data_10128 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10128 _Entry.Title ; Solution structure of the second FNIII domain of DSCAML1 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-02 _Entry.Accession_date 2007-04-04 _Entry.Last_release_date 2008-09-02 _Entry.Original_release_date 2008-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version production.3.0.2.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 X. Qin . . . 10128 2 F. Hayashi . . . 10128 3 S. Yokoyama . . . 10128 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10128 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10128 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 503 10128 '15N chemical shifts' 130 10128 '1H chemical shifts' 799 10128 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 . . 2008-09-02 2007-04-02 original author . 10128 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1VA9 'BMRB Entry Tracking System' 10128 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10128 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the second FNIII domain of DSCAML1 protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 X. Qin . . . 10128 1 2 F. Hayashi . . . 10128 1 3 S. Yokoyama . . . 10128 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10128 _Assembly.ID 1 _Assembly.Name 'second FNIII domain of DSCAML1 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'second FNIII domain of DSCAML1 protein' 1 $entity_1 A . yes native no no . . . 10128 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 . PDB 1VA9 . . 'solution NMR' . . . 10128 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10128 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FNIII domain' _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 ; GSSGSSGISTEEAAPDGPPM DVTLQPVTSQSIQVTWKAPK KELQNGVIRGYQIGYRENSP GSNGQYSIVEMKATGDSEVY TLDNLKKFAQYGVVVQAFNR AGTGPSSSEINATTLESGPS SG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1VA9 . "Solution Structure Of The Second Fniii Domain Of Dscaml1 Protein" . . . . . 100.00 122 100.00 100.00 1.56e-80 . . . . 10128 1 2 no GB EDL25653 . "mCG141917 [Mus musculus]" . . . . . 70.49 1136 100.00 100.00 2.74e-49 . . . . 10128 1 3 no REF XP_008567853 . "PREDICTED: LOW QUALITY PROTEIN: Down syndrome cell adhesion molecule-like protein 1 [Galeopterus variegatus]" . . . . . 92.62 2105 97.35 98.23 5.84e-65 . . . . 10128 1 4 no REF XP_009635232 . "PREDICTED: Down syndrome cell adhesion molecule-like protein 1 [Egretta garzetta]" . . . . . 66.39 1071 98.77 98.77 4.64e-44 . . . . 10128 1 5 no REF XP_009915740 . "PREDICTED: Down syndrome cell adhesion molecule-like protein 1 homolog, partial [Haliaeetus albicilla]" . . . . . 86.89 152 97.17 98.11 5.64e-67 . . . . 10128 1 6 no REF XP_010117466 . "PREDICTED: Down syndrome cell adhesion molecule-like protein 1, partial [Chlamydotis macqueenii]" . . . . . 89.34 211 99.08 100.00 7.02e-71 . . . . 10128 1 7 no REF XP_010180789 . "PREDICTED: Down syndrome cell adhesion molecule-like protein 1, partial [Mesitornis unicolor]" . . . . . 92.62 906 97.35 98.23 6.45e-66 . . . . 10128 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FNIII domain' . 10128 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 . GLY . 10128 1 2 . SER . 10128 1 3 . SER . 10128 1 4 . GLY . 10128 1 5 . SER . 10128 1 6 . SER . 10128 1 7 . GLY . 10128 1 8 . ILE . 10128 1 9 . SER . 10128 1 10 . THR . 10128 1 11 . GLU . 10128 1 12 . GLU . 10128 1 13 . ALA . 10128 1 14 . ALA . 10128 1 15 . PRO . 10128 1 16 . ASP . 10128 1 17 . GLY . 10128 1 18 . PRO . 10128 1 19 . PRO . 10128 1 20 . MET . 10128 1 21 . ASP . 10128 1 22 . VAL . 10128 1 23 . THR . 10128 1 24 . LEU . 10128 1 25 . GLN . 10128 1 26 . PRO . 10128 1 27 . VAL . 10128 1 28 . THR . 10128 1 29 . SER . 10128 1 30 . GLN . 10128 1 31 . SER . 10128 1 32 . ILE . 10128 1 33 . GLN . 10128 1 34 . VAL . 10128 1 35 . THR . 10128 1 36 . TRP . 10128 1 37 . LYS . 10128 1 38 . ALA . 10128 1 39 . PRO . 10128 1 40 . LYS . 10128 1 41 . LYS . 10128 1 42 . GLU . 10128 1 43 . LEU . 10128 1 44 . GLN . 10128 1 45 . ASN . 10128 1 46 . GLY . 10128 1 47 . VAL . 10128 1 48 . ILE . 10128 1 49 . ARG . 10128 1 50 . GLY . 10128 1 51 . TYR . 10128 1 52 . GLN . 10128 1 53 . ILE . 10128 1 54 . GLY . 10128 1 55 . TYR . 10128 1 56 . ARG . 10128 1 57 . GLU . 10128 1 58 . ASN . 10128 1 59 . SER . 10128 1 60 . PRO . 10128 1 61 . GLY . 10128 1 62 . SER . 10128 1 63 . ASN . 10128 1 64 . GLY . 10128 1 65 . GLN . 10128 1 66 . TYR . 10128 1 67 . SER . 10128 1 68 . ILE . 10128 1 69 . VAL . 10128 1 70 . GLU . 10128 1 71 . MET . 10128 1 72 . LYS . 10128 1 73 . ALA . 10128 1 74 . THR . 10128 1 75 . GLY . 10128 1 76 . ASP . 10128 1 77 . SER . 10128 1 78 . GLU . 10128 1 79 . VAL . 10128 1 80 . TYR . 10128 1 81 . THR . 10128 1 82 . LEU . 10128 1 83 . ASP . 10128 1 84 . ASN . 10128 1 85 . LEU . 10128 1 86 . LYS . 10128 1 87 . LYS . 10128 1 88 . PHE . 10128 1 89 . ALA . 10128 1 90 . GLN . 10128 1 91 . TYR . 10128 1 92 . GLY . 10128 1 93 . VAL . 10128 1 94 . VAL . 10128 1 95 . VAL . 10128 1 96 . GLN . 10128 1 97 . ALA . 10128 1 98 . PHE . 10128 1 99 . ASN . 10128 1 100 . ARG . 10128 1 101 . ALA . 10128 1 102 . GLY . 10128 1 103 . THR . 10128 1 104 . GLY . 10128 1 105 . PRO . 10128 1 106 . SER . 10128 1 107 . SER . 10128 1 108 . SER . 10128 1 109 . GLU . 10128 1 110 . ILE . 10128 1 111 . ASN . 10128 1 112 . ALA . 10128 1 113 . THR . 10128 1 114 . THR . 10128 1 115 . LEU . 10128 1 116 . GLU . 10128 1 117 . SER . 10128 1 118 . GLY . 10128 1 119 . PRO . 10128 1 120 . SER . 10128 1 121 . SER . 10128 1 122 . GLY . 10128 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 . GLY 1 1 10128 1 . SER 2 2 10128 1 . SER 3 3 10128 1 . GLY 4 4 10128 1 . SER 5 5 10128 1 . SER 6 6 10128 1 . GLY 7 7 10128 1 . ILE 8 8 10128 1 . SER 9 9 10128 1 . THR 10 10 10128 1 . GLU 11 11 10128 1 . GLU 12 12 10128 1 . ALA 13 13 10128 1 . ALA 14 14 10128 1 . PRO 15 15 10128 1 . ASP 16 16 10128 1 . GLY 17 17 10128 1 . PRO 18 18 10128 1 . PRO 19 19 10128 1 . MET 20 20 10128 1 . ASP 21 21 10128 1 . VAL 22 22 10128 1 . THR 23 23 10128 1 . LEU 24 24 10128 1 . GLN 25 25 10128 1 . PRO 26 26 10128 1 . VAL 27 27 10128 1 . THR 28 28 10128 1 . SER 29 29 10128 1 . GLN 30 30 10128 1 . SER 31 31 10128 1 . ILE 32 32 10128 1 . GLN 33 33 10128 1 . VAL 34 34 10128 1 . THR 35 35 10128 1 . TRP 36 36 10128 1 . LYS 37 37 10128 1 . ALA 38 38 10128 1 . PRO 39 39 10128 1 . LYS 40 40 10128 1 . LYS 41 41 10128 1 . GLU 42 42 10128 1 . LEU 43 43 10128 1 . GLN 44 44 10128 1 . ASN 45 45 10128 1 . GLY 46 46 10128 1 . VAL 47 47 10128 1 . ILE 48 48 10128 1 . ARG 49 49 10128 1 . GLY 50 50 10128 1 . TYR 51 51 10128 1 . GLN 52 52 10128 1 . ILE 53 53 10128 1 . GLY 54 54 10128 1 . TYR 55 55 10128 1 . ARG 56 56 10128 1 . GLU 57 57 10128 1 . ASN 58 58 10128 1 . SER 59 59 10128 1 . PRO 60 60 10128 1 . GLY 61 61 10128 1 . SER 62 62 10128 1 . ASN 63 63 10128 1 . GLY 64 64 10128 1 . GLN 65 65 10128 1 . TYR 66 66 10128 1 . SER 67 67 10128 1 . ILE 68 68 10128 1 . VAL 69 69 10128 1 . GLU 70 70 10128 1 . MET 71 71 10128 1 . LYS 72 72 10128 1 . ALA 73 73 10128 1 . THR 74 74 10128 1 . GLY 75 75 10128 1 . ASP 76 76 10128 1 . SER 77 77 10128 1 . GLU 78 78 10128 1 . VAL 79 79 10128 1 . TYR 80 80 10128 1 . THR 81 81 10128 1 . LEU 82 82 10128 1 . ASP 83 83 10128 1 . ASN 84 84 10128 1 . LEU 85 85 10128 1 . LYS 86 86 10128 1 . LYS 87 87 10128 1 . PHE 88 88 10128 1 . ALA 89 89 10128 1 . GLN 90 90 10128 1 . TYR 91 91 10128 1 . GLY 92 92 10128 1 . VAL 93 93 10128 1 . VAL 94 94 10128 1 . VAL 95 95 10128 1 . GLN 96 96 10128 1 . ALA 97 97 10128 1 . PHE 98 98 10128 1 . ASN 99 99 10128 1 . ARG 100 100 10128 1 . ALA 101 101 10128 1 . GLY 102 102 10128 1 . THR 103 103 10128 1 . GLY 104 104 10128 1 . PRO 105 105 10128 1 . SER 106 106 10128 1 . SER 107 107 10128 1 . SER 108 108 10128 1 . GLU 109 109 10128 1 . ILE 110 110 10128 1 . ASN 111 111 10128 1 . ALA 112 112 10128 1 . THR 113 113 10128 1 . THR 114 114 10128 1 . LEU 115 115 10128 1 . GLU 116 116 10128 1 . SER 117 117 10128 1 . GLY 118 118 10128 1 . PRO 119 119 10128 1 . SER 120 120 10128 1 . SER 121 121 10128 1 . GLY 122 122 10128 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 10128 _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 $entity_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10128 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 10128 _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 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plsmid . . P030623-12 . . . . . . 10128 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10128 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FNIII domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.05 . . mM . . . . 10128 1 2 PiNa . . . . . . . 20 . . mM . . . . 10128 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10128 1 4 d10-DTT . . . . . . salt 1.0 . . mM . . . . 10128 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10128 1 6 H2O . . . . . . solvent 90 . . % . . . . 10128 1 7 D2O . . . . . . solvent 10 . . % . . . . 10128 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 10128 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10128 1 pH 6.0 0.05 pH 10128 1 pressure 1 0.001 atm 10128 1 temperature 298 0.1 K 10128 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10128 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 10128 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10128 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10128 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10128 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10128 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10128 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10128 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10128 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10128 _Software.ID 4 _Software.Name Kujira _Software.Version 0.854 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10128 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10128 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10128 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10128 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10128 5 'structure solution' 10128 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10128 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10128 _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 Varian INOVA . 800 . . . 10128 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 10128 _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 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10128 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10128 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10128 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 . . . . . . . . . 10128 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10128 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10128 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10128 _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 $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10128 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10128 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 GLY HA2 H 1 4.088 0.030 . 2 . . . . 1 GLY HA2 . 10128 1 2 . 1 1 1 1 GLY HA3 H 1 3.909 0.030 . 2 . . . . 1 GLY HA3 . 10128 1 3 . 1 1 2 2 SER HA H 1 4.587 0.030 . 1 . . . . 2 SER HA . 10128 1 4 . 1 1 2 2 SER HB2 H 1 3.908 0.030 . 1 . . . . 2 SER HB2 . 10128 1 5 . 1 1 2 2 SER HB3 H 1 3.908 0.030 . 1 . . . . 2 SER HB3 . 10128 1 6 . 1 1 2 2 SER C C 13 174.747 0.300 . 1 . . . . 2 SER C . 10128 1 7 . 1 1 2 2 SER CA C 13 58.343 0.300 . 1 . . . . 2 SER CA . 10128 1 8 . 1 1 2 2 SER CB C 13 63.922 0.300 . 1 . . . . 2 SER CB . 10128 1 9 . 1 1 3 3 SER H H 1 8.582 0.030 . 1 . . . . 3 SER H . 10128 1 10 . 1 1 3 3 SER HA H 1 4.524 0.030 . 1 . . . . 3 SER HA . 10128 1 11 . 1 1 3 3 SER HB2 H 1 3.914 0.030 . 1 . . . . 3 SER HB2 . 10128 1 12 . 1 1 3 3 SER HB3 H 1 3.914 0.030 . 1 . . . . 3 SER HB3 . 10128 1 13 . 1 1 3 3 SER C C 13 175.091 0.300 . 1 . . . . 3 SER C . 10128 1 14 . 1 1 3 3 SER CA C 13 58.499 0.300 . 1 . . . . 3 SER CA . 10128 1 15 . 1 1 3 3 SER CB C 13 63.784 0.300 . 1 . . . . 3 SER CB . 10128 1 16 . 1 1 3 3 SER N N 15 118.104 0.300 . 1 . . . . 3 SER N . 10128 1 17 . 1 1 4 4 GLY H H 1 8.473 0.030 . 1 . . . . 4 GLY H . 10128 1 18 . 1 1 4 4 GLY HA2 H 1 4.034 0.030 . 1 . . . . 4 GLY HA2 . 10128 1 19 . 1 1 4 4 GLY HA3 H 1 4.034 0.030 . 1 . . . . 4 GLY HA3 . 10128 1 20 . 1 1 4 4 GLY C C 13 174.374 0.300 . 1 . . . . 4 GLY C . 10128 1 21 . 1 1 4 4 GLY CA C 13 45.436 0.300 . 1 . . . . 4 GLY CA . 10128 1 22 . 1 1 4 4 GLY N N 15 110.894 0.300 . 1 . . . . 4 GLY N . 10128 1 23 . 1 1 5 5 SER H H 1 8.288 0.030 . 1 . . . . 5 SER H . 10128 1 24 . 1 1 5 5 SER HA H 1 4.531 0.030 . 1 . . . . 5 SER HA . 10128 1 25 . 1 1 5 5 SER HB2 H 1 3.894 0.030 . 1 . . . . 5 SER HB2 . 10128 1 26 . 1 1 5 5 SER HB3 H 1 3.894 0.030 . 1 . . . . 5 SER HB3 . 10128 1 27 . 1 1 5 5 SER C C 13 174.849 0.300 . 1 . . . . 5 SER C . 10128 1 28 . 1 1 5 5 SER CA C 13 58.384 0.300 . 1 . . . . 5 SER CA . 10128 1 29 . 1 1 5 5 SER CB C 13 63.852 0.300 . 1 . . . . 5 SER CB . 10128 1 30 . 1 1 5 5 SER N N 15 115.814 0.300 . 1 . . . . 5 SER N . 10128 1 31 . 1 1 6 6 SER H H 1 8.445 0.030 . 1 . . . . 6 SER H . 10128 1 32 . 1 1 6 6 SER HA H 1 4.491 0.030 . 1 . . . . 6 SER HA . 10128 1 33 . 1 1 6 6 SER HB2 H 1 3.914 0.030 . 1 . . . . 6 SER HB2 . 10128 1 34 . 1 1 6 6 SER HB3 H 1 3.914 0.030 . 1 . . . . 6 SER HB3 . 10128 1 35 . 1 1 6 6 SER C C 13 174.974 0.300 . 1 . . . . 6 SER C . 10128 1 36 . 1 1 6 6 SER CA C 13 58.547 0.300 . 1 . . . . 6 SER CA . 10128 1 37 . 1 1 6 6 SER CB C 13 63.885 0.300 . 1 . . . . 6 SER CB . 10128 1 38 . 1 1 6 6 SER N N 15 117.820 0.300 . 1 . . . . 6 SER N . 10128 1 39 . 1 1 7 7 GLY H H 1 8.385 0.030 . 1 . . . . 7 GLY H . 10128 1 40 . 1 1 7 7 GLY HA2 H 1 3.966 0.030 . 1 . . . . 7 GLY HA2 . 10128 1 41 . 1 1 7 7 GLY HA3 H 1 3.966 0.030 . 1 . . . . 7 GLY HA3 . 10128 1 42 . 1 1 7 7 GLY C C 13 173.924 0.300 . 1 . . . . 7 GLY C . 10128 1 43 . 1 1 7 7 GLY CA C 13 45.277 0.300 . 1 . . . . 7 GLY CA . 10128 1 44 . 1 1 7 7 GLY N N 15 110.754 0.300 . 1 . . . . 7 GLY N . 10128 1 45 . 1 1 8 8 ILE H H 1 7.971 0.030 . 1 . . . . 8 ILE H . 10128 1 46 . 1 1 8 8 ILE HA H 1 4.229 0.030 . 1 . . . . 8 ILE HA . 10128 1 47 . 1 1 8 8 ILE HB H 1 1.848 0.030 . 1 . . . . 8 ILE HB . 10128 1 48 . 1 1 8 8 ILE HG12 H 1 1.429 0.030 . 2 . . . . 8 ILE HG12 . 10128 1 49 . 1 1 8 8 ILE HG13 H 1 1.144 0.030 . 2 . . . . 8 ILE HG13 . 10128 1 50 . 1 1 8 8 ILE HG21 H 1 0.894 0.030 . 1 . . . . 8 ILE HG2 . 10128 1 51 . 1 1 8 8 ILE HG22 H 1 0.894 0.030 . 1 . . . . 8 ILE HG2 . 10128 1 52 . 1 1 8 8 ILE HG23 H 1 0.894 0.030 . 1 . . . . 8 ILE HG2 . 10128 1 53 . 1 1 8 8 ILE HD11 H 1 0.843 0.030 . 1 . . . . 8 ILE HD1 . 10128 1 54 . 1 1 8 8 ILE HD12 H 1 0.843 0.030 . 1 . . . . 8 ILE HD1 . 10128 1 55 . 1 1 8 8 ILE HD13 H 1 0.843 0.030 . 1 . . . . 8 ILE HD1 . 10128 1 56 . 1 1 8 8 ILE C C 13 176.381 0.300 . 1 . . . . 8 ILE C . 10128 1 57 . 1 1 8 8 ILE CA C 13 61.051 0.300 . 1 . . . . 8 ILE CA . 10128 1 58 . 1 1 8 8 ILE CB C 13 38.952 0.300 . 1 . . . . 8 ILE CB . 10128 1 59 . 1 1 8 8 ILE CG1 C 13 27.159 0.300 . 1 . . . . 8 ILE CG1 . 10128 1 60 . 1 1 8 8 ILE CG2 C 13 17.508 0.300 . 1 . . . . 8 ILE CG2 . 10128 1 61 . 1 1 8 8 ILE CD1 C 13 13.025 0.300 . 1 . . . . 8 ILE CD1 . 10128 1 62 . 1 1 8 8 ILE N N 15 119.854 0.300 . 1 . . . . 8 ILE N . 10128 1 63 . 1 1 9 9 SER H H 1 8.476 0.030 . 1 . . . . 9 SER H . 10128 1 64 . 1 1 9 9 SER HA H 1 4.556 0.030 . 1 . . . . 9 SER HA . 10128 1 65 . 1 1 9 9 SER HB2 H 1 3.868 0.030 . 1 . . . . 9 SER HB2 . 10128 1 66 . 1 1 9 9 SER HB3 H 1 3.868 0.030 . 1 . . . . 9 SER HB3 . 10128 1 67 . 1 1 9 9 SER C C 13 174.698 0.300 . 1 . . . . 9 SER C . 10128 1 68 . 1 1 9 9 SER CA C 13 58.210 0.300 . 1 . . . . 9 SER CA . 10128 1 69 . 1 1 9 9 SER CB C 13 63.885 0.300 . 1 . . . . 9 SER CB . 10128 1 70 . 1 1 9 9 SER N N 15 120.257 0.300 . 1 . . . . 9 SER N . 10128 1 71 . 1 1 10 10 THR H H 1 8.208 0.030 . 1 . . . . 10 THR H . 10128 1 72 . 1 1 10 10 THR HA H 1 4.348 0.030 . 1 . . . . 10 THR HA . 10128 1 73 . 1 1 10 10 THR HB H 1 4.249 0.030 . 1 . . . . 10 THR HB . 10128 1 74 . 1 1 10 10 THR HG21 H 1 1.178 0.030 . 1 . . . . 10 THR HG2 . 10128 1 75 . 1 1 10 10 THR HG22 H 1 1.178 0.030 . 1 . . . . 10 THR HG2 . 10128 1 76 . 1 1 10 10 THR HG23 H 1 1.178 0.030 . 1 . . . . 10 THR HG2 . 10128 1 77 . 1 1 10 10 THR C C 13 174.240 0.300 . 1 . . . . 10 THR C . 10128 1 78 . 1 1 10 10 THR CA C 13 61.799 0.300 . 1 . . . . 10 THR CA . 10128 1 79 . 1 1 10 10 THR CB C 13 69.660 0.300 . 1 . . . . 10 THR CB . 10128 1 80 . 1 1 10 10 THR CG2 C 13 21.642 0.300 . 1 . . . . 10 THR CG2 . 10128 1 81 . 1 1 10 10 THR N N 15 116.063 0.300 . 1 . . . . 10 THR N . 10128 1 82 . 1 1 11 11 GLU H H 1 8.483 0.030 . 1 . . . . 11 GLU H . 10128 1 83 . 1 1 11 11 GLU HA H 1 4.330 0.030 . 1 . . . . 11 GLU HA . 10128 1 84 . 1 1 11 11 GLU HB2 H 1 2.082 0.030 . 2 . . . . 11 GLU HB2 . 10128 1 85 . 1 1 11 11 GLU HB3 H 1 1.889 0.030 . 2 . . . . 11 GLU HB3 . 10128 1 86 . 1 1 11 11 GLU HG2 H 1 2.277 0.030 . 1 . . . . 11 GLU HG2 . 10128 1 87 . 1 1 11 11 GLU HG3 H 1 2.277 0.030 . 1 . . . . 11 GLU HG3 . 10128 1 88 . 1 1 11 11 GLU C C 13 175.998 0.300 . 1 . . . . 11 GLU C . 10128 1 89 . 1 1 11 11 GLU CA C 13 56.368 0.300 . 1 . . . . 11 GLU CA . 10128 1 90 . 1 1 11 11 GLU CB C 13 30.377 0.300 . 1 . . . . 11 GLU CB . 10128 1 91 . 1 1 11 11 GLU CG C 13 36.367 0.300 . 1 . . . . 11 GLU CG . 10128 1 92 . 1 1 11 11 GLU N N 15 123.171 0.300 . 1 . . . . 11 GLU N . 10128 1 93 . 1 1 12 12 GLU H H 1 8.271 0.030 . 1 . . . . 12 GLU H . 10128 1 94 . 1 1 12 12 GLU HA H 1 4.378 0.030 . 1 . . . . 12 GLU HA . 10128 1 95 . 1 1 12 12 GLU HB2 H 1 2.044 0.030 . 2 . . . . 12 GLU HB2 . 10128 1 96 . 1 1 12 12 GLU HB3 H 1 1.846 0.030 . 2 . . . . 12 GLU HB3 . 10128 1 97 . 1 1 12 12 GLU HG2 H 1 2.345 0.030 . 2 . . . . 12 GLU HG2 . 10128 1 98 . 1 1 12 12 GLU HG3 H 1 2.206 0.030 . 2 . . . . 12 GLU HG3 . 10128 1 99 . 1 1 12 12 GLU C C 13 174.815 0.300 . 1 . . . . 12 GLU C . 10128 1 100 . 1 1 12 12 GLU CA C 13 56.432 0.300 . 1 . . . . 12 GLU CA . 10128 1 101 . 1 1 12 12 GLU CB C 13 31.462 0.300 . 1 . . . . 12 GLU CB . 10128 1 102 . 1 1 12 12 GLU CG C 13 36.938 0.300 . 1 . . . . 12 GLU CG . 10128 1 103 . 1 1 12 12 GLU N N 15 121.294 0.300 . 1 . . . . 12 GLU N . 10128 1 104 . 1 1 13 13 ALA H H 1 8.121 0.030 . 1 . . . . 13 ALA H . 10128 1 105 . 1 1 13 13 ALA HA H 1 4.464 0.030 . 1 . . . . 13 ALA HA . 10128 1 106 . 1 1 13 13 ALA HB1 H 1 1.303 0.030 . 1 . . . . 13 ALA HB . 10128 1 107 . 1 1 13 13 ALA HB2 H 1 1.303 0.030 . 1 . . . . 13 ALA HB . 10128 1 108 . 1 1 13 13 ALA HB3 H 1 1.303 0.030 . 1 . . . . 13 ALA HB . 10128 1 109 . 1 1 13 13 ALA C C 13 175.106 0.300 . 1 . . . . 13 ALA C . 10128 1 110 . 1 1 13 13 ALA CA C 13 50.373 0.300 . 1 . . . . 13 ALA CA . 10128 1 111 . 1 1 13 13 ALA CB C 13 22.095 0.300 . 1 . . . . 13 ALA CB . 10128 1 112 . 1 1 13 13 ALA N N 15 123.779 0.300 . 1 . . . . 13 ALA N . 10128 1 113 . 1 1 14 14 ALA H H 1 8.446 0.030 . 1 . . . . 14 ALA H . 10128 1 114 . 1 1 14 14 ALA HA H 1 4.359 0.030 . 1 . . . . 14 ALA HA . 10128 1 115 . 1 1 14 14 ALA HB1 H 1 1.075 0.030 . 1 . . . . 14 ALA HB . 10128 1 116 . 1 1 14 14 ALA HB2 H 1 1.075 0.030 . 1 . . . . 14 ALA HB . 10128 1 117 . 1 1 14 14 ALA HB3 H 1 1.075 0.030 . 1 . . . . 14 ALA HB . 10128 1 118 . 1 1 14 14 ALA C C 13 174.651 0.300 . 1 . . . . 14 ALA C . 10128 1 119 . 1 1 14 14 ALA CA C 13 51.036 0.300 . 1 . . . . 14 ALA CA . 10128 1 120 . 1 1 14 14 ALA CB C 13 16.207 0.300 . 1 . . . . 14 ALA CB . 10128 1 121 . 1 1 14 14 ALA N N 15 122.393 0.300 . 1 . . . . 14 ALA N . 10128 1 122 . 1 1 15 15 PRO HA H 1 4.414 0.030 . 1 . . . . 15 PRO HA . 10128 1 123 . 1 1 15 15 PRO HB2 H 1 2.332 0.030 . 2 . . . . 15 PRO HB2 . 10128 1 124 . 1 1 15 15 PRO HB3 H 1 1.799 0.030 . 2 . . . . 15 PRO HB3 . 10128 1 125 . 1 1 15 15 PRO HG2 H 1 1.996 0.030 . 2 . . . . 15 PRO HG2 . 10128 1 126 . 1 1 15 15 PRO HG3 H 1 1.591 0.030 . 2 . . . . 15 PRO HG3 . 10128 1 127 . 1 1 15 15 PRO HD2 H 1 3.214 0.030 . 2 . . . . 15 PRO HD2 . 10128 1 128 . 1 1 15 15 PRO HD3 H 1 3.818 0.030 . 2 . . . . 15 PRO HD3 . 10128 1 129 . 1 1 15 15 PRO C C 13 175.571 0.300 . 1 . . . . 15 PRO C . 10128 1 130 . 1 1 15 15 PRO CA C 13 63.556 0.300 . 1 . . . . 15 PRO CA . 10128 1 131 . 1 1 15 15 PRO CB C 13 32.310 0.300 . 1 . . . . 15 PRO CB . 10128 1 132 . 1 1 15 15 PRO CG C 13 27.828 0.300 . 1 . . . . 15 PRO CG . 10128 1 133 . 1 1 15 15 PRO CD C 13 50.247 0.300 . 1 . . . . 15 PRO CD . 10128 1 134 . 1 1 16 16 ASP H H 1 8.785 0.030 . 1 . . . . 16 ASP H . 10128 1 135 . 1 1 16 16 ASP HA H 1 5.031 0.030 . 1 . . . . 16 ASP HA . 10128 1 136 . 1 1 16 16 ASP HB2 H 1 2.937 0.030 . 2 . . . . 16 ASP HB2 . 10128 1 137 . 1 1 16 16 ASP HB3 H 1 2.458 0.030 . 2 . . . . 16 ASP HB3 . 10128 1 138 . 1 1 16 16 ASP C C 13 175.382 0.300 . 1 . . . . 16 ASP C . 10128 1 139 . 1 1 16 16 ASP CA C 13 53.856 0.300 . 1 . . . . 16 ASP CA . 10128 1 140 . 1 1 16 16 ASP CB C 13 43.794 0.300 . 1 . . . . 16 ASP CB . 10128 1 141 . 1 1 16 16 ASP N N 15 119.114 0.300 . 1 . . . . 16 ASP N . 10128 1 142 . 1 1 17 17 GLY H H 1 7.108 0.030 . 1 . . . . 17 GLY H . 10128 1 143 . 1 1 17 17 GLY HA2 H 1 4.754 0.030 . 2 . . . . 17 GLY HA2 . 10128 1 144 . 1 1 17 17 GLY HA3 H 1 3.754 0.030 . 2 . . . . 17 GLY HA3 . 10128 1 145 . 1 1 17 17 GLY C C 13 170.342 0.300 . 1 . . . . 17 GLY C . 10128 1 146 . 1 1 17 17 GLY CA C 13 43.732 0.300 . 1 . . . . 17 GLY CA . 10128 1 147 . 1 1 17 17 GLY N N 15 104.464 0.300 . 1 . . . . 17 GLY N . 10128 1 148 . 1 1 18 18 PRO HA H 1 5.111 0.030 . 1 . . . . 18 PRO HA . 10128 1 149 . 1 1 18 18 PRO HB2 H 1 2.028 0.030 . 2 . . . . 18 PRO HB2 . 10128 1 150 . 1 1 18 18 PRO HB3 H 1 1.758 0.030 . 2 . . . . 18 PRO HB3 . 10128 1 151 . 1 1 18 18 PRO HG2 H 1 2.052 0.030 . 2 . . . . 18 PRO HG2 . 10128 1 152 . 1 1 18 18 PRO HG3 H 1 1.918 0.030 . 2 . . . . 18 PRO HG3 . 10128 1 153 . 1 1 18 18 PRO HD2 H 1 3.776 0.030 . 2 . . . . 18 PRO HD2 . 10128 1 154 . 1 1 18 18 PRO HD3 H 1 3.544 0.030 . 2 . . . . 18 PRO HD3 . 10128 1 155 . 1 1 18 18 PRO CA C 13 60.906 0.300 . 1 . . . . 18 PRO CA . 10128 1 156 . 1 1 18 18 PRO CB C 13 30.620 0.300 . 1 . . . . 18 PRO CB . 10128 1 157 . 1 1 18 18 PRO CG C 13 25.763 0.300 . 1 . . . . 18 PRO CG . 10128 1 158 . 1 1 18 18 PRO CD C 13 50.297 0.300 . 1 . . . . 18 PRO CD . 10128 1 159 . 1 1 19 19 PRO HA H 1 4.340 0.030 . 1 . . . . 19 PRO HA . 10128 1 160 . 1 1 19 19 PRO HB2 H 1 2.370 0.030 . 2 . . . . 19 PRO HB2 . 10128 1 161 . 1 1 19 19 PRO HB3 H 1 1.403 0.030 . 2 . . . . 19 PRO HB3 . 10128 1 162 . 1 1 19 19 PRO HG2 H 1 1.578 0.030 . 1 . . . . 19 PRO HG2 . 10128 1 163 . 1 1 19 19 PRO HG3 H 1 1.578 0.030 . 1 . . . . 19 PRO HG3 . 10128 1 164 . 1 1 19 19 PRO HD2 H 1 3.487 0.030 . 2 . . . . 19 PRO HD2 . 10128 1 165 . 1 1 19 19 PRO HD3 H 1 4.228 0.030 . 2 . . . . 19 PRO HD3 . 10128 1 166 . 1 1 19 19 PRO C C 13 174.327 0.300 . 1 . . . . 19 PRO C . 10128 1 167 . 1 1 19 19 PRO CA C 13 63.285 0.300 . 1 . . . . 19 PRO CA . 10128 1 168 . 1 1 19 19 PRO CB C 13 32.310 0.300 . 1 . . . . 19 PRO CB . 10128 1 169 . 1 1 19 19 PRO CG C 13 28.899 0.300 . 1 . . . . 19 PRO CG . 10128 1 170 . 1 1 19 19 PRO CD C 13 50.687 0.300 . 1 . . . . 19 PRO CD . 10128 1 171 . 1 1 20 20 MET H H 1 7.887 0.030 . 1 . . . . 20 MET H . 10128 1 172 . 1 1 20 20 MET HA H 1 4.700 0.030 . 1 . . . . 20 MET HA . 10128 1 173 . 1 1 20 20 MET HB2 H 1 1.974 0.030 . 2 . . . . 20 MET HB2 . 10128 1 174 . 1 1 20 20 MET HB3 H 1 1.790 0.030 . 2 . . . . 20 MET HB3 . 10128 1 175 . 1 1 20 20 MET HG2 H 1 2.729 0.030 . 2 . . . . 20 MET HG2 . 10128 1 176 . 1 1 20 20 MET HG3 H 1 2.483 0.030 . 2 . . . . 20 MET HG3 . 10128 1 177 . 1 1 20 20 MET HE1 H 1 2.129 0.030 . 1 . . . . 20 MET HE . 10128 1 178 . 1 1 20 20 MET HE2 H 1 2.129 0.030 . 1 . . . . 20 MET HE . 10128 1 179 . 1 1 20 20 MET HE3 H 1 2.129 0.030 . 1 . . . . 20 MET HE . 10128 1 180 . 1 1 20 20 MET C C 13 174.982 0.300 . 1 . . . . 20 MET C . 10128 1 181 . 1 1 20 20 MET CA C 13 54.064 0.300 . 1 . . . . 20 MET CA . 10128 1 182 . 1 1 20 20 MET CB C 13 35.915 0.300 . 1 . . . . 20 MET CB . 10128 1 183 . 1 1 20 20 MET CG C 13 32.357 0.300 . 1 . . . . 20 MET CG . 10128 1 184 . 1 1 20 20 MET CE C 13 16.500 0.300 . 1 . . . . 20 MET CE . 10128 1 185 . 1 1 20 20 MET N N 15 118.821 0.300 . 1 . . . . 20 MET N . 10128 1 186 . 1 1 21 21 ASP H H 1 8.731 0.030 . 1 . . . . 21 ASP H . 10128 1 187 . 1 1 21 21 ASP HA H 1 4.216 0.030 . 1 . . . . 21 ASP HA . 10128 1 188 . 1 1 21 21 ASP HB2 H 1 2.856 0.030 . 2 . . . . 21 ASP HB2 . 10128 1 189 . 1 1 21 21 ASP HB3 H 1 2.496 0.030 . 2 . . . . 21 ASP HB3 . 10128 1 190 . 1 1 21 21 ASP C C 13 175.231 0.300 . 1 . . . . 21 ASP C . 10128 1 191 . 1 1 21 21 ASP CA C 13 54.808 0.300 . 1 . . . . 21 ASP CA . 10128 1 192 . 1 1 21 21 ASP CB C 13 39.143 0.300 . 1 . . . . 21 ASP CB . 10128 1 193 . 1 1 21 21 ASP N N 15 117.994 0.300 . 1 . . . . 21 ASP N . 10128 1 194 . 1 1 22 22 VAL H H 1 8.212 0.030 . 1 . . . . 22 VAL H . 10128 1 195 . 1 1 22 22 VAL HA H 1 4.650 0.030 . 1 . . . . 22 VAL HA . 10128 1 196 . 1 1 22 22 VAL HB H 1 1.996 0.030 . 1 . . . . 22 VAL HB . 10128 1 197 . 1 1 22 22 VAL HG11 H 1 0.807 0.030 . 1 . . . . 22 VAL HG1 . 10128 1 198 . 1 1 22 22 VAL HG12 H 1 0.807 0.030 . 1 . . . . 22 VAL HG1 . 10128 1 199 . 1 1 22 22 VAL HG13 H 1 0.807 0.030 . 1 . . . . 22 VAL HG1 . 10128 1 200 . 1 1 22 22 VAL HG21 H 1 0.827 0.030 . 1 . . . . 22 VAL HG2 . 10128 1 201 . 1 1 22 22 VAL HG22 H 1 0.827 0.030 . 1 . . . . 22 VAL HG2 . 10128 1 202 . 1 1 22 22 VAL HG23 H 1 0.827 0.030 . 1 . . . . 22 VAL HG2 . 10128 1 203 . 1 1 22 22 VAL C C 13 177.372 0.300 . 1 . . . . 22 VAL C . 10128 1 204 . 1 1 22 22 VAL CA C 13 63.935 0.300 . 1 . . . . 22 VAL CA . 10128 1 205 . 1 1 22 22 VAL CB C 13 30.873 0.300 . 1 . . . . 22 VAL CB . 10128 1 206 . 1 1 22 22 VAL CG1 C 13 21.330 0.300 . 2 . . . . 22 VAL CG1 . 10128 1 207 . 1 1 22 22 VAL CG2 C 13 20.566 0.300 . 2 . . . . 22 VAL CG2 . 10128 1 208 . 1 1 22 22 VAL N N 15 120.094 0.300 . 1 . . . . 22 VAL N . 10128 1 209 . 1 1 23 23 THR H H 1 9.427 0.030 . 1 . . . . 23 THR H . 10128 1 210 . 1 1 23 23 THR HA H 1 4.574 0.030 . 1 . . . . 23 THR HA . 10128 1 211 . 1 1 23 23 THR HB H 1 4.102 0.030 . 1 . . . . 23 THR HB . 10128 1 212 . 1 1 23 23 THR HG21 H 1 1.158 0.030 . 1 . . . . 23 THR HG2 . 10128 1 213 . 1 1 23 23 THR HG22 H 1 1.158 0.030 . 1 . . . . 23 THR HG2 . 10128 1 214 . 1 1 23 23 THR HG23 H 1 1.158 0.030 . 1 . . . . 23 THR HG2 . 10128 1 215 . 1 1 23 23 THR C C 13 172.201 0.300 . 1 . . . . 23 THR C . 10128 1 216 . 1 1 23 23 THR CA C 13 61.722 0.300 . 1 . . . . 23 THR CA . 10128 1 217 . 1 1 23 23 THR CB C 13 72.117 0.300 . 1 . . . . 23 THR CB . 10128 1 218 . 1 1 23 23 THR CG2 C 13 20.778 0.300 . 1 . . . . 23 THR CG2 . 10128 1 219 . 1 1 23 23 THR N N 15 122.476 0.300 . 1 . . . . 23 THR N . 10128 1 220 . 1 1 24 24 LEU H H 1 8.882 0.030 . 1 . . . . 24 LEU H . 10128 1 221 . 1 1 24 24 LEU HA H 1 5.340 0.030 . 1 . . . . 24 LEU HA . 10128 1 222 . 1 1 24 24 LEU HB2 H 1 1.796 0.030 . 2 . . . . 24 LEU HB2 . 10128 1 223 . 1 1 24 24 LEU HB3 H 1 1.073 0.030 . 2 . . . . 24 LEU HB3 . 10128 1 224 . 1 1 24 24 LEU HG H 1 1.636 0.030 . 1 . . . . 24 LEU HG . 10128 1 225 . 1 1 24 24 LEU HD11 H 1 0.790 0.030 . 1 . . . . 24 LEU HD1 . 10128 1 226 . 1 1 24 24 LEU HD12 H 1 0.790 0.030 . 1 . . . . 24 LEU HD1 . 10128 1 227 . 1 1 24 24 LEU HD13 H 1 0.790 0.030 . 1 . . . . 24 LEU HD1 . 10128 1 228 . 1 1 24 24 LEU HD21 H 1 0.807 0.030 . 1 . . . . 24 LEU HD2 . 10128 1 229 . 1 1 24 24 LEU HD22 H 1 0.807 0.030 . 1 . . . . 24 LEU HD2 . 10128 1 230 . 1 1 24 24 LEU HD23 H 1 0.807 0.030 . 1 . . . . 24 LEU HD2 . 10128 1 231 . 1 1 24 24 LEU C C 13 176.856 0.300 . 1 . . . . 24 LEU C . 10128 1 232 . 1 1 24 24 LEU CA C 13 53.040 0.300 . 1 . . . . 24 LEU CA . 10128 1 233 . 1 1 24 24 LEU CB C 13 45.209 0.300 . 1 . . . . 24 LEU CB . 10128 1 234 . 1 1 24 24 LEU CG C 13 27.558 0.300 . 1 . . . . 24 LEU CG . 10128 1 235 . 1 1 24 24 LEU CD1 C 13 26.007 0.300 . 2 . . . . 24 LEU CD1 . 10128 1 236 . 1 1 24 24 LEU CD2 C 13 25.099 0.300 . 2 . . . . 24 LEU CD2 . 10128 1 237 . 1 1 24 24 LEU N N 15 122.500 0.300 . 1 . . . . 24 LEU N . 10128 1 238 . 1 1 25 25 GLN H H 1 8.908 0.030 . 1 . . . . 25 GLN H . 10128 1 239 . 1 1 25 25 GLN HA H 1 5.001 0.030 . 1 . . . . 25 GLN HA . 10128 1 240 . 1 1 25 25 GLN HB2 H 1 1.995 0.030 . 2 . . . . 25 GLN HB2 . 10128 1 241 . 1 1 25 25 GLN HB3 H 1 1.967 0.030 . 2 . . . . 25 GLN HB3 . 10128 1 242 . 1 1 25 25 GLN HG2 H 1 2.228 0.030 . 1 . . . . 25 GLN HG2 . 10128 1 243 . 1 1 25 25 GLN HG3 H 1 2.228 0.030 . 1 . . . . 25 GLN HG3 . 10128 1 244 . 1 1 25 25 GLN HE21 H 1 7.405 0.030 . 2 . . . . 25 GLN HE21 . 10128 1 245 . 1 1 25 25 GLN HE22 H 1 6.852 0.030 . 2 . . . . 25 GLN HE22 . 10128 1 246 . 1 1 25 25 GLN C C 13 173.165 0.300 . 1 . . . . 25 GLN C . 10128 1 247 . 1 1 25 25 GLN CA C 13 52.278 0.300 . 1 . . . . 25 GLN CA . 10128 1 248 . 1 1 25 25 GLN CB C 13 32.159 0.300 . 1 . . . . 25 GLN CB . 10128 1 249 . 1 1 25 25 GLN CG C 13 33.159 0.300 . 1 . . . . 25 GLN CG . 10128 1 250 . 1 1 25 25 GLN N N 15 120.137 0.300 . 1 . . . . 25 GLN N . 10128 1 251 . 1 1 25 25 GLN NE2 N 15 111.482 0.300 . 1 . . . . 25 GLN NE2 . 10128 1 252 . 1 1 26 26 PRO HA H 1 4.691 0.030 . 1 . . . . 26 PRO HA . 10128 1 253 . 1 1 26 26 PRO HB2 H 1 2.318 0.030 . 2 . . . . 26 PRO HB2 . 10128 1 254 . 1 1 26 26 PRO HB3 H 1 2.058 0.030 . 2 . . . . 26 PRO HB3 . 10128 1 255 . 1 1 26 26 PRO HG2 H 1 2.443 0.030 . 2 . . . . 26 PRO HG2 . 10128 1 256 . 1 1 26 26 PRO HG3 H 1 2.062 0.030 . 2 . . . . 26 PRO HG3 . 10128 1 257 . 1 1 26 26 PRO HD2 H 1 3.934 0.030 . 2 . . . . 26 PRO HD2 . 10128 1 258 . 1 1 26 26 PRO HD3 H 1 3.631 0.030 . 2 . . . . 26 PRO HD3 . 10128 1 259 . 1 1 26 26 PRO C C 13 175.974 0.300 . 1 . . . . 26 PRO C . 10128 1 260 . 1 1 26 26 PRO CA C 13 63.479 0.300 . 1 . . . . 26 PRO CA . 10128 1 261 . 1 1 26 26 PRO CB C 13 32.457 0.300 . 1 . . . . 26 PRO CB . 10128 1 262 . 1 1 26 26 PRO CG C 13 28.637 0.300 . 1 . . . . 26 PRO CG . 10128 1 263 . 1 1 26 26 PRO CD C 13 50.992 0.300 . 1 . . . . 26 PRO CD . 10128 1 264 . 1 1 27 27 VAL H H 1 8.199 0.030 . 1 . . . . 27 VAL H . 10128 1 265 . 1 1 27 27 VAL HA H 1 4.411 0.030 . 1 . . . . 27 VAL HA . 10128 1 266 . 1 1 27 27 VAL HB H 1 2.101 0.030 . 1 . . . . 27 VAL HB . 10128 1 267 . 1 1 27 27 VAL HG11 H 1 0.925 0.030 . 1 . . . . 27 VAL HG1 . 10128 1 268 . 1 1 27 27 VAL HG12 H 1 0.925 0.030 . 1 . . . . 27 VAL HG1 . 10128 1 269 . 1 1 27 27 VAL HG13 H 1 0.925 0.030 . 1 . . . . 27 VAL HG1 . 10128 1 270 . 1 1 27 27 VAL HG21 H 1 0.893 0.030 . 1 . . . . 27 VAL HG2 . 10128 1 271 . 1 1 27 27 VAL HG22 H 1 0.893 0.030 . 1 . . . . 27 VAL HG2 . 10128 1 272 . 1 1 27 27 VAL HG23 H 1 0.893 0.030 . 1 . . . . 27 VAL HG2 . 10128 1 273 . 1 1 27 27 VAL C C 13 176.073 0.300 . 1 . . . . 27 VAL C . 10128 1 274 . 1 1 27 27 VAL CA C 13 63.337 0.300 . 1 . . . . 27 VAL CA . 10128 1 275 . 1 1 27 27 VAL CB C 13 33.833 0.300 . 1 . . . . 27 VAL CB . 10128 1 276 . 1 1 27 27 VAL CG1 C 13 22.300 0.300 . 2 . . . . 27 VAL CG1 . 10128 1 277 . 1 1 27 27 VAL CG2 C 13 20.505 0.300 . 2 . . . . 27 VAL CG2 . 10128 1 278 . 1 1 27 27 VAL N N 15 120.427 0.300 . 1 . . . . 27 VAL N . 10128 1 279 . 1 1 28 28 THR H H 1 7.812 0.030 . 1 . . . . 28 THR H . 10128 1 280 . 1 1 28 28 THR HA H 1 4.862 0.030 . 1 . . . . 28 THR HA . 10128 1 281 . 1 1 28 28 THR HB H 1 4.700 0.030 . 1 . . . . 28 THR HB . 10128 1 282 . 1 1 28 28 THR HG21 H 1 1.196 0.030 . 1 . . . . 28 THR HG2 . 10128 1 283 . 1 1 28 28 THR HG22 H 1 1.196 0.030 . 1 . . . . 28 THR HG2 . 10128 1 284 . 1 1 28 28 THR HG23 H 1 1.196 0.030 . 1 . . . . 28 THR HG2 . 10128 1 285 . 1 1 28 28 THR C C 13 175.307 0.300 . 1 . . . . 28 THR C . 10128 1 286 . 1 1 28 28 THR CA C 13 60.302 0.300 . 1 . . . . 28 THR CA . 10128 1 287 . 1 1 28 28 THR CB C 13 73.701 0.300 . 1 . . . . 28 THR CB . 10128 1 288 . 1 1 28 28 THR CG2 C 13 21.721 0.300 . 1 . . . . 28 THR CG2 . 10128 1 289 . 1 1 28 28 THR N N 15 109.210 0.300 . 1 . . . . 28 THR N . 10128 1 290 . 1 1 29 29 SER H H 1 8.866 0.030 . 1 . . . . 29 SER H . 10128 1 291 . 1 1 29 29 SER HA H 1 4.793 0.030 . 1 . . . . 29 SER HA . 10128 1 292 . 1 1 29 29 SER HB2 H 1 3.937 0.030 . 2 . . . . 29 SER HB2 . 10128 1 293 . 1 1 29 29 SER HB3 H 1 3.739 0.030 . 2 . . . . 29 SER HB3 . 10128 1 294 . 1 1 29 29 SER C C 13 172.700 0.300 . 1 . . . . 29 SER C . 10128 1 295 . 1 1 29 29 SER CA C 13 60.280 0.300 . 1 . . . . 29 SER CA . 10128 1 296 . 1 1 29 29 SER CB C 13 63.852 0.300 . 1 . . . . 29 SER CB . 10128 1 297 . 1 1 29 29 SER N N 15 114.684 0.300 . 1 . . . . 29 SER N . 10128 1 298 . 1 1 30 30 GLN H H 1 8.096 0.030 . 1 . . . . 30 GLN H . 10128 1 299 . 1 1 30 30 GLN HA H 1 4.659 0.030 . 1 . . . . 30 GLN HA . 10128 1 300 . 1 1 30 30 GLN HB2 H 1 2.288 0.030 . 2 . . . . 30 GLN HB2 . 10128 1 301 . 1 1 30 30 GLN HB3 H 1 1.942 0.030 . 2 . . . . 30 GLN HB3 . 10128 1 302 . 1 1 30 30 GLN HG2 H 1 2.295 0.030 . 2 . . . . 30 GLN HG2 . 10128 1 303 . 1 1 30 30 GLN HG3 H 1 2.137 0.030 . 2 . . . . 30 GLN HG3 . 10128 1 304 . 1 1 30 30 GLN HE21 H 1 7.745 0.030 . 2 . . . . 30 GLN HE21 . 10128 1 305 . 1 1 30 30 GLN HE22 H 1 6.860 0.030 . 2 . . . . 30 GLN HE22 . 10128 1 306 . 1 1 30 30 GLN C C 13 174.265 0.300 . 1 . . . . 30 GLN C . 10128 1 307 . 1 1 30 30 GLN CA C 13 54.446 0.300 . 1 . . . . 30 GLN CA . 10128 1 308 . 1 1 30 30 GLN CB C 13 33.321 0.300 . 1 . . . . 30 GLN CB . 10128 1 309 . 1 1 30 30 GLN CG C 13 34.762 0.300 . 1 . . . . 30 GLN CG . 10128 1 310 . 1 1 30 30 GLN N N 15 113.187 0.300 . 1 . . . . 30 GLN N . 10128 1 311 . 1 1 30 30 GLN NE2 N 15 112.256 0.300 . 1 . . . . 30 GLN NE2 . 10128 1 312 . 1 1 31 31 SER H H 1 7.259 0.030 . 1 . . . . 31 SER H . 10128 1 313 . 1 1 31 31 SER HA H 1 5.562 0.030 . 1 . . . . 31 SER HA . 10128 1 314 . 1 1 31 31 SER HB2 H 1 3.793 0.030 . 2 . . . . 31 SER HB2 . 10128 1 315 . 1 1 31 31 SER HB3 H 1 3.530 0.030 . 2 . . . . 31 SER HB3 . 10128 1 316 . 1 1 31 31 SER C C 13 173.399 0.300 . 1 . . . . 31 SER C . 10128 1 317 . 1 1 31 31 SER CA C 13 57.118 0.300 . 1 . . . . 31 SER CA . 10128 1 318 . 1 1 31 31 SER CB C 13 66.699 0.300 . 1 . . . . 31 SER CB . 10128 1 319 . 1 1 31 31 SER N N 15 112.058 0.300 . 1 . . . . 31 SER N . 10128 1 320 . 1 1 32 32 ILE H H 1 8.352 0.030 . 1 . . . . 32 ILE H . 10128 1 321 . 1 1 32 32 ILE HA H 1 4.381 0.030 . 1 . . . . 32 ILE HA . 10128 1 322 . 1 1 32 32 ILE HB H 1 1.217 0.030 . 1 . . . . 32 ILE HB . 10128 1 323 . 1 1 32 32 ILE HG12 H 1 1.411 0.030 . 2 . . . . 32 ILE HG12 . 10128 1 324 . 1 1 32 32 ILE HG13 H 1 0.557 0.030 . 2 . . . . 32 ILE HG13 . 10128 1 325 . 1 1 32 32 ILE HG21 H 1 0.649 0.030 . 1 . . . . 32 ILE HG2 . 10128 1 326 . 1 1 32 32 ILE HG22 H 1 0.649 0.030 . 1 . . . . 32 ILE HG2 . 10128 1 327 . 1 1 32 32 ILE HG23 H 1 0.649 0.030 . 1 . . . . 32 ILE HG2 . 10128 1 328 . 1 1 32 32 ILE HD11 H 1 0.615 0.030 . 1 . . . . 32 ILE HD1 . 10128 1 329 . 1 1 32 32 ILE HD12 H 1 0.615 0.030 . 1 . . . . 32 ILE HD1 . 10128 1 330 . 1 1 32 32 ILE HD13 H 1 0.615 0.030 . 1 . . . . 32 ILE HD1 . 10128 1 331 . 1 1 32 32 ILE C C 13 173.125 0.300 . 1 . . . . 32 ILE C . 10128 1 332 . 1 1 32 32 ILE CA C 13 60.317 0.300 . 1 . . . . 32 ILE CA . 10128 1 333 . 1 1 32 32 ILE CB C 13 43.997 0.300 . 1 . . . . 32 ILE CB . 10128 1 334 . 1 1 32 32 ILE CG1 C 13 28.556 0.300 . 1 . . . . 32 ILE CG1 . 10128 1 335 . 1 1 32 32 ILE CG2 C 13 18.249 0.300 . 1 . . . . 32 ILE CG2 . 10128 1 336 . 1 1 32 32 ILE CD1 C 13 13.865 0.300 . 1 . . . . 32 ILE CD1 . 10128 1 337 . 1 1 32 32 ILE N N 15 121.315 0.300 . 1 . . . . 32 ILE N . 10128 1 338 . 1 1 33 33 GLN H H 1 9.068 0.030 . 1 . . . . 33 GLN H . 10128 1 339 . 1 1 33 33 GLN HA H 1 4.759 0.030 . 1 . . . . 33 GLN HA . 10128 1 340 . 1 1 33 33 GLN HB2 H 1 2.078 0.030 . 2 . . . . 33 GLN HB2 . 10128 1 341 . 1 1 33 33 GLN HB3 H 1 1.934 0.030 . 2 . . . . 33 GLN HB3 . 10128 1 342 . 1 1 33 33 GLN HG2 H 1 1.995 0.030 . 1 . . . . 33 GLN HG2 . 10128 1 343 . 1 1 33 33 GLN HG3 H 1 1.995 0.030 . 1 . . . . 33 GLN HG3 . 10128 1 344 . 1 1 33 33 GLN HE21 H 1 7.144 0.030 . 2 . . . . 33 GLN HE21 . 10128 1 345 . 1 1 33 33 GLN HE22 H 1 6.782 0.030 . 2 . . . . 33 GLN HE22 . 10128 1 346 . 1 1 33 33 GLN C C 13 173.924 0.300 . 1 . . . . 33 GLN C . 10128 1 347 . 1 1 33 33 GLN CA C 13 55.841 0.300 . 1 . . . . 33 GLN CA . 10128 1 348 . 1 1 33 33 GLN CB C 13 31.999 0.300 . 1 . . . . 33 GLN CB . 10128 1 349 . 1 1 33 33 GLN CG C 13 35.400 0.300 . 1 . . . . 33 GLN CG . 10128 1 350 . 1 1 33 33 GLN N N 15 127.746 0.300 . 1 . . . . 33 GLN N . 10128 1 351 . 1 1 33 33 GLN NE2 N 15 110.920 0.300 . 1 . . . . 33 GLN NE2 . 10128 1 352 . 1 1 34 34 VAL H H 1 9.747 0.030 . 1 . . . . 34 VAL H . 10128 1 353 . 1 1 34 34 VAL HA H 1 5.042 0.030 . 1 . . . . 34 VAL HA . 10128 1 354 . 1 1 34 34 VAL HB H 1 2.442 0.030 . 1 . . . . 34 VAL HB . 10128 1 355 . 1 1 34 34 VAL HG11 H 1 0.925 0.030 . 1 . . . . 34 VAL HG1 . 10128 1 356 . 1 1 34 34 VAL HG12 H 1 0.925 0.030 . 1 . . . . 34 VAL HG1 . 10128 1 357 . 1 1 34 34 VAL HG13 H 1 0.925 0.030 . 1 . . . . 34 VAL HG1 . 10128 1 358 . 1 1 34 34 VAL HG21 H 1 0.984 0.030 . 1 . . . . 34 VAL HG2 . 10128 1 359 . 1 1 34 34 VAL HG22 H 1 0.984 0.030 . 1 . . . . 34 VAL HG2 . 10128 1 360 . 1 1 34 34 VAL HG23 H 1 0.984 0.030 . 1 . . . . 34 VAL HG2 . 10128 1 361 . 1 1 34 34 VAL C C 13 174.899 0.300 . 1 . . . . 34 VAL C . 10128 1 362 . 1 1 34 34 VAL CA C 13 60.602 0.300 . 1 . . . . 34 VAL CA . 10128 1 363 . 1 1 34 34 VAL CB C 13 33.801 0.300 . 1 . . . . 34 VAL CB . 10128 1 364 . 1 1 34 34 VAL CG1 C 13 21.198 0.300 . 2 . . . . 34 VAL CG1 . 10128 1 365 . 1 1 34 34 VAL CG2 C 13 21.628 0.300 . 2 . . . . 34 VAL CG2 . 10128 1 366 . 1 1 34 34 VAL N N 15 132.346 0.300 . 1 . . . . 34 VAL N . 10128 1 367 . 1 1 35 35 THR H H 1 9.061 0.030 . 1 . . . . 35 THR H . 10128 1 368 . 1 1 35 35 THR HA H 1 5.321 0.030 . 1 . . . . 35 THR HA . 10128 1 369 . 1 1 35 35 THR HB H 1 4.188 0.030 . 1 . . . . 35 THR HB . 10128 1 370 . 1 1 35 35 THR HG21 H 1 1.160 0.030 . 1 . . . . 35 THR HG2 . 10128 1 371 . 1 1 35 35 THR HG22 H 1 1.160 0.030 . 1 . . . . 35 THR HG2 . 10128 1 372 . 1 1 35 35 THR HG23 H 1 1.160 0.030 . 1 . . . . 35 THR HG2 . 10128 1 373 . 1 1 35 35 THR C C 13 173.291 0.300 . 1 . . . . 35 THR C . 10128 1 374 . 1 1 35 35 THR CA C 13 60.070 0.300 . 1 . . . . 35 THR CA . 10128 1 375 . 1 1 35 35 THR CB C 13 71.677 0.300 . 1 . . . . 35 THR CB . 10128 1 376 . 1 1 35 35 THR CG2 C 13 21.782 0.300 . 1 . . . . 35 THR CG2 . 10128 1 377 . 1 1 35 35 THR N N 15 117.989 0.300 . 1 . . . . 35 THR N . 10128 1 378 . 1 1 36 36 TRP H H 1 7.809 0.030 . 1 . . . . 36 TRP H . 10128 1 379 . 1 1 36 36 TRP HA H 1 4.901 0.030 . 1 . . . . 36 TRP HA . 10128 1 380 . 1 1 36 36 TRP HB2 H 1 3.537 0.030 . 2 . . . . 36 TRP HB2 . 10128 1 381 . 1 1 36 36 TRP HB3 H 1 2.906 0.030 . 2 . . . . 36 TRP HB3 . 10128 1 382 . 1 1 36 36 TRP HD1 H 1 6.541 0.030 . 1 . . . . 36 TRP HD1 . 10128 1 383 . 1 1 36 36 TRP HE1 H 1 5.213 0.030 . 1 . . . . 36 TRP HE1 . 10128 1 384 . 1 1 36 36 TRP HE3 H 1 6.908 0.030 . 1 . . . . 36 TRP HE3 . 10128 1 385 . 1 1 36 36 TRP HZ2 H 1 6.693 0.030 . 1 . . . . 36 TRP HZ2 . 10128 1 386 . 1 1 36 36 TRP HH2 H 1 6.805 0.030 . 1 . . . . 36 TRP HH2 . 10128 1 387 . 1 1 36 36 TRP C C 13 172.505 0.300 . 1 . . . . 36 TRP C . 10128 1 388 . 1 1 36 36 TRP CA C 13 57.606 0.300 . 1 . . . . 36 TRP CA . 10128 1 389 . 1 1 36 36 TRP CB C 13 31.550 0.300 . 1 . . . . 36 TRP CB . 10128 1 390 . 1 1 36 36 TRP CD1 C 13 125.495 0.300 . 1 . . . . 36 TRP CD1 . 10128 1 391 . 1 1 36 36 TRP CE3 C 13 121.270 0.300 . 1 . . . . 36 TRP CE3 . 10128 1 392 . 1 1 36 36 TRP CZ2 C 13 113.405 0.300 . 1 . . . . 36 TRP CZ2 . 10128 1 393 . 1 1 36 36 TRP CZ3 C 13 120.791 0.300 . 1 . . . . 36 TRP CZ3 . 10128 1 394 . 1 1 36 36 TRP CH2 C 13 124.454 0.300 . 1 . . . . 36 TRP CH2 . 10128 1 395 . 1 1 36 36 TRP N N 15 117.377 0.300 . 1 . . . . 36 TRP N . 10128 1 396 . 1 1 36 36 TRP NE1 N 15 122.711 0.300 . 1 . . . . 36 TRP NE1 . 10128 1 397 . 1 1 37 37 LYS H H 1 9.056 0.030 . 1 . . . . 37 LYS H . 10128 1 398 . 1 1 37 37 LYS HA H 1 4.860 0.030 . 1 . . . . 37 LYS HA . 10128 1 399 . 1 1 37 37 LYS HB2 H 1 2.094 0.030 . 2 . . . . 37 LYS HB2 . 10128 1 400 . 1 1 37 37 LYS HB3 H 1 1.547 0.030 . 2 . . . . 37 LYS HB3 . 10128 1 401 . 1 1 37 37 LYS HG2 H 1 1.526 0.030 . 2 . . . . 37 LYS HG2 . 10128 1 402 . 1 1 37 37 LYS HG3 H 1 1.409 0.030 . 2 . . . . 37 LYS HG3 . 10128 1 403 . 1 1 37 37 LYS HD2 H 1 1.743 0.030 . 2 . . . . 37 LYS HD2 . 10128 1 404 . 1 1 37 37 LYS HD3 H 1 1.625 0.030 . 2 . . . . 37 LYS HD3 . 10128 1 405 . 1 1 37 37 LYS HE2 H 1 3.017 0.030 . 2 . . . . 37 LYS HE2 . 10128 1 406 . 1 1 37 37 LYS HE3 H 1 2.944 0.030 . 2 . . . . 37 LYS HE3 . 10128 1 407 . 1 1 37 37 LYS C C 13 176.040 0.300 . 1 . . . . 37 LYS C . 10128 1 408 . 1 1 37 37 LYS CA C 13 54.045 0.300 . 1 . . . . 37 LYS CA . 10128 1 409 . 1 1 37 37 LYS CB C 13 36.464 0.300 . 1 . . . . 37 LYS CB . 10128 1 410 . 1 1 37 37 LYS CG C 13 25.764 0.300 . 1 . . . . 37 LYS CG . 10128 1 411 . 1 1 37 37 LYS CD C 13 29.420 0.300 . 1 . . . . 37 LYS CD . 10128 1 412 . 1 1 37 37 LYS CE C 13 42.430 0.300 . 1 . . . . 37 LYS CE . 10128 1 413 . 1 1 37 37 LYS N N 15 117.272 0.300 . 1 . . . . 37 LYS N . 10128 1 414 . 1 1 38 38 ALA H H 1 7.780 0.030 . 1 . . . . 38 ALA H . 10128 1 415 . 1 1 38 38 ALA HA H 1 4.969 0.030 . 1 . . . . 38 ALA HA . 10128 1 416 . 1 1 38 38 ALA HB1 H 1 1.396 0.030 . 1 . . . . 38 ALA HB . 10128 1 417 . 1 1 38 38 ALA HB2 H 1 1.396 0.030 . 1 . . . . 38 ALA HB . 10128 1 418 . 1 1 38 38 ALA HB3 H 1 1.396 0.030 . 1 . . . . 38 ALA HB . 10128 1 419 . 1 1 38 38 ALA C C 13 174.288 0.300 . 1 . . . . 38 ALA C . 10128 1 420 . 1 1 38 38 ALA CA C 13 51.172 0.300 . 1 . . . . 38 ALA CA . 10128 1 421 . 1 1 38 38 ALA CB C 13 17.227 0.300 . 1 . . . . 38 ALA CB . 10128 1 422 . 1 1 38 38 ALA N N 15 122.637 0.300 . 1 . . . . 38 ALA N . 10128 1 423 . 1 1 39 39 PRO HA H 1 4.584 0.030 . 1 . . . . 39 PRO HA . 10128 1 424 . 1 1 39 39 PRO HB2 H 1 2.087 0.030 . 2 . . . . 39 PRO HB2 . 10128 1 425 . 1 1 39 39 PRO HB3 H 1 1.439 0.030 . 2 . . . . 39 PRO HB3 . 10128 1 426 . 1 1 39 39 PRO HG2 H 1 1.668 0.030 . 1 . . . . 39 PRO HG2 . 10128 1 427 . 1 1 39 39 PRO HG3 H 1 1.668 0.030 . 1 . . . . 39 PRO HG3 . 10128 1 428 . 1 1 39 39 PRO HD2 H 1 4.104 0.030 . 2 . . . . 39 PRO HD2 . 10128 1 429 . 1 1 39 39 PRO HD3 H 1 3.486 0.030 . 2 . . . . 39 PRO HD3 . 10128 1 430 . 1 1 39 39 PRO C C 13 175.504 0.300 . 1 . . . . 39 PRO C . 10128 1 431 . 1 1 39 39 PRO CA C 13 61.854 0.300 . 1 . . . . 39 PRO CA . 10128 1 432 . 1 1 39 39 PRO CB C 13 31.559 0.300 . 1 . . . . 39 PRO CB . 10128 1 433 . 1 1 39 39 PRO CG C 13 28.610 0.300 . 1 . . . . 39 PRO CG . 10128 1 434 . 1 1 39 39 PRO CD C 13 50.396 0.300 . 1 . . . . 39 PRO CD . 10128 1 435 . 1 1 40 40 LYS H H 1 8.906 0.030 . 1 . . . . 40 LYS H . 10128 1 436 . 1 1 40 40 LYS HA H 1 3.996 0.030 . 1 . . . . 40 LYS HA . 10128 1 437 . 1 1 40 40 LYS HB2 H 1 1.834 0.030 . 2 . . . . 40 LYS HB2 . 10128 1 438 . 1 1 40 40 LYS HB3 H 1 1.660 0.030 . 2 . . . . 40 LYS HB3 . 10128 1 439 . 1 1 40 40 LYS HG2 H 1 1.699 0.030 . 2 . . . . 40 LYS HG2 . 10128 1 440 . 1 1 40 40 LYS HG3 H 1 1.576 0.030 . 2 . . . . 40 LYS HG3 . 10128 1 441 . 1 1 40 40 LYS HD2 H 1 1.741 0.030 . 1 . . . . 40 LYS HD2 . 10128 1 442 . 1 1 40 40 LYS HD3 H 1 1.741 0.030 . 1 . . . . 40 LYS HD3 . 10128 1 443 . 1 1 40 40 LYS HE2 H 1 3.058 0.030 . 1 . . . . 40 LYS HE2 . 10128 1 444 . 1 1 40 40 LYS HE3 H 1 3.058 0.030 . 1 . . . . 40 LYS HE3 . 10128 1 445 . 1 1 40 40 LYS C C 13 178.846 0.300 . 1 . . . . 40 LYS C . 10128 1 446 . 1 1 40 40 LYS CA C 13 57.519 0.300 . 1 . . . . 40 LYS CA . 10128 1 447 . 1 1 40 40 LYS CB C 13 32.844 0.300 . 1 . . . . 40 LYS CB . 10128 1 448 . 1 1 40 40 LYS CG C 13 25.306 0.300 . 1 . . . . 40 LYS CG . 10128 1 449 . 1 1 40 40 LYS CD C 13 29.472 0.300 . 1 . . . . 40 LYS CD . 10128 1 450 . 1 1 40 40 LYS CE C 13 42.125 0.300 . 1 . . . . 40 LYS CE . 10128 1 451 . 1 1 40 40 LYS N N 15 123.431 0.300 . 1 . . . . 40 LYS N . 10128 1 452 . 1 1 41 41 LYS H H 1 8.608 0.030 . 1 . . . . 41 LYS H . 10128 1 453 . 1 1 41 41 LYS HA H 1 3.799 0.030 . 1 . . . . 41 LYS HA . 10128 1 454 . 1 1 41 41 LYS HB2 H 1 1.888 0.030 . 2 . . . . 41 LYS HB2 . 10128 1 455 . 1 1 41 41 LYS HB3 H 1 1.821 0.030 . 2 . . . . 41 LYS HB3 . 10128 1 456 . 1 1 41 41 LYS HG2 H 1 1.463 0.030 . 1 . . . . 41 LYS HG2 . 10128 1 457 . 1 1 41 41 LYS HG3 H 1 1.463 0.030 . 1 . . . . 41 LYS HG3 . 10128 1 458 . 1 1 41 41 LYS HD2 H 1 1.703 0.030 . 2 . . . . 41 LYS HD2 . 10128 1 459 . 1 1 41 41 LYS HD3 H 1 1.668 0.030 . 2 . . . . 41 LYS HD3 . 10128 1 460 . 1 1 41 41 LYS HE2 H 1 2.990 0.030 . 1 . . . . 41 LYS HE2 . 10128 1 461 . 1 1 41 41 LYS HE3 H 1 2.990 0.030 . 1 . . . . 41 LYS HE3 . 10128 1 462 . 1 1 41 41 LYS C C 13 178.938 0.300 . 1 . . . . 41 LYS C . 10128 1 463 . 1 1 41 41 LYS CA C 13 60.084 0.300 . 1 . . . . 41 LYS CA . 10128 1 464 . 1 1 41 41 LYS CB C 13 32.489 0.300 . 1 . . . . 41 LYS CB . 10128 1 465 . 1 1 41 41 LYS CG C 13 24.584 0.300 . 1 . . . . 41 LYS CG . 10128 1 466 . 1 1 41 41 LYS CD C 13 28.842 0.300 . 1 . . . . 41 LYS CD . 10128 1 467 . 1 1 41 41 LYS CE C 13 42.238 0.300 . 1 . . . . 41 LYS CE . 10128 1 468 . 1 1 41 41 LYS N N 15 125.365 0.300 . 1 . . . . 41 LYS N . 10128 1 469 . 1 1 42 42 GLU H H 1 9.723 0.030 . 1 . . . . 42 GLU H . 10128 1 470 . 1 1 42 42 GLU HA H 1 4.214 0.030 . 1 . . . . 42 GLU HA . 10128 1 471 . 1 1 42 42 GLU HB2 H 1 2.094 0.030 . 2 . . . . 42 GLU HB2 . 10128 1 472 . 1 1 42 42 GLU HB3 H 1 2.027 0.030 . 2 . . . . 42 GLU HB3 . 10128 1 473 . 1 1 42 42 GLU HG2 H 1 2.340 0.030 . 2 . . . . 42 GLU HG2 . 10128 1 474 . 1 1 42 42 GLU HG3 H 1 2.270 0.030 . 2 . . . . 42 GLU HG3 . 10128 1 475 . 1 1 42 42 GLU C C 13 176.273 0.300 . 1 . . . . 42 GLU C . 10128 1 476 . 1 1 42 42 GLU CA C 13 58.722 0.300 . 1 . . . . 42 GLU CA . 10128 1 477 . 1 1 42 42 GLU CB C 13 28.632 0.300 . 1 . . . . 42 GLU CB . 10128 1 478 . 1 1 42 42 GLU CG C 13 36.307 0.300 . 1 . . . . 42 GLU CG . 10128 1 479 . 1 1 42 42 GLU N N 15 117.626 0.300 . 1 . . . . 42 GLU N . 10128 1 480 . 1 1 43 43 LEU H H 1 8.010 0.030 . 1 . . . . 43 LEU H . 10128 1 481 . 1 1 43 43 LEU HA H 1 4.651 0.030 . 1 . . . . 43 LEU HA . 10128 1 482 . 1 1 43 43 LEU HB2 H 1 1.675 0.030 . 2 . . . . 43 LEU HB2 . 10128 1 483 . 1 1 43 43 LEU HB3 H 1 1.439 0.030 . 2 . . . . 43 LEU HB3 . 10128 1 484 . 1 1 43 43 LEU HG H 1 1.427 0.030 . 1 . . . . 43 LEU HG . 10128 1 485 . 1 1 43 43 LEU HD11 H 1 0.971 0.030 . 1 . . . . 43 LEU HD1 . 10128 1 486 . 1 1 43 43 LEU HD12 H 1 0.971 0.030 . 1 . . . . 43 LEU HD1 . 10128 1 487 . 1 1 43 43 LEU HD13 H 1 0.971 0.030 . 1 . . . . 43 LEU HD1 . 10128 1 488 . 1 1 43 43 LEU HD21 H 1 0.847 0.030 . 1 . . . . 43 LEU HD2 . 10128 1 489 . 1 1 43 43 LEU HD22 H 1 0.847 0.030 . 1 . . . . 43 LEU HD2 . 10128 1 490 . 1 1 43 43 LEU HD23 H 1 0.847 0.030 . 1 . . . . 43 LEU HD2 . 10128 1 491 . 1 1 43 43 LEU C C 13 177.214 0.300 . 1 . . . . 43 LEU C . 10128 1 492 . 1 1 43 43 LEU CA C 13 53.856 0.300 . 1 . . . . 43 LEU CA . 10128 1 493 . 1 1 43 43 LEU CB C 13 41.892 0.300 . 1 . . . . 43 LEU CB . 10128 1 494 . 1 1 43 43 LEU CG C 13 27.032 0.300 . 1 . . . . 43 LEU CG . 10128 1 495 . 1 1 43 43 LEU CD1 C 13 25.994 0.300 . 2 . . . . 43 LEU CD1 . 10128 1 496 . 1 1 43 43 LEU CD2 C 13 22.277 0.300 . 2 . . . . 43 LEU CD2 . 10128 1 497 . 1 1 43 43 LEU N N 15 117.294 0.300 . 1 . . . . 43 LEU N . 10128 1 498 . 1 1 44 44 GLN H H 1 7.513 0.030 . 1 . . . . 44 GLN H . 10128 1 499 . 1 1 44 44 GLN HA H 1 3.651 0.030 . 1 . . . . 44 GLN HA . 10128 1 500 . 1 1 44 44 GLN HB2 H 1 2.404 0.030 . 2 . . . . 44 GLN HB2 . 10128 1 501 . 1 1 44 44 GLN HB3 H 1 2.071 0.030 . 2 . . . . 44 GLN HB3 . 10128 1 502 . 1 1 44 44 GLN HG2 H 1 2.928 0.030 . 2 . . . . 44 GLN HG2 . 10128 1 503 . 1 1 44 44 GLN HG3 H 1 1.843 0.030 . 2 . . . . 44 GLN HG3 . 10128 1 504 . 1 1 44 44 GLN HE21 H 1 7.739 0.030 . 2 . . . . 44 GLN HE21 . 10128 1 505 . 1 1 44 44 GLN HE22 H 1 7.294 0.030 . 2 . . . . 44 GLN HE22 . 10128 1 506 . 1 1 44 44 GLN C C 13 175.265 0.300 . 1 . . . . 44 GLN C . 10128 1 507 . 1 1 44 44 GLN CA C 13 60.288 0.300 . 1 . . . . 44 GLN CA . 10128 1 508 . 1 1 44 44 GLN CB C 13 28.036 0.300 . 1 . . . . 44 GLN CB . 10128 1 509 . 1 1 44 44 GLN CG C 13 35.291 0.300 . 1 . . . . 44 GLN CG . 10128 1 510 . 1 1 44 44 GLN N N 15 119.617 0.300 . 1 . . . . 44 GLN N . 10128 1 511 . 1 1 44 44 GLN NE2 N 15 109.927 0.300 . 1 . . . . 44 GLN NE2 . 10128 1 512 . 1 1 45 45 ASN H H 1 8.277 0.030 . 1 . . . . 45 ASN H . 10128 1 513 . 1 1 45 45 ASN HA H 1 4.279 0.030 . 1 . . . . 45 ASN HA . 10128 1 514 . 1 1 45 45 ASN HB2 H 1 2.836 0.030 . 2 . . . . 45 ASN HB2 . 10128 1 515 . 1 1 45 45 ASN HB3 H 1 2.791 0.030 . 2 . . . . 45 ASN HB3 . 10128 1 516 . 1 1 45 45 ASN HD21 H 1 7.479 0.030 . 2 . . . . 45 ASN HD21 . 10128 1 517 . 1 1 45 45 ASN HD22 H 1 6.827 0.030 . 2 . . . . 45 ASN HD22 . 10128 1 518 . 1 1 45 45 ASN C C 13 173.341 0.300 . 1 . . . . 45 ASN C . 10128 1 519 . 1 1 45 45 ASN CA C 13 54.064 0.300 . 1 . . . . 45 ASN CA . 10128 1 520 . 1 1 45 45 ASN CB C 13 37.238 0.300 . 1 . . . . 45 ASN CB . 10128 1 521 . 1 1 45 45 ASN N N 15 109.323 0.300 . 1 . . . . 45 ASN N . 10128 1 522 . 1 1 45 45 ASN ND2 N 15 114.442 0.300 . 1 . . . . 45 ASN ND2 . 10128 1 523 . 1 1 46 46 GLY H H 1 7.433 0.030 . 1 . . . . 46 GLY H . 10128 1 524 . 1 1 46 46 GLY HA2 H 1 4.158 0.030 . 2 . . . . 46 GLY HA2 . 10128 1 525 . 1 1 46 46 GLY HA3 H 1 3.838 0.030 . 2 . . . . 46 GLY HA3 . 10128 1 526 . 1 1 46 46 GLY C C 13 172.625 0.300 . 1 . . . . 46 GLY C . 10128 1 527 . 1 1 46 46 GLY CA C 13 44.503 0.300 . 1 . . . . 46 GLY CA . 10128 1 528 . 1 1 46 46 GLY N N 15 105.272 0.300 . 1 . . . . 46 GLY N . 10128 1 529 . 1 1 47 47 VAL H H 1 8.088 0.030 . 1 . . . . 47 VAL H . 10128 1 530 . 1 1 47 47 VAL HA H 1 3.918 0.030 . 1 . . . . 47 VAL HA . 10128 1 531 . 1 1 47 47 VAL HB H 1 1.927 0.030 . 1 . . . . 47 VAL HB . 10128 1 532 . 1 1 47 47 VAL HG11 H 1 0.980 0.030 . 1 . . . . 47 VAL HG1 . 10128 1 533 . 1 1 47 47 VAL HG12 H 1 0.980 0.030 . 1 . . . . 47 VAL HG1 . 10128 1 534 . 1 1 47 47 VAL HG13 H 1 0.980 0.030 . 1 . . . . 47 VAL HG1 . 10128 1 535 . 1 1 47 47 VAL HG21 H 1 0.796 0.030 . 1 . . . . 47 VAL HG2 . 10128 1 536 . 1 1 47 47 VAL HG22 H 1 0.796 0.030 . 1 . . . . 47 VAL HG2 . 10128 1 537 . 1 1 47 47 VAL HG23 H 1 0.796 0.030 . 1 . . . . 47 VAL HG2 . 10128 1 538 . 1 1 47 47 VAL C C 13 176.481 0.300 . 1 . . . . 47 VAL C . 10128 1 539 . 1 1 47 47 VAL CA C 13 62.829 0.300 . 1 . . . . 47 VAL CA . 10128 1 540 . 1 1 47 47 VAL CB C 13 32.859 0.300 . 1 . . . . 47 VAL CB . 10128 1 541 . 1 1 47 47 VAL CG1 C 13 21.622 0.300 . 2 . . . . 47 VAL CG1 . 10128 1 542 . 1 1 47 47 VAL CG2 C 13 20.683 0.300 . 2 . . . . 47 VAL CG2 . 10128 1 543 . 1 1 47 47 VAL N N 15 119.997 0.300 . 1 . . . . 47 VAL N . 10128 1 544 . 1 1 48 48 ILE H H 1 8.743 0.030 . 1 . . . . 48 ILE H . 10128 1 545 . 1 1 48 48 ILE HA H 1 3.717 0.030 . 1 . . . . 48 ILE HA . 10128 1 546 . 1 1 48 48 ILE HB H 1 2.003 0.030 . 1 . . . . 48 ILE HB . 10128 1 547 . 1 1 48 48 ILE HG12 H 1 1.636 0.030 . 2 . . . . 48 ILE HG12 . 10128 1 548 . 1 1 48 48 ILE HG13 H 1 1.200 0.030 . 2 . . . . 48 ILE HG13 . 10128 1 549 . 1 1 48 48 ILE HG21 H 1 0.568 0.030 . 1 . . . . 48 ILE HG2 . 10128 1 550 . 1 1 48 48 ILE HG22 H 1 0.568 0.030 . 1 . . . . 48 ILE HG2 . 10128 1 551 . 1 1 48 48 ILE HG23 H 1 0.568 0.030 . 1 . . . . 48 ILE HG2 . 10128 1 552 . 1 1 48 48 ILE HD11 H 1 0.643 0.030 . 1 . . . . 48 ILE HD1 . 10128 1 553 . 1 1 48 48 ILE HD12 H 1 0.643 0.030 . 1 . . . . 48 ILE HD1 . 10128 1 554 . 1 1 48 48 ILE HD13 H 1 0.643 0.030 . 1 . . . . 48 ILE HD1 . 10128 1 555 . 1 1 48 48 ILE C C 13 176.082 0.300 . 1 . . . . 48 ILE C . 10128 1 556 . 1 1 48 48 ILE CA C 13 59.694 0.300 . 1 . . . . 48 ILE CA . 10128 1 557 . 1 1 48 48 ILE CB C 13 35.392 0.300 . 1 . . . . 48 ILE CB . 10128 1 558 . 1 1 48 48 ILE CG1 C 13 26.507 0.300 . 1 . . . . 48 ILE CG1 . 10128 1 559 . 1 1 48 48 ILE CG2 C 13 17.787 0.300 . 1 . . . . 48 ILE CG2 . 10128 1 560 . 1 1 48 48 ILE CD1 C 13 10.148 0.300 . 1 . . . . 48 ILE CD1 . 10128 1 561 . 1 1 48 48 ILE N N 15 126.998 0.300 . 1 . . . . 48 ILE N . 10128 1 562 . 1 1 49 49 ARG H H 1 8.437 0.030 . 1 . . . . 49 ARG H . 10128 1 563 . 1 1 49 49 ARG HA H 1 4.393 0.030 . 1 . . . . 49 ARG HA . 10128 1 564 . 1 1 49 49 ARG HB2 H 1 1.933 0.030 . 2 . . . . 49 ARG HB2 . 10128 1 565 . 1 1 49 49 ARG HB3 H 1 1.480 0.030 . 2 . . . . 49 ARG HB3 . 10128 1 566 . 1 1 49 49 ARG HG2 H 1 1.777 0.030 . 1 . . . . 49 ARG HG2 . 10128 1 567 . 1 1 49 49 ARG HG3 H 1 1.777 0.030 . 1 . . . . 49 ARG HG3 . 10128 1 568 . 1 1 49 49 ARG HD2 H 1 3.119 0.030 . 1 . . . . 49 ARG HD2 . 10128 1 569 . 1 1 49 49 ARG HD3 H 1 3.119 0.030 . 1 . . . . 49 ARG HD3 . 10128 1 570 . 1 1 49 49 ARG HE H 1 7.834 0.030 . 1 . . . . 49 ARG HE . 10128 1 571 . 1 1 49 49 ARG C C 13 177.514 0.300 . 1 . . . . 49 ARG C . 10128 1 572 . 1 1 49 49 ARG CA C 13 55.094 0.300 . 1 . . . . 49 ARG CA . 10128 1 573 . 1 1 49 49 ARG CB C 13 31.627 0.300 . 1 . . . . 49 ARG CB . 10128 1 574 . 1 1 49 49 ARG CG C 13 26.865 0.300 . 1 . . . . 49 ARG CG . 10128 1 575 . 1 1 49 49 ARG CD C 13 42.846 0.300 . 1 . . . . 49 ARG CD . 10128 1 576 . 1 1 49 49 ARG N N 15 125.479 0.300 . 1 . . . . 49 ARG N . 10128 1 577 . 1 1 49 49 ARG NE N 15 84.052 0.300 . 1 . . . . 49 ARG NE . 10128 1 578 . 1 1 50 50 GLY H H 1 6.872 0.030 . 1 . . . . 50 GLY H . 10128 1 579 . 1 1 50 50 GLY HA2 H 1 3.818 0.030 . 2 . . . . 50 GLY HA2 . 10128 1 580 . 1 1 50 50 GLY HA3 H 1 3.745 0.030 . 2 . . . . 50 GLY HA3 . 10128 1 581 . 1 1 50 50 GLY C C 13 168.203 0.300 . 1 . . . . 50 GLY C . 10128 1 582 . 1 1 50 50 GLY CA C 13 45.900 0.300 . 1 . . . . 50 GLY CA . 10128 1 583 . 1 1 50 50 GLY N N 15 108.095 0.300 . 1 . . . . 50 GLY N . 10128 1 584 . 1 1 51 51 TYR H H 1 8.620 0.030 . 1 . . . . 51 TYR H . 10128 1 585 . 1 1 51 51 TYR HA H 1 5.289 0.030 . 1 . . . . 51 TYR HA . 10128 1 586 . 1 1 51 51 TYR HB2 H 1 2.569 0.030 . 1 . . . . 51 TYR HB2 . 10128 1 587 . 1 1 51 51 TYR HB3 H 1 2.569 0.030 . 1 . . . . 51 TYR HB3 . 10128 1 588 . 1 1 51 51 TYR HD1 H 1 7.100 0.030 . 3 . . . . 51 TYR HD1 . 10128 1 589 . 1 1 51 51 TYR HD2 H 1 6.657 0.030 . 3 . . . . 51 TYR HD2 . 10128 1 590 . 1 1 51 51 TYR HE1 H 1 6.602 0.030 . 3 . . . . 51 TYR HE1 . 10128 1 591 . 1 1 51 51 TYR HE2 H 1 7.040 0.030 . 3 . . . . 51 TYR HE2 . 10128 1 592 . 1 1 51 51 TYR C C 13 174.715 0.300 . 1 . . . . 51 TYR C . 10128 1 593 . 1 1 51 51 TYR CA C 13 55.943 0.300 . 1 . . . . 51 TYR CA . 10128 1 594 . 1 1 51 51 TYR CB C 13 42.826 0.300 . 1 . . . . 51 TYR CB . 10128 1 595 . 1 1 51 51 TYR CD1 C 13 133.707 0.300 . 1 . . . . 51 TYR CD1 . 10128 1 596 . 1 1 51 51 TYR CD2 C 13 133.707 0.300 . 1 . . . . 51 TYR CD2 . 10128 1 597 . 1 1 51 51 TYR CE1 C 13 117.351 0.300 . 1 . . . . 51 TYR CE1 . 10128 1 598 . 1 1 51 51 TYR CE2 C 13 117.351 0.300 . 1 . . . . 51 TYR CE2 . 10128 1 599 . 1 1 51 51 TYR N N 15 113.063 0.300 . 1 . . . . 51 TYR N . 10128 1 600 . 1 1 52 52 GLN H H 1 9.206 0.030 . 1 . . . . 52 GLN H . 10128 1 601 . 1 1 52 52 GLN HA H 1 5.213 0.030 . 1 . . . . 52 GLN HA . 10128 1 602 . 1 1 52 52 GLN HB2 H 1 1.922 0.030 . 2 . . . . 52 GLN HB2 . 10128 1 603 . 1 1 52 52 GLN HB3 H 1 1.785 0.030 . 2 . . . . 52 GLN HB3 . 10128 1 604 . 1 1 52 52 GLN HG2 H 1 2.258 0.030 . 2 . . . . 52 GLN HG2 . 10128 1 605 . 1 1 52 52 GLN HG3 H 1 2.152 0.030 . 2 . . . . 52 GLN HG3 . 10128 1 606 . 1 1 52 52 GLN HE21 H 1 7.177 0.030 . 2 . . . . 52 GLN HE21 . 10128 1 607 . 1 1 52 52 GLN HE22 H 1 6.473 0.030 . 2 . . . . 52 GLN HE22 . 10128 1 608 . 1 1 52 52 GLN C C 13 174.732 0.300 . 1 . . . . 52 GLN C . 10128 1 609 . 1 1 52 52 GLN CA C 13 54.233 0.300 . 1 . . . . 52 GLN CA . 10128 1 610 . 1 1 52 52 GLN CB C 13 30.928 0.300 . 1 . . . . 52 GLN CB . 10128 1 611 . 1 1 52 52 GLN CG C 13 34.222 0.300 . 1 . . . . 52 GLN CG . 10128 1 612 . 1 1 52 52 GLN N N 15 118.972 0.300 . 1 . . . . 52 GLN N . 10128 1 613 . 1 1 52 52 GLN NE2 N 15 109.960 0.300 . 1 . . . . 52 GLN NE2 . 10128 1 614 . 1 1 53 53 ILE H H 1 9.297 0.030 . 1 . . . . 53 ILE H . 10128 1 615 . 1 1 53 53 ILE HA H 1 4.480 0.030 . 1 . . . . 53 ILE HA . 10128 1 616 . 1 1 53 53 ILE HB H 1 1.536 0.030 . 1 . . . . 53 ILE HB . 10128 1 617 . 1 1 53 53 ILE HG12 H 1 0.998 0.030 . 2 . . . . 53 ILE HG12 . 10128 1 618 . 1 1 53 53 ILE HG13 H 1 0.386 0.030 . 2 . . . . 53 ILE HG13 . 10128 1 619 . 1 1 53 53 ILE HG21 H 1 0.715 0.030 . 1 . . . . 53 ILE HG2 . 10128 1 620 . 1 1 53 53 ILE HG22 H 1 0.715 0.030 . 1 . . . . 53 ILE HG2 . 10128 1 621 . 1 1 53 53 ILE HG23 H 1 0.715 0.030 . 1 . . . . 53 ILE HG2 . 10128 1 622 . 1 1 53 53 ILE HD11 H 1 0.386 0.030 . 1 . . . . 53 ILE HD1 . 10128 1 623 . 1 1 53 53 ILE HD12 H 1 0.386 0.030 . 1 . . . . 53 ILE HD1 . 10128 1 624 . 1 1 53 53 ILE HD13 H 1 0.386 0.030 . 1 . . . . 53 ILE HD1 . 10128 1 625 . 1 1 53 53 ILE C C 13 174.832 0.300 . 1 . . . . 53 ILE C . 10128 1 626 . 1 1 53 53 ILE CA C 13 60.476 0.300 . 1 . . . . 53 ILE CA . 10128 1 627 . 1 1 53 53 ILE CB C 13 39.796 0.300 . 1 . . . . 53 ILE CB . 10128 1 628 . 1 1 53 53 ILE CG1 C 13 28.505 0.300 . 1 . . . . 53 ILE CG1 . 10128 1 629 . 1 1 53 53 ILE CG2 C 13 18.778 0.300 . 1 . . . . 53 ILE CG2 . 10128 1 630 . 1 1 53 53 ILE CD1 C 13 15.423 0.300 . 1 . . . . 53 ILE CD1 . 10128 1 631 . 1 1 53 53 ILE N N 15 126.605 0.300 . 1 . . . . 53 ILE N . 10128 1 632 . 1 1 54 54 GLY H H 1 9.165 0.030 . 1 . . . . 54 GLY H . 10128 1 633 . 1 1 54 54 GLY HA2 H 1 5.658 0.030 . 2 . . . . 54 GLY HA2 . 10128 1 634 . 1 1 54 54 GLY HA3 H 1 2.851 0.030 . 2 . . . . 54 GLY HA3 . 10128 1 635 . 1 1 54 54 GLY C C 13 172.500 0.300 . 1 . . . . 54 GLY C . 10128 1 636 . 1 1 54 54 GLY CA C 13 43.532 0.300 . 1 . . . . 54 GLY CA . 10128 1 637 . 1 1 54 54 GLY N N 15 114.158 0.300 . 1 . . . . 54 GLY N . 10128 1 638 . 1 1 55 55 TYR H H 1 9.274 0.030 . 1 . . . . 55 TYR H . 10128 1 639 . 1 1 55 55 TYR HA H 1 6.486 0.030 . 1 . . . . 55 TYR HA . 10128 1 640 . 1 1 55 55 TYR HB2 H 1 2.953 0.030 . 2 . . . . 55 TYR HB2 . 10128 1 641 . 1 1 55 55 TYR HB3 H 1 2.795 0.030 . 2 . . . . 55 TYR HB3 . 10128 1 642 . 1 1 55 55 TYR HD1 H 1 6.868 0.030 . 1 . . . . 55 TYR HD1 . 10128 1 643 . 1 1 55 55 TYR HD2 H 1 6.868 0.030 . 1 . . . . 55 TYR HD2 . 10128 1 644 . 1 1 55 55 TYR HE1 H 1 6.651 0.030 . 1 . . . . 55 TYR HE1 . 10128 1 645 . 1 1 55 55 TYR HE2 H 1 6.651 0.030 . 1 . . . . 55 TYR HE2 . 10128 1 646 . 1 1 55 55 TYR C C 13 174.315 0.300 . 1 . . . . 55 TYR C . 10128 1 647 . 1 1 55 55 TYR CA C 13 55.059 0.300 . 1 . . . . 55 TYR CA . 10128 1 648 . 1 1 55 55 TYR CB C 13 42.558 0.300 . 1 . . . . 55 TYR CB . 10128 1 649 . 1 1 55 55 TYR CD1 C 13 133.602 0.300 . 1 . . . . 55 TYR CD1 . 10128 1 650 . 1 1 55 55 TYR CD2 C 13 133.602 0.300 . 1 . . . . 55 TYR CD2 . 10128 1 651 . 1 1 55 55 TYR CE1 C 13 118.032 0.300 . 1 . . . . 55 TYR CE1 . 10128 1 652 . 1 1 55 55 TYR CE2 C 13 118.032 0.300 . 1 . . . . 55 TYR CE2 . 10128 1 653 . 1 1 55 55 TYR N N 15 119.728 0.300 . 1 . . . . 55 TYR N . 10128 1 654 . 1 1 56 56 ARG H H 1 9.313 0.030 . 1 . . . . 56 ARG H . 10128 1 655 . 1 1 56 56 ARG HA H 1 4.935 0.030 . 1 . . . . 56 ARG HA . 10128 1 656 . 1 1 56 56 ARG HB2 H 1 1.320 0.030 . 2 . . . . 56 ARG HB2 . 10128 1 657 . 1 1 56 56 ARG HB3 H 1 1.218 0.030 . 2 . . . . 56 ARG HB3 . 10128 1 658 . 1 1 56 56 ARG HG2 H 1 1.111 0.030 . 2 . . . . 56 ARG HG2 . 10128 1 659 . 1 1 56 56 ARG HG3 H 1 1.339 0.030 . 2 . . . . 56 ARG HG3 . 10128 1 660 . 1 1 56 56 ARG HD2 H 1 2.436 0.030 . 2 . . . . 56 ARG HD2 . 10128 1 661 . 1 1 56 56 ARG HD3 H 1 1.345 0.030 . 2 . . . . 56 ARG HD3 . 10128 1 662 . 1 1 56 56 ARG HE H 1 7.824 0.030 . 1 . . . . 56 ARG HE . 10128 1 663 . 1 1 56 56 ARG C C 13 173.641 0.300 . 1 . . . . 56 ARG C . 10128 1 664 . 1 1 56 56 ARG CA C 13 53.576 0.300 . 1 . . . . 56 ARG CA . 10128 1 665 . 1 1 56 56 ARG CB C 13 33.359 0.300 . 1 . . . . 56 ARG CB . 10128 1 666 . 1 1 56 56 ARG CG C 13 24.728 0.300 . 1 . . . . 56 ARG CG . 10128 1 667 . 1 1 56 56 ARG CD C 13 43.577 0.300 . 1 . . . . 56 ARG CD . 10128 1 668 . 1 1 56 56 ARG N N 15 118.944 0.300 . 1 . . . . 56 ARG N . 10128 1 669 . 1 1 56 56 ARG NE N 15 86.826 0.300 . 1 . . . . 56 ARG NE . 10128 1 670 . 1 1 57 57 GLU H H 1 8.930 0.030 . 1 . . . . 57 GLU H . 10128 1 671 . 1 1 57 57 GLU HA H 1 3.890 0.030 . 1 . . . . 57 GLU HA . 10128 1 672 . 1 1 57 57 GLU HB2 H 1 1.879 0.030 . 2 . . . . 57 GLU HB2 . 10128 1 673 . 1 1 57 57 GLU HB3 H 1 1.682 0.030 . 2 . . . . 57 GLU HB3 . 10128 1 674 . 1 1 57 57 GLU HG2 H 1 1.967 0.030 . 2 . . . . 57 GLU HG2 . 10128 1 675 . 1 1 57 57 GLU HG3 H 1 1.770 0.030 . 2 . . . . 57 GLU HG3 . 10128 1 676 . 1 1 57 57 GLU C C 13 176.689 0.300 . 1 . . . . 57 GLU C . 10128 1 677 . 1 1 57 57 GLU CA C 13 56.340 0.300 . 1 . . . . 57 GLU CA . 10128 1 678 . 1 1 57 57 GLU CB C 13 29.964 0.300 . 1 . . . . 57 GLU CB . 10128 1 679 . 1 1 57 57 GLU CG C 13 36.544 0.300 . 1 . . . . 57 GLU CG . 10128 1 680 . 1 1 57 57 GLU N N 15 124.989 0.300 . 1 . . . . 57 GLU N . 10128 1 681 . 1 1 58 58 ASN H H 1 8.658 0.030 . 1 . . . . 58 ASN H . 10128 1 682 . 1 1 58 58 ASN HA H 1 4.885 0.030 . 1 . . . . 58 ASN HA . 10128 1 683 . 1 1 58 58 ASN HB2 H 1 2.535 0.030 . 2 . . . . 58 ASN HB2 . 10128 1 684 . 1 1 58 58 ASN HB3 H 1 2.334 0.030 . 2 . . . . 58 ASN HB3 . 10128 1 685 . 1 1 58 58 ASN HD21 H 1 7.425 0.030 . 2 . . . . 58 ASN HD21 . 10128 1 686 . 1 1 58 58 ASN HD22 H 1 6.607 0.030 . 2 . . . . 58 ASN HD22 . 10128 1 687 . 1 1 58 58 ASN C C 13 174.599 0.300 . 1 . . . . 58 ASN C . 10128 1 688 . 1 1 58 58 ASN CA C 13 51.898 0.300 . 1 . . . . 58 ASN CA . 10128 1 689 . 1 1 58 58 ASN CB C 13 38.658 0.300 . 1 . . . . 58 ASN CB . 10128 1 690 . 1 1 58 58 ASN N N 15 126.418 0.300 . 1 . . . . 58 ASN N . 10128 1 691 . 1 1 58 58 ASN ND2 N 15 110.058 0.300 . 1 . . . . 58 ASN ND2 . 10128 1 692 . 1 1 59 59 SER H H 1 7.664 0.030 . 1 . . . . 59 SER H . 10128 1 693 . 1 1 59 59 SER HA H 1 4.665 0.030 . 1 . . . . 59 SER HA . 10128 1 694 . 1 1 59 59 SER HB2 H 1 3.805 0.030 . 1 . . . . 59 SER HB2 . 10128 1 695 . 1 1 59 59 SER HB3 H 1 3.805 0.030 . 1 . . . . 59 SER HB3 . 10128 1 696 . 1 1 59 59 SER C C 13 172.472 0.300 . 1 . . . . 59 SER C . 10128 1 697 . 1 1 59 59 SER CA C 13 56.652 0.300 . 1 . . . . 59 SER CA . 10128 1 698 . 1 1 59 59 SER CB C 13 62.936 0.300 . 1 . . . . 59 SER CB . 10128 1 699 . 1 1 59 59 SER N N 15 117.136 0.300 . 1 . . . . 59 SER N . 10128 1 700 . 1 1 60 60 PRO HA H 1 4.301 0.030 . 1 . . . . 60 PRO HA . 10128 1 701 . 1 1 60 60 PRO HB2 H 1 2.283 0.030 . 2 . . . . 60 PRO HB2 . 10128 1 702 . 1 1 60 60 PRO HB3 H 1 1.862 0.030 . 2 . . . . 60 PRO HB3 . 10128 1 703 . 1 1 60 60 PRO HG2 H 1 2.100 0.030 . 2 . . . . 60 PRO HG2 . 10128 1 704 . 1 1 60 60 PRO HG3 H 1 1.956 0.030 . 2 . . . . 60 PRO HG3 . 10128 1 705 . 1 1 60 60 PRO HD2 H 1 3.796 0.030 . 2 . . . . 60 PRO HD2 . 10128 1 706 . 1 1 60 60 PRO HD3 H 1 3.626 0.030 . 2 . . . . 60 PRO HD3 . 10128 1 707 . 1 1 60 60 PRO C C 13 177.840 0.300 . 1 . . . . 60 PRO C . 10128 1 708 . 1 1 60 60 PRO CA C 13 64.703 0.300 . 1 . . . . 60 PRO CA . 10128 1 709 . 1 1 60 60 PRO CB C 13 31.446 0.300 . 1 . . . . 60 PRO CB . 10128 1 710 . 1 1 60 60 PRO CG C 13 27.828 0.300 . 1 . . . . 60 PRO CG . 10128 1 711 . 1 1 60 60 PRO CD C 13 50.690 0.300 . 1 . . . . 60 PRO CD . 10128 1 712 . 1 1 61 61 GLY H H 1 8.711 0.030 . 1 . . . . 61 GLY H . 10128 1 713 . 1 1 61 61 GLY HA2 H 1 4.068 0.030 . 2 . . . . 61 GLY HA2 . 10128 1 714 . 1 1 61 61 GLY HA3 H 1 3.777 0.030 . 2 . . . . 61 GLY HA3 . 10128 1 715 . 1 1 61 61 GLY C C 13 174.541 0.300 . 1 . . . . 61 GLY C . 10128 1 716 . 1 1 61 61 GLY CA C 13 45.275 0.300 . 1 . . . . 61 GLY CA . 10128 1 717 . 1 1 61 61 GLY N N 15 111.590 0.300 . 1 . . . . 61 GLY N . 10128 1 718 . 1 1 62 62 SER H H 1 7.836 0.030 . 1 . . . . 62 SER H . 10128 1 719 . 1 1 62 62 SER HA H 1 4.362 0.030 . 1 . . . . 62 SER HA . 10128 1 720 . 1 1 62 62 SER HB2 H 1 3.881 0.030 . 2 . . . . 62 SER HB2 . 10128 1 721 . 1 1 62 62 SER HB3 H 1 3.838 0.030 . 2 . . . . 62 SER HB3 . 10128 1 722 . 1 1 62 62 SER C C 13 174.457 0.300 . 1 . . . . 62 SER C . 10128 1 723 . 1 1 62 62 SER CA C 13 58.482 0.300 . 1 . . . . 62 SER CA . 10128 1 724 . 1 1 62 62 SER CB C 13 64.104 0.300 . 1 . . . . 62 SER CB . 10128 1 725 . 1 1 62 62 SER N N 15 115.825 0.300 . 1 . . . . 62 SER N . 10128 1 726 . 1 1 63 63 ASN H H 1 8.690 0.030 . 1 . . . . 63 ASN H . 10128 1 727 . 1 1 63 63 ASN HA H 1 4.637 0.030 . 1 . . . . 63 ASN HA . 10128 1 728 . 1 1 63 63 ASN HB2 H 1 2.851 0.030 . 2 . . . . 63 ASN HB2 . 10128 1 729 . 1 1 63 63 ASN HB3 H 1 2.812 0.030 . 2 . . . . 63 ASN HB3 . 10128 1 730 . 1 1 63 63 ASN HD21 H 1 7.529 0.030 . 2 . . . . 63 ASN HD21 . 10128 1 731 . 1 1 63 63 ASN HD22 H 1 6.858 0.030 . 2 . . . . 63 ASN HD22 . 10128 1 732 . 1 1 63 63 ASN C C 13 176.123 0.300 . 1 . . . . 63 ASN C . 10128 1 733 . 1 1 63 63 ASN CA C 13 53.218 0.300 . 1 . . . . 63 ASN CA . 10128 1 734 . 1 1 63 63 ASN CB C 13 38.461 0.300 . 1 . . . . 63 ASN CB . 10128 1 735 . 1 1 63 63 ASN N N 15 121.392 0.300 . 1 . . . . 63 ASN N . 10128 1 736 . 1 1 63 63 ASN ND2 N 15 111.901 0.300 . 1 . . . . 63 ASN ND2 . 10128 1 737 . 1 1 64 64 GLY H H 1 8.445 0.030 . 1 . . . . 64 GLY H . 10128 1 738 . 1 1 64 64 GLY HA2 H 1 3.907 0.030 . 2 . . . . 64 GLY HA2 . 10128 1 739 . 1 1 64 64 GLY HA3 H 1 3.848 0.030 . 2 . . . . 64 GLY HA3 . 10128 1 740 . 1 1 64 64 GLY C C 13 173.858 0.300 . 1 . . . . 64 GLY C . 10128 1 741 . 1 1 64 64 GLY CA C 13 45.498 0.300 . 1 . . . . 64 GLY CA . 10128 1 742 . 1 1 64 64 GLY N N 15 108.915 0.300 . 1 . . . . 64 GLY N . 10128 1 743 . 1 1 65 65 GLN H H 1 8.087 0.030 . 1 . . . . 65 GLN H . 10128 1 744 . 1 1 65 65 GLN HA H 1 4.230 0.030 . 1 . . . . 65 GLN HA . 10128 1 745 . 1 1 65 65 GLN HB2 H 1 2.011 0.030 . 2 . . . . 65 GLN HB2 . 10128 1 746 . 1 1 65 65 GLN HB3 H 1 1.878 0.030 . 2 . . . . 65 GLN HB3 . 10128 1 747 . 1 1 65 65 GLN HG2 H 1 2.303 0.030 . 1 . . . . 65 GLN HG2 . 10128 1 748 . 1 1 65 65 GLN HG3 H 1 2.303 0.030 . 1 . . . . 65 GLN HG3 . 10128 1 749 . 1 1 65 65 GLN HE21 H 1 7.518 0.030 . 2 . . . . 65 GLN HE21 . 10128 1 750 . 1 1 65 65 GLN HE22 H 1 6.850 0.030 . 2 . . . . 65 GLN HE22 . 10128 1 751 . 1 1 65 65 GLN C C 13 176.398 0.300 . 1 . . . . 65 GLN C . 10128 1 752 . 1 1 65 65 GLN CA C 13 54.891 0.300 . 1 . . . . 65 GLN CA . 10128 1 753 . 1 1 65 65 GLN CB C 13 29.762 0.300 . 1 . . . . 65 GLN CB . 10128 1 754 . 1 1 65 65 GLN CG C 13 33.689 0.300 . 1 . . . . 65 GLN CG . 10128 1 755 . 1 1 65 65 GLN N N 15 119.180 0.300 . 1 . . . . 65 GLN N . 10128 1 756 . 1 1 65 65 GLN NE2 N 15 112.846 0.300 . 1 . . . . 65 GLN NE2 . 10128 1 757 . 1 1 66 66 TYR H H 1 8.543 0.030 . 1 . . . . 66 TYR H . 10128 1 758 . 1 1 66 66 TYR HA H 1 4.220 0.030 . 1 . . . . 66 TYR HA . 10128 1 759 . 1 1 66 66 TYR HB2 H 1 2.668 0.030 . 2 . . . . 66 TYR HB2 . 10128 1 760 . 1 1 66 66 TYR HB3 H 1 2.579 0.030 . 2 . . . . 66 TYR HB3 . 10128 1 761 . 1 1 66 66 TYR HD1 H 1 6.846 0.030 . 1 . . . . 66 TYR HD1 . 10128 1 762 . 1 1 66 66 TYR HD2 H 1 6.846 0.030 . 1 . . . . 66 TYR HD2 . 10128 1 763 . 1 1 66 66 TYR HE1 H 1 6.651 0.030 . 1 . . . . 66 TYR HE1 . 10128 1 764 . 1 1 66 66 TYR HE2 H 1 6.651 0.030 . 1 . . . . 66 TYR HE2 . 10128 1 765 . 1 1 66 66 TYR C C 13 177.780 0.300 . 1 . . . . 66 TYR C . 10128 1 766 . 1 1 66 66 TYR CA C 13 59.694 0.300 . 1 . . . . 66 TYR CA . 10128 1 767 . 1 1 66 66 TYR CB C 13 38.435 0.300 . 1 . . . . 66 TYR CB . 10128 1 768 . 1 1 66 66 TYR CD1 C 13 132.310 0.300 . 1 . . . . 66 TYR CD1 . 10128 1 769 . 1 1 66 66 TYR CD2 C 13 132.310 0.300 . 1 . . . . 66 TYR CD2 . 10128 1 770 . 1 1 66 66 TYR CE1 C 13 118.258 0.300 . 1 . . . . 66 TYR CE1 . 10128 1 771 . 1 1 66 66 TYR CE2 C 13 118.258 0.300 . 1 . . . . 66 TYR CE2 . 10128 1 772 . 1 1 66 66 TYR N N 15 121.248 0.300 . 1 . . . . 66 TYR N . 10128 1 773 . 1 1 67 67 SER H H 1 8.802 0.030 . 1 . . . . 67 SER H . 10128 1 774 . 1 1 67 67 SER HA H 1 4.518 0.030 . 1 . . . . 67 SER HA . 10128 1 775 . 1 1 67 67 SER HB2 H 1 3.460 0.030 . 2 . . . . 67 SER HB2 . 10128 1 776 . 1 1 67 67 SER HB3 H 1 2.690 0.030 . 2 . . . . 67 SER HB3 . 10128 1 777 . 1 1 67 67 SER C C 13 172.542 0.300 . 1 . . . . 67 SER C . 10128 1 778 . 1 1 67 67 SER CA C 13 58.741 0.300 . 1 . . . . 67 SER CA . 10128 1 779 . 1 1 67 67 SER CB C 13 63.532 0.300 . 1 . . . . 67 SER CB . 10128 1 780 . 1 1 67 67 SER N N 15 121.001 0.300 . 1 . . . . 67 SER N . 10128 1 781 . 1 1 68 68 ILE H H 1 8.372 0.030 . 1 . . . . 68 ILE H . 10128 1 782 . 1 1 68 68 ILE HA H 1 5.392 0.030 . 1 . . . . 68 ILE HA . 10128 1 783 . 1 1 68 68 ILE HB H 1 1.687 0.030 . 1 . . . . 68 ILE HB . 10128 1 784 . 1 1 68 68 ILE HG12 H 1 1.341 0.030 . 2 . . . . 68 ILE HG12 . 10128 1 785 . 1 1 68 68 ILE HG13 H 1 1.084 0.030 . 2 . . . . 68 ILE HG13 . 10128 1 786 . 1 1 68 68 ILE HG21 H 1 0.661 0.030 . 1 . . . . 68 ILE HG2 . 10128 1 787 . 1 1 68 68 ILE HG22 H 1 0.661 0.030 . 1 . . . . 68 ILE HG2 . 10128 1 788 . 1 1 68 68 ILE HG23 H 1 0.661 0.030 . 1 . . . . 68 ILE HG2 . 10128 1 789 . 1 1 68 68 ILE HD11 H 1 0.622 0.030 . 1 . . . . 68 ILE HD1 . 10128 1 790 . 1 1 68 68 ILE HD12 H 1 0.622 0.030 . 1 . . . . 68 ILE HD1 . 10128 1 791 . 1 1 68 68 ILE HD13 H 1 0.622 0.030 . 1 . . . . 68 ILE HD1 . 10128 1 792 . 1 1 68 68 ILE C C 13 176.990 0.300 . 1 . . . . 68 ILE C . 10128 1 793 . 1 1 68 68 ILE CA C 13 59.244 0.300 . 1 . . . . 68 ILE CA . 10128 1 794 . 1 1 68 68 ILE CB C 13 40.122 0.300 . 1 . . . . 68 ILE CB . 10128 1 795 . 1 1 68 68 ILE CG1 C 13 26.911 0.300 . 1 . . . . 68 ILE CG1 . 10128 1 796 . 1 1 68 68 ILE CG2 C 13 17.737 0.300 . 1 . . . . 68 ILE CG2 . 10128 1 797 . 1 1 68 68 ILE CD1 C 13 11.621 0.300 . 1 . . . . 68 ILE CD1 . 10128 1 798 . 1 1 68 68 ILE N N 15 122.301 0.300 . 1 . . . . 68 ILE N . 10128 1 799 . 1 1 69 69 VAL H H 1 9.163 0.030 . 1 . . . . 69 VAL H . 10128 1 800 . 1 1 69 69 VAL HA H 1 4.509 0.030 . 1 . . . . 69 VAL HA . 10128 1 801 . 1 1 69 69 VAL HB H 1 2.004 0.030 . 1 . . . . 69 VAL HB . 10128 1 802 . 1 1 69 69 VAL HG11 H 1 0.893 0.030 . 1 . . . . 69 VAL HG1 . 10128 1 803 . 1 1 69 69 VAL HG12 H 1 0.893 0.030 . 1 . . . . 69 VAL HG1 . 10128 1 804 . 1 1 69 69 VAL HG13 H 1 0.893 0.030 . 1 . . . . 69 VAL HG1 . 10128 1 805 . 1 1 69 69 VAL HG21 H 1 0.948 0.030 . 1 . . . . 69 VAL HG2 . 10128 1 806 . 1 1 69 69 VAL HG22 H 1 0.948 0.030 . 1 . . . . 69 VAL HG2 . 10128 1 807 . 1 1 69 69 VAL HG23 H 1 0.948 0.030 . 1 . . . . 69 VAL HG2 . 10128 1 808 . 1 1 69 69 VAL C C 13 173.616 0.300 . 1 . . . . 69 VAL C . 10128 1 809 . 1 1 69 69 VAL CA C 13 60.537 0.300 . 1 . . . . 69 VAL CA . 10128 1 810 . 1 1 69 69 VAL CB C 13 35.459 0.300 . 1 . . . . 69 VAL CB . 10128 1 811 . 1 1 69 69 VAL CG1 C 13 21.177 0.300 . 2 . . . . 69 VAL CG1 . 10128 1 812 . 1 1 69 69 VAL CG2 C 13 20.598 0.300 . 2 . . . . 69 VAL CG2 . 10128 1 813 . 1 1 69 69 VAL N N 15 125.982 0.300 . 1 . . . . 69 VAL N . 10128 1 814 . 1 1 70 70 GLU H H 1 8.591 0.030 . 1 . . . . 70 GLU H . 10128 1 815 . 1 1 70 70 GLU HA H 1 5.365 0.030 . 1 . . . . 70 GLU HA . 10128 1 816 . 1 1 70 70 GLU HB2 H 1 2.002 0.030 . 1 . . . . 70 GLU HB2 . 10128 1 817 . 1 1 70 70 GLU HB3 H 1 2.002 0.030 . 1 . . . . 70 GLU HB3 . 10128 1 818 . 1 1 70 70 GLU HG2 H 1 2.266 0.030 . 2 . . . . 70 GLU HG2 . 10128 1 819 . 1 1 70 70 GLU HG3 H 1 2.156 0.030 . 2 . . . . 70 GLU HG3 . 10128 1 820 . 1 1 70 70 GLU C C 13 174.990 0.300 . 1 . . . . 70 GLU C . 10128 1 821 . 1 1 70 70 GLU CA C 13 54.856 0.300 . 1 . . . . 70 GLU CA . 10128 1 822 . 1 1 70 70 GLU CB C 13 33.233 0.300 . 1 . . . . 70 GLU CB . 10128 1 823 . 1 1 70 70 GLU CG C 13 37.462 0.300 . 1 . . . . 70 GLU CG . 10128 1 824 . 1 1 70 70 GLU N N 15 124.433 0.300 . 1 . . . . 70 GLU N . 10128 1 825 . 1 1 71 71 MET H H 1 9.036 0.030 . 1 . . . . 71 MET H . 10128 1 826 . 1 1 71 71 MET HA H 1 4.957 0.030 . 1 . . . . 71 MET HA . 10128 1 827 . 1 1 71 71 MET HB2 H 1 2.261 0.030 . 2 . . . . 71 MET HB2 . 10128 1 828 . 1 1 71 71 MET HB3 H 1 2.003 0.030 . 2 . . . . 71 MET HB3 . 10128 1 829 . 1 1 71 71 MET HG2 H 1 2.635 0.030 . 2 . . . . 71 MET HG2 . 10128 1 830 . 1 1 71 71 MET HG3 H 1 2.431 0.030 . 2 . . . . 71 MET HG3 . 10128 1 831 . 1 1 71 71 MET HE1 H 1 2.042 0.030 . 1 . . . . 71 MET HE . 10128 1 832 . 1 1 71 71 MET HE2 H 1 2.042 0.030 . 1 . . . . 71 MET HE . 10128 1 833 . 1 1 71 71 MET HE3 H 1 2.042 0.030 . 1 . . . . 71 MET HE . 10128 1 834 . 1 1 71 71 MET C C 13 174.483 0.300 . 1 . . . . 71 MET C . 10128 1 835 . 1 1 71 71 MET CA C 13 54.031 0.300 . 1 . . . . 71 MET CA . 10128 1 836 . 1 1 71 71 MET CB C 13 35.024 0.300 . 1 . . . . 71 MET CB . 10128 1 837 . 1 1 71 71 MET CG C 13 30.400 0.300 . 1 . . . . 71 MET CG . 10128 1 838 . 1 1 71 71 MET CE C 13 17.724 0.300 . 1 . . . . 71 MET CE . 10128 1 839 . 1 1 71 71 MET N N 15 121.132 0.300 . 1 . . . . 71 MET N . 10128 1 840 . 1 1 72 72 LYS H H 1 8.542 0.030 . 1 . . . . 72 LYS H . 10128 1 841 . 1 1 72 72 LYS HA H 1 4.555 0.030 . 1 . . . . 72 LYS HA . 10128 1 842 . 1 1 72 72 LYS HB2 H 1 1.897 0.030 . 2 . . . . 72 LYS HB2 . 10128 1 843 . 1 1 72 72 LYS HB3 H 1 1.865 0.030 . 2 . . . . 72 LYS HB3 . 10128 1 844 . 1 1 72 72 LYS HG2 H 1 1.644 0.030 . 1 . . . . 72 LYS HG2 . 10128 1 845 . 1 1 72 72 LYS HG3 H 1 1.644 0.030 . 1 . . . . 72 LYS HG3 . 10128 1 846 . 1 1 72 72 LYS HD2 H 1 1.785 0.030 . 1 . . . . 72 LYS HD2 . 10128 1 847 . 1 1 72 72 LYS HD3 H 1 1.785 0.030 . 1 . . . . 72 LYS HD3 . 10128 1 848 . 1 1 72 72 LYS HE2 H 1 3.097 0.030 . 1 . . . . 72 LYS HE2 . 10128 1 849 . 1 1 72 72 LYS HE3 H 1 3.097 0.030 . 1 . . . . 72 LYS HE3 . 10128 1 850 . 1 1 72 72 LYS C C 13 175.465 0.300 . 1 . . . . 72 LYS C . 10128 1 851 . 1 1 72 72 LYS CA C 13 56.155 0.300 . 1 . . . . 72 LYS CA . 10128 1 852 . 1 1 72 72 LYS CB C 13 33.552 0.300 . 1 . . . . 72 LYS CB . 10128 1 853 . 1 1 72 72 LYS CG C 13 25.097 0.300 . 1 . . . . 72 LYS CG . 10128 1 854 . 1 1 72 72 LYS CD C 13 29.281 0.300 . 1 . . . . 72 LYS CD . 10128 1 855 . 1 1 72 72 LYS CE C 13 42.263 0.300 . 1 . . . . 72 LYS CE . 10128 1 856 . 1 1 72 72 LYS N N 15 122.340 0.300 . 1 . . . . 72 LYS N . 10128 1 857 . 1 1 73 73 ALA H H 1 7.505 0.030 . 1 . . . . 73 ALA H . 10128 1 858 . 1 1 73 73 ALA HA H 1 4.421 0.030 . 1 . . . . 73 ALA HA . 10128 1 859 . 1 1 73 73 ALA HB1 H 1 1.195 0.030 . 1 . . . . 73 ALA HB . 10128 1 860 . 1 1 73 73 ALA HB2 H 1 1.195 0.030 . 1 . . . . 73 ALA HB . 10128 1 861 . 1 1 73 73 ALA HB3 H 1 1.195 0.030 . 1 . . . . 73 ALA HB . 10128 1 862 . 1 1 73 73 ALA C C 13 178.180 0.300 . 1 . . . . 73 ALA C . 10128 1 863 . 1 1 73 73 ALA CA C 13 52.281 0.300 . 1 . . . . 73 ALA CA . 10128 1 864 . 1 1 73 73 ALA CB C 13 19.740 0.300 . 1 . . . . 73 ALA CB . 10128 1 865 . 1 1 73 73 ALA N N 15 126.159 0.300 . 1 . . . . 73 ALA N . 10128 1 866 . 1 1 74 74 THR H H 1 11.447 0.030 . 1 . . . . 74 THR H . 10128 1 867 . 1 1 74 74 THR HA H 1 4.611 0.030 . 1 . . . . 74 THR HA . 10128 1 868 . 1 1 74 74 THR HB H 1 4.256 0.030 . 1 . . . . 74 THR HB . 10128 1 869 . 1 1 74 74 THR HG21 H 1 1.257 0.030 . 1 . . . . 74 THR HG2 . 10128 1 870 . 1 1 74 74 THR HG22 H 1 1.257 0.030 . 1 . . . . 74 THR HG2 . 10128 1 871 . 1 1 74 74 THR HG23 H 1 1.257 0.030 . 1 . . . . 74 THR HG2 . 10128 1 872 . 1 1 74 74 THR C C 13 175.690 0.300 . 1 . . . . 74 THR C . 10128 1 873 . 1 1 74 74 THR CA C 13 62.346 0.300 . 1 . . . . 74 THR CA . 10128 1 874 . 1 1 74 74 THR CB C 13 71.508 0.300 . 1 . . . . 74 THR CB . 10128 1 875 . 1 1 74 74 THR CG2 C 13 21.420 0.300 . 1 . . . . 74 THR CG2 . 10128 1 876 . 1 1 74 74 THR N N 15 116.602 0.300 . 1 . . . . 74 THR N . 10128 1 877 . 1 1 75 75 GLY H H 1 7.757 0.030 . 1 . . . . 75 GLY H . 10128 1 878 . 1 1 75 75 GLY HA2 H 1 4.165 0.030 . 2 . . . . 75 GLY HA2 . 10128 1 879 . 1 1 75 75 GLY HA3 H 1 4.041 0.030 . 2 . . . . 75 GLY HA3 . 10128 1 880 . 1 1 75 75 GLY C C 13 172.767 0.300 . 1 . . . . 75 GLY C . 10128 1 881 . 1 1 75 75 GLY CA C 13 46.405 0.300 . 1 . . . . 75 GLY CA . 10128 1 882 . 1 1 75 75 GLY N N 15 112.080 0.300 . 1 . . . . 75 GLY N . 10128 1 883 . 1 1 76 76 ASP H H 1 8.730 0.030 . 1 . . . . 76 ASP H . 10128 1 884 . 1 1 76 76 ASP HA H 1 4.611 0.030 . 1 . . . . 76 ASP HA . 10128 1 885 . 1 1 76 76 ASP HB2 H 1 2.784 0.030 . 2 . . . . 76 ASP HB2 . 10128 1 886 . 1 1 76 76 ASP HB3 H 1 2.635 0.030 . 2 . . . . 76 ASP HB3 . 10128 1 887 . 1 1 76 76 ASP C C 13 175.481 0.300 . 1 . . . . 76 ASP C . 10128 1 888 . 1 1 76 76 ASP CA C 13 55.900 0.300 . 1 . . . . 76 ASP CA . 10128 1 889 . 1 1 76 76 ASP CB C 13 41.364 0.300 . 1 . . . . 76 ASP CB . 10128 1 890 . 1 1 76 76 ASP N N 15 122.658 0.300 . 1 . . . . 76 ASP N . 10128 1 891 . 1 1 77 77 SER H H 1 7.653 0.030 . 1 . . . . 77 SER H . 10128 1 892 . 1 1 77 77 SER HA H 1 4.716 0.030 . 1 . . . . 77 SER HA . 10128 1 893 . 1 1 77 77 SER HB2 H 1 3.722 0.030 . 1 . . . . 77 SER HB2 . 10128 1 894 . 1 1 77 77 SER HB3 H 1 3.722 0.030 . 1 . . . . 77 SER HB3 . 10128 1 895 . 1 1 77 77 SER C C 13 172.058 0.300 . 1 . . . . 77 SER C . 10128 1 896 . 1 1 77 77 SER CA C 13 57.169 0.300 . 1 . . . . 77 SER CA . 10128 1 897 . 1 1 77 77 SER CB C 13 64.712 0.300 . 1 . . . . 77 SER CB . 10128 1 898 . 1 1 77 77 SER N N 15 114.058 0.300 . 1 . . . . 77 SER N . 10128 1 899 . 1 1 78 78 GLU H H 1 7.986 0.030 . 1 . . . . 78 GLU H . 10128 1 900 . 1 1 78 78 GLU HA H 1 4.552 0.030 . 1 . . . . 78 GLU HA . 10128 1 901 . 1 1 78 78 GLU HB2 H 1 -1.296 0.030 . 2 . . . . 78 GLU HB2 . 10128 1 902 . 1 1 78 78 GLU HB3 H 1 0.730 0.030 . 2 . . . . 78 GLU HB3 . 10128 1 903 . 1 1 78 78 GLU HG2 H 1 1.605 0.030 . 2 . . . . 78 GLU HG2 . 10128 1 904 . 1 1 78 78 GLU HG3 H 1 1.388 0.030 . 2 . . . . 78 GLU HG3 . 10128 1 905 . 1 1 78 78 GLU C C 13 175.181 0.300 . 1 . . . . 78 GLU C . 10128 1 906 . 1 1 78 78 GLU CA C 13 53.315 0.300 . 1 . . . . 78 GLU CA . 10128 1 907 . 1 1 78 78 GLU CB C 13 32.206 0.300 . 1 . . . . 78 GLU CB . 10128 1 908 . 1 1 78 78 GLU CG C 13 32.676 0.300 . 1 . . . . 78 GLU CG . 10128 1 909 . 1 1 78 78 GLU N N 15 119.125 0.300 . 1 . . . . 78 GLU N . 10128 1 910 . 1 1 79 79 VAL H H 1 8.139 0.030 . 1 . . . . 79 VAL H . 10128 1 911 . 1 1 79 79 VAL HA H 1 4.831 0.030 . 1 . . . . 79 VAL HA . 10128 1 912 . 1 1 79 79 VAL HB H 1 1.739 0.030 . 1 . . . . 79 VAL HB . 10128 1 913 . 1 1 79 79 VAL HG11 H 1 0.724 0.030 . 1 . . . . 79 VAL HG1 . 10128 1 914 . 1 1 79 79 VAL HG12 H 1 0.724 0.030 . 1 . . . . 79 VAL HG1 . 10128 1 915 . 1 1 79 79 VAL HG13 H 1 0.724 0.030 . 1 . . . . 79 VAL HG1 . 10128 1 916 . 1 1 79 79 VAL HG21 H 1 0.701 0.030 . 1 . . . . 79 VAL HG2 . 10128 1 917 . 1 1 79 79 VAL HG22 H 1 0.701 0.030 . 1 . . . . 79 VAL HG2 . 10128 1 918 . 1 1 79 79 VAL HG23 H 1 0.701 0.030 . 1 . . . . 79 VAL HG2 . 10128 1 919 . 1 1 79 79 VAL C C 13 173.566 0.300 . 1 . . . . 79 VAL C . 10128 1 920 . 1 1 79 79 VAL CA C 13 59.788 0.300 . 1 . . . . 79 VAL CA . 10128 1 921 . 1 1 79 79 VAL CB C 13 35.154 0.300 . 1 . . . . 79 VAL CB . 10128 1 922 . 1 1 79 79 VAL CG1 C 13 20.915 0.300 . 2 . . . . 79 VAL CG1 . 10128 1 923 . 1 1 79 79 VAL CG2 C 13 19.728 0.300 . 2 . . . . 79 VAL CG2 . 10128 1 924 . 1 1 79 79 VAL N N 15 118.660 0.300 . 1 . . . . 79 VAL N . 10128 1 925 . 1 1 80 80 TYR H H 1 9.308 0.030 . 1 . . . . 80 TYR H . 10128 1 926 . 1 1 80 80 TYR HA H 1 4.437 0.030 . 1 . . . . 80 TYR HA . 10128 1 927 . 1 1 80 80 TYR HB2 H 1 3.275 0.030 . 2 . . . . 80 TYR HB2 . 10128 1 928 . 1 1 80 80 TYR HB3 H 1 2.744 0.030 . 2 . . . . 80 TYR HB3 . 10128 1 929 . 1 1 80 80 TYR HD1 H 1 6.951 0.030 . 1 . . . . 80 TYR HD1 . 10128 1 930 . 1 1 80 80 TYR HD2 H 1 6.951 0.030 . 1 . . . . 80 TYR HD2 . 10128 1 931 . 1 1 80 80 TYR HE1 H 1 6.777 0.030 . 1 . . . . 80 TYR HE1 . 10128 1 932 . 1 1 80 80 TYR HE2 H 1 6.777 0.030 . 1 . . . . 80 TYR HE2 . 10128 1 933 . 1 1 80 80 TYR C C 13 173.808 0.300 . 1 . . . . 80 TYR C . 10128 1 934 . 1 1 80 80 TYR CA C 13 58.973 0.300 . 1 . . . . 80 TYR CA . 10128 1 935 . 1 1 80 80 TYR CB C 13 43.812 0.300 . 1 . . . . 80 TYR CB . 10128 1 936 . 1 1 80 80 TYR CD1 C 13 132.844 0.300 . 1 . . . . 80 TYR CD1 . 10128 1 937 . 1 1 80 80 TYR CD2 C 13 132.844 0.300 . 1 . . . . 80 TYR CD2 . 10128 1 938 . 1 1 80 80 TYR CE1 C 13 118.359 0.300 . 1 . . . . 80 TYR CE1 . 10128 1 939 . 1 1 80 80 TYR CE2 C 13 118.359 0.300 . 1 . . . . 80 TYR CE2 . 10128 1 940 . 1 1 80 80 TYR N N 15 126.487 0.300 . 1 . . . . 80 TYR N . 10128 1 941 . 1 1 81 81 THR H H 1 7.721 0.030 . 1 . . . . 81 THR H . 10128 1 942 . 1 1 81 81 THR HA H 1 4.645 0.030 . 1 . . . . 81 THR HA . 10128 1 943 . 1 1 81 81 THR HB H 1 3.680 0.030 . 1 . . . . 81 THR HB . 10128 1 944 . 1 1 81 81 THR HG21 H 1 0.824 0.030 . 1 . . . . 81 THR HG2 . 10128 1 945 . 1 1 81 81 THR HG22 H 1 0.824 0.030 . 1 . . . . 81 THR HG2 . 10128 1 946 . 1 1 81 81 THR HG23 H 1 0.824 0.030 . 1 . . . . 81 THR HG2 . 10128 1 947 . 1 1 81 81 THR C C 13 172.500 0.300 . 1 . . . . 81 THR C . 10128 1 948 . 1 1 81 81 THR CA C 13 62.389 0.300 . 1 . . . . 81 THR CA . 10128 1 949 . 1 1 81 81 THR CB C 13 69.035 0.300 . 1 . . . . 81 THR CB . 10128 1 950 . 1 1 81 81 THR CG2 C 13 21.619 0.300 . 1 . . . . 81 THR CG2 . 10128 1 951 . 1 1 81 81 THR N N 15 124.056 0.300 . 1 . . . . 81 THR N . 10128 1 952 . 1 1 82 82 LEU H H 1 8.655 0.030 . 1 . . . . 82 LEU H . 10128 1 953 . 1 1 82 82 LEU HA H 1 4.253 0.030 . 1 . . . . 82 LEU HA . 10128 1 954 . 1 1 82 82 LEU HB2 H 1 1.572 0.030 . 2 . . . . 82 LEU HB2 . 10128 1 955 . 1 1 82 82 LEU HB3 H 1 0.842 0.030 . 2 . . . . 82 LEU HB3 . 10128 1 956 . 1 1 82 82 LEU HG H 1 1.476 0.030 . 1 . . . . 82 LEU HG . 10128 1 957 . 1 1 82 82 LEU HD11 H 1 0.343 0.030 . 1 . . . . 82 LEU HD1 . 10128 1 958 . 1 1 82 82 LEU HD12 H 1 0.343 0.030 . 1 . . . . 82 LEU HD1 . 10128 1 959 . 1 1 82 82 LEU HD13 H 1 0.343 0.030 . 1 . . . . 82 LEU HD1 . 10128 1 960 . 1 1 82 82 LEU HD21 H 1 0.396 0.030 . 1 . . . . 82 LEU HD2 . 10128 1 961 . 1 1 82 82 LEU HD22 H 1 0.396 0.030 . 1 . . . . 82 LEU HD2 . 10128 1 962 . 1 1 82 82 LEU HD23 H 1 0.396 0.030 . 1 . . . . 82 LEU HD2 . 10128 1 963 . 1 1 82 82 LEU C C 13 174.082 0.300 . 1 . . . . 82 LEU C . 10128 1 964 . 1 1 82 82 LEU CA C 13 53.837 0.300 . 1 . . . . 82 LEU CA . 10128 1 965 . 1 1 82 82 LEU CB C 13 42.913 0.300 . 1 . . . . 82 LEU CB . 10128 1 966 . 1 1 82 82 LEU CG C 13 26.186 0.300 . 1 . . . . 82 LEU CG . 10128 1 967 . 1 1 82 82 LEU CD1 C 13 25.396 0.300 . 2 . . . . 82 LEU CD1 . 10128 1 968 . 1 1 82 82 LEU CD2 C 13 23.078 0.300 . 2 . . . . 82 LEU CD2 . 10128 1 969 . 1 1 82 82 LEU N N 15 128.752 0.300 . 1 . . . . 82 LEU N . 10128 1 970 . 1 1 83 83 ASP H H 1 8.068 0.030 . 1 . . . . 83 ASP H . 10128 1 971 . 1 1 83 83 ASP HA H 1 5.124 0.030 . 1 . . . . 83 ASP HA . 10128 1 972 . 1 1 83 83 ASP HB2 H 1 2.488 0.030 . 1 . . . . 83 ASP HB2 . 10128 1 973 . 1 1 83 83 ASP HB3 H 1 2.488 0.030 . 1 . . . . 83 ASP HB3 . 10128 1 974 . 1 1 83 83 ASP C C 13 174.982 0.300 . 1 . . . . 83 ASP C . 10128 1 975 . 1 1 83 83 ASP CA C 13 51.412 0.300 . 1 . . . . 83 ASP CA . 10128 1 976 . 1 1 83 83 ASP CB C 13 43.983 0.300 . 1 . . . . 83 ASP CB . 10128 1 977 . 1 1 83 83 ASP N N 15 123.801 0.300 . 1 . . . . 83 ASP N . 10128 1 978 . 1 1 84 84 ASN H H 1 8.956 0.030 . 1 . . . . 84 ASN H . 10128 1 979 . 1 1 84 84 ASN HA H 1 4.210 0.030 . 1 . . . . 84 ASN HA . 10128 1 980 . 1 1 84 84 ASN HB2 H 1 2.993 0.030 . 2 . . . . 84 ASN HB2 . 10128 1 981 . 1 1 84 84 ASN HB3 H 1 2.803 0.030 . 2 . . . . 84 ASN HB3 . 10128 1 982 . 1 1 84 84 ASN HD21 H 1 7.573 0.030 . 2 . . . . 84 ASN HD21 . 10128 1 983 . 1 1 84 84 ASN HD22 H 1 6.855 0.030 . 2 . . . . 84 ASN HD22 . 10128 1 984 . 1 1 84 84 ASN C C 13 174.915 0.300 . 1 . . . . 84 ASN C . 10128 1 985 . 1 1 84 84 ASN CA C 13 54.611 0.300 . 1 . . . . 84 ASN CA . 10128 1 986 . 1 1 84 84 ASN CB C 13 37.485 0.300 . 1 . . . . 84 ASN CB . 10128 1 987 . 1 1 84 84 ASN N N 15 112.673 0.300 . 1 . . . . 84 ASN N . 10128 1 988 . 1 1 84 84 ASN ND2 N 15 114.150 0.300 . 1 . . . . 84 ASN ND2 . 10128 1 989 . 1 1 85 85 LEU H H 1 8.498 0.030 . 1 . . . . 85 LEU H . 10128 1 990 . 1 1 85 85 LEU HA H 1 4.253 0.030 . 1 . . . . 85 LEU HA . 10128 1 991 . 1 1 85 85 LEU HB2 H 1 1.287 0.030 . 2 . . . . 85 LEU HB2 . 10128 1 992 . 1 1 85 85 LEU HB3 H 1 0.998 0.030 . 2 . . . . 85 LEU HB3 . 10128 1 993 . 1 1 85 85 LEU HG H 1 0.979 0.030 . 1 . . . . 85 LEU HG . 10128 1 994 . 1 1 85 85 LEU HD11 H 1 -0.097 0.030 . 1 . . . . 85 LEU HD1 . 10128 1 995 . 1 1 85 85 LEU HD12 H 1 -0.097 0.030 . 1 . . . . 85 LEU HD1 . 10128 1 996 . 1 1 85 85 LEU HD13 H 1 -0.097 0.030 . 1 . . . . 85 LEU HD1 . 10128 1 997 . 1 1 85 85 LEU HD21 H 1 0.011 0.030 . 1 . . . . 85 LEU HD2 . 10128 1 998 . 1 1 85 85 LEU HD22 H 1 0.011 0.030 . 1 . . . . 85 LEU HD2 . 10128 1 999 . 1 1 85 85 LEU HD23 H 1 0.011 0.030 . 1 . . . . 85 LEU HD2 . 10128 1 1000 . 1 1 85 85 LEU C C 13 176.222 0.300 . 1 . . . . 85 LEU C . 10128 1 1001 . 1 1 85 85 LEU CA C 13 53.403 0.300 . 1 . . . . 85 LEU CA . 10128 1 1002 . 1 1 85 85 LEU CB C 13 41.320 0.300 . 1 . . . . 85 LEU CB . 10128 1 1003 . 1 1 85 85 LEU CG C 13 25.861 0.300 . 1 . . . . 85 LEU CG . 10128 1 1004 . 1 1 85 85 LEU CD1 C 13 25.382 0.300 . 2 . . . . 85 LEU CD1 . 10128 1 1005 . 1 1 85 85 LEU CD2 C 13 20.335 0.300 . 2 . . . . 85 LEU CD2 . 10128 1 1006 . 1 1 85 85 LEU N N 15 117.540 0.300 . 1 . . . . 85 LEU N . 10128 1 1007 . 1 1 86 86 LYS H H 1 8.322 0.030 . 1 . . . . 86 LYS H . 10128 1 1008 . 1 1 86 86 LYS HA H 1 4.200 0.030 . 1 . . . . 86 LYS HA . 10128 1 1009 . 1 1 86 86 LYS HB2 H 1 1.810 0.030 . 2 . . . . 86 LYS HB2 . 10128 1 1010 . 1 1 86 86 LYS HB3 H 1 1.676 0.030 . 2 . . . . 86 LYS HB3 . 10128 1 1011 . 1 1 86 86 LYS HG2 H 1 1.455 0.030 . 2 . . . . 86 LYS HG2 . 10128 1 1012 . 1 1 86 86 LYS HG3 H 1 1.563 0.030 . 2 . . . . 86 LYS HG3 . 10128 1 1013 . 1 1 86 86 LYS HD2 H 1 1.616 0.030 . 1 . . . . 86 LYS HD2 . 10128 1 1014 . 1 1 86 86 LYS HD3 H 1 1.616 0.030 . 1 . . . . 86 LYS HD3 . 10128 1 1015 . 1 1 86 86 LYS HE2 H 1 2.979 0.030 . 1 . . . . 86 LYS HE2 . 10128 1 1016 . 1 1 86 86 LYS HE3 H 1 2.979 0.030 . 1 . . . . 86 LYS HE3 . 10128 1 1017 . 1 1 86 86 LYS C C 13 175.931 0.300 . 1 . . . . 86 LYS C . 10128 1 1018 . 1 1 86 86 LYS CA C 13 56.698 0.300 . 1 . . . . 86 LYS CA . 10128 1 1019 . 1 1 86 86 LYS CB C 13 33.827 0.300 . 1 . . . . 86 LYS CB . 10128 1 1020 . 1 1 86 86 LYS CG C 13 25.786 0.300 . 1 . . . . 86 LYS CG . 10128 1 1021 . 1 1 86 86 LYS CD C 13 29.663 0.300 . 1 . . . . 86 LYS CD . 10128 1 1022 . 1 1 86 86 LYS CE C 13 42.258 0.300 . 1 . . . . 86 LYS CE . 10128 1 1023 . 1 1 86 86 LYS N N 15 119.265 0.300 . 1 . . . . 86 LYS N . 10128 1 1024 . 1 1 87 87 LYS H H 1 8.002 0.030 . 1 . . . . 87 LYS H . 10128 1 1025 . 1 1 87 87 LYS HA H 1 4.829 0.030 . 1 . . . . 87 LYS HA . 10128 1 1026 . 1 1 87 87 LYS HB2 H 1 1.649 0.030 . 2 . . . . 87 LYS HB2 . 10128 1 1027 . 1 1 87 87 LYS HB3 H 1 1.541 0.030 . 2 . . . . 87 LYS HB3 . 10128 1 1028 . 1 1 87 87 LYS HG2 H 1 1.229 0.030 . 2 . . . . 87 LYS HG2 . 10128 1 1029 . 1 1 87 87 LYS HG3 H 1 1.458 0.030 . 2 . . . . 87 LYS HG3 . 10128 1 1030 . 1 1 87 87 LYS HD2 H 1 1.657 0.030 . 2 . . . . 87 LYS HD2 . 10128 1 1031 . 1 1 87 87 LYS HD3 H 1 1.620 0.030 . 2 . . . . 87 LYS HD3 . 10128 1 1032 . 1 1 87 87 LYS HE2 H 1 2.920 0.030 . 1 . . . . 87 LYS HE2 . 10128 1 1033 . 1 1 87 87 LYS HE3 H 1 2.920 0.030 . 1 . . . . 87 LYS HE3 . 10128 1 1034 . 1 1 87 87 LYS C C 13 176.522 0.300 . 1 . . . . 87 LYS C . 10128 1 1035 . 1 1 87 87 LYS CA C 13 56.446 0.300 . 1 . . . . 87 LYS CA . 10128 1 1036 . 1 1 87 87 LYS CB C 13 33.289 0.300 . 1 . . . . 87 LYS CB . 10128 1 1037 . 1 1 87 87 LYS CG C 13 24.973 0.300 . 1 . . . . 87 LYS CG . 10128 1 1038 . 1 1 87 87 LYS CD C 13 29.857 0.300 . 1 . . . . 87 LYS CD . 10128 1 1039 . 1 1 87 87 LYS CE C 13 42.125 0.300 . 1 . . . . 87 LYS CE . 10128 1 1040 . 1 1 87 87 LYS N N 15 121.201 0.300 . 1 . . . . 87 LYS N . 10128 1 1041 . 1 1 88 88 PHE H H 1 7.844 0.030 . 1 . . . . 88 PHE H . 10128 1 1042 . 1 1 88 88 PHE HA H 1 4.348 0.030 . 1 . . . . 88 PHE HA . 10128 1 1043 . 1 1 88 88 PHE HB2 H 1 3.475 0.030 . 2 . . . . 88 PHE HB2 . 10128 1 1044 . 1 1 88 88 PHE HB3 H 1 2.843 0.030 . 2 . . . . 88 PHE HB3 . 10128 1 1045 . 1 1 88 88 PHE HD1 H 1 7.284 0.030 . 1 . . . . 88 PHE HD1 . 10128 1 1046 . 1 1 88 88 PHE HD2 H 1 7.284 0.030 . 1 . . . . 88 PHE HD2 . 10128 1 1047 . 1 1 88 88 PHE HE1 H 1 7.342 0.030 . 1 . . . . 88 PHE HE1 . 10128 1 1048 . 1 1 88 88 PHE HE2 H 1 7.342 0.030 . 1 . . . . 88 PHE HE2 . 10128 1 1049 . 1 1 88 88 PHE HZ H 1 7.248 0.030 . 1 . . . . 88 PHE HZ . 10128 1 1050 . 1 1 88 88 PHE C C 13 173.999 0.300 . 1 . . . . 88 PHE C . 10128 1 1051 . 1 1 88 88 PHE CA C 13 56.403 0.300 . 1 . . . . 88 PHE CA . 10128 1 1052 . 1 1 88 88 PHE CB C 13 37.959 0.300 . 1 . . . . 88 PHE CB . 10128 1 1053 . 1 1 88 88 PHE CD1 C 13 131.067 0.300 . 1 . . . . 88 PHE CD1 . 10128 1 1054 . 1 1 88 88 PHE CD2 C 13 131.067 0.300 . 1 . . . . 88 PHE CD2 . 10128 1 1055 . 1 1 88 88 PHE CE1 C 13 131.100 0.300 . 1 . . . . 88 PHE CE1 . 10128 1 1056 . 1 1 88 88 PHE CE2 C 13 131.100 0.300 . 1 . . . . 88 PHE CE2 . 10128 1 1057 . 1 1 88 88 PHE CZ C 13 129.161 0.300 . 1 . . . . 88 PHE CZ . 10128 1 1058 . 1 1 88 88 PHE N N 15 125.504 0.300 . 1 . . . . 88 PHE N . 10128 1 1059 . 1 1 89 89 ALA H H 1 8.097 0.030 . 1 . . . . 89 ALA H . 10128 1 1060 . 1 1 89 89 ALA HA H 1 4.579 0.030 . 1 . . . . 89 ALA HA . 10128 1 1061 . 1 1 89 89 ALA HB1 H 1 1.130 0.030 . 1 . . . . 89 ALA HB . 10128 1 1062 . 1 1 89 89 ALA HB2 H 1 1.130 0.030 . 1 . . . . 89 ALA HB . 10128 1 1063 . 1 1 89 89 ALA HB3 H 1 1.130 0.030 . 1 . . . . 89 ALA HB . 10128 1 1064 . 1 1 89 89 ALA C C 13 175.099 0.300 . 1 . . . . 89 ALA C . 10128 1 1065 . 1 1 89 89 ALA CA C 13 50.735 0.300 . 1 . . . . 89 ALA CA . 10128 1 1066 . 1 1 89 89 ALA CB C 13 22.899 0.300 . 1 . . . . 89 ALA CB . 10128 1 1067 . 1 1 89 89 ALA N N 15 122.627 0.300 . 1 . . . . 89 ALA N . 10128 1 1068 . 1 1 90 90 GLN H H 1 8.265 0.030 . 1 . . . . 90 GLN H . 10128 1 1069 . 1 1 90 90 GLN HA H 1 4.824 0.030 . 1 . . . . 90 GLN HA . 10128 1 1070 . 1 1 90 90 GLN HB2 H 1 1.938 0.030 . 2 . . . . 90 GLN HB2 . 10128 1 1071 . 1 1 90 90 GLN HB3 H 1 1.843 0.030 . 2 . . . . 90 GLN HB3 . 10128 1 1072 . 1 1 90 90 GLN HG2 H 1 2.163 0.030 . 2 . . . . 90 GLN HG2 . 10128 1 1073 . 1 1 90 90 GLN HG3 H 1 2.069 0.030 . 2 . . . . 90 GLN HG3 . 10128 1 1074 . 1 1 90 90 GLN HE21 H 1 7.298 0.030 . 2 . . . . 90 GLN HE21 . 10128 1 1075 . 1 1 90 90 GLN HE22 H 1 6.736 0.030 . 2 . . . . 90 GLN HE22 . 10128 1 1076 . 1 1 90 90 GLN C C 13 174.849 0.300 . 1 . . . . 90 GLN C . 10128 1 1077 . 1 1 90 90 GLN CA C 13 55.378 0.300 . 1 . . . . 90 GLN CA . 10128 1 1078 . 1 1 90 90 GLN CB C 13 31.067 0.300 . 1 . . . . 90 GLN CB . 10128 1 1079 . 1 1 90 90 GLN CG C 13 35.181 0.300 . 1 . . . . 90 GLN CG . 10128 1 1080 . 1 1 90 90 GLN N N 15 121.697 0.300 . 1 . . . . 90 GLN N . 10128 1 1081 . 1 1 90 90 GLN NE2 N 15 111.219 0.300 . 1 . . . . 90 GLN NE2 . 10128 1 1082 . 1 1 91 91 TYR H H 1 9.356 0.030 . 1 . . . . 91 TYR H . 10128 1 1083 . 1 1 91 91 TYR HA H 1 5.207 0.030 . 1 . . . . 91 TYR HA . 10128 1 1084 . 1 1 91 91 TYR HB2 H 1 2.668 0.030 . 2 . . . . 91 TYR HB2 . 10128 1 1085 . 1 1 91 91 TYR HB3 H 1 2.540 0.030 . 2 . . . . 91 TYR HB3 . 10128 1 1086 . 1 1 91 91 TYR HD1 H 1 7.034 0.030 . 1 . . . . 91 TYR HD1 . 10128 1 1087 . 1 1 91 91 TYR HD2 H 1 7.034 0.030 . 1 . . . . 91 TYR HD2 . 10128 1 1088 . 1 1 91 91 TYR HE1 H 1 6.920 0.030 . 1 . . . . 91 TYR HE1 . 10128 1 1089 . 1 1 91 91 TYR HE2 H 1 6.920 0.030 . 1 . . . . 91 TYR HE2 . 10128 1 1090 . 1 1 91 91 TYR C C 13 174.698 0.300 . 1 . . . . 91 TYR C . 10128 1 1091 . 1 1 91 91 TYR CA C 13 57.527 0.300 . 1 . . . . 91 TYR CA . 10128 1 1092 . 1 1 91 91 TYR CB C 13 42.558 0.300 . 1 . . . . 91 TYR CB . 10128 1 1093 . 1 1 91 91 TYR CD1 C 13 132.639 0.300 . 1 . . . . 91 TYR CD1 . 10128 1 1094 . 1 1 91 91 TYR CD2 C 13 132.639 0.300 . 1 . . . . 91 TYR CD2 . 10128 1 1095 . 1 1 91 91 TYR CE1 C 13 118.552 0.300 . 1 . . . . 91 TYR CE1 . 10128 1 1096 . 1 1 91 91 TYR CE2 C 13 118.552 0.300 . 1 . . . . 91 TYR CE2 . 10128 1 1097 . 1 1 91 91 TYR N N 15 125.877 0.300 . 1 . . . . 91 TYR N . 10128 1 1098 . 1 1 92 92 GLY H H 1 9.150 0.030 . 1 . . . . 92 GLY H . 10128 1 1099 . 1 1 92 92 GLY HA2 H 1 5.121 0.030 . 2 . . . . 92 GLY HA2 . 10128 1 1100 . 1 1 92 92 GLY HA3 H 1 3.585 0.030 . 2 . . . . 92 GLY HA3 . 10128 1 1101 . 1 1 92 92 GLY C C 13 174.174 0.300 . 1 . . . . 92 GLY C . 10128 1 1102 . 1 1 92 92 GLY CA C 13 44.552 0.300 . 1 . . . . 92 GLY CA . 10128 1 1103 . 1 1 92 92 GLY N N 15 107.538 0.300 . 1 . . . . 92 GLY N . 10128 1 1104 . 1 1 93 93 VAL H H 1 8.845 0.030 . 1 . . . . 93 VAL H . 10128 1 1105 . 1 1 93 93 VAL HA H 1 5.513 0.030 . 1 . . . . 93 VAL HA . 10128 1 1106 . 1 1 93 93 VAL HB H 1 1.825 0.030 . 1 . . . . 93 VAL HB . 10128 1 1107 . 1 1 93 93 VAL HG11 H 1 0.834 0.030 . 1 . . . . 93 VAL HG1 . 10128 1 1108 . 1 1 93 93 VAL HG12 H 1 0.834 0.030 . 1 . . . . 93 VAL HG1 . 10128 1 1109 . 1 1 93 93 VAL HG13 H 1 0.834 0.030 . 1 . . . . 93 VAL HG1 . 10128 1 1110 . 1 1 93 93 VAL HG21 H 1 0.763 0.030 . 1 . . . . 93 VAL HG2 . 10128 1 1111 . 1 1 93 93 VAL HG22 H 1 0.763 0.030 . 1 . . . . 93 VAL HG2 . 10128 1 1112 . 1 1 93 93 VAL HG23 H 1 0.763 0.030 . 1 . . . . 93 VAL HG2 . 10128 1 1113 . 1 1 93 93 VAL C C 13 175.798 0.300 . 1 . . . . 93 VAL C . 10128 1 1114 . 1 1 93 93 VAL CA C 13 60.848 0.300 . 1 . . . . 93 VAL CA . 10128 1 1115 . 1 1 93 93 VAL CB C 13 36.323 0.300 . 1 . . . . 93 VAL CB . 10128 1 1116 . 1 1 93 93 VAL CG1 C 13 21.605 0.300 . 2 . . . . 93 VAL CG1 . 10128 1 1117 . 1 1 93 93 VAL CG2 C 13 21.392 0.300 . 2 . . . . 93 VAL CG2 . 10128 1 1118 . 1 1 93 93 VAL N N 15 122.832 0.300 . 1 . . . . 93 VAL N . 10128 1 1119 . 1 1 94 94 VAL H H 1 9.136 0.030 . 1 . . . . 94 VAL H . 10128 1 1120 . 1 1 94 94 VAL HA H 1 4.351 0.030 . 1 . . . . 94 VAL HA . 10128 1 1121 . 1 1 94 94 VAL HB H 1 1.922 0.030 . 1 . . . . 94 VAL HB . 10128 1 1122 . 1 1 94 94 VAL HG11 H 1 0.790 0.030 . 1 . . . . 94 VAL HG1 . 10128 1 1123 . 1 1 94 94 VAL HG12 H 1 0.790 0.030 . 1 . . . . 94 VAL HG1 . 10128 1 1124 . 1 1 94 94 VAL HG13 H 1 0.790 0.030 . 1 . . . . 94 VAL HG1 . 10128 1 1125 . 1 1 94 94 VAL HG21 H 1 0.212 0.030 . 1 . . . . 94 VAL HG2 . 10128 1 1126 . 1 1 94 94 VAL HG22 H 1 0.212 0.030 . 1 . . . . 94 VAL HG2 . 10128 1 1127 . 1 1 94 94 VAL HG23 H 1 0.212 0.030 . 1 . . . . 94 VAL HG2 . 10128 1 1128 . 1 1 94 94 VAL C C 13 173.350 0.300 . 1 . . . . 94 VAL C . 10128 1 1129 . 1 1 94 94 VAL CA C 13 59.334 0.300 . 1 . . . . 94 VAL CA . 10128 1 1130 . 1 1 94 94 VAL CB C 13 35.595 0.300 . 1 . . . . 94 VAL CB . 10128 1 1131 . 1 1 94 94 VAL CG1 C 13 22.282 0.300 . 2 . . . . 94 VAL CG1 . 10128 1 1132 . 1 1 94 94 VAL CG2 C 13 16.759 0.300 . 2 . . . . 94 VAL CG2 . 10128 1 1133 . 1 1 94 94 VAL N N 15 120.692 0.300 . 1 . . . . 94 VAL N . 10128 1 1134 . 1 1 95 95 VAL H H 1 8.103 0.030 . 1 . . . . 95 VAL H . 10128 1 1135 . 1 1 95 95 VAL HA H 1 4.718 0.030 . 1 . . . . 95 VAL HA . 10128 1 1136 . 1 1 95 95 VAL HB H 1 1.078 0.030 . 1 . . . . 95 VAL HB . 10128 1 1137 . 1 1 95 95 VAL HG11 H 1 0.120 0.030 . 1 . . . . 95 VAL HG1 . 10128 1 1138 . 1 1 95 95 VAL HG12 H 1 0.120 0.030 . 1 . . . . 95 VAL HG1 . 10128 1 1139 . 1 1 95 95 VAL HG13 H 1 0.120 0.030 . 1 . . . . 95 VAL HG1 . 10128 1 1140 . 1 1 95 95 VAL HG21 H 1 -0.391 0.030 . 1 . . . . 95 VAL HG2 . 10128 1 1141 . 1 1 95 95 VAL HG22 H 1 -0.391 0.030 . 1 . . . . 95 VAL HG2 . 10128 1 1142 . 1 1 95 95 VAL HG23 H 1 -0.391 0.030 . 1 . . . . 95 VAL HG2 . 10128 1 1143 . 1 1 95 95 VAL C C 13 174.599 0.300 . 1 . . . . 95 VAL C . 10128 1 1144 . 1 1 95 95 VAL CA C 13 60.656 0.300 . 1 . . . . 95 VAL CA . 10128 1 1145 . 1 1 95 95 VAL CB C 13 34.341 0.300 . 1 . . . . 95 VAL CB . 10128 1 1146 . 1 1 95 95 VAL CG1 C 13 21.071 0.300 . 2 . . . . 95 VAL CG1 . 10128 1 1147 . 1 1 95 95 VAL CG2 C 13 20.576 0.300 . 2 . . . . 95 VAL CG2 . 10128 1 1148 . 1 1 95 95 VAL N N 15 119.400 0.300 . 1 . . . . 95 VAL N . 10128 1 1149 . 1 1 96 96 GLN H H 1 8.730 0.030 . 1 . . . . 96 GLN H . 10128 1 1150 . 1 1 96 96 GLN HA H 1 4.667 0.030 . 1 . . . . 96 GLN HA . 10128 1 1151 . 1 1 96 96 GLN HB2 H 1 1.971 0.030 . 2 . . . . 96 GLN HB2 . 10128 1 1152 . 1 1 96 96 GLN HB3 H 1 1.773 0.030 . 2 . . . . 96 GLN HB3 . 10128 1 1153 . 1 1 96 96 GLN HG2 H 1 2.285 0.030 . 2 . . . . 96 GLN HG2 . 10128 1 1154 . 1 1 96 96 GLN HG3 H 1 2.017 0.030 . 2 . . . . 96 GLN HG3 . 10128 1 1155 . 1 1 96 96 GLN HE21 H 1 7.490 0.030 . 2 . . . . 96 GLN HE21 . 10128 1 1156 . 1 1 96 96 GLN HE22 H 1 6.594 0.030 . 2 . . . . 96 GLN HE22 . 10128 1 1157 . 1 1 96 96 GLN C C 13 174.174 0.300 . 1 . . . . 96 GLN C . 10128 1 1158 . 1 1 96 96 GLN CA C 13 54.320 0.300 . 1 . . . . 96 GLN CA . 10128 1 1159 . 1 1 96 96 GLN CB C 13 32.702 0.300 . 1 . . . . 96 GLN CB . 10128 1 1160 . 1 1 96 96 GLN CG C 13 33.307 0.300 . 1 . . . . 96 GLN CG . 10128 1 1161 . 1 1 96 96 GLN N N 15 122.319 0.300 . 1 . . . . 96 GLN N . 10128 1 1162 . 1 1 96 96 GLN NE2 N 15 110.226 0.300 . 1 . . . . 96 GLN NE2 . 10128 1 1163 . 1 1 97 97 ALA H H 1 8.998 0.030 . 1 . . . . 97 ALA H . 10128 1 1164 . 1 1 97 97 ALA HA H 1 4.783 0.030 . 1 . . . . 97 ALA HA . 10128 1 1165 . 1 1 97 97 ALA HB1 H 1 1.326 0.030 . 1 . . . . 97 ALA HB . 10128 1 1166 . 1 1 97 97 ALA HB2 H 1 1.326 0.030 . 1 . . . . 97 ALA HB . 10128 1 1167 . 1 1 97 97 ALA HB3 H 1 1.326 0.030 . 1 . . . . 97 ALA HB . 10128 1 1168 . 1 1 97 97 ALA C C 13 175.774 0.300 . 1 . . . . 97 ALA C . 10128 1 1169 . 1 1 97 97 ALA CA C 13 50.677 0.300 . 1 . . . . 97 ALA CA . 10128 1 1170 . 1 1 97 97 ALA CB C 13 22.790 0.300 . 1 . . . . 97 ALA CB . 10128 1 1171 . 1 1 97 97 ALA N N 15 124.959 0.300 . 1 . . . . 97 ALA N . 10128 1 1172 . 1 1 98 98 PHE H H 1 8.166 0.030 . 1 . . . . 98 PHE H . 10128 1 1173 . 1 1 98 98 PHE HA H 1 5.433 0.030 . 1 . . . . 98 PHE HA . 10128 1 1174 . 1 1 98 98 PHE HB2 H 1 3.075 0.030 . 2 . . . . 98 PHE HB2 . 10128 1 1175 . 1 1 98 98 PHE HB3 H 1 2.833 0.030 . 2 . . . . 98 PHE HB3 . 10128 1 1176 . 1 1 98 98 PHE HD1 H 1 6.692 0.030 . 1 . . . . 98 PHE HD1 . 10128 1 1177 . 1 1 98 98 PHE HD2 H 1 6.692 0.030 . 1 . . . . 98 PHE HD2 . 10128 1 1178 . 1 1 98 98 PHE HE1 H 1 7.030 0.030 . 1 . . . . 98 PHE HE1 . 10128 1 1179 . 1 1 98 98 PHE HE2 H 1 7.030 0.030 . 1 . . . . 98 PHE HE2 . 10128 1 1180 . 1 1 98 98 PHE HZ H 1 7.090 0.030 . 1 . . . . 98 PHE HZ . 10128 1 1181 . 1 1 98 98 PHE C C 13 174.149 0.300 . 1 . . . . 98 PHE C . 10128 1 1182 . 1 1 98 98 PHE CA C 13 56.125 0.300 . 1 . . . . 98 PHE CA . 10128 1 1183 . 1 1 98 98 PHE CB C 13 42.834 0.300 . 1 . . . . 98 PHE CB . 10128 1 1184 . 1 1 98 98 PHE CD1 C 13 132.309 0.300 . 1 . . . . 98 PHE CD1 . 10128 1 1185 . 1 1 98 98 PHE CD2 C 13 132.309 0.300 . 1 . . . . 98 PHE CD2 . 10128 1 1186 . 1 1 98 98 PHE CE1 C 13 130.701 0.300 . 1 . . . . 98 PHE CE1 . 10128 1 1187 . 1 1 98 98 PHE CE2 C 13 130.701 0.300 . 1 . . . . 98 PHE CE2 . 10128 1 1188 . 1 1 98 98 PHE CZ C 13 129.417 0.300 . 1 . . . . 98 PHE CZ . 10128 1 1189 . 1 1 98 98 PHE N N 15 113.827 0.300 . 1 . . . . 98 PHE N . 10128 1 1190 . 1 1 99 99 ASN H H 1 8.749 0.030 . 1 . . . . 99 ASN H . 10128 1 1191 . 1 1 99 99 ASN HA H 1 4.644 0.030 . 1 . . . . 99 ASN HA . 10128 1 1192 . 1 1 99 99 ASN HB2 H 1 3.620 0.030 . 2 . . . . 99 ASN HB2 . 10128 1 1193 . 1 1 99 99 ASN HB3 H 1 2.596 0.030 . 2 . . . . 99 ASN HB3 . 10128 1 1194 . 1 1 99 99 ASN HD21 H 1 8.167 0.030 . 2 . . . . 99 ASN HD21 . 10128 1 1195 . 1 1 99 99 ASN HD22 H 1 6.600 0.030 . 2 . . . . 99 ASN HD22 . 10128 1 1196 . 1 1 99 99 ASN C C 13 175.540 0.300 . 1 . . . . 99 ASN C . 10128 1 1197 . 1 1 99 99 ASN CA C 13 51.436 0.300 . 1 . . . . 99 ASN CA . 10128 1 1198 . 1 1 99 99 ASN CB C 13 40.982 0.300 . 1 . . . . 99 ASN CB . 10128 1 1199 . 1 1 99 99 ASN N N 15 120.800 0.300 . 1 . . . . 99 ASN N . 10128 1 1200 . 1 1 99 99 ASN ND2 N 15 110.896 0.300 . 1 . . . . 99 ASN ND2 . 10128 1 1201 . 1 1 100 100 ARG H H 1 9.203 0.030 . 1 . . . . 100 ARG H . 10128 1 1202 . 1 1 100 100 ARG HA H 1 4.091 0.030 . 1 . . . . 100 ARG HA . 10128 1 1203 . 1 1 100 100 ARG HB2 H 1 1.848 0.030 . 1 . . . . 100 ARG HB2 . 10128 1 1204 . 1 1 100 100 ARG HB3 H 1 1.848 0.030 . 1 . . . . 100 ARG HB3 . 10128 1 1205 . 1 1 100 100 ARG HG2 H 1 1.744 0.030 . 1 . . . . 100 ARG HG2 . 10128 1 1206 . 1 1 100 100 ARG HG3 H 1 1.744 0.030 . 1 . . . . 100 ARG HG3 . 10128 1 1207 . 1 1 100 100 ARG HD2 H 1 3.186 0.030 . 1 . . . . 100 ARG HD2 . 10128 1 1208 . 1 1 100 100 ARG HD3 H 1 3.186 0.030 . 1 . . . . 100 ARG HD3 . 10128 1 1209 . 1 1 100 100 ARG HE H 1 7.391 0.030 . 1 . . . . 100 ARG HE . 10128 1 1210 . 1 1 100 100 ARG C C 13 176.522 0.300 . 1 . . . . 100 ARG C . 10128 1 1211 . 1 1 100 100 ARG CA C 13 59.336 0.300 . 1 . . . . 100 ARG CA . 10128 1 1212 . 1 1 100 100 ARG CB C 13 30.140 0.300 . 1 . . . . 100 ARG CB . 10128 1 1213 . 1 1 100 100 ARG CG C 13 27.686 0.300 . 1 . . . . 100 ARG CG . 10128 1 1214 . 1 1 100 100 ARG CD C 13 43.695 0.300 . 1 . . . . 100 ARG CD . 10128 1 1215 . 1 1 100 100 ARG N N 15 118.183 0.300 . 1 . . . . 100 ARG N . 10128 1 1216 . 1 1 100 100 ARG NE N 15 84.743 0.300 . 1 . . . . 100 ARG NE . 10128 1 1217 . 1 1 101 101 ALA H H 1 8.096 0.030 . 1 . . . . 101 ALA H . 10128 1 1218 . 1 1 101 101 ALA HA H 1 4.352 0.030 . 1 . . . . 101 ALA HA . 10128 1 1219 . 1 1 101 101 ALA HB1 H 1 1.173 0.030 . 1 . . . . 101 ALA HB . 10128 1 1220 . 1 1 101 101 ALA HB2 H 1 1.173 0.030 . 1 . . . . 101 ALA HB . 10128 1 1221 . 1 1 101 101 ALA HB3 H 1 1.173 0.030 . 1 . . . . 101 ALA HB . 10128 1 1222 . 1 1 101 101 ALA C C 13 177.805 0.300 . 1 . . . . 101 ALA C . 10128 1 1223 . 1 1 101 101 ALA CA C 13 52.646 0.300 . 1 . . . . 101 ALA CA . 10128 1 1224 . 1 1 101 101 ALA CB C 13 19.538 0.300 . 1 . . . . 101 ALA CB . 10128 1 1225 . 1 1 101 101 ALA N N 15 119.663 0.300 . 1 . . . . 101 ALA N . 10128 1 1226 . 1 1 102 102 GLY H H 1 7.638 0.030 . 1 . . . . 102 GLY H . 10128 1 1227 . 1 1 102 102 GLY HA2 H 1 4.460 0.030 . 2 . . . . 102 GLY HA2 . 10128 1 1228 . 1 1 102 102 GLY HA3 H 1 3.967 0.030 . 2 . . . . 102 GLY HA3 . 10128 1 1229 . 1 1 102 102 GLY C C 13 171.576 0.300 . 1 . . . . 102 GLY C . 10128 1 1230 . 1 1 102 102 GLY CA C 13 45.246 0.300 . 1 . . . . 102 GLY CA . 10128 1 1231 . 1 1 102 102 GLY N N 15 104.794 0.300 . 1 . . . . 102 GLY N . 10128 1 1232 . 1 1 103 103 THR H H 1 8.326 0.030 . 1 . . . . 103 THR H . 10128 1 1233 . 1 1 103 103 THR HA H 1 4.770 0.030 . 1 . . . . 103 THR HA . 10128 1 1234 . 1 1 103 103 THR HB H 1 4.013 0.030 . 1 . . . . 103 THR HB . 10128 1 1235 . 1 1 103 103 THR HG21 H 1 1.253 0.030 . 1 . . . . 103 THR HG2 . 10128 1 1236 . 1 1 103 103 THR HG22 H 1 1.253 0.030 . 1 . . . . 103 THR HG2 . 10128 1 1237 . 1 1 103 103 THR HG23 H 1 1.253 0.030 . 1 . . . . 103 THR HG2 . 10128 1 1238 . 1 1 103 103 THR C C 13 175.599 0.300 . 1 . . . . 103 THR C . 10128 1 1239 . 1 1 103 103 THR CA C 13 61.471 0.300 . 1 . . . . 103 THR CA . 10128 1 1240 . 1 1 103 103 THR CB C 13 70.129 0.300 . 1 . . . . 103 THR CB . 10128 1 1241 . 1 1 103 103 THR CG2 C 13 22.528 0.300 . 1 . . . . 103 THR CG2 . 10128 1 1242 . 1 1 103 103 THR N N 15 113.544 0.300 . 1 . . . . 103 THR N . 10128 1 1243 . 1 1 104 104 GLY H H 1 9.073 0.030 . 1 . . . . 104 GLY H . 10128 1 1244 . 1 1 104 104 GLY HA2 H 1 4.540 0.030 . 2 . . . . 104 GLY HA2 . 10128 1 1245 . 1 1 104 104 GLY HA3 H 1 3.774 0.030 . 2 . . . . 104 GLY HA3 . 10128 1 1246 . 1 1 104 104 GLY C C 13 170.969 0.300 . 1 . . . . 104 GLY C . 10128 1 1247 . 1 1 104 104 GLY CA C 13 45.381 0.300 . 1 . . . . 104 GLY CA . 10128 1 1248 . 1 1 104 104 GLY N N 15 112.572 0.300 . 1 . . . . 104 GLY N . 10128 1 1249 . 1 1 105 105 PRO HA H 1 4.511 0.030 . 1 . . . . 105 PRO HA . 10128 1 1250 . 1 1 105 105 PRO HB2 H 1 2.321 0.030 . 2 . . . . 105 PRO HB2 . 10128 1 1251 . 1 1 105 105 PRO HB3 H 1 1.722 0.030 . 2 . . . . 105 PRO HB3 . 10128 1 1252 . 1 1 105 105 PRO HG2 H 1 1.899 0.030 . 2 . . . . 105 PRO HG2 . 10128 1 1253 . 1 1 105 105 PRO HG3 H 1 1.447 0.030 . 2 . . . . 105 PRO HG3 . 10128 1 1254 . 1 1 105 105 PRO HD2 H 1 3.566 0.030 . 2 . . . . 105 PRO HD2 . 10128 1 1255 . 1 1 105 105 PRO HD3 H 1 3.066 0.030 . 2 . . . . 105 PRO HD3 . 10128 1 1256 . 1 1 105 105 PRO C C 13 177.403 0.300 . 1 . . . . 105 PRO C . 10128 1 1257 . 1 1 105 105 PRO CA C 13 62.113 0.300 . 1 . . . . 105 PRO CA . 10128 1 1258 . 1 1 105 105 PRO CB C 13 32.665 0.300 . 1 . . . . 105 PRO CB . 10128 1 1259 . 1 1 105 105 PRO CG C 13 26.784 0.300 . 1 . . . . 105 PRO CG . 10128 1 1260 . 1 1 105 105 PRO CD C 13 49.464 0.300 . 1 . . . . 105 PRO CD . 10128 1 1261 . 1 1 106 106 SER H H 1 8.563 0.030 . 1 . . . . 106 SER H . 10128 1 1262 . 1 1 106 106 SER HA H 1 4.855 0.030 . 1 . . . . 106 SER HA . 10128 1 1263 . 1 1 106 106 SER HB2 H 1 3.758 0.030 . 2 . . . . 106 SER HB2 . 10128 1 1264 . 1 1 106 106 SER HB3 H 1 3.721 0.030 . 2 . . . . 106 SER HB3 . 10128 1 1265 . 1 1 106 106 SER C C 13 176.181 0.300 . 1 . . . . 106 SER C . 10128 1 1266 . 1 1 106 106 SER CA C 13 57.398 0.300 . 1 . . . . 106 SER CA . 10128 1 1267 . 1 1 106 106 SER CB C 13 64.767 0.300 . 1 . . . . 106 SER CB . 10128 1 1268 . 1 1 106 106 SER N N 15 115.252 0.300 . 1 . . . . 106 SER N . 10128 1 1269 . 1 1 107 107 SER H H 1 8.843 0.030 . 1 . . . . 107 SER H . 10128 1 1270 . 1 1 107 107 SER HA H 1 4.249 0.030 . 1 . . . . 107 SER HA . 10128 1 1271 . 1 1 107 107 SER HB2 H 1 3.793 0.030 . 2 . . . . 107 SER HB2 . 10128 1 1272 . 1 1 107 107 SER HB3 H 1 4.248 0.030 . 2 . . . . 107 SER HB3 . 10128 1 1273 . 1 1 107 107 SER C C 13 174.141 0.300 . 1 . . . . 107 SER C . 10128 1 1274 . 1 1 107 107 SER CA C 13 58.741 0.300 . 1 . . . . 107 SER CA . 10128 1 1275 . 1 1 107 107 SER CB C 13 63.953 0.300 . 1 . . . . 107 SER CB . 10128 1 1276 . 1 1 107 107 SER N N 15 117.438 0.300 . 1 . . . . 107 SER N . 10128 1 1277 . 1 1 108 108 SER H H 1 8.675 0.030 . 1 . . . . 108 SER H . 10128 1 1278 . 1 1 108 108 SER HA H 1 4.329 0.030 . 1 . . . . 108 SER HA . 10128 1 1279 . 1 1 108 108 SER HB2 H 1 3.934 0.030 . 2 . . . . 108 SER HB2 . 10128 1 1280 . 1 1 108 108 SER HB3 H 1 3.835 0.030 . 2 . . . . 108 SER HB3 . 10128 1 1281 . 1 1 108 108 SER C C 13 175.465 0.300 . 1 . . . . 108 SER C . 10128 1 1282 . 1 1 108 108 SER CA C 13 59.036 0.300 . 1 . . . . 108 SER CA . 10128 1 1283 . 1 1 108 108 SER CB C 13 63.005 0.300 . 1 . . . . 108 SER CB . 10128 1 1284 . 1 1 108 108 SER N N 15 117.030 0.300 . 1 . . . . 108 SER N . 10128 1 1285 . 1 1 109 109 GLU H H 1 8.870 0.030 . 1 . . . . 109 GLU H . 10128 1 1286 . 1 1 109 109 GLU HA H 1 4.083 0.030 . 1 . . . . 109 GLU HA . 10128 1 1287 . 1 1 109 109 GLU HB2 H 1 1.941 0.030 . 2 . . . . 109 GLU HB2 . 10128 1 1288 . 1 1 109 109 GLU HB3 H 1 1.833 0.030 . 2 . . . . 109 GLU HB3 . 10128 1 1289 . 1 1 109 109 GLU HG2 H 1 2.084 0.030 . 2 . . . . 109 GLU HG2 . 10128 1 1290 . 1 1 109 109 GLU HG3 H 1 1.960 0.030 . 2 . . . . 109 GLU HG3 . 10128 1 1291 . 1 1 109 109 GLU C C 13 175.390 0.300 . 1 . . . . 109 GLU C . 10128 1 1292 . 1 1 109 109 GLU CA C 13 58.567 0.300 . 1 . . . . 109 GLU CA . 10128 1 1293 . 1 1 109 109 GLU CB C 13 30.651 0.300 . 1 . . . . 109 GLU CB . 10128 1 1294 . 1 1 109 109 GLU CG C 13 37.798 0.300 . 1 . . . . 109 GLU CG . 10128 1 1295 . 1 1 109 109 GLU N N 15 128.624 0.300 . 1 . . . . 109 GLU N . 10128 1 1296 . 1 1 110 110 ILE H H 1 7.926 0.030 . 1 . . . . 110 ILE H . 10128 1 1297 . 1 1 110 110 ILE HA H 1 4.565 0.030 . 1 . . . . 110 ILE HA . 10128 1 1298 . 1 1 110 110 ILE HB H 1 1.768 0.030 . 1 . . . . 110 ILE HB . 10128 1 1299 . 1 1 110 110 ILE HG12 H 1 1.510 0.030 . 2 . . . . 110 ILE HG12 . 10128 1 1300 . 1 1 110 110 ILE HG13 H 1 1.266 0.030 . 2 . . . . 110 ILE HG13 . 10128 1 1301 . 1 1 110 110 ILE HG21 H 1 1.057 0.030 . 1 . . . . 110 ILE HG2 . 10128 1 1302 . 1 1 110 110 ILE HG22 H 1 1.057 0.030 . 1 . . . . 110 ILE HG2 . 10128 1 1303 . 1 1 110 110 ILE HG23 H 1 1.057 0.030 . 1 . . . . 110 ILE HG2 . 10128 1 1304 . 1 1 110 110 ILE HD11 H 1 0.880 0.030 . 1 . . . . 110 ILE HD1 . 10128 1 1305 . 1 1 110 110 ILE HD12 H 1 0.880 0.030 . 1 . . . . 110 ILE HD1 . 10128 1 1306 . 1 1 110 110 ILE HD13 H 1 0.880 0.030 . 1 . . . . 110 ILE HD1 . 10128 1 1307 . 1 1 110 110 ILE C C 13 173.957 0.300 . 1 . . . . 110 ILE C . 10128 1 1308 . 1 1 110 110 ILE CA C 13 59.413 0.300 . 1 . . . . 110 ILE CA . 10128 1 1309 . 1 1 110 110 ILE CB C 13 41.243 0.300 . 1 . . . . 110 ILE CB . 10128 1 1310 . 1 1 110 110 ILE CG1 C 13 26.231 0.300 . 1 . . . . 110 ILE CG1 . 10128 1 1311 . 1 1 110 110 ILE CG2 C 13 18.242 0.300 . 1 . . . . 110 ILE CG2 . 10128 1 1312 . 1 1 110 110 ILE CD1 C 13 14.059 0.300 . 1 . . . . 110 ILE CD1 . 10128 1 1313 . 1 1 110 110 ILE N N 15 126.217 0.300 . 1 . . . . 110 ILE N . 10128 1 1314 . 1 1 111 111 ASN H H 1 8.440 0.030 . 1 . . . . 111 ASN H . 10128 1 1315 . 1 1 111 111 ASN HA H 1 6.343 0.030 . 1 . . . . 111 ASN HA . 10128 1 1316 . 1 1 111 111 ASN HB2 H 1 2.535 0.030 . 2 . . . . 111 ASN HB2 . 10128 1 1317 . 1 1 111 111 ASN HB3 H 1 2.395 0.030 . 2 . . . . 111 ASN HB3 . 10128 1 1318 . 1 1 111 111 ASN HD21 H 1 7.041 0.030 . 2 . . . . 111 ASN HD21 . 10128 1 1319 . 1 1 111 111 ASN HD22 H 1 6.768 0.030 . 2 . . . . 111 ASN HD22 . 10128 1 1320 . 1 1 111 111 ASN C C 13 175.806 0.300 . 1 . . . . 111 ASN C . 10128 1 1321 . 1 1 111 111 ASN CA C 13 52.204 0.300 . 1 . . . . 111 ASN CA . 10128 1 1322 . 1 1 111 111 ASN CB C 13 43.048 0.300 . 1 . . . . 111 ASN CB . 10128 1 1323 . 1 1 111 111 ASN N N 15 120.469 0.300 . 1 . . . . 111 ASN N . 10128 1 1324 . 1 1 111 111 ASN ND2 N 15 110.573 0.300 . 1 . . . . 111 ASN ND2 . 10128 1 1325 . 1 1 112 112 ALA H H 1 9.072 0.030 . 1 . . . . 112 ALA H . 10128 1 1326 . 1 1 112 112 ALA HA H 1 4.664 0.030 . 1 . . . . 112 ALA HA . 10128 1 1327 . 1 1 112 112 ALA HB1 H 1 1.366 0.030 . 1 . . . . 112 ALA HB . 10128 1 1328 . 1 1 112 112 ALA HB2 H 1 1.366 0.030 . 1 . . . . 112 ALA HB . 10128 1 1329 . 1 1 112 112 ALA HB3 H 1 1.366 0.030 . 1 . . . . 112 ALA HB . 10128 1 1330 . 1 1 112 112 ALA C C 13 174.740 0.300 . 1 . . . . 112 ALA C . 10128 1 1331 . 1 1 112 112 ALA CA C 13 52.058 0.300 . 1 . . . . 112 ALA CA . 10128 1 1332 . 1 1 112 112 ALA CB C 13 23.534 0.300 . 1 . . . . 112 ALA CB . 10128 1 1333 . 1 1 112 112 ALA N N 15 121.071 0.300 . 1 . . . . 112 ALA N . 10128 1 1334 . 1 1 113 113 THR H H 1 8.412 0.030 . 1 . . . . 113 THR H . 10128 1 1335 . 1 1 113 113 THR HA H 1 5.383 0.030 . 1 . . . . 113 THR HA . 10128 1 1336 . 1 1 113 113 THR HB H 1 3.907 0.030 . 1 . . . . 113 THR HB . 10128 1 1337 . 1 1 113 113 THR HG21 H 1 1.104 0.030 . 1 . . . . 113 THR HG2 . 10128 1 1338 . 1 1 113 113 THR HG22 H 1 1.104 0.030 . 1 . . . . 113 THR HG2 . 10128 1 1339 . 1 1 113 113 THR HG23 H 1 1.104 0.030 . 1 . . . . 113 THR HG2 . 10128 1 1340 . 1 1 113 113 THR C C 13 175.173 0.300 . 1 . . . . 113 THR C . 10128 1 1341 . 1 1 113 113 THR CA C 13 60.522 0.300 . 1 . . . . 113 THR CA . 10128 1 1342 . 1 1 113 113 THR CB C 13 70.763 0.300 . 1 . . . . 113 THR CB . 10128 1 1343 . 1 1 113 113 THR CG2 C 13 20.609 0.300 . 1 . . . . 113 THR CG2 . 10128 1 1344 . 1 1 113 113 THR N N 15 116.135 0.300 . 1 . . . . 113 THR N . 10128 1 1345 . 1 1 114 114 THR H H 1 8.899 0.030 . 1 . . . . 114 THR H . 10128 1 1346 . 1 1 114 114 THR HA H 1 4.050 0.030 . 1 . . . . 114 THR HA . 10128 1 1347 . 1 1 114 114 THR HB H 1 4.644 0.030 . 1 . . . . 114 THR HB . 10128 1 1348 . 1 1 114 114 THR HG21 H 1 1.214 0.030 . 1 . . . . 114 THR HG2 . 10128 1 1349 . 1 1 114 114 THR HG22 H 1 1.214 0.030 . 1 . . . . 114 THR HG2 . 10128 1 1350 . 1 1 114 114 THR HG23 H 1 1.214 0.030 . 1 . . . . 114 THR HG2 . 10128 1 1351 . 1 1 114 114 THR C C 13 174.200 0.300 . 1 . . . . 114 THR C . 10128 1 1352 . 1 1 114 114 THR CA C 13 62.109 0.300 . 1 . . . . 114 THR CA . 10128 1 1353 . 1 1 114 114 THR CB C 13 68.929 0.300 . 1 . . . . 114 THR CB . 10128 1 1354 . 1 1 114 114 THR CG2 C 13 24.162 0.300 . 1 . . . . 114 THR CG2 . 10128 1 1355 . 1 1 114 114 THR N N 15 114.829 0.300 . 1 . . . . 114 THR N . 10128 1 1356 . 1 1 115 115 LEU H H 1 6.980 0.030 . 1 . . . . 115 LEU H . 10128 1 1357 . 1 1 115 115 LEU HA H 1 4.232 0.030 . 1 . . . . 115 LEU HA . 10128 1 1358 . 1 1 115 115 LEU HB2 H 1 1.607 0.030 . 2 . . . . 115 LEU HB2 . 10128 1 1359 . 1 1 115 115 LEU HB3 H 1 1.243 0.030 . 2 . . . . 115 LEU HB3 . 10128 1 1360 . 1 1 115 115 LEU HG H 1 1.415 0.030 . 1 . . . . 115 LEU HG . 10128 1 1361 . 1 1 115 115 LEU HD11 H 1 0.758 0.030 . 1 . . . . 115 LEU HD1 . 10128 1 1362 . 1 1 115 115 LEU HD12 H 1 0.758 0.030 . 1 . . . . 115 LEU HD1 . 10128 1 1363 . 1 1 115 115 LEU HD13 H 1 0.758 0.030 . 1 . . . . 115 LEU HD1 . 10128 1 1364 . 1 1 115 115 LEU HD21 H 1 0.869 0.030 . 1 . . . . 115 LEU HD2 . 10128 1 1365 . 1 1 115 115 LEU HD22 H 1 0.869 0.030 . 1 . . . . 115 LEU HD2 . 10128 1 1366 . 1 1 115 115 LEU HD23 H 1 0.869 0.030 . 1 . . . . 115 LEU HD2 . 10128 1 1367 . 1 1 115 115 LEU C C 13 176.414 0.300 . 1 . . . . 115 LEU C . 10128 1 1368 . 1 1 115 115 LEU CA C 13 55.418 0.300 . 1 . . . . 115 LEU CA . 10128 1 1369 . 1 1 115 115 LEU CB C 13 42.362 0.300 . 1 . . . . 115 LEU CB . 10128 1 1370 . 1 1 115 115 LEU CG C 13 27.433 0.300 . 1 . . . . 115 LEU CG . 10128 1 1371 . 1 1 115 115 LEU CD1 C 13 25.452 0.300 . 2 . . . . 115 LEU CD1 . 10128 1 1372 . 1 1 115 115 LEU CD2 C 13 22.936 0.300 . 2 . . . . 115 LEU CD2 . 10128 1 1373 . 1 1 115 115 LEU N N 15 116.399 0.300 . 1 . . . . 115 LEU N . 10128 1 1374 . 1 1 116 116 GLU H H 1 8.194 0.030 . 1 . . . . 116 GLU H . 10128 1 1375 . 1 1 116 116 GLU HA H 1 4.025 0.030 . 1 . . . . 116 GLU HA . 10128 1 1376 . 1 1 116 116 GLU HB2 H 1 1.754 0.030 . 2 . . . . 116 GLU HB2 . 10128 1 1377 . 1 1 116 116 GLU HB3 H 1 1.542 0.030 . 2 . . . . 116 GLU HB3 . 10128 1 1378 . 1 1 116 116 GLU HG2 H 1 1.858 0.030 . 1 . . . . 116 GLU HG2 . 10128 1 1379 . 1 1 116 116 GLU HG3 H 1 1.858 0.030 . 1 . . . . 116 GLU HG3 . 10128 1 1380 . 1 1 116 116 GLU C C 13 176.498 0.300 . 1 . . . . 116 GLU C . 10128 1 1381 . 1 1 116 116 GLU CA C 13 56.871 0.300 . 1 . . . . 116 GLU CA . 10128 1 1382 . 1 1 116 116 GLU CB C 13 30.468 0.300 . 1 . . . . 116 GLU CB . 10128 1 1383 . 1 1 116 116 GLU CG C 13 36.238 0.300 . 1 . . . . 116 GLU CG . 10128 1 1384 . 1 1 116 116 GLU N N 15 118.691 0.300 . 1 . . . . 116 GLU N . 10128 1 1385 . 1 1 117 117 SER H H 1 8.125 0.030 . 1 . . . . 117 SER H . 10128 1 1386 . 1 1 117 117 SER HA H 1 4.463 0.030 . 1 . . . . 117 SER HA . 10128 1 1387 . 1 1 117 117 SER HB2 H 1 3.820 0.030 . 1 . . . . 117 SER HB2 . 10128 1 1388 . 1 1 117 117 SER HB3 H 1 3.820 0.030 . 1 . . . . 117 SER HB3 . 10128 1 1389 . 1 1 117 117 SER C C 13 174.391 0.300 . 1 . . . . 117 SER C . 10128 1 1390 . 1 1 117 117 SER CA C 13 57.975 0.300 . 1 . . . . 117 SER CA . 10128 1 1391 . 1 1 117 117 SER CB C 13 64.292 0.300 . 1 . . . . 117 SER CB . 10128 1 1392 . 1 1 117 117 SER N N 15 115.323 0.300 . 1 . . . . 117 SER N . 10128 1 1393 . 1 1 118 118 GLY H H 1 8.299 0.030 . 1 . . . . 118 GLY H . 10128 1 1394 . 1 1 118 118 GLY HA2 H 1 4.209 0.030 . 2 . . . . 118 GLY HA2 . 10128 1 1395 . 1 1 118 118 GLY HA3 H 1 4.083 0.030 . 2 . . . . 118 GLY HA3 . 10128 1 1396 . 1 1 118 118 GLY C C 13 171.745 0.300 . 1 . . . . 118 GLY C . 10128 1 1397 . 1 1 118 118 GLY CA C 13 44.716 0.300 . 1 . . . . 118 GLY CA . 10128 1 1398 . 1 1 118 118 GLY N N 15 110.684 0.300 . 1 . . . . 118 GLY N . 10128 1 1399 . 1 1 119 119 PRO HA H 1 4.478 0.030 . 1 . . . . 119 PRO HA . 10128 1 1400 . 1 1 119 119 PRO HB2 H 1 2.297 0.030 . 2 . . . . 119 PRO HB2 . 10128 1 1401 . 1 1 119 119 PRO HB3 H 1 1.973 0.030 . 2 . . . . 119 PRO HB3 . 10128 1 1402 . 1 1 119 119 PRO HG2 H 1 2.017 0.030 . 1 . . . . 119 PRO HG2 . 10128 1 1403 . 1 1 119 119 PRO HG3 H 1 2.017 0.030 . 1 . . . . 119 PRO HG3 . 10128 1 1404 . 1 1 119 119 PRO HD2 H 1 3.622 0.030 . 1 . . . . 119 PRO HD2 . 10128 1 1405 . 1 1 119 119 PRO HD3 H 1 3.622 0.030 . 1 . . . . 119 PRO HD3 . 10128 1 1406 . 1 1 119 119 PRO C C 13 177.386 0.300 . 1 . . . . 119 PRO C . 10128 1 1407 . 1 1 119 119 PRO CA C 13 63.264 0.300 . 1 . . . . 119 PRO CA . 10128 1 1408 . 1 1 119 119 PRO CB C 13 32.248 0.300 . 1 . . . . 119 PRO CB . 10128 1 1409 . 1 1 119 119 PRO CG C 13 27.194 0.300 . 1 . . . . 119 PRO CG . 10128 1 1410 . 1 1 119 119 PRO CD C 13 49.824 0.300 . 1 . . . . 119 PRO CD . 10128 1 1411 . 1 1 120 120 SER H H 1 8.539 0.030 . 1 . . . . 120 SER H . 10128 1 1412 . 1 1 120 120 SER HA H 1 4.506 0.030 . 1 . . . . 120 SER HA . 10128 1 1413 . 1 1 120 120 SER HB2 H 1 3.914 0.030 . 1 . . . . 120 SER HB2 . 10128 1 1414 . 1 1 120 120 SER HB3 H 1 3.914 0.030 . 1 . . . . 120 SER HB3 . 10128 1 1415 . 1 1 120 120 SER C C 13 174.657 0.300 . 1 . . . . 120 SER C . 10128 1 1416 . 1 1 120 120 SER CA C 13 58.350 0.300 . 1 . . . . 120 SER CA . 10128 1 1417 . 1 1 120 120 SER CB C 13 63.918 0.300 . 1 . . . . 120 SER CB . 10128 1 1418 . 1 1 120 120 SER N N 15 116.341 0.300 . 1 . . . . 120 SER N . 10128 1 1419 . 1 1 121 121 SER H H 1 8.329 0.030 . 1 . . . . 121 SER H . 10128 1 1420 . 1 1 121 121 SER HA H 1 4.499 0.030 . 1 . . . . 121 SER HA . 10128 1 1421 . 1 1 121 121 SER HB2 H 1 3.839 0.030 . 1 . . . . 121 SER HB2 . 10128 1 1422 . 1 1 121 121 SER HB3 H 1 3.839 0.030 . 1 . . . . 121 SER HB3 . 10128 1 1423 . 1 1 121 121 SER C C 13 173.941 0.300 . 1 . . . . 121 SER C . 10128 1 1424 . 1 1 121 121 SER CA C 13 58.398 0.300 . 1 . . . . 121 SER CA . 10128 1 1425 . 1 1 121 121 SER CB C 13 64.055 0.300 . 1 . . . . 121 SER CB . 10128 1 1426 . 1 1 121 121 SER N N 15 117.797 0.300 . 1 . . . . 121 SER N . 10128 1 1427 . 1 1 122 122 GLY H H 1 8.059 0.030 . 1 . . . . 122 GLY H . 10128 1 1428 . 1 1 122 122 GLY HA2 H 1 3.783 0.030 . 1 . . . . 122 GLY HA2 . 10128 1 1429 . 1 1 122 122 GLY HA3 H 1 3.783 0.030 . 1 . . . . 122 GLY HA3 . 10128 1 1430 . 1 1 122 122 GLY C C 13 178.993 0.300 . 1 . . . . 122 GLY C . 10128 1 1431 . 1 1 122 122 GLY CA C 13 46.220 0.300 . 1 . . . . 122 GLY CA . 10128 1 1432 . 1 1 122 122 GLY N N 15 116.892 0.300 . 1 . . . . 122 GLY N . 10128 1 stop_ save_