data_34504 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34504 _Entry.Title ; Second EH domain of AtEH1/Pan1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-25 _Entry.Accession_date 2020-03-25 _Entry.Last_release_date 2020-07-14 _Entry.Original_release_date 2020-07-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 . _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 K. Yperman K. . . . 34504 2 A. Papageorgiou A. . . . 34504 3 T. Evangelidis T. . . . 34504 4 D. 'Van Damme' D. . . . 34504 5 K. Tripsianes K. . . . 34504 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Adaptor protein' . 34504 Calcium-binding . 34504 EF-hand . 34504 'EH domain' . 34504 'PEPTIDE BINDING PROTEIN' . 34504 'peptide motif binding' . 34504 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34504 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 362 34504 '15N chemical shifts' 118 34504 '1H chemical shifts' 747 34504 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 . . 2021-09-12 2020-03-25 update BMRB 'update entry citation' 34504 1 . . 2021-03-26 2020-03-25 original author 'original release' 34504 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6YEU 'BMRB Entry Tracking System' 34504 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34504 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34031427 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Distinct EH domains of the endocytic TPLATE complex confer lipid and protein binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD 0353 _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 3050 _Citation.Page_last 3050 _Citation.Year 2021 _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 Klaas Yperman K. . . . 34504 1 2 Anna Papageorgiou A. C. . . 34504 1 3 Romain Merceron R. . . . 34504 1 4 Steven 'De Munck' S. . . . 34504 1 5 Yehudi Bloch Y. . . . 34504 1 6 Dominique Eeckhout D. . . . 34504 1 7 Qihang Jiang Q. . . . 34504 1 8 Pieter Tack P. . . . 34504 1 9 Rosa Grigoryan R. . . . 34504 1 10 Thomas Evangelidis T. . . . 34504 1 11 Jelle 'Van Leene' J. . . . 34504 1 12 Laszlo Vincze L. . . . 34504 1 13 Peter Vandenabeele P. . . . 34504 1 14 Frank Vanhaecke F. . . . 34504 1 15 Martin Potocky M. . . . 34504 1 16 Geert 'De Jaeger' G. . . . 34504 1 17 Savvas Savvides S. N. . . 34504 1 18 Konstantinos Tripsianes K. . . . 34504 1 19 Roman Pleskot R. . . . 34504 1 20 Daniel 'Van Damme' D. . . . 34504 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34504 _Assembly.ID 1 _Assembly.Name 'Calcium-binding EF hand family protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34504 1 2 unit_2 2 $entity_CA B A no . . . . . . 34504 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34504 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGMAGQNPNMDQFEAYFKRA DLDGDGRISGAEAVGFFQGS GLSKQVLAQIWSLSDRSHSG FLDRQNFYNSLRLVTVAQSK RDLTPEIVNAALNTPAAAKI PPPKINLSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11736.118 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID F2D10.25 common 34504 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 34504 1 2 0 GLY . 34504 1 3 1 MET . 34504 1 4 2 ALA . 34504 1 5 3 GLY . 34504 1 6 4 GLN . 34504 1 7 5 ASN . 34504 1 8 6 PRO . 34504 1 9 7 ASN . 34504 1 10 8 MET . 34504 1 11 9 ASP . 34504 1 12 10 GLN . 34504 1 13 11 PHE . 34504 1 14 12 GLU . 34504 1 15 13 ALA . 34504 1 16 14 TYR . 34504 1 17 15 PHE . 34504 1 18 16 LYS . 34504 1 19 17 ARG . 34504 1 20 18 ALA . 34504 1 21 19 ASP . 34504 1 22 20 LEU . 34504 1 23 21 ASP . 34504 1 24 22 GLY . 34504 1 25 23 ASP . 34504 1 26 24 GLY . 34504 1 27 25 ARG . 34504 1 28 26 ILE . 34504 1 29 27 SER . 34504 1 30 28 GLY . 34504 1 31 29 ALA . 34504 1 32 30 GLU . 34504 1 33 31 ALA . 34504 1 34 32 VAL . 34504 1 35 33 GLY . 34504 1 36 34 PHE . 34504 1 37 35 PHE . 34504 1 38 36 GLN . 34504 1 39 37 GLY . 34504 1 40 38 SER . 34504 1 41 39 GLY . 34504 1 42 40 LEU . 34504 1 43 41 SER . 34504 1 44 42 LYS . 34504 1 45 43 GLN . 34504 1 46 44 VAL . 34504 1 47 45 LEU . 34504 1 48 46 ALA . 34504 1 49 47 GLN . 34504 1 50 48 ILE . 34504 1 51 49 TRP . 34504 1 52 50 SER . 34504 1 53 51 LEU . 34504 1 54 52 SER . 34504 1 55 53 ASP . 34504 1 56 54 ARG . 34504 1 57 55 SER . 34504 1 58 56 HIS . 34504 1 59 57 SER . 34504 1 60 58 GLY . 34504 1 61 59 PHE . 34504 1 62 60 LEU . 34504 1 63 61 ASP . 34504 1 64 62 ARG . 34504 1 65 63 GLN . 34504 1 66 64 ASN . 34504 1 67 65 PHE . 34504 1 68 66 TYR . 34504 1 69 67 ASN . 34504 1 70 68 SER . 34504 1 71 69 LEU . 34504 1 72 70 ARG . 34504 1 73 71 LEU . 34504 1 74 72 VAL . 34504 1 75 73 THR . 34504 1 76 74 VAL . 34504 1 77 75 ALA . 34504 1 78 76 GLN . 34504 1 79 77 SER . 34504 1 80 78 LYS . 34504 1 81 79 ARG . 34504 1 82 80 ASP . 34504 1 83 81 LEU . 34504 1 84 82 THR . 34504 1 85 83 PRO . 34504 1 86 84 GLU . 34504 1 87 85 ILE . 34504 1 88 86 VAL . 34504 1 89 87 ASN . 34504 1 90 88 ALA . 34504 1 91 89 ALA . 34504 1 92 90 LEU . 34504 1 93 91 ASN . 34504 1 94 92 THR . 34504 1 95 93 PRO . 34504 1 96 94 ALA . 34504 1 97 95 ALA . 34504 1 98 96 ALA . 34504 1 99 97 LYS . 34504 1 100 98 ILE . 34504 1 101 99 PRO . 34504 1 102 100 PRO . 34504 1 103 101 PRO . 34504 1 104 102 LYS . 34504 1 105 103 ILE . 34504 1 106 104 ASN . 34504 1 107 105 LEU . 34504 1 108 106 SER . 34504 1 109 107 ALA . 34504 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34504 1 . GLY 2 2 34504 1 . MET 3 3 34504 1 . ALA 4 4 34504 1 . GLY 5 5 34504 1 . GLN 6 6 34504 1 . ASN 7 7 34504 1 . PRO 8 8 34504 1 . ASN 9 9 34504 1 . MET 10 10 34504 1 . ASP 11 11 34504 1 . GLN 12 12 34504 1 . PHE 13 13 34504 1 . GLU 14 14 34504 1 . ALA 15 15 34504 1 . TYR 16 16 34504 1 . PHE 17 17 34504 1 . LYS 18 18 34504 1 . ARG 19 19 34504 1 . ALA 20 20 34504 1 . ASP 21 21 34504 1 . LEU 22 22 34504 1 . ASP 23 23 34504 1 . GLY 24 24 34504 1 . ASP 25 25 34504 1 . GLY 26 26 34504 1 . ARG 27 27 34504 1 . ILE 28 28 34504 1 . SER 29 29 34504 1 . GLY 30 30 34504 1 . ALA 31 31 34504 1 . GLU 32 32 34504 1 . ALA 33 33 34504 1 . VAL 34 34 34504 1 . GLY 35 35 34504 1 . PHE 36 36 34504 1 . PHE 37 37 34504 1 . GLN 38 38 34504 1 . GLY 39 39 34504 1 . SER 40 40 34504 1 . GLY 41 41 34504 1 . LEU 42 42 34504 1 . SER 43 43 34504 1 . LYS 44 44 34504 1 . GLN 45 45 34504 1 . VAL 46 46 34504 1 . LEU 47 47 34504 1 . ALA 48 48 34504 1 . GLN 49 49 34504 1 . ILE 50 50 34504 1 . TRP 51 51 34504 1 . SER 52 52 34504 1 . LEU 53 53 34504 1 . SER 54 54 34504 1 . ASP 55 55 34504 1 . ARG 56 56 34504 1 . SER 57 57 34504 1 . HIS 58 58 34504 1 . SER 59 59 34504 1 . GLY 60 60 34504 1 . PHE 61 61 34504 1 . LEU 62 62 34504 1 . ASP 63 63 34504 1 . ARG 64 64 34504 1 . GLN 65 65 34504 1 . ASN 66 66 34504 1 . PHE 67 67 34504 1 . TYR 68 68 34504 1 . ASN 69 69 34504 1 . SER 70 70 34504 1 . LEU 71 71 34504 1 . ARG 72 72 34504 1 . LEU 73 73 34504 1 . VAL 74 74 34504 1 . THR 75 75 34504 1 . VAL 76 76 34504 1 . ALA 77 77 34504 1 . GLN 78 78 34504 1 . SER 79 79 34504 1 . LYS 80 80 34504 1 . ARG 81 81 34504 1 . ASP 82 82 34504 1 . LEU 83 83 34504 1 . THR 84 84 34504 1 . PRO 85 85 34504 1 . GLU 86 86 34504 1 . ILE 87 87 34504 1 . VAL 88 88 34504 1 . ASN 89 89 34504 1 . ALA 90 90 34504 1 . ALA 91 91 34504 1 . LEU 92 92 34504 1 . ASN 93 93 34504 1 . THR 94 94 34504 1 . PRO 95 95 34504 1 . ALA 96 96 34504 1 . ALA 97 97 34504 1 . ALA 98 98 34504 1 . LYS 99 99 34504 1 . ILE 100 100 34504 1 . PRO 101 101 34504 1 . PRO 102 102 34504 1 . PRO 103 103 34504 1 . LYS 104 104 34504 1 . ILE 105 105 34504 1 . ASN 106 106 34504 1 . LEU 107 107 34504 1 . SER 108 108 34504 1 . ALA 109 109 34504 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 34504 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 34504 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 34504 2 CA 'Three letter code' 34504 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 34504 2 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 34504 _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 $entity_1 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . 'At1g20760, F2D10.25, F2D10_25' . 34504 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 34504 _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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21' . . 511693 . . . . . pET . . pET22b_EH11 . . . 34504 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 34504 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 34504 CA InChI=1S/Ca/q+2 InChI InChI 1.03 34504 CA [Ca++] SMILES CACTVS 3.341 34504 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 34504 CA [Ca+2] SMILES ACDLabs 10.04 34504 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 34504 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34504 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 34504 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34504 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34504 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34504 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-99% 13C; U-99% 15N] EH11, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EH11 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34504 1 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 34504 _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' 150 . mM 34504 1 pH 6.5 . pH 34504 1 pressure 1 . atm 34504 1 temperature 298 . K 34504 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34504 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 34504 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34504 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34504 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34504 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34504 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34504 _Software.ID 3 _Software.Type . _Software.Name 4D-CHAINS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Evangelidis and Tripsianes' . . 34504 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34504 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34504 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34504 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34504 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34504 _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 850 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 34504 _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 NMR_spectrometer_1 Bruker 'AVANCE III' . 850 . . . 34504 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 34504 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '4D HC(CC TOCSY(CO))NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34504 1 2 '4D 13C,15N edited HMQC-NOESY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34504 1 3 '4D 13C,13C edited HMQC-NOESY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34504 1 4 '3D 13C edited NOESY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34504 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34504 _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 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34504 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34504 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34504 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34504 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '4D HC(CC TOCSY(CO))NH' . . . 34504 1 2 '4D 13C,15N edited HMQC-NOESY-HSQC' . . . 34504 1 3 '4D 13C,13C edited HMQC-NOESY-HSQC' . . . 34504 1 4 '3D 13C edited NOESY-HSQC' . . . 34504 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 3 3 MET H H 1 8.369 0.002 . . . . . . A 1 MET H1 . 34504 1 2 . 1 . 1 3 3 MET HA H 1 4.423 0.006 . . . . . . A 1 MET HA . 34504 1 3 . 1 . 1 3 3 MET HB2 H 1 2.024 0.010 . . . . . . A 1 MET HB2 . 34504 1 4 . 1 . 1 3 3 MET HB3 H 1 1.916 0.020 . . . . . . A 1 MET HB3 . 34504 1 5 . 1 . 1 3 3 MET HG2 H 1 2.537 0.020 . . . . . . A 1 MET HG2 . 34504 1 6 . 1 . 1 3 3 MET HG3 H 1 2.537 0.020 . . . . . . A 1 MET HG3 . 34504 1 7 . 1 . 1 3 3 MET HE1 H 1 2.024 0.020 . . . . . . A 1 MET HE1 . 34504 1 8 . 1 . 1 3 3 MET HE2 H 1 2.024 0.020 . . . . . . A 1 MET HE2 . 34504 1 9 . 1 . 1 3 3 MET HE3 H 1 2.024 0.020 . . . . . . A 1 MET HE3 . 34504 1 10 . 1 . 1 3 3 MET CA C 13 55.396 0.012 . . . . . . A 1 MET CA . 34504 1 11 . 1 . 1 3 3 MET CB C 13 33.083 0.115 . . . . . . A 1 MET CB . 34504 1 12 . 1 . 1 3 3 MET CG C 13 32.023 0.200 . . . . . . A 1 MET CG . 34504 1 13 . 1 . 1 3 3 MET CE C 13 16.978 0.200 . . . . . . A 1 MET CE . 34504 1 14 . 1 . 1 3 3 MET N N 15 120.246 0.009 . . . . . . A 1 MET N . 34504 1 15 . 1 . 1 4 4 ALA H H 1 8.359 0.007 . . . . . . A 2 ALA H . 34504 1 16 . 1 . 1 4 4 ALA HA H 1 4.253 0.020 . . . . . . A 2 ALA HA . 34504 1 17 . 1 . 1 4 4 ALA HB1 H 1 1.332 0.012 . . . . . . A 2 ALA HB1 . 34504 1 18 . 1 . 1 4 4 ALA HB2 H 1 1.332 0.012 . . . . . . A 2 ALA HB2 . 34504 1 19 . 1 . 1 4 4 ALA HB3 H 1 1.332 0.012 . . . . . . A 2 ALA HB3 . 34504 1 20 . 1 . 1 4 4 ALA CA C 13 52.823 0.028 . . . . . . A 2 ALA CA . 34504 1 21 . 1 . 1 4 4 ALA CB C 13 19.054 0.036 . . . . . . A 2 ALA CB . 34504 1 22 . 1 . 1 4 4 ALA N N 15 125.548 0.029 . . . . . . A 2 ALA N . 34504 1 23 . 1 . 1 5 5 GLY H H 1 8.365 0.001 . . . . . . A 3 GLY H . 34504 1 24 . 1 . 1 5 5 GLY HA2 H 1 3.870 0.003 . . . . . . A 3 GLY HA2 . 34504 1 25 . 1 . 1 5 5 GLY HA3 H 1 3.870 0.003 . . . . . . A 3 GLY HA3 . 34504 1 26 . 1 . 1 5 5 GLY CA C 13 45.279 0.013 . . . . . . A 3 GLY CA . 34504 1 27 . 1 . 1 5 5 GLY N N 15 108.409 0.004 . . . . . . A 3 GLY N . 34504 1 28 . 1 . 1 6 6 GLN H H 1 8.069 0.020 . . . . . . A 4 GLN H . 34504 1 29 . 1 . 1 6 6 GLN HA H 1 4.261 0.004 . . . . . . A 4 GLN HA . 34504 1 30 . 1 . 1 6 6 GLN HB2 H 1 2.011 0.020 . . . . . . A 4 GLN HB2 . 34504 1 31 . 1 . 1 6 6 GLN HB3 H 1 1.870 0.020 . . . . . . A 4 GLN HB3 . 34504 1 32 . 1 . 1 6 6 GLN HG2 H 1 2.267 0.020 . . . . . . A 4 GLN HG2 . 34504 1 33 . 1 . 1 6 6 GLN HG3 H 1 2.267 0.020 . . . . . . A 4 GLN HG3 . 34504 1 34 . 1 . 1 6 6 GLN HE21 H 1 7.487 0.020 . . . . . . A 4 GLN HE21 . 34504 1 35 . 1 . 1 6 6 GLN HE22 H 1 6.796 0.020 . . . . . . A 4 GLN HE22 . 34504 1 36 . 1 . 1 6 6 GLN CA C 13 55.623 0.016 . . . . . . A 4 GLN CA . 34504 1 37 . 1 . 1 6 6 GLN CB C 13 29.657 0.023 . . . . . . A 4 GLN CB . 34504 1 38 . 1 . 1 6 6 GLN CG C 13 33.785 0.057 . . . . . . A 4 GLN CG . 34504 1 39 . 1 . 1 6 6 GLN N N 15 119.143 0.008 . . . . . . A 4 GLN N . 34504 1 40 . 1 . 1 6 6 GLN NE2 N 15 112.455 0.010 . . . . . . A 4 GLN NE2 . 34504 1 41 . 1 . 1 7 7 ASN H H 1 8.486 0.002 . . . . . . A 5 ASN H . 34504 1 42 . 1 . 1 7 7 ASN HA H 1 4.907 0.020 . . . . . . A 5 ASN HA . 34504 1 43 . 1 . 1 7 7 ASN HB2 H 1 2.796 0.005 . . . . . . A 5 ASN HB2 . 34504 1 44 . 1 . 1 7 7 ASN HB3 H 1 2.649 0.001 . . . . . . A 5 ASN HB3 . 34504 1 45 . 1 . 1 7 7 ASN HD21 H 1 7.609 0.002 . . . . . . A 5 ASN HD21 . 34504 1 46 . 1 . 1 7 7 ASN HD22 H 1 6.852 0.003 . . . . . . A 5 ASN HD22 . 34504 1 47 . 1 . 1 7 7 ASN CA C 13 51.326 0.017 . . . . . . A 5 ASN CA . 34504 1 48 . 1 . 1 7 7 ASN CB C 13 39.011 0.012 . . . . . . A 5 ASN CB . 34504 1 49 . 1 . 1 7 7 ASN N N 15 120.804 0.009 . . . . . . A 5 ASN N . 34504 1 50 . 1 . 1 7 7 ASN ND2 N 15 113.174 0.008 . . . . . . A 5 ASN ND2 . 34504 1 51 . 1 . 1 8 8 PRO HA H 1 4.372 0.001 . . . . . . A 6 PRO HA . 34504 1 52 . 1 . 1 8 8 PRO HB2 H 1 2.240 0.003 . . . . . . A 6 PRO HB2 . 34504 1 53 . 1 . 1 8 8 PRO HB3 H 1 1.878 0.005 . . . . . . A 6 PRO HB3 . 34504 1 54 . 1 . 1 8 8 PRO HG2 H 1 1.927 0.004 . . . . . . A 6 PRO HG2 . 34504 1 55 . 1 . 1 8 8 PRO HG3 H 1 1.927 0.004 . . . . . . A 6 PRO HG3 . 34504 1 56 . 1 . 1 8 8 PRO HD2 H 1 3.712 0.001 . . . . . . A 6 PRO HD2 . 34504 1 57 . 1 . 1 8 8 PRO HD3 H 1 3.712 0.001 . . . . . . A 6 PRO HD3 . 34504 1 58 . 1 . 1 8 8 PRO CA C 13 63.847 0.020 . . . . . . A 6 PRO CA . 34504 1 59 . 1 . 1 8 8 PRO CB C 13 32.170 0.020 . . . . . . A 6 PRO CB . 34504 1 60 . 1 . 1 8 8 PRO CG C 13 27.218 0.022 . . . . . . A 6 PRO CG . 34504 1 61 . 1 . 1 8 8 PRO CD C 13 50.796 0.015 . . . . . . A 6 PRO CD . 34504 1 62 . 1 . 1 9 9 ASN H H 1 8.412 0.001 . . . . . . A 7 ASN H . 34504 1 63 . 1 . 1 9 9 ASN HA H 1 4.619 0.020 . . . . . . A 7 ASN HA . 34504 1 64 . 1 . 1 9 9 ASN HB2 H 1 2.751 0.020 . . . . . . A 7 ASN HB2 . 34504 1 65 . 1 . 1 9 9 ASN HB3 H 1 2.751 0.020 . . . . . . A 7 ASN HB3 . 34504 1 66 . 1 . 1 9 9 ASN HD21 H 1 7.591 0.020 . . . . . . A 7 ASN HD21 . 34504 1 67 . 1 . 1 9 9 ASN HD22 H 1 6.929 0.002 . . . . . . A 7 ASN HD22 . 34504 1 68 . 1 . 1 9 9 ASN CA C 13 53.950 0.016 . . . . . . A 7 ASN CA . 34504 1 69 . 1 . 1 9 9 ASN CB C 13 38.606 0.002 . . . . . . A 7 ASN CB . 34504 1 70 . 1 . 1 9 9 ASN N N 15 117.341 0.004 . . . . . . A 7 ASN N . 34504 1 71 . 1 . 1 9 9 ASN ND2 N 15 112.890 0.003 . . . . . . A 7 ASN ND2 . 34504 1 72 . 1 . 1 10 10 MET H H 1 8.023 0.001 . . . . . . A 8 MET H . 34504 1 73 . 1 . 1 10 10 MET HA H 1 4.435 0.002 . . . . . . A 8 MET HA . 34504 1 74 . 1 . 1 10 10 MET HB2 H 1 2.095 0.020 . . . . . . A 8 MET HB2 . 34504 1 75 . 1 . 1 10 10 MET HB3 H 1 2.006 0.017 . . . . . . A 8 MET HB3 . 34504 1 76 . 1 . 1 10 10 MET HG2 H 1 2.598 0.020 . . . . . . A 8 MET HG2 . 34504 1 77 . 1 . 1 10 10 MET HG3 H 1 2.470 0.004 . . . . . . A 8 MET HG3 . 34504 1 78 . 1 . 1 10 10 MET HE1 H 1 1.718 0.003 . . . . . . A 8 MET HE1 . 34504 1 79 . 1 . 1 10 10 MET HE2 H 1 1.718 0.003 . . . . . . A 8 MET HE2 . 34504 1 80 . 1 . 1 10 10 MET HE3 H 1 1.718 0.003 . . . . . . A 8 MET HE3 . 34504 1 81 . 1 . 1 10 10 MET CA C 13 56.286 0.059 . . . . . . A 8 MET CA . 34504 1 82 . 1 . 1 10 10 MET CB C 13 31.520 0.142 . . . . . . A 8 MET CB . 34504 1 83 . 1 . 1 10 10 MET CG C 13 31.985 0.119 . . . . . . A 8 MET CG . 34504 1 84 . 1 . 1 10 10 MET CE C 13 16.674 0.029 . . . . . . A 8 MET CE . 34504 1 85 . 1 . 1 10 10 MET N N 15 119.997 0.010 . . . . . . A 8 MET N . 34504 1 86 . 1 . 1 11 11 ASP H H 1 8.416 0.001 . . . . . . A 9 ASP H . 34504 1 87 . 1 . 1 11 11 ASP HA H 1 4.382 0.020 . . . . . . A 9 ASP HA . 34504 1 88 . 1 . 1 11 11 ASP HB2 H 1 2.673 0.011 . . . . . . A 9 ASP HB2 . 34504 1 89 . 1 . 1 11 11 ASP HB3 H 1 2.673 0.011 . . . . . . A 9 ASP HB3 . 34504 1 90 . 1 . 1 11 11 ASP CA C 13 56.673 0.011 . . . . . . A 9 ASP CA . 34504 1 91 . 1 . 1 11 11 ASP CB C 13 40.094 0.022 . . . . . . A 9 ASP CB . 34504 1 92 . 1 . 1 11 11 ASP N N 15 120.621 0.009 . . . . . . A 9 ASP N . 34504 1 93 . 1 . 1 12 12 GLN H H 1 8.264 0.001 . . . . . . A 10 GLN H . 34504 1 94 . 1 . 1 12 12 GLN HA H 1 4.001 0.004 . . . . . . A 10 GLN HA . 34504 1 95 . 1 . 1 12 12 GLN HB2 H 1 1.880 0.006 . . . . . . A 10 GLN HB2 . 34504 1 96 . 1 . 1 12 12 GLN HB3 H 1 1.657 0.009 . . . . . . A 10 GLN HB3 . 34504 1 97 . 1 . 1 12 12 GLN HG2 H 1 2.045 0.001 . . . . . . A 10 GLN HG2 . 34504 1 98 . 1 . 1 12 12 GLN HG3 H 1 1.948 0.003 . . . . . . A 10 GLN HG3 . 34504 1 99 . 1 . 1 12 12 GLN HE21 H 1 6.801 0.002 . . . . . . A 10 GLN HE21 . 34504 1 100 . 1 . 1 12 12 GLN HE22 H 1 6.588 0.001 . . . . . . A 10 GLN HE22 . 34504 1 101 . 1 . 1 12 12 GLN CA C 13 57.873 0.111 . . . . . . A 10 GLN CA . 34504 1 102 . 1 . 1 12 12 GLN CB C 13 28.959 0.004 . . . . . . A 10 GLN CB . 34504 1 103 . 1 . 1 12 12 GLN CG C 13 33.775 0.087 . . . . . . A 10 GLN CG . 34504 1 104 . 1 . 1 12 12 GLN N N 15 120.415 0.004 . . . . . . A 10 GLN N . 34504 1 105 . 1 . 1 12 12 GLN NE2 N 15 112.532 0.029 . . . . . . A 10 GLN NE2 . 34504 1 106 . 1 . 1 13 13 PHE H H 1 7.624 0.005 . . . . . . A 11 PHE H . 34504 1 107 . 1 . 1 13 13 PHE HA H 1 3.847 0.002 . . . . . . A 11 PHE HA . 34504 1 108 . 1 . 1 13 13 PHE HB2 H 1 2.743 0.020 . . . . . . A 11 PHE HB2 . 34504 1 109 . 1 . 1 13 13 PHE HB3 H 1 2.063 0.020 . . . . . . A 11 PHE HB3 . 34504 1 110 . 1 . 1 13 13 PHE HD1 H 1 7.080 0.020 . . . . . . A 11 PHE HD1 . 34504 1 111 . 1 . 1 13 13 PHE HD2 H 1 7.080 0.020 . . . . . . A 11 PHE HD2 . 34504 1 112 . 1 . 1 13 13 PHE HE1 H 1 7.188 0.020 . . . . . . A 11 PHE HE1 . 34504 1 113 . 1 . 1 13 13 PHE HE2 H 1 7.188 0.020 . . . . . . A 11 PHE HE2 . 34504 1 114 . 1 . 1 13 13 PHE HZ H 1 7.080 0.020 . . . . . . A 11 PHE HZ . 34504 1 115 . 1 . 1 13 13 PHE CA C 13 62.912 0.200 . . . . . . A 11 PHE CA . 34504 1 116 . 1 . 1 13 13 PHE CB C 13 36.929 0.014 . . . . . . A 11 PHE CB . 34504 1 117 . 1 . 1 13 13 PHE CD1 C 13 131.446 0.200 . . . . . . A 11 PHE CD1 . 34504 1 118 . 1 . 1 13 13 PHE CD2 C 13 131.446 0.200 . . . . . . A 11 PHE CD2 . 34504 1 119 . 1 . 1 13 13 PHE CE1 C 13 131.148 0.200 . . . . . . A 11 PHE CE1 . 34504 1 120 . 1 . 1 13 13 PHE CE2 C 13 131.148 0.200 . . . . . . A 11 PHE CE2 . 34504 1 121 . 1 . 1 13 13 PHE CZ C 13 129.755 0.200 . . . . . . A 11 PHE CZ . 34504 1 122 . 1 . 1 13 13 PHE N N 15 118.941 0.013 . . . . . . A 11 PHE N . 34504 1 123 . 1 . 1 14 14 GLU H H 1 8.005 0.001 . . . . . . A 12 GLU H . 34504 1 124 . 1 . 1 14 14 GLU HA H 1 4.538 0.004 . . . . . . A 12 GLU HA . 34504 1 125 . 1 . 1 14 14 GLU HB2 H 1 2.183 0.009 . . . . . . A 12 GLU HB2 . 34504 1 126 . 1 . 1 14 14 GLU HB3 H 1 1.999 0.003 . . . . . . A 12 GLU HB3 . 34504 1 127 . 1 . 1 14 14 GLU HG2 H 1 2.401 0.006 . . . . . . A 12 GLU HG2 . 34504 1 128 . 1 . 1 14 14 GLU HG3 H 1 2.359 0.006 . . . . . . A 12 GLU HG3 . 34504 1 129 . 1 . 1 14 14 GLU CA C 13 58.950 0.071 . . . . . . A 12 GLU CA . 34504 1 130 . 1 . 1 14 14 GLU CB C 13 28.921 0.028 . . . . . . A 12 GLU CB . 34504 1 131 . 1 . 1 14 14 GLU CG C 13 35.706 0.035 . . . . . . A 12 GLU CG . 34504 1 132 . 1 . 1 14 14 GLU N N 15 119.080 0.010 . . . . . . A 12 GLU N . 34504 1 133 . 1 . 1 15 15 ALA H H 1 8.104 0.001 . . . . . . A 13 ALA H . 34504 1 134 . 1 . 1 15 15 ALA HA H 1 4.151 0.010 . . . . . . A 13 ALA HA . 34504 1 135 . 1 . 1 15 15 ALA HB1 H 1 1.416 0.011 . . . . . . A 13 ALA HB1 . 34504 1 136 . 1 . 1 15 15 ALA HB2 H 1 1.416 0.011 . . . . . . A 13 ALA HB2 . 34504 1 137 . 1 . 1 15 15 ALA HB3 H 1 1.416 0.011 . . . . . . A 13 ALA HB3 . 34504 1 138 . 1 . 1 15 15 ALA CA C 13 55.235 0.035 . . . . . . A 13 ALA CA . 34504 1 139 . 1 . 1 15 15 ALA CB C 13 17.894 0.014 . . . . . . A 13 ALA CB . 34504 1 140 . 1 . 1 15 15 ALA N N 15 122.061 0.007 . . . . . . A 13 ALA N . 34504 1 141 . 1 . 1 16 16 TYR H H 1 8.245 0.010 . . . . . . A 14 TYR H . 34504 1 142 . 1 . 1 16 16 TYR HA H 1 4.567 0.020 . . . . . . A 14 TYR HA . 34504 1 143 . 1 . 1 16 16 TYR HB2 H 1 3.651 0.020 . . . . . . A 14 TYR HB2 . 34504 1 144 . 1 . 1 16 16 TYR HB3 H 1 3.143 0.014 . . . . . . A 14 TYR HB3 . 34504 1 145 . 1 . 1 16 16 TYR HD1 H 1 7.090 0.020 . . . . . . A 14 TYR HD1 . 34504 1 146 . 1 . 1 16 16 TYR HD2 H 1 7.090 0.020 . . . . . . A 14 TYR HD2 . 34504 1 147 . 1 . 1 16 16 TYR HE1 H 1 6.843 0.002 . . . . . . A 14 TYR HE1 . 34504 1 148 . 1 . 1 16 16 TYR HE2 H 1 6.843 0.002 . . . . . . A 14 TYR HE2 . 34504 1 149 . 1 . 1 16 16 TYR CA C 13 58.292 0.048 . . . . . . A 14 TYR CA . 34504 1 150 . 1 . 1 16 16 TYR CB C 13 37.264 0.041 . . . . . . A 14 TYR CB . 34504 1 151 . 1 . 1 16 16 TYR CD1 C 13 130.468 0.099 . . . . . . A 14 TYR CD1 . 34504 1 152 . 1 . 1 16 16 TYR CD2 C 13 130.468 0.099 . . . . . . A 14 TYR CD2 . 34504 1 153 . 1 . 1 16 16 TYR CE1 C 13 118.294 0.113 . . . . . . A 14 TYR CE1 . 34504 1 154 . 1 . 1 16 16 TYR CE2 C 13 118.294 0.113 . . . . . . A 14 TYR CE2 . 34504 1 155 . 1 . 1 16 16 TYR N N 15 117.782 0.010 . . . . . . A 14 TYR N . 34504 1 156 . 1 . 1 17 17 PHE H H 1 8.348 0.001 . . . . . . A 15 PHE H . 34504 1 157 . 1 . 1 17 17 PHE HA H 1 3.503 0.001 . . . . . . A 15 PHE HA . 34504 1 158 . 1 . 1 17 17 PHE HB2 H 1 3.579 0.003 . . . . . . A 15 PHE HB2 . 34504 1 159 . 1 . 1 17 17 PHE HB3 H 1 3.292 0.001 . . . . . . A 15 PHE HB3 . 34504 1 160 . 1 . 1 17 17 PHE HD1 H 1 6.909 0.020 . . . . . . A 15 PHE HD1 . 34504 1 161 . 1 . 1 17 17 PHE HD2 H 1 6.909 0.020 . . . . . . A 15 PHE HD2 . 34504 1 162 . 1 . 1 17 17 PHE HE1 H 1 6.889 0.031 . . . . . . A 15 PHE HE1 . 34504 1 163 . 1 . 1 17 17 PHE HE2 H 1 6.889 0.031 . . . . . . A 15 PHE HE2 . 34504 1 164 . 1 . 1 17 17 PHE HZ H 1 6.853 0.020 . . . . . . A 15 PHE HZ . 34504 1 165 . 1 . 1 17 17 PHE CA C 13 62.212 0.022 . . . . . . A 15 PHE CA . 34504 1 166 . 1 . 1 17 17 PHE CB C 13 39.293 0.029 . . . . . . A 15 PHE CB . 34504 1 167 . 1 . 1 17 17 PHE CD1 C 13 131.551 0.200 . . . . . . A 15 PHE CD1 . 34504 1 168 . 1 . 1 17 17 PHE CD2 C 13 131.551 0.200 . . . . . . A 15 PHE CD2 . 34504 1 169 . 1 . 1 17 17 PHE CE1 C 13 130.639 0.100 . . . . . . A 15 PHE CE1 . 34504 1 170 . 1 . 1 17 17 PHE CE2 C 13 130.639 0.100 . . . . . . A 15 PHE CE2 . 34504 1 171 . 1 . 1 17 17 PHE CZ C 13 129.193 0.003 . . . . . . A 15 PHE CZ . 34504 1 172 . 1 . 1 17 17 PHE N N 15 121.156 0.030 . . . . . . A 15 PHE N . 34504 1 173 . 1 . 1 18 18 LYS H H 1 8.211 0.001 . . . . . . A 16 LYS H . 34504 1 174 . 1 . 1 18 18 LYS HA H 1 3.766 0.001 . . . . . . A 16 LYS HA . 34504 1 175 . 1 . 1 18 18 LYS HB2 H 1 1.891 0.011 . . . . . . A 16 LYS HB2 . 34504 1 176 . 1 . 1 18 18 LYS HB3 H 1 1.828 0.001 . . . . . . A 16 LYS HB3 . 34504 1 177 . 1 . 1 18 18 LYS HG2 H 1 1.677 0.002 . . . . . . A 16 LYS HG2 . 34504 1 178 . 1 . 1 18 18 LYS HG3 H 1 1.484 0.009 . . . . . . A 16 LYS HG3 . 34504 1 179 . 1 . 1 18 18 LYS HD2 H 1 1.692 0.002 . . . . . . A 16 LYS HD2 . 34504 1 180 . 1 . 1 18 18 LYS HD3 H 1 1.692 0.002 . . . . . . A 16 LYS HD3 . 34504 1 181 . 1 . 1 18 18 LYS HE2 H 1 2.979 0.005 . . . . . . A 16 LYS HE2 . 34504 1 182 . 1 . 1 18 18 LYS HE3 H 1 2.979 0.005 . . . . . . A 16 LYS HE3 . 34504 1 183 . 1 . 1 18 18 LYS CA C 13 59.011 0.200 . . . . . . A 16 LYS CA . 34504 1 184 . 1 . 1 18 18 LYS CB C 13 32.331 0.017 . . . . . . A 16 LYS CB . 34504 1 185 . 1 . 1 18 18 LYS CG C 13 25.438 0.046 . . . . . . A 16 LYS CG . 34504 1 186 . 1 . 1 18 18 LYS CD C 13 29.031 0.200 . . . . . . A 16 LYS CD . 34504 1 187 . 1 . 1 18 18 LYS CE C 13 42.159 0.200 . . . . . . A 16 LYS CE . 34504 1 188 . 1 . 1 18 18 LYS N N 15 115.768 0.005 . . . . . . A 16 LYS N . 34504 1 189 . 1 . 1 19 19 ARG H H 1 7.624 0.002 . . . . . . A 17 ARG H . 34504 1 190 . 1 . 1 19 19 ARG HA H 1 3.969 0.003 . . . . . . A 17 ARG HA . 34504 1 191 . 1 . 1 19 19 ARG HB2 H 1 1.988 0.004 . . . . . . A 17 ARG HB2 . 34504 1 192 . 1 . 1 19 19 ARG HB3 H 1 1.988 0.004 . . . . . . A 17 ARG HB3 . 34504 1 193 . 1 . 1 19 19 ARG HG2 H 1 1.814 0.003 . . . . . . A 17 ARG HG2 . 34504 1 194 . 1 . 1 19 19 ARG HG3 H 1 1.814 0.003 . . . . . . A 17 ARG HG3 . 34504 1 195 . 1 . 1 19 19 ARG HD2 H 1 3.311 0.011 . . . . . . A 17 ARG HD2 . 34504 1 196 . 1 . 1 19 19 ARG HD3 H 1 3.224 0.007 . . . . . . A 17 ARG HD3 . 34504 1 197 . 1 . 1 19 19 ARG CA C 13 57.301 0.009 . . . . . . A 17 ARG CA . 34504 1 198 . 1 . 1 19 19 ARG CB C 13 30.474 0.200 . . . . . . A 17 ARG CB . 34504 1 199 . 1 . 1 19 19 ARG CG C 13 27.310 0.200 . . . . . . A 17 ARG CG . 34504 1 200 . 1 . 1 19 19 ARG CD C 13 43.139 0.054 . . . . . . A 17 ARG CD . 34504 1 201 . 1 . 1 19 19 ARG N N 15 116.965 0.032 . . . . . . A 17 ARG N . 34504 1 202 . 1 . 1 20 20 ALA H H 1 7.753 0.003 . . . . . . A 18 ALA H . 34504 1 203 . 1 . 1 20 20 ALA HA H 1 3.834 0.020 . . . . . . A 18 ALA HA . 34504 1 204 . 1 . 1 20 20 ALA HB1 H 1 0.244 0.020 . . . . . . A 18 ALA HB1 . 34504 1 205 . 1 . 1 20 20 ALA HB2 H 1 0.244 0.020 . . . . . . A 18 ALA HB2 . 34504 1 206 . 1 . 1 20 20 ALA HB3 H 1 0.244 0.020 . . . . . . A 18 ALA HB3 . 34504 1 207 . 1 . 1 20 20 ALA CA C 13 53.010 0.012 . . . . . . A 18 ALA CA . 34504 1 208 . 1 . 1 20 20 ALA CB C 13 18.067 0.002 . . . . . . A 18 ALA CB . 34504 1 209 . 1 . 1 20 20 ALA N N 15 120.037 0.008 . . . . . . A 18 ALA N . 34504 1 210 . 1 . 1 21 21 ASP H H 1 7.053 0.001 . . . . . . A 19 ASP H . 34504 1 211 . 1 . 1 21 21 ASP HA H 1 4.194 0.020 . . . . . . A 19 ASP HA . 34504 1 212 . 1 . 1 21 21 ASP HB2 H 1 2.406 0.020 . . . . . . A 19 ASP HB2 . 34504 1 213 . 1 . 1 21 21 ASP HB3 H 1 1.505 0.020 . . . . . . A 19 ASP HB3 . 34504 1 214 . 1 . 1 21 21 ASP CA C 13 52.493 0.005 . . . . . . A 19 ASP CA . 34504 1 215 . 1 . 1 21 21 ASP CB C 13 37.722 0.054 . . . . . . A 19 ASP CB . 34504 1 216 . 1 . 1 21 21 ASP N N 15 115.735 0.001 . . . . . . A 19 ASP N . 34504 1 217 . 1 . 1 22 22 LEU H H 1 7.707 0.002 . . . . . . A 20 LEU H . 34504 1 218 . 1 . 1 22 22 LEU HA H 1 3.892 0.002 . . . . . . A 20 LEU HA . 34504 1 219 . 1 . 1 22 22 LEU HB2 H 1 1.762 0.020 . . . . . . A 20 LEU HB2 . 34504 1 220 . 1 . 1 22 22 LEU HB3 H 1 1.448 0.008 . . . . . . A 20 LEU HB3 . 34504 1 221 . 1 . 1 22 22 LEU HG H 1 1.681 0.020 . . . . . . A 20 LEU HG . 34504 1 222 . 1 . 1 22 22 LEU HD11 H 1 0.941 0.003 . . . . . . A 20 LEU HD11 . 34504 1 223 . 1 . 1 22 22 LEU HD12 H 1 0.941 0.003 . . . . . . A 20 LEU HD12 . 34504 1 224 . 1 . 1 22 22 LEU HD13 H 1 0.941 0.003 . . . . . . A 20 LEU HD13 . 34504 1 225 . 1 . 1 22 22 LEU HD21 H 1 0.844 0.020 . . . . . . A 20 LEU HD21 . 34504 1 226 . 1 . 1 22 22 LEU HD22 H 1 0.844 0.020 . . . . . . A 20 LEU HD22 . 34504 1 227 . 1 . 1 22 22 LEU HD23 H 1 0.844 0.020 . . . . . . A 20 LEU HD23 . 34504 1 228 . 1 . 1 22 22 LEU CA C 13 57.700 0.200 . . . . . . A 20 LEU CA . 34504 1 229 . 1 . 1 22 22 LEU CB C 13 42.448 0.001 . . . . . . A 20 LEU CB . 34504 1 230 . 1 . 1 22 22 LEU CG C 13 26.840 0.200 . . . . . . A 20 LEU CG . 34504 1 231 . 1 . 1 22 22 LEU CD1 C 13 25.432 0.200 . . . . . . A 20 LEU CD1 . 34504 1 232 . 1 . 1 22 22 LEU CD2 C 13 22.371 0.200 . . . . . . A 20 LEU CD2 . 34504 1 233 . 1 . 1 22 22 LEU N N 15 126.325 0.003 . . . . . . A 20 LEU N . 34504 1 234 . 1 . 1 23 23 ASP H H 1 7.960 0.001 . . . . . . A 21 ASP H . 34504 1 235 . 1 . 1 23 23 ASP HA H 1 4.502 0.001 . . . . . . A 21 ASP HA . 34504 1 236 . 1 . 1 23 23 ASP HB2 H 1 2.985 0.020 . . . . . . A 21 ASP HB2 . 34504 1 237 . 1 . 1 23 23 ASP HB3 H 1 2.510 0.020 . . . . . . A 21 ASP HB3 . 34504 1 238 . 1 . 1 23 23 ASP CA C 13 52.848 0.200 . . . . . . A 21 ASP CA . 34504 1 239 . 1 . 1 23 23 ASP CB C 13 39.843 0.029 . . . . . . A 21 ASP CB . 34504 1 240 . 1 . 1 23 23 ASP N N 15 113.010 0.004 . . . . . . A 21 ASP N . 34504 1 241 . 1 . 1 24 24 GLY H H 1 7.467 0.001 . . . . . . A 22 GLY H . 34504 1 242 . 1 . 1 24 24 GLY HA2 H 1 3.801 0.020 . . . . . . A 22 GLY HA2 . 34504 1 243 . 1 . 1 24 24 GLY HA3 H 1 3.667 0.020 . . . . . . A 22 GLY HA3 . 34504 1 244 . 1 . 1 24 24 GLY CA C 13 47.340 0.001 . . . . . . A 22 GLY CA . 34504 1 245 . 1 . 1 24 24 GLY N N 15 108.823 0.006 . . . . . . A 22 GLY N . 34504 1 246 . 1 . 1 25 25 ASP H H 1 8.191 0.020 . . . . . . A 23 ASP H . 34504 1 247 . 1 . 1 25 25 ASP HA H 1 4.360 0.001 . . . . . . A 23 ASP HA . 34504 1 248 . 1 . 1 25 25 ASP HB2 H 1 2.880 0.020 . . . . . . A 23 ASP HB2 . 34504 1 249 . 1 . 1 25 25 ASP HB3 H 1 2.352 0.020 . . . . . . A 23 ASP HB3 . 34504 1 250 . 1 . 1 25 25 ASP CA C 13 53.739 0.038 . . . . . . A 23 ASP CA . 34504 1 251 . 1 . 1 25 25 ASP CB C 13 40.440 0.047 . . . . . . A 23 ASP CB . 34504 1 252 . 1 . 1 25 25 ASP N N 15 120.248 0.010 . . . . . . A 23 ASP N . 34504 1 253 . 1 . 1 26 26 GLY H H 1 10.425 0.013 . . . . . . A 24 GLY H . 34504 1 254 . 1 . 1 26 26 GLY HA2 H 1 4.061 0.020 . . . . . . A 24 GLY HA2 . 34504 1 255 . 1 . 1 26 26 GLY HA3 H 1 3.473 0.013 . . . . . . A 24 GLY HA3 . 34504 1 256 . 1 . 1 26 26 GLY CA C 13 45.994 0.025 . . . . . . A 24 GLY CA . 34504 1 257 . 1 . 1 26 26 GLY N N 15 113.032 0.030 . . . . . . A 24 GLY N . 34504 1 258 . 1 . 1 27 27 ARG H H 1 8.015 0.005 . . . . . . A 25 ARG H . 34504 1 259 . 1 . 1 27 27 ARG HA H 1 4.843 0.020 . . . . . . A 25 ARG HA . 34504 1 260 . 1 . 1 27 27 ARG HB2 H 1 1.601 0.003 . . . . . . A 25 ARG HB2 . 34504 1 261 . 1 . 1 27 27 ARG HB3 H 1 1.475 0.003 . . . . . . A 25 ARG HB3 . 34504 1 262 . 1 . 1 27 27 ARG HG2 H 1 1.285 0.005 . . . . . . A 25 ARG HG2 . 34504 1 263 . 1 . 1 27 27 ARG HG3 H 1 1.191 0.001 . . . . . . A 25 ARG HG3 . 34504 1 264 . 1 . 1 27 27 ARG HD2 H 1 2.391 0.020 . . . . . . A 25 ARG HD2 . 34504 1 265 . 1 . 1 27 27 ARG HD3 H 1 2.231 0.020 . . . . . . A 25 ARG HD3 . 34504 1 266 . 1 . 1 27 27 ARG CA C 13 53.722 0.079 . . . . . . A 25 ARG CA . 34504 1 267 . 1 . 1 27 27 ARG CB C 13 33.942 0.064 . . . . . . A 25 ARG CB . 34504 1 268 . 1 . 1 27 27 ARG CG C 13 25.825 0.066 . . . . . . A 25 ARG CG . 34504 1 269 . 1 . 1 27 27 ARG CD C 13 43.294 0.086 . . . . . . A 25 ARG CD . 34504 1 270 . 1 . 1 27 27 ARG N N 15 117.611 0.012 . . . . . . A 25 ARG N . 34504 1 271 . 1 . 1 28 28 ILE H H 1 9.633 0.001 . . . . . . A 26 ILE H . 34504 1 272 . 1 . 1 28 28 ILE HA H 1 4.934 0.020 . . . . . . A 26 ILE HA . 34504 1 273 . 1 . 1 28 28 ILE HB H 1 2.187 0.015 . . . . . . A 26 ILE HB . 34504 1 274 . 1 . 1 28 28 ILE HG12 H 1 1.021 0.020 . . . . . . A 26 ILE HG12 . 34504 1 275 . 1 . 1 28 28 ILE HG13 H 1 0.016 0.020 . . . . . . A 26 ILE HG13 . 34504 1 276 . 1 . 1 28 28 ILE HG21 H 1 0.768 0.020 . . . . . . A 26 ILE HG21 . 34504 1 277 . 1 . 1 28 28 ILE HG22 H 1 0.768 0.020 . . . . . . A 26 ILE HG22 . 34504 1 278 . 1 . 1 28 28 ILE HG23 H 1 0.768 0.020 . . . . . . A 26 ILE HG23 . 34504 1 279 . 1 . 1 28 28 ILE HD11 H 1 -0.501 0.020 . . . . . . A 26 ILE HD11 . 34504 1 280 . 1 . 1 28 28 ILE HD12 H 1 -0.501 0.020 . . . . . . A 26 ILE HD12 . 34504 1 281 . 1 . 1 28 28 ILE HD13 H 1 -0.501 0.020 . . . . . . A 26 ILE HD13 . 34504 1 282 . 1 . 1 28 28 ILE CA C 13 56.981 0.153 . . . . . . A 26 ILE CA . 34504 1 283 . 1 . 1 28 28 ILE CB C 13 35.953 0.057 . . . . . . A 26 ILE CB . 34504 1 284 . 1 . 1 28 28 ILE CG1 C 13 25.027 0.024 . . . . . . A 26 ILE CG1 . 34504 1 285 . 1 . 1 28 28 ILE CG2 C 13 16.928 0.015 . . . . . . A 26 ILE CG2 . 34504 1 286 . 1 . 1 28 28 ILE CD1 C 13 8.450 0.030 . . . . . . A 26 ILE CD1 . 34504 1 287 . 1 . 1 28 28 ILE N N 15 124.945 0.013 . . . . . . A 26 ILE N . 34504 1 288 . 1 . 1 29 29 SER H H 1 9.467 0.002 . . . . . . A 27 SER H . 34504 1 289 . 1 . 1 29 29 SER HA H 1 4.770 0.018 . . . . . . A 27 SER HA . 34504 1 290 . 1 . 1 29 29 SER HB2 H 1 4.126 0.003 . . . . . . A 27 SER HB2 . 34504 1 291 . 1 . 1 29 29 SER HB3 H 1 4.126 0.003 . . . . . . A 27 SER HB3 . 34504 1 292 . 1 . 1 29 29 SER CA C 13 57.009 0.046 . . . . . . A 27 SER CA . 34504 1 293 . 1 . 1 29 29 SER CB C 13 65.834 0.035 . . . . . . A 27 SER CB . 34504 1 294 . 1 . 1 29 29 SER N N 15 125.230 0.014 . . . . . . A 27 SER N . 34504 1 295 . 1 . 1 30 30 GLY H H 1 7.968 0.001 . . . . . . A 28 GLY H . 34504 1 296 . 1 . 1 30 30 GLY HA2 H 1 3.036 0.020 . . . . . . A 28 GLY HA2 . 34504 1 297 . 1 . 1 30 30 GLY HA3 H 1 2.369 0.020 . . . . . . A 28 GLY HA3 . 34504 1 298 . 1 . 1 30 30 GLY CA C 13 47.384 0.023 . . . . . . A 28 GLY CA . 34504 1 299 . 1 . 1 30 30 GLY N N 15 107.987 0.004 . . . . . . A 28 GLY N . 34504 1 300 . 1 . 1 31 31 ALA H H 1 8.099 0.001 . . . . . . A 29 ALA H . 34504 1 301 . 1 . 1 31 31 ALA HA H 1 3.938 0.010 . . . . . . A 29 ALA HA . 34504 1 302 . 1 . 1 31 31 ALA HB1 H 1 1.244 0.010 . . . . . . A 29 ALA HB1 . 34504 1 303 . 1 . 1 31 31 ALA HB2 H 1 1.244 0.010 . . . . . . A 29 ALA HB2 . 34504 1 304 . 1 . 1 31 31 ALA HB3 H 1 1.244 0.010 . . . . . . A 29 ALA HB3 . 34504 1 305 . 1 . 1 31 31 ALA CA C 13 54.765 0.007 . . . . . . A 29 ALA CA . 34504 1 306 . 1 . 1 31 31 ALA CB C 13 18.357 0.009 . . . . . . A 29 ALA CB . 34504 1 307 . 1 . 1 31 31 ALA N N 15 122.626 0.005 . . . . . . A 29 ALA N . 34504 1 308 . 1 . 1 32 32 GLU H H 1 7.850 0.001 . . . . . . A 30 GLU H . 34504 1 309 . 1 . 1 32 32 GLU HA H 1 3.907 0.003 . . . . . . A 30 GLU HA . 34504 1 310 . 1 . 1 32 32 GLU HB2 H 1 2.412 0.012 . . . . . . A 30 GLU HB2 . 34504 1 311 . 1 . 1 32 32 GLU HB3 H 1 2.108 0.005 . . . . . . A 30 GLU HB3 . 34504 1 312 . 1 . 1 32 32 GLU HG2 H 1 2.499 0.016 . . . . . . A 30 GLU HG2 . 34504 1 313 . 1 . 1 32 32 GLU HG3 H 1 2.185 0.004 . . . . . . A 30 GLU HG3 . 34504 1 314 . 1 . 1 32 32 GLU CA C 13 58.561 0.034 . . . . . . A 30 GLU CA . 34504 1 315 . 1 . 1 32 32 GLU CB C 13 29.361 0.092 . . . . . . A 30 GLU CB . 34504 1 316 . 1 . 1 32 32 GLU CG C 13 37.459 0.084 . . . . . . A 30 GLU CG . 34504 1 317 . 1 . 1 32 32 GLU N N 15 120.062 0.004 . . . . . . A 30 GLU N . 34504 1 318 . 1 . 1 33 33 ALA H H 1 8.756 0.002 . . . . . . A 31 ALA H . 34504 1 319 . 1 . 1 33 33 ALA HA H 1 3.672 0.010 . . . . . . A 31 ALA HA . 34504 1 320 . 1 . 1 33 33 ALA HB1 H 1 1.585 0.010 . . . . . . A 31 ALA HB1 . 34504 1 321 . 1 . 1 33 33 ALA HB2 H 1 1.585 0.010 . . . . . . A 31 ALA HB2 . 34504 1 322 . 1 . 1 33 33 ALA HB3 H 1 1.585 0.010 . . . . . . A 31 ALA HB3 . 34504 1 323 . 1 . 1 33 33 ALA CA C 13 55.785 0.020 . . . . . . A 31 ALA CA . 34504 1 324 . 1 . 1 33 33 ALA CB C 13 18.533 0.013 . . . . . . A 31 ALA CB . 34504 1 325 . 1 . 1 33 33 ALA N N 15 123.398 0.011 . . . . . . A 31 ALA N . 34504 1 326 . 1 . 1 34 34 VAL H H 1 7.995 0.020 . . . . . . A 32 VAL H . 34504 1 327 . 1 . 1 34 34 VAL HA H 1 3.590 0.020 . . . . . . A 32 VAL HA . 34504 1 328 . 1 . 1 34 34 VAL HB H 1 1.924 0.020 . . . . . . A 32 VAL HB . 34504 1 329 . 1 . 1 34 34 VAL HG11 H 1 0.828 0.020 . . . . . . A 32 VAL HG11 . 34504 1 330 . 1 . 1 34 34 VAL HG12 H 1 0.828 0.020 . . . . . . A 32 VAL HG12 . 34504 1 331 . 1 . 1 34 34 VAL HG13 H 1 0.828 0.020 . . . . . . A 32 VAL HG13 . 34504 1 332 . 1 . 1 34 34 VAL HG21 H 1 0.883 0.001 . . . . . . A 32 VAL HG21 . 34504 1 333 . 1 . 1 34 34 VAL HG22 H 1 0.883 0.001 . . . . . . A 32 VAL HG22 . 34504 1 334 . 1 . 1 34 34 VAL HG23 H 1 0.883 0.001 . . . . . . A 32 VAL HG23 . 34504 1 335 . 1 . 1 34 34 VAL CA C 13 66.707 0.200 . . . . . . A 32 VAL CA . 34504 1 336 . 1 . 1 34 34 VAL CB C 13 31.585 0.200 . . . . . . A 32 VAL CB . 34504 1 337 . 1 . 1 34 34 VAL CG1 C 13 21.002 0.200 . . . . . . A 32 VAL CG1 . 34504 1 338 . 1 . 1 34 34 VAL CG2 C 13 22.530 0.200 . . . . . . A 32 VAL CG2 . 34504 1 339 . 1 . 1 34 34 VAL N N 15 116.781 0.003 . . . . . . A 32 VAL N . 34504 1 340 . 1 . 1 35 35 GLY H H 1 7.619 0.001 . . . . . . A 33 GLY H . 34504 1 341 . 1 . 1 35 35 GLY HA2 H 1 3.893 0.020 . . . . . . A 33 GLY HA2 . 34504 1 342 . 1 . 1 35 35 GLY HA3 H 1 3.803 0.020 . . . . . . A 33 GLY HA3 . 34504 1 343 . 1 . 1 35 35 GLY CA C 13 46.892 0.007 . . . . . . A 33 GLY CA . 34504 1 344 . 1 . 1 35 35 GLY N N 15 104.854 0.004 . . . . . . A 33 GLY N . 34504 1 345 . 1 . 1 36 36 PHE H H 1 7.907 0.001 . . . . . . A 34 PHE H . 34504 1 346 . 1 . 1 36 36 PHE HA H 1 4.210 0.020 . . . . . . A 34 PHE HA . 34504 1 347 . 1 . 1 36 36 PHE HB2 H 1 3.280 0.020 . . . . . . A 34 PHE HB2 . 34504 1 348 . 1 . 1 36 36 PHE HB3 H 1 2.607 0.020 . . . . . . A 34 PHE HB3 . 34504 1 349 . 1 . 1 36 36 PHE HD1 H 1 6.674 0.020 . . . . . . A 34 PHE HD1 . 34504 1 350 . 1 . 1 36 36 PHE HD2 H 1 6.674 0.020 . . . . . . A 34 PHE HD2 . 34504 1 351 . 1 . 1 36 36 PHE HE1 H 1 6.840 0.001 . . . . . . A 34 PHE HE1 . 34504 1 352 . 1 . 1 36 36 PHE HE2 H 1 6.840 0.001 . . . . . . A 34 PHE HE2 . 34504 1 353 . 1 . 1 36 36 PHE HZ H 1 6.453 0.020 . . . . . . A 34 PHE HZ . 34504 1 354 . 1 . 1 36 36 PHE CA C 13 61.156 0.028 . . . . . . A 34 PHE CA . 34504 1 355 . 1 . 1 36 36 PHE CB C 13 39.840 0.017 . . . . . . A 34 PHE CB . 34504 1 356 . 1 . 1 36 36 PHE CD1 C 13 131.269 0.071 . . . . . . A 34 PHE CD1 . 34504 1 357 . 1 . 1 36 36 PHE CD2 C 13 131.269 0.071 . . . . . . A 34 PHE CD2 . 34504 1 358 . 1 . 1 36 36 PHE CE1 C 13 130.968 0.200 . . . . . . A 34 PHE CE1 . 34504 1 359 . 1 . 1 36 36 PHE CE2 C 13 130.968 0.200 . . . . . . A 34 PHE CE2 . 34504 1 360 . 1 . 1 36 36 PHE CZ C 13 128.993 0.200 . . . . . . A 34 PHE CZ . 34504 1 361 . 1 . 1 36 36 PHE N N 15 122.049 0.012 . . . . . . A 34 PHE N . 34504 1 362 . 1 . 1 37 37 PHE H H 1 8.878 0.011 . . . . . . A 35 PHE H . 34504 1 363 . 1 . 1 37 37 PHE HA H 1 4.251 0.001 . . . . . . A 35 PHE HA . 34504 1 364 . 1 . 1 37 37 PHE HB2 H 1 3.413 0.020 . . . . . . A 35 PHE HB2 . 34504 1 365 . 1 . 1 37 37 PHE HB3 H 1 3.130 0.020 . . . . . . A 35 PHE HB3 . 34504 1 366 . 1 . 1 37 37 PHE HD1 H 1 7.165 0.001 . . . . . . A 35 PHE HD1 . 34504 1 367 . 1 . 1 37 37 PHE HD2 H 1 7.165 0.001 . . . . . . A 35 PHE HD2 . 34504 1 368 . 1 . 1 37 37 PHE HE1 H 1 7.225 0.020 . . . . . . A 35 PHE HE1 . 34504 1 369 . 1 . 1 37 37 PHE HE2 H 1 7.225 0.020 . . . . . . A 35 PHE HE2 . 34504 1 370 . 1 . 1 37 37 PHE HZ H 1 7.317 0.020 . . . . . . A 35 PHE HZ . 34504 1 371 . 1 . 1 37 37 PHE CA C 13 58.013 0.200 . . . . . . A 35 PHE CA . 34504 1 372 . 1 . 1 37 37 PHE CB C 13 38.165 0.005 . . . . . . A 35 PHE CB . 34504 1 373 . 1 . 1 37 37 PHE CD1 C 13 130.677 0.185 . . . . . . A 35 PHE CD1 . 34504 1 374 . 1 . 1 37 37 PHE CD2 C 13 130.677 0.185 . . . . . . A 35 PHE CD2 . 34504 1 375 . 1 . 1 37 37 PHE CE1 C 13 130.585 0.005 . . . . . . A 35 PHE CE1 . 34504 1 376 . 1 . 1 37 37 PHE CE2 C 13 130.585 0.005 . . . . . . A 35 PHE CE2 . 34504 1 377 . 1 . 1 37 37 PHE CZ C 13 130.232 0.200 . . . . . . A 35 PHE CZ . 34504 1 378 . 1 . 1 37 37 PHE N N 15 113.243 0.004 . . . . . . A 35 PHE N . 34504 1 379 . 1 . 1 38 38 GLN H H 1 7.631 0.002 . . . . . . A 36 GLN H . 34504 1 380 . 1 . 1 38 38 GLN HA H 1 4.214 0.001 . . . . . . A 36 GLN HA . 34504 1 381 . 1 . 1 38 38 GLN HB2 H 1 2.181 0.001 . . . . . . A 36 GLN HB2 . 34504 1 382 . 1 . 1 38 38 GLN HB3 H 1 2.100 0.020 . . . . . . A 36 GLN HB3 . 34504 1 383 . 1 . 1 38 38 GLN HG2 H 1 2.570 0.020 . . . . . . A 36 GLN HG2 . 34504 1 384 . 1 . 1 38 38 GLN HG3 H 1 2.535 0.001 . . . . . . A 36 GLN HG3 . 34504 1 385 . 1 . 1 38 38 GLN HE21 H 1 7.441 0.020 . . . . . . A 36 GLN HE21 . 34504 1 386 . 1 . 1 38 38 GLN HE22 H 1 6.822 0.001 . . . . . . A 36 GLN HE22 . 34504 1 387 . 1 . 1 38 38 GLN CA C 13 58.952 0.006 . . . . . . A 36 GLN CA . 34504 1 388 . 1 . 1 38 38 GLN CB C 13 28.059 0.017 . . . . . . A 36 GLN CB . 34504 1 389 . 1 . 1 38 38 GLN CG C 13 33.589 0.029 . . . . . . A 36 GLN CG . 34504 1 390 . 1 . 1 38 38 GLN N N 15 123.561 0.005 . . . . . . A 36 GLN N . 34504 1 391 . 1 . 1 38 38 GLN NE2 N 15 112.290 0.200 . . . . . . A 36 GLN NE2 . 34504 1 392 . 1 . 1 39 39 GLY H H 1 7.709 0.001 . . . . . . A 37 GLY H . 34504 1 393 . 1 . 1 39 39 GLY HA2 H 1 4.363 0.020 . . . . . . A 37 GLY HA2 . 34504 1 394 . 1 . 1 39 39 GLY HA3 H 1 3.750 0.020 . . . . . . A 37 GLY HA3 . 34504 1 395 . 1 . 1 39 39 GLY CA C 13 45.784 0.007 . . . . . . A 37 GLY CA . 34504 1 396 . 1 . 1 39 39 GLY N N 15 104.200 0.006 . . . . . . A 37 GLY N . 34504 1 397 . 1 . 1 40 40 SER H H 1 8.044 0.001 . . . . . . A 38 SER H . 34504 1 398 . 1 . 1 40 40 SER HA H 1 4.269 0.011 . . . . . . A 38 SER HA . 34504 1 399 . 1 . 1 40 40 SER HB2 H 1 3.847 0.014 . . . . . . A 38 SER HB2 . 34504 1 400 . 1 . 1 40 40 SER HB3 H 1 3.671 0.015 . . . . . . A 38 SER HB3 . 34504 1 401 . 1 . 1 40 40 SER CA C 13 59.969 0.029 . . . . . . A 38 SER CA . 34504 1 402 . 1 . 1 40 40 SER CB C 13 65.940 0.013 . . . . . . A 38 SER CB . 34504 1 403 . 1 . 1 40 40 SER N N 15 114.659 0.008 . . . . . . A 38 SER N . 34504 1 404 . 1 . 1 41 41 GLY H H 1 7.911 0.003 . . . . . . A 39 GLY H . 34504 1 405 . 1 . 1 41 41 GLY HA2 H 1 4.084 0.020 . . . . . . A 39 GLY HA2 . 34504 1 406 . 1 . 1 41 41 GLY HA3 H 1 3.806 0.020 . . . . . . A 39 GLY HA3 . 34504 1 407 . 1 . 1 41 41 GLY CA C 13 46.142 0.004 . . . . . . A 39 GLY CA . 34504 1 408 . 1 . 1 41 41 GLY N N 15 111.308 0.010 . . . . . . A 39 GLY N . 34504 1 409 . 1 . 1 42 42 LEU H H 1 7.232 0.001 . . . . . . A 40 LEU H . 34504 1 410 . 1 . 1 42 42 LEU HA H 1 4.521 0.020 . . . . . . A 40 LEU HA . 34504 1 411 . 1 . 1 42 42 LEU HB2 H 1 1.583 0.020 . . . . . . A 40 LEU HB2 . 34504 1 412 . 1 . 1 42 42 LEU HB3 H 1 1.228 0.020 . . . . . . A 40 LEU HB3 . 34504 1 413 . 1 . 1 42 42 LEU HG H 1 1.517 0.020 . . . . . . A 40 LEU HG . 34504 1 414 . 1 . 1 42 42 LEU HD11 H 1 0.814 0.020 . . . . . . A 40 LEU HD11 . 34504 1 415 . 1 . 1 42 42 LEU HD12 H 1 0.814 0.020 . . . . . . A 40 LEU HD12 . 34504 1 416 . 1 . 1 42 42 LEU HD13 H 1 0.814 0.020 . . . . . . A 40 LEU HD13 . 34504 1 417 . 1 . 1 42 42 LEU HD21 H 1 0.748 0.020 . . . . . . A 40 LEU HD21 . 34504 1 418 . 1 . 1 42 42 LEU HD22 H 1 0.748 0.020 . . . . . . A 40 LEU HD22 . 34504 1 419 . 1 . 1 42 42 LEU HD23 H 1 0.748 0.020 . . . . . . A 40 LEU HD23 . 34504 1 420 . 1 . 1 42 42 LEU CA C 13 53.404 0.200 . . . . . . A 40 LEU CA . 34504 1 421 . 1 . 1 42 42 LEU CB C 13 43.480 0.001 . . . . . . A 40 LEU CB . 34504 1 422 . 1 . 1 42 42 LEU CG C 13 26.667 0.200 . . . . . . A 40 LEU CG . 34504 1 423 . 1 . 1 42 42 LEU CD1 C 13 27.719 0.200 . . . . . . A 40 LEU CD1 . 34504 1 424 . 1 . 1 42 42 LEU CD2 C 13 22.617 0.200 . . . . . . A 40 LEU CD2 . 34504 1 425 . 1 . 1 42 42 LEU N N 15 118.977 0.002 . . . . . . A 40 LEU N . 34504 1 426 . 1 . 1 43 43 SER H H 1 8.406 0.001 . . . . . . A 41 SER H . 34504 1 427 . 1 . 1 43 43 SER HA H 1 4.311 0.007 . . . . . . A 41 SER HA . 34504 1 428 . 1 . 1 43 43 SER HB2 H 1 4.327 0.012 . . . . . . A 41 SER HB2 . 34504 1 429 . 1 . 1 43 43 SER HB3 H 1 3.998 0.010 . . . . . . A 41 SER HB3 . 34504 1 430 . 1 . 1 43 43 SER CA C 13 57.273 0.011 . . . . . . A 41 SER CA . 34504 1 431 . 1 . 1 43 43 SER CB C 13 64.964 0.024 . . . . . . A 41 SER CB . 34504 1 432 . 1 . 1 43 43 SER N N 15 115.975 0.010 . . . . . . A 41 SER N . 34504 1 433 . 1 . 1 44 44 LYS H H 1 8.773 0.002 . . . . . . A 42 LYS H . 34504 1 434 . 1 . 1 44 44 LYS HA H 1 3.849 0.003 . . . . . . A 42 LYS HA . 34504 1 435 . 1 . 1 44 44 LYS HB2 H 1 1.829 0.017 . . . . . . A 42 LYS HB2 . 34504 1 436 . 1 . 1 44 44 LYS HB3 H 1 1.763 0.010 . . . . . . A 42 LYS HB3 . 34504 1 437 . 1 . 1 44 44 LYS HG2 H 1 1.517 0.020 . . . . . . A 42 LYS HG2 . 34504 1 438 . 1 . 1 44 44 LYS HG3 H 1 1.403 0.003 . . . . . . A 42 LYS HG3 . 34504 1 439 . 1 . 1 44 44 LYS HD2 H 1 1.628 0.001 . . . . . . A 42 LYS HD2 . 34504 1 440 . 1 . 1 44 44 LYS HD3 H 1 1.628 0.001 . . . . . . A 42 LYS HD3 . 34504 1 441 . 1 . 1 44 44 LYS HE2 H 1 2.926 0.020 . . . . . . A 42 LYS HE2 . 34504 1 442 . 1 . 1 44 44 LYS HE3 H 1 2.926 0.020 . . . . . . A 42 LYS HE3 . 34504 1 443 . 1 . 1 44 44 LYS CA C 13 59.782 0.022 . . . . . . A 42 LYS CA . 34504 1 444 . 1 . 1 44 44 LYS CB C 13 32.179 0.031 . . . . . . A 42 LYS CB . 34504 1 445 . 1 . 1 44 44 LYS CG C 13 25.077 0.034 . . . . . . A 42 LYS CG . 34504 1 446 . 1 . 1 44 44 LYS CD C 13 29.227 0.040 . . . . . . A 42 LYS CD . 34504 1 447 . 1 . 1 44 44 LYS CE C 13 42.066 0.076 . . . . . . A 42 LYS CE . 34504 1 448 . 1 . 1 44 44 LYS N N 15 121.041 0.010 . . . . . . A 42 LYS N . 34504 1 449 . 1 . 1 45 45 GLN H H 1 8.520 0.002 . . . . . . A 43 GLN H . 34504 1 450 . 1 . 1 45 45 GLN HA H 1 4.050 0.002 . . . . . . A 43 GLN HA . 34504 1 451 . 1 . 1 45 45 GLN HB2 H 1 2.061 0.001 . . . . . . A 43 GLN HB2 . 34504 1 452 . 1 . 1 45 45 GLN HB3 H 1 1.938 0.001 . . . . . . A 43 GLN HB3 . 34504 1 453 . 1 . 1 45 45 GLN HG2 H 1 2.443 0.009 . . . . . . A 43 GLN HG2 . 34504 1 454 . 1 . 1 45 45 GLN HG3 H 1 2.383 0.010 . . . . . . A 43 GLN HG3 . 34504 1 455 . 1 . 1 45 45 GLN HE21 H 1 7.475 0.020 . . . . . . A 43 GLN HE21 . 34504 1 456 . 1 . 1 45 45 GLN HE22 H 1 6.825 0.020 . . . . . . A 43 GLN HE22 . 34504 1 457 . 1 . 1 45 45 GLN CA C 13 59.512 0.017 . . . . . . A 43 GLN CA . 34504 1 458 . 1 . 1 45 45 GLN CB C 13 28.012 0.008 . . . . . . A 43 GLN CB . 34504 1 459 . 1 . 1 45 45 GLN CG C 13 33.981 0.049 . . . . . . A 43 GLN CG . 34504 1 460 . 1 . 1 45 45 GLN N N 15 118.323 0.010 . . . . . . A 43 GLN N . 34504 1 461 . 1 . 1 45 45 GLN NE2 N 15 111.844 0.017 . . . . . . A 43 GLN NE2 . 34504 1 462 . 1 . 1 46 46 VAL H H 1 7.535 0.001 . . . . . . A 44 VAL H . 34504 1 463 . 1 . 1 46 46 VAL HA H 1 3.814 0.020 . . . . . . A 44 VAL HA . 34504 1 464 . 1 . 1 46 46 VAL HB H 1 2.024 0.020 . . . . . . A 44 VAL HB . 34504 1 465 . 1 . 1 46 46 VAL HG11 H 1 0.886 0.020 . . . . . . A 44 VAL HG11 . 34504 1 466 . 1 . 1 46 46 VAL HG12 H 1 0.886 0.020 . . . . . . A 44 VAL HG12 . 34504 1 467 . 1 . 1 46 46 VAL HG13 H 1 0.886 0.020 . . . . . . A 44 VAL HG13 . 34504 1 468 . 1 . 1 46 46 VAL HG21 H 1 0.973 0.020 . . . . . . A 44 VAL HG21 . 34504 1 469 . 1 . 1 46 46 VAL HG22 H 1 0.973 0.020 . . . . . . A 44 VAL HG22 . 34504 1 470 . 1 . 1 46 46 VAL HG23 H 1 0.973 0.020 . . . . . . A 44 VAL HG23 . 34504 1 471 . 1 . 1 46 46 VAL CA C 13 66.101 0.200 . . . . . . A 44 VAL CA . 34504 1 472 . 1 . 1 46 46 VAL CB C 13 31.390 0.200 . . . . . . A 44 VAL CB . 34504 1 473 . 1 . 1 46 46 VAL CG1 C 13 22.153 0.200 . . . . . . A 44 VAL CG1 . 34504 1 474 . 1 . 1 46 46 VAL CG2 C 13 23.581 0.200 . . . . . . A 44 VAL CG2 . 34504 1 475 . 1 . 1 46 46 VAL N N 15 122.791 0.013 . . . . . . A 44 VAL N . 34504 1 476 . 1 . 1 47 47 LEU H H 1 8.252 0.001 . . . . . . A 45 LEU H . 34504 1 477 . 1 . 1 47 47 LEU HA H 1 3.787 0.020 . . . . . . A 45 LEU HA . 34504 1 478 . 1 . 1 47 47 LEU HB2 H 1 1.845 0.015 . . . . . . A 45 LEU HB2 . 34504 1 479 . 1 . 1 47 47 LEU HB3 H 1 1.299 0.020 . . . . . . A 45 LEU HB3 . 34504 1 480 . 1 . 1 47 47 LEU HG H 1 1.626 0.020 . . . . . . A 45 LEU HG . 34504 1 481 . 1 . 1 47 47 LEU HD11 H 1 0.709 0.020 . . . . . . A 45 LEU HD11 . 34504 1 482 . 1 . 1 47 47 LEU HD12 H 1 0.709 0.020 . . . . . . A 45 LEU HD12 . 34504 1 483 . 1 . 1 47 47 LEU HD13 H 1 0.709 0.020 . . . . . . A 45 LEU HD13 . 34504 1 484 . 1 . 1 47 47 LEU HD21 H 1 0.577 0.020 . . . . . . A 45 LEU HD21 . 34504 1 485 . 1 . 1 47 47 LEU HD22 H 1 0.577 0.020 . . . . . . A 45 LEU HD22 . 34504 1 486 . 1 . 1 47 47 LEU HD23 H 1 0.577 0.020 . . . . . . A 45 LEU HD23 . 34504 1 487 . 1 . 1 47 47 LEU CA C 13 58.249 0.030 . . . . . . A 45 LEU CA . 34504 1 488 . 1 . 1 47 47 LEU CB C 13 41.282 0.037 . . . . . . A 45 LEU CB . 34504 1 489 . 1 . 1 47 47 LEU CG C 13 26.411 0.099 . . . . . . A 45 LEU CG . 34504 1 490 . 1 . 1 47 47 LEU CD1 C 13 25.589 0.062 . . . . . . A 45 LEU CD1 . 34504 1 491 . 1 . 1 47 47 LEU CD2 C 13 23.000 0.030 . . . . . . A 45 LEU CD2 . 34504 1 492 . 1 . 1 47 47 LEU N N 15 119.948 0.003 . . . . . . A 45 LEU N . 34504 1 493 . 1 . 1 48 48 ALA H H 1 8.130 0.001 . . . . . . A 46 ALA H . 34504 1 494 . 1 . 1 48 48 ALA HA H 1 4.250 0.020 . . . . . . A 46 ALA HA . 34504 1 495 . 1 . 1 48 48 ALA HB1 H 1 1.478 0.020 . . . . . . A 46 ALA HB1 . 34504 1 496 . 1 . 1 48 48 ALA HB2 H 1 1.478 0.020 . . . . . . A 46 ALA HB2 . 34504 1 497 . 1 . 1 48 48 ALA HB3 H 1 1.478 0.020 . . . . . . A 46 ALA HB3 . 34504 1 498 . 1 . 1 48 48 ALA CA C 13 55.051 0.200 . . . . . . A 46 ALA CA . 34504 1 499 . 1 . 1 48 48 ALA CB C 13 17.746 0.200 . . . . . . A 46 ALA CB . 34504 1 500 . 1 . 1 48 48 ALA N N 15 122.588 0.015 . . . . . . A 46 ALA N . 34504 1 501 . 1 . 1 49 49 GLN H H 1 7.684 0.001 . . . . . . A 47 GLN H . 34504 1 502 . 1 . 1 49 49 GLN HA H 1 4.076 0.002 . . . . . . A 47 GLN HA . 34504 1 503 . 1 . 1 49 49 GLN HB2 H 1 2.336 0.002 . . . . . . A 47 GLN HB2 . 34504 1 504 . 1 . 1 49 49 GLN HB3 H 1 2.140 0.001 . . . . . . A 47 GLN HB3 . 34504 1 505 . 1 . 1 49 49 GLN HG2 H 1 2.464 0.002 . . . . . . A 47 GLN HG2 . 34504 1 506 . 1 . 1 49 49 GLN HG3 H 1 2.135 0.003 . . . . . . A 47 GLN HG3 . 34504 1 507 . 1 . 1 49 49 GLN HE21 H 1 7.215 0.001 . . . . . . A 47 GLN HE21 . 34504 1 508 . 1 . 1 49 49 GLN HE22 H 1 6.651 0.002 . . . . . . A 47 GLN HE22 . 34504 1 509 . 1 . 1 49 49 GLN CA C 13 58.903 0.200 . . . . . . A 47 GLN CA . 34504 1 510 . 1 . 1 49 49 GLN CB C 13 28.075 0.042 . . . . . . A 47 GLN CB . 34504 1 511 . 1 . 1 49 49 GLN CG C 13 33.307 0.012 . . . . . . A 47 GLN CG . 34504 1 512 . 1 . 1 49 49 GLN N N 15 121.358 0.004 . . . . . . A 47 GLN N . 34504 1 513 . 1 . 1 49 49 GLN NE2 N 15 110.197 0.010 . . . . . . A 47 GLN NE2 . 34504 1 514 . 1 . 1 50 50 ILE H H 1 8.582 0.020 . . . . . . A 48 ILE H . 34504 1 515 . 1 . 1 50 50 ILE HA H 1 3.314 0.001 . . . . . . A 48 ILE HA . 34504 1 516 . 1 . 1 50 50 ILE HB H 1 1.757 0.020 . . . . . . A 48 ILE HB . 34504 1 517 . 1 . 1 50 50 ILE HG12 H 1 1.764 0.003 . . . . . . A 48 ILE HG12 . 34504 1 518 . 1 . 1 50 50 ILE HG13 H 1 0.594 0.020 . . . . . . A 48 ILE HG13 . 34504 1 519 . 1 . 1 50 50 ILE HG21 H 1 0.667 0.001 . . . . . . A 48 ILE HG21 . 34504 1 520 . 1 . 1 50 50 ILE HG22 H 1 0.667 0.001 . . . . . . A 48 ILE HG22 . 34504 1 521 . 1 . 1 50 50 ILE HG23 H 1 0.667 0.001 . . . . . . A 48 ILE HG23 . 34504 1 522 . 1 . 1 50 50 ILE HD11 H 1 0.434 0.002 . . . . . . A 48 ILE HD11 . 34504 1 523 . 1 . 1 50 50 ILE HD12 H 1 0.434 0.002 . . . . . . A 48 ILE HD12 . 34504 1 524 . 1 . 1 50 50 ILE HD13 H 1 0.434 0.002 . . . . . . A 48 ILE HD13 . 34504 1 525 . 1 . 1 50 50 ILE CA C 13 66.692 0.176 . . . . . . A 48 ILE CA . 34504 1 526 . 1 . 1 50 50 ILE CB C 13 37.950 0.032 . . . . . . A 48 ILE CB . 34504 1 527 . 1 . 1 50 50 ILE CG1 C 13 30.740 0.041 . . . . . . A 48 ILE CG1 . 34504 1 528 . 1 . 1 50 50 ILE CG2 C 13 16.787 0.011 . . . . . . A 48 ILE CG2 . 34504 1 529 . 1 . 1 50 50 ILE CD1 C 13 14.203 0.007 . . . . . . A 48 ILE CD1 . 34504 1 530 . 1 . 1 50 50 ILE N N 15 120.090 0.003 . . . . . . A 48 ILE N . 34504 1 531 . 1 . 1 51 51 TRP H H 1 8.557 0.001 . . . . . . A 49 TRP H . 34504 1 532 . 1 . 1 51 51 TRP HA H 1 4.042 0.020 . . . . . . A 49 TRP HA . 34504 1 533 . 1 . 1 51 51 TRP HB2 H 1 3.372 0.012 . . . . . . A 49 TRP HB2 . 34504 1 534 . 1 . 1 51 51 TRP HB3 H 1 3.372 0.012 . . . . . . A 49 TRP HB3 . 34504 1 535 . 1 . 1 51 51 TRP HD1 H 1 7.139 0.020 . . . . . . A 49 TRP HD1 . 34504 1 536 . 1 . 1 51 51 TRP HE1 H 1 10.144 0.018 . . . . . . A 49 TRP HE1 . 34504 1 537 . 1 . 1 51 51 TRP HE3 H 1 7.376 0.020 . . . . . . A 49 TRP HE3 . 34504 1 538 . 1 . 1 51 51 TRP HZ2 H 1 6.950 0.006 . . . . . . A 49 TRP HZ2 . 34504 1 539 . 1 . 1 51 51 TRP HZ3 H 1 6.732 0.007 . . . . . . A 49 TRP HZ3 . 34504 1 540 . 1 . 1 51 51 TRP HH2 H 1 6.947 0.006 . . . . . . A 49 TRP HH2 . 34504 1 541 . 1 . 1 51 51 TRP CA C 13 61.495 0.019 . . . . . . A 49 TRP CA . 34504 1 542 . 1 . 1 51 51 TRP CB C 13 28.492 0.064 . . . . . . A 49 TRP CB . 34504 1 543 . 1 . 1 51 51 TRP CD1 C 13 127.410 0.032 . . . . . . A 49 TRP CD1 . 34504 1 544 . 1 . 1 51 51 TRP CE3 C 13 118.613 0.059 . . . . . . A 49 TRP CE3 . 34504 1 545 . 1 . 1 51 51 TRP CZ2 C 13 114.039 0.035 . . . . . . A 49 TRP CZ2 . 34504 1 546 . 1 . 1 51 51 TRP CZ3 C 13 122.574 0.016 . . . . . . A 49 TRP CZ3 . 34504 1 547 . 1 . 1 51 51 TRP CH2 C 13 124.125 0.200 . . . . . . A 49 TRP CH2 . 34504 1 548 . 1 . 1 51 51 TRP N N 15 122.597 0.018 . . . . . . A 49 TRP N . 34504 1 549 . 1 . 1 51 51 TRP NE1 N 15 129.839 0.005 . . . . . . A 49 TRP NE1 . 34504 1 550 . 1 . 1 52 52 SER H H 1 8.054 0.020 . . . . . . A 50 SER H . 34504 1 551 . 1 . 1 52 52 SER HA H 1 4.025 0.011 . . . . . . A 50 SER HA . 34504 1 552 . 1 . 1 52 52 SER HB2 H 1 4.001 0.007 . . . . . . A 50 SER HB2 . 34504 1 553 . 1 . 1 52 52 SER HB3 H 1 4.001 0.007 . . . . . . A 50 SER HB3 . 34504 1 554 . 1 . 1 52 52 SER CA C 13 61.800 0.098 . . . . . . A 50 SER CA . 34504 1 555 . 1 . 1 52 52 SER CB C 13 63.053 0.067 . . . . . . A 50 SER CB . 34504 1 556 . 1 . 1 52 52 SER N N 15 113.274 0.004 . . . . . . A 50 SER N . 34504 1 557 . 1 . 1 53 53 LEU H H 1 8.000 0.001 . . . . . . A 51 LEU H . 34504 1 558 . 1 . 1 53 53 LEU HA H 1 3.946 0.020 . . . . . . A 51 LEU HA . 34504 1 559 . 1 . 1 53 53 LEU HB2 H 1 1.670 0.015 . . . . . . A 51 LEU HB2 . 34504 1 560 . 1 . 1 53 53 LEU HB3 H 1 1.134 0.020 . . . . . . A 51 LEU HB3 . 34504 1 561 . 1 . 1 53 53 LEU HG H 1 1.784 0.020 . . . . . . A 51 LEU HG . 34504 1 562 . 1 . 1 53 53 LEU HD11 H 1 0.722 0.021 . . . . . . A 51 LEU HD11 . 34504 1 563 . 1 . 1 53 53 LEU HD12 H 1 0.722 0.021 . . . . . . A 51 LEU HD12 . 34504 1 564 . 1 . 1 53 53 LEU HD13 H 1 0.722 0.021 . . . . . . A 51 LEU HD13 . 34504 1 565 . 1 . 1 53 53 LEU HD21 H 1 0.810 0.020 . . . . . . A 51 LEU HD21 . 34504 1 566 . 1 . 1 53 53 LEU HD22 H 1 0.810 0.020 . . . . . . A 51 LEU HD22 . 34504 1 567 . 1 . 1 53 53 LEU HD23 H 1 0.810 0.020 . . . . . . A 51 LEU HD23 . 34504 1 568 . 1 . 1 53 53 LEU CA C 13 56.365 0.200 . . . . . . A 51 LEU CA . 34504 1 569 . 1 . 1 53 53 LEU CB C 13 43.462 0.007 . . . . . . A 51 LEU CB . 34504 1 570 . 1 . 1 53 53 LEU CG C 13 26.799 0.105 . . . . . . A 51 LEU CG . 34504 1 571 . 1 . 1 53 53 LEU CD1 C 13 26.806 0.074 . . . . . . A 51 LEU CD1 . 34504 1 572 . 1 . 1 53 53 LEU CD2 C 13 22.655 0.200 . . . . . . A 51 LEU CD2 . 34504 1 573 . 1 . 1 53 53 LEU N N 15 118.837 0.003 . . . . . . A 51 LEU N . 34504 1 574 . 1 . 1 54 54 SER H H 1 7.444 0.004 . . . . . . A 52 SER H . 34504 1 575 . 1 . 1 54 54 SER HA H 1 4.278 0.001 . . . . . . A 52 SER HA . 34504 1 576 . 1 . 1 54 54 SER HB2 H 1 3.574 0.020 . . . . . . A 52 SER HB2 . 34504 1 577 . 1 . 1 54 54 SER HB3 H 1 3.466 0.020 . . . . . . A 52 SER HB3 . 34504 1 578 . 1 . 1 54 54 SER CA C 13 60.475 0.021 . . . . . . A 52 SER CA . 34504 1 579 . 1 . 1 54 54 SER CB C 13 63.422 0.040 . . . . . . A 52 SER CB . 34504 1 580 . 1 . 1 54 54 SER N N 15 113.755 0.026 . . . . . . A 52 SER N . 34504 1 581 . 1 . 1 55 55 ASP H H 1 7.492 0.001 . . . . . . A 53 ASP H . 34504 1 582 . 1 . 1 55 55 ASP HA H 1 4.435 0.020 . . . . . . A 53 ASP HA . 34504 1 583 . 1 . 1 55 55 ASP HB2 H 1 2.067 0.003 . . . . . . A 53 ASP HB2 . 34504 1 584 . 1 . 1 55 55 ASP HB3 H 1 1.187 0.020 . . . . . . A 53 ASP HB3 . 34504 1 585 . 1 . 1 55 55 ASP CA C 13 51.733 0.011 . . . . . . A 53 ASP CA . 34504 1 586 . 1 . 1 55 55 ASP CB C 13 37.544 0.036 . . . . . . A 53 ASP CB . 34504 1 587 . 1 . 1 55 55 ASP N N 15 121.136 0.014 . . . . . . A 53 ASP N . 34504 1 588 . 1 . 1 56 56 ARG H H 1 7.673 0.001 . . . . . . A 54 ARG H . 34504 1 589 . 1 . 1 56 56 ARG HA H 1 3.775 0.007 . . . . . . A 54 ARG HA . 34504 1 590 . 1 . 1 56 56 ARG HB2 H 1 1.740 0.020 . . . . . . A 54 ARG HB2 . 34504 1 591 . 1 . 1 56 56 ARG HB3 H 1 1.700 0.020 . . . . . . A 54 ARG HB3 . 34504 1 592 . 1 . 1 56 56 ARG HG2 H 1 1.580 0.020 . . . . . . A 54 ARG HG2 . 34504 1 593 . 1 . 1 56 56 ARG HG3 H 1 1.514 0.006 . . . . . . A 54 ARG HG3 . 34504 1 594 . 1 . 1 56 56 ARG HD2 H 1 3.144 0.020 . . . . . . A 54 ARG HD2 . 34504 1 595 . 1 . 1 56 56 ARG HD3 H 1 3.144 0.020 . . . . . . A 54 ARG HD3 . 34504 1 596 . 1 . 1 56 56 ARG CA C 13 58.628 0.200 . . . . . . A 54 ARG CA . 34504 1 597 . 1 . 1 56 56 ARG CB C 13 30.165 0.014 . . . . . . A 54 ARG CB . 34504 1 598 . 1 . 1 56 56 ARG CG C 13 27.258 0.021 . . . . . . A 54 ARG CG . 34504 1 599 . 1 . 1 56 56 ARG CD C 13 43.291 0.200 . . . . . . A 54 ARG CD . 34504 1 600 . 1 . 1 56 56 ARG N N 15 122.778 0.007 . . . . . . A 54 ARG N . 34504 1 601 . 1 . 1 57 57 SER H H 1 8.278 0.002 . . . . . . A 55 SER H . 34504 1 602 . 1 . 1 57 57 SER HA H 1 4.354 0.020 . . . . . . A 55 SER HA . 34504 1 603 . 1 . 1 57 57 SER HB2 H 1 3.963 0.020 . . . . . . A 55 SER HB2 . 34504 1 604 . 1 . 1 57 57 SER HB3 H 1 3.833 0.020 . . . . . . A 55 SER HB3 . 34504 1 605 . 1 . 1 57 57 SER CA C 13 57.988 0.200 . . . . . . A 55 SER CA . 34504 1 606 . 1 . 1 57 57 SER CB C 13 63.662 0.019 . . . . . . A 55 SER CB . 34504 1 607 . 1 . 1 57 57 SER N N 15 111.597 0.015 . . . . . . A 55 SER N . 34504 1 608 . 1 . 1 58 58 HIS H H 1 7.723 0.001 . . . . . . A 56 HIS H . 34504 1 609 . 1 . 1 58 58 HIS HA H 1 4.088 0.001 . . . . . . A 56 HIS HA . 34504 1 610 . 1 . 1 58 58 HIS HB2 H 1 3.371 0.020 . . . . . . A 56 HIS HB2 . 34504 1 611 . 1 . 1 58 58 HIS HB3 H 1 3.315 0.020 . . . . . . A 56 HIS HB3 . 34504 1 612 . 1 . 1 58 58 HIS HD2 H 1 7.155 0.020 . . . . . . A 56 HIS HD2 . 34504 1 613 . 1 . 1 58 58 HIS HE1 H 1 8.382 0.020 . . . . . . A 56 HIS HE1 . 34504 1 614 . 1 . 1 58 58 HIS CA C 13 56.642 0.200 . . . . . . A 56 HIS CA . 34504 1 615 . 1 . 1 58 58 HIS CB C 13 26.057 0.005 . . . . . . A 56 HIS CB . 34504 1 616 . 1 . 1 58 58 HIS CD2 C 13 119.900 0.200 . . . . . . A 56 HIS CD2 . 34504 1 617 . 1 . 1 58 58 HIS CE1 C 13 136.409 0.200 . . . . . . A 56 HIS CE1 . 34504 1 618 . 1 . 1 58 58 HIS N N 15 118.273 0.014 . . . . . . A 56 HIS N . 34504 1 619 . 1 . 1 59 59 SER H H 1 9.391 0.001 . . . . . . A 57 SER H . 34504 1 620 . 1 . 1 59 59 SER HA H 1 4.414 0.012 . . . . . . A 57 SER HA . 34504 1 621 . 1 . 1 59 59 SER HB2 H 1 3.879 0.013 . . . . . . A 57 SER HB2 . 34504 1 622 . 1 . 1 59 59 SER HB3 H 1 3.720 0.012 . . . . . . A 57 SER HB3 . 34504 1 623 . 1 . 1 59 59 SER CA C 13 59.883 0.019 . . . . . . A 57 SER CA . 34504 1 624 . 1 . 1 59 59 SER CB C 13 65.183 0.013 . . . . . . A 57 SER CB . 34504 1 625 . 1 . 1 59 59 SER N N 15 117.119 0.012 . . . . . . A 57 SER N . 34504 1 626 . 1 . 1 60 60 GLY H H 1 10.383 0.001 . . . . . . A 58 GLY H . 34504 1 627 . 1 . 1 60 60 GLY HA2 H 1 4.221 0.020 . . . . . . A 58 GLY HA2 . 34504 1 628 . 1 . 1 60 60 GLY HA3 H 1 3.692 0.020 . . . . . . A 58 GLY HA3 . 34504 1 629 . 1 . 1 60 60 GLY CA C 13 45.335 0.017 . . . . . . A 58 GLY CA . 34504 1 630 . 1 . 1 60 60 GLY N N 15 113.761 0.004 . . . . . . A 58 GLY N . 34504 1 631 . 1 . 1 61 61 PHE H H 1 7.756 0.001 . . . . . . A 59 PHE H . 34504 1 632 . 1 . 1 61 61 PHE HA H 1 5.364 0.001 . . . . . . A 59 PHE HA . 34504 1 633 . 1 . 1 61 61 PHE HB2 H 1 2.697 0.020 . . . . . . A 59 PHE HB2 . 34504 1 634 . 1 . 1 61 61 PHE HB3 H 1 2.637 0.020 . . . . . . A 59 PHE HB3 . 34504 1 635 . 1 . 1 61 61 PHE HD1 H 1 6.835 0.020 . . . . . . A 59 PHE HD1 . 34504 1 636 . 1 . 1 61 61 PHE HD2 H 1 6.835 0.020 . . . . . . A 59 PHE HD2 . 34504 1 637 . 1 . 1 61 61 PHE HE1 H 1 7.264 0.002 . . . . . . A 59 PHE HE1 . 34504 1 638 . 1 . 1 61 61 PHE HE2 H 1 7.264 0.002 . . . . . . A 59 PHE HE2 . 34504 1 639 . 1 . 1 61 61 PHE HZ H 1 7.261 0.020 . . . . . . A 59 PHE HZ . 34504 1 640 . 1 . 1 61 61 PHE CA C 13 56.275 0.200 . . . . . . A 59 PHE CA . 34504 1 641 . 1 . 1 61 61 PHE CB C 13 43.751 0.002 . . . . . . A 59 PHE CB . 34504 1 642 . 1 . 1 61 61 PHE CD1 C 13 132.228 0.200 . . . . . . A 59 PHE CD1 . 34504 1 643 . 1 . 1 61 61 PHE CD2 C 13 132.228 0.200 . . . . . . A 59 PHE CD2 . 34504 1 644 . 1 . 1 61 61 PHE CE1 C 13 131.208 0.200 . . . . . . A 59 PHE CE1 . 34504 1 645 . 1 . 1 61 61 PHE CE2 C 13 131.208 0.200 . . . . . . A 59 PHE CE2 . 34504 1 646 . 1 . 1 61 61 PHE CZ C 13 129.900 0.200 . . . . . . A 59 PHE CZ . 34504 1 647 . 1 . 1 61 61 PHE N N 15 115.965 0.009 . . . . . . A 59 PHE N . 34504 1 648 . 1 . 1 62 62 LEU H H 1 9.549 0.002 . . . . . . A 60 LEU H . 34504 1 649 . 1 . 1 62 62 LEU HA H 1 4.719 0.015 . . . . . . A 60 LEU HA . 34504 1 650 . 1 . 1 62 62 LEU HB2 H 1 2.011 0.009 . . . . . . A 60 LEU HB2 . 34504 1 651 . 1 . 1 62 62 LEU HB3 H 1 1.491 0.014 . . . . . . A 60 LEU HB3 . 34504 1 652 . 1 . 1 62 62 LEU HG H 1 1.726 0.014 . . . . . . A 60 LEU HG . 34504 1 653 . 1 . 1 62 62 LEU HD11 H 1 0.974 0.013 . . . . . . A 60 LEU HD11 . 34504 1 654 . 1 . 1 62 62 LEU HD12 H 1 0.974 0.013 . . . . . . A 60 LEU HD12 . 34504 1 655 . 1 . 1 62 62 LEU HD13 H 1 0.974 0.013 . . . . . . A 60 LEU HD13 . 34504 1 656 . 1 . 1 62 62 LEU HD21 H 1 0.057 0.012 . . . . . . A 60 LEU HD21 . 34504 1 657 . 1 . 1 62 62 LEU HD22 H 1 0.057 0.012 . . . . . . A 60 LEU HD22 . 34504 1 658 . 1 . 1 62 62 LEU HD23 H 1 0.057 0.012 . . . . . . A 60 LEU HD23 . 34504 1 659 . 1 . 1 62 62 LEU CA C 13 53.310 0.039 . . . . . . A 60 LEU CA . 34504 1 660 . 1 . 1 62 62 LEU CB C 13 43.526 0.042 . . . . . . A 60 LEU CB . 34504 1 661 . 1 . 1 62 62 LEU CG C 13 26.059 0.021 . . . . . . A 60 LEU CG . 34504 1 662 . 1 . 1 62 62 LEU CD1 C 13 26.743 0.053 . . . . . . A 60 LEU CD1 . 34504 1 663 . 1 . 1 62 62 LEU CD2 C 13 21.868 0.006 . . . . . . A 60 LEU CD2 . 34504 1 664 . 1 . 1 62 62 LEU N N 15 118.901 0.009 . . . . . . A 60 LEU N . 34504 1 665 . 1 . 1 63 63 ASP H H 1 7.990 0.001 . . . . . . A 61 ASP H . 34504 1 666 . 1 . 1 63 63 ASP HA H 1 4.769 0.020 . . . . . . A 61 ASP HA . 34504 1 667 . 1 . 1 63 63 ASP HB2 H 1 3.177 0.020 . . . . . . A 61 ASP HB2 . 34504 1 668 . 1 . 1 63 63 ASP HB3 H 1 2.734 0.020 . . . . . . A 61 ASP HB3 . 34504 1 669 . 1 . 1 63 63 ASP CA C 13 51.943 0.012 . . . . . . A 61 ASP CA . 34504 1 670 . 1 . 1 63 63 ASP CB C 13 40.597 0.040 . . . . . . A 61 ASP CB . 34504 1 671 . 1 . 1 63 63 ASP N N 15 122.434 0.025 . . . . . . A 61 ASP N . 34504 1 672 . 1 . 1 64 64 ARG H H 1 8.213 0.002 . . . . . . A 62 ARG H . 34504 1 673 . 1 . 1 64 64 ARG HA H 1 3.122 0.005 . . . . . . A 62 ARG HA . 34504 1 674 . 1 . 1 64 64 ARG HB2 H 1 1.126 0.006 . . . . . . A 62 ARG HB2 . 34504 1 675 . 1 . 1 64 64 ARG HB3 H 1 1.022 0.003 . . . . . . A 62 ARG HB3 . 34504 1 676 . 1 . 1 64 64 ARG HG2 H 1 0.380 0.005 . . . . . . A 62 ARG HG2 . 34504 1 677 . 1 . 1 64 64 ARG HG3 H 1 -0.005 0.001 . . . . . . A 62 ARG HG3 . 34504 1 678 . 1 . 1 64 64 ARG HD2 H 1 2.759 0.020 . . . . . . A 62 ARG HD2 . 34504 1 679 . 1 . 1 64 64 ARG HD3 H 1 2.721 0.014 . . . . . . A 62 ARG HD3 . 34504 1 680 . 1 . 1 64 64 ARG HE H 1 7.842 0.001 . . . . . . A 62 ARG HE . 34504 1 681 . 1 . 1 64 64 ARG CA C 13 60.960 0.054 . . . . . . A 62 ARG CA . 34504 1 682 . 1 . 1 64 64 ARG CB C 13 30.165 0.095 . . . . . . A 62 ARG CB . 34504 1 683 . 1 . 1 64 64 ARG CG C 13 28.077 0.081 . . . . . . A 62 ARG CG . 34504 1 684 . 1 . 1 64 64 ARG CD C 13 42.826 0.055 . . . . . . A 62 ARG CD . 34504 1 685 . 1 . 1 64 64 ARG N N 15 117.894 0.007 . . . . . . A 62 ARG N . 34504 1 686 . 1 . 1 64 64 ARG NE N 15 86.170 0.001 . . . . . . A 62 ARG NE . 34504 1 687 . 1 . 1 65 65 GLN H H 1 7.858 0.003 . . . . . . A 63 GLN H . 34504 1 688 . 1 . 1 65 65 GLN HA H 1 3.588 0.001 . . . . . . A 63 GLN HA . 34504 1 689 . 1 . 1 65 65 GLN HB2 H 1 1.936 0.008 . . . . . . A 63 GLN HB2 . 34504 1 690 . 1 . 1 65 65 GLN HB3 H 1 1.936 0.008 . . . . . . A 63 GLN HB3 . 34504 1 691 . 1 . 1 65 65 GLN HG2 H 1 2.271 0.004 . . . . . . A 63 GLN HG2 . 34504 1 692 . 1 . 1 65 65 GLN HG3 H 1 2.271 0.004 . . . . . . A 63 GLN HG3 . 34504 1 693 . 1 . 1 65 65 GLN HE21 H 1 7.443 0.020 . . . . . . A 63 GLN HE21 . 34504 1 694 . 1 . 1 65 65 GLN HE22 H 1 6.823 0.020 . . . . . . A 63 GLN HE22 . 34504 1 695 . 1 . 1 65 65 GLN CA C 13 59.051 0.014 . . . . . . A 63 GLN CA . 34504 1 696 . 1 . 1 65 65 GLN CB C 13 27.785 0.007 . . . . . . A 63 GLN CB . 34504 1 697 . 1 . 1 65 65 GLN CG C 13 33.651 0.015 . . . . . . A 63 GLN CG . 34504 1 698 . 1 . 1 65 65 GLN N N 15 114.684 0.005 . . . . . . A 63 GLN N . 34504 1 699 . 1 . 1 65 65 GLN NE2 N 15 112.489 0.007 . . . . . . A 63 GLN NE2 . 34504 1 700 . 1 . 1 66 66 ASN H H 1 8.653 0.020 . . . . . . A 64 ASN H . 34504 1 701 . 1 . 1 66 66 ASN HA H 1 4.692 0.001 . . . . . . A 64 ASN HA . 34504 1 702 . 1 . 1 66 66 ASN HB2 H 1 2.891 0.020 . . . . . . A 64 ASN HB2 . 34504 1 703 . 1 . 1 66 66 ASN HB3 H 1 2.792 0.020 . . . . . . A 64 ASN HB3 . 34504 1 704 . 1 . 1 66 66 ASN HD21 H 1 8.284 0.002 . . . . . . A 64 ASN HD21 . 34504 1 705 . 1 . 1 66 66 ASN HD22 H 1 7.005 0.002 . . . . . . A 64 ASN HD22 . 34504 1 706 . 1 . 1 66 66 ASN CA C 13 56.415 0.200 . . . . . . A 64 ASN CA . 34504 1 707 . 1 . 1 66 66 ASN CB C 13 38.661 0.022 . . . . . . A 64 ASN CB . 34504 1 708 . 1 . 1 66 66 ASN N N 15 117.766 0.002 . . . . . . A 64 ASN N . 34504 1 709 . 1 . 1 66 66 ASN ND2 N 15 114.972 0.010 . . . . . . A 64 ASN ND2 . 34504 1 710 . 1 . 1 67 67 PHE H H 1 9.292 0.003 . . . . . . A 65 PHE H . 34504 1 711 . 1 . 1 67 67 PHE HA H 1 4.596 0.002 . . . . . . A 65 PHE HA . 34504 1 712 . 1 . 1 67 67 PHE HB2 H 1 3.222 0.020 . . . . . . A 65 PHE HB2 . 34504 1 713 . 1 . 1 67 67 PHE HB3 H 1 3.149 0.020 . . . . . . A 65 PHE HB3 . 34504 1 714 . 1 . 1 67 67 PHE HD1 H 1 7.316 0.001 . . . . . . A 65 PHE HD1 . 34504 1 715 . 1 . 1 67 67 PHE HD2 H 1 7.316 0.001 . . . . . . A 65 PHE HD2 . 34504 1 716 . 1 . 1 67 67 PHE HE1 H 1 6.924 0.020 . . . . . . A 65 PHE HE1 . 34504 1 717 . 1 . 1 67 67 PHE HE2 H 1 6.924 0.020 . . . . . . A 65 PHE HE2 . 34504 1 718 . 1 . 1 67 67 PHE HZ H 1 6.314 0.020 . . . . . . A 65 PHE HZ . 34504 1 719 . 1 . 1 67 67 PHE CA C 13 61.387 0.018 . . . . . . A 65 PHE CA . 34504 1 720 . 1 . 1 67 67 PHE CB C 13 38.793 0.057 . . . . . . A 65 PHE CB . 34504 1 721 . 1 . 1 67 67 PHE CD1 C 13 132.116 0.047 . . . . . . A 65 PHE CD1 . 34504 1 722 . 1 . 1 67 67 PHE CD2 C 13 132.116 0.047 . . . . . . A 65 PHE CD2 . 34504 1 723 . 1 . 1 67 67 PHE CE1 C 13 130.746 0.200 . . . . . . A 65 PHE CE1 . 34504 1 724 . 1 . 1 67 67 PHE CE2 C 13 130.746 0.200 . . . . . . A 65 PHE CE2 . 34504 1 725 . 1 . 1 67 67 PHE CZ C 13 129.724 0.200 . . . . . . A 65 PHE CZ . 34504 1 726 . 1 . 1 67 67 PHE N N 15 123.127 0.006 . . . . . . A 65 PHE N . 34504 1 727 . 1 . 1 68 68 TYR H H 1 9.332 0.014 . . . . . . A 66 TYR H . 34504 1 728 . 1 . 1 68 68 TYR HA H 1 4.418 0.002 . . . . . . A 66 TYR HA . 34504 1 729 . 1 . 1 68 68 TYR HB2 H 1 3.349 0.020 . . . . . . A 66 TYR HB2 . 34504 1 730 . 1 . 1 68 68 TYR HB3 H 1 2.847 0.020 . . . . . . A 66 TYR HB3 . 34504 1 731 . 1 . 1 68 68 TYR HD1 H 1 6.975 0.002 . . . . . . A 66 TYR HD1 . 34504 1 732 . 1 . 1 68 68 TYR HD2 H 1 6.975 0.002 . . . . . . A 66 TYR HD2 . 34504 1 733 . 1 . 1 68 68 TYR HE1 H 1 6.705 0.008 . . . . . . A 66 TYR HE1 . 34504 1 734 . 1 . 1 68 68 TYR HE2 H 1 6.705 0.008 . . . . . . A 66 TYR HE2 . 34504 1 735 . 1 . 1 68 68 TYR CA C 13 58.856 0.200 . . . . . . A 66 TYR CA . 34504 1 736 . 1 . 1 68 68 TYR CB C 13 35.311 0.006 . . . . . . A 66 TYR CB . 34504 1 737 . 1 . 1 68 68 TYR CD1 C 13 130.911 0.200 . . . . . . A 66 TYR CD1 . 34504 1 738 . 1 . 1 68 68 TYR CD2 C 13 130.911 0.200 . . . . . . A 66 TYR CD2 . 34504 1 739 . 1 . 1 68 68 TYR CE1 C 13 118.006 0.065 . . . . . . A 66 TYR CE1 . 34504 1 740 . 1 . 1 68 68 TYR CE2 C 13 118.006 0.065 . . . . . . A 66 TYR CE2 . 34504 1 741 . 1 . 1 68 68 TYR N N 15 121.990 0.011 . . . . . . A 66 TYR N . 34504 1 742 . 1 . 1 69 69 ASN H H 1 7.783 0.004 . . . . . . A 67 ASN H . 34504 1 743 . 1 . 1 69 69 ASN HA H 1 4.437 0.002 . . . . . . A 67 ASN HA . 34504 1 744 . 1 . 1 69 69 ASN HB2 H 1 3.296 0.020 . . . . . . A 67 ASN HB2 . 34504 1 745 . 1 . 1 69 69 ASN HB3 H 1 2.700 0.020 . . . . . . A 67 ASN HB3 . 34504 1 746 . 1 . 1 69 69 ASN HD21 H 1 7.866 0.001 . . . . . . A 67 ASN HD21 . 34504 1 747 . 1 . 1 69 69 ASN HD22 H 1 7.087 0.005 . . . . . . A 67 ASN HD22 . 34504 1 748 . 1 . 1 69 69 ASN CA C 13 56.014 0.005 . . . . . . A 67 ASN CA . 34504 1 749 . 1 . 1 69 69 ASN CB C 13 37.273 0.011 . . . . . . A 67 ASN CB . 34504 1 750 . 1 . 1 69 69 ASN N N 15 117.384 0.009 . . . . . . A 67 ASN N . 34504 1 751 . 1 . 1 69 69 ASN ND2 N 15 110.656 0.011 . . . . . . A 67 ASN ND2 . 34504 1 752 . 1 . 1 70 70 SER H H 1 8.266 0.002 . . . . . . A 68 SER H . 34504 1 753 . 1 . 1 70 70 SER HA H 1 3.882 0.008 . . . . . . A 68 SER HA . 34504 1 754 . 1 . 1 70 70 SER HB2 H 1 3.938 0.015 . . . . . . A 68 SER HB2 . 34504 1 755 . 1 . 1 70 70 SER HB3 H 1 3.738 0.011 . . . . . . A 68 SER HB3 . 34504 1 756 . 1 . 1 70 70 SER CA C 13 62.977 0.089 . . . . . . A 68 SER CA . 34504 1 757 . 1 . 1 70 70 SER CB C 13 63.050 0.043 . . . . . . A 68 SER CB . 34504 1 758 . 1 . 1 70 70 SER N N 15 119.857 0.007 . . . . . . A 68 SER N . 34504 1 759 . 1 . 1 71 71 LEU H H 1 7.839 0.003 . . . . . . A 69 LEU H . 34504 1 760 . 1 . 1 71 71 LEU HA H 1 3.791 0.020 . . . . . . A 69 LEU HA . 34504 1 761 . 1 . 1 71 71 LEU HB2 H 1 2.426 0.022 . . . . . . A 69 LEU HB2 . 34504 1 762 . 1 . 1 71 71 LEU HB3 H 1 0.880 0.020 . . . . . . A 69 LEU HB3 . 34504 1 763 . 1 . 1 71 71 LEU HG H 1 1.288 0.020 . . . . . . A 69 LEU HG . 34504 1 764 . 1 . 1 71 71 LEU HD11 H 1 1.034 0.020 . . . . . . A 69 LEU HD11 . 34504 1 765 . 1 . 1 71 71 LEU HD12 H 1 1.034 0.020 . . . . . . A 69 LEU HD12 . 34504 1 766 . 1 . 1 71 71 LEU HD13 H 1 1.034 0.020 . . . . . . A 69 LEU HD13 . 34504 1 767 . 1 . 1 71 71 LEU HD21 H 1 0.759 0.020 . . . . . . A 69 LEU HD21 . 34504 1 768 . 1 . 1 71 71 LEU HD22 H 1 0.759 0.020 . . . . . . A 69 LEU HD22 . 34504 1 769 . 1 . 1 71 71 LEU HD23 H 1 0.759 0.020 . . . . . . A 69 LEU HD23 . 34504 1 770 . 1 . 1 71 71 LEU CA C 13 57.642 0.052 . . . . . . A 69 LEU CA . 34504 1 771 . 1 . 1 71 71 LEU CB C 13 41.508 0.076 . . . . . . A 69 LEU CB . 34504 1 772 . 1 . 1 71 71 LEU CG C 13 25.910 0.112 . . . . . . A 69 LEU CG . 34504 1 773 . 1 . 1 71 71 LEU CD1 C 13 29.117 0.018 . . . . . . A 69 LEU CD1 . 34504 1 774 . 1 . 1 71 71 LEU CD2 C 13 23.274 0.023 . . . . . . A 69 LEU CD2 . 34504 1 775 . 1 . 1 71 71 LEU N N 15 120.291 0.009 . . . . . . A 69 LEU N . 34504 1 776 . 1 . 1 72 72 ARG H H 1 7.840 0.002 . . . . . . A 70 ARG H . 34504 1 777 . 1 . 1 72 72 ARG HA H 1 3.975 0.005 . . . . . . A 70 ARG HA . 34504 1 778 . 1 . 1 72 72 ARG HB2 H 1 2.147 0.020 . . . . . . A 70 ARG HB2 . 34504 1 779 . 1 . 1 72 72 ARG HB3 H 1 2.147 0.020 . . . . . . A 70 ARG HB3 . 34504 1 780 . 1 . 1 72 72 ARG HG2 H 1 1.616 0.008 . . . . . . A 70 ARG HG2 . 34504 1 781 . 1 . 1 72 72 ARG HG3 H 1 1.508 0.009 . . . . . . A 70 ARG HG3 . 34504 1 782 . 1 . 1 72 72 ARG HD2 H 1 3.321 0.003 . . . . . . A 70 ARG HD2 . 34504 1 783 . 1 . 1 72 72 ARG HD3 H 1 3.186 0.009 . . . . . . A 70 ARG HD3 . 34504 1 784 . 1 . 1 72 72 ARG HE H 1 7.115 0.001 . . . . . . A 70 ARG HE . 34504 1 785 . 1 . 1 72 72 ARG CA C 13 60.345 0.039 . . . . . . A 70 ARG CA . 34504 1 786 . 1 . 1 72 72 ARG CB C 13 30.313 0.149 . . . . . . A 70 ARG CB . 34504 1 787 . 1 . 1 72 72 ARG CG C 13 30.295 0.142 . . . . . . A 70 ARG CG . 34504 1 788 . 1 . 1 72 72 ARG CD C 13 43.630 0.013 . . . . . . A 70 ARG CD . 34504 1 789 . 1 . 1 72 72 ARG N N 15 117.984 0.012 . . . . . . A 70 ARG N . 34504 1 790 . 1 . 1 72 72 ARG NE N 15 85.930 0.002 . . . . . . A 70 ARG NE . 34504 1 791 . 1 . 1 73 73 LEU H H 1 7.815 0.001 . . . . . . A 71 LEU H . 34504 1 792 . 1 . 1 73 73 LEU HA H 1 3.844 0.020 . . . . . . A 71 LEU HA . 34504 1 793 . 1 . 1 73 73 LEU HB2 H 1 2.081 0.014 . . . . . . A 71 LEU HB2 . 34504 1 794 . 1 . 1 73 73 LEU HB3 H 1 1.081 0.020 . . . . . . A 71 LEU HB3 . 34504 1 795 . 1 . 1 73 73 LEU HG H 1 1.911 0.020 . . . . . . A 71 LEU HG . 34504 1 796 . 1 . 1 73 73 LEU HD11 H 1 0.754 0.020 . . . . . . A 71 LEU HD11 . 34504 1 797 . 1 . 1 73 73 LEU HD12 H 1 0.754 0.020 . . . . . . A 71 LEU HD12 . 34504 1 798 . 1 . 1 73 73 LEU HD13 H 1 0.754 0.020 . . . . . . A 71 LEU HD13 . 34504 1 799 . 1 . 1 73 73 LEU HD21 H 1 0.659 0.020 . . . . . . A 71 LEU HD21 . 34504 1 800 . 1 . 1 73 73 LEU HD22 H 1 0.659 0.020 . . . . . . A 71 LEU HD22 . 34504 1 801 . 1 . 1 73 73 LEU HD23 H 1 0.659 0.020 . . . . . . A 71 LEU HD23 . 34504 1 802 . 1 . 1 73 73 LEU CA C 13 57.615 0.020 . . . . . . A 71 LEU CA . 34504 1 803 . 1 . 1 73 73 LEU CB C 13 41.622 0.032 . . . . . . A 71 LEU CB . 34504 1 804 . 1 . 1 73 73 LEU CG C 13 26.362 0.037 . . . . . . A 71 LEU CG . 34504 1 805 . 1 . 1 73 73 LEU CD1 C 13 26.898 0.095 . . . . . . A 71 LEU CD1 . 34504 1 806 . 1 . 1 73 73 LEU CD2 C 13 22.415 0.026 . . . . . . A 71 LEU CD2 . 34504 1 807 . 1 . 1 73 73 LEU N N 15 115.828 0.010 . . . . . . A 71 LEU N . 34504 1 808 . 1 . 1 74 74 VAL H H 1 8.163 0.003 . . . . . . A 72 VAL H . 34504 1 809 . 1 . 1 74 74 VAL HA H 1 3.321 0.020 . . . . . . A 72 VAL HA . 34504 1 810 . 1 . 1 74 74 VAL HB H 1 2.235 0.020 . . . . . . A 72 VAL HB . 34504 1 811 . 1 . 1 74 74 VAL HG11 H 1 0.675 0.001 . . . . . . A 72 VAL HG11 . 34504 1 812 . 1 . 1 74 74 VAL HG12 H 1 0.675 0.001 . . . . . . A 72 VAL HG12 . 34504 1 813 . 1 . 1 74 74 VAL HG13 H 1 0.675 0.001 . . . . . . A 72 VAL HG13 . 34504 1 814 . 1 . 1 74 74 VAL HG21 H 1 0.527 0.020 . . . . . . A 72 VAL HG21 . 34504 1 815 . 1 . 1 74 74 VAL HG22 H 1 0.527 0.020 . . . . . . A 72 VAL HG22 . 34504 1 816 . 1 . 1 74 74 VAL HG23 H 1 0.527 0.020 . . . . . . A 72 VAL HG23 . 34504 1 817 . 1 . 1 74 74 VAL CA C 13 66.938 0.082 . . . . . . A 72 VAL CA . 34504 1 818 . 1 . 1 74 74 VAL CB C 13 30.428 0.049 . . . . . . A 72 VAL CB . 34504 1 819 . 1 . 1 74 74 VAL CG1 C 13 22.473 0.013 . . . . . . A 72 VAL CG1 . 34504 1 820 . 1 . 1 74 74 VAL CG2 C 13 22.979 0.007 . . . . . . A 72 VAL CG2 . 34504 1 821 . 1 . 1 74 74 VAL N N 15 120.425 0.012 . . . . . . A 72 VAL N . 34504 1 822 . 1 . 1 75 75 THR H H 1 8.365 0.001 . . . . . . A 73 THR H . 34504 1 823 . 1 . 1 75 75 THR HA H 1 4.310 0.011 . . . . . . A 73 THR HA . 34504 1 824 . 1 . 1 75 75 THR HB H 1 3.695 0.013 . . . . . . A 73 THR HB . 34504 1 825 . 1 . 1 75 75 THR HG21 H 1 1.108 0.011 . . . . . . A 73 THR HG21 . 34504 1 826 . 1 . 1 75 75 THR HG22 H 1 1.108 0.011 . . . . . . A 73 THR HG22 . 34504 1 827 . 1 . 1 75 75 THR HG23 H 1 1.108 0.011 . . . . . . A 73 THR HG23 . 34504 1 828 . 1 . 1 75 75 THR CA C 13 67.510 0.100 . . . . . . A 73 THR CA . 34504 1 829 . 1 . 1 75 75 THR CB C 13 67.589 0.119 . . . . . . A 73 THR CB . 34504 1 830 . 1 . 1 75 75 THR CG2 C 13 23.300 0.011 . . . . . . A 73 THR CG2 . 34504 1 831 . 1 . 1 75 75 THR N N 15 119.741 0.006 . . . . . . A 73 THR N . 34504 1 832 . 1 . 1 76 76 VAL H H 1 8.029 0.001 . . . . . . A 74 VAL H . 34504 1 833 . 1 . 1 76 76 VAL HA H 1 3.478 0.020 . . . . . . A 74 VAL HA . 34504 1 834 . 1 . 1 76 76 VAL HB H 1 2.037 0.020 . . . . . . A 74 VAL HB . 34504 1 835 . 1 . 1 76 76 VAL HG11 H 1 0.643 0.003 . . . . . . A 74 VAL HG11 . 34504 1 836 . 1 . 1 76 76 VAL HG12 H 1 0.643 0.003 . . . . . . A 74 VAL HG12 . 34504 1 837 . 1 . 1 76 76 VAL HG13 H 1 0.643 0.003 . . . . . . A 74 VAL HG13 . 34504 1 838 . 1 . 1 76 76 VAL HG21 H 1 0.929 0.001 . . . . . . A 74 VAL HG21 . 34504 1 839 . 1 . 1 76 76 VAL HG22 H 1 0.929 0.001 . . . . . . A 74 VAL HG22 . 34504 1 840 . 1 . 1 76 76 VAL HG23 H 1 0.929 0.001 . . . . . . A 74 VAL HG23 . 34504 1 841 . 1 . 1 76 76 VAL CA C 13 66.942 0.057 . . . . . . A 74 VAL CA . 34504 1 842 . 1 . 1 76 76 VAL CB C 13 31.558 0.051 . . . . . . A 74 VAL CB . 34504 1 843 . 1 . 1 76 76 VAL CG1 C 13 22.140 0.029 . . . . . . A 74 VAL CG1 . 34504 1 844 . 1 . 1 76 76 VAL CG2 C 13 22.029 0.100 . . . . . . A 74 VAL CG2 . 34504 1 845 . 1 . 1 76 76 VAL N N 15 122.340 0.022 . . . . . . A 74 VAL N . 34504 1 846 . 1 . 1 77 77 ALA H H 1 8.825 0.020 . . . . . . A 75 ALA H . 34504 1 847 . 1 . 1 77 77 ALA HA H 1 4.288 0.010 . . . . . . A 75 ALA HA . 34504 1 848 . 1 . 1 77 77 ALA HB1 H 1 1.449 0.009 . . . . . . A 75 ALA HB1 . 34504 1 849 . 1 . 1 77 77 ALA HB2 H 1 1.449 0.009 . . . . . . A 75 ALA HB2 . 34504 1 850 . 1 . 1 77 77 ALA HB3 H 1 1.449 0.009 . . . . . . A 75 ALA HB3 . 34504 1 851 . 1 . 1 77 77 ALA CA C 13 55.319 0.016 . . . . . . A 75 ALA CA . 34504 1 852 . 1 . 1 77 77 ALA CB C 13 19.106 0.007 . . . . . . A 75 ALA CB . 34504 1 853 . 1 . 1 77 77 ALA N N 15 125.017 0.005 . . . . . . A 75 ALA N . 34504 1 854 . 1 . 1 78 78 GLN H H 1 9.088 0.001 . . . . . . A 76 GLN H . 34504 1 855 . 1 . 1 78 78 GLN HA H 1 4.011 0.003 . . . . . . A 76 GLN HA . 34504 1 856 . 1 . 1 78 78 GLN HB2 H 1 2.458 0.003 . . . . . . A 76 GLN HB2 . 34504 1 857 . 1 . 1 78 78 GLN HB3 H 1 1.960 0.004 . . . . . . A 76 GLN HB3 . 34504 1 858 . 1 . 1 78 78 GLN HG2 H 1 2.886 0.006 . . . . . . A 76 GLN HG2 . 34504 1 859 . 1 . 1 78 78 GLN HG3 H 1 2.327 0.002 . . . . . . A 76 GLN HG3 . 34504 1 860 . 1 . 1 78 78 GLN HE21 H 1 8.119 0.020 . . . . . . A 76 GLN HE21 . 34504 1 861 . 1 . 1 78 78 GLN HE22 H 1 7.701 0.005 . . . . . . A 76 GLN HE22 . 34504 1 862 . 1 . 1 78 78 GLN CA C 13 58.922 0.034 . . . . . . A 76 GLN CA . 34504 1 863 . 1 . 1 78 78 GLN CB C 13 27.986 0.015 . . . . . . A 76 GLN CB . 34504 1 864 . 1 . 1 78 78 GLN CG C 13 35.599 0.024 . . . . . . A 76 GLN CG . 34504 1 865 . 1 . 1 78 78 GLN N N 15 120.059 0.005 . . . . . . A 76 GLN N . 34504 1 866 . 1 . 1 78 78 GLN NE2 N 15 112.766 0.027 . . . . . . A 76 GLN NE2 . 34504 1 867 . 1 . 1 79 79 SER H H 1 7.817 0.001 . . . . . . A 77 SER H . 34504 1 868 . 1 . 1 79 79 SER HA H 1 4.515 0.005 . . . . . . A 77 SER HA . 34504 1 869 . 1 . 1 79 79 SER HB2 H 1 4.134 0.012 . . . . . . A 77 SER HB2 . 34504 1 870 . 1 . 1 79 79 SER HB3 H 1 3.950 0.011 . . . . . . A 77 SER HB3 . 34504 1 871 . 1 . 1 79 79 SER CA C 13 59.154 0.014 . . . . . . A 77 SER CA . 34504 1 872 . 1 . 1 79 79 SER CB C 13 63.702 0.029 . . . . . . A 77 SER CB . 34504 1 873 . 1 . 1 79 79 SER N N 15 115.471 0.023 . . . . . . A 77 SER N . 34504 1 874 . 1 . 1 80 80 LYS H H 1 8.054 0.004 . . . . . . A 78 LYS H . 34504 1 875 . 1 . 1 80 80 LYS HA H 1 3.836 0.020 . . . . . . A 78 LYS HA . 34504 1 876 . 1 . 1 80 80 LYS HB2 H 1 2.141 0.020 . . . . . . A 78 LYS HB2 . 34504 1 877 . 1 . 1 80 80 LYS HB3 H 1 1.922 0.020 . . . . . . A 78 LYS HB3 . 34504 1 878 . 1 . 1 80 80 LYS HG2 H 1 1.337 0.019 . . . . . . A 78 LYS HG2 . 34504 1 879 . 1 . 1 80 80 LYS HG3 H 1 1.304 0.003 . . . . . . A 78 LYS HG3 . 34504 1 880 . 1 . 1 80 80 LYS HD2 H 1 1.638 0.011 . . . . . . A 78 LYS HD2 . 34504 1 881 . 1 . 1 80 80 LYS HD3 H 1 1.638 0.011 . . . . . . A 78 LYS HD3 . 34504 1 882 . 1 . 1 80 80 LYS HE2 H 1 2.963 0.010 . . . . . . A 78 LYS HE2 . 34504 1 883 . 1 . 1 80 80 LYS HE3 H 1 2.963 0.010 . . . . . . A 78 LYS HE3 . 34504 1 884 . 1 . 1 80 80 LYS CA C 13 57.256 0.200 . . . . . . A 78 LYS CA . 34504 1 885 . 1 . 1 80 80 LYS CB C 13 28.528 0.074 . . . . . . A 78 LYS CB . 34504 1 886 . 1 . 1 80 80 LYS CG C 13 24.983 0.060 . . . . . . A 78 LYS CG . 34504 1 887 . 1 . 1 80 80 LYS CD C 13 28.845 0.033 . . . . . . A 78 LYS CD . 34504 1 888 . 1 . 1 80 80 LYS CE C 13 42.279 0.052 . . . . . . A 78 LYS CE . 34504 1 889 . 1 . 1 80 80 LYS N N 15 115.389 0.035 . . . . . . A 78 LYS N . 34504 1 890 . 1 . 1 81 81 ARG H H 1 6.869 0.003 . . . . . . A 79 ARG H . 34504 1 891 . 1 . 1 81 81 ARG HA H 1 4.356 0.002 . . . . . . A 79 ARG HA . 34504 1 892 . 1 . 1 81 81 ARG HB2 H 1 1.619 0.001 . . . . . . A 79 ARG HB2 . 34504 1 893 . 1 . 1 81 81 ARG HB3 H 1 1.455 0.020 . . . . . . A 79 ARG HB3 . 34504 1 894 . 1 . 1 81 81 ARG HG2 H 1 1.601 0.020 . . . . . . A 79 ARG HG2 . 34504 1 895 . 1 . 1 81 81 ARG HG3 H 1 1.539 0.020 . . . . . . A 79 ARG HG3 . 34504 1 896 . 1 . 1 81 81 ARG HD2 H 1 3.087 0.001 . . . . . . A 79 ARG HD2 . 34504 1 897 . 1 . 1 81 81 ARG HD3 H 1 3.049 0.002 . . . . . . A 79 ARG HD3 . 34504 1 898 . 1 . 1 81 81 ARG CA C 13 55.104 0.200 . . . . . . A 79 ARG CA . 34504 1 899 . 1 . 1 81 81 ARG CB C 13 31.479 0.018 . . . . . . A 79 ARG CB . 34504 1 900 . 1 . 1 81 81 ARG CG C 13 27.094 0.020 . . . . . . A 79 ARG CG . 34504 1 901 . 1 . 1 81 81 ARG CD C 13 43.520 0.020 . . . . . . A 79 ARG CD . 34504 1 902 . 1 . 1 81 81 ARG N N 15 118.032 0.017 . . . . . . A 79 ARG N . 34504 1 903 . 1 . 1 82 82 ASP H H 1 8.162 0.002 . . . . . . A 80 ASP H . 34504 1 904 . 1 . 1 82 82 ASP HA H 1 4.380 0.020 . . . . . . A 80 ASP HA . 34504 1 905 . 1 . 1 82 82 ASP HB2 H 1 2.471 0.011 . . . . . . A 80 ASP HB2 . 34504 1 906 . 1 . 1 82 82 ASP HB3 H 1 2.471 0.011 . . . . . . A 80 ASP HB3 . 34504 1 907 . 1 . 1 82 82 ASP CA C 13 54.006 0.013 . . . . . . A 80 ASP CA . 34504 1 908 . 1 . 1 82 82 ASP CB C 13 41.727 0.010 . . . . . . A 80 ASP CB . 34504 1 909 . 1 . 1 82 82 ASP N N 15 121.460 0.007 . . . . . . A 80 ASP N . 34504 1 910 . 1 . 1 83 83 LEU H H 1 8.414 0.020 . . . . . . A 81 LEU H . 34504 1 911 . 1 . 1 83 83 LEU HA H 1 4.174 0.020 . . . . . . A 81 LEU HA . 34504 1 912 . 1 . 1 83 83 LEU HB2 H 1 1.681 0.020 . . . . . . A 81 LEU HB2 . 34504 1 913 . 1 . 1 83 83 LEU HB3 H 1 0.904 0.020 . . . . . . A 81 LEU HB3 . 34504 1 914 . 1 . 1 83 83 LEU HG H 1 1.603 0.020 . . . . . . A 81 LEU HG . 34504 1 915 . 1 . 1 83 83 LEU HD11 H 1 0.674 0.020 . . . . . . A 81 LEU HD11 . 34504 1 916 . 1 . 1 83 83 LEU HD12 H 1 0.674 0.020 . . . . . . A 81 LEU HD12 . 34504 1 917 . 1 . 1 83 83 LEU HD13 H 1 0.674 0.020 . . . . . . A 81 LEU HD13 . 34504 1 918 . 1 . 1 83 83 LEU HD21 H 1 0.587 0.020 . . . . . . A 81 LEU HD21 . 34504 1 919 . 1 . 1 83 83 LEU HD22 H 1 0.587 0.020 . . . . . . A 81 LEU HD22 . 34504 1 920 . 1 . 1 83 83 LEU HD23 H 1 0.587 0.020 . . . . . . A 81 LEU HD23 . 34504 1 921 . 1 . 1 83 83 LEU CA C 13 53.090 0.200 . . . . . . A 81 LEU CA . 34504 1 922 . 1 . 1 83 83 LEU CB C 13 38.948 0.034 . . . . . . A 81 LEU CB . 34504 1 923 . 1 . 1 83 83 LEU CG C 13 26.048 0.120 . . . . . . A 81 LEU CG . 34504 1 924 . 1 . 1 83 83 LEU CD1 C 13 26.683 0.200 . . . . . . A 81 LEU CD1 . 34504 1 925 . 1 . 1 83 83 LEU CD2 C 13 22.937 0.200 . . . . . . A 81 LEU CD2 . 34504 1 926 . 1 . 1 83 83 LEU N N 15 123.124 0.004 . . . . . . A 81 LEU N . 34504 1 927 . 1 . 1 84 84 THR H H 1 7.410 0.002 . . . . . . A 82 THR H . 34504 1 928 . 1 . 1 84 84 THR HA H 1 4.491 0.020 . . . . . . A 82 THR HA . 34504 1 929 . 1 . 1 84 84 THR HB H 1 4.613 0.020 . . . . . . A 82 THR HB . 34504 1 930 . 1 . 1 84 84 THR HG21 H 1 1.183 0.020 . . . . . . A 82 THR HG21 . 34504 1 931 . 1 . 1 84 84 THR HG22 H 1 1.183 0.020 . . . . . . A 82 THR HG22 . 34504 1 932 . 1 . 1 84 84 THR HG23 H 1 1.183 0.020 . . . . . . A 82 THR HG23 . 34504 1 933 . 1 . 1 84 84 THR CA C 13 59.545 0.200 . . . . . . A 82 THR CA . 34504 1 934 . 1 . 1 84 84 THR CB C 13 67.889 0.200 . . . . . . A 82 THR CB . 34504 1 935 . 1 . 1 84 84 THR CG2 C 13 22.574 0.200 . . . . . . A 82 THR CG2 . 34504 1 936 . 1 . 1 84 84 THR N N 15 114.518 0.009 . . . . . . A 82 THR N . 34504 1 937 . 1 . 1 85 85 PRO HA H 1 4.059 0.005 . . . . . . A 83 PRO HA . 34504 1 938 . 1 . 1 85 85 PRO HB2 H 1 2.276 0.001 . . . . . . A 83 PRO HB2 . 34504 1 939 . 1 . 1 85 85 PRO HB3 H 1 1.826 0.003 . . . . . . A 83 PRO HB3 . 34504 1 940 . 1 . 1 85 85 PRO HG2 H 1 2.136 0.004 . . . . . . A 83 PRO HG2 . 34504 1 941 . 1 . 1 85 85 PRO HG3 H 1 1.946 0.003 . . . . . . A 83 PRO HG3 . 34504 1 942 . 1 . 1 85 85 PRO HD2 H 1 3.789 0.008 . . . . . . A 83 PRO HD2 . 34504 1 943 . 1 . 1 85 85 PRO HD3 H 1 3.789 0.008 . . . . . . A 83 PRO HD3 . 34504 1 944 . 1 . 1 85 85 PRO CA C 13 66.275 0.033 . . . . . . A 83 PRO CA . 34504 1 945 . 1 . 1 85 85 PRO CB C 13 31.681 0.058 . . . . . . A 83 PRO CB . 34504 1 946 . 1 . 1 85 85 PRO CG C 13 28.097 0.031 . . . . . . A 83 PRO CG . 34504 1 947 . 1 . 1 85 85 PRO CD C 13 49.963 0.200 . . . . . . A 83 PRO CD . 34504 1 948 . 1 . 1 86 86 GLU H H 1 8.720 0.001 . . . . . . A 84 GLU H . 34504 1 949 . 1 . 1 86 86 GLU HA H 1 4.013 0.002 . . . . . . A 84 GLU HA . 34504 1 950 . 1 . 1 86 86 GLU HB2 H 1 1.967 0.001 . . . . . . A 84 GLU HB2 . 34504 1 951 . 1 . 1 86 86 GLU HB3 H 1 1.863 0.006 . . . . . . A 84 GLU HB3 . 34504 1 952 . 1 . 1 86 86 GLU HG2 H 1 2.296 0.020 . . . . . . A 84 GLU HG2 . 34504 1 953 . 1 . 1 86 86 GLU HG3 H 1 2.226 0.020 . . . . . . A 84 GLU HG3 . 34504 1 954 . 1 . 1 86 86 GLU CA C 13 59.813 0.200 . . . . . . A 84 GLU CA . 34504 1 955 . 1 . 1 86 86 GLU CB C 13 29.038 0.007 . . . . . . A 84 GLU CB . 34504 1 956 . 1 . 1 86 86 GLU CG C 13 36.553 0.029 . . . . . . A 84 GLU CG . 34504 1 957 . 1 . 1 86 86 GLU N N 15 116.289 0.014 . . . . . . A 84 GLU N . 34504 1 958 . 1 . 1 87 87 ILE H H 1 7.405 0.001 . . . . . . A 85 ILE H . 34504 1 959 . 1 . 1 87 87 ILE HA H 1 3.779 0.020 . . . . . . A 85 ILE HA . 34504 1 960 . 1 . 1 87 87 ILE HB H 1 2.017 0.020 . . . . . . A 85 ILE HB . 34504 1 961 . 1 . 1 87 87 ILE HG12 H 1 1.548 0.020 . . . . . . A 85 ILE HG12 . 34504 1 962 . 1 . 1 87 87 ILE HG13 H 1 1.221 0.020 . . . . . . A 85 ILE HG13 . 34504 1 963 . 1 . 1 87 87 ILE HG21 H 1 0.810 0.020 . . . . . . A 85 ILE HG21 . 34504 1 964 . 1 . 1 87 87 ILE HG22 H 1 0.810 0.020 . . . . . . A 85 ILE HG22 . 34504 1 965 . 1 . 1 87 87 ILE HG23 H 1 0.810 0.020 . . . . . . A 85 ILE HG23 . 34504 1 966 . 1 . 1 87 87 ILE HD11 H 1 0.820 0.020 . . . . . . A 85 ILE HD11 . 34504 1 967 . 1 . 1 87 87 ILE HD12 H 1 0.820 0.020 . . . . . . A 85 ILE HD12 . 34504 1 968 . 1 . 1 87 87 ILE HD13 H 1 0.820 0.020 . . . . . . A 85 ILE HD13 . 34504 1 969 . 1 . 1 87 87 ILE CA C 13 63.407 0.200 . . . . . . A 85 ILE CA . 34504 1 970 . 1 . 1 87 87 ILE CB C 13 37.312 0.200 . . . . . . A 85 ILE CB . 34504 1 971 . 1 . 1 87 87 ILE CG1 C 13 29.553 0.001 . . . . . . A 85 ILE CG1 . 34504 1 972 . 1 . 1 87 87 ILE CG2 C 13 17.741 0.200 . . . . . . A 85 ILE CG2 . 34504 1 973 . 1 . 1 87 87 ILE CD1 C 13 11.961 0.200 . . . . . . A 85 ILE CD1 . 34504 1 974 . 1 . 1 87 87 ILE N N 15 123.769 0.010 . . . . . . A 85 ILE N . 34504 1 975 . 1 . 1 88 88 VAL H H 1 8.460 0.001 . . . . . . A 86 VAL H . 34504 1 976 . 1 . 1 88 88 VAL HA H 1 3.221 0.020 . . . . . . A 86 VAL HA . 34504 1 977 . 1 . 1 88 88 VAL HB H 1 1.921 0.020 . . . . . . A 86 VAL HB . 34504 1 978 . 1 . 1 88 88 VAL HG11 H 1 0.839 0.001 . . . . . . A 86 VAL HG11 . 34504 1 979 . 1 . 1 88 88 VAL HG12 H 1 0.839 0.001 . . . . . . A 86 VAL HG12 . 34504 1 980 . 1 . 1 88 88 VAL HG13 H 1 0.839 0.001 . . . . . . A 86 VAL HG13 . 34504 1 981 . 1 . 1 88 88 VAL HG21 H 1 0.762 0.001 . . . . . . A 86 VAL HG21 . 34504 1 982 . 1 . 1 88 88 VAL HG22 H 1 0.762 0.001 . . . . . . A 86 VAL HG22 . 34504 1 983 . 1 . 1 88 88 VAL HG23 H 1 0.762 0.001 . . . . . . A 86 VAL HG23 . 34504 1 984 . 1 . 1 88 88 VAL CA C 13 67.039 0.022 . . . . . . A 86 VAL CA . 34504 1 985 . 1 . 1 88 88 VAL CB C 13 31.795 0.021 . . . . . . A 86 VAL CB . 34504 1 986 . 1 . 1 88 88 VAL CG1 C 13 21.579 0.013 . . . . . . A 86 VAL CG1 . 34504 1 987 . 1 . 1 88 88 VAL CG2 C 13 24.062 0.006 . . . . . . A 86 VAL CG2 . 34504 1 988 . 1 . 1 88 88 VAL N N 15 121.362 0.012 . . . . . . A 86 VAL N . 34504 1 989 . 1 . 1 89 89 ASN H H 1 8.139 0.001 . . . . . . A 87 ASN H . 34504 1 990 . 1 . 1 89 89 ASN HA H 1 4.261 0.001 . . . . . . A 87 ASN HA . 34504 1 991 . 1 . 1 89 89 ASN HB2 H 1 2.720 0.020 . . . . . . A 87 ASN HB2 . 34504 1 992 . 1 . 1 89 89 ASN HB3 H 1 2.685 0.020 . . . . . . A 87 ASN HB3 . 34504 1 993 . 1 . 1 89 89 ASN HD21 H 1 7.762 0.020 . . . . . . A 87 ASN HD21 . 34504 1 994 . 1 . 1 89 89 ASN HD22 H 1 7.001 0.020 . . . . . . A 87 ASN HD22 . 34504 1 995 . 1 . 1 89 89 ASN CA C 13 56.906 0.059 . . . . . . A 87 ASN CA . 34504 1 996 . 1 . 1 89 89 ASN CB C 13 39.177 0.005 . . . . . . A 87 ASN CB . 34504 1 997 . 1 . 1 89 89 ASN N N 15 115.613 0.005 . . . . . . A 87 ASN N . 34504 1 998 . 1 . 1 89 89 ASN ND2 N 15 114.860 0.010 . . . . . . A 87 ASN ND2 . 34504 1 999 . 1 . 1 90 90 ALA H H 1 7.543 0.020 . . . . . . A 88 ALA H . 34504 1 1000 . 1 . 1 90 90 ALA HA H 1 4.071 0.001 . . . . . . A 88 ALA HA . 34504 1 1001 . 1 . 1 90 90 ALA HB1 H 1 1.381 0.020 . . . . . . A 88 ALA HB1 . 34504 1 1002 . 1 . 1 90 90 ALA HB2 H 1 1.381 0.020 . . . . . . A 88 ALA HB2 . 34504 1 1003 . 1 . 1 90 90 ALA HB3 H 1 1.381 0.020 . . . . . . A 88 ALA HB3 . 34504 1 1004 . 1 . 1 90 90 ALA CA C 13 54.310 0.006 . . . . . . A 88 ALA CA . 34504 1 1005 . 1 . 1 90 90 ALA CB C 13 18.194 0.004 . . . . . . A 88 ALA CB . 34504 1 1006 . 1 . 1 90 90 ALA N N 15 119.570 0.003 . . . . . . A 88 ALA N . 34504 1 1007 . 1 . 1 91 91 ALA H H 1 7.772 0.001 . . . . . . A 89 ALA H . 34504 1 1008 . 1 . 1 91 91 ALA HA H 1 3.908 0.002 . . . . . . A 89 ALA HA . 34504 1 1009 . 1 . 1 91 91 ALA HB1 H 1 1.198 0.020 . . . . . . A 89 ALA HB1 . 34504 1 1010 . 1 . 1 91 91 ALA HB2 H 1 1.198 0.020 . . . . . . A 89 ALA HB2 . 34504 1 1011 . 1 . 1 91 91 ALA HB3 H 1 1.198 0.020 . . . . . . A 89 ALA HB3 . 34504 1 1012 . 1 . 1 91 91 ALA CA C 13 53.904 0.018 . . . . . . A 89 ALA CA . 34504 1 1013 . 1 . 1 91 91 ALA CB C 13 18.754 0.008 . . . . . . A 89 ALA CB . 34504 1 1014 . 1 . 1 91 91 ALA N N 15 117.897 0.002 . . . . . . A 89 ALA N . 34504 1 1015 . 1 . 1 92 92 LEU H H 1 7.503 0.001 . . . . . . A 90 LEU H . 34504 1 1016 . 1 . 1 92 92 LEU HA H 1 4.456 0.020 . . . . . . A 90 LEU HA . 34504 1 1017 . 1 . 1 92 92 LEU HB2 H 1 1.633 0.020 . . . . . . A 90 LEU HB2 . 34504 1 1018 . 1 . 1 92 92 LEU HB3 H 1 1.257 0.020 . . . . . . A 90 LEU HB3 . 34504 1 1019 . 1 . 1 92 92 LEU HG H 1 1.821 0.020 . . . . . . A 90 LEU HG . 34504 1 1020 . 1 . 1 92 92 LEU HD11 H 1 0.715 0.020 . . . . . . A 90 LEU HD11 . 34504 1 1021 . 1 . 1 92 92 LEU HD12 H 1 0.715 0.020 . . . . . . A 90 LEU HD12 . 34504 1 1022 . 1 . 1 92 92 LEU HD13 H 1 0.715 0.020 . . . . . . A 90 LEU HD13 . 34504 1 1023 . 1 . 1 92 92 LEU HD21 H 1 0.665 0.020 . . . . . . A 90 LEU HD21 . 34504 1 1024 . 1 . 1 92 92 LEU HD22 H 1 0.665 0.020 . . . . . . A 90 LEU HD22 . 34504 1 1025 . 1 . 1 92 92 LEU HD23 H 1 0.665 0.020 . . . . . . A 90 LEU HD23 . 34504 1 1026 . 1 . 1 92 92 LEU CA C 13 55.406 0.200 . . . . . . A 90 LEU CA . 34504 1 1027 . 1 . 1 92 92 LEU CB C 13 43.343 0.005 . . . . . . A 90 LEU CB . 34504 1 1028 . 1 . 1 92 92 LEU CG C 13 26.627 0.200 . . . . . . A 90 LEU CG . 34504 1 1029 . 1 . 1 92 92 LEU CD1 C 13 25.364 0.200 . . . . . . A 90 LEU CD1 . 34504 1 1030 . 1 . 1 92 92 LEU CD2 C 13 22.362 0.200 . . . . . . A 90 LEU CD2 . 34504 1 1031 . 1 . 1 92 92 LEU N N 15 108.175 0.011 . . . . . . A 90 LEU N . 34504 1 1032 . 1 . 1 93 93 ASN H H 1 8.201 0.003 . . . . . . A 91 ASN H . 34504 1 1033 . 1 . 1 93 93 ASN HA H 1 5.038 0.001 . . . . . . A 91 ASN HA . 34504 1 1034 . 1 . 1 93 93 ASN HB2 H 1 2.974 0.020 . . . . . . A 91 ASN HB2 . 34504 1 1035 . 1 . 1 93 93 ASN HB3 H 1 2.740 0.020 . . . . . . A 91 ASN HB3 . 34504 1 1036 . 1 . 1 93 93 ASN HD21 H 1 7.619 0.003 . . . . . . A 91 ASN HD21 . 34504 1 1037 . 1 . 1 93 93 ASN HD22 H 1 6.767 0.003 . . . . . . A 91 ASN HD22 . 34504 1 1038 . 1 . 1 93 93 ASN CA C 13 53.253 0.042 . . . . . . A 91 ASN CA . 34504 1 1039 . 1 . 1 93 93 ASN CB C 13 39.926 0.011 . . . . . . A 91 ASN CB . 34504 1 1040 . 1 . 1 93 93 ASN N N 15 115.082 0.009 . . . . . . A 91 ASN N . 34504 1 1041 . 1 . 1 93 93 ASN ND2 N 15 113.207 0.011 . . . . . . A 91 ASN ND2 . 34504 1 1042 . 1 . 1 94 94 THR H H 1 7.119 0.001 . . . . . . A 92 THR H . 34504 1 1043 . 1 . 1 94 94 THR HA H 1 5.015 0.020 . . . . . . A 92 THR HA . 34504 1 1044 . 1 . 1 94 94 THR HB H 1 4.501 0.020 . . . . . . A 92 THR HB . 34504 1 1045 . 1 . 1 94 94 THR HG21 H 1 1.236 0.020 . . . . . . A 92 THR HG21 . 34504 1 1046 . 1 . 1 94 94 THR HG22 H 1 1.236 0.020 . . . . . . A 92 THR HG22 . 34504 1 1047 . 1 . 1 94 94 THR HG23 H 1 1.236 0.020 . . . . . . A 92 THR HG23 . 34504 1 1048 . 1 . 1 94 94 THR CA C 13 59.849 0.200 . . . . . . A 92 THR CA . 34504 1 1049 . 1 . 1 94 94 THR CB C 13 70.200 0.200 . . . . . . A 92 THR CB . 34504 1 1050 . 1 . 1 94 94 THR CG2 C 13 21.459 0.200 . . . . . . A 92 THR CG2 . 34504 1 1051 . 1 . 1 94 94 THR N N 15 108.742 0.011 . . . . . . A 92 THR N . 34504 1 1052 . 1 . 1 95 95 PRO HA H 1 4.376 0.003 . . . . . . A 93 PRO HA . 34504 1 1053 . 1 . 1 95 95 PRO HB2 H 1 2.393 0.002 . . . . . . A 93 PRO HB2 . 34504 1 1054 . 1 . 1 95 95 PRO HB3 H 1 1.838 0.003 . . . . . . A 93 PRO HB3 . 34504 1 1055 . 1 . 1 95 95 PRO HG2 H 1 2.069 0.001 . . . . . . A 93 PRO HG2 . 34504 1 1056 . 1 . 1 95 95 PRO HG3 H 1 1.910 0.020 . . . . . . A 93 PRO HG3 . 34504 1 1057 . 1 . 1 95 95 PRO HD2 H 1 3.888 0.005 . . . . . . A 93 PRO HD2 . 34504 1 1058 . 1 . 1 95 95 PRO HD3 H 1 3.748 0.003 . . . . . . A 93 PRO HD3 . 34504 1 1059 . 1 . 1 95 95 PRO CA C 13 64.874 0.200 . . . . . . A 93 PRO CA . 34504 1 1060 . 1 . 1 95 95 PRO CB C 13 31.642 0.011 . . . . . . A 93 PRO CB . 34504 1 1061 . 1 . 1 95 95 PRO CG C 13 27.898 0.027 . . . . . . A 93 PRO CG . 34504 1 1062 . 1 . 1 95 95 PRO CD C 13 51.518 0.037 . . . . . . A 93 PRO CD . 34504 1 1063 . 1 . 1 96 96 ALA H H 1 7.617 0.005 . . . . . . A 94 ALA H . 34504 1 1064 . 1 . 1 96 96 ALA HA H 1 3.984 0.020 . . . . . . A 94 ALA HA . 34504 1 1065 . 1 . 1 96 96 ALA HB1 H 1 1.291 0.020 . . . . . . A 94 ALA HB1 . 34504 1 1066 . 1 . 1 96 96 ALA HB2 H 1 1.291 0.020 . . . . . . A 94 ALA HB2 . 34504 1 1067 . 1 . 1 96 96 ALA HB3 H 1 1.291 0.020 . . . . . . A 94 ALA HB3 . 34504 1 1068 . 1 . 1 96 96 ALA CA C 13 54.291 0.200 . . . . . . A 94 ALA CA . 34504 1 1069 . 1 . 1 96 96 ALA CB C 13 18.011 0.200 . . . . . . A 94 ALA CB . 34504 1 1070 . 1 . 1 96 96 ALA N N 15 120.039 0.017 . . . . . . A 94 ALA N . 34504 1 1071 . 1 . 1 97 97 ALA H H 1 7.875 0.001 . . . . . . A 95 ALA H . 34504 1 1072 . 1 . 1 97 97 ALA HA H 1 4.083 0.020 . . . . . . A 95 ALA HA . 34504 1 1073 . 1 . 1 97 97 ALA HB1 H 1 1.387 0.020 . . . . . . A 95 ALA HB1 . 34504 1 1074 . 1 . 1 97 97 ALA HB2 H 1 1.387 0.020 . . . . . . A 95 ALA HB2 . 34504 1 1075 . 1 . 1 97 97 ALA HB3 H 1 1.387 0.020 . . . . . . A 95 ALA HB3 . 34504 1 1076 . 1 . 1 97 97 ALA CA C 13 55.133 0.200 . . . . . . A 95 ALA CA . 34504 1 1077 . 1 . 1 97 97 ALA CB C 13 19.698 0.200 . . . . . . A 95 ALA CB . 34504 1 1078 . 1 . 1 97 97 ALA N N 15 121.790 0.005 . . . . . . A 95 ALA N . 34504 1 1079 . 1 . 1 98 98 ALA H H 1 7.260 0.020 . . . . . . A 96 ALA H . 34504 1 1080 . 1 . 1 98 98 ALA HA H 1 4.021 0.001 . . . . . . A 96 ALA HA . 34504 1 1081 . 1 . 1 98 98 ALA HB1 H 1 1.381 0.001 . . . . . . A 96 ALA HB1 . 34504 1 1082 . 1 . 1 98 98 ALA HB2 H 1 1.381 0.001 . . . . . . A 96 ALA HB2 . 34504 1 1083 . 1 . 1 98 98 ALA HB3 H 1 1.381 0.001 . . . . . . A 96 ALA HB3 . 34504 1 1084 . 1 . 1 98 98 ALA CA C 13 53.739 0.007 . . . . . . A 96 ALA CA . 34504 1 1085 . 1 . 1 98 98 ALA CB C 13 18.883 0.011 . . . . . . A 96 ALA CB . 34504 1 1086 . 1 . 1 98 98 ALA N N 15 117.100 0.002 . . . . . . A 96 ALA N . 34504 1 1087 . 1 . 1 99 99 LYS H H 1 7.509 0.002 . . . . . . A 97 LYS H . 34504 1 1088 . 1 . 1 99 99 LYS HA H 1 4.258 0.001 . . . . . . A 97 LYS HA . 34504 1 1089 . 1 . 1 99 99 LYS HB2 H 1 1.981 0.020 . . . . . . A 97 LYS HB2 . 34504 1 1090 . 1 . 1 99 99 LYS HB3 H 1 1.707 0.020 . . . . . . A 97 LYS HB3 . 34504 1 1091 . 1 . 1 99 99 LYS HG2 H 1 1.378 0.020 . . . . . . A 97 LYS HG2 . 34504 1 1092 . 1 . 1 99 99 LYS HG3 H 1 1.342 0.003 . . . . . . A 97 LYS HG3 . 34504 1 1093 . 1 . 1 99 99 LYS HD2 H 1 1.590 0.003 . . . . . . A 97 LYS HD2 . 34504 1 1094 . 1 . 1 99 99 LYS HD3 H 1 1.590 0.003 . . . . . . A 97 LYS HD3 . 34504 1 1095 . 1 . 1 99 99 LYS HE2 H 1 2.918 0.020 . . . . . . A 97 LYS HE2 . 34504 1 1096 . 1 . 1 99 99 LYS HE3 H 1 2.918 0.020 . . . . . . A 97 LYS HE3 . 34504 1 1097 . 1 . 1 99 99 LYS CA C 13 55.314 0.007 . . . . . . A 97 LYS CA . 34504 1 1098 . 1 . 1 99 99 LYS CB C 13 32.906 0.039 . . . . . . A 97 LYS CB . 34504 1 1099 . 1 . 1 99 99 LYS CG C 13 25.095 0.015 . . . . . . A 97 LYS CG . 34504 1 1100 . 1 . 1 99 99 LYS CD C 13 28.916 0.081 . . . . . . A 97 LYS CD . 34504 1 1101 . 1 . 1 99 99 LYS CE C 13 42.179 0.200 . . . . . . A 97 LYS CE . 34504 1 1102 . 1 . 1 99 99 LYS N N 15 114.581 0.006 . . . . . . A 97 LYS N . 34504 1 1103 . 1 . 1 100 100 ILE H H 1 7.260 0.002 . . . . . . A 98 ILE H . 34504 1 1104 . 1 . 1 100 100 ILE HA H 1 4.239 0.001 . . . . . . A 98 ILE HA . 34504 1 1105 . 1 . 1 100 100 ILE HB H 1 1.799 0.020 . . . . . . A 98 ILE HB . 34504 1 1106 . 1 . 1 100 100 ILE HG12 H 1 1.803 0.020 . . . . . . A 98 ILE HG12 . 34504 1 1107 . 1 . 1 100 100 ILE HG13 H 1 1.072 0.008 . . . . . . A 98 ILE HG13 . 34504 1 1108 . 1 . 1 100 100 ILE HG21 H 1 1.183 0.003 . . . . . . A 98 ILE HG21 . 34504 1 1109 . 1 . 1 100 100 ILE HG22 H 1 1.183 0.003 . . . . . . A 98 ILE HG22 . 34504 1 1110 . 1 . 1 100 100 ILE HG23 H 1 1.183 0.003 . . . . . . A 98 ILE HG23 . 34504 1 1111 . 1 . 1 100 100 ILE HD11 H 1 0.829 0.020 . . . . . . A 98 ILE HD11 . 34504 1 1112 . 1 . 1 100 100 ILE HD12 H 1 0.829 0.020 . . . . . . A 98 ILE HD12 . 34504 1 1113 . 1 . 1 100 100 ILE HD13 H 1 0.829 0.020 . . . . . . A 98 ILE HD13 . 34504 1 1114 . 1 . 1 100 100 ILE CA C 13 60.031 0.200 . . . . . . A 98 ILE CA . 34504 1 1115 . 1 . 1 100 100 ILE CB C 13 39.019 0.200 . . . . . . A 98 ILE CB . 34504 1 1116 . 1 . 1 100 100 ILE CG1 C 13 28.145 0.004 . . . . . . A 98 ILE CG1 . 34504 1 1117 . 1 . 1 100 100 ILE CG2 C 13 16.484 0.200 . . . . . . A 98 ILE CG2 . 34504 1 1118 . 1 . 1 100 100 ILE CD1 C 13 13.682 0.200 . . . . . . A 98 ILE CD1 . 34504 1 1119 . 1 . 1 100 100 ILE N N 15 123.523 0.012 . . . . . . A 98 ILE N . 34504 1 1120 . 1 . 1 101 101 PRO HA H 1 4.767 0.006 . . . . . . A 99 PRO HA . 34504 1 1121 . 1 . 1 101 101 PRO HB2 H 1 2.251 0.020 . . . . . . A 99 PRO HB2 . 34504 1 1122 . 1 . 1 101 101 PRO HB3 H 1 1.935 0.020 . . . . . . A 99 PRO HB3 . 34504 1 1123 . 1 . 1 101 101 PRO HG2 H 1 1.954 0.001 . . . . . . A 99 PRO HG2 . 34504 1 1124 . 1 . 1 101 101 PRO HG3 H 1 1.918 0.020 . . . . . . A 99 PRO HG3 . 34504 1 1125 . 1 . 1 101 101 PRO HD2 H 1 4.026 0.002 . . . . . . A 99 PRO HD2 . 34504 1 1126 . 1 . 1 101 101 PRO HD3 H 1 3.720 0.004 . . . . . . A 99 PRO HD3 . 34504 1 1127 . 1 . 1 101 101 PRO CA C 13 61.636 0.024 . . . . . . A 99 PRO CA . 34504 1 1128 . 1 . 1 101 101 PRO CB C 13 30.787 0.044 . . . . . . A 99 PRO CB . 34504 1 1129 . 1 . 1 101 101 PRO CG C 13 26.774 0.027 . . . . . . A 99 PRO CG . 34504 1 1130 . 1 . 1 101 101 PRO CD C 13 51.145 0.023 . . . . . . A 99 PRO CD . 34504 1 1131 . 1 . 1 102 102 PRO HA H 1 3.981 0.006 . . . . . . A 100 PRO HA . 34504 1 1132 . 1 . 1 102 102 PRO HB2 H 1 1.497 0.008 . . . . . . A 100 PRO HB2 . 34504 1 1133 . 1 . 1 102 102 PRO HB3 H 1 1.112 0.010 . . . . . . A 100 PRO HB3 . 34504 1 1134 . 1 . 1 102 102 PRO HG2 H 1 1.810 0.020 . . . . . . A 100 PRO HG2 . 34504 1 1135 . 1 . 1 102 102 PRO HG3 H 1 1.297 0.001 . . . . . . A 100 PRO HG3 . 34504 1 1136 . 1 . 1 102 102 PRO HD2 H 1 3.584 0.020 . . . . . . A 100 PRO HD2 . 34504 1 1137 . 1 . 1 102 102 PRO HD3 H 1 3.485 0.003 . . . . . . A 100 PRO HD3 . 34504 1 1138 . 1 . 1 102 102 PRO CA C 13 60.556 0.162 . . . . . . A 100 PRO CA . 34504 1 1139 . 1 . 1 102 102 PRO CB C 13 29.289 0.047 . . . . . . A 100 PRO CB . 34504 1 1140 . 1 . 1 102 102 PRO CG C 13 27.177 0.059 . . . . . . A 100 PRO CG . 34504 1 1141 . 1 . 1 102 102 PRO CD C 13 49.666 0.067 . . . . . . A 100 PRO CD . 34504 1 1142 . 1 . 1 103 103 PRO HA H 1 4.390 0.007 . . . . . . A 101 PRO HA . 34504 1 1143 . 1 . 1 103 103 PRO HB2 H 1 2.222 0.010 . . . . . . A 101 PRO HB2 . 34504 1 1144 . 1 . 1 103 103 PRO HB3 H 1 1.511 0.009 . . . . . . A 101 PRO HB3 . 34504 1 1145 . 1 . 1 103 103 PRO HG2 H 1 1.917 0.020 . . . . . . A 101 PRO HG2 . 34504 1 1146 . 1 . 1 103 103 PRO HG3 H 1 1.606 0.003 . . . . . . A 101 PRO HG3 . 34504 1 1147 . 1 . 1 103 103 PRO HD2 H 1 3.552 0.001 . . . . . . A 101 PRO HD2 . 34504 1 1148 . 1 . 1 103 103 PRO HD3 H 1 3.151 0.004 . . . . . . A 101 PRO HD3 . 34504 1 1149 . 1 . 1 103 103 PRO CA C 13 62.641 0.013 . . . . . . A 101 PRO CA . 34504 1 1150 . 1 . 1 103 103 PRO CB C 13 32.970 0.092 . . . . . . A 101 PRO CB . 34504 1 1151 . 1 . 1 103 103 PRO CG C 13 27.230 0.064 . . . . . . A 101 PRO CG . 34504 1 1152 . 1 . 1 103 103 PRO CD C 13 50.095 0.063 . . . . . . A 101 PRO CD . 34504 1 1153 . 1 . 1 104 104 LYS H H 1 8.357 0.004 . . . . . . A 102 LYS H . 34504 1 1154 . 1 . 1 104 104 LYS HA H 1 4.350 0.020 . . . . . . A 102 LYS HA . 34504 1 1155 . 1 . 1 104 104 LYS HB2 H 1 1.667 0.020 . . . . . . A 102 LYS HB2 . 34504 1 1156 . 1 . 1 104 104 LYS HB3 H 1 1.667 0.020 . . . . . . A 102 LYS HB3 . 34504 1 1157 . 1 . 1 104 104 LYS HG2 H 1 1.379 0.020 . . . . . . A 102 LYS HG2 . 34504 1 1158 . 1 . 1 104 104 LYS HG3 H 1 1.256 0.020 . . . . . . A 102 LYS HG3 . 34504 1 1159 . 1 . 1 104 104 LYS HD2 H 1 1.578 0.020 . . . . . . A 102 LYS HD2 . 34504 1 1160 . 1 . 1 104 104 LYS HD3 H 1 1.578 0.020 . . . . . . A 102 LYS HD3 . 34504 1 1161 . 1 . 1 104 104 LYS HE2 H 1 2.906 0.020 . . . . . . A 102 LYS HE2 . 34504 1 1162 . 1 . 1 104 104 LYS HE3 H 1 2.906 0.020 . . . . . . A 102 LYS HE3 . 34504 1 1163 . 1 . 1 104 104 LYS CA C 13 55.963 0.200 . . . . . . A 102 LYS CA . 34504 1 1164 . 1 . 1 104 104 LYS CB C 13 32.185 0.200 . . . . . . A 102 LYS CB . 34504 1 1165 . 1 . 1 104 104 LYS CG C 13 24.521 0.021 . . . . . . A 102 LYS CG . 34504 1 1166 . 1 . 1 104 104 LYS CD C 13 28.965 0.200 . . . . . . A 102 LYS CD . 34504 1 1167 . 1 . 1 104 104 LYS CE C 13 42.176 0.018 . . . . . . A 102 LYS CE . 34504 1 1168 . 1 . 1 104 104 LYS N N 15 120.427 0.018 . . . . . . A 102 LYS N . 34504 1 1169 . 1 . 1 105 105 ILE H H 1 7.730 0.001 . . . . . . A 103 ILE H . 34504 1 1170 . 1 . 1 105 105 ILE HA H 1 3.911 0.020 . . . . . . A 103 ILE HA . 34504 1 1171 . 1 . 1 105 105 ILE HB H 1 1.415 0.015 . . . . . . A 103 ILE HB . 34504 1 1172 . 1 . 1 105 105 ILE HG12 H 1 0.690 0.020 . . . . . . A 103 ILE HG12 . 34504 1 1173 . 1 . 1 105 105 ILE HG13 H 1 0.623 0.020 . . . . . . A 103 ILE HG13 . 34504 1 1174 . 1 . 1 105 105 ILE HG21 H 1 -0.035 0.020 . . . . . . A 103 ILE HG21 . 34504 1 1175 . 1 . 1 105 105 ILE HG22 H 1 -0.035 0.020 . . . . . . A 103 ILE HG22 . 34504 1 1176 . 1 . 1 105 105 ILE HG23 H 1 -0.035 0.020 . . . . . . A 103 ILE HG23 . 34504 1 1177 . 1 . 1 105 105 ILE HD11 H 1 0.233 0.020 . . . . . . A 103 ILE HD11 . 34504 1 1178 . 1 . 1 105 105 ILE HD12 H 1 0.233 0.020 . . . . . . A 103 ILE HD12 . 34504 1 1179 . 1 . 1 105 105 ILE HD13 H 1 0.233 0.020 . . . . . . A 103 ILE HD13 . 34504 1 1180 . 1 . 1 105 105 ILE CA C 13 58.208 0.200 . . . . . . A 103 ILE CA . 34504 1 1181 . 1 . 1 105 105 ILE CB C 13 38.252 0.060 . . . . . . A 103 ILE CB . 34504 1 1182 . 1 . 1 105 105 ILE CG1 C 13 25.623 0.011 . . . . . . A 103 ILE CG1 . 34504 1 1183 . 1 . 1 105 105 ILE CG2 C 13 16.339 0.200 . . . . . . A 103 ILE CG2 . 34504 1 1184 . 1 . 1 105 105 ILE CD1 C 13 10.850 0.200 . . . . . . A 103 ILE CD1 . 34504 1 1185 . 1 . 1 105 105 ILE N N 15 126.078 0.014 . . . . . . A 103 ILE N . 34504 1 1186 . 1 . 1 106 106 ASN H H 1 8.235 0.002 . . . . . . A 104 ASN H . 34504 1 1187 . 1 . 1 106 106 ASN HA H 1 4.630 0.006 . . . . . . A 104 ASN HA . 34504 1 1188 . 1 . 1 106 106 ASN HB2 H 1 2.759 0.006 . . . . . . A 104 ASN HB2 . 34504 1 1189 . 1 . 1 106 106 ASN HB3 H 1 2.633 0.001 . . . . . . A 104 ASN HB3 . 34504 1 1190 . 1 . 1 106 106 ASN HD21 H 1 7.533 0.002 . . . . . . A 104 ASN HD21 . 34504 1 1191 . 1 . 1 106 106 ASN HD22 H 1 6.802 0.020 . . . . . . A 104 ASN HD22 . 34504 1 1192 . 1 . 1 106 106 ASN CA C 13 52.987 0.200 . . . . . . A 104 ASN CA . 34504 1 1193 . 1 . 1 106 106 ASN CB C 13 38.808 0.029 . . . . . . A 104 ASN CB . 34504 1 1194 . 1 . 1 106 106 ASN N N 15 125.293 0.006 . . . . . . A 104 ASN N . 34504 1 1195 . 1 . 1 106 106 ASN ND2 N 15 112.884 0.022 . . . . . . A 104 ASN ND2 . 34504 1 1196 . 1 . 1 107 107 LEU H H 1 8.431 0.001 . . . . . . A 105 LEU H . 34504 1 1197 . 1 . 1 107 107 LEU HA H 1 4.341 0.015 . . . . . . A 105 LEU HA . 34504 1 1198 . 1 . 1 107 107 LEU HB2 H 1 1.549 0.016 . . . . . . A 105 LEU HB2 . 34504 1 1199 . 1 . 1 107 107 LEU HB3 H 1 1.549 0.016 . . . . . . A 105 LEU HB3 . 34504 1 1200 . 1 . 1 107 107 LEU HG H 1 1.539 0.009 . . . . . . A 105 LEU HG . 34504 1 1201 . 1 . 1 107 107 LEU HD11 H 1 0.889 0.011 . . . . . . A 105 LEU HD11 . 34504 1 1202 . 1 . 1 107 107 LEU HD12 H 1 0.889 0.011 . . . . . . A 105 LEU HD12 . 34504 1 1203 . 1 . 1 107 107 LEU HD13 H 1 0.889 0.011 . . . . . . A 105 LEU HD13 . 34504 1 1204 . 1 . 1 107 107 LEU HD21 H 1 0.781 0.013 . . . . . . A 105 LEU HD21 . 34504 1 1205 . 1 . 1 107 107 LEU HD22 H 1 0.781 0.013 . . . . . . A 105 LEU HD22 . 34504 1 1206 . 1 . 1 107 107 LEU HD23 H 1 0.781 0.013 . . . . . . A 105 LEU HD23 . 34504 1 1207 . 1 . 1 107 107 LEU CA C 13 54.739 0.060 . . . . . . A 105 LEU CA . 34504 1 1208 . 1 . 1 107 107 LEU CB C 13 42.878 0.007 . . . . . . A 105 LEU CB . 34504 1 1209 . 1 . 1 107 107 LEU CG C 13 26.848 0.053 . . . . . . A 105 LEU CG . 34504 1 1210 . 1 . 1 107 107 LEU CD1 C 13 25.406 0.091 . . . . . . A 105 LEU CD1 . 34504 1 1211 . 1 . 1 107 107 LEU CD2 C 13 23.446 0.009 . . . . . . A 105 LEU CD2 . 34504 1 1212 . 1 . 1 107 107 LEU N N 15 124.999 0.006 . . . . . . A 105 LEU N . 34504 1 1213 . 1 . 1 108 108 SER H H 1 8.245 0.002 . . . . . . A 106 SER H . 34504 1 1214 . 1 . 1 108 108 SER HA H 1 4.357 0.006 . . . . . . A 106 SER HA . 34504 1 1215 . 1 . 1 108 108 SER HB2 H 1 3.799 0.014 . . . . . . A 106 SER HB2 . 34504 1 1216 . 1 . 1 108 108 SER HB3 H 1 3.799 0.014 . . . . . . A 106 SER HB3 . 34504 1 1217 . 1 . 1 108 108 SER CA C 13 58.259 0.044 . . . . . . A 106 SER CA . 34504 1 1218 . 1 . 1 108 108 SER CB C 13 63.976 0.010 . . . . . . A 106 SER CB . 34504 1 1219 . 1 . 1 108 108 SER N N 15 116.956 0.019 . . . . . . A 106 SER N . 34504 1 1220 . 1 . 1 109 109 ALA H H 1 7.888 0.001 . . . . . . A 107 ALA H . 34504 1 1221 . 1 . 1 109 109 ALA HA H 1 4.047 0.007 . . . . . . A 107 ALA HA . 34504 1 1222 . 1 . 1 109 109 ALA HB1 H 1 1.256 0.012 . . . . . . A 107 ALA HB1 . 34504 1 1223 . 1 . 1 109 109 ALA HB2 H 1 1.256 0.012 . . . . . . A 107 ALA HB2 . 34504 1 1224 . 1 . 1 109 109 ALA HB3 H 1 1.256 0.012 . . . . . . A 107 ALA HB3 . 34504 1 1225 . 1 . 1 109 109 ALA CA C 13 53.921 0.040 . . . . . . A 107 ALA CA . 34504 1 1226 . 1 . 1 109 109 ALA CB C 13 20.116 0.023 . . . . . . A 107 ALA CB . 34504 1 1227 . 1 . 1 109 109 ALA N N 15 131.172 0.003 . . . . . . A 107 ALA N . 34504 1 stop_ save_