data_28037 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28037 _Entry.Title ; 1H, 13C, 15N chemical shift assignments of FKBP12 protein from the pathogenic fungi Candida glabrata ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-05 _Entry.Accession_date 2019-11-05 _Entry.Last_release_date 2019-11-05 _Entry.Original_release_date 2019-11-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details '1H, 13C, 15N chemical shift assignments' _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.ORCID _Entry_author.Entry_ID 1 Qamar Bashir . . . . 28037 2 David LeMaster . M. . . 28037 3 Griselda Hernandez . . . . 28037 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Wadsworth Center NYSDOH' . 28037 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28037 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 496 28037 '15N chemical shifts' 111 28037 '1H chemical shifts' 771 28037 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 2 . . 2020-03-16 2019-11-05 update BMRB 'update entry citation' 28037 1 . . 2020-02-26 2019-11-05 original author 'original release' 28037 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28038 'FKBP12 protein from the pathogenic fungi Candida auris' 28037 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28037 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31950462 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15 N chemical shift assignments of the FKBP12 protein from the pathogenic fungi Candida auris and Candida glabrata ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _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 105 _Citation.Page_last 109 _Citation.Year 2020 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Qamar Bashir . . . . 28037 1 2 David LeMaster . M. . . 28037 1 3 Griselda Hernandez . . . . 28037 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Candida Glabrata' 28037 1 'Chemical Shifts' 28037 1 FKBP12 28037 1 NMR 28037 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28037 _Assembly.ID 1 _Assembly.Name FKBP12 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12156.89 _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 FKBP12 1 $FKBP12 A . yes native no no . . . 28037 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FKBP12 _Entity.Sf_category entity _Entity.Sf_framecode FKBP12 _Entity.Entry_ID 28037 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FKBP12 _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 ; MSETIEGGVKIDRLSPGDGK TFPKQGDLVTIHYTGTLENG QKFDSSVDRGSPFQCNIGVG QVIKGWDAGIPKLSVGEKAR LTIPGPYAYGPRGFPGLIPP NATLIFDVELLKVN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'FKBP12 from candida glabrata' _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 114 _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 12156.89 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes NCBI 5478 . FKBP12 . . . . . . . . . . . . . . 28037 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 28037 1 2 . SER . 28037 1 3 . GLU . 28037 1 4 . THR . 28037 1 5 . ILE . 28037 1 6 . GLU . 28037 1 7 . GLY . 28037 1 8 . GLY . 28037 1 9 . VAL . 28037 1 10 . LYS . 28037 1 11 . ILE . 28037 1 12 . ASP . 28037 1 13 . ARG . 28037 1 14 . LEU . 28037 1 15 . SER . 28037 1 16 . PRO . 28037 1 17 . GLY . 28037 1 18 . ASP . 28037 1 19 . GLY . 28037 1 20 . LYS . 28037 1 21 . THR . 28037 1 22 . PHE . 28037 1 23 . PRO . 28037 1 24 . LYS . 28037 1 25 . GLN . 28037 1 26 . GLY . 28037 1 27 . ASP . 28037 1 28 . LEU . 28037 1 29 . VAL . 28037 1 30 . THR . 28037 1 31 . ILE . 28037 1 32 . HIS . 28037 1 33 . TYR . 28037 1 34 . THR . 28037 1 35 . GLY . 28037 1 36 . THR . 28037 1 37 . LEU . 28037 1 38 . GLU . 28037 1 39 . ASN . 28037 1 40 . GLY . 28037 1 41 . GLN . 28037 1 42 . LYS . 28037 1 43 . PHE . 28037 1 44 . ASP . 28037 1 45 . SER . 28037 1 46 . SER . 28037 1 47 . VAL . 28037 1 48 . ASP . 28037 1 49 . ARG . 28037 1 50 . GLY . 28037 1 51 . SER . 28037 1 52 . PRO . 28037 1 53 . PHE . 28037 1 54 . GLN . 28037 1 55 . CYS . 28037 1 56 . ASN . 28037 1 57 . ILE . 28037 1 58 . GLY . 28037 1 59 . VAL . 28037 1 60 . GLY . 28037 1 61 . GLN . 28037 1 62 . VAL . 28037 1 63 . ILE . 28037 1 64 . LYS . 28037 1 65 . GLY . 28037 1 66 . TRP . 28037 1 67 . ASP . 28037 1 68 . ALA . 28037 1 69 . GLY . 28037 1 70 . ILE . 28037 1 71 . PRO . 28037 1 72 . LYS . 28037 1 73 . LEU . 28037 1 74 . SER . 28037 1 75 . VAL . 28037 1 76 . GLY . 28037 1 77 . GLU . 28037 1 78 . LYS . 28037 1 79 . ALA . 28037 1 80 . ARG . 28037 1 81 . LEU . 28037 1 82 . THR . 28037 1 83 . ILE . 28037 1 84 . PRO . 28037 1 85 . GLY . 28037 1 86 . PRO . 28037 1 87 . TYR . 28037 1 88 . ALA . 28037 1 89 . TYR . 28037 1 90 . GLY . 28037 1 91 . PRO . 28037 1 92 . ARG . 28037 1 93 . GLY . 28037 1 94 . PHE . 28037 1 95 . PRO . 28037 1 96 . GLY . 28037 1 97 . LEU . 28037 1 98 . ILE . 28037 1 99 . PRO . 28037 1 100 . PRO . 28037 1 101 . ASN . 28037 1 102 . ALA . 28037 1 103 . THR . 28037 1 104 . LEU . 28037 1 105 . ILE . 28037 1 106 . PHE . 28037 1 107 . ASP . 28037 1 108 . VAL . 28037 1 109 . GLU . 28037 1 110 . LEU . 28037 1 111 . LEU . 28037 1 112 . LYS . 28037 1 113 . VAL . 28037 1 114 . ASN . 28037 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 28037 1 . SER 2 2 28037 1 . GLU 3 3 28037 1 . THR 4 4 28037 1 . ILE 5 5 28037 1 . GLU 6 6 28037 1 . GLY 7 7 28037 1 . GLY 8 8 28037 1 . VAL 9 9 28037 1 . LYS 10 10 28037 1 . ILE 11 11 28037 1 . ASP 12 12 28037 1 . ARG 13 13 28037 1 . LEU 14 14 28037 1 . SER 15 15 28037 1 . PRO 16 16 28037 1 . GLY 17 17 28037 1 . ASP 18 18 28037 1 . GLY 19 19 28037 1 . LYS 20 20 28037 1 . THR 21 21 28037 1 . PHE 22 22 28037 1 . PRO 23 23 28037 1 . LYS 24 24 28037 1 . GLN 25 25 28037 1 . GLY 26 26 28037 1 . ASP 27 27 28037 1 . LEU 28 28 28037 1 . VAL 29 29 28037 1 . THR 30 30 28037 1 . ILE 31 31 28037 1 . HIS 32 32 28037 1 . TYR 33 33 28037 1 . THR 34 34 28037 1 . GLY 35 35 28037 1 . THR 36 36 28037 1 . LEU 37 37 28037 1 . GLU 38 38 28037 1 . ASN 39 39 28037 1 . GLY 40 40 28037 1 . GLN 41 41 28037 1 . LYS 42 42 28037 1 . PHE 43 43 28037 1 . ASP 44 44 28037 1 . SER 45 45 28037 1 . SER 46 46 28037 1 . VAL 47 47 28037 1 . ASP 48 48 28037 1 . ARG 49 49 28037 1 . GLY 50 50 28037 1 . SER 51 51 28037 1 . PRO 52 52 28037 1 . PHE 53 53 28037 1 . GLN 54 54 28037 1 . CYS 55 55 28037 1 . ASN 56 56 28037 1 . ILE 57 57 28037 1 . GLY 58 58 28037 1 . VAL 59 59 28037 1 . GLY 60 60 28037 1 . GLN 61 61 28037 1 . VAL 62 62 28037 1 . ILE 63 63 28037 1 . LYS 64 64 28037 1 . GLY 65 65 28037 1 . TRP 66 66 28037 1 . ASP 67 67 28037 1 . ALA 68 68 28037 1 . GLY 69 69 28037 1 . ILE 70 70 28037 1 . PRO 71 71 28037 1 . LYS 72 72 28037 1 . LEU 73 73 28037 1 . SER 74 74 28037 1 . VAL 75 75 28037 1 . GLY 76 76 28037 1 . GLU 77 77 28037 1 . LYS 78 78 28037 1 . ALA 79 79 28037 1 . ARG 80 80 28037 1 . LEU 81 81 28037 1 . THR 82 82 28037 1 . ILE 83 83 28037 1 . PRO 84 84 28037 1 . GLY 85 85 28037 1 . PRO 86 86 28037 1 . TYR 87 87 28037 1 . ALA 88 88 28037 1 . TYR 89 89 28037 1 . GLY 90 90 28037 1 . PRO 91 91 28037 1 . ARG 92 92 28037 1 . GLY 93 93 28037 1 . PHE 94 94 28037 1 . PRO 95 95 28037 1 . GLY 96 96 28037 1 . LEU 97 97 28037 1 . ILE 98 98 28037 1 . PRO 99 99 28037 1 . PRO 100 100 28037 1 . ASN 101 101 28037 1 . ALA 102 102 28037 1 . THR 103 103 28037 1 . LEU 104 104 28037 1 . ILE 105 105 28037 1 . PHE 106 106 28037 1 . ASP 107 107 28037 1 . VAL 108 108 28037 1 . GLU 109 109 28037 1 . LEU 110 110 28037 1 . LEU 111 111 28037 1 . LYS 112 112 28037 1 . VAL 113 113 28037 1 . ASN 114 114 28037 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 28037 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FKBP12 . 5478 organism . 'Candida glabrata' 'budding yeasts' . . Eukaryota Fungi Candida glabrata . . . . . . . . . . . . . 28037 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 28037 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FKBP12 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET11-a . . . 28037 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28037 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '93% H2O/7% 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 FKBP12 '[U-99% 15N]' . . 1 $FKBP12 . . 1 . . mM . . . . 28037 1 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 28037 1 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 28037 1 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 28037 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 28037 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '93% H2O/7% 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 FKBP12 '[U-99% 13C; U-99% 15N]' . . 1 $FKBP12 . . 1 . . mM . . . . 28037 2 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 28037 2 3 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 28037 2 4 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 28037 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 28037 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 28037 1 pH 6.5 . pH 28037 1 pressure 1 . atm 28037 1 temperature 298.1 . K 28037 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 28037 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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' 50 . mM 28037 2 pH 6.5 . pH 28037 2 pressure 1 . atm 28037 2 temperature 298.1 . K 28037 2 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 28037 _Software.ID 1 _Software.Type . _Software.Name Felix _Software.Version ND _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Felix NMR' . . 28037 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 28037 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28037 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28037 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 28037 2 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 28037 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 28037 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 600 . . . 28037 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 28037 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28037 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28037 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28037 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28037 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28037 1 6 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28037 1 7 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28037 1 8 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28037 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28037 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28037 1 11 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28037 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28037 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28037 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl protons' . . . . ppm 0 na indirect 0.2514502 . . . . . 28037 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 28037 1 N 15 TSP 'methyl protons' . . . . ppm 0 na indirect 0.10132912 . . . . . 28037 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28037 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'The error for 13C is 0.1 and for 13C(O) is 0.15' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28037 1 2 '2D 1H-1H NOESY' . . . 28037 1 3 '3D 1H-15N NOESY' . . . 28037 1 4 '2D 1H-13C HSQC aliphatic' . . . 28037 1 5 '2D 1H-13C HSQC aromatic' . . . 28037 1 6 '3D HNCO' . . . 28037 1 7 '3D HN(CO)CA' . . . 28037 1 8 '3D HNCACB' . . . 28037 1 9 '3D CBCA(CO)NH' . . . 28037 1 10 '3D HCCH-TOCSY' . . . 28037 1 11 '2D DQF-COSY' . . . 28037 1 12 '3D 1H-15N TOCSY' . . . 28037 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 2 2 SER HB2 H 1 3.852 0.01 . . . . . . . 2 SER HB2 . 28037 1 2 . 1 . 1 2 2 SER HB3 H 1 3.547 0.01 . . . . . . . 2 SER HB3 . 28037 1 3 . 1 . 1 2 2 SER C C 13 170.798 0.15 . 1 . . . . . 2 SER C . 28037 1 4 . 1 . 1 2 2 SER CA C 13 57.742 0.1 . 1 . . . . . 2 SER CA . 28037 1 5 . 1 . 1 2 2 SER CB C 13 63.551 0.1 . 1 . . . . . 2 SER CB . 28037 1 6 . 1 . 1 3 3 GLU H H 1 8.708 0.01 . 1 . . . . . 3 GLU H . 28037 1 7 . 1 . 1 3 3 GLU HA H 1 4.534 0.01 . 1 . . . . . 3 GLU HA . 28037 1 8 . 1 . 1 3 3 GLU HB2 H 1 1.98 0.01 . . . . . . . 3 GLU HB2 . 28037 1 9 . 1 . 1 3 3 GLU HB3 H 1 1.848 0.01 . . . . . . . 3 GLU HB3 . 28037 1 10 . 1 . 1 3 3 GLU HG2 H 1 2.202 0.01 . . . . . . . 3 GLU HG2 . 28037 1 11 . 1 . 1 3 3 GLU HG3 H 1 2.098 0.01 . . . . . . . 3 GLU HG3 . 28037 1 12 . 1 . 1 3 3 GLU C C 13 172.201 0.15 . 1 . . . . . 3 GLU C . 28037 1 13 . 1 . 1 3 3 GLU CA C 13 55.53 0.1 . 1 . . . . . 3 GLU CA . 28037 1 14 . 1 . 1 3 3 GLU CB C 13 32.112 0.1 . 1 . . . . . 3 GLU CB . 28037 1 15 . 1 . 1 3 3 GLU CG C 13 35.346 0.1 . 1 . . . . . 3 GLU CG . 28037 1 16 . 1 . 1 3 3 GLU N N 15 122.628 0.1 . 1 . . . . . 3 GLU N . 28037 1 17 . 1 . 1 4 4 THR H H 1 8.64 0.01 . 1 . . . . . 4 THR H . 28037 1 18 . 1 . 1 4 4 THR HA H 1 4.939 0.01 . 1 . . . . . 4 THR HA . 28037 1 19 . 1 . 1 4 4 THR HB H 1 3.856 0.01 . 1 . . . . . 4 THR HB . 28037 1 20 . 1 . 1 4 4 THR HG21 H 1 1.028 0.01 . 1 . . . . . 4 THR MG . 28037 1 21 . 1 . 1 4 4 THR HG22 H 1 1.028 0.01 . 1 . . . . . 4 THR MG . 28037 1 22 . 1 . 1 4 4 THR HG23 H 1 1.028 0.01 . 1 . . . . . 4 THR MG . 28037 1 23 . 1 . 1 4 4 THR C C 13 174.749 0.15 . 1 . . . . . 4 THR C . 28037 1 24 . 1 . 1 4 4 THR CA C 13 62.195 0.1 . 1 . . . . . 4 THR CA . 28037 1 25 . 1 . 1 4 4 THR CB C 13 69.409 0.1 . 1 . . . . . 4 THR CB . 28037 1 26 . 1 . 1 4 4 THR CG2 C 13 21.444 0.1 . 1 . . . . . 4 THR CG2 . 28037 1 27 . 1 . 1 4 4 THR N N 15 120.392 0.1 . 1 . . . . . 4 THR N . 28037 1 28 . 1 . 1 5 5 ILE H H 1 8.874 0.01 . 1 . . . . . 5 ILE H . 28037 1 29 . 1 . 1 5 5 ILE HA H 1 4.641 0.01 . 1 . . . . . 5 ILE HA . 28037 1 30 . 1 . 1 5 5 ILE HB H 1 2.125 0.01 . 1 . . . . . 5 ILE HB . 28037 1 31 . 1 . 1 5 5 ILE HG12 H 1 1.629 0.01 . . . . . . . 5 ILE HG12 . 28037 1 32 . 1 . 1 5 5 ILE HG13 H 1 0.838 0.01 . . . . . . . 5 ILE HG13 . 28037 1 33 . 1 . 1 5 5 ILE HG21 H 1 0.723 0.01 . 1 . . . . . 5 ILE MG . 28037 1 34 . 1 . 1 5 5 ILE HG22 H 1 0.723 0.01 . 1 . . . . . 5 ILE MG . 28037 1 35 . 1 . 1 5 5 ILE HG23 H 1 0.723 0.01 . 1 . . . . . 5 ILE MG . 28037 1 36 . 1 . 1 5 5 ILE HD11 H 1 0.654 0.01 . 1 . . . . . 5 ILE MD . 28037 1 37 . 1 . 1 5 5 ILE HD12 H 1 0.654 0.01 . 1 . . . . . 5 ILE MD . 28037 1 38 . 1 . 1 5 5 ILE HD13 H 1 0.654 0.01 . 1 . . . . . 5 ILE MD . 28037 1 39 . 1 . 1 5 5 ILE C C 13 174.528 0.15 . 1 . . . . . 5 ILE C . 28037 1 40 . 1 . 1 5 5 ILE CA C 13 59.693 0.1 . 1 . . . . . 5 ILE CA . 28037 1 41 . 1 . 1 5 5 ILE CB C 13 39.197 0.1 . 1 . . . . . 5 ILE CB . 28037 1 42 . 1 . 1 5 5 ILE CG1 C 13 26.604 0.1 . 1 . . . . . 5 ILE CG1 . 28037 1 43 . 1 . 1 5 5 ILE CG2 C 13 17.856 0.1 . 1 . . . . . 5 ILE CG2 . 28037 1 44 . 1 . 1 5 5 ILE CD1 C 13 15.131 0.1 . 1 . . . . . 5 ILE CD1 . 28037 1 45 . 1 . 1 5 5 ILE N N 15 123.447 0.1 . 1 . . . . . 5 ILE N . 28037 1 46 . 1 . 1 6 6 GLU H H 1 8.297 0.01 . 1 . . . . . 6 GLU H . 28037 1 47 . 1 . 1 6 6 GLU HA H 1 3.928 0.01 . 1 . . . . . 6 GLU HA . 28037 1 48 . 1 . 1 6 6 GLU HB2 H 1 1.929 0.01 . . . . . . . 6 GLU HB2 . 28037 1 49 . 1 . 1 6 6 GLU HB3 H 1 1.923 0.01 . . . . . . . 6 GLU HB3 . 28037 1 50 . 1 . 1 6 6 GLU HG2 H 1 2.241 0.01 . . . . . . . 6 GLU HG2 . 28037 1 51 . 1 . 1 6 6 GLU HG3 H 1 2.239 0.01 . . . . . . . 6 GLU HG3 . 28037 1 52 . 1 . 1 6 6 GLU C C 13 175.027 0.15 . 1 . . . . . 6 GLU C . 28037 1 53 . 1 . 1 6 6 GLU CA C 13 57.748 0.1 . 1 . . . . . 6 GLU CA . 28037 1 54 . 1 . 1 6 6 GLU CB C 13 30.214 0.1 . 1 . . . . . 6 GLU CB . 28037 1 55 . 1 . 1 6 6 GLU CG C 13 36.023 0.1 . 1 . . . . . 6 GLU CG . 28037 1 56 . 1 . 1 6 6 GLU N N 15 120.421 0.1 . 1 . . . . . 6 GLU N . 28037 1 57 . 1 . 1 7 7 GLY H H 1 8.233 0.01 . 1 . . . . . 7 GLY H . 28037 1 58 . 1 . 1 7 7 GLY HA2 H 1 3.003 0.01 . . . . . . . 7 GLY HA2 . 28037 1 59 . 1 . 1 7 7 GLY HA3 H 1 2.498 0.01 . . . . . . . 7 GLY HA3 . 28037 1 60 . 1 . 1 7 7 GLY C C 13 174.251 0.15 . 1 . . . . . 7 GLY C . 28037 1 61 . 1 . 1 7 7 GLY CA C 13 44.675 0.1 . 1 . . . . . 7 GLY CA . 28037 1 62 . 1 . 1 7 7 GLY N N 15 107.782 0.1 . 1 . . . . . 7 GLY N . 28037 1 63 . 1 . 1 8 8 GLY H H 1 7.695 0.01 . 1 . . . . . 8 GLY H . 28037 1 64 . 1 . 1 8 8 GLY HA2 H 1 3.882 0.01 . . . . . . . 8 GLY HA2 . 28037 1 65 . 1 . 1 8 8 GLY HA3 H 1 3.274 0.01 . . . . . . . 8 GLY HA3 . 28037 1 66 . 1 . 1 8 8 GLY C C 13 174.198 0.15 . 1 . . . . . 8 GLY C . 28037 1 67 . 1 . 1 8 8 GLY CA C 13 45.046 0.1 . 1 . . . . . 8 GLY CA . 28037 1 68 . 1 . 1 8 8 GLY N N 15 104.188 0.1 . 1 . . . . . 8 GLY N . 28037 1 69 . 1 . 1 9 9 VAL H H 1 6.81 0.01 . 1 . . . . . 9 VAL H . 28037 1 70 . 1 . 1 9 9 VAL HA H 1 4.011 0.01 . 1 . . . . . 9 VAL HA . 28037 1 71 . 1 . 1 9 9 VAL HB H 1 2.009 0.01 . 1 . . . . . 9 VAL HB . 28037 1 72 . 1 . 1 9 9 VAL HG11 H 1 1.008 0.01 . . . . . . . 9 VAL MG1 . 28037 1 73 . 1 . 1 9 9 VAL HG12 H 1 1.008 0.01 . . . . . . . 9 VAL MG1 . 28037 1 74 . 1 . 1 9 9 VAL HG13 H 1 1.008 0.01 . . . . . . . 9 VAL MG1 . 28037 1 75 . 1 . 1 9 9 VAL HG21 H 1 0.795 0.01 . . . . . . . 9 VAL MG2 . 28037 1 76 . 1 . 1 9 9 VAL HG22 H 1 0.795 0.01 . . . . . . . 9 VAL MG2 . 28037 1 77 . 1 . 1 9 9 VAL HG23 H 1 0.795 0.01 . . . . . . . 9 VAL MG2 . 28037 1 78 . 1 . 1 9 9 VAL C C 13 173.63 0.15 . 1 . . . . . 9 VAL C . 28037 1 79 . 1 . 1 9 9 VAL CA C 13 63.194 0.1 . 1 . . . . . 9 VAL CA . 28037 1 80 . 1 . 1 9 9 VAL CB C 13 31.344 0.1 . 1 . . . . . 9 VAL CB . 28037 1 81 . 1 . 1 9 9 VAL CG1 C 13 24.119 0.1 . . . . . . . 9 VAL CG1 . 28037 1 82 . 1 . 1 9 9 VAL CG2 C 13 20.605 0.1 . . . . . . . 9 VAL CG2 . 28037 1 83 . 1 . 1 9 9 VAL N N 15 120.958 0.1 . 1 . . . . . 9 VAL N . 28037 1 84 . 1 . 1 10 10 LYS H H 1 8.462 0.1 . 1 . . . . . 10 LYS H . 28037 1 85 . 1 . 1 10 10 LYS HA H 1 5.537 0.01 . 1 . . . . . 10 LYS HA . 28037 1 86 . 1 . 1 10 10 LYS HB2 H 1 1.627 0.01 . . . . . . . 10 LYS HB2 . 28037 1 87 . 1 . 1 10 10 LYS HB3 H 1 1.627 0.01 . . . . . . . 10 LYS HB3 . 28037 1 88 . 1 . 1 10 10 LYS HG2 H 1 1.287 0.01 . . . . . . . 10 LYS HG2 . 28037 1 89 . 1 . 1 10 10 LYS HG3 H 1 1.287 0.01 . . . . . . . 10 LYS HG3 . 28037 1 90 . 1 . 1 10 10 LYS HD2 H 1 1.544 0.01 . . . . . . . 10 LYS HD2 . 28037 1 91 . 1 . 1 10 10 LYS HD3 H 1 1.544 0.01 . . . . . . . 10 LYS HD3 . 28037 1 92 . 1 . 1 10 10 LYS HE2 H 1 2.844 0.01 . . . . . . . 10 LYS HE2 . 28037 1 93 . 1 . 1 10 10 LYS HE3 H 1 2.844 0.01 . . . . . . . 10 LYS HE3 . 28037 1 94 . 1 . 1 10 10 LYS C C 13 175.845 0.15 . 1 . . . . . 10 LYS C . 28037 1 95 . 1 . 1 10 10 LYS CA C 13 54.22 0.1 . 1 . . . . . 10 LYS CA . 28037 1 96 . 1 . 1 10 10 LYS CB C 13 35.517 0.1 . 1 . . . . . 10 LYS CB . 28037 1 97 . 1 . 1 10 10 LYS CG C 13 24.974 0.1 . 1 . . . . . 10 LYS CG . 28037 1 98 . 1 . 1 10 10 LYS CD C 13 29.398 0.1 . 1 . . . . . 10 LYS CD . 28037 1 99 . 1 . 1 10 10 LYS CE C 13 41.788 0.1 . 1 . . . . . 10 LYS CE . 28037 1 100 . 1 . 1 10 10 LYS N N 15 126.768 0.1 . 1 . . . . . 10 LYS N . 28037 1 101 . 1 . 1 11 11 ILE H H 1 9.086 0.01 . 1 . . . . . 11 ILE H . 28037 1 102 . 1 . 1 11 11 ILE HA H 1 4.798 0.01 . 1 . . . . . 11 ILE HA . 28037 1 103 . 1 . 1 11 11 ILE HB H 1 1.609 0.01 . 1 . . . . . 11 ILE HB . 28037 1 104 . 1 . 1 11 11 ILE HG12 H 1 1.426 0.01 . . . . . . . 11 ILE HG12 . 28037 1 105 . 1 . 1 11 11 ILE HG13 H 1 0.676 0.01 . . . . . . . 11 ILE HG13 . 28037 1 106 . 1 . 1 11 11 ILE HG21 H 1 0.532 0.01 . 1 . . . . . 11 ILE MG . 28037 1 107 . 1 . 1 11 11 ILE HG22 H 1 0.532 0.01 . 1 . . . . . 11 ILE MG . 28037 1 108 . 1 . 1 11 11 ILE HG23 H 1 0.532 0.01 . 1 . . . . . 11 ILE MG . 28037 1 109 . 1 . 1 11 11 ILE HD11 H 1 0.67 0.01 . 1 . . . . . 11 ILE MD . 28037 1 110 . 1 . 1 11 11 ILE HD12 H 1 0.67 0.01 . 1 . . . . . 11 ILE MD . 28037 1 111 . 1 . 1 11 11 ILE HD13 H 1 0.67 0.01 . 1 . . . . . 11 ILE MD . 28037 1 112 . 1 . 1 11 11 ILE C C 13 175.266 0.15 . 1 . . . . . 11 ILE C . 28037 1 113 . 1 . 1 11 11 ILE CA C 13 60.388 0.1 . 1 . . . . . 11 ILE CA . 28037 1 114 . 1 . 1 11 11 ILE CB C 13 40.948 0.1 . 1 . . . . . 11 ILE CB . 28037 1 115 . 1 . 1 11 11 ILE CG1 C 13 27.034 0.1 . 1 . . . . . 11 ILE CG1 . 28037 1 116 . 1 . 1 11 11 ILE CG2 C 13 16.917 0.1 . 1 . . . . . 11 ILE CG2 . 28037 1 117 . 1 . 1 11 11 ILE CD1 C 13 13.968 0.1 . 1 . . . . . 11 ILE CD1 . 28037 1 118 . 1 . 1 11 11 ILE N N 15 122.274 0.1 . 1 . . . . . 11 ILE N . 28037 1 119 . 1 . 1 12 12 ASP H H 1 9.156 0.01 . 1 . . . . . 12 ASP H . 28037 1 120 . 1 . 1 12 12 ASP HA H 1 5.061 0.01 . 1 . . . . . 12 ASP HA . 28037 1 121 . 1 . 1 12 12 ASP HB2 H 1 2.53 0.01 . . . . . . . 12 ASP HB2 . 28037 1 122 . 1 . 1 12 12 ASP HB3 H 1 2.473 0.01 . . . . . . . 12 ASP HB3 . 28037 1 123 . 1 . 1 12 12 ASP C C 13 174.737 0.15 . 1 . . . . . 12 ASP C . 28037 1 124 . 1 . 1 12 12 ASP CA C 13 53.266 0.1 . 1 . . . . . 12 ASP CA . 28037 1 125 . 1 . 1 12 12 ASP CB C 13 43.345 0.1 . 1 . . . . . 12 ASP CB . 28037 1 126 . 1 . 1 12 12 ASP N N 15 127.373 0.1 . 1 . . . . . 12 ASP N . 28037 1 127 . 1 . 1 13 13 ARG H H 1 9.076 0.01 . 1 . . . . . 13 ARG H . 28037 1 128 . 1 . 1 13 13 ARG HA H 1 4.131 0.01 . 1 . . . . . 13 ARG HA . 28037 1 129 . 1 . 1 13 13 ARG HB2 H 1 1.745 0.01 . . . . . . . 13 ARG HB2 . 28037 1 130 . 1 . 1 13 13 ARG HB3 H 1 1.745 0.01 . . . . . . . 13 ARG HB3 . 28037 1 131 . 1 . 1 13 13 ARG HG2 H 1 1.598 0.01 . . . . . . . 13 ARG HG2 . 28037 1 132 . 1 . 1 13 13 ARG HG3 H 1 1.598 0.01 . . . . . . . 13 ARG HG3 . 28037 1 133 . 1 . 1 13 13 ARG HD2 H 1 3.056 0.01 . . . . . . . 13 ARG HD2 . 28037 1 134 . 1 . 1 13 13 ARG HD3 H 1 3.056 0.01 . . . . . . . 13 ARG HD3 . 28037 1 135 . 1 . 1 13 13 ARG C C 13 175.992 0.15 . 1 . . . . . 13 ARG C . 28037 1 136 . 1 . 1 13 13 ARG CA C 13 56.887 0.1 . 1 . . . . . 13 ARG CA . 28037 1 137 . 1 . 1 13 13 ARG CB C 13 28.607 0.1 . 1 . . . . . 13 ARG CB . 28037 1 138 . 1 . 1 13 13 ARG CG C 13 28.219 0.1 . 1 . . . . . 13 ARG CG . 28037 1 139 . 1 . 1 13 13 ARG CD C 13 43.048 0.1 . 1 . . . . . 13 ARG CD . 28037 1 140 . 1 . 1 13 13 ARG N N 15 125.307 0.1 . 1 . . . . . 13 ARG N . 28037 1 141 . 1 . 1 14 14 LEU H H 1 8.395 0.01 . 1 . . . . . 14 LEU H . 28037 1 142 . 1 . 1 14 14 LEU HA H 1 4.473 0.01 . 1 . . . . . 14 LEU HA . 28037 1 143 . 1 . 1 14 14 LEU HB2 H 1 1.47 0.01 . . . . . . . 14 LEU HB2 . 28037 1 144 . 1 . 1 14 14 LEU HB3 H 1 1.47 0.01 . . . . . . . 14 LEU HB3 . 28037 1 145 . 1 . 1 14 14 LEU HG H 1 1.491 0.01 . 1 . . . . . 14 LEU HG . 28037 1 146 . 1 . 1 14 14 LEU HD11 H 1 0.649 0.01 . . . . . . . 14 LEU MD1 . 28037 1 147 . 1 . 1 14 14 LEU HD12 H 1 0.649 0.01 . . . . . . . 14 LEU MD1 . 28037 1 148 . 1 . 1 14 14 LEU HD13 H 1 0.649 0.01 . . . . . . . 14 LEU MD1 . 28037 1 149 . 1 . 1 14 14 LEU HD21 H 1 0.649 0.01 . . . . . . . 14 LEU MD2 . 28037 1 150 . 1 . 1 14 14 LEU HD22 H 1 0.649 0.01 . . . . . . . 14 LEU MD2 . 28037 1 151 . 1 . 1 14 14 LEU HD23 H 1 0.649 0.01 . . . . . . . 14 LEU MD2 . 28037 1 152 . 1 . 1 14 14 LEU C C 13 176.897 0.15 . 1 . . . . . 14 LEU C . 28037 1 153 . 1 . 1 14 14 LEU CA C 13 56.321 0.1 . 1 . . . . . 14 LEU CA . 28037 1 154 . 1 . 1 14 14 LEU CB C 13 42.249 0.1 . 1 . . . . . 14 LEU CB . 28037 1 155 . 1 . 1 14 14 LEU CG C 13 25.052 0.1 . 1 . . . . . 14 LEU CG . 28037 1 156 . 1 . 1 14 14 LEU CD1 C 13 21.979 0.1 . . . . . . . 14 LEU CD1 . 28037 1 157 . 1 . 1 14 14 LEU CD2 C 13 21.979 0.1 . . . . . . . 14 LEU CD2 . 28037 1 158 . 1 . 1 14 14 LEU N N 15 125.52 0.1 . 1 . . . . . 14 LEU N . 28037 1 159 . 1 . 1 15 15 SER H H 1 8.178 0.01 . 1 . . . . . 15 SER H . 28037 1 160 . 1 . 1 15 15 SER HA H 1 4.866 0.01 . 1 . . . . . 15 SER HA . 28037 1 161 . 1 . 1 15 15 SER HB2 H 1 3.766 0.01 . . . . . . . 15 SER HB2 . 28037 1 162 . 1 . 1 15 15 SER HB3 H 1 3.766 0.01 . . . . . . . 15 SER HB3 . 28037 1 163 . 1 . 1 15 15 SER C C 13 172.617 0.15 . 1 . . . . . 15 SER C . 28037 1 164 . 1 . 1 15 15 SER CA C 13 56.165 0.1 . 1 . . . . . 15 SER CA . 28037 1 165 . 1 . 1 15 15 SER CB C 13 63.639 0.1 . 1 . . . . . 15 SER CB . 28037 1 166 . 1 . 1 15 15 SER N N 15 114.335 0.1 . 1 . . . . . 15 SER N . 28037 1 167 . 1 . 1 16 16 PRO HA H 1 4.463 0.01 . 1 . . . . . 16 PRO HA . 28037 1 168 . 1 . 1 16 16 PRO HB2 H 1 1.547 0.01 . . . . . . . 16 PRO HB2 . 28037 1 169 . 1 . 1 16 16 PRO HB3 H 1 2.183 0.01 . . . . . . . 16 PRO HB3 . 28037 1 170 . 1 . 1 16 16 PRO HG2 H 1 1.947 0.01 . . . . . . . 16 PRO HG2 . 28037 1 171 . 1 . 1 16 16 PRO HG3 H 1 1.947 0.01 . . . . . . . 16 PRO HG3 . 28037 1 172 . 1 . 1 16 16 PRO HD2 H 1 3.713 0.01 . . . . . . . 16 PRO HD2 . 28037 1 173 . 1 . 1 16 16 PRO HD3 H 1 3.713 0.01 . . . . . . . 16 PRO HD3 . 28037 1 174 . 1 . 1 16 16 PRO C C 13 178.06 0.15 . 1 . . . . . 16 PRO C . 28037 1 175 . 1 . 1 16 16 PRO CA C 13 63.885 0.1 . 1 . . . . . 16 PRO CA . 28037 1 176 . 1 . 1 16 16 PRO CB C 13 32.958 0.1 . 1 . . . . . 16 PRO CB . 28037 1 177 . 1 . 1 16 16 PRO CG C 13 27.012 0.1 . 1 . . . . . 16 PRO CG . 28037 1 178 . 1 . 1 16 16 PRO CD C 13 51.119 0.1 . 1 . . . . . 16 PRO CD . 28037 1 179 . 1 . 1 17 17 GLY H H 1 8.254 0.01 . 1 . . . . . 17 GLY H . 28037 1 180 . 1 . 1 17 17 GLY HA2 H 1 4.107 0.01 . . . . . . . 17 GLY HA2 . 28037 1 181 . 1 . 1 17 17 GLY HA3 H 1 3.394 0.01 . . . . . . . 17 GLY HA3 . 28037 1 182 . 1 . 1 17 17 GLY C C 13 174.083 0.15 . 1 . . . . . 17 GLY C . 28037 1 183 . 1 . 1 17 17 GLY CA C 13 44.101 0.1 . 1 . . . . . 17 GLY CA . 28037 1 184 . 1 . 1 17 17 GLY N N 15 108.984 0.1 . 1 . . . . . 17 GLY N . 28037 1 185 . 1 . 1 18 18 ASP H H 1 8.132 0.01 . 1 . . . . . 18 ASP H . 28037 1 186 . 1 . 1 18 18 ASP HA H 1 4.238 0.01 . 1 . . . . . 18 ASP HA . 28037 1 187 . 1 . 1 18 18 ASP HB2 H 1 2.887 0.01 . . . . . . . 18 ASP HB2 . 28037 1 188 . 1 . 1 18 18 ASP HB3 H 1 2.887 0.01 . . . . . . . 18 ASP HB3 . 28037 1 189 . 1 . 1 18 18 ASP C C 13 178.171 0.15 . 1 . . . . . 18 ASP C . 28037 1 190 . 1 . 1 18 18 ASP CA C 13 54.261 0.1 . 1 . . . . . 18 ASP CA . 28037 1 191 . 1 . 1 18 18 ASP CB C 13 39.376 0.1 . 1 . . . . . 18 ASP CB . 28037 1 192 . 1 . 1 18 18 ASP N N 15 119.85 0.1 . 1 . . . . . 18 ASP N . 28037 1 193 . 1 . 1 19 19 GLY H H 1 8.767 0.01 . 1 . . . . . 19 GLY H . 28037 1 194 . 1 . 1 19 19 GLY HA2 H 1 3.911 0.01 . . . . . . . 19 GLY HA2 . 28037 1 195 . 1 . 1 19 19 GLY HA3 H 1 3.381 0.01 . . . . . . . 19 GLY HA3 . 28037 1 196 . 1 . 1 19 19 GLY C C 13 173.017 0.1 . 1 . . . . . 19 GLY C . 28037 1 197 . 1 . 1 19 19 GLY CA C 13 45.948 0.1 . 1 . . . . . 19 GLY CA . 28037 1 198 . 1 . 1 19 19 GLY N N 15 108.715 0.1 . 1 . . . . . 19 GLY N . 28037 1 199 . 1 . 1 20 20 LYS H H 1 8.389 0.01 . 1 . . . . . 20 LYS H . 28037 1 200 . 1 . 1 20 20 LYS HA H 1 4.658 0.01 . 1 . . . . . 20 LYS HA . 28037 1 201 . 1 . 1 20 20 LYS HB2 H 1 1.644 0.01 . . . . . . . 20 LYS HB2 . 28037 1 202 . 1 . 1 20 20 LYS HB3 H 1 1.458 0.01 . . . . . . . 20 LYS HB3 . 28037 1 203 . 1 . 1 20 20 LYS HG2 H 1 1.15 0.01 . . . . . . . 20 LYS HG2 . 28037 1 204 . 1 . 1 20 20 LYS HG3 H 1 1.15 0.01 . . . . . . . 20 LYS HG3 . 28037 1 205 . 1 . 1 20 20 LYS HD2 H 1 1.265 0.01 . . . . . . . 20 LYS HD2 . 28037 1 206 . 1 . 1 20 20 LYS HD3 H 1 1.265 0.01 . . . . . . . 20 LYS HD3 . 28037 1 207 . 1 . 1 20 20 LYS HE2 H 1 2.858 0.01 . . . . . . . 20 LYS HE2 . 28037 1 208 . 1 . 1 20 20 LYS HE3 H 1 2.858 0.01 . . . . . . . 20 LYS HE3 . 28037 1 209 . 1 . 1 20 20 LYS C C 13 175.138 0.15 . 1 . . . . . 20 LYS C . 28037 1 210 . 1 . 1 20 20 LYS CA C 13 56.37 0.1 . 1 . . . . . 20 LYS CA . 28037 1 211 . 1 . 1 20 20 LYS CB C 13 36.629 0.1 . 1 . . . . . 20 LYS CB . 28037 1 212 . 1 . 1 20 20 LYS CG C 13 23.795 0.1 . 1 . . . . . 20 LYS CG . 28037 1 213 . 1 . 1 20 20 LYS CD C 13 24.176 0.1 . 1 . . . . . 20 LYS CD . 28037 1 214 . 1 . 1 20 20 LYS CE C 13 42.099 0.1 . 1 . . . . . 20 LYS CE . 28037 1 215 . 1 . 1 20 20 LYS N N 15 118.016 0.1 . 1 . . . . . 20 LYS N . 28037 1 216 . 1 . 1 21 21 THR H H 1 10.138 0.01 . 1 . . . . . 21 THR H . 28037 1 217 . 1 . 1 21 21 THR HA H 1 4.134 0.01 . 1 . . . . . 21 THR HA . 28037 1 218 . 1 . 1 21 21 THR HB H 1 4.137 0.01 . 1 . . . . . 21 THR HB . 28037 1 219 . 1 . 1 21 21 THR HG21 H 1 0.984 0.01 . 1 . . . . . 21 THR MG . 28037 1 220 . 1 . 1 21 21 THR HG22 H 1 0.984 0.01 . 1 . . . . . 21 THR MG . 28037 1 221 . 1 . 1 21 21 THR HG23 H 1 0.984 0.01 . 1 . . . . . 21 THR MG . 28037 1 222 . 1 . 1 21 21 THR C C 13 172.216 0.15 . 1 . . . . . 21 THR C . 28037 1 223 . 1 . 1 21 21 THR CA C 13 61.894 0.1 . 1 . . . . . 21 THR CA . 28037 1 224 . 1 . 1 21 21 THR CB C 13 66.437 0.1 . 1 . . . . . 21 THR CB . 28037 1 225 . 1 . 1 21 21 THR CG2 C 13 21.719 0.1 . 1 . . . . . 21 THR CG2 . 28037 1 226 . 1 . 1 21 21 THR N N 15 125.053 0.1 . 1 . . . . . 21 THR N . 28037 1 227 . 1 . 1 22 22 PHE H H 1 7.996 0.01 . 1 . . . . . 22 PHE H . 28037 1 228 . 1 . 1 22 22 PHE HA H 1 5.203 0.01 . 1 . . . . . 22 PHE HA . 28037 1 229 . 1 . 1 22 22 PHE HB2 H 1 3.114 0.01 . . . . . . . 22 PHE HB2 . 28037 1 230 . 1 . 1 22 22 PHE HB3 H 1 2.508 0.01 . . . . . . . 22 PHE HB3 . 28037 1 231 . 1 . 1 22 22 PHE HD1 H 1 6.992 0.01 . . . . . . . 22 PHE HD1 . 28037 1 232 . 1 . 1 22 22 PHE HD2 H 1 6.992 0.01 . . . . . . . 22 PHE HD2 . 28037 1 233 . 1 . 1 22 22 PHE HE1 H 1 6.983 0.01 . . . . . . . 22 PHE HE1 . 28037 1 234 . 1 . 1 22 22 PHE HE2 H 1 6.983 0.01 . . . . . . . 22 PHE HE2 . 28037 1 235 . 1 . 1 22 22 PHE HZ H 1 6.968 0.01 . 1 . . . . . 22 PHE HZ . 28037 1 236 . 1 . 1 22 22 PHE C C 13 174.56 0.15 . 1 . . . . . 22 PHE C . 28037 1 237 . 1 . 1 22 22 PHE CA C 13 54.108 0.1 . 1 . . . . . 22 PHE CA . 28037 1 238 . 1 . 1 22 22 PHE CB C 13 39.763 0.1 . 1 . . . . . 22 PHE CB . 28037 1 239 . 1 . 1 22 22 PHE CD1 C 13 133.007 0.1 . . . . . . . 22 PHE CD1 . 28037 1 240 . 1 . 1 22 22 PHE CD2 C 13 133.007 0.1 . . . . . . . 22 PHE CD2 . 28037 1 241 . 1 . 1 22 22 PHE CE1 C 13 130.703 0.1 . . . . . . . 22 PHE CE1 . 28037 1 242 . 1 . 1 22 22 PHE CE2 C 13 130.703 0.1 . . . . . . . 22 PHE CE2 . 28037 1 243 . 1 . 1 22 22 PHE CZ C 13 128.572 0.1 . 1 . . . . . 22 PHE CZ . 28037 1 244 . 1 . 1 22 22 PHE N N 15 124.201 0.1 . 1 . . . . . 22 PHE N . 28037 1 245 . 1 . 1 23 23 PRO HA H 1 4.478 0.01 . 1 . . . . . 23 PRO HA . 28037 1 246 . 1 . 1 23 23 PRO HB2 H 1 1.998 0.01 . . . . . . . 23 PRO HB2 . 28037 1 247 . 1 . 1 23 23 PRO HB3 H 1 1.547 0.01 . . . . . . . 23 PRO HB3 . 28037 1 248 . 1 . 1 23 23 PRO HG2 H 1 1.627 0.01 . . . . . . . 23 PRO HG2 . 28037 1 249 . 1 . 1 23 23 PRO HG3 H 1 1.627 0.01 . . . . . . . 23 PRO HG3 . 28037 1 250 . 1 . 1 23 23 PRO HD2 H 1 4.091 0.01 . . . . . . . 23 PRO HD2 . 28037 1 251 . 1 . 1 23 23 PRO HD3 H 1 4.091 0.01 . . . . . . . 23 PRO HD3 . 28037 1 252 . 1 . 1 23 23 PRO C C 13 174.858 0.15 . 1 . . . . . 23 PRO C . 28037 1 253 . 1 . 1 23 23 PRO CA C 13 62.532 0.1 . 1 . . . . . 23 PRO CA . 28037 1 254 . 1 . 1 23 23 PRO CB C 13 32.882 0.1 . 1 . . . . . 23 PRO CB . 28037 1 255 . 1 . 1 23 23 PRO CG C 13 27.701 0.1 . 1 . . . . . 23 PRO CG . 28037 1 256 . 1 . 1 23 23 PRO CD C 13 51.337 0.1 . 1 . . . . . 23 PRO CD . 28037 1 257 . 1 . 1 24 24 LYS H H 1 9.325 0.01 . 1 . . . . . 24 LYS H . 28037 1 258 . 1 . 1 24 24 LYS HA H 1 4.449 0.01 . 1 . . . . . 24 LYS HA . 28037 1 259 . 1 . 1 24 24 LYS HB2 H 1 1.693 0.01 . . . . . . . 24 LYS HB2 . 28037 1 260 . 1 . 1 24 24 LYS HB3 H 1 1.693 0.01 . . . . . . . 24 LYS HB3 . 28037 1 261 . 1 . 1 24 24 LYS HG2 H 1 1.433 0.01 . . . . . . . 24 LYS HG2 . 28037 1 262 . 1 . 1 24 24 LYS HG3 H 1 1.365 0.01 . . . . . . . 24 LYS HG3 . 28037 1 263 . 1 . 1 24 24 LYS HD2 H 1 1.616 0.01 . . . . . . . 24 LYS HD2 . 28037 1 264 . 1 . 1 24 24 LYS HD3 H 1 1.616 0.01 . . . . . . . 24 LYS HD3 . 28037 1 265 . 1 . 1 24 24 LYS HE2 H 1 2.986 0.01 . . . . . . . 24 LYS HE2 . 28037 1 266 . 1 . 1 24 24 LYS HE3 H 1 2.986 0.01 . . . . . . . 24 LYS HE3 . 28037 1 267 . 1 . 1 24 24 LYS C C 13 175.399 0.15 . 1 . . . . . 24 LYS C . 28037 1 268 . 1 . 1 24 24 LYS CA C 13 53.478 0.1 . 1 . . . . . 24 LYS CA . 28037 1 269 . 1 . 1 24 24 LYS CB C 13 34.495 0.1 . 1 . . . . . 24 LYS CB . 28037 1 270 . 1 . 1 24 24 LYS CG C 13 24.125 0.1 . 1 . . . . . 24 LYS CG . 28037 1 271 . 1 . 1 24 24 LYS CD C 13 28.828 0.1 . 1 . . . . . 24 LYS CD . 28037 1 272 . 1 . 1 24 24 LYS CE C 13 42.174 0.1 . 1 . . . . . 24 LYS CE . 28037 1 273 . 1 . 1 24 24 LYS N N 15 123.632 0.1 . 1 . . . . . 24 LYS N . 28037 1 274 . 1 . 1 25 25 GLN H H 1 8.201 0.01 . 1 . . . . . 25 GLN H . 28037 1 275 . 1 . 1 25 25 GLN HA H 1 3.754 0.01 . 1 . . . . . 25 GLN HA . 28037 1 276 . 1 . 1 25 25 GLN HB2 H 1 1.851 0.01 . . . . . . . 25 GLN HB2 . 28037 1 277 . 1 . 1 25 25 GLN HB3 H 1 1.851 0.01 . . . . . . . 25 GLN HB3 . 28037 1 278 . 1 . 1 25 25 GLN HG2 H 1 2.093 0.01 . . . . . . . 25 GLN HG2 . 28037 1 279 . 1 . 1 25 25 GLN HG3 H 1 2.093 0.01 . . . . . . . 25 GLN HG3 . 28037 1 280 . 1 . 1 25 25 GLN HE21 H 1 6.778 0.01 . . . . . . . 25 GLN HE21 . 28037 1 281 . 1 . 1 25 25 GLN HE22 H 1 7.339 0.01 . . . . . . . 25 GLN HE22 . 28037 1 282 . 1 . 1 25 25 GLN C C 13 176.796 0.15 . 1 . . . . . 25 GLN C . 28037 1 283 . 1 . 1 25 25 GLN CA C 13 58.78 0.1 . 1 . . . . . 25 GLN CA . 28037 1 284 . 1 . 1 25 25 GLN CB C 13 28.402 0.1 . 1 . . . . . 25 GLN CB . 28037 1 285 . 1 . 1 25 25 GLN CG C 13 33.572 0.1 . 1 . . . . . 25 GLN CG . 28037 1 286 . 1 . 1 25 25 GLN CD C 13 179.719 0.1 . 1 . . . . . 25 GLN CD . 28037 1 287 . 1 . 1 25 25 GLN N N 15 118.68 0.1 . 1 . . . . . 25 GLN N . 28037 1 288 . 1 . 1 25 25 GLN NE2 N 15 111.635 0.1 . 1 . . . . . 25 GLN NE2 . 28037 1 289 . 1 . 1 26 26 GLY H H 1 9.247 0.01 . 1 . . . . . 26 GLY H . 28037 1 290 . 1 . 1 26 26 GLY HA2 H 1 4.394 0.01 . . . . . . . 26 GLY HA2 . 28037 1 291 . 1 . 1 26 26 GLY HA3 H 1 3.332 0.01 . . . . . . . 26 GLY HA3 . 28037 1 292 . 1 . 1 26 26 GLY C C 13 174.742 0.15 . 1 . . . . . 26 GLY C . 28037 1 293 . 1 . 1 26 26 GLY CA C 13 45.022 0.1 . 1 . . . . . 26 GLY CA . 28037 1 294 . 1 . 1 26 26 GLY N N 15 115.491 0.1 . 1 . . . . . 26 GLY N . 28037 1 295 . 1 . 1 27 27 ASP H H 1 8.475 0.01 . 1 . . . . . 27 ASP H . 28037 1 296 . 1 . 1 27 27 ASP HA H 1 4.535 0.01 . 1 . . . . . 27 ASP HA . 28037 1 297 . 1 . 1 27 27 ASP HB2 H 1 2.7 0.01 . . . . . . . 27 ASP HB2 . 28037 1 298 . 1 . 1 27 27 ASP HB3 H 1 2.7 0.01 . . . . . . . 27 ASP HB3 . 28037 1 299 . 1 . 1 27 27 ASP C C 13 175.484 0.15 . 1 . . . . . 27 ASP C . 28037 1 300 . 1 . 1 27 27 ASP CA C 13 55.335 0.1 . 1 . . . . . 27 ASP CA . 28037 1 301 . 1 . 1 27 27 ASP CB C 13 41.984 0.1 . 1 . . . . . 27 ASP CB . 28037 1 302 . 1 . 1 27 27 ASP N N 15 122.495 0.1 . 1 . . . . . 27 ASP N . 28037 1 303 . 1 . 1 28 28 LEU H H 1 8.142 0.01 . 1 . . . . . 28 LEU H . 28037 1 304 . 1 . 1 28 28 LEU HA H 1 4.605 0.01 . 1 . . . . . 28 LEU HA . 28037 1 305 . 1 . 1 28 28 LEU HB2 H 1 1.673 0.01 . . . . . . . 28 LEU HB2 . 28037 1 306 . 1 . 1 28 28 LEU HB3 H 1 1.349 0.01 . . . . . . . 28 LEU HB3 . 28037 1 307 . 1 . 1 28 28 LEU HG H 1 1.203 0.01 . 1 . . . . . 28 LEU HG . 28037 1 308 . 1 . 1 28 28 LEU HD11 H 1 0.547 0.01 . . . . . . . 28 LEU MD1 . 28037 1 309 . 1 . 1 28 28 LEU HD12 H 1 0.547 0.01 . . . . . . . 28 LEU MD1 . 28037 1 310 . 1 . 1 28 28 LEU HD13 H 1 0.547 0.01 . . . . . . . 28 LEU MD1 . 28037 1 311 . 1 . 1 28 28 LEU HD21 H 1 0.547 0.01 . . . . . . . 28 LEU MD2 . 28037 1 312 . 1 . 1 28 28 LEU HD22 H 1 0.547 0.01 . . . . . . . 28 LEU MD2 . 28037 1 313 . 1 . 1 28 28 LEU HD23 H 1 0.547 0.01 . . . . . . . 28 LEU MD2 . 28037 1 314 . 1 . 1 28 28 LEU C C 13 176.989 0.15 . 1 . . . . . 28 LEU C . 28037 1 315 . 1 . 1 28 28 LEU CA C 13 54.118 0.1 . 1 . . . . . 28 LEU CA . 28037 1 316 . 1 . 1 28 28 LEU CB C 13 43.565 0.1 . 1 . . . . . 28 LEU CB . 28037 1 317 . 1 . 1 28 28 LEU CG C 13 24.815 0.1 . 1 . . . . . 28 LEU CG . 28037 1 318 . 1 . 1 28 28 LEU CD1 C 13 23.79 0.1 . . . . . . . 28 LEU CD1 . 28037 1 319 . 1 . 1 28 28 LEU CD2 C 13 23.79 0.1 . . . . . . . 28 LEU CD2 . 28037 1 320 . 1 . 1 28 28 LEU N N 15 122.006 0.1 . 1 . . . . . 28 LEU N . 28037 1 321 . 1 . 1 29 29 VAL H H 1 9.347 0.01 . 1 . . . . . 29 VAL H . 28037 1 322 . 1 . 1 29 29 VAL HA H 1 4.999 0.01 . 1 . . . . . 29 VAL HA . 28037 1 323 . 1 . 1 29 29 VAL HB H 1 1.845 0.01 . 1 . . . . . 29 VAL HB . 28037 1 324 . 1 . 1 29 29 VAL HG11 H 1 0.754 0.01 . . . . . . . 29 VAL MG1 . 28037 1 325 . 1 . 1 29 29 VAL HG12 H 1 0.754 0.01 . . . . . . . 29 VAL MG1 . 28037 1 326 . 1 . 1 29 29 VAL HG13 H 1 0.754 0.01 . . . . . . . 29 VAL MG1 . 28037 1 327 . 1 . 1 29 29 VAL HG21 H 1 0.808 0.01 . . . . . . . 29 VAL MG2 . 28037 1 328 . 1 . 1 29 29 VAL HG22 H 1 0.808 0.01 . . . . . . . 29 VAL MG2 . 28037 1 329 . 1 . 1 29 29 VAL HG23 H 1 0.808 0.01 . . . . . . . 29 VAL MG2 . 28037 1 330 . 1 . 1 29 29 VAL C C 13 173.543 0.15 . 1 . . . . . 29 VAL C . 28037 1 331 . 1 . 1 29 29 VAL CA C 13 58.99 0.1 . 1 . . . . . 29 VAL CA . 28037 1 332 . 1 . 1 29 29 VAL CB C 13 33.817 0.1 . 1 . . . . . 29 VAL CB . 28037 1 333 . 1 . 1 29 29 VAL CG1 C 13 22.971 0.1 . . . . . . . 29 VAL CG1 . 28037 1 334 . 1 . 1 29 29 VAL CG2 C 13 20.215 0.1 . . . . . . . 29 VAL CG2 . 28037 1 335 . 1 . 1 29 29 VAL N N 15 120.953 0.1 . 1 . . . . . 29 VAL N . 28037 1 336 . 1 . 1 30 30 THR H H 1 7.997 0.01 . 1 . . . . . 30 THR H . 28037 1 337 . 1 . 1 30 30 THR HA H 1 4.988 0.01 . 1 . . . . . 30 THR HA . 28037 1 338 . 1 . 1 30 30 THR HB H 1 3.746 0.01 . 1 . . . . . 30 THR HB . 28037 1 339 . 1 . 1 30 30 THR HG21 H 1 0.902 0.01 . 1 . . . . . 30 THR MG . 28037 1 340 . 1 . 1 30 30 THR HG22 H 1 0.902 0.01 . 1 . . . . . 30 THR MG . 28037 1 341 . 1 . 1 30 30 THR HG23 H 1 0.902 0.01 . 1 . . . . . 30 THR MG . 28037 1 342 . 1 . 1 30 30 THR C C 13 174.333 0.15 . 1 . . . . . 30 THR C . 28037 1 343 . 1 . 1 30 30 THR CA C 13 61.594 0.1 . 1 . . . . . 30 THR CA . 28037 1 344 . 1 . 1 30 30 THR CB C 13 69.328 0.1 . 1 . . . . . 30 THR CB . 28037 1 345 . 1 . 1 30 30 THR CG2 C 13 21.492 0.1 . 1 . . . . . 30 THR CG2 . 28037 1 346 . 1 . 1 30 30 THR N N 15 117.964 0.1 . 1 . . . . . 30 THR N . 28037 1 347 . 1 . 1 31 31 ILE H H 1 9.53 0.01 . 1 . . . . . 31 ILE H . 28037 1 348 . 1 . 1 31 31 ILE HA H 1 5.432 0.01 . 1 . . . . . 31 ILE HA . 28037 1 349 . 1 . 1 31 31 ILE HB H 1 1.69 0.01 . 1 . . . . . 31 ILE HB . 28037 1 350 . 1 . 1 31 31 ILE HG12 H 1 1.426 0.01 . . . . . . . 31 ILE HG12 . 28037 1 351 . 1 . 1 31 31 ILE HG13 H 1 1.006 0.01 . . . . . . . 31 ILE HG13 . 28037 1 352 . 1 . 1 31 31 ILE HG21 H 1 0.626 0.01 . 1 . . . . . 31 ILE MG . 28037 1 353 . 1 . 1 31 31 ILE HG22 H 1 0.626 0.01 . 1 . . . . . 31 ILE MG . 28037 1 354 . 1 . 1 31 31 ILE HG23 H 1 0.626 0.01 . 1 . . . . . 31 ILE MG . 28037 1 355 . 1 . 1 31 31 ILE HD11 H 1 -0.038 0.01 . 1 . . . . . 31 ILE MD . 28037 1 356 . 1 . 1 31 31 ILE HD12 H 1 -0.038 0.01 . 1 . . . . . 31 ILE MD . 28037 1 357 . 1 . 1 31 31 ILE HD13 H 1 -0.038 0.01 . 1 . . . . . 31 ILE MD . 28037 1 358 . 1 . 1 31 31 ILE C C 13 174.254 0.15 . 1 . . . . . 31 ILE C . 28037 1 359 . 1 . 1 31 31 ILE CA C 13 58.568 0.1 . 1 . . . . . 31 ILE CA . 28037 1 360 . 1 . 1 31 31 ILE CB C 13 42.764 0.1 . 1 . . . . . 31 ILE CB . 28037 1 361 . 1 . 1 31 31 ILE CG1 C 13 25.762 0.1 . 1 . . . . . 31 ILE CG1 . 28037 1 362 . 1 . 1 31 31 ILE CG2 C 13 17.438 0.1 . 1 . . . . . 31 ILE CG2 . 28037 1 363 . 1 . 1 31 31 ILE CD1 C 13 13.303 0.1 . 1 . . . . . 31 ILE CD1 . 28037 1 364 . 1 . 1 31 31 ILE N N 15 120.459 0.1 . 1 . . . . . 31 ILE N . 28037 1 365 . 1 . 1 32 32 HIS H H 1 8.58 0.01 . 1 . . . . . 32 HIS H . 28037 1 366 . 1 . 1 32 32 HIS HA H 1 5.736 0.01 . 1 . . . . . 32 HIS HA . 28037 1 367 . 1 . 1 32 32 HIS HB2 H 1 2.759 0.01 . . . . . . . 32 HIS HB2 . 28037 1 368 . 1 . 1 32 32 HIS HB3 H 1 2.759 0.01 . . . . . . . 32 HIS HB3 . 28037 1 369 . 1 . 1 32 32 HIS HD2 H 1 6.858 0.01 . 1 . . . . . 32 HIS HD2 . 28037 1 370 . 1 . 1 32 32 HIS HE1 H 1 6.962 0.01 . 1 . . . . . 32 HIS HE1 . 28037 1 371 . 1 . 1 32 32 HIS C C 13 176.376 0.15 . 1 . . . . . 32 HIS C . 28037 1 372 . 1 . 1 32 32 HIS CA C 13 53.709 0.1 . 1 . . . . . 32 HIS CA . 28037 1 373 . 1 . 1 32 32 HIS CB C 13 35.335 0.1 . 1 . . . . . 32 HIS CB . 28037 1 374 . 1 . 1 32 32 HIS CD2 C 13 117.081 0.1 . 1 . . . . . 32 HIS CD2 . 28037 1 375 . 1 . 1 32 32 HIS CE1 C 13 136.9 0.1 . 1 . . . . . 32 HIS CE1 . 28037 1 376 . 1 . 1 32 32 HIS N N 15 120.822 0.1 . 1 . . . . . 32 HIS N . 28037 1 377 . 1 . 1 33 33 TYR H H 1 9.613 0.01 . 1 . . . . . 33 TYR H . 28037 1 378 . 1 . 1 33 33 TYR HA H 1 6.174 0.01 . 1 . . . . . 33 TYR HA . 28037 1 379 . 1 . 1 33 33 TYR HB2 H 1 2.585 0.01 . . . . . . . 33 TYR HB2 . 28037 1 380 . 1 . 1 33 33 TYR HB3 H 1 2.585 0.01 . . . . . . . 33 TYR HB3 . 28037 1 381 . 1 . 1 33 33 TYR HD1 H 1 6.816 0.01 . . . . . . . 33 TYR HD1 . 28037 1 382 . 1 . 1 33 33 TYR HD2 H 1 6.816 0.01 . . . . . . . 33 TYR HD2 . 28037 1 383 . 1 . 1 33 33 TYR HE1 H 1 6.581 0.01 . . . . . . . 33 TYR HE1 . 28037 1 384 . 1 . 1 33 33 TYR HE2 H 1 6.581 0.01 . . . . . . . 33 TYR HE2 . 28037 1 385 . 1 . 1 33 33 TYR C C 13 173.834 0.15 . 1 . . . . . 33 TYR C . 28037 1 386 . 1 . 1 33 33 TYR CA C 13 56.129 0.1 . 1 . . . . . 33 TYR CA . 28037 1 387 . 1 . 1 33 33 TYR CB C 13 42.67 0.1 . 1 . . . . . 33 TYR CB . 28037 1 388 . 1 . 1 33 33 TYR CD1 C 13 132.79 0.1 . . . . . . . 33 TYR CD1 . 28037 1 389 . 1 . 1 33 33 TYR CD2 C 13 132.79 0.1 . . . . . . . 33 TYR CD2 . 28037 1 390 . 1 . 1 33 33 TYR CE1 C 13 117.374 0.1 . . . . . . . 33 TYR CE1 . 28037 1 391 . 1 . 1 33 33 TYR CE2 C 13 117.374 0.1 . . . . . . . 33 TYR CE2 . 28037 1 392 . 1 . 1 33 33 TYR N N 15 118.301 0.1 . 1 . . . . . 33 TYR N . 28037 1 393 . 1 . 1 34 34 THR H H 1 8.62 0.01 . 1 . . . . . 34 THR H . 28037 1 394 . 1 . 1 34 34 THR HA H 1 4.46 0.01 . 1 . . . . . 34 THR HA . 28037 1 395 . 1 . 1 34 34 THR HB H 1 3.988 0.01 . 1 . . . . . 34 THR HB . 28037 1 396 . 1 . 1 34 34 THR HG21 H 1 1.116 0.01 . 1 . . . . . 34 THR MG . 28037 1 397 . 1 . 1 34 34 THR HG22 H 1 1.116 0.01 . 1 . . . . . 34 THR MG . 28037 1 398 . 1 . 1 34 34 THR HG23 H 1 1.116 0.01 . 1 . . . . . 34 THR MG . 28037 1 399 . 1 . 1 34 34 THR C C 13 173.12 0.15 . 1 . . . . . 34 THR C . 28037 1 400 . 1 . 1 34 34 THR CA C 13 63.551 0.1 . 1 . . . . . 34 THR CA . 28037 1 401 . 1 . 1 34 34 THR CB C 13 71.975 0.1 . 1 . . . . . 34 THR CB . 28037 1 402 . 1 . 1 34 34 THR CG2 C 13 21.884 0.1 . 1 . . . . . 34 THR CG2 . 28037 1 403 . 1 . 1 34 34 THR N N 15 116.136 0.1 . 1 . . . . . 34 THR N . 28037 1 404 . 1 . 1 35 35 GLY H H 1 9.337 0.01 . 1 . . . . . 35 GLY H . 28037 1 405 . 1 . 1 35 35 GLY HA2 H 1 4.76 0.01 . . . . . . . 35 GLY HA2 . 28037 1 406 . 1 . 1 35 35 GLY HA3 H 1 2.309 0.01 . . . . . . . 35 GLY HA3 . 28037 1 407 . 1 . 1 35 35 GLY C C 13 171.599 0.15 . 1 . . . . . 35 GLY C . 28037 1 408 . 1 . 1 35 35 GLY CA C 13 45.393 0.1 . 1 . . . . . 35 GLY CA . 28037 1 409 . 1 . 1 35 35 GLY N N 15 116.312 0.1 . 1 . . . . . 35 GLY N . 28037 1 410 . 1 . 1 36 36 THR H H 1 9.469 0.01 . 1 . . . . . 36 THR H . 28037 1 411 . 1 . 1 36 36 THR HA H 1 5.198 0.01 . 1 . . . . . 36 THR HA . 28037 1 412 . 1 . 1 36 36 THR HB H 1 3.858 0.01 . 1 . . . . . 36 THR HB . 28037 1 413 . 1 . 1 36 36 THR HG21 H 1 0.884 0.01 . 1 . . . . . 36 THR MG . 28037 1 414 . 1 . 1 36 36 THR HG22 H 1 0.884 0.01 . 1 . . . . . 36 THR MG . 28037 1 415 . 1 . 1 36 36 THR HG23 H 1 0.884 0.01 . 1 . . . . . 36 THR MG . 28037 1 416 . 1 . 1 36 36 THR C C 13 174.224 0.15 . 1 . . . . . 36 THR C . 28037 1 417 . 1 . 1 36 36 THR CA C 13 59.519 0.1 . 1 . . . . . 36 THR CA . 28037 1 418 . 1 . 1 36 36 THR CB C 13 72.619 0.1 . 1 . . . . . 36 THR CB . 28037 1 419 . 1 . 1 36 36 THR CG2 C 13 21.131 0.1 . 1 . . . . . 36 THR CG2 . 28037 1 420 . 1 . 1 36 36 THR N N 15 118.077 0.1 . 1 . . . . . 36 THR N . 28037 1 421 . 1 . 1 37 37 LEU H H 1 8.455 0.01 . 1 . . . . . 37 LEU H . 28037 1 422 . 1 . 1 37 37 LEU HA H 1 4.789 0.01 . 1 . . . . . 37 LEU HA . 28037 1 423 . 1 . 1 37 37 LEU HB2 H 1 2.149 0.01 . . . . . . . 37 LEU HB2 . 28037 1 424 . 1 . 1 37 37 LEU HB3 H 1 2.136 0.01 . . . . . . . 37 LEU HB3 . 28037 1 425 . 1 . 1 37 37 LEU HG H 1 1.904 0.01 . 1 . . . . . 37 LEU HG . 28037 1 426 . 1 . 1 37 37 LEU HD11 H 1 0.989 0.01 . . . . . . . 37 LEU MD1 . 28037 1 427 . 1 . 1 37 37 LEU HD12 H 1 0.989 0.01 . . . . . . . 37 LEU MD1 . 28037 1 428 . 1 . 1 37 37 LEU HD13 H 1 0.989 0.01 . . . . . . . 37 LEU MD1 . 28037 1 429 . 1 . 1 37 37 LEU HD21 H 1 0.779 0.01 . . . . . . . 37 LEU MD2 . 28037 1 430 . 1 . 1 37 37 LEU HD22 H 1 0.779 0.01 . . . . . . . 37 LEU MD2 . 28037 1 431 . 1 . 1 37 37 LEU HD23 H 1 0.779 0.01 . . . . . . . 37 LEU MD2 . 28037 1 432 . 1 . 1 37 37 LEU C C 13 179.887 0.15 . 1 . . . . . 37 LEU C . 28037 1 433 . 1 . 1 37 37 LEU CA C 13 53.854 0.1 . 1 . . . . . 37 LEU CA . 28037 1 434 . 1 . 1 37 37 LEU CB C 13 41.842 0.1 . 1 . . . . . 37 LEU CB . 28037 1 435 . 1 . 1 37 37 LEU CG C 13 27.663 0.1 . 1 . . . . . 37 LEU CG . 28037 1 436 . 1 . 1 37 37 LEU CD1 C 13 25.487 0.1 . . . . . . . 37 LEU CD1 . 28037 1 437 . 1 . 1 37 37 LEU CD2 C 13 22.982 0.1 . . . . . . . 37 LEU CD2 . 28037 1 438 . 1 . 1 37 37 LEU N N 15 119.115 0.1 . 1 . . . . . 37 LEU N . 28037 1 439 . 1 . 1 38 38 GLU H H 1 9.324 0.01 . 1 . . . . . 38 GLU H . 28037 1 440 . 1 . 1 38 38 GLU HA H 1 3.809 0.01 . 1 . . . . . 38 GLU HA . 28037 1 441 . 1 . 1 38 38 GLU HB2 H 1 1.996 0.01 . . . . . . . 38 GLU HB2 . 28037 1 442 . 1 . 1 38 38 GLU HB3 H 1 1.996 0.01 . . . . . . . 38 GLU HB3 . 28037 1 443 . 1 . 1 38 38 GLU HG2 H 1 2.258 0.01 . . . . . . . 38 GLU HG2 . 28037 1 444 . 1 . 1 38 38 GLU HG3 H 1 2.129 0.01 . . . . . . . 38 GLU HG3 . 28037 1 445 . 1 . 1 38 38 GLU C C 13 176.721 0.15 . 1 . . . . . 38 GLU C . 28037 1 446 . 1 . 1 38 38 GLU CA C 13 59.957 0.1 . 1 . . . . . 38 GLU CA . 28037 1 447 . 1 . 1 38 38 GLU CB C 13 29.878 0.1 . 1 . . . . . 38 GLU CB . 28037 1 448 . 1 . 1 38 38 GLU CG C 13 37.707 0.1 . 1 . . . . . 38 GLU CG . 28037 1 449 . 1 . 1 38 38 GLU N N 15 121.825 0.1 . 1 . . . . . 38 GLU N . 28037 1 450 . 1 . 1 39 39 ASN H H 1 7.675 0.01 . 1 . . . . . 39 ASN H . 28037 1 451 . 1 . 1 39 39 ASN HA H 1 4.452 0.01 . 1 . . . . . 39 ASN HA . 28037 1 452 . 1 . 1 39 39 ASN HB2 H 1 3.18 0.01 . . . . . . . 39 ASN HB2 . 28037 1 453 . 1 . 1 39 39 ASN HB3 H 1 2.733 0.01 . . . . . . . 39 ASN HB3 . 28037 1 454 . 1 . 1 39 39 ASN HD21 H 1 6.64 0.01 . . . . . . . 39 ASN HD21 . 28037 1 455 . 1 . 1 39 39 ASN HD22 H 1 7.311 0.01 . . . . . . . 39 ASN HD22 . 28037 1 456 . 1 . 1 39 39 ASN C C 13 176.411 0.15 . 1 . . . . . 39 ASN C . 28037 1 457 . 1 . 1 39 39 ASN CA C 13 52.658 0.1 . 1 . . . . . 39 ASN CA . 28037 1 458 . 1 . 1 39 39 ASN CB C 13 37.167 0.1 . 1 . . . . . 39 ASN CB . 28037 1 459 . 1 . 1 39 39 ASN CG C 13 175.946 0.1 . 1 . . . . . 39 ASN CG . 28037 1 460 . 1 . 1 39 39 ASN N N 15 114.155 0.1 . 1 . . . . . 39 ASN N . 28037 1 461 . 1 . 1 39 39 ASN ND2 N 15 107.971 0.1 . 1 . . . . . 39 ASN ND2 . 28037 1 462 . 1 . 1 40 40 GLY H H 1 8.081 0.01 . 1 . . . . . 40 GLY H . 28037 1 463 . 1 . 1 40 40 GLY HA2 H 1 4.243 0.01 . . . . . . . 40 GLY HA2 . 28037 1 464 . 1 . 1 40 40 GLY HA3 H 1 3.567 0.01 . . . . . . . 40 GLY HA3 . 28037 1 465 . 1 . 1 40 40 GLY C C 13 174.093 0.15 . 1 . . . . . 40 GLY C . 28037 1 466 . 1 . 1 40 40 GLY CA C 13 44.707 0.1 . 1 . . . . . 40 GLY CA . 28037 1 467 . 1 . 1 40 40 GLY N N 15 108.008 0.1 . 1 . . . . . 40 GLY N . 28037 1 468 . 1 . 1 41 41 GLN H H 1 7.887 0.01 . 1 . . . . . 41 GLN H . 28037 1 469 . 1 . 1 41 41 GLN HA H 1 4.113 0.01 . 1 . . . . . 41 GLN HA . 28037 1 470 . 1 . 1 41 41 GLN HB2 H 1 2.069 0.01 . . . . . . . 41 GLN HB2 . 28037 1 471 . 1 . 1 41 41 GLN HB3 H 1 2.015 0.01 . . . . . . . 41 GLN HB3 . 28037 1 472 . 1 . 1 41 41 GLN HG2 H 1 2.246 0.01 . . . . . . . 41 GLN HG2 . 28037 1 473 . 1 . 1 41 41 GLN HG3 H 1 2.246 0.01 . . . . . . . 41 GLN HG3 . 28037 1 474 . 1 . 1 41 41 GLN HE21 H 1 6.862 0.01 . . . . . . . 41 GLN HE21 . 28037 1 475 . 1 . 1 41 41 GLN HE22 H 1 7.555 0.01 . . . . . . . 41 GLN HE22 . 28037 1 476 . 1 . 1 41 41 GLN C C 13 175.423 0.15 . 1 . . . . . 41 GLN C . 28037 1 477 . 1 . 1 41 41 GLN CA C 13 56.329 0.1 . 1 . . . . . 41 GLN CA . 28037 1 478 . 1 . 1 41 41 GLN CB C 13 29.18 0.1 . 1 . . . . . 41 GLN CB . 28037 1 479 . 1 . 1 41 41 GLN CG C 13 33.513 0.1 . 1 . . . . . 41 GLN CG . 28037 1 480 . 1 . 1 41 41 GLN CD C 13 180.324 0.1 . 1 . . . . . 41 GLN CD . 28037 1 481 . 1 . 1 41 41 GLN N N 15 120.419 0.1 . 1 . . . . . 41 GLN N . 28037 1 482 . 1 . 1 41 41 GLN NE2 N 15 112.755 0.1 . 1 . . . . . 41 GLN NE2 . 28037 1 483 . 1 . 1 42 42 LYS H H 1 8.71 0.01 . 1 . . . . . 42 LYS H . 28037 1 484 . 1 . 1 42 42 LYS HA H 1 4.466 0.01 . 1 . . . . . 42 LYS HA . 28037 1 485 . 1 . 1 42 42 LYS HB2 H 1 1.659 0.01 . . . . . . . 42 LYS HB2 . 28037 1 486 . 1 . 1 42 42 LYS HB3 H 1 1.659 0.01 . . . . . . . 42 LYS HB3 . 28037 1 487 . 1 . 1 42 42 LYS HE2 H 1 2.731 0.01 . . . . . . . 42 LYS HE2 . 28037 1 488 . 1 . 1 42 42 LYS HE3 H 1 2.731 0.01 . . . . . . . 42 LYS HE3 . 28037 1 489 . 1 . 1 42 42 LYS C C 13 176.534 0.15 . 1 . . . . . 42 LYS C . 28037 1 490 . 1 . 1 42 42 LYS CA C 13 56.825 0.1 . 1 . . . . . 42 LYS CA . 28037 1 491 . 1 . 1 42 42 LYS CB C 13 32.691 0.1 . 1 . . . . . 42 LYS CB . 28037 1 492 . 1 . 1 42 42 LYS CE C 13 41.65 0.1 . 1 . . . . . 42 LYS CE . 28037 1 493 . 1 . 1 42 42 LYS N N 15 128.715 0.1 . 1 . . . . . 42 LYS N . 28037 1 494 . 1 . 1 43 43 PHE H H 1 8.199 0.01 . 1 . . . . . 43 PHE H . 28037 1 495 . 1 . 1 43 43 PHE HA H 1 5.11 0.01 . 1 . . . . . 43 PHE HA . 28037 1 496 . 1 . 1 43 43 PHE HB2 H 1 3.223 0.01 . . . . . . . 43 PHE HB2 . 28037 1 497 . 1 . 1 43 43 PHE HB3 H 1 3.223 0.01 . . . . . . . 43 PHE HB3 . 28037 1 498 . 1 . 1 43 43 PHE HD1 H 1 6.94 0.01 . . . . . . . 43 PHE HD1 . 28037 1 499 . 1 . 1 43 43 PHE HD2 H 1 6.94 0.01 . . . . . . . 43 PHE HD2 . 28037 1 500 . 1 . 1 43 43 PHE HE1 H 1 7.22 0.01 . . . . . . . 43 PHE HE1 . 28037 1 501 . 1 . 1 43 43 PHE HE2 H 1 7.22 0.01 . . . . . . . 43 PHE HE2 . 28037 1 502 . 1 . 1 43 43 PHE HZ H 1 6.744 0.01 . 1 . . . . . 43 PHE HZ . 28037 1 503 . 1 . 1 43 43 PHE C C 13 173.669 0.15 . 1 . . . . . 43 PHE C . 28037 1 504 . 1 . 1 43 43 PHE CA C 13 56.34 0.1 . 1 . . . . . 43 PHE CA . 28037 1 505 . 1 . 1 43 43 PHE CB C 13 41.356 0.1 . 1 . . . . . 43 PHE CB . 28037 1 506 . 1 . 1 43 43 PHE CD1 C 13 132.614 0.1 . . . . . . . 43 PHE CD1 . 28037 1 507 . 1 . 1 43 43 PHE CD2 C 13 132.614 0.1 . . . . . . . 43 PHE CD2 . 28037 1 508 . 1 . 1 43 43 PHE CE1 C 13 131.147 0.1 . . . . . . . 43 PHE CE1 . 28037 1 509 . 1 . 1 43 43 PHE CE2 C 13 131.147 0.1 . . . . . . . 43 PHE CE2 . 28037 1 510 . 1 . 1 43 43 PHE CZ C 13 132.751 0.1 . 1 . . . . . 43 PHE CZ . 28037 1 511 . 1 . 1 43 43 PHE N N 15 120.953 0.1 . 1 . . . . . 43 PHE N . 28037 1 512 . 1 . 1 44 44 ASP H H 1 6.649 0.01 . 1 . . . . . 44 ASP H . 28037 1 513 . 1 . 1 44 44 ASP HA H 1 4.79 0.01 . 1 . . . . . 44 ASP HA . 28037 1 514 . 1 . 1 44 44 ASP HB2 H 1 3.346 0.01 . . . . . . . 44 ASP HB2 . 28037 1 515 . 1 . 1 44 44 ASP HB3 H 1 2.134 0.01 . . . . . . . 44 ASP HB3 . 28037 1 516 . 1 . 1 44 44 ASP C C 13 174.59 0.15 . 1 . . . . . 44 ASP C . 28037 1 517 . 1 . 1 44 44 ASP CA C 13 55.044 0.1 . 1 . . . . . 44 ASP CA . 28037 1 518 . 1 . 1 44 44 ASP CB C 13 44.334 0.1 . 1 . . . . . 44 ASP CB . 28037 1 519 . 1 . 1 44 44 ASP N N 15 117.891 0.1 . 1 . . . . . 44 ASP N . 28037 1 520 . 1 . 1 45 45 SER H H 1 8.121 0.01 . 1 . . . . . 45 SER H . 28037 1 521 . 1 . 1 45 45 SER HA H 1 4.629 0.01 . 1 . . . . . 45 SER HA . 28037 1 522 . 1 . 1 45 45 SER HB2 H 1 4.011 0.01 . . . . . . . 45 SER HB2 . 28037 1 523 . 1 . 1 45 45 SER HB3 H 1 3.578 0.01 . . . . . . . 45 SER HB3 . 28037 1 524 . 1 . 1 45 45 SER C C 13 174.707 0.15 . 1 . . . . . 45 SER C . 28037 1 525 . 1 . 1 45 45 SER CA C 13 57.019 0.1 . 1 . . . . . 45 SER CA . 28037 1 526 . 1 . 1 45 45 SER CB C 13 64.458 0.1 . 1 . . . . . 45 SER CB . 28037 1 527 . 1 . 1 45 45 SER N N 15 118.495 0.1 . 1 . . . . . 45 SER N . 28037 1 528 . 1 . 1 46 46 SER H H 1 7.925 0.01 . 1 . . . . . 46 SER H . 28037 1 529 . 1 . 1 46 46 SER HA H 1 3.983 0.01 . . . . . . . 46 SER HA . 28037 1 530 . 1 . 1 46 46 SER C C 13 176.198 0.15 . 1 . . . . . 46 SER C . 28037 1 531 . 1 . 1 46 46 SER CA C 13 61.76 0.1 . 1 . . . . . 46 SER CA . 28037 1 532 . 1 . 1 46 46 SER N N 15 125.82 0.1 . 1 . . . . . 46 SER N . 28037 1 533 . 1 . 1 47 47 VAL H H 1 7.14 0.01 . 1 . . . . . 47 VAL H . 28037 1 534 . 1 . 1 47 47 VAL HA H 1 2.925 0.01 . 1 . . . . . 47 VAL HA . 28037 1 535 . 1 . 1 47 47 VAL HB H 1 1.454 0.01 . 1 . . . . . 47 VAL HB . 28037 1 536 . 1 . 1 47 47 VAL HG11 H 1 0.309 0.01 . . . . . . . 47 VAL MG1 . 28037 1 537 . 1 . 1 47 47 VAL HG12 H 1 0.309 0.01 . . . . . . . 47 VAL MG1 . 28037 1 538 . 1 . 1 47 47 VAL HG13 H 1 0.309 0.01 . . . . . . . 47 VAL MG1 . 28037 1 539 . 1 . 1 47 47 VAL HG21 H 1 0.519 0.01 . . . . . . . 47 VAL MG2 . 28037 1 540 . 1 . 1 47 47 VAL HG22 H 1 0.519 0.01 . . . . . . . 47 VAL MG2 . 28037 1 541 . 1 . 1 47 47 VAL HG23 H 1 0.519 0.01 . . . . . . . 47 VAL MG2 . 28037 1 542 . 1 . 1 47 47 VAL C C 13 179.848 0.15 . 1 . . . . . 47 VAL C . 28037 1 543 . 1 . 1 47 47 VAL CA C 13 65.796 0.1 . 1 . . . . . 47 VAL CA . 28037 1 544 . 1 . 1 47 47 VAL CB C 13 31.497 0.1 . 1 . . . . . 47 VAL CB . 28037 1 545 . 1 . 1 47 47 VAL CG1 C 13 21.345 0.1 . . . . . . . 47 VAL CG1 . 28037 1 546 . 1 . 1 47 47 VAL CG2 C 13 20.486 0.1 . . . . . . . 47 VAL CG2 . 28037 1 547 . 1 . 1 47 47 VAL N N 15 126.163 0.1 . 1 . . . . . 47 VAL N . 28037 1 548 . 1 . 1 48 48 ASP H H 1 7.297 0.01 . 1 . . . . . 48 ASP H . 28037 1 549 . 1 . 1 48 48 ASP HA H 1 4.152 0.01 . 1 . . . . . 48 ASP HA . 28037 1 550 . 1 . 1 48 48 ASP HB2 H 1 2.669 0.01 . . . . . . . 48 ASP HB2 . 28037 1 551 . 1 . 1 48 48 ASP HB3 H 1 2.488 0.01 . . . . . . . 48 ASP HB3 . 28037 1 552 . 1 . 1 48 48 ASP C C 13 177.471 0.15 . 1 . . . . . 48 ASP C . 28037 1 553 . 1 . 1 48 48 ASP CA C 13 56.51 0.1 . 1 . . . . . 48 ASP CA . 28037 1 554 . 1 . 1 48 48 ASP CB C 13 40.109 0.1 . 1 . . . . . 48 ASP CB . 28037 1 555 . 1 . 1 48 48 ASP N N 15 119.414 0.1 . 1 . . . . . 48 ASP N . 28037 1 556 . 1 . 1 49 49 ARG H H 1 6.945 0.01 . 1 . . . . . 49 ARG H . 28037 1 557 . 1 . 1 49 49 ARG HA H 1 4.251 0.01 . 1 . . . . . 49 ARG HA . 28037 1 558 . 1 . 1 49 49 ARG HB2 H 1 2.072 0.01 . . . . . . . 49 ARG HB2 . 28037 1 559 . 1 . 1 49 49 ARG HB3 H 1 1.949 0.01 . . . . . . . 49 ARG HB3 . 28037 1 560 . 1 . 1 49 49 ARG HG2 H 1 1.865 0.01 . . . . . . . 49 ARG HG2 . 28037 1 561 . 1 . 1 49 49 ARG HG3 H 1 1.553 0.01 . . . . . . . 49 ARG HG3 . 28037 1 562 . 1 . 1 49 49 ARG HD2 H 1 3.492 0.01 . . . . . . . 49 ARG HD2 . 28037 1 563 . 1 . 1 49 49 ARG HD3 H 1 3.245 0.01 . . . . . . . 49 ARG HD3 . 28037 1 564 . 1 . 1 49 49 ARG C C 13 177.387 0.15 . 1 . . . . . 49 ARG C . 28037 1 565 . 1 . 1 49 49 ARG CA C 13 57.781 0.1 . 1 . . . . . 49 ARG CA . 28037 1 566 . 1 . 1 49 49 ARG CB C 13 31.622 0.1 . 1 . . . . . 49 ARG CB . 28037 1 567 . 1 . 1 49 49 ARG CG C 13 29.025 0.1 . 1 . . . . . 49 ARG CG . 28037 1 568 . 1 . 1 49 49 ARG CD C 13 43.784 0.1 . 1 . . . . . 49 ARG CD . 28037 1 569 . 1 . 1 49 49 ARG N N 15 115.818 0.1 . 1 . . . . . 49 ARG N . 28037 1 570 . 1 . 1 50 50 GLY H H 1 7.801 0.01 . 1 . . . . . 50 GLY H . 28037 1 571 . 1 . 1 50 50 GLY HA2 H 1 4.173 0.01 . . . . . . . 50 GLY HA2 . 28037 1 572 . 1 . 1 50 50 GLY HA3 H 1 3.772 0.01 . . . . . . . 50 GLY HA3 . 28037 1 573 . 1 . 1 50 50 GLY C C 13 173.839 0.15 . 1 . . . . . 50 GLY C . 28037 1 574 . 1 . 1 50 50 GLY CA C 13 45.552 0.1 . 1 . . . . . 50 GLY CA . 28037 1 575 . 1 . 1 50 50 GLY N N 15 107.115 0.1 . 1 . . . . . 50 GLY N . 28037 1 576 . 1 . 1 51 51 SER H H 1 7.321 0.01 . 1 . . . . . 51 SER H . 28037 1 577 . 1 . 1 51 51 SER HA H 1 5.003 0.01 . 1 . . . . . 51 SER HA . 28037 1 578 . 1 . 1 51 51 SER HB2 H 1 3.741 0.01 . . . . . . . 51 SER HB2 . 28037 1 579 . 1 . 1 51 51 SER HB3 H 1 3.623 0.01 . . . . . . . 51 SER HB3 . 28037 1 580 . 1 . 1 51 51 SER C C 13 170.786 0.15 . 1 . . . . . 51 SER C . 28037 1 581 . 1 . 1 51 51 SER CA C 13 55.058 0.1 . 1 . . . . . 51 SER CA . 28037 1 582 . 1 . 1 51 51 SER CB C 13 64.895 0.1 . 1 . . . . . 51 SER CB . 28037 1 583 . 1 . 1 51 51 SER N N 15 112.369 0.1 . 1 . . . . . 51 SER N . 28037 1 584 . 1 . 1 52 52 PRO HA H 1 3.907 0.01 . 1 . . . . . 52 PRO HA . 28037 1 585 . 1 . 1 52 52 PRO HB2 H 1 1.33 0.01 . . . . . . . 52 PRO HB2 . 28037 1 586 . 1 . 1 52 52 PRO HB3 H 1 1.017 0.01 . . . . . . . 52 PRO HB3 . 28037 1 587 . 1 . 1 52 52 PRO HG2 H 1 1.544 0.01 . . . . . . . 52 PRO HG2 . 28037 1 588 . 1 . 1 52 52 PRO HG3 H 1 1.213 0.01 . . . . . . . 52 PRO HG3 . 28037 1 589 . 1 . 1 52 52 PRO HD2 H 1 3.587 0.01 . . . . . . . 52 PRO HD2 . 28037 1 590 . 1 . 1 52 52 PRO HD3 H 1 3.524 0.01 . . . . . . . 52 PRO HD3 . 28037 1 591 . 1 . 1 52 52 PRO C C 13 174.131 0.15 . 1 . . . . . 52 PRO C . 28037 1 592 . 1 . 1 52 52 PRO CA C 13 62.742 0.1 . 1 . . . . . 52 PRO CA . 28037 1 593 . 1 . 1 52 52 PRO CB C 13 32.34 0.1 . 1 . . . . . 52 PRO CB . 28037 1 594 . 1 . 1 52 52 PRO CG C 13 26.733 0.1 . 1 . . . . . 52 PRO CG . 28037 1 595 . 1 . 1 52 52 PRO CD C 13 50.459 0.1 . 1 . . . . . 52 PRO CD . 28037 1 596 . 1 . 1 53 53 PHE H H 1 8.972 0.01 . 1 . . . . . 53 PHE H . 28037 1 597 . 1 . 1 53 53 PHE HA H 1 4.772 0.01 . 1 . . . . . 53 PHE HA . 28037 1 598 . 1 . 1 53 53 PHE HB2 H 1 3.384 0.01 . . . . . . . 53 PHE HB2 . 28037 1 599 . 1 . 1 53 53 PHE HB3 H 1 3.384 0.01 . . . . . . . 53 PHE HB3 . 28037 1 600 . 1 . 1 53 53 PHE HD1 H 1 7.214 0.01 . . . . . . . 53 PHE HD1 . 28037 1 601 . 1 . 1 53 53 PHE HD2 H 1 7.214 0.01 . . . . . . . 53 PHE HD2 . 28037 1 602 . 1 . 1 53 53 PHE HE1 H 1 7.357 0.01 . . . . . . . 53 PHE HE1 . 28037 1 603 . 1 . 1 53 53 PHE HE2 H 1 7.357 0.01 . . . . . . . 53 PHE HE2 . 28037 1 604 . 1 . 1 53 53 PHE HZ H 1 7.30 0.01 . 1 . . . . . 53 PHE HZ . 28037 1 605 . 1 . 1 53 53 PHE C C 13 173.25 0.15 . 1 . . . . . 53 PHE C . 28037 1 606 . 1 . 1 53 53 PHE CA C 13 57.285 0.1 . 1 . . . . . 53 PHE CA . 28037 1 607 . 1 . 1 53 53 PHE CB C 13 42.841 0.1 . 1 . . . . . 53 PHE CB . 28037 1 608 . 1 . 1 53 53 PHE CD1 C 13 131.207 0.1 . . . . . . . 53 PHE CD1 . 28037 1 609 . 1 . 1 53 53 PHE CD2 C 13 131.207 0.1 . . . . . . . 53 PHE CD2 . 28037 1 610 . 1 . 1 53 53 PHE CE1 C 13 131.735 0.1 . . . . . . . 53 PHE CE1 . 28037 1 611 . 1 . 1 53 53 PHE CE2 C 13 131.735 0.1 . . . . . . . 53 PHE CE2 . 28037 1 612 . 1 . 1 53 53 PHE CZ C 13 131.911 0.1 . 1 . . . . . 53 PHE CZ . 28037 1 613 . 1 . 1 53 53 PHE N N 15 123.45 0.1 . 1 . . . . . 53 PHE N . 28037 1 614 . 1 . 1 54 54 GLN H H 1 7.576 0.01 . 1 . . . . . 54 GLN H . 28037 1 615 . 1 . 1 54 54 GLN HA H 1 5.646 0.01 . 1 . . . . . 54 GLN HA . 28037 1 616 . 1 . 1 54 54 GLN HB2 H 1 1.579 0.01 . . . . . . . 54 GLN HB2 . 28037 1 617 . 1 . 1 54 54 GLN HB3 H 1 1.579 0.01 . . . . . . . 54 GLN HB3 . 28037 1 618 . 1 . 1 54 54 GLN HG2 H 1 2.149 0.01 . . . . . . . 54 GLN HG2 . 28037 1 619 . 1 . 1 54 54 GLN HG3 H 1 1.994 0.01 . . . . . . . 54 GLN HG3 . 28037 1 620 . 1 . 1 54 54 GLN HE21 H 1 6.715 0.01 . . . . . . . 54 GLN HE21 . 28037 1 621 . 1 . 1 54 54 GLN HE22 H 1 7.208 0.01 . . . . . . . 54 GLN HE22 . 28037 1 622 . 1 . 1 54 54 GLN C C 13 173.968 0.15 . 1 . . . . . 54 GLN C . 28037 1 623 . 1 . 1 54 54 GLN CA C 13 53.22 0.1 . 1 . . . . . 54 GLN CA . 28037 1 624 . 1 . 1 54 54 GLN CB C 13 32.439 0.1 . 1 . . . . . 54 GLN CB . 28037 1 625 . 1 . 1 54 54 GLN CG C 13 34.329 0.1 . 1 . . . . . 54 GLN CG . 28037 1 626 . 1 . 1 54 54 GLN CD C 13 180.608 0.1 . 1 . . . . . 54 GLN CD . 28037 1 627 . 1 . 1 54 54 GLN N N 15 124.489 0.1 . 1 . . . . . 54 GLN N . 28037 1 628 . 1 . 1 54 54 GLN NE2 N 15 112.965 0.1 . 1 . . . . . 54 GLN NE2 . 28037 1 629 . 1 . 1 55 55 CYS H H 1 8.243 0.01 . 1 . . . . . 55 CYS H . 28037 1 630 . 1 . 1 55 55 CYS HA H 1 4.597 0.01 . 1 . . . . . 55 CYS HA . 28037 1 631 . 1 . 1 55 55 CYS HB2 H 1 2.953 0.01 . . . . . . . 55 CYS HB2 . 28037 1 632 . 1 . 1 55 55 CYS HB3 H 1 2.877 0.01 . . . . . . . 55 CYS HB3 . 28037 1 633 . 1 . 1 55 55 CYS C C 13 172.075 0.15 . 1 . . . . . 55 CYS C . 28037 1 634 . 1 . 1 55 55 CYS CA C 13 55.182 0.1 . 1 . . . . . 55 CYS CA . 28037 1 635 . 1 . 1 55 55 CYS CB C 13 30.65 0.1 . 1 . . . . . 55 CYS CB . 28037 1 636 . 1 . 1 55 55 CYS N N 15 113.329 0.1 . 1 . . . . . 55 CYS N . 28037 1 637 . 1 . 1 56 56 ASN H H 1 8.52 0.01 . 1 . . . . . 56 ASN H . 28037 1 638 . 1 . 1 56 56 ASN HA H 1 5.469 0.01 . 1 . . . . . 56 ASN HA . 28037 1 639 . 1 . 1 56 56 ASN HB2 H 1 2.113 0.01 . . . . . . . 56 ASN HB2 . 28037 1 640 . 1 . 1 56 56 ASN HB3 H 1 2.113 0.01 . . . . . . . 56 ASN HB3 . 28037 1 641 . 1 . 1 56 56 ASN HD21 H 1 6.928 0.01 . . . . . . . 56 ASN HD21 . 28037 1 642 . 1 . 1 56 56 ASN HD22 H 1 7.038 0.01 . . . . . . . 56 ASN HD22 . 28037 1 643 . 1 . 1 56 56 ASN C C 13 174.266 0.15 . 1 . . . . . 56 ASN C . 28037 1 644 . 1 . 1 56 56 ASN CA C 13 53.553 0.1 . 1 . . . . . 56 ASN CA . 28037 1 645 . 1 . 1 56 56 ASN CB C 13 40.117 0.1 . 1 . . . . . 56 ASN CB . 28037 1 646 . 1 . 1 56 56 ASN CG C 13 176.198 0.1 . 1 . . . . . 56 ASN CG . 28037 1 647 . 1 . 1 56 56 ASN N N 15 119.222 0.1 . 1 . . . . . 56 ASN N . 28037 1 648 . 1 . 1 56 56 ASN ND2 N 15 110.265 0.1 . 1 . . . . . 56 ASN ND2 . 28037 1 649 . 1 . 1 57 57 ILE H H 1 8.908 0.01 . 1 . . . . . 57 ILE H . 28037 1 650 . 1 . 1 57 57 ILE HA H 1 4.539 0.01 . 1 . . . . . 57 ILE HA . 28037 1 651 . 1 . 1 57 57 ILE HB H 1 1.568 0.01 . 1 . . . . . 57 ILE HB . 28037 1 652 . 1 . 1 57 57 ILE HG12 H 1 1.386 0.01 . . . . . . . 57 ILE HG12 . 28037 1 653 . 1 . 1 57 57 ILE HG13 H 1 1.038 0.01 . . . . . . . 57 ILE HG13 . 28037 1 654 . 1 . 1 57 57 ILE HG21 H 1 0.808 0.01 . 1 . . . . . 57 ILE MG . 28037 1 655 . 1 . 1 57 57 ILE HG22 H 1 0.808 0.01 . 1 . . . . . 57 ILE MG . 28037 1 656 . 1 . 1 57 57 ILE HG23 H 1 0.808 0.01 . 1 . . . . . 57 ILE MG . 28037 1 657 . 1 . 1 57 57 ILE HD11 H 1 0.978 0.01 . 1 . . . . . 57 ILE MD . 28037 1 658 . 1 . 1 57 57 ILE HD12 H 1 0.978 0.01 . 1 . . . . . 57 ILE MD . 28037 1 659 . 1 . 1 57 57 ILE HD13 H 1 0.978 0.01 . 1 . . . . . 57 ILE MD . 28037 1 660 . 1 . 1 57 57 ILE C C 13 173.527 0.15 . 1 . . . . . 57 ILE C . 28037 1 661 . 1 . 1 57 57 ILE CA C 13 55.924 0.1 . 1 . . . . . 57 ILE CA . 28037 1 662 . 1 . 1 57 57 ILE CB C 13 42.707 0.1 . 1 . . . . . 57 ILE CB . 28037 1 663 . 1 . 1 57 57 ILE CG1 C 13 30.155 0.1 . 1 . . . . . 57 ILE CG1 . 28037 1 664 . 1 . 1 57 57 ILE CG2 C 13 20.215 0.1 . 1 . . . . . 57 ILE CG2 . 28037 1 665 . 1 . 1 57 57 ILE CD1 C 13 14.097 0.1 . 1 . . . . . 57 ILE CD1 . 28037 1 666 . 1 . 1 57 57 ILE N N 15 124.529 0.1 . 1 . . . . . 57 ILE N . 28037 1 667 . 1 . 1 58 58 GLY H H 1 8.733 0.01 . 1 . . . . . 58 GLY H . 28037 1 668 . 1 . 1 58 58 GLY HA2 H 1 4.07 0.01 . . . . . . . 58 GLY HA2 . 28037 1 669 . 1 . 1 58 58 GLY HA3 H 1 3.481 0.01 . . . . . . . 58 GLY HA3 . 28037 1 670 . 1 . 1 58 58 GLY C C 13 173.901 0.15 . 1 . . . . . 58 GLY C . 28037 1 671 . 1 . 1 58 58 GLY CA C 13 46.134 0.1 . 1 . . . . . 58 GLY CA . 28037 1 672 . 1 . 1 58 58 GLY N N 15 114.108 0.1 . 1 . . . . . 58 GLY N . 28037 1 673 . 1 . 1 59 59 VAL H H 1 8.31 0.01 . 1 . . . . . 59 VAL H . 28037 1 674 . 1 . 1 59 59 VAL HA H 1 4.641 0.01 . 1 . . . . . 59 VAL HA . 28037 1 675 . 1 . 1 59 59 VAL HB H 1 2.483 0.01 . 1 . . . . . 59 VAL HB . 28037 1 676 . 1 . 1 59 59 VAL HG11 H 1 0.691 0.01 . . . . . . . 59 VAL MG1 . 28037 1 677 . 1 . 1 59 59 VAL HG12 H 1 0.691 0.01 . . . . . . . 59 VAL MG1 . 28037 1 678 . 1 . 1 59 59 VAL HG13 H 1 0.691 0.01 . . . . . . . 59 VAL MG1 . 28037 1 679 . 1 . 1 59 59 VAL HG21 H 1 0.496 0.01 . . . . . . . 59 VAL MG2 . 28037 1 680 . 1 . 1 59 59 VAL HG22 H 1 0.496 0.01 . . . . . . . 59 VAL MG2 . 28037 1 681 . 1 . 1 59 59 VAL HG23 H 1 0.496 0.01 . . . . . . . 59 VAL MG2 . 28037 1 682 . 1 . 1 59 59 VAL C C 13 176.097 0.15 . 1 . . . . . 59 VAL C . 28037 1 683 . 1 . 1 59 59 VAL CA C 13 59.693 0.1 . 1 . . . . . 59 VAL CA . 28037 1 684 . 1 . 1 59 59 VAL CB C 13 33.032 0.1 . 1 . . . . . 59 VAL CB . 28037 1 685 . 1 . 1 59 59 VAL CG1 C 13 21.142 0.1 . . . . . . . 59 VAL CG1 . 28037 1 686 . 1 . 1 59 59 VAL CG2 C 13 18.672 0.1 . . . . . . . 59 VAL CG2 . 28037 1 687 . 1 . 1 59 59 VAL N N 15 110.034 0.1 . 1 . . . . . 59 VAL N . 28037 1 688 . 1 . 1 60 60 GLY H H 1 8.94 0.01 . 1 . . . . . 60 GLY H . 28037 1 689 . 1 . 1 60 60 GLY HA2 H 1 4.016 0.01 . . . . . . . 60 GLY HA2 . 28037 1 690 . 1 . 1 60 60 GLY HA3 H 1 3.887 0.01 . . . . . . . 60 GLY HA3 . 28037 1 691 . 1 . 1 60 60 GLY C C 13 175.333 0.15 . 1 . . . . . 60 GLY C . 28037 1 692 . 1 . 1 60 60 GLY CA C 13 46.315 0.1 . 1 . . . . . 60 GLY CA . 28037 1 693 . 1 . 1 60 60 GLY N N 15 113.577 0.1 . 1 . . . . . 60 GLY N . 28037 1 694 . 1 . 1 61 61 GLN H H 1 9.36 0.01 . 1 . . . . . 61 GLN H . 28037 1 695 . 1 . 1 61 61 GLN HA H 1 4.235 0.01 . 1 . . . . . 61 GLN HA . 28037 1 696 . 1 . 1 61 61 GLN HB2 H 1 2.319 0.01 . . . . . . . 61 GLN HB2 . 28037 1 697 . 1 . 1 61 61 GLN HB3 H 1 1.856 0.01 . . . . . . . 61 GLN HB3 . 28037 1 698 . 1 . 1 61 61 GLN HG2 H 1 2.411 0.01 . . . . . . . 61 GLN HG2 . 28037 1 699 . 1 . 1 61 61 GLN HG3 H 1 2.352 0.01 . . . . . . . 61 GLN HG3 . 28037 1 700 . 1 . 1 61 61 GLN HE21 H 1 6.902 0.01 . . . . . . . 61 GLN HE21 . 28037 1 701 . 1 . 1 61 61 GLN HE22 H 1 7.549 0.01 . . . . . . . 61 GLN HE22 . 28037 1 702 . 1 . 1 61 61 GLN C C 13 174.666 0.15 . 1 . . . . . 61 GLN C . 28037 1 703 . 1 . 1 61 61 GLN CA C 13 56.777 0.1 . 1 . . . . . 61 GLN CA . 28037 1 704 . 1 . 1 61 61 GLN CB C 13 29.786 0.1 . 1 . . . . . 61 GLN CB . 28037 1 705 . 1 . 1 61 61 GLN CG C 13 34.775 0.1 . 1 . . . . . 61 GLN CG . 28037 1 706 . 1 . 1 61 61 GLN CD C 13 177.95 0.1 . 1 . . . . . 61 GLN CD . 28037 1 707 . 1 . 1 61 61 GLN N N 15 119.255 0.1 . 1 . . . . . 61 GLN N . 28037 1 708 . 1 . 1 61 61 GLN NE2 N 15 111.379 0.1 . 1 . . . . . 61 GLN NE2 . 28037 1 709 . 1 . 1 62 62 VAL H H 1 6.883 0.01 . 1 . . . . . 62 VAL H . 28037 1 710 . 1 . 1 62 62 VAL HA H 1 4.521 0.01 . 1 . . . . . 62 VAL HA . 28037 1 711 . 1 . 1 62 62 VAL HB H 1 1.956 0.01 . 1 . . . . . 62 VAL HB . 28037 1 712 . 1 . 1 62 62 VAL HG11 H 1 1.139 0.01 . . . . . . . 62 VAL MG1 . 28037 1 713 . 1 . 1 62 62 VAL HG12 H 1 1.139 0.01 . . . . . . . 62 VAL MG1 . 28037 1 714 . 1 . 1 62 62 VAL HG13 H 1 1.139 0.01 . . . . . . . 62 VAL MG1 . 28037 1 715 . 1 . 1 62 62 VAL HG21 H 1 0.874 0.01 . . . . . . . 62 VAL MG2 . 28037 1 716 . 1 . 1 62 62 VAL HG22 H 1 0.874 0.01 . . . . . . . 62 VAL MG2 . 28037 1 717 . 1 . 1 62 62 VAL HG23 H 1 0.874 0.01 . . . . . . . 62 VAL MG2 . 28037 1 718 . 1 . 1 62 62 VAL C C 13 174.787 0.15 . 1 . . . . . 62 VAL C . 28037 1 719 . 1 . 1 62 62 VAL CA C 13 57.881 0.1 . 1 . . . . . 62 VAL CA . 28037 1 720 . 1 . 1 62 62 VAL CB C 13 36.616 0.1 . 1 . . . . . 62 VAL CB . 28037 1 721 . 1 . 1 62 62 VAL CG1 C 13 23.425 0.1 . . . . . . . 62 VAL CG1 . 28037 1 722 . 1 . 1 62 62 VAL CG2 C 13 19.525 0.1 . . . . . . . 62 VAL CG2 . 28037 1 723 . 1 . 1 62 62 VAL N N 15 108.137 0.1 . 1 . . . . . 62 VAL N . 28037 1 724 . 1 . 1 63 63 ILE H H 1 6.945 0.01 . 1 . . . . . 63 ILE H . 28037 1 725 . 1 . 1 63 63 ILE HA H 1 3.691 0.01 . 1 . . . . . 63 ILE HA . 28037 1 726 . 1 . 1 63 63 ILE HB H 1 1.867 0.01 . 1 . . . . . 63 ILE HB . 28037 1 727 . 1 . 1 63 63 ILE HG12 H 1 0.657 0.01 . . . . . . . 63 ILE HG12 . 28037 1 728 . 1 . 1 63 63 ILE HG13 H 1 0.061 0.01 . . . . . . . 63 ILE HG13 . 28037 1 729 . 1 . 1 63 63 ILE HG21 H 1 -0.01 0.01 . 1 . . . . . 63 ILE MG . 28037 1 730 . 1 . 1 63 63 ILE HG22 H 1 -0.01 0.01 . 1 . . . . . 63 ILE MG . 28037 1 731 . 1 . 1 63 63 ILE HG23 H 1 -0.01 0.01 . 1 . . . . . 63 ILE MG . 28037 1 732 . 1 . 1 63 63 ILE HD11 H 1 0.25 0.01 . 1 . . . . . 63 ILE MD . 28037 1 733 . 1 . 1 63 63 ILE HD12 H 1 0.25 0.01 . 1 . . . . . 63 ILE MD . 28037 1 734 . 1 . 1 63 63 ILE HD13 H 1 0.25 0.01 . 1 . . . . . 63 ILE MD . 28037 1 735 . 1 . 1 63 63 ILE C C 13 176.83 0.15 . 1 . . . . . 63 ILE C . 28037 1 736 . 1 . 1 63 63 ILE CA C 13 62.281 0.1 . 1 . . . . . 63 ILE CA . 28037 1 737 . 1 . 1 63 63 ILE CB C 13 38.076 0.1 . 1 . . . . . 63 ILE CB . 28037 1 738 . 1 . 1 63 63 ILE CG1 C 13 24.55 0.1 . 1 . . . . . 63 ILE CG1 . 28037 1 739 . 1 . 1 63 63 ILE CG2 C 13 17.413 0.1 . 1 . . . . . 63 ILE CG2 . 28037 1 740 . 1 . 1 63 63 ILE CD1 C 13 14.093 0.1 . 1 . . . . . 63 ILE CD1 . 28037 1 741 . 1 . 1 63 63 ILE N N 15 110.86 0.1 . 1 . . . . . 63 ILE N . 28037 1 742 . 1 . 1 64 64 LYS H H 1 8.984 0.01 . 1 . . . . . 64 LYS H . 28037 1 743 . 1 . 1 64 64 LYS HA H 1 3.947 0.01 . 1 . . . . . 64 LYS HA . 28037 1 744 . 1 . 1 64 64 LYS HB2 H 1 1.143 0.01 . . . . . . . 64 LYS HB2 . 28037 1 745 . 1 . 1 64 64 LYS HB3 H 1 1.014 0.01 . . . . . . . 64 LYS HB3 . 28037 1 746 . 1 . 1 64 64 LYS HG2 H 1 1.213 0.01 . . . . . . . 64 LYS HG2 . 28037 1 747 . 1 . 1 64 64 LYS HG3 H 1 1.074 0.01 . . . . . . . 64 LYS HG3 . 28037 1 748 . 1 . 1 64 64 LYS HD2 H 1 1.223 0.01 . . . . . . . 64 LYS HD2 . 28037 1 749 . 1 . 1 64 64 LYS HD3 H 1 0.958 0.01 . . . . . . . 64 LYS HD3 . 28037 1 750 . 1 . 1 64 64 LYS HE2 H 1 2.573 0.01 . . . . . . . 64 LYS HE2 . 28037 1 751 . 1 . 1 64 64 LYS HE3 H 1 2.573 0.01 . . . . . . . 64 LYS HE3 . 28037 1 752 . 1 . 1 64 64 LYS C C 13 180.504 0.15 . 1 . . . . . 64 LYS C . 28037 1 753 . 1 . 1 64 64 LYS CA C 13 59.802 0.1 . 1 . . . . . 64 LYS CA . 28037 1 754 . 1 . 1 64 64 LYS CB C 13 32.605 0.1 . 1 . . . . . 64 LYS CB . 28037 1 755 . 1 . 1 64 64 LYS CG C 13 25.345 0.1 . 1 . . . . . 64 LYS CG . 28037 1 756 . 1 . 1 64 64 LYS CD C 13 29.144 0.1 . 1 . . . . . 64 LYS CD . 28037 1 757 . 1 . 1 64 64 LYS CE C 13 41.634 0.1 . 1 . . . . . 64 LYS CE . 28037 1 758 . 1 . 1 64 64 LYS N N 15 125.057 0.1 . 1 . . . . . 64 LYS N . 28037 1 759 . 1 . 1 65 65 GLY H H 1 9.788 0.01 . 1 . . . . . 65 GLY H . 28037 1 760 . 1 . 1 65 65 GLY HA2 H 1 4.082 0.01 . . . . . . . 65 GLY HA2 . 28037 1 761 . 1 . 1 65 65 GLY HA3 H 1 3.825 0.01 . . . . . . . 65 GLY HA3 . 28037 1 762 . 1 . 1 65 65 GLY C C 13 175.524 0.15 . 1 . . . . . 65 GLY C . 28037 1 763 . 1 . 1 65 65 GLY CA C 13 48.112 0.1 . 1 . . . . . 65 GLY CA . 28037 1 764 . 1 . 1 65 65 GLY N N 15 102.606 0.1 . 1 . . . . . 65 GLY N . 28037 1 765 . 1 . 1 66 66 TRP H H 1 7.57 0.01 . 1 . . . . . 66 TRP H . 28037 1 766 . 1 . 1 66 66 TRP HA H 1 4.404 0.01 . 1 . . . . . 66 TRP HA . 28037 1 767 . 1 . 1 66 66 TRP HB2 H 1 2.843 0.01 . . . . . . . 66 TRP HB2 . 28037 1 768 . 1 . 1 66 66 TRP HB3 H 1 2.843 0.01 . . . . . . . 66 TRP HB3 . 28037 1 769 . 1 . 1 66 66 TRP HD1 H 1 6.114 0.01 . 1 . . . . . 66 TRP HD1 . 28037 1 770 . 1 . 1 66 66 TRP HE1 H 1 5.351 0.01 . 1 . . . . . 66 TRP HE1 . 28037 1 771 . 1 . 1 66 66 TRP HE3 H 1 6.94 0.01 . 1 . . . . . 66 TRP HE3 . 28037 1 772 . 1 . 1 66 66 TRP HZ2 H 1 5.777 0.01 . 1 . . . . . 66 TRP HZ2 . 28037 1 773 . 1 . 1 66 66 TRP HZ3 H 1 6.575 0.01 . 1 . . . . . 66 TRP HZ3 . 28037 1 774 . 1 . 1 66 66 TRP HH2 H 1 5.456 0.01 . 1 . . . . . 66 TRP HH2 . 28037 1 775 . 1 . 1 66 66 TRP C C 13 176.956 0.15 . 1 . . . . . 66 TRP C . 28037 1 776 . 1 . 1 66 66 TRP CA C 13 59.245 0.1 . 1 . . . . . 66 TRP CA . 28037 1 777 . 1 . 1 66 66 TRP CB C 13 29.391 0.1 . 1 . . . . . 66 TRP CB . 28037 1 778 . 1 . 1 66 66 TRP CD1 C 13 120.071 0.1 . 1 . . . . . 66 TRP CD1 . 28037 1 779 . 1 . 1 66 66 TRP CE3 C 13 119.133 0.1 . 1 . . . . . 66 TRP CE3 . 28037 1 780 . 1 . 1 66 66 TRP CZ2 C 13 113.154 0.1 . 1 . . . . . 66 TRP CZ2 . 28037 1 781 . 1 . 1 66 66 TRP CZ3 C 13 121.595 0.1 . 1 . . . . . 66 TRP CZ3 . 28037 1 782 . 1 . 1 66 66 TRP CH2 C 13 124.349 0.1 . 1 . . . . . 66 TRP CH2 . 28037 1 783 . 1 . 1 66 66 TRP N N 15 120.374 0.1 . 1 . . . . . 66 TRP N . 28037 1 784 . 1 . 1 66 66 TRP NE1 N 15 117.842 0.1 . 1 . . . . . 66 TRP NE1 . 28037 1 785 . 1 . 1 67 67 ASP H H 1 7.365 0.01 . 1 . . . . . 67 ASP H . 28037 1 786 . 1 . 1 67 67 ASP HA H 1 4.39 0.01 . 1 . . . . . 67 ASP HA . 28037 1 787 . 1 . 1 67 67 ASP HB2 H 1 2.65 0.01 . . . . . . . 67 ASP HB2 . 28037 1 788 . 1 . 1 67 67 ASP HB3 H 1 2.562 0.01 . . . . . . . 67 ASP HB3 . 28037 1 789 . 1 . 1 67 67 ASP C C 13 177.036 0.15 . 1 . . . . . 67 ASP C . 28037 1 790 . 1 . 1 67 67 ASP CA C 13 57.693 0.1 . 1 . . . . . 67 ASP CA . 28037 1 791 . 1 . 1 67 67 ASP CB C 13 40.45 0.1 . 1 . . . . . 67 ASP CB . 28037 1 792 . 1 . 1 67 67 ASP N N 15 120.894 0.1 . 1 . . . . . 67 ASP N . 28037 1 793 . 1 . 1 68 68 ALA H H 1 8.101 0.01 . 1 . . . . . 68 ALA H . 28037 1 794 . 1 . 1 68 68 ALA HA H 1 4.268 0.01 . 1 . . . . . 68 ALA HA . 28037 1 795 . 1 . 1 68 68 ALA HB1 H 1 1.397 0.01 . 1 . . . . . 68 ALA MB . 28037 1 796 . 1 . 1 68 68 ALA HB2 H 1 1.397 0.01 . 1 . . . . . 68 ALA MB . 28037 1 797 . 1 . 1 68 68 ALA HB3 H 1 1.397 0.01 . 1 . . . . . 68 ALA MB . 28037 1 798 . 1 . 1 68 68 ALA C C 13 178.997 0.15 . 1 . . . . . 68 ALA C . 28037 1 799 . 1 . 1 68 68 ALA CA C 13 53.372 0.1 . 1 . . . . . 68 ALA CA . 28037 1 800 . 1 . 1 68 68 ALA CB C 13 19.016 0.1 . 1 . . . . . 68 ALA CB . 28037 1 801 . 1 . 1 68 68 ALA N N 15 116.423 0.1 . 1 . . . . . 68 ALA N . 28037 1 802 . 1 . 1 69 69 GLY H H 1 7.769 0.01 . 1 . . . . . 69 GLY H . 28037 1 803 . 1 . 1 69 69 GLY HA2 H 1 3.905 0.01 . . . . . . . 69 GLY HA2 . 28037 1 804 . 1 . 1 69 69 GLY HA3 H 1 3.381 0.01 . . . . . . . 69 GLY HA3 . 28037 1 805 . 1 . 1 69 69 GLY C C 13 173.607 0.15 . 1 . . . . . 69 GLY C . 28037 1 806 . 1 . 1 69 69 GLY CA C 13 46.948 0.1 . 1 . . . . . 69 GLY CA . 28037 1 807 . 1 . 1 69 69 GLY N N 15 102.458 0.1 . 1 . . . . . 69 GLY N . 28037 1 808 . 1 . 1 70 70 ILE H H 1 8.528 0.01 . 1 . . . . . 70 ILE H . 28037 1 809 . 1 . 1 70 70 ILE HA H 1 3.708 0.01 . 1 . . . . . 70 ILE HA . 28037 1 810 . 1 . 1 70 70 ILE HB H 1 1.973 0.01 . 1 . . . . . 70 ILE HB . 28037 1 811 . 1 . 1 70 70 ILE HG12 H 1 1.369 0.01 . . . . . . . 70 ILE HG12 . 28037 1 812 . 1 . 1 70 70 ILE HG13 H 1 0.629 0.01 . . . . . . . 70 ILE HG13 . 28037 1 813 . 1 . 1 70 70 ILE HG21 H 1 0.669 0.01 . 1 . . . . . 70 ILE MG . 28037 1 814 . 1 . 1 70 70 ILE HG22 H 1 0.669 0.01 . 1 . . . . . 70 ILE MG . 28037 1 815 . 1 . 1 70 70 ILE HG23 H 1 0.669 0.01 . 1 . . . . . 70 ILE MG . 28037 1 816 . 1 . 1 70 70 ILE HD11 H 1 0.061 0.01 . 1 . . . . . 70 ILE MD . 28037 1 817 . 1 . 1 70 70 ILE HD12 H 1 0.061 0.01 . 1 . . . . . 70 ILE MD . 28037 1 818 . 1 . 1 70 70 ILE HD13 H 1 0.061 0.01 . 1 . . . . . 70 ILE MD . 28037 1 819 . 1 . 1 70 70 ILE C C 13 174.618 0.15 . 1 . . . . . 70 ILE C . 28037 1 820 . 1 . 1 70 70 ILE CA C 13 66.734 0.1 . 1 . . . . . 70 ILE CA . 28037 1 821 . 1 . 1 70 70 ILE CB C 13 34.085 0.1 . 1 . . . . . 70 ILE CB . 28037 1 822 . 1 . 1 70 70 ILE CG1 C 13 30.534 0.1 . 1 . . . . . 70 ILE CG1 . 28037 1 823 . 1 . 1 70 70 ILE CG2 C 13 17.494 0.1 . 1 . . . . . 70 ILE CG2 . 28037 1 824 . 1 . 1 70 70 ILE CD1 C 13 11.749 0.1 . 1 . . . . . 70 ILE CD1 . 28037 1 825 . 1 . 1 70 70 ILE N N 15 120.127 0.1 . 1 . . . . . 70 ILE N . 28037 1 826 . 1 . 1 71 71 PRO HA H 1 4.299 0.01 . 1 . . . . . 71 PRO HA . 28037 1 827 . 1 . 1 71 71 PRO HB2 H 1 2.461 0.01 . . . . . . . 71 PRO HB2 . 28037 1 828 . 1 . 1 71 71 PRO HB3 H 1 2.461 0.01 . . . . . . . 71 PRO HB3 . 28037 1 829 . 1 . 1 71 71 PRO HG2 H 1 2.171 0.01 . . . . . . . 71 PRO HG2 . 28037 1 830 . 1 . 1 71 71 PRO HG3 H 1 2.171 0.01 . . . . . . . 71 PRO HG3 . 28037 1 831 . 1 . 1 71 71 PRO HD2 H 1 3.456 0.01 . . . . . . . 71 PRO HD2 . 28037 1 832 . 1 . 1 71 71 PRO HD3 H 1 3.025 0.01 . . . . . . . 71 PRO HD3 . 28037 1 833 . 1 . 1 71 71 PRO C C 13 175.129 0.15 . 1 . . . . . 71 PRO C . 28037 1 834 . 1 . 1 71 71 PRO CA C 13 65.279 0.1 . 1 . . . . . 71 PRO CA . 28037 1 835 . 1 . 1 71 71 PRO CB C 13 31.213 0.1 . 1 . . . . . 71 PRO CB . 28037 1 836 . 1 . 1 71 71 PRO CG C 13 29.203 0.1 . 1 . . . . . 71 PRO CG . 28037 1 837 . 1 . 1 71 71 PRO CD C 13 51.537 0.1 . 1 . . . . . 71 PRO CD . 28037 1 838 . 1 . 1 72 72 LYS H H 1 7.154 0.01 . 1 . . . . . 72 LYS H . 28037 1 839 . 1 . 1 72 72 LYS HA H 1 4.211 0.01 . 1 . . . . . 72 LYS HA . 28037 1 840 . 1 . 1 72 72 LYS HB2 H 1 1.829 0.01 . . . . . . . 72 LYS HB2 . 28037 1 841 . 1 . 1 72 72 LYS HB3 H 1 1.829 0.01 . . . . . . . 72 LYS HB3 . 28037 1 842 . 1 . 1 72 72 LYS HG2 H 1 1.491 0.01 . . . . . . . 72 LYS HG2 . 28037 1 843 . 1 . 1 72 72 LYS HG3 H 1 1.491 0.01 . . . . . . . 72 LYS HG3 . 28037 1 844 . 1 . 1 72 72 LYS HE2 H 1 3.076 0.01 . . . . . . . 72 LYS HE2 . 28037 1 845 . 1 . 1 72 72 LYS HE3 H 1 3.076 0.01 . . . . . . . 72 LYS HE3 . 28037 1 846 . 1 . 1 72 72 LYS C C 13 175.539 0.15 . 1 . . . . . 72 LYS C . 28037 1 847 . 1 . 1 72 72 LYS CA C 13 54.526 0.1 . 1 . . . . . 72 LYS CA . 28037 1 848 . 1 . 1 72 72 LYS CB C 13 30.966 0.1 . 1 . . . . . 72 LYS CB . 28037 1 849 . 1 . 1 72 72 LYS CG C 13 25.012 0.1 . 1 . . . . . 72 LYS CG . 28037 1 850 . 1 . 1 72 72 LYS CE C 13 43.233 0.1 . 1 . . . . . 72 LYS CE . 28037 1 851 . 1 . 1 72 72 LYS N N 15 112.12 0.1 . 1 . . . . . 72 LYS N . 28037 1 852 . 1 . 1 73 73 LEU H H 1 8.155 0.01 . 1 . . . . . 73 LEU H . 28037 1 853 . 1 . 1 73 73 LEU HA H 1 4.833 0.01 . 1 . . . . . 73 LEU HA . 28037 1 854 . 1 . 1 73 73 LEU HB2 H 1 1.852 0.01 . . . . . . . 73 LEU HB2 . 28037 1 855 . 1 . 1 73 73 LEU HB3 H 1 1.268 0.01 . . . . . . . 73 LEU HB3 . 28037 1 856 . 1 . 1 73 73 LEU HG H 1 1.737 0.01 . 1 . . . . . 73 LEU HG . 28037 1 857 . 1 . 1 73 73 LEU HD11 H 1 0.537 0.01 . . . . . . . 73 LEU MD1 . 28037 1 858 . 1 . 1 73 73 LEU HD12 H 1 0.537 0.01 . . . . . . . 73 LEU MD1 . 28037 1 859 . 1 . 1 73 73 LEU HD13 H 1 0.537 0.01 . . . . . . . 73 LEU MD1 . 28037 1 860 . 1 . 1 73 73 LEU HD21 H 1 0.431 0.01 . . . . . . . 73 LEU MD2 . 28037 1 861 . 1 . 1 73 73 LEU HD22 H 1 0.431 0.01 . . . . . . . 73 LEU MD2 . 28037 1 862 . 1 . 1 73 73 LEU HD23 H 1 0.431 0.01 . . . . . . . 73 LEU MD2 . 28037 1 863 . 1 . 1 73 73 LEU C C 13 173.099 0.15 . 1 . . . . . 73 LEU C . 28037 1 864 . 1 . 1 73 73 LEU CA C 13 53.319 0.1 . 1 . . . . . 73 LEU CA . 28037 1 865 . 1 . 1 73 73 LEU CB C 13 42.575 0.1 . 1 . . . . . 73 LEU CB . 28037 1 866 . 1 . 1 73 73 LEU CG C 13 27.341 0.1 . 1 . . . . . 73 LEU CG . 28037 1 867 . 1 . 1 73 73 LEU CD1 C 13 25.278 0.1 . . . . . . . 73 LEU CD1 . 28037 1 868 . 1 . 1 73 73 LEU CD2 C 13 23.346 0.1 . . . . . . . 73 LEU CD2 . 28037 1 869 . 1 . 1 73 73 LEU N N 15 124.121 0.1 . 1 . . . . . 73 LEU N . 28037 1 870 . 1 . 1 74 74 SER H H 1 8.504 0.01 . 1 . . . . . 74 SER H . 28037 1 871 . 1 . 1 74 74 SER HA H 1 4.667 0.01 . 1 . . . . . 74 SER HA . 28037 1 872 . 1 . 1 74 74 SER HB2 H 1 3.561 0.01 . . . . . . . 74 SER HB2 . 28037 1 873 . 1 . 1 74 74 SER HB3 H 1 2.127 0.01 . . . . . . . 74 SER HB3 . 28037 1 874 . 1 . 1 74 74 SER C C 13 176.415 0.15 . 1 . . . . . 74 SER C . 28037 1 875 . 1 . 1 74 74 SER CA C 13 54.737 0.1 . 1 . . . . . 74 SER CA . 28037 1 876 . 1 . 1 74 74 SER CB C 13 65.662 0.1 . 1 . . . . . 74 SER CB . 28037 1 877 . 1 . 1 74 74 SER N N 15 109.152 0.1 . 1 . . . . . 74 SER N . 28037 1 878 . 1 . 1 75 75 VAL H H 1 7.322 0.01 . 1 . . . . . 75 VAL H . 28037 1 879 . 1 . 1 75 75 VAL HA H 1 3.031 0.01 . 1 . . . . . 75 VAL HA . 28037 1 880 . 1 . 1 75 75 VAL HB H 1 1.691 0.01 . 1 . . . . . 75 VAL HB . 28037 1 881 . 1 . 1 75 75 VAL HG11 H 1 0.832 0.01 . . . . . . . 75 VAL MG1 . 28037 1 882 . 1 . 1 75 75 VAL HG12 H 1 0.832 0.01 . . . . . . . 75 VAL MG1 . 28037 1 883 . 1 . 1 75 75 VAL HG13 H 1 0.832 0.01 . . . . . . . 75 VAL MG1 . 28037 1 884 . 1 . 1 75 75 VAL HG21 H 1 0.766 0.01 . . . . . . . 75 VAL MG2 . 28037 1 885 . 1 . 1 75 75 VAL HG22 H 1 0.766 0.01 . . . . . . . 75 VAL MG2 . 28037 1 886 . 1 . 1 75 75 VAL HG23 H 1 0.766 0.01 . . . . . . . 75 VAL MG2 . 28037 1 887 . 1 . 1 75 75 VAL C C 13 176.196 0.15 . 1 . . . . . 75 VAL C . 28037 1 888 . 1 . 1 75 75 VAL CA C 13 66.961 0.1 . 1 . . . . . 75 VAL CA . 28037 1 889 . 1 . 1 75 75 VAL CB C 13 31.695 0.1 . 1 . . . . . 75 VAL CB . 28037 1 890 . 1 . 1 75 75 VAL CG1 C 13 23.895 0.1 . . . . . . . 75 VAL CG1 . 28037 1 891 . 1 . 1 75 75 VAL CG2 C 13 21.399 0.1 . . . . . . . 75 VAL CG2 . 28037 1 892 . 1 . 1 75 75 VAL N N 15 118.974 0.1 . 1 . . . . . 75 VAL N . 28037 1 893 . 1 . 1 76 76 GLY H H 1 9.026 0.01 . 1 . . . . . 76 GLY H . 28037 1 894 . 1 . 1 76 76 GLY HA2 H 1 4.309 0.01 . . . . . . . 76 GLY HA2 . 28037 1 895 . 1 . 1 76 76 GLY HA3 H 1 3.706 0.01 . . . . . . . 76 GLY HA3 . 28037 1 896 . 1 . 1 76 76 GLY C C 13 173.731 0.15 . 1 . . . . . 76 GLY C . 28037 1 897 . 1 . 1 76 76 GLY CA C 13 44.29 0.1 . 1 . . . . . 76 GLY CA . 28037 1 898 . 1 . 1 76 76 GLY N N 15 117.172 0.1 . 1 . . . . . 76 GLY N . 28037 1 899 . 1 . 1 77 77 GLU H H 1 8.655 0.01 . 1 . . . . . 77 GLU H . 28037 1 900 . 1 . 1 77 77 GLU HA H 1 3.779 0.01 . 1 . . . . . 77 GLU HA . 28037 1 901 . 1 . 1 77 77 GLU HB2 H 1 2.076 0.01 . . . . . . . 77 GLU HB2 . 28037 1 902 . 1 . 1 77 77 GLU HB3 H 1 2.076 0.01 . . . . . . . 77 GLU HB3 . 28037 1 903 . 1 . 1 77 77 GLU HG2 H 1 1.989 0.01 . . . . . . . 77 GLU HG2 . 28037 1 904 . 1 . 1 77 77 GLU HG3 H 1 1.989 0.01 . . . . . . . 77 GLU HG3 . 28037 1 905 . 1 . 1 77 77 GLU C C 13 174.77 0.15 . 1 . . . . . 77 GLU C . 28037 1 906 . 1 . 1 77 77 GLU CA C 13 57.221 0.1 . 1 . . . . . 77 GLU CA . 28037 1 907 . 1 . 1 77 77 GLU CB C 13 31.622 0.1 . 1 . . . . . 77 GLU CB . 28037 1 908 . 1 . 1 77 77 GLU CG C 13 35.747 0.1 . 1 . . . . . 77 GLU CG . 28037 1 909 . 1 . 1 77 77 GLU N N 15 124.269 0.1 . 1 . . . . . 77 GLU N . 28037 1 910 . 1 . 1 78 78 LYS H H 1 8.003 0.01 . 1 . . . . . 78 LYS H . 28037 1 911 . 1 . 1 78 78 LYS HA H 1 5.51 0.01 . 1 . . . . . 78 LYS HA . 28037 1 912 . 1 . 1 78 78 LYS HB2 H 1 1.699 0.01 . . . . . . . 78 LYS HB2 . 28037 1 913 . 1 . 1 78 78 LYS HB3 H 1 1.585 0.01 . . . . . . . 78 LYS HB3 . 28037 1 914 . 1 . 1 78 78 LYS HG2 H 1 1.083 0.01 . . . . . . . 78 LYS HG2 . 28037 1 915 . 1 . 1 78 78 LYS HG3 H 1 1.083 0.01 . . . . . . . 78 LYS HG3 . 28037 1 916 . 1 . 1 78 78 LYS HD2 H 1 1.543 0.01 . . . . . . . 78 LYS HD2 . 28037 1 917 . 1 . 1 78 78 LYS HD3 H 1 1.543 0.01 . . . . . . . 78 LYS HD3 . 28037 1 918 . 1 . 1 78 78 LYS HE2 H 1 2.746 0.01 . . . . . . . 78 LYS HE2 . 28037 1 919 . 1 . 1 78 78 LYS HE3 H 1 2.746 0.01 . . . . . . . 78 LYS HE3 . 28037 1 920 . 1 . 1 78 78 LYS C C 13 175.45 0.15 . 1 . . . . . 78 LYS C . 28037 1 921 . 1 . 1 78 78 LYS CA C 13 54.333 0.1 . 1 . . . . . 78 LYS CA . 28037 1 922 . 1 . 1 78 78 LYS CB C 13 35.124 0.1 . 1 . . . . . 78 LYS CB . 28037 1 923 . 1 . 1 78 78 LYS CG C 13 25.625 0.1 . 1 . . . . . 78 LYS CG . 28037 1 924 . 1 . 1 78 78 LYS CD C 13 29.387 0.1 . 1 . . . . . 78 LYS CD . 28037 1 925 . 1 . 1 78 78 LYS CE C 13 41.983 0.1 . 1 . . . . . 78 LYS CE . 28037 1 926 . 1 . 1 78 78 LYS N N 15 120.868 0.1 . 1 . . . . . 78 LYS N . 28037 1 927 . 1 . 1 79 79 ALA H H 1 9.224 0.01 . 1 . . . . . 79 ALA H . 28037 1 928 . 1 . 1 79 79 ALA HA H 1 4.889 0.01 . 1 . . . . . 79 ALA HA . 28037 1 929 . 1 . 1 79 79 ALA HB1 H 1 1.192 0.01 . 1 . . . . . 79 ALA MB . 28037 1 930 . 1 . 1 79 79 ALA HB2 H 1 1.192 0.01 . 1 . . . . . 79 ALA MB . 28037 1 931 . 1 . 1 79 79 ALA HB3 H 1 1.192 0.01 . 1 . . . . . 79 ALA MB . 28037 1 932 . 1 . 1 79 79 ALA C C 13 173.156 0.15 . 1 . . . . . 79 ALA C . 28037 1 933 . 1 . 1 79 79 ALA CA C 13 50.776 0.1 . 1 . . . . . 79 ALA CA . 28037 1 934 . 1 . 1 79 79 ALA CB C 13 24.477 0.1 . 1 . . . . . 79 ALA CB . 28037 1 935 . 1 . 1 79 79 ALA N N 15 126.137 0.1 . 1 . . . . . 79 ALA N . 28037 1 936 . 1 . 1 80 80 ARG H H 1 9.154 0.01 . 1 . . . . . 80 ARG H . 28037 1 937 . 1 . 1 80 80 ARG HA H 1 5.598 0.01 . 1 . . . . . 80 ARG HA . 28037 1 938 . 1 . 1 80 80 ARG HB2 H 1 1.795 0.01 . . . . . . . 80 ARG HB2 . 28037 1 939 . 1 . 1 80 80 ARG HB3 H 1 1.795 0.01 . . . . . . . 80 ARG HB3 . 28037 1 940 . 1 . 1 80 80 ARG HG2 H 1 1.511 0.01 . . . . . . . 80 ARG HG2 . 28037 1 941 . 1 . 1 80 80 ARG HG3 H 1 1.511 0.01 . . . . . . . 80 ARG HG3 . 28037 1 942 . 1 . 1 80 80 ARG HD2 H 1 3.082 0.01 . . . . . . . 80 ARG HD2 . 28037 1 943 . 1 . 1 80 80 ARG HD3 H 1 3.082 0.01 . . . . . . . 80 ARG HD3 . 28037 1 944 . 1 . 1 80 80 ARG C C 13 175.791 0.15 . 1 . . . . . 80 ARG C . 28037 1 945 . 1 . 1 80 80 ARG CA C 13 54.279 0.1 . 1 . . . . . 80 ARG CA . 28037 1 946 . 1 . 1 80 80 ARG CB C 13 33.338 0.1 . 1 . . . . . 80 ARG CB . 28037 1 947 . 1 . 1 80 80 ARG CG C 13 27.055 0.1 . 1 . . . . . 80 ARG CG . 28037 1 948 . 1 . 1 80 80 ARG CD C 13 43.281 0.1 . 1 . . . . . 80 ARG CD . 28037 1 949 . 1 . 1 80 80 ARG N N 15 121.698 0.1 . 1 . . . . . 80 ARG N . 28037 1 950 . 1 . 1 81 81 LEU H H 1 10.019 0.01 . 1 . . . . . 81 LEU H . 28037 1 951 . 1 . 1 81 81 LEU HA H 1 5.491 0.01 . 1 . . . . . 81 LEU HA . 28037 1 952 . 1 . 1 81 81 LEU HB2 H 1 1.84 0.01 . . . . . . . 81 LEU HB2 . 28037 1 953 . 1 . 1 81 81 LEU HB3 H 1 1.322 0.01 . . . . . . . 81 LEU HB3 . 28037 1 954 . 1 . 1 81 81 LEU HG H 1 1.601 0.01 . 1 . . . . . 81 LEU HG . 28037 1 955 . 1 . 1 81 81 LEU HD11 H 1 0.633 0.01 . . . . . . . 81 LEU MD1 . 28037 1 956 . 1 . 1 81 81 LEU HD12 H 1 0.633 0.01 . . . . . . . 81 LEU MD1 . 28037 1 957 . 1 . 1 81 81 LEU HD13 H 1 0.633 0.01 . . . . . . . 81 LEU MD1 . 28037 1 958 . 1 . 1 81 81 LEU HD21 H 1 0.633 0.01 . . . . . . . 81 LEU MD2 . 28037 1 959 . 1 . 1 81 81 LEU HD22 H 1 0.633 0.01 . . . . . . . 81 LEU MD2 . 28037 1 960 . 1 . 1 81 81 LEU HD23 H 1 0.633 0.01 . . . . . . . 81 LEU MD2 . 28037 1 961 . 1 . 1 81 81 LEU C C 13 175.677 0.15 . 1 . . . . . 81 LEU C . 28037 1 962 . 1 . 1 81 81 LEU CA C 13 53.209 0.1 . 1 . . . . . 81 LEU CA . 28037 1 963 . 1 . 1 81 81 LEU CB C 13 44.754 0.1 . 1 . . . . . 81 LEU CB . 28037 1 964 . 1 . 1 81 81 LEU CG C 13 28.232 0.1 . 1 . . . . . 81 LEU CG . 28037 1 965 . 1 . 1 81 81 LEU CD1 C 13 25.195 0.1 . . . . . . . 81 LEU CD1 . 28037 1 966 . 1 . 1 81 81 LEU CD2 C 13 25.195 0.1 . . . . . . . 81 LEU CD2 . 28037 1 967 . 1 . 1 81 81 LEU N N 15 128.958 0.1 . 1 . . . . . 81 LEU N . 28037 1 968 . 1 . 1 82 82 THR H H 1 9.192 0.01 . 1 . . . . . 82 THR H . 28037 1 969 . 1 . 1 82 82 THR HA H 1 4.943 0.01 . 1 . . . . . 82 THR HA . 28037 1 970 . 1 . 1 82 82 THR HB H 1 4.017 0.01 . 1 . . . . . 82 THR HB . 28037 1 971 . 1 . 1 82 82 THR HG21 H 1 0.985 0.01 . 1 . . . . . 82 THR MG . 28037 1 972 . 1 . 1 82 82 THR HG22 H 1 0.985 0.01 . 1 . . . . . 82 THR MG . 28037 1 973 . 1 . 1 82 82 THR HG23 H 1 0.985 0.01 . 1 . . . . . 82 THR MG . 28037 1 974 . 1 . 1 82 82 THR C C 13 174.655 0.15 . 1 . . . . . 82 THR C . 28037 1 975 . 1 . 1 82 82 THR CA C 13 63.095 0.1 . 1 . . . . . 82 THR CA . 28037 1 976 . 1 . 1 82 82 THR CB C 13 68.875 0.1 . 1 . . . . . 82 THR CB . 28037 1 977 . 1 . 1 82 82 THR CG2 C 13 20.649 0.1 . 1 . . . . . 82 THR CG2 . 28037 1 978 . 1 . 1 82 82 THR N N 15 122.024 0.1 . 1 . . . . . 82 THR N . 28037 1 979 . 1 . 1 83 83 ILE H H 1 9.907 0.01 . 1 . . . . . 83 ILE H . 28037 1 980 . 1 . 1 83 83 ILE HA H 1 4.589 0.01 . 1 . . . . . 83 ILE HA . 28037 1 981 . 1 . 1 83 83 ILE HB H 1 2.044 0.01 . 1 . . . . . 83 ILE HB . 28037 1 982 . 1 . 1 83 83 ILE HG12 H 1 1.838 0.01 . . . . . . . 83 ILE HG12 . 28037 1 983 . 1 . 1 83 83 ILE HG13 H 1 1.082 0.01 . . . . . . . 83 ILE HG13 . 28037 1 984 . 1 . 1 83 83 ILE HG21 H 1 0.997 0.01 . 1 . . . . . 83 ILE MG . 28037 1 985 . 1 . 1 83 83 ILE HG22 H 1 0.997 0.01 . 1 . . . . . 83 ILE MG . 28037 1 986 . 1 . 1 83 83 ILE HG23 H 1 0.997 0.01 . 1 . . . . . 83 ILE MG . 28037 1 987 . 1 . 1 83 83 ILE HD11 H 1 0.993 0.01 . 1 . . . . . 83 ILE MD . 28037 1 988 . 1 . 1 83 83 ILE HD12 H 1 0.993 0.01 . 1 . . . . . 83 ILE MD . 28037 1 989 . 1 . 1 83 83 ILE HD13 H 1 0.993 0.01 . 1 . . . . . 83 ILE MD . 28037 1 990 . 1 . 1 83 83 ILE C C 13 171.725 0.15 . 1 . . . . . 83 ILE C . 28037 1 991 . 1 . 1 83 83 ILE CA C 13 58.565 0.1 . 1 . . . . . 83 ILE CA . 28037 1 992 . 1 . 1 83 83 ILE CB C 13 40.954 0.1 . 1 . . . . . 83 ILE CB . 28037 1 993 . 1 . 1 83 83 ILE CG1 C 13 27.317 0.1 . 1 . . . . . 83 ILE CG1 . 28037 1 994 . 1 . 1 83 83 ILE CG2 C 13 19.994 0.1 . 1 . . . . . 83 ILE CG2 . 28037 1 995 . 1 . 1 83 83 ILE CD1 C 13 15.337 0.1 . 1 . . . . . 83 ILE CD1 . 28037 1 996 . 1 . 1 83 83 ILE N N 15 127.917 0.1 . 1 . . . . . 83 ILE N . 28037 1 997 . 1 . 1 84 84 PRO HA H 1 4.636 0.01 . 1 . . . . . 84 PRO HA . 28037 1 998 . 1 . 1 84 84 PRO HB2 H 1 2.365 0.01 . . . . . . . 84 PRO HB2 . 28037 1 999 . 1 . 1 84 84 PRO HB3 H 1 2.365 0.01 . . . . . . . 84 PRO HB3 . 28037 1 1000 . 1 . 1 84 84 PRO HG2 H 1 2.078 0.01 . . . . . . . 84 PRO HG2 . 28037 1 1001 . 1 . 1 84 84 PRO HG3 H 1 1.849 0.01 . . . . . . . 84 PRO HG3 . 28037 1 1002 . 1 . 1 84 84 PRO HD2 H 1 3.897 0.01 . . . . . . . 84 PRO HD2 . 28037 1 1003 . 1 . 1 84 84 PRO HD3 H 1 3.281 0.01 . . . . . . . 84 PRO HD3 . 28037 1 1004 . 1 . 1 84 84 PRO C C 13 175.867 0.15 . 1 . . . . . 84 PRO C . 28037 1 1005 . 1 . 1 84 84 PRO CA C 13 62.663 0.1 . 1 . . . . . 84 PRO CA . 28037 1 1006 . 1 . 1 84 84 PRO CB C 13 33.753 0.1 . 1 . . . . . 84 PRO CB . 28037 1 1007 . 1 . 1 84 84 PRO CG C 13 27.834 0.1 . 1 . . . . . 84 PRO CG . 28037 1 1008 . 1 . 1 84 84 PRO CD C 13 51.925 0.1 . 1 . . . . . 84 PRO CD . 28037 1 1009 . 1 . 1 85 85 GLY H H 1 8.484 0.01 . 1 . . . . . 85 GLY H . 28037 1 1010 . 1 . 1 85 85 GLY HA2 H 1 3.933 0.01 . . . . . . . 85 GLY HA2 . 28037 1 1011 . 1 . 1 85 85 GLY HA3 H 1 3.542 0.01 . . . . . . . 85 GLY HA3 . 28037 1 1012 . 1 . 1 85 85 GLY C C 13 174.66 0.01 . 1 . . . . . 85 GLY C . 28037 1 1013 . 1 . 1 85 85 GLY CA C 13 48.569 0.01 . 1 . . . . . 85 GLY CA . 28037 1 1014 . 1 . 1 85 85 GLY N N 15 107.36 0.1 . 1 . . . . . 85 GLY N . 28037 1 1015 . 1 . 1 86 86 PRO HA H 1 4.315 0.01 . 1 . . . . . 86 PRO HA . 28037 1 1016 . 1 . 1 86 86 PRO HB2 H 1 2.461 0.01 . . . . . . . 86 PRO HB2 . 28037 1 1017 . 1 . 1 86 86 PRO HB3 H 1 2.461 0.01 . . . . . . . 86 PRO HB3 . 28037 1 1018 . 1 . 1 86 86 PRO HG2 H 1 2.174 0.01 . . . . . . . 86 PRO HG2 . 28037 1 1019 . 1 . 1 86 86 PRO HG3 H 1 2.174 0.01 . . . . . . . 86 PRO HG3 . 28037 1 1020 . 1 . 1 86 86 PRO HD2 H 1 3.025 0.01 . . . . . . . 86 PRO HD2 . 28037 1 1021 . 1 . 1 86 86 PRO HD3 H 1 3.00 0.01 . . . . . . . 86 PRO HD3 . 28037 1 1022 . 1 . 1 86 86 PRO C C 13 176.964 0.15 . 1 . . . . . 86 PRO C . 28037 1 1023 . 1 . 1 86 86 PRO CA C 13 65.226 0.1 . 1 . . . . . 86 PRO CA . 28037 1 1024 . 1 . 1 86 86 PRO CB C 13 31.213 0.1 . 1 . . . . . 86 PRO CB . 28037 1 1025 . 1 . 1 86 86 PRO CG C 13 29.037 0.1 . 1 . . . . . 86 PRO CG . 28037 1 1026 . 1 . 1 86 86 PRO CD C 13 51.537 0.1 . 1 . . . . . 86 PRO CD . 28037 1 1027 . 1 . 1 87 87 TYR H H 1 8.168 0.01 . 1 . . . . . 87 TYR H . 28037 1 1028 . 1 . 1 87 87 TYR HA H 1 4.451 0.01 . 1 . . . . . 87 TYR HA . 28037 1 1029 . 1 . 1 87 87 TYR HB2 H 1 2.749 0.01 . . . . . . . 87 TYR HB2 . 28037 1 1030 . 1 . 1 87 87 TYR HB3 H 1 2.749 0.01 . . . . . . . 87 TYR HB3 . 28037 1 1031 . 1 . 1 87 87 TYR HD1 H 1 6.645 0.01 . . . . . . . 87 TYR HD1 . 28037 1 1032 . 1 . 1 87 87 TYR HD2 H 1 6.645 0.01 . . . . . . . 87 TYR HD2 . 28037 1 1033 . 1 . 1 87 87 TYR HE1 H 1 6.594 0.01 . . . . . . . 87 TYR HE1 . 28037 1 1034 . 1 . 1 87 87 TYR HE2 H 1 6.594 0.01 . . . . . . . 87 TYR HE2 . 28037 1 1035 . 1 . 1 87 87 TYR C C 13 172.866 0.15 . 1 . . . . . 87 TYR C . 28037 1 1036 . 1 . 1 87 87 TYR CA C 13 57.681 0.1 . 1 . . . . . 87 TYR CA . 28037 1 1037 . 1 . 1 87 87 TYR CB C 13 38.988 0.1 . 1 . . . . . 87 TYR CB . 28037 1 1038 . 1 . 1 87 87 TYR CD1 C 13 131.325 0.1 . . . . . . . 87 TYR CD1 . 28037 1 1039 . 1 . 1 87 87 TYR CD2 C 13 131.325 0.1 . . . . . . . 87 TYR CD2 . 28037 1 1040 . 1 . 1 87 87 TYR CE1 C 13 118.371 0.1 . . . . . . . 87 TYR CE1 . 28037 1 1041 . 1 . 1 87 87 TYR CE2 C 13 118.371 0.1 . . . . . . . 87 TYR CE2 . 28037 1 1042 . 1 . 1 87 87 TYR N N 15 118.04 0.1 . 1 . . . . . 87 TYR N . 28037 1 1043 . 1 . 1 88 88 ALA H H 1 8.096 0.01 . 1 . . . . . 88 ALA H . 28037 1 1044 . 1 . 1 88 88 ALA HA H 1 4.323 0.01 . 1 . . . . . 88 ALA HA . 28037 1 1045 . 1 . 1 88 88 ALA HB1 H 1 1.371 0.01 . 1 . . . . . 88 ALA MB . 28037 1 1046 . 1 . 1 88 88 ALA HB2 H 1 1.371 0.01 . 1 . . . . . 88 ALA MB . 28037 1 1047 . 1 . 1 88 88 ALA HB3 H 1 1.371 0.01 . 1 . . . . . 88 ALA MB . 28037 1 1048 . 1 . 1 88 88 ALA C C 13 175.979 0.15 . 1 . . . . . 88 ALA C . 28037 1 1049 . 1 . 1 88 88 ALA CA C 13 51.319 0.1 . 1 . . . . . 88 ALA CA . 28037 1 1050 . 1 . 1 88 88 ALA CB C 13 18.433 0.1 . 1 . . . . . 88 ALA CB . 28037 1 1051 . 1 . 1 88 88 ALA N N 15 126.667 0.1 . 1 . . . . . 88 ALA N . 28037 1 1052 . 1 . 1 89 89 TYR H H 1 9.583 0.01 . 1 . . . . . 89 TYR H . 28037 1 1053 . 1 . 1 89 89 TYR HA H 1 4.434 0.01 . 1 . . . . . 89 TYR HA . 28037 1 1054 . 1 . 1 89 89 TYR HB2 H 1 3.238 0.01 . . . . . . . 89 TYR HB2 . 28037 1 1055 . 1 . 1 89 89 TYR HB3 H 1 2.704 0.01 . . . . . . . 89 TYR HB3 . 28037 1 1056 . 1 . 1 89 89 TYR HD1 H 1 7.08 0.01 . . . . . . . 89 TYR HD1 . 28037 1 1057 . 1 . 1 89 89 TYR HD2 H 1 7.08 0.01 . . . . . . . 89 TYR HD2 . 28037 1 1058 . 1 . 1 89 89 TYR HE1 H 1 6.495 0.01 . . . . . . . 89 TYR HE1 . 28037 1 1059 . 1 . 1 89 89 TYR HE2 H 1 6.495 0.01 . . . . . . . 89 TYR HE2 . 28037 1 1060 . 1 . 1 89 89 TYR C C 13 176.695 0.15 . 1 . . . . . 89 TYR C . 28037 1 1061 . 1 . 1 89 89 TYR CA C 13 59.656 0.1 . 1 . . . . . 89 TYR CA . 28037 1 1062 . 1 . 1 89 89 TYR CB C 13 37.716 0.1 . 1 . . . . . 89 TYR CB . 28037 1 1063 . 1 . 1 89 89 TYR CD1 C 13 132.673 0.1 . . . . . . . 89 TYR CD1 . 28037 1 1064 . 1 . 1 89 89 TYR CD2 C 13 132.673 0.1 . . . . . . . 89 TYR CD2 . 28037 1 1065 . 1 . 1 89 89 TYR CE1 C 13 117.609 0.1 . . . . . . . 89 TYR CE1 . 28037 1 1066 . 1 . 1 89 89 TYR CE2 C 13 117.609 0.1 . . . . . . . 89 TYR CE2 . 28037 1 1067 . 1 . 1 89 89 TYR N N 15 121.776 0.1 . 1 . . . . . 89 TYR N . 28037 1 1068 . 1 . 1 90 90 GLY H H 1 8.259 0.01 . 1 . . . . . 90 GLY H . 28037 1 1069 . 1 . 1 90 90 GLY HA2 H 1 4.059 0.01 . . . . . . . 90 GLY HA2 . 28037 1 1070 . 1 . 1 90 90 GLY HA3 H 1 3.377 0.01 . . . . . . . 90 GLY HA3 . 28037 1 1071 . 1 . 1 90 90 GLY C C 13 173.453 0.15 . 1 . . . . . 90 GLY C . 28037 1 1072 . 1 . 1 90 90 GLY CA C 13 45.947 0.1 . 1 . . . . . 90 GLY CA . 28037 1 1073 . 1 . 1 90 90 GLY N N 15 108.719 0.1 . 1 . . . . . 90 GLY N . 28037 1 1074 . 1 . 1 91 91 PRO HA H 1 4.174 0.01 . 1 . . . . . 91 PRO HA . 28037 1 1075 . 1 . 1 91 91 PRO HB2 H 1 2.348 0.01 . . . . . . . 91 PRO HB2 . 28037 1 1076 . 1 . 1 91 91 PRO HB3 H 1 1.915 0.01 . . . . . . . 91 PRO HB3 . 28037 1 1077 . 1 . 1 91 91 PRO HG2 H 1 2.015 0.01 . . . . . . . 91 PRO HG2 . 28037 1 1078 . 1 . 1 91 91 PRO HG3 H 1 2.015 0.01 . . . . . . . 91 PRO HG3 . 28037 1 1079 . 1 . 1 91 91 PRO HD2 H 1 3.917 0.01 . . . . . . . 91 PRO HD2 . 28037 1 1080 . 1 . 1 91 91 PRO HD3 H 1 3.537 0.01 . . . . . . . 91 PRO HD3 . 28037 1 1081 . 1 . 1 91 91 PRO C C 13 176.097 0.15 . 1 . . . . . 91 PRO C . 28037 1 1082 . 1 . 1 91 91 PRO CA C 13 64.404 0.1 . 1 . . . . . 91 PRO CA . 28037 1 1083 . 1 . 1 91 91 PRO CB C 13 32.378 0.1 . 1 . . . . . 91 PRO CB . 28037 1 1084 . 1 . 1 91 91 PRO CG C 13 26.977 0.1 . 1 . . . . . 91 PRO CG . 28037 1 1085 . 1 . 1 91 91 PRO CD C 13 50.801 0.1 . 1 . . . . . 91 PRO CD . 28037 1 1086 . 1 . 1 92 92 ARG H H 1 7.7 0.01 . 1 . . . . . 92 ARG H . 28037 1 1087 . 1 . 1 92 92 ARG HA H 1 4.115 0.01 . 1 . . . . . 92 ARG HA . 28037 1 1088 . 1 . 1 92 92 ARG HB2 H 1 1.824 0.01 . . . . . . . 92 ARG HB2 . 28037 1 1089 . 1 . 1 92 92 ARG HB3 H 1 1.621 0.01 . . . . . . . 92 ARG HB3 . 28037 1 1090 . 1 . 1 92 92 ARG C C 13 178.244 0.15 . 1 . . . . . 92 ARG C . 28037 1 1091 . 1 . 1 92 92 ARG CA C 13 57.396 0.1 . 1 . . . . . 92 ARG CA . 28037 1 1092 . 1 . 1 92 92 ARG CB C 13 30.956 0.1 . 1 . . . . . 92 ARG CB . 28037 1 1093 . 1 . 1 92 92 ARG N N 15 113.96 0.1 . 1 . . . . . 92 ARG N . 28037 1 1094 . 1 . 1 93 93 GLY H H 1 7.000 0.01 . 1 . . . . . 93 GLY H . 28037 1 1095 . 1 . 1 93 93 GLY HA2 H 1 3.649 0.01 . . . . . . . 93 GLY HA2 . 28037 1 1096 . 1 . 1 93 93 GLY HA3 H 1 3.57 0.01 . . . . . . . 93 GLY HA3 . 28037 1 1097 . 1 . 1 93 93 GLY C C 13 171.767 0.15 . 1 . . . . . 93 GLY C . 28037 1 1098 . 1 . 1 93 93 GLY CA C 13 45.861 0.1 . 1 . . . . . 93 GLY CA . 28037 1 1099 . 1 . 1 93 93 GLY N N 15 103.674 0.1 . 1 . . . . . 93 GLY N . 28037 1 1100 . 1 . 1 94 94 PHE H H 1 8.845 0.01 . 1 . . . . . 94 PHE H . 28037 1 1101 . 1 . 1 94 94 PHE HA H 1 4.64 0.01 . 1 . . . . . 94 PHE HA . 28037 1 1102 . 1 . 1 94 94 PHE HB2 H 1 2.518 0.01 . . . . . . . 94 PHE HB2 . 28037 1 1103 . 1 . 1 94 94 PHE HB3 H 1 2.518 0.01 . . . . . . . 94 PHE HB3 . 28037 1 1104 . 1 . 1 94 94 PHE HD1 H 1 6.541 0.01 . . . . . . . 94 PHE HD . 28037 1 1105 . 1 . 1 94 94 PHE HD2 H 1 6.541 0.01 . . . . . . . 94 PHE HD . 28037 1 1106 . 1 . 1 94 94 PHE HE1 H 1 6.616 0.01 . . . . . . . 94 PHE HE . 28037 1 1107 . 1 . 1 94 94 PHE HE2 H 1 6.616 0.01 . . . . . . . 94 PHE HE . 28037 1 1108 . 1 . 1 94 94 PHE HZ H 1 6.725 0.01 . . . . . . . 94 PHE HZ . 28037 1 1109 . 1 . 1 94 94 PHE C C 13 174.518 0.15 . 1 . . . . . 94 PHE C . 28037 1 1110 . 1 . 1 94 94 PHE CB C 13 40.079 0.1 . 1 . . . . . 94 PHE CB . 28037 1 1111 . 1 . 1 94 94 PHE CD1 C 13 131.501 0.1 . 1 . . . . . 94 PHE CD . 28037 1 1112 . 1 . 1 94 94 PHE CD2 C 13 131.501 0.1 . 1 . . . . . 94 PHE CD . 28037 1 1113 . 1 . 1 94 94 PHE N N 15 123.47 0.1 . 1 . . . . . 94 PHE N . 28037 1 1114 . 1 . 1 96 96 GLY H H 1 8.451 0.01 . 1 . . . . . 96 GLY H . 28037 1 1115 . 1 . 1 96 96 GLY HA2 H 1 4.185 0.01 . . . . . . . 96 GLY HA2 . 28037 1 1116 . 1 . 1 96 96 GLY HA3 H 1 3.568 0.01 . . . . . . . 96 GLY HA3 . 28037 1 1117 . 1 . 1 96 96 GLY C C 13 173.601 0.15 . 1 . . . . . 96 GLY C . 28037 1 1118 . 1 . 1 96 96 GLY CA C 13 45.486 0.1 . 1 . . . . . 96 GLY CA . 28037 1 1119 . 1 . 1 96 96 GLY N N 15 110.752 0.1 . 1 . . . . . 96 GLY N . 28037 1 1120 . 1 . 1 97 97 LEU H H 1 8.072 0.01 . 1 . . . . . 97 LEU H . 28037 1 1121 . 1 . 1 97 97 LEU HA H 1 4.658 0.01 . 1 . . . . . 97 LEU HA . 28037 1 1122 . 1 . 1 97 97 LEU HB2 H 1 1.426 0.01 . . . . . . . 97 LEU HB2 . 28037 1 1123 . 1 . 1 97 97 LEU HB3 H 1 1.426 0.01 . . . . . . . 97 LEU HB3 . 28037 1 1124 . 1 . 1 97 97 LEU HG H 1 1.469 0.01 . 1 . . . . . 97 LEU HG . 28037 1 1125 . 1 . 1 97 97 LEU HD11 H 1 0.855 0.01 . . . . . . . 97 LEU MD1 . 28037 1 1126 . 1 . 1 97 97 LEU HD12 H 1 0.855 0.01 . . . . . . . 97 LEU MD1 . 28037 1 1127 . 1 . 1 97 97 LEU HD13 H 1 0.855 0.01 . . . . . . . 97 LEU MD1 . 28037 1 1128 . 1 . 1 97 97 LEU HD21 H 1 0.791 0.01 . . . . . . . 97 LEU MD2 . 28037 1 1129 . 1 . 1 97 97 LEU HD22 H 1 0.791 0.01 . . . . . . . 97 LEU MD2 . 28037 1 1130 . 1 . 1 97 97 LEU HD23 H 1 0.791 0.01 . . . . . . . 97 LEU MD2 . 28037 1 1131 . 1 . 1 97 97 LEU C C 13 175.166 0.15 . 1 . . . . . 97 LEU C . 28037 1 1132 . 1 . 1 97 97 LEU CA C 13 56.379 0.1 . 1 . . . . . 97 LEU CA . 28037 1 1133 . 1 . 1 97 97 LEU CB C 13 47.727 0.1 . 1 . . . . . 97 LEU CB . 28037 1 1134 . 1 . 1 97 97 LEU CG C 13 27.005 0.1 . 1 . . . . . 97 LEU CG . 28037 1 1135 . 1 . 1 97 97 LEU CD1 C 13 24.314 0.1 . . . . . . . 97 LEU CD1 . 28037 1 1136 . 1 . 1 97 97 LEU CD2 C 13 24.189 0.1 . . . . . . . 97 LEU CD2 . 28037 1 1137 . 1 . 1 97 97 LEU N N 15 119.927 0.1 . 1 . . . . . 97 LEU N . 28037 1 1138 . 1 . 1 98 98 ILE H H 1 8.531 0.01 . 1 . . . . . 98 ILE H . 28037 1 1139 . 1 . 1 98 98 ILE HA H 1 4.521 0.01 . 1 . . . . . 98 ILE HA . 28037 1 1140 . 1 . 1 98 98 ILE HB H 1 1.365 0.01 . 1 . . . . . 98 ILE HB . 28037 1 1141 . 1 . 1 98 98 ILE HG12 H 1 0.919 0.01 . . . . . . . 98 ILE HG12 . 28037 1 1142 . 1 . 1 98 98 ILE HG13 H 1 0.195 0.01 . . . . . . . 98 ILE HG13 . 28037 1 1143 . 1 . 1 98 98 ILE HG21 H 1 0.853 0.01 . 1 . . . . . 98 ILE MG . 28037 1 1144 . 1 . 1 98 98 ILE HG22 H 1 0.853 0.01 . 1 . . . . . 98 ILE MG . 28037 1 1145 . 1 . 1 98 98 ILE HG23 H 1 0.853 0.01 . 1 . . . . . 98 ILE MG . 28037 1 1146 . 1 . 1 98 98 ILE HD11 H 1 -0.05 0.01 . 1 . . . . . 98 ILE MD . 28037 1 1147 . 1 . 1 98 98 ILE HD12 H 1 -0.05 0.01 . 1 . . . . . 98 ILE MD . 28037 1 1148 . 1 . 1 98 98 ILE HD13 H 1 -0.05 0.01 . 1 . . . . . 98 ILE MD . 28037 1 1149 . 1 . 1 98 98 ILE C C 13 174.07 0.15 . 1 . . . . . 98 ILE C . 28037 1 1150 . 1 . 1 98 98 ILE CA C 13 57.282 0.1 . 1 . . . . . 98 ILE CA . 28037 1 1151 . 1 . 1 98 98 ILE CB C 13 41.763 0.1 . 1 . . . . . 98 ILE CB . 28037 1 1152 . 1 . 1 98 98 ILE CG1 C 13 26.524 0.1 . 1 . . . . . 98 ILE CG1 . 28037 1 1153 . 1 . 1 98 98 ILE CG2 C 13 18.062 0.1 . 1 . . . . . 98 ILE CG2 . 28037 1 1154 . 1 . 1 98 98 ILE CD1 C 13 13.223 0.1 . 1 . . . . . 98 ILE CD1 . 28037 1 1155 . 1 . 1 98 98 ILE N N 15 116.993 0.1 . 1 . . . . . 98 ILE N . 28037 1 1156 . 1 . 1 99 99 PRO HA H 1 4.748 0.01 . 1 . . . . . 99 PRO HA . 28037 1 1157 . 1 . 1 99 99 PRO HB2 H 1 2.395 0.01 . . . . . . . 99 PRO HB2 . 28037 1 1158 . 1 . 1 99 99 PRO HB3 H 1 1.824 0.01 . . . . . . . 99 PRO HB3 . 28037 1 1159 . 1 . 1 99 99 PRO HG2 H 1 1.944 0.01 . . . . . . . 99 PRO HG2 . 28037 1 1160 . 1 . 1 99 99 PRO HG3 H 1 1.944 0.01 . . . . . . . 99 PRO HG3 . 28037 1 1161 . 1 . 1 99 99 PRO HD2 H 1 3.773 0.01 . . . . . . . 99 PRO HD2 . 28037 1 1162 . 1 . 1 99 99 PRO HD3 H 1 3.352 0.01 . . . . . . . 99 PRO HD3 . 28037 1 1163 . 1 . 1 99 99 PRO CA C 13 61.774 0.15 . 1 . . . . . 99 PRO CA . 28037 1 1164 . 1 . 1 99 99 PRO CB C 13 30.987 0.1 . 1 . . . . . 99 PRO CB . 28037 1 1165 . 1 . 1 99 99 PRO CG C 13 26.617 0.1 . 1 . . . . . 99 PRO CG . 28037 1 1166 . 1 . 1 99 99 PRO CD C 13 51.897 0.1 . 1 . . . . . 99 PRO CD . 28037 1 1167 . 1 . 1 100 100 PRO HA H 1 3.701 0.01 . 1 . . . . . 100 PRO HA . 28037 1 1168 . 1 . 1 100 100 PRO HB2 H 1 1.653 0.01 . . . . . . . 100 PRO HB2 . 28037 1 1169 . 1 . 1 100 100 PRO HB3 H 1 1.653 0.01 . . . . . . . 100 PRO HB3 . 28037 1 1170 . 1 . 1 100 100 PRO HG2 H 1 1.971 0.01 . . . . . . . 100 PRO HG2 . 28037 1 1171 . 1 . 1 100 100 PRO HG3 H 1 1.971 0.01 . . . . . . . 100 PRO HG3 . 28037 1 1172 . 1 . 1 100 100 PRO HD2 H 1 3.463 0.01 . . . . . . . 100 PRO HD2 . 28037 1 1173 . 1 . 1 100 100 PRO HD3 H 1 3.463 0.01 . . . . . . . 100 PRO HD3 . 28037 1 1174 . 1 . 1 100 100 PRO C C 13 175.955 0.15 . 1 . . . . . 100 PRO C . 28037 1 1175 . 1 . 1 100 100 PRO CA C 13 64.076 0.1 . 1 . . . . . 100 PRO CA . 28037 1 1176 . 1 . 1 100 100 PRO CB C 13 33.188 0.1 . 1 . . . . . 100 PRO CB . 28037 1 1177 . 1 . 1 100 100 PRO CG C 13 28.408 0.1 . 1 . . . . . 100 PRO CG . 28037 1 1178 . 1 . 1 100 100 PRO CD C 13 50.836 0.1 . 1 . . . . . 100 PRO CD . 28037 1 1179 . 1 . 1 101 101 ASN H H 1 8.365 0.01 . 1 . . . . . 101 ASN H . 28037 1 1180 . 1 . 1 101 101 ASN HA H 1 3.815 0.01 . 1 . . . . . 101 ASN HA . 28037 1 1181 . 1 . 1 101 101 ASN HB2 H 1 2.883 0.01 . . . . . . . 101 ASN HB2 . 28037 1 1182 . 1 . 1 101 101 ASN HB3 H 1 2.733 0.01 . . . . . . . 101 ASN HB3 . 28037 1 1183 . 1 . 1 101 101 ASN HD21 H 1 6.989 0.01 . . . . . . . 101 ASN HD21 . 28037 1 1184 . 1 . 1 101 101 ASN HD22 H 1 7.633 0.01 . . . . . . . 101 ASN HD22 . 28037 1 1185 . 1 . 1 101 101 ASN C C 13 173.471 0.15 . 1 . . . . . 101 ASN C . 28037 1 1186 . 1 . 1 101 101 ASN CA C 13 54.142 0.1 . 1 . . . . . 101 ASN CA . 28037 1 1187 . 1 . 1 101 101 ASN CB C 13 37.296 0.1 . 1 . . . . . 101 ASN CB . 28037 1 1188 . 1 . 1 101 101 ASN CG C 13 179.781 0.1 . 1 . . . . . 101 ASN CG . 28037 1 1189 . 1 . 1 101 101 ASN N N 15 117.312 0.1 . 1 . . . . . 101 ASN N . 28037 1 1190 . 1 . 1 101 101 ASN ND2 N 15 115.562 0.1 . 1 . . . . . 101 ASN ND2 . 28037 1 1191 . 1 . 1 102 102 ALA H H 1 7.37 0.01 . 1 . . . . . 102 ALA H . 28037 1 1192 . 1 . 1 102 102 ALA HA H 1 4.182 0.01 . 1 . . . . . 102 ALA HA . 28037 1 1193 . 1 . 1 102 102 ALA HB1 H 1 1.201 0.01 . 1 . . . . . 102 ALA MB . 28037 1 1194 . 1 . 1 102 102 ALA HB2 H 1 1.201 0.01 . 1 . . . . . 102 ALA MB . 28037 1 1195 . 1 . 1 102 102 ALA HB3 H 1 1.201 0.01 . 1 . . . . . 102 ALA MB . 28037 1 1196 . 1 . 1 102 102 ALA C C 13 176.792 0.15 . 1 . . . . . 102 ALA C . 28037 1 1197 . 1 . 1 102 102 ALA CA C 13 52.991 0.1 . 1 . . . . . 102 ALA CA . 28037 1 1198 . 1 . 1 102 102 ALA CB C 13 20.434 0.1 . 1 . . . . . 102 ALA CB . 28037 1 1199 . 1 . 1 102 102 ALA N N 15 122.296 0.1 . 1 . . . . . 102 ALA N . 28037 1 1200 . 1 . 1 103 103 THR H H 1 8.41 0.01 . 1 . . . . . 103 THR H . 28037 1 1201 . 1 . 1 103 103 THR HA H 1 4.759 0.01 . 1 . . . . . 103 THR HA . 28037 1 1202 . 1 . 1 103 103 THR HB H 1 3.856 0.01 . 1 . . . . . 103 THR HB . 28037 1 1203 . 1 . 1 103 103 THR HG21 H 1 0.879 0.01 . 1 . . . . . 103 THR MG . 28037 1 1204 . 1 . 1 103 103 THR HG22 H 1 0.879 0.01 . 1 . . . . . 103 THR MG . 28037 1 1205 . 1 . 1 103 103 THR HG23 H 1 0.879 0.01 . 1 . . . . . 103 THR MG . 28037 1 1206 . 1 . 1 103 103 THR C C 13 173.402 0.15 . 1 . . . . . 103 THR C . 28037 1 1207 . 1 . 1 103 103 THR CA C 13 62.394 0.1 . 1 . . . . . 103 THR CA . 28037 1 1208 . 1 . 1 103 103 THR CB C 13 69.409 0.1 . 1 . . . . . 103 THR CB . 28037 1 1209 . 1 . 1 103 103 THR CG2 C 13 21.939 0.1 . 1 . . . . . 103 THR CG2 . 28037 1 1210 . 1 . 1 103 103 THR N N 15 120.444 0.1 . 1 . . . . . 103 THR N . 28037 1 1211 . 1 . 1 104 104 LEU H H 1 8.763 0.01 . 1 . . . . . 104 LEU H . 28037 1 1212 . 1 . 1 104 104 LEU HA H 1 4.941 0.01 . 1 . . . . . 104 LEU HA . 28037 1 1213 . 1 . 1 104 104 LEU HB2 H 1 1.709 0.01 . . . . . . . 104 LEU HB2 . 28037 1 1214 . 1 . 1 104 104 LEU HB3 H 1 1.709 0.01 . . . . . . . 104 LEU HB3 . 28037 1 1215 . 1 . 1 104 104 LEU HG H 1 1.082 0.01 . 1 . . . . . 104 LEU HG . 28037 1 1216 . 1 . 1 104 104 LEU HD11 H 1 0.569 0.01 . . . . . . . 104 LEU MD1 . 28037 1 1217 . 1 . 1 104 104 LEU HD12 H 1 0.569 0.01 . . . . . . . 104 LEU MD1 . 28037 1 1218 . 1 . 1 104 104 LEU HD13 H 1 0.569 0.01 . . . . . . . 104 LEU MD1 . 28037 1 1219 . 1 . 1 104 104 LEU HD21 H 1 0.569 0.01 . . . . . . . 104 LEU MD2 . 28037 1 1220 . 1 . 1 104 104 LEU HD22 H 1 0.569 0.01 . . . . . . . 104 LEU MD2 . 28037 1 1221 . 1 . 1 104 104 LEU HD23 H 1 0.569 0.01 . . . . . . . 104 LEU MD2 . 28037 1 1222 . 1 . 1 104 104 LEU C C 13 174.685 0.15 . 1 . . . . . 104 LEU C . 28037 1 1223 . 1 . 1 104 104 LEU CA C 13 52.793 0.1 . 1 . . . . . 104 LEU CA . 28037 1 1224 . 1 . 1 104 104 LEU CB C 13 45.744 0.1 . 1 . . . . . 104 LEU CB . 28037 1 1225 . 1 . 1 104 104 LEU CG C 13 27.258 0.1 . 1 . . . . . 104 LEU CG . 28037 1 1226 . 1 . 1 104 104 LEU CD1 C 13 22.76 0.1 . . . . . . . 104 LEU CD1 . 28037 1 1227 . 1 . 1 104 104 LEU CD2 C 13 22.76 0.1 . . . . . . . 104 LEU CD2 . 28037 1 1228 . 1 . 1 104 104 LEU N N 15 125.306 0.1 . 1 . . . . . 104 LEU N . 28037 1 1229 . 1 . 1 105 105 ILE H H 1 8.814 0.01 . 1 . . . . . 105 ILE H . 28037 1 1230 . 1 . 1 105 105 ILE HA H 1 4.991 0.01 . 1 . . . . . 105 ILE HA . 28037 1 1231 . 1 . 1 105 105 ILE HB H 1 1.813 0.01 . 1 . . . . . 105 ILE HB . 28037 1 1232 . 1 . 1 105 105 ILE HG12 H 1 1.255 0.01 . . . . . . . 105 ILE HG12 . 28037 1 1233 . 1 . 1 105 105 ILE HG13 H 1 1.049 0.01 . . . . . . . 105 ILE HG13 . 28037 1 1234 . 1 . 1 105 105 ILE HG21 H 1 0.683 0.01 . 1 . . . . . 105 ILE MG . 28037 1 1235 . 1 . 1 105 105 ILE HG22 H 1 0.683 0.01 . 1 . . . . . 105 ILE MG . 28037 1 1236 . 1 . 1 105 105 ILE HG23 H 1 0.683 0.01 . 1 . . . . . 105 ILE MG . 28037 1 1237 . 1 . 1 105 105 ILE HD11 H 1 0.708 0.01 . 1 . . . . . 105 ILE MD . 28037 1 1238 . 1 . 1 105 105 ILE HD12 H 1 0.708 0.01 . 1 . . . . . 105 ILE MD . 28037 1 1239 . 1 . 1 105 105 ILE HD13 H 1 0.708 0.01 . 1 . . . . . 105 ILE MD . 28037 1 1240 . 1 . 1 105 105 ILE C C 13 175.794 0.15 . 1 . . . . . 105 ILE C . 28037 1 1241 . 1 . 1 105 105 ILE CA C 13 60.231 0.1 . 1 . . . . . 105 ILE CA . 28037 1 1242 . 1 . 1 105 105 ILE CB C 13 38.368 0.1 . 1 . . . . . 105 ILE CB . 28037 1 1243 . 1 . 1 105 105 ILE CG1 C 13 28.376 0.1 . 1 . . . . . 105 ILE CG1 . 28037 1 1244 . 1 . 1 105 105 ILE CG2 C 13 18.243 0.1 . 1 . . . . . 105 ILE CG2 . 28037 1 1245 . 1 . 1 105 105 ILE CD1 C 13 14.377 0.1 . 1 . . . . . 105 ILE CD1 . 28037 1 1246 . 1 . 1 105 105 ILE N N 15 122.492 0.1 . 1 . . . . . 105 ILE N . 28037 1 1247 . 1 . 1 106 106 PHE H H 1 9.679 0.01 . 1 . . . . . 106 PHE H . 28037 1 1248 . 1 . 1 106 106 PHE HA H 1 5.927 0.01 . 1 . . . . . 106 PHE HA . 28037 1 1249 . 1 . 1 106 106 PHE HB2 H 1 2.827 0.01 . . . . . . . 106 PHE HB2 . 28037 1 1250 . 1 . 1 106 106 PHE HB3 H 1 2.827 0.01 . . . . . . . 106 PHE HB3 . 28037 1 1251 . 1 . 1 106 106 PHE HD1 H 1 7.30 0.01 . . . . . . . 106 PHE HD1 . 28037 1 1252 . 1 . 1 106 106 PHE HD2 H 1 7.30 0.01 . . . . . . . 106 PHE HD2 . 28037 1 1253 . 1 . 1 106 106 PHE HE1 H 1 7.323 0.01 . . . . . . . 106 PHE HE1 . 28037 1 1254 . 1 . 1 106 106 PHE HE2 H 1 7.323 0.01 . . . . . . . 106 PHE HE2 . 28037 1 1255 . 1 . 1 106 106 PHE HZ H 1 7.493 0.01 . 1 . . . . . 106 PHE HZ . 28037 1 1256 . 1 . 1 106 106 PHE C C 13 174.925 0.15 . 1 . . . . . 106 PHE C . 28037 1 1257 . 1 . 1 106 106 PHE CA C 13 55.588 0.1 . 1 . . . . . 106 PHE CA . 28037 1 1258 . 1 . 1 106 106 PHE CB C 13 43.399 0.1 . 1 . . . . . 106 PHE CB . 28037 1 1259 . 1 . 1 106 106 PHE CD1 C 13 131.911 0.1 . . . . . . . 106 PHE CD1 . 28037 1 1260 . 1 . 1 106 106 PHE CD2 C 13 131.911 0.1 . . . . . . . 106 PHE CD2 . 28037 1 1261 . 1 . 1 106 106 PHE CE1 C 13 130.285 0.1 . . . . . . . 106 PHE CE1 . 28037 1 1262 . 1 . 1 106 106 PHE CE2 C 13 130.285 0.1 . . . . . . . 106 PHE CE2 . 28037 1 1263 . 1 . 1 106 106 PHE CZ C 13 131.151 0.1 . 1 . . . . . 106 PHE CZ . 28037 1 1264 . 1 . 1 106 106 PHE N N 15 122.394 0.1 . 1 . . . . . 106 PHE N . 28037 1 1265 . 1 . 1 107 107 ASP H H 1 8.818 0.01 . 1 . . . . . 107 ASP H . 28037 1 1266 . 1 . 1 107 107 ASP HA H 1 5.332 0.01 . 1 . . . . . 107 ASP HA . 28037 1 1267 . 1 . 1 107 107 ASP HB2 H 1 2.501 0.01 . . . . . . . 107 ASP HB2 . 28037 1 1268 . 1 . 1 107 107 ASP HB3 H 1 2.501 0.01 . . . . . . . 107 ASP HB3 . 28037 1 1269 . 1 . 1 107 107 ASP C C 13 175.92 0.15 . 1 . . . . . 107 ASP C . 28037 1 1270 . 1 . 1 107 107 ASP CA C 13 54.357 0.1 . 1 . . . . . 107 ASP CA . 28037 1 1271 . 1 . 1 107 107 ASP CB C 13 41.101 0.1 . 1 . . . . . 107 ASP CB . 28037 1 1272 . 1 . 1 107 107 ASP N N 15 126.118 0.1 . 1 . . . . . 107 ASP N . 28037 1 1273 . 1 . 1 108 108 VAL H H 1 9.305 0.01 . 1 . . . . . 108 VAL H . 28037 1 1274 . 1 . 1 108 108 VAL HA H 1 4.908 0.01 . 1 . . . . . 108 VAL HA . 28037 1 1275 . 1 . 1 108 108 VAL HB H 1 1.627 0.01 . 1 . . . . . 108 VAL HB . 28037 1 1276 . 1 . 1 108 108 VAL HG11 H 1 0.476 0.01 . . . . . . . 108 VAL MG1 . 28037 1 1277 . 1 . 1 108 108 VAL HG12 H 1 0.476 0.01 . . . . . . . 108 VAL MG1 . 28037 1 1278 . 1 . 1 108 108 VAL HG13 H 1 0.476 0.01 . . . . . . . 108 VAL MG1 . 28037 1 1279 . 1 . 1 108 108 VAL HG21 H 1 0.532 0.01 . . . . . . . 108 VAL MG2 . 28037 1 1280 . 1 . 1 108 108 VAL HG22 H 1 0.532 0.01 . . . . . . . 108 VAL MG2 . 28037 1 1281 . 1 . 1 108 108 VAL HG23 H 1 0.532 0.01 . . . . . . . 108 VAL MG2 . 28037 1 1282 . 1 . 1 108 108 VAL C C 13 172.886 0.15 . 1 . . . . . 108 VAL C . 28037 1 1283 . 1 . 1 108 108 VAL CA C 13 60.566 0.1 . 1 . . . . . 108 VAL CA . 28037 1 1284 . 1 . 1 108 108 VAL CB C 13 35.517 0.1 . 1 . . . . . 108 VAL CB . 28037 1 1285 . 1 . 1 108 108 VAL CG1 C 13 21.119 0.1 . . . . . . . 108 VAL CG1 . 28037 1 1286 . 1 . 1 108 108 VAL CG2 C 13 21.076 0.1 . . . . . . . 108 VAL CG2 . 28037 1 1287 . 1 . 1 108 108 VAL N N 15 122.131 0.1 . 1 . . . . . 108 VAL N . 28037 1 1288 . 1 . 1 109 109 GLU H H 1 8.91 0.01 . 1 . . . . . 109 GLU H . 28037 1 1289 . 1 . 1 109 109 GLU HA H 1 5.299 0.01 . 1 . . . . . 109 GLU HA . 28037 1 1290 . 1 . 1 109 109 GLU HB2 H 1 1.635 0.01 . . . . . . . 109 GLU HB2 . 28037 1 1291 . 1 . 1 109 109 GLU HB3 H 1 1.635 0.01 . . . . . . . 109 GLU HB3 . 28037 1 1292 . 1 . 1 109 109 GLU HG2 H 1 1.853 0.01 . . . . . . . 109 GLU HG2 . 28037 1 1293 . 1 . 1 109 109 GLU HG3 H 1 1.853 0.01 . . . . . . . 109 GLU HG3 . 28037 1 1294 . 1 . 1 109 109 GLU C C 13 175.412 0.15 . 1 . . . . . 109 GLU C . 28037 1 1295 . 1 . 1 109 109 GLU CA C 13 53.659 0.1 . 1 . . . . . 109 GLU CA . 28037 1 1296 . 1 . 1 109 109 GLU CB C 13 33.19 0.1 . 1 . . . . . 109 GLU CB . 28037 1 1297 . 1 . 1 109 109 GLU CG C 13 35.629 0.1 . 1 . . . . . 109 GLU CG . 28037 1 1298 . 1 . 1 109 109 GLU N N 15 126.833 0.1 . 1 . . . . . 109 GLU N . 28037 1 1299 . 1 . 1 110 110 LEU H H 1 8.342 0.01 . 1 . . . . . 110 LEU H . 28037 1 1300 . 1 . 1 110 110 LEU HA H 1 4.494 0.01 . 1 . . . . . 110 LEU HA . 28037 1 1301 . 1 . 1 110 110 LEU HB2 H 1 0.809 0.01 . . . . . . . 110 LEU HB2 . 28037 1 1302 . 1 . 1 110 110 LEU HB3 H 1 0.809 0.01 . . . . . . . 110 LEU HB3 . 28037 1 1303 . 1 . 1 110 110 LEU HG H 1 1.14 0.01 . 1 . . . . . 110 LEU HG . 28037 1 1304 . 1 . 1 110 110 LEU HD11 H 1 0.442 0.01 . . . . . . . 110 LEU MD1 . 28037 1 1305 . 1 . 1 110 110 LEU HD12 H 1 0.442 0.01 . . . . . . . 110 LEU MD1 . 28037 1 1306 . 1 . 1 110 110 LEU HD13 H 1 0.442 0.01 . . . . . . . 110 LEU MD1 . 28037 1 1307 . 1 . 1 110 110 LEU HD21 H 1 0.69 0.01 . . . . . . . 110 LEU MD2 . 28037 1 1308 . 1 . 1 110 110 LEU HD22 H 1 0.69 0.01 . . . . . . . 110 LEU MD2 . 28037 1 1309 . 1 . 1 110 110 LEU HD23 H 1 0.69 0.01 . . . . . . . 110 LEU MD2 . 28037 1 1310 . 1 . 1 110 110 LEU C C 13 174.477 0.15 . 1 . . . . . 110 LEU C . 28037 1 1311 . 1 . 1 110 110 LEU CA C 13 54.246 0.1 . 1 . . . . . 110 LEU CA . 28037 1 1312 . 1 . 1 110 110 LEU CB C 13 41.085 0.1 . 1 . . . . . 110 LEU CB . 28037 1 1313 . 1 . 1 110 110 LEU CG C 13 28.34 0.1 . 1 . . . . . 110 LEU CG . 28037 1 1314 . 1 . 1 110 110 LEU CD1 C 13 26.632 0.1 . . . . . . . 110 LEU CD1 . 28037 1 1315 . 1 . 1 110 110 LEU CD2 C 13 24.071 0.1 . . . . . . . 110 LEU CD2 . 28037 1 1316 . 1 . 1 110 110 LEU N N 15 127.731 0.1 . 1 . . . . . 110 LEU N . 28037 1 1317 . 1 . 1 111 111 LEU H H 1 8.684 0.01 . 1 . . . . . 111 LEU H . 28037 1 1318 . 1 . 1 111 111 LEU HA H 1 4.232 0.01 . 1 . . . . . 111 LEU HA . 28037 1 1319 . 1 . 1 111 111 LEU HB2 H 1 1.267 0.01 . . . . . . . 111 LEU HB2 . 28037 1 1320 . 1 . 1 111 111 LEU HB3 H 1 1.267 0.01 . . . . . . . 111 LEU HB3 . 28037 1 1321 . 1 . 1 111 111 LEU HG H 1 0.577 0.01 . 1 . . . . . 111 LEU HG . 28037 1 1322 . 1 . 1 111 111 LEU HD11 H 1 0.688 0.01 . . . . . . . 111 LEU MD1 . 28037 1 1323 . 1 . 1 111 111 LEU HD12 H 1 0.688 0.01 . . . . . . . 111 LEU MD1 . 28037 1 1324 . 1 . 1 111 111 LEU HD13 H 1 0.688 0.01 . . . . . . . 111 LEU MD1 . 28037 1 1325 . 1 . 1 111 111 LEU HD21 H 1 0.687 0.01 . . . . . . . 111 LEU MD2 . 28037 1 1326 . 1 . 1 111 111 LEU HD22 H 1 0.687 0.01 . . . . . . . 111 LEU MD2 . 28037 1 1327 . 1 . 1 111 111 LEU HD23 H 1 0.687 0.01 . . . . . . . 111 LEU MD2 . 28037 1 1328 . 1 . 1 111 111 LEU C C 13 177.557 0.15 . 1 . . . . . 111 LEU C . 28037 1 1329 . 1 . 1 111 111 LEU CA C 13 56.782 0.1 . 1 . . . . . 111 LEU CA . 28037 1 1330 . 1 . 1 111 111 LEU CB C 13 42.585 0.1 . 1 . . . . . 111 LEU CB . 28037 1 1331 . 1 . 1 111 111 LEU CG C 13 26.293 0.1 . 1 . . . . . 111 LEU CG . 28037 1 1332 . 1 . 1 111 111 LEU CD1 C 13 22.871 0.1 . . . . . . . 111 LEU CD1 . 28037 1 1333 . 1 . 1 111 111 LEU CD2 C 13 22.871 0.1 . . . . . . . 111 LEU CD2 . 28037 1 1334 . 1 . 1 111 111 LEU N N 15 128.421 0.1 . 1 . . . . . 111 LEU N . 28037 1 1335 . 1 . 1 112 112 LYS H H 1 7.467 0.01 . 1 . . . . . 112 LYS H . 28037 1 1336 . 1 . 1 112 112 LYS HA H 1 4.224 0.01 . 1 . . . . . 112 LYS HA . 28037 1 1337 . 1 . 1 112 112 LYS HB2 H 1 1.541 0.01 . . . . . . . 112 LYS HB2 . 28037 1 1338 . 1 . 1 112 112 LYS HB3 H 1 1.541 0.01 . . . . . . . 112 LYS HB3 . 28037 1 1339 . 1 . 1 112 112 LYS HG2 H 1 1.226 0.01 . . . . . . . 112 LYS HG2 . 28037 1 1340 . 1 . 1 112 112 LYS HG3 H 1 1.226 0.01 . . . . . . . 112 LYS HG3 . 28037 1 1341 . 1 . 1 112 112 LYS HD2 H 1 1.508 0.01 . . . . . . . 112 LYS HD2 . 28037 1 1342 . 1 . 1 112 112 LYS HD3 H 1 1.508 0.01 . . . . . . . 112 LYS HD3 . 28037 1 1343 . 1 . 1 112 112 LYS HE2 H 1 2.857 0.01 . . . . . . . 112 LYS HE2 . 28037 1 1344 . 1 . 1 112 112 LYS HE3 H 1 2.857 0.01 . . . . . . . 112 LYS HE3 . 28037 1 1345 . 1 . 1 112 112 LYS C C 13 173.278 0.15 . 1 . . . . . 112 LYS C . 28037 1 1346 . 1 . 1 112 112 LYS CA C 13 56.239 0.1 . 1 . . . . . 112 LYS CA . 28037 1 1347 . 1 . 1 112 112 LYS CB C 13 37.073 0.1 . 1 . . . . . 112 LYS CB . 28037 1 1348 . 1 . 1 112 112 LYS CG C 13 24.858 0.1 . 1 . . . . . 112 LYS CG . 28037 1 1349 . 1 . 1 112 112 LYS CD C 13 27.961 0.1 . 1 . . . . . 112 LYS CD . 28037 1 1350 . 1 . 1 112 112 LYS CE C 13 42.108 0.1 . 1 . . . . . 112 LYS CE . 28037 1 1351 . 1 . 1 112 112 LYS N N 15 115.123 0.1 . 1 . . . . . 112 LYS N . 28037 1 1352 . 1 . 1 113 113 VAL H H 1 8.223 0.01 . 1 . . . . . 113 VAL H . 28037 1 1353 . 1 . 1 113 113 VAL HA H 1 4.258 0.01 . 1 . . . . . 113 VAL HA . 28037 1 1354 . 1 . 1 113 113 VAL HB H 1 1.583 0.01 . 1 . . . . . 113 VAL HB . 28037 1 1355 . 1 . 1 113 113 VAL HG11 H 1 0.596 0.01 . . . . . . . 113 VAL MG1 . 28037 1 1356 . 1 . 1 113 113 VAL HG12 H 1 0.596 0.01 . . . . . . . 113 VAL MG1 . 28037 1 1357 . 1 . 1 113 113 VAL HG13 H 1 0.596 0.01 . . . . . . . 113 VAL MG1 . 28037 1 1358 . 1 . 1 113 113 VAL HG21 H 1 0.596 0.01 . . . . . . . 113 VAL MG2 . 28037 1 1359 . 1 . 1 113 113 VAL HG22 H 1 0.596 0.01 . . . . . . . 113 VAL MG2 . 28037 1 1360 . 1 . 1 113 113 VAL HG23 H 1 0.596 0.01 . . . . . . . 113 VAL MG2 . 28037 1 1361 . 1 . 1 113 113 VAL C C 13 173.771 0.15 . 1 . . . . . 113 VAL C . 28037 1 1362 . 1 . 1 113 113 VAL CA C 13 61.818 0.1 . 1 . . . . . 113 VAL CA . 28037 1 1363 . 1 . 1 113 113 VAL CB C 13 33.311 0.1 . 1 . . . . . 113 VAL CB . 28037 1 1364 . 1 . 1 113 113 VAL CG1 C 13 22.714 0.1 . . . . . . . 113 VAL CG1 . 28037 1 1365 . 1 . 1 113 113 VAL CG2 C 13 22.15 0.1 . . . . . . . 113 VAL CG2 . 28037 1 1366 . 1 . 1 113 113 VAL N N 15 123.705 0.1 . 1 . . . . . 113 VAL N . 28037 1 1367 . 1 . 1 114 114 ASN H H 1 9.356 0.01 . 1 . . . . . 114 ASN H . 28037 1 1368 . 1 . 1 114 114 ASN HA H 1 4.043 0.01 . 1 . . . . . 114 ASN HA . 28037 1 1369 . 1 . 1 114 114 ASN HB2 H 1 2.763 0.01 . . . . . . . 114 ASN HB2 . 28037 1 1370 . 1 . 1 114 114 ASN HB3 H 1 2.763 0.01 . . . . . . . 114 ASN HB3 . 28037 1 1371 . 1 . 1 114 114 ASN HD21 H 1 6.694 0.01 . . . . . . . 114 ASN HD21 . 28037 1 1372 . 1 . 1 114 114 ASN HD22 H 1 7.578 0.01 . . . . . . . 114 ASN HD22 . 28037 1 1373 . 1 . 1 114 114 ASN C C 13 178.715 0.15 . 1 . . . . . 114 ASN C . 28037 1 1374 . 1 . 1 114 114 ASN CA C 13 56.075 0.1 . 1 . . . . . 114 ASN CA . 28037 1 1375 . 1 . 1 114 114 ASN CB C 13 38.974 0.1 . 1 . . . . . 114 ASN CB . 28037 1 1376 . 1 . 1 114 114 ASN CG C 13 178.827 0.1 . 1 . . . . . 114 ASN CG . 28037 1 1377 . 1 . 1 114 114 ASN N N 15 127.51 0.1 . 1 . . . . . 114 ASN N . 28037 1 1378 . 1 . 1 114 114 ASN ND2 N 15 114.854 0.1 . 1 . . . . . 114 ASN ND2 . 28037 1 stop_ save_