYR H H 1 8.83 0.03 . 1 . . . . . . . . 5572 1 300 . 1 1 33 33 TYR HA H 1 5.67 0.03 . 1 . . . . . . . . 5572 1 301 . 1 1 33 33 TYR HB2 H 1 3.12 0.03 . 1 . . . . . . . . 5572 1 302 . 1 1 33 33 TYR HB3 H 1 2.98 0.03 . 1 . . . . . . . . 5572 1 303 . 1 1 33 33 TYR HD1 H 1 7.04 0.03 . 3 . . . . . . . . 5572 1 304 . 1 1 33 33 TYR HE1 H 1 6.69 0.03 . 3 . . . . . . . . 5572 1 305 . 1 1 33 33 TYR CA C 13 55.87 0.50 . 1 . . . . . . . . 5572 1 306 . 1 1 33 33 TYR CB C 13 41.41 0.50 . 1 . . . . . . . . 5572 1 307 . 1 1 33 33 TYR N N 15 124.95 0.50 . 1 . . . . . . . . 5572 1 308 . 1 1 34 34 GLY H H 1 8.17 0.03 . 1 . . . . . . . . 5572 1 309 . 1 1 34 34 GLY HA2 H 1 4.48 0.03 . 1 . . . . . . . . 5572 1 310 . 1 1 34 34 GLY HA3 H 1 3.81 0.03 . 1 . . . . . . . . 5572 1 311 . 1 1 34 34 GLY CA C 13 48.80 0.50 . 1 . . . . . . . . 5572 1 312 . 1 1 34 34 GLY N N 15 118.93 0.50 . 1 . . . . . . . . 5572 1 313 . 1 1 35 35 THR H H 1 8.60 0.03 . 1 . . . . . . . . 5572 1 314 . 1 1 35 35 THR HA H 1 5.49 0.03 . 1 . . . . . . . . 5572 1 315 . 1 1 35 35 THR HB H 1 3.65 0.03 . 1 . . . . . . . . 5572 1 316 . 1 1 35 35 THR HG21 H 1 0.92 0.03 . 1 . . . . . . . . 5572 1 317 . 1 1 35 35 THR HG22 H 1 0.92 0.03 . 1 . . . . . . . . 5572 1 318 . 1 1 35 35 THR HG23 H 1 0.92 0.03 . 1 . . . . . . . . 5572 1 319 . 1 1 35 35 THR CA C 13 62.69 0.50 . 1 . . . . . . . . 5572 1 320 . 1 1 35 35 THR CB C 13 12.65 0.50 . 1 . . . . . . . . 5572 1 321 . 1 1 35 35 THR CG2 C 13 20.05 0.50 . 1 . . . . . . . . 5572 1 322 . 1 1 35 35 THR N N 15 117.99 0.50 . 1 . . . . . . . . 5572 1 323 . 1 1 36 36 THR H H 1 8.38 0.03 . 1 . . . . . . . . 5572 1 324 . 1 1 36 36 THR HA H 1 4.76 0.03 . 1 . . . . . . . . 5572 1 325 . 1 1 36 36 THR HB H 1 4.18 0.03 . 1 . . . . . . . . 5572 1 326 . 1 1 36 36 THR HG21 H 1 1.15 0.03 . 1 . . . . . . . . 5572 1 327 . 1 1 36 36 THR HG22 H 1 1.15 0.03 . 1 . . . . . . . . 5572 1 328 . 1 1 36 36 THR HG23 H 1 1.15 0.03 . 1 . . . . . . . . 5572 1 329 . 1 1 36 36 THR CA C 13 62.16 0.50 . 1 . . . . . . . . 5572 1 330 . 1 1 36 36 THR CB C 13 60.19 0.50 . 1 . . . . . . . . 5572 1 331 . 1 1 36 36 THR CG2 C 13 21.70 0.50 . 1 . . . . . . . . 5572 1 332 . 1 1 36 36 THR N N 15 119.15 0.50 . 1 . . . . . . . . 5572 1 333 . 1 1 37 37 CYS H H 1 8.28 0.03 . 1 . . . . . . . . 5572 1 334 . 1 1 37 37 CYS HA H 1 4.29 0.03 . 1 . . . . . . . . 5572 1 335 . 1 1 37 37 CYS HB2 H 1 1.88 0.03 . 1 . . . . . . . . 5572 1 336 . 1 1 37 37 CYS HB3 H 1 0.89 0.03 . 1 . . . . . . . . 5572 1 337 . 1 1 37 37 CYS CA C 13 60.95 0.50 . 1 . . . . . . . . 5572 1 338 . 1 1 37 37 CYS CB C 13 38.91 0.50 . 1 . . . . . . . . 5572 1 339 . 1 1 37 37 CYS N N 15 124.17 0.50 . 1 . . . . . . . . 5572 1 340 . 1 1 38 38 THR H H 1 8.30 0.03 . 1 . . . . . . . . 5572 1 341 . 1 1 38 38 THR HA H 1 4.50 0.03 . 1 . . . . . . . . 5572 1 342 . 1 1 38 38 THR HB H 1 4.24 0.03 . 1 . . . . . . . . 5572 1 343 . 1 1 38 38 THR CA C 13 61.35 0.50 . 1 . . . . . . . . 5572 1 344 . 1 1 38 38 THR CB C 13 70.81 0.50 . 1 . . . . . . . . 5572 1 345 . 1 1 38 38 THR N N 15 118.49 0.50 . 1 . . . . . . . . 5572 1 346 . 1 1 39 39 GLY H H 1 9.34 0.03 . 1 . . . . . . . . 5572 1 347 . 1 1 39 39 GLY HA2 H 1 4.37 0.03 . 1 . . . . . . . . 5572 1 348 . 1 1 39 39 GLY HA3 H 1 4.07 0.03 . 1 . . . . . . . . 5572 1 349 . 1 1 39 39 GLY CA C 13 48.66 0.50 . 1 . . . . . . . . 5572 1 350 . 1 1 39 39 GLY N N 15 120.24 0.50 . 1 . . . . . . . . 5572 1 351 . 1 1 40 40 SER H H 1 7.31 0.03 . 1 . . . . . . . . 5572 1 352 . 1 1 40 40 SER HA H 1 5.58 0.03 . 1 . . . . . . . . 5572 1 353 . 1 1 40 40 SER HB2 H 1 4.01 0.03 . 1 . . . . . . . . 5572 1 354 . 1 1 40 40 SER HB3 H 1 3.85 0.03 . 1 . . . . . . . . 5572 1 355 . 1 1 40 40 SER CA C 13 57.24 0.50 . 1 . . . . . . . . 5572 1 356 . 1 1 40 40 SER CB C 13 68.64 0.50 . 1 . . . . . . . . 5572 1 357 . 1 1 40 40 SER N N 15 111.27 0.50 . 1 . . . . . . . . 5572 1 358 . 1 1 41 41 ARG H H 1 8.68 0.03 . 1 . . . . . . . . 5572 1 359 . 1 1 41 41 ARG HA H 1 5.48 0.03 . 1 . . . . . . . . 5572 1 360 . 1 1 41 41 ARG HB2 H 1 1.78 0.03 . 1 . . . . . . . . 5572 1 361 . 1 1 41 41 ARG HB3 H 1 1.64 0.03 . 1 . . . . . . . . 5572 1 362 . 1 1 41 41 ARG HG2 H 1 1.61 0.03 . 1 . . . . . . . . 5572 1 363 . 1 1 41 41 ARG HG3 H 1 1.51 0.03 . 1 . . . . . . . . 5572 1 364 . 1 1 41 41 ARG HD2 H 1 3.03 0.03 . 1 . . . . . . . . 5572 1 365 . 1 1 41 41 ARG HD3 H 1 2.87 0.03 . 1 . . . . . . . . 5572 1 366 . 1 1 41 41 ARG CA C 13 54.24 0.50 . 1 . . . . . . . . 5572 1 367 . 1 1 41 41 ARG CB C 13 33.63 0.50 . 1 . . . . . . . . 5572 1 368 . 1 1 41 41 ARG CG C 13 28.23 0.50 . 1 . . . . . . . . 5572 1 369 . 1 1 41 41 ARG CD C 13 43.32 0.50 . 1 . . . . . . . . 5572 1 370 . 1 1 41 41 ARG N N 15 121.81 0.50 . 1 . . . . . . . . 5572 1 371 . 1 1 42 42 PHE H H 1 9.25 0.03 . 1 . . . . . . . . 5572 1 372 . 1 1 42 42 PHE HA H 1 5.74 0.03 . 1 . . . . . . . . 5572 1 373 . 1 1 42 42 PHE HB2 H 1 3.24 0.03 . 1 . . . . . . . . 5572 1 374 . 1 1 42 42 PHE HB3 H 1 3.24 0.03 . 1 . . . . . . . . 5572 1 375 . 1 1 42 42 PHE HD1 H 1 7.07 0.03 . 3 . . . . . . . . 5572 1 376 . 1 1 42 42 PHE HE1 H 1 7.17 0.03 . 3 . . . . . . . . 5572 1 377 . 1 1 42 42 PHE HZ H 1 6.79 0.03 . 1 . . . . . . . . 5572 1 378 . 1 1 42 42 PHE CA C 13 52.20 0.50 . 1 . . . . . . . . 5572 1 379 . 1 1 42 42 PHE CB C 13 41.52 0.50 . 1 . . . . . . . . 5572 1 380 . 1 1 42 42 PHE N N 15 124.60 0.50 . 1 . . . . . . . . 5572 1 381 . 1 1 43 43 ASP H H 1 8.16 0.03 . 1 . . . . . . . . 5572 1 382 . 1 1 43 43 ASP HA H 1 5.60 0.03 . 1 . . . . . . . . 5572 1 383 . 1 1 43 43 ASP HB2 H 1 2.75 0.03 . 1 . . . . . . . . 5572 1 384 . 1 1 43 43 ASP HB3 H 1 2.51 0.03 . 1 . . . . . . . . 5572 1 385 . 1 1 43 43 ASP CA C 13 52.73 0.50 . 1 . . . . . . . . 5572 1 386 . 1 1 43 43 ASP CB C 13 43.33 0.50 . 1 . . . . . . . . 5572 1 387 . 1 1 43 43 ASP N N 15 122.93 0.50 . 1 . . . . . . . . 5572 1 388 . 1 1 44 44 GLY H H 1 7.82 0.03 . 1 . . . . . . . . 5572 1 389 . 1 1 44 44 GLY HA2 H 1 4.41 0.03 . 1 . . . . . . . . 5572 1 390 . 1 1 44 44 GLY HA3 H 1 3.87 0.03 . 1 . . . . . . . . 5572 1 391 . 1 1 44 44 GLY CA C 13 48.58 0.50 . 1 . . . . . . . . 5572 1 392 . 1 1 44 44 GLY N N 15 114.88 0.50 . 1 . . . . . . . . 5572 1 393 . 1 1 45 45 VAL H H 1 7.74 0.03 . 1 . . . . . . . . 5572 1 394 . 1 1 45 45 VAL HA H 1 4.36 0.03 . 1 . . . . . . . . 5572 1 395 . 1 1 45 45 VAL HB H 1 1.57 0.03 . 1 . . . . . . . . 5572 1 396 . 1 1 45 45 VAL HG11 H 1 0.34 0.03 . 1 . . . . . . . . 5572 1 397 . 1 1 45 45 VAL HG12 H 1 0.34 0.03 . 1 . . . . . . . . 5572 1 398 . 1 1 45 45 VAL HG13 H 1 0.34 0.03 . 1 . . . . . . . . 5572 1 399 . 1 1 45 45 VAL HG21 H 1 0.50 0.03 . 1 . . . . . . . . 5572 1 400 . 1 1 45 45 VAL HG22 H 1 0.50 0.03 . 1 . . . . . . . . 5572 1 401 . 1 1 45 45 VAL HG23 H 1 0.50 0.03 . 1 . . . . . . . . 5572 1 402 . 1 1 45 45 VAL CA C 13 60.39 0.50 . 1 . . . . . . . . 5572 1 403 . 1 1 45 45 VAL CB C 13 36.06 0.50 . 1 . . . . . . . . 5572 1 404 . 1 1 45 45 VAL CG1 C 13 21.64 0.50 . 1 . . . . . . . . 5572 1 405 . 1 1 45 45 VAL CG2 C 13 21.84 0.50 . 1 . . . . . . . . 5572 1 406 . 1 1 45 45 VAL N N 15 118.24 0.50 . 1 . . . . . . . . 5572 1 407 . 1 1 46 46 THR H H 1 8.80 0.03 . 1 . . . . . . . . 5572 1 408 . 1 1 46 46 THR HA H 1 5.17 0.03 . 1 . . . . . . . . 5572 1 409 . 1 1 46 46 THR HB H 1 4.09 0.03 . 1 . . . . . . . . 5572 1 410 . 1 1 46 46 THR HG21 H 1 1.29 0.03 . 1 . . . . . . . . 5572 1 411 . 1 1 46 46 THR HG22 H 1 1.29 0.03 . 1 . . . . . . . . 5572 1 412 . 1 1 46 46 THR HG23 H 1 1.29 0.03 . 1 . . . . . . . . 5572 1 413 . 1 1 46 46 THR CA C 13 62.28 0.50 . 1 . . . . . . . . 5572 1 414 . 1 1 46 46 THR CB C 13 69.79 0.50 . 1 . . . . . . . . 5572 1 415 . 1 1 46 46 THR CG2 C 13 20.76 0.50 . 1 . . . . . . . . 5572 1 416 . 1 1 46 46 THR N N 15 124.32 0.50 . 1 . . . . . . . . 5572 1 417 . 1 1 47 47 ILE H H 1 9.12 0.03 . 1 . . . . . . . . 5572 1 418 . 1 1 47 47 ILE HA H 1 5.51 0.03 . 1 . . . . . . . . 5572 1 419 . 1 1 47 47 ILE HB H 1 1.08 0.03 . 1 . . . . . . . . 5572 1 420 . 1 1 47 47 ILE HG12 H 1 0.72 0.03 . 1 . . . . . . . . 5572 1 421 . 1 1 47 47 ILE HG13 H 1 0.72 0.03 . 1 . . . . . . . . 5572 1 422 . 1 1 47 47 ILE HG21 H 1 0.88 0.03 . 1 . . . . . . . . 5572 1 423 . 1 1 47 47 ILE HG22 H 1 0.88 0.03 . 1 . . . . . . . . 5572 1 424 . 1 1 47 47 ILE HG23 H 1 0.88 0.03 . 1 . . . . . . . . 5572 1 425 . 1 1 47 47 ILE HD11 H 1 0.40 0.03 . 1 . . . . . . . . 5572 1 426 . 1 1 47 47 ILE HD12 H 1 0.40 0.03 . 1 . . . . . . . . 5572 1 427 . 1 1 47 47 ILE HD13 H 1 0.40 0.03 . 1 . . . . . . . . 5572 1 428 . 1 1 47 47 ILE CA C 13 57.72 0.50 . 1 . . . . . . . . 5572 1 429 . 1 1 47 47 ILE CB C 13 41.26 0.50 . 1 . . . . . . . . 5572 1 430 . 1 1 47 47 ILE CG1 C 13 15.54 0.50 . 1 . . . . . . . . 5572 1 431 . 1 1 47 47 ILE CD1 C 13 13.31 0.50 . 1 . . . . . . . . 5572 1 432 . 1 1 47 47 ILE N N 15 126.21 0.50 . 1 . . . . . . . . 5572 1 433 . 1 1 48 48 THR H H 1 8.40 0.03 . 1 . . . . . . . . 5572 1 434 . 1 1 48 48 THR HA H 1 5.92 0.03 . 1 . . . . . . . . 5572 1 435 . 1 1 48 48 THR HB H 1 4.07 0.03 . 1 . . . . . . . . 5572 1 436 . 1 1 48 48 THR HG21 H 1 1.34 0.03 . 1 . . . . . . . . 5572 1 437 . 1 1 48 48 THR HG22 H 1 1.34 0.03 . 1 . . . . . . . . 5572 1 438 . 1 1 48 48 THR HG23 H 1 1.34 0.03 . 1 . . . . . . . . 5572 1 439 . 1 1 48 48 THR CA C 13 59.28 0.50 . 1 . . . . . . . . 5572 1 440 . 1 1 48 48 THR CB C 13 71.05 0.50 . 1 . . . . . . . . 5572 1 441 . 1 1 48 48 THR CG2 C 13 21.62 0.50 . 1 . . . . . . . . 5572 1 442 . 1 1 48 48 THR N N 15 119.87 0.50 . 1 . . . . . . . . 5572 1 443 . 1 1 49 49 THR H H 1 8.69 0.03 . 1 . . . . . . . . 5572 1 444 . 1 1 49 49 THR HA H 1 4.38 0.03 . 1 . . . . . . . . 5572 1 445 . 1 1 49 49 THR HB H 1 4.46 0.03 . 1 . . . . . . . . 5572 1 446 . 1 1 49 49 THR HG21 H 1 1.44 0.03 . 1 . . . . . . . . 5572 1 447 . 1 1 49 49 THR HG22 H 1 1.44 0.03 . 1 . . . . . . . . 5572 1 448 . 1 1 49 49 THR HG23 H 1 1.44 0.03 . 1 . . . . . . . . 5572 1 449 . 1 1 49 49 THR CA C 13 61.94 0.50 . 1 . . . . . . . . 5572 1 450 . 1 1 49 49 THR CB C 13 67.49 0.50 . 1 . . . . . . . . 5572 1 451 . 1 1 49 49 THR CG2 C 13 23.48 0.50 . 1 . . . . . . . . 5572 1 452 . 1 1 49 49 THR N N 15 122.47 0.50 . 1 . . . . . . . . 5572 1 453 . 1 1 50 50 SER H H 1 7.46 0.03 . 1 . . . . . . . . 5572 1 454 . 1 1 50 50 SER HA H 1 5.55 0.03 . 1 . . . . . . . . 5572 1 455 . 1 1 50 50 SER HB2 H 1 3.26 0.03 . 1 . . . . . . . . 5572 1 456 . 1 1 50 50 SER HB3 H 1 3.26 0.03 . 1 . . . . . . . . 5572 1 457 . 1 1 50 50 SER CA C 13 58.30 0.50 . 1 . . . . . . . . 5572 1 458 . 1 1 50 50 SER CB C 13 68.80 0.50 . 1 . . . . . . . . 5572 1 459 . 1 1 50 50 SER N N 15 113.19 0.50 . 1 . . . . . . . . 5572 1 460 . 1 1 51 51 THR H H 1 8.76 0.03 . 1 . . . . . . . . 5572 1 461 . 1 1 51 51 THR HA H 1 5.34 0.03 . 1 . . . . . . . . 5572 1 462 . 1 1 51 51 THR HB H 1 4.00 0.03 . 1 . . . . . . . . 5572 1 463 . 1 1 51 51 THR HG21 H 1 1.19 0.03 . 1 . . . . . . . . 5572 1 464 . 1 1 51 51 THR HG22 H 1 1.19 0.03 . 1 . . . . . . . . 5572 1 465 . 1 1 51 51 THR HG23 H 1 1.19 0.03 . 1 . . . . . . . . 5572 1 466 . 1 1 51 51 THR CA C 13 61.75 0.50 . 1 . . . . . . . . 5572 1 467 . 1 1 51 51 THR CB C 13 72.03 0.50 . 1 . . . . . . . . 5572 1 468 . 1 1 51 51 THR CG2 C 13 22.70 0.50 . 1 . . . . . . . . 5572 1 469 . 1 1 51 51 THR N N 15 117.54 0.50 . 1 . . . . . . . . 5572 1 470 . 1 1 52 52 SER H H 1 8.86 0.03 . 1 . . . . . . . . 5572 1 471 . 1 1 52 52 SER HA H 1 5.67 0.03 . 1 . . . . . . . . 5572 1 472 . 1 1 52 52 SER HB2 H 1 3.91 0.03 . 1 . . . . . . . . 5572 1 473 . 1 1 52 52 SER HB3 H 1 3.45 0.03 . 1 . . . . . . . . 5572 1 474 . 1 1 52 52 SER CA C 13 56.07 0.50 . 1 . . . . . . . . 5572 1 475 . 1 1 52 52 SER CB C 13 65.77 0.50 . 1 . . . . . . . . 5572 1 476 . 1 1 52 52 SER N N 15 118.52 0.50 . 1 . . . . . . . . 5572 1 477 . 1 1 53 53 THR H H 1 9.33 0.03 . 1 . . . . . . . . 5572 1 478 . 1 1 53 53 THR HA H 1 5.61 0.03 . 1 . . . . . . . . 5572 1 479 . 1 1 53 53 THR HB H 1 4.02 0.03 . 1 . . . . . . . . 5572 1 480 . 1 1 53 53 THR HG21 H 1 1.25 0.03 . 1 . . . . . . . . 5572 1 481 . 1 1 53 53 THR HG22 H 1 1.25 0.03 . 1 . . . . . . . . 5572 1 482 . 1 1 53 53 THR HG23 H 1 1.25 0.03 . 1 . . . . . . . . 5572 1 483 . 1 1 53 53 THR CA C 13 60.55 0.50 . 1 . . . . . . . . 5572 1 484 . 1 1 53 53 THR CB C 13 70.83 0.50 . 1 . . . . . . . . 5572 1 485 . 1 1 53 53 THR CG2 C 13 21.83 0.50 . 1 . . . . . . . . 5572 1 486 . 1 1 53 53 THR N N 15 126.78 0.50 . 1 . . . . . . . . 5572 1 487 . 1 1 54 54 GLY H H 1 8.63 0.03 . 1 . . . . . . . . 5572 1 488 . 1 1 54 54 GLY HA2 H 1 4.46 0.03 . 1 . . . . . . . . 5572 1 489 . 1 1 54 54 GLY HA3 H 1 4.07 0.03 . 1 . . . . . . . . 5572 1 490 . 1 1 54 54 GLY CA C 13 49.02 0.50 . 1 . . . . . . . . 5572 1 491 . 1 1 54 54 GLY N N 15 118.39 0.50 . 1 . . . . . . . . 5572 1 492 . 1 1 55 55 SER H H 1 7.96 0.03 . 1 . . . . . . . . 5572 1 493 . 1 1 55 55 SER HA H 1 5.29 0.03 . 1 . . . . . . . . 5572 1 494 . 1 1 55 55 SER HB2 H 1 3.77 0.03 . 1 . . . . . . . . 5572 1 495 . 1 1 55 55 SER HB3 H 1 3.58 0.03 . 1 . . . . . . . . 5572 1 496 . 1 1 55 55 SER CA C 13 58.26 0.50 . 1 . . . . . . . . 5572 1 497 . 1 1 55 55 SER CB C 13 67.17 0.50 . 1 . . . . . . . . 5572 1 498 . 1 1 55 55 SER N N 15 111.74 0.50 . 1 . . . . . . . . 5572 1 499 . 1 1 56 56 ARG H H 1 9.53 0.03 . 1 . . . . . . . . 5572 1 500 . 1 1 56 56 ARG HA H 1 5.14 0.03 . 1 . . . . . . . . 5572 1 501 . 1 1 56 56 ARG HB2 H 1 1.84 0.03 . 1 . . . . . . . . 5572 1 502 . 1 1 56 56 ARG HB3 H 1 1.67 0.03 . 1 . . . . . . . . 5572 1 503 . 1 1 56 56 ARG HG2 H 1 1.49 0.03 . 1 . . . . . . . . 5572 1 504 . 1 1 56 56 ARG HG3 H 1 1.37 0.03 . 1 . . . . . . . . 5572 1 505 . 1 1 56 56 ARG HD2 H 1 3.11 0.03 . 1 . . . . . . . . 5572 1 506 . 1 1 56 56 ARG HD3 H 1 3.11 0.03 . 1 . . . . . . . . 5572 1 507 . 1 1 56 56 ARG CA C 13 55.73 0.50 . 1 . . . . . . . . 5572 1 508 . 1 1 56 56 ARG CB C 13 30.96 0.50 . 1 . . . . . . . . 5572 1 509 . 1 1 56 56 ARG CG C 13 28.18 0.50 . 1 . . . . . . . . 5572 1 510 . 1 1 56 56 ARG CD C 13 43.78 0.50 . 1 . . . . . . . . 5572 1 511 . 1 1 56 56 ARG N N 15 126.75 0.50 . 1 . . . . . . . . 5572 1 512 . 1 1 57 57 ILE H H 1 9.13 0.03 . 1 . . . . . . . . 5572 1 513 . 1 1 57 57 ILE HA H 1 4.78 0.03 . 1 . . . . . . . . 5572 1 514 . 1 1 57 57 ILE HB H 1 1.80 0.03 . 1 . . . . . . . . 5572 1 515 . 1 1 57 57 ILE HG12 H 1 0.92 0.03 . 1 . . . . . . . . 5572 1 516 . 1 1 57 57 ILE HG13 H 1 0.92 0.03 . 1 . . . . . . . . 5572 1 517 . 1 1 57 57 ILE HG21 H 1 1.20 0.03 . 1 . . . . . . . . 5572 1 518 . 1 1 57 57 ILE HG22 H 1 1.20 0.03 . 1 . . . . . . . . 5572 1 519 . 1 1 57 57 ILE HG23 H 1 1.20 0.03 . 1 . . . . . . . . 5572 1 520 . 1 1 57 57 ILE HD11 H 1 0.68 0.03 . 1 . . . . . . . . 5572 1 521 . 1 1 57 57 ILE HD12 H 1 0.68 0.03 . 1 . . . . . . . . 5572 1 522 . 1 1 57 57 ILE HD13 H 1 0.68 0.03 . 1 . . . . . . . . 5572 1 523 . 1 1 57 57 ILE CA C 13 60.80 0.50 . 1 . . . . . . . . 5572 1 524 . 1 1 57 57 ILE CB C 13 40.80 0.50 . 1 . . . . . . . . 5572 1 525 . 1 1 57 57 ILE CG1 C 13 14.24 0.50 . 1 . . . . . . . . 5572 1 526 . 1 1 57 57 ILE CG2 C 13 26.31 0.50 . 1 . . . . . . . . 5572 1 527 . 1 1 57 57 ILE CD1 C 13 20.34 0.50 . 1 . . . . . . . . 5572 1 528 . 1 1 57 57 ILE N N 15 124.61 0.50 . 1 . . . . . . . . 5572 1 529 . 1 1 58 58 SER H H 1 8.70 0.03 . 1 . . . . . . . . 5572 1 530 . 1 1 58 58 SER HA H 1 5.68 0.03 . 1 . . . . . . . . 5572 1 531 . 1 1 58 58 SER HB2 H 1 3.88 0.03 . 1 . . . . . . . . 5572 1 532 . 1 1 58 58 SER HB3 H 1 3.71 0.03 . 1 . . . . . . . . 5572 1 533 . 1 1 58 58 SER CA C 13 56.72 0.50 . 1 . . . . . . . . 5572 1 534 . 1 1 58 58 SER CB C 13 66.38 0.50 . 1 . . . . . . . . 5572 1 535 . 1 1 58 58 SER N N 15 121.22 0.50 . 1 . . . . . . . . 5572 1 536 . 1 1 59 59 GLY H H 1 8.56 0.03 . 1 . . . . . . . . 5572 1 537 . 1 1 59 59 GLY HA2 H 1 4.42 0.03 . 1 . . . . . . . . 5572 1 538 . 1 1 59 59 GLY HA3 H 1 3.88 0.03 . 1 . . . . . . . . 5572 1 539 . 1 1 59 59 GLY CA C 13 43.59 0.50 . 1 . . . . . . . . 5572 1 540 . 1 1 59 59 GLY N N 15 111.31 0.50 . 1 . . . . . . . . 5572 1 541 . 1 1 60 60 PRO HA H 1 4.98 0.03 . 1 . . . . . . . . 5572 1 542 . 1 1 60 60 PRO HB2 H 1 2.49 0.03 . 1 . . . . . . . . 5572 1 543 . 1 1 60 60 PRO HB3 H 1 2.12 0.03 . 1 . . . . . . . . 5572 1 544 . 1 1 60 60 PRO HG2 H 1 1.92 0.03 . 1 . . . . . . . . 5572 1 545 . 1 1 60 60 PRO HG3 H 1 1.92 0.03 . 1 . . . . . . . . 5572 1 546 . 1 1 60 60 PRO HD2 H 1 3.60 0.03 . 1 . . . . . . . . 5572 1 547 . 1 1 60 60 PRO HD3 H 1 3.52 0.03 . 1 . . . . . . . . 5572 1 548 . 1 1 60 60 PRO CA C 13 63.70 0.50 . 1 . . . . . . . . 5572 1 549 . 1 1 60 60 PRO CB C 13 34.60 0.50 . 1 . . . . . . . . 5572 1 550 . 1 1 60 60 PRO CG C 13 25.27 0.50 . 1 . . . . . . . . 5572 1 551 . 1 1 60 60 PRO CD C 13 50.65 0.50 . 1 . . . . . . . . 5572 1 552 . 1 1 61 61 GLY H H 1 9.05 0.03 . 1 . . . . . . . . 5572 1 553 . 1 1 61 61 GLY HA2 H 1 3.99 0.03 . 1 . . . . . . . . 5572 1 554 . 1 1 61 61 GLY HA3 H 1 3.76 0.03 . 1 . . . . . . . . 5572 1 555 . 1 1 61 61 GLY CA C 13 46.36 0.50 . 1 . . . . . . . . 5572 1 556 . 1 1 61 61 GLY N N 15 108.99 0.50 . 1 . . . . . . . . 5572 1 557 . 1 1 62 62 CYS H H 1 7.34 0.03 . 1 . . . . . . . . 5572 1 558 . 1 1 62 62 CYS HA H 1 5.08 0.03 . 1 . . . . . . . . 5572 1 559 . 1 1 62 62 CYS HB2 H 1 3.35 0.03 . 1 . . . . . . . . 5572 1 560 . 1 1 62 62 CYS HB3 H 1 2.58 0.03 . 1 . . . . . . . . 5572 1 561 . 1 1 62 62 CYS CA C 13 55.22 0.50 . 1 . . . . . . . . 5572 1 562 . 1 1 62 62 CYS CB C 13 37.78 0.50 . 1 . . . . . . . . 5572 1 563 . 1 1 62 62 CYS N N 15 117.50 0.50 . 1 . . . . . . . . 5572 1 564 . 1 1 63 63 LYS H H 1 9.45 0.03 . 1 . . . . . . . . 5572 1 565 . 1 1 63 63 LYS HA H 1 5.31 0.03 . 1 . . . . . . . . 5572 1 566 . 1 1 63 63 LYS HB2 H 1 1.76 0.03 . 1 . . . . . . . . 5572 1 567 . 1 1 63 63 LYS HB3 H 1 1.76 0.03 . 1 . . . . . . . . 5572 1 568 . 1 1 63 63 LYS HG2 H 1 1.39 0.03 . 1 . . . . . . . . 5572 1 569 . 1 1 63 63 LYS HG3 H 1 1.31 0.03 . 1 . . . . . . . . 5572 1 570 . 1 1 63 63 LYS HD2 H 1 1.63 0.03 . 1 . . . . . . . . 5572 1 571 . 1 1 63 63 LYS HD3 H 1 1.63 0.03 . 1 . . . . . . . . 5572 1 572 . 1 1 63 63 LYS HE2 H 1 2.91 0.03 . 1 . . . . . . . . 5572 1 573 . 1 1 63 63 LYS HE3 H 1 2.91 0.03 . 1 . . . . . . . . 5572 1 574 . 1 1 63 63 LYS CA C 13 55.39 0.50 . 1 . . . . . . . . 5572 1 575 . 1 1 63 63 LYS CB C 13 35.19 0.50 . 1 . . . . . . . . 5572 1 576 . 1 1 63 63 LYS CG C 13 24.96 0.50 . 1 . . . . . . . . 5572 1 577 . 1 1 63 63 LYS CD C 13 29.47 0.50 . 1 . . . . . . . . 5572 1 578 . 1 1 63 63 LYS CE C 13 42.25 0.50 . 1 . . . . . . . . 5572 1 579 . 1 1 63 63 LYS N N 15 110.10 0.50 . 1 . . . . . . . . 5572 1 580 . 1 1 64 64 ILE H H 1 8.79 0.03 . 1 . . . . . . . . 5572 1 581 . 1 1 64 64 ILE HA H 1 5.00 0.03 . 1 . . . . . . . . 5572 1 582 . 1 1 64 64 ILE HB H 1 1.32 0.03 . 1 . . . . . . . . 5572 1 583 . 1 1 64 64 ILE HG12 H 1 0.88 0.03 . 1 . . . . . . . . 5572 1 584 . 1 1 64 64 ILE HG13 H 1 0.88 0.03 . 1 . . . . . . . . 5572 1 585 . 1 1 64 64 ILE HG21 H 1 1.11 0.03 . 1 . . . . . . . . 5572 1 586 . 1 1 64 64 ILE HG22 H 1 1.11 0.03 . 1 . . . . . . . . 5572 1 587 . 1 1 64 64 ILE HG23 H 1 1.11 0.03 . 1 . . . . . . . . 5572 1 588 . 1 1 64 64 ILE HD11 H 1 0.86 0.03 . 1 . . . . . . . . 5572 1 589 . 1 1 64 64 ILE HD12 H 1 0.86 0.03 . 1 . . . . . . . . 5572 1 590 . 1 1 64 64 ILE HD13 H 1 0.86 0.03 . 1 . . . . . . . . 5572 1 591 . 1 1 64 64 ILE CA C 13 60.21 0.50 . 1 . . . . . . . . 5572 1 592 . 1 1 64 64 ILE CB C 13 43.04 0.50 . 1 . . . . . . . . 5572 1 593 . 1 1 64 64 ILE CG1 C 13 17.69 0.50 . 1 . . . . . . . . 5572 1 594 . 1 1 64 64 ILE CG2 C 13 28.99 0.50 . 1 . . . . . . . . 5572 1 595 . 1 1 64 64 ILE CD1 C 13 16.36 0.50 . 1 . . . . . . . . 5572 1 596 . 1 1 64 64 ILE N N 15 123.83 0.50 . 1 . . . . . . . . 5572 1 597 . 1 1 65 65 SER H H 1 9.14 0.03 . 1 . . . . . . . . 5572 1 598 . 1 1 65 65 SER HA H 1 5.31 0.03 . 1 . . . . . . . . 5572 1 599 . 1 1 65 65 SER HB2 H 1 3.71 0.03 . 1 . . . . . . . . 5572 1 600 . 1 1 65 65 SER HB3 H 1 3.71 0.03 . 1 . . . . . . . . 5572 1 601 . 1 1 65 65 SER CA C 13 56.03 0.50 . 1 . . . . . . . . 5572 1 602 . 1 1 65 65 SER CB C 13 65.15 0.50 . 1 . . . . . . . . 5572 1 603 . 1 1 65 65 SER N N 15 122.43 0.50 . 1 . . . . . . . . 5572 1 604 . 1 1 66 66 THR H H 1 7.87 0.03 . 1 . . . . . . . . 5572 1 605 . 1 1 66 66 THR HA H 1 4.25 0.03 . 1 . . . . . . . . 5572 1 606 . 1 1 66 66 THR HB H 1 4.57 0.03 . 1 . . . . . . . . 5572 1 607 . 1 1 66 66 THR HG21 H 1 1.27 0.03 . 1 . . . . . . . . 5572 1 608 . 1 1 66 66 THR HG22 H 1 1.27 0.03 . 1 . . . . . . . . 5572 1 609 . 1 1 66 66 THR HG23 H 1 1.27 0.03 . 1 . . . . . . . . 5572 1 610 . 1 1 66 66 THR CA C 13 61.73 0.50 . 1 . . . . . . . . 5572 1 611 . 1 1 66 66 THR CB C 13 65.33 0.50 . 1 . . . . . . . . 5572 1 612 . 1 1 66 66 THR CG2 C 13 23.71 0.50 . 1 . . . . . . . . 5572 1 613 . 1 1 66 66 THR N N 15 117.44 0.50 . 1 . . . . . . . . 5572 1 614 . 1 1 67 67 CYS H H 1 8.29 0.03 . 1 . . . . . . . . 5572 1 615 . 1 1 67 67 CYS HA H 1 5.29 0.03 . 1 . . . . . . . . 5572 1 616 . 1 1 67 67 CYS HB2 H 1 2.84 0.03 . 1 . . . . . . . . 5572 1 617 . 1 1 67 67 CYS HB3 H 1 2.45 0.03 . 1 . . . . . . . . 5572 1 618 . 1 1 67 67 CYS CA C 13 55.67 0.50 . 1 . . . . . . . . 5572 1 619 . 1 1 67 67 CYS CB C 13 25.70 0.50 . 1 . . . . . . . . 5572 1 620 . 1 1 67 67 CYS N N 15 116.34 0.50 . 1 . . . . . . . . 5572 1 621 . 1 1 68 68 ILE H H 1 8.29 0.03 . 1 . . . . . . . . 5572 1 622 . 1 1 68 68 ILE HA H 1 4.68 0.03 . 1 . . . . . . . . 5572 1 623 . 1 1 68 68 ILE CA C 13 57.61 0.50 . 1 . . . . . . . . 5572 1 624 . 1 1 68 68 ILE CB C 13 39.66 0.50 . 1 . . . . . . . . 5572 1 625 . 1 1 68 68 ILE N N 15 120.96 0.50 . 1 . . . . . . . . 5572 1 626 . 1 1 69 69 ILE H H 1 8.16 0.03 . 1 . . . . . . . . 5572 1 627 . 1 1 69 69 ILE HA H 1 4.59 0.03 . 1 . . . . . . . . 5572 1 628 . 1 1 69 69 ILE HB H 1 2.66 0.03 . 1 . . . . . . . . 5572 1 629 . 1 1 69 69 ILE CA C 13 54.22 0.50 . 1 . . . . . . . . 5572 1 630 . 1 1 69 69 ILE CB C 13 41.23 0.50 . 1 . . . . . . . . 5572 1 631 . 1 1 69 69 ILE N N 15 122.20 0.50 . 1 . . . . . . . . 5572 1 632 . 1 1 70 70 THR H H 1 9.35 0.03 . 1 . . . . . . . . 5572 1 633 . 1 1 70 70 THR HA H 1 5.52 0.03 . 1 . . . . . . . . 5572 1 634 . 1 1 70 70 THR HB H 1 4.04 0.03 . 1 . . . . . . . . 5572 1 635 . 1 1 70 70 THR HG21 H 1 1.26 0.03 . 1 . . . . . . . . 5572 1 636 . 1 1 70 70 THR HG22 H 1 1.26 0.03 . 1 . . . . . . . . 5572 1 637 . 1 1 70 70 THR HG23 H 1 1.26 0.03 . 1 . . . . . . . . 5572 1 638 . 1 1 70 70 THR CA C 13 61.29 0.50 . 1 . . . . . . . . 5572 1 639 . 1 1 70 70 THR CB C 13 58.83 0.50 . 1 . . . . . . . . 5572 1 640 . 1 1 70 70 THR CG2 C 13 22.04 0.50 . 1 . . . . . . . . 5572 1 641 . 1 1 70 70 THR N N 15 127.49 0.50 . 1 . . . . . . . . 5572 1 642 . 1 1 71 71 GLY H H 1 8.77 0.03 . 1 . . . . . . . . 5572 1 643 . 1 1 71 71 GLY HA2 H 1 4.30 0.03 . 1 . . . . . . . . 5572 1 644 . 1 1 71 71 GLY HA3 H 1 3.88 0.03 . 1 . . . . . . . . 5572 1 645 . 1 1 71 71 GLY CA C 13 47.54 0.50 . 1 . . . . . . . . 5572 1 646 . 1 1 71 71 GLY N N 15 118.41 0.50 . 1 . . . . . . . . 5572 1 647 . 1 1 72 72 GLY H H 1 8.61 0.03 . 1 . . . . . . . . 5572 1 648 . 1 1 72 72 GLY HA2 H 1 4.07 0.03 . 1 . . . . . . . . 5572 1 649 . 1 1 72 72 GLY HA3 H 1 3.19 0.03 . 1 . . . . . . . . 5572 1 650 . 1 1 72 72 GLY CA C 13 44.92 0.50 . 1 . . . . . . . . 5572 1 651 . 1 1 72 72 GLY N N 15 125.00 0.50 . 1 . . . . . . . . 5572 1 652 . 1 1 73 73 VAL H H 1 7.45 0.03 . 1 . . . . . . . . 5572 1 653 . 1 1 73 73 VAL HA H 1 4.34 0.03 . 1 . . . . . . . . 5572 1 654 . 1 1 73 73 VAL HB H 1 2.16 0.03 . 1 . . . . . . . . 5572 1 655 . 1 1 73 73 VAL HG11 H 1 0.86 0.03 . 1 . . . . . . . . 5572 1 656 . 1 1 73 73 VAL HG12 H 1 0.86 0.03 . 1 . . . . . . . . 5572 1 657 . 1 1 73 73 VAL HG13 H 1 0.86 0.03 . 1 . . . . . . . . 5572 1 658 . 1 1 73 73 VAL HG21 H 1 0.61 0.03 . 1 . . . . . . . . 5572 1 659 . 1 1 73 73 VAL HG22 H 1 0.61 0.03 . 1 . . . . . . . . 5572 1 660 . 1 1 73 73 VAL HG23 H 1 0.61 0.03 . 1 . . . . . . . . 5572 1 661 . 1 1 73 73 VAL CA C 13 59.35 0.50 . 1 . . . . . . . . 5572 1 662 . 1 1 73 73 VAL CB C 13 34.29 0.50 . 1 . . . . . . . . 5572 1 663 . 1 1 73 73 VAL CG1 C 13 20.60 0.50 . 1 . . . . . . . . 5572 1 664 . 1 1 73 73 VAL CG2 C 13 18.15 0.50 . 1 . . . . . . . . 5572 1 665 . 1 1 73 73 VAL N N 15 119.69 0.50 . 1 . . . . . . . . 5572 1 666 . 1 1 74 74 PRO HA H 1 4.51 0.03 . 1 . . . . . . . . 5572 1 667 . 1 1 74 74 PRO HB2 H 1 2.15 0.03 . 1 . . . . . . . . 5572 1 668 . 1 1 74 74 PRO HB3 H 1 2.04 0.03 . 1 . . . . . . . . 5572 1 669 . 1 1 74 74 PRO HD2 H 1 3.93 0.03 . 1 . . . . . . . . 5572 1 670 . 1 1 74 74 PRO HD3 H 1 3.66 0.03 . 1 . . . . . . . . 5572 1 671 . 1 1 74 74 PRO CA C 13 63.05 0.50 . 1 . . . . . . . . 5572 1 672 . 1 1 74 74 PRO CB C 13 27.66 0.50 . 1 . . . . . . . . 5572 1 673 . 1 1 75 75 ALA H H 1 8.33 0.03 . 1 . . . . . . . . 5572 1 674 . 1 1 75 75 ALA HA H 1 4.58 0.03 . 1 . . . . . . . . 5572 1 675 . 1 1 75 75 ALA HB1 H 1 1.37 0.03 . 1 . . . . . . . . 5572 1 676 . 1 1 75 75 ALA HB2 H 1 1.37 0.03 . 1 . . . . . . . . 5572 1 677 . 1 1 75 75 ALA HB3 H 1 1.37 0.03 . 1 . . . . . . . . 5572 1 678 . 1 1 75 75 ALA CA C 13 50.41 0.50 . 1 . . . . . . . . 5572 1 679 . 1 1 75 75 ALA CB C 13 18.25 0.50 . 1 . . . . . . . . 5572 1 680 . 1 1 75 75 ALA N N 15 125.36 0.50 . 1 . . . . . . . . 5572 1 681 . 1 1 76 76 PRO HA H 1 4.51 0.03 . 1 . . . . . . . . 5572 1 682 . 1 1 76 76 PRO HB2 H 1 2.17 0.03 . 1 . . . . . . . . 5572 1 683 . 1 1 76 76 PRO HB3 H 1 2.01 0.03 . 1 . . . . . . . . 5572 1 684 . 1 1 76 76 PRO HD2 H 1 3.93 0.03 . 1 . . . . . . . . 5572 1 685 . 1 1 76 76 PRO HD3 H 1 3.66 0.03 . 1 . . . . . . . . 5572 1 686 . 1 1 76 76 PRO CA C 13 63.08 0.50 . 1 . . . . . . . . 5572 1 687 . 1 1 76 76 PRO CB C 13 31.22 0.50 . 1 . . . . . . . . 5572 1 688 . 1 1 76 76 PRO CD C 13 50.47 0.50 . 1 . . . . . . . . 5572 1 689 . 1 1 77 77 SER H H 1 8.13 0.03 . 1 . . . . . . . . 5572 1 690 . 1 1 77 77 SER HA H 1 4.56 0.03 . 1 . . . . . . . . 5572 1 691 . 1 1 77 77 SER HB2 H 1 4.25 0.03 . 1 . . . . . . . . 5572 1 692 . 1 1 77 77 SER HB3 H 1 3.73 0.03 . 1 . . . . . . . . 5572 1 693 . 1 1 77 77 SER CA C 13 57.50 0.50 . 1 . . . . . . . . 5572 1 694 . 1 1 77 77 SER CB C 13 64.83 0.50 . 1 . . . . . . . . 5572 1 695 . 1 1 77 77 SER N N 15 118.33 0.50 . 1 . . . . . . . . 5572 1 696 . 1 1 78 78 ALA H H 1 8.98 0.03 . 1 . . . . . . . . 5572 1 697 . 1 1 78 78 ALA HA H 1 4.25 0.03 . 1 . . . . . . . . 5572 1 698 . 1 1 78 78 ALA HB1 H 1 1.48 0.03 . 1 . . . . . . . . 5572 1 699 . 1 1 78 78 ALA HB2 H 1 1.48 0.03 . 1 . . . . . . . . 5572 1 700 . 1 1 78 78 ALA HB3 H 1 1.48 0.03 . 1 . . . . . . . . 5572 1 701 . 1 1 78 78 ALA CA C 13 54.48 0.50 . 1 . . . . . . . . 5572 1 702 . 1 1 78 78 ALA CB C 13 18.43 0.50 . 1 . . . . . . . . 5572 1 703 . 1 1 78 78 ALA N N 15 128.83 0.50 . 1 . . . . . . . . 5572 1 704 . 1 1 79 79 ALA H H 1 7.92 0.03 . 1 . . . . . . . . 5572 1 705 . 1 1 79 79 ALA HA H 1 4.30 0.03 . 1 . . . . . . . . 5572 1 706 . 1 1 79 79 ALA HB1 H 1 1.45 0.03 . 1 . . . . . . . . 5572 1 707 . 1 1 79 79 ALA HB2 H 1 1.45 0.03 . 1 . . . . . . . . 5572 1 708 . 1 1 79 79 ALA HB3 H 1 1.45 0.03 . 1 . . . . . . . . 5572 1 709 . 1 1 79 79 ALA CA C 13 52.48 0.50 . 1 . . . . . . . . 5572 1 710 . 1 1 79 79 ALA CB C 13 20.13 0.50 . 1 . . . . . . . . 5572 1 711 . 1 1 79 79 ALA N N 15 117.81 0.50 . 1 . . . . . . . . 5572 1 712 . 1 1 80 80 CYS H H 1 7.06 0.03 . 1 . . . . . . . . 5572 1 713 . 1 1 80 80 CYS HA H 1 5.02 0.03 . 1 . . . . . . . . 5572 1 714 . 1 1 80 80 CYS HB2 H 1 3.70 0.03 . 1 . . . . . . . . 5572 1 715 . 1 1 80 80 CYS HB3 H 1 2.86 0.03 . 1 . . . . . . . . 5572 1 716 . 1 1 80 80 CYS CA C 13 55.74 0.50 . 1 . . . . . . . . 5572 1 717 . 1 1 80 80 CYS CB C 13 38.18 0.50 . 1 . . . . . . . . 5572 1 718 . 1 1 80 80 CYS N N 15 115.93 0.50 . 1 . . . . . . . . 5572 1 719 . 1 1 81 81 LYS H H 1 8.97 0.03 . 1 . . . . . . . . 5572 1 720 . 1 1 81 81 LYS HA H 1 4.76 0.03 . 1 . . . . . . . . 5572 1 721 . 1 1 81 81 LYS HB2 H 1 1.78 0.03 . 1 . . . . . . . . 5572 1 722 . 1 1 81 81 LYS HB3 H 1 1.78 0.03 . 1 . . . . . . . . 5572 1 723 . 1 1 81 81 LYS HG2 H 1 1.65 0.03 . 1 . . . . . . . . 5572 1 724 . 1 1 81 81 LYS HG3 H 1 1.65 0.03 . 1 . . . . . . . . 5572 1 725 . 1 1 81 81 LYS HD2 H 1 1.45 0.03 . 1 . . . . . . . . 5572 1 726 . 1 1 81 81 LYS HD3 H 1 1.45 0.03 . 1 . . . . . . . . 5572 1 727 . 1 1 81 81 LYS HE2 H 1 2.97 0.03 . 1 . . . . . . . . 5572 1 728 . 1 1 81 81 LYS HE3 H 1 2.97 0.03 . 1 . . . . . . . . 5572 1 729 . 1 1 81 81 LYS CA C 13 54.70 0.50 . 1 . . . . . . . . 5572 1 730 . 1 1 81 81 LYS CB C 13 34.25 0.50 . 1 . . . . . . . . 5572 1 731 . 1 1 81 81 LYS CG C 13 28.95 0.50 . 1 . . . . . . . . 5572 1 732 . 1 1 81 81 LYS CD C 13 24.05 0.50 . 1 . . . . . . . . 5572 1 733 . 1 1 81 81 LYS CE C 13 42.37 0.50 . 1 . . . . . . . . 5572 1 734 . 1 1 81 81 LYS N N 15 109.80 0.50 . 1 . . . . . . . . 5572 1 735 . 1 1 82 82 ILE H H 1 8.34 0.03 . 1 . . . . . . . . 5572 1 736 . 1 1 82 82 ILE HA H 1 4.95 0.03 . 1 . . . . . . . . 5572 1 737 . 1 1 82 82 ILE HB H 1 1.67 0.03 . 1 . . . . . . . . 5572 1 738 . 1 1 82 82 ILE HG12 H 1 1.07 0.03 . 1 . . . . . . . . 5572 1 739 . 1 1 82 82 ILE HG13 H 1 1.07 0.03 . 1 . . . . . . . . 5572 1 740 . 1 1 82 82 ILE HG21 H 1 1.79 0.03 . 1 . . . . . . . . 5572 1 741 . 1 1 82 82 ILE HG22 H 1 1.79 0.03 . 1 . . . . . . . . 5572 1 742 . 1 1 82 82 ILE HG23 H 1 1.79 0.03 . 1 . . . . . . . . 5572 1 743 . 1 1 82 82 ILE HD11 H 1 0.87 0.03 . 1 . . . . . . . . 5572 1 744 . 1 1 82 82 ILE HD12 H 1 0.87 0.03 . 1 . . . . . . . . 5572 1 745 . 1 1 82 82 ILE HD13 H 1 0.87 0.03 . 1 . . . . . . . . 5572 1 746 . 1 1 82 82 ILE CA C 13 60.66 0.50 . 1 . . . . . . . . 5572 1 747 . 1 1 82 82 ILE CB C 13 42.71 0.50 . 1 . . . . . . . . 5572 1 748 . 1 1 82 82 ILE CG1 C 13 18.71 0.50 . 1 . . . . . . . . 5572 1 749 . 1 1 82 82 ILE CG2 C 13 28.89 0.50 . 1 . . . . . . . . 5572 1 750 . 1 1 82 82 ILE CD1 C 13 14.44 0.50 . 1 . . . . . . . . 5572 1 751 . 1 1 82 82 ILE N N 15 124.28 0.50 . 1 . . . . . . . . 5572 1 752 . 1 1 83 83 SER H H 1 8.95 0.03 . 1 . . . . . . . . 5572 1 753 . 1 1 83 83 SER HA H 1 4.75 0.03 . 1 . . . . . . . . 5572 1 754 . 1 1 83 83 SER HB2 H 1 3.84 0.03 . 1 . . . . . . . . 5572 1 755 . 1 1 83 83 SER HB3 H 1 3.84 0.03 . 1 . . . . . . . . 5572 1 756 . 1 1 83 83 SER CA C 13 57.54 0.50 . 1 . . . . . . . . 5572 1 757 . 1 1 83 83 SER CB C 13 65.08 0.50 . 1 . . . . . . . . 5572 1 758 . 1 1 83 83 SER N N 15 121.03 0.50 . 1 . . . . . . . . 5572 1 759 . 1 1 84 84 GLY H H 1 8.83 0.03 . 1 . . . . . . . . 5572 1 760 . 1 1 84 84 GLY HA2 H 1 4.17 0.03 . 1 . . . . . . . . 5572 1 761 . 1 1 84 84 GLY HA3 H 1 3.87 0.03 . 1 . . . . . . . . 5572 1 762 . 1 1 84 84 GLY CA C 13 46.86 0.50 . 1 . . . . . . . . 5572 1 763 . 1 1 84 84 GLY N N 15 113.16 0.50 . 1 . . . . . . . . 5572 1 764 . 1 1 85 85 CYS H H 1 7.72 0.03 . 1 . . . . . . . . 5572 1 765 . 1 1 85 85 CYS HA H 1 5.07 0.03 . 1 . . . . . . . . 5572 1 766 . 1 1 85 85 CYS HB2 H 1 2.42 0.03 . 1 . . . . . . . . 5572 1 767 . 1 1 85 85 CYS HB3 H 1 2.09 0.03 . 1 . . . . . . . . 5572 1 768 . 1 1 85 85 CYS CA C 13 55.56 0.50 . 1 . . . . . . . . 5572 1 769 . 1 1 85 85 CYS CB C 13 48.00 0.50 . 1 . . . . . . . . 5572 1 770 . 1 1 85 85 CYS N N 15 115.59 0.50 . 1 . . . . . . . . 5572 1 771 . 1 1 86 86 THR H H 1 8.71 0.03 . 1 . . . . . . . . 5572 1 772 . 1 1 86 86 THR HA H 1 4.42 0.03 . 1 . . . . . . . . 5572 1 773 . 1 1 86 86 THR HB H 1 4.00 0.03 . 1 . . . . . . . . 5572 1 774 . 1 1 86 86 THR HG21 H 1 1.21 0.03 . 1 . . . . . . . . 5572 1 775 . 1 1 86 86 THR HG22 H 1 1.21 0.03 . 1 . . . . . . . . 5572 1 776 . 1 1 86 86 THR HG23 H 1 1.21 0.03 . 1 . . . . . . . . 5572 1 777 . 1 1 86 86 THR CA C 13 61.92 0.50 . 1 . . . . . . . . 5572 1 778 . 1 1 86 86 THR CB C 13 70.53 0.50 . 1 . . . . . . . . 5572 1 779 . 1 1 86 86 THR CG2 C 13 21.39 0.50 . 1 . . . . . . . . 5572 1 780 . 1 1 86 86 THR N N 15 118.17 0.50 . 1 . . . . . . . . 5572 1 781 . 1 1 87 87 PHE H H 1 8.91 0.03 . 1 . . . . . . . . 5572 1 782 . 1 1 87 87 PHE HA H 1 5.62 0.03 . 1 . . . . . . . . 5572 1 783 . 1 1 87 87 PHE HB2 H 1 3.41 0.03 . 1 . . . . . . . . 5572 1 784 . 1 1 87 87 PHE HB3 H 1 2.91 0.03 . 1 . . . . . . . . 5572 1 785 . 1 1 87 87 PHE HD1 H 1 7.20 0.03 . 3 . . . . . . . . 5572 1 786 . 1 1 87 87 PHE HE1 H 1 7.04 0.03 . 3 . . . . . . . . 5572 1 787 . 1 1 87 87 PHE CA C 13 57.22 0.50 . 1 . . . . . . . . 5572 1 788 . 1 1 87 87 PHE CB C 13 44.77 0.50 . 1 . . . . . . . . 5572 1 789 . 1 1 87 87 PHE N N 15 123.11 0.50 . 1 . . . . . . . . 5572 1 790 . 1 1 88 88 SER H H 1 9.00 0.03 . 1 . . . . . . . . 5572 1 791 . 1 1 88 88 SER HA H 1 4.82 0.03 . 1 . . . . . . . . 5572 1 792 . 1 1 88 88 SER HB2 H 1 4.04 0.03 . 1 . . . . . . . . 5572 1 793 . 1 1 88 88 SER HB3 H 1 4.04 0.03 . 1 . . . . . . . . 5572 1 794 . 1 1 88 88 SER CA C 13 58.01 0.50 . 1 . . . . . . . . 5572 1 795 . 1 1 88 88 SER CB C 13 65.81 0.50 . 1 . . . . . . . . 5572 1 796 . 1 1 88 88 SER N N 15 112.77 0.50 . 1 . . . . . . . . 5572 1 797 . 1 1 89 89 ALA H H 1 8.81 0.03 . 1 . . . . . . . . 5572 1 798 . 1 1 89 89 ALA HA H 1 4.31 0.03 . 1 . . . . . . . . 5572 1 799 . 1 1 89 89 ALA HB1 H 1 1.48 0.03 . 1 . . . . . . . . 5572 1 800 . 1 1 89 89 ALA HB2 H 1 1.48 0.03 . 1 . . . . . . . . 5572 1 801 . 1 1 89 89 ALA HB3 H 1 1.48 0.03 . 1 . . . . . . . . 5572 1 802 . 1 1 89 89 ALA CA C 13 53.23 0.50 . 1 . . . . . . . . 5572 1 803 . 1 1 89 89 ALA CB C 13 18.96 0.50 . 1 . . . . . . . . 5572 1 804 . 1 1 89 89 ALA N N 15 125.74 0.50 . 1 . . . . . . . . 5572 1 805 . 1 1 90 90 ASN H H 1 7.64 0.03 . 1 . . . . . . . . 5572 1 806 . 1 1 90 90 ASN HA H 1 4.67 0.03 . 1 . . . . . . . . 5572 1 807 . 1 1 90 90 ASN HB2 H 1 2.49 0.03 . 1 . . . . . . . . 5572 1 808 . 1 1 90 90 ASN HB3 H 1 2.08 0.03 . 1 . . . . . . . . 5572 1 809 . 1 1 90 90 ASN HD21 H 1 7.09 0.03 . 1 . . . . . . . . 5572 1 810 . 1 1 90 90 ASN HD22 H 1 6.59 0.03 . 1 . . . . . . . . 5572 1 811 . 1 1 90 90 ASN CA C 13 53.93 0.50 . 1 . . . . . . . . 5572 1 812 . 1 1 90 90 ASN CB C 13 42.35 0.50 . 1 . . . . . . . . 5572 1 813 . 1 1 90 90 ASN N N 15 124.78 0.50 . 1 . . . . . . . . 5572 1 814 . 1 1 90 90 ASN ND2 N 15 111.68 0.50 . 1 . . . . . . . . 5572 1 stop_ save_