data_34395 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34395 _Entry.Title ; Solution structure and 1H, 13C and 15N chemical shift assignments for the complex of NECAP1 PHear domain with phosphorylated AP2 mu2 148-163 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-04-18 _Entry.Accession_date 2019-04-18 _Entry.Last_release_date 2019-10-17 _Entry.Original_release_date 2019-10-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34395 stop_ 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 D. Owen D. J. . . 34395 2 D. Neuhaus D. . . . 34395 3 J. Yang J. C. . . 34395 4 T. Herrmann T. . . . 34395 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'AP2 endocytic adaptor' . 34395 ENDOCYTOSIS . 34395 NECAP . 34395 SNX9 . 34395 'clathrin mediated endocytosis' . 34395 'regulation by phosphorylation' . 34395 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34395 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 34395 '15N chemical shifts' 140 34395 '1H chemical shifts' 1040 34395 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-10-22 . original BMRB . 34395 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6RH6 . 34395 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34395 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.devcel.2019.07.017 _Citation.PubMed_ID 31430451 _Citation.Full_citation . _Citation.Title ; Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Dev. Cell' _Citation.Journal_name_full . _Citation.Journal_volume 50 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1534-5807 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 494 _Citation.Page_last 508 _Citation.Year 2019 _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 A. Wrobel A. G. . . 34395 1 2 Z. Kadlecova Z. . . . 34395 1 3 J. Kamenicky J. . . . 34395 1 4 J. Yang J. C. . . 34395 1 5 T. Herrmann T. . . . 34395 1 6 B. Kelly B. T. . . 34395 1 7 A. McCoy A. J. . . 34395 1 8 P. Evans P. R. . . 34395 1 9 S. Martin S. . . . 34395 1 10 S. Muller S. . . . 34395 1 11 F. Sroubek F. . . . 34395 1 12 D. Neuhaus D. . . . 34395 1 13 S. Honing S. . . . 34395 1 14 D. Owen D. J. . . 34395 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34395 _Assembly.ID 1 _Assembly.Name 'Adaptin ear-binding coat-associated protein 1, AP-2 complex subunit mu' _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 entity_1 1 $entity_1 A A yes . . . . . . 34395 1 2 entity_2 2 $entity_2 B B yes . . . . . . 34395 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34395 _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 ; GSPNSMATELEYESVLCVKP DVSVYRIPPRASNRGYRASD WKLDQPDWTGRLRITSKGKT AYIKLEDKVSGELFAQAPVE QYPGIAVETVTDSSRYFVIR IQDGTGRSAFIGIGFTDRGD AFDFNVSLQDHFKWVKQE ; _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 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15562.371 _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 'NECAP endocytosis-associated protein 1' na 34395 1 NECAP-1 na 34395 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 -4 GLY . 34395 1 2 -3 SER . 34395 1 3 -2 PRO . 34395 1 4 -1 ASN . 34395 1 5 0 SER . 34395 1 6 1 MET . 34395 1 7 2 ALA . 34395 1 8 3 THR . 34395 1 9 4 GLU . 34395 1 10 5 LEU . 34395 1 11 6 GLU . 34395 1 12 7 TYR . 34395 1 13 8 GLU . 34395 1 14 9 SER . 34395 1 15 10 VAL . 34395 1 16 11 LEU . 34395 1 17 12 CYS . 34395 1 18 13 VAL . 34395 1 19 14 LYS . 34395 1 20 15 PRO . 34395 1 21 16 ASP . 34395 1 22 17 VAL . 34395 1 23 18 SER . 34395 1 24 19 VAL . 34395 1 25 20 TYR . 34395 1 26 21 ARG . 34395 1 27 22 ILE . 34395 1 28 23 PRO . 34395 1 29 24 PRO . 34395 1 30 25 ARG . 34395 1 31 26 ALA . 34395 1 32 27 SER . 34395 1 33 28 ASN . 34395 1 34 29 ARG . 34395 1 35 30 GLY . 34395 1 36 31 TYR . 34395 1 37 32 ARG . 34395 1 38 33 ALA . 34395 1 39 34 SER . 34395 1 40 35 ASP . 34395 1 41 36 TRP . 34395 1 42 37 LYS . 34395 1 43 38 LEU . 34395 1 44 39 ASP . 34395 1 45 40 GLN . 34395 1 46 41 PRO . 34395 1 47 42 ASP . 34395 1 48 43 TRP . 34395 1 49 44 THR . 34395 1 50 45 GLY . 34395 1 51 46 ARG . 34395 1 52 47 LEU . 34395 1 53 48 ARG . 34395 1 54 49 ILE . 34395 1 55 50 THR . 34395 1 56 51 SER . 34395 1 57 52 LYS . 34395 1 58 53 GLY . 34395 1 59 54 LYS . 34395 1 60 55 THR . 34395 1 61 56 ALA . 34395 1 62 57 TYR . 34395 1 63 58 ILE . 34395 1 64 59 LYS . 34395 1 65 60 LEU . 34395 1 66 61 GLU . 34395 1 67 62 ASP . 34395 1 68 63 LYS . 34395 1 69 64 VAL . 34395 1 70 65 SER . 34395 1 71 66 GLY . 34395 1 72 67 GLU . 34395 1 73 68 LEU . 34395 1 74 69 PHE . 34395 1 75 70 ALA . 34395 1 76 71 GLN . 34395 1 77 72 ALA . 34395 1 78 73 PRO . 34395 1 79 74 VAL . 34395 1 80 75 GLU . 34395 1 81 76 GLN . 34395 1 82 77 TYR . 34395 1 83 78 PRO . 34395 1 84 79 GLY . 34395 1 85 80 ILE . 34395 1 86 81 ALA . 34395 1 87 82 VAL . 34395 1 88 83 GLU . 34395 1 89 84 THR . 34395 1 90 85 VAL . 34395 1 91 86 THR . 34395 1 92 87 ASP . 34395 1 93 88 SER . 34395 1 94 89 SER . 34395 1 95 90 ARG . 34395 1 96 91 TYR . 34395 1 97 92 PHE . 34395 1 98 93 VAL . 34395 1 99 94 ILE . 34395 1 100 95 ARG . 34395 1 101 96 ILE . 34395 1 102 97 GLN . 34395 1 103 98 ASP . 34395 1 104 99 GLY . 34395 1 105 100 THR . 34395 1 106 101 GLY . 34395 1 107 102 ARG . 34395 1 108 103 SER . 34395 1 109 104 ALA . 34395 1 110 105 PHE . 34395 1 111 106 ILE . 34395 1 112 107 GLY . 34395 1 113 108 ILE . 34395 1 114 109 GLY . 34395 1 115 110 PHE . 34395 1 116 111 THR . 34395 1 117 112 ASP . 34395 1 118 113 ARG . 34395 1 119 114 GLY . 34395 1 120 115 ASP . 34395 1 121 116 ALA . 34395 1 122 117 PHE . 34395 1 123 118 ASP . 34395 1 124 119 PHE . 34395 1 125 120 ASN . 34395 1 126 121 VAL . 34395 1 127 122 SER . 34395 1 128 123 LEU . 34395 1 129 124 GLN . 34395 1 130 125 ASP . 34395 1 131 126 HIS . 34395 1 132 127 PHE . 34395 1 133 128 LYS . 34395 1 134 129 TRP . 34395 1 135 130 VAL . 34395 1 136 131 LYS . 34395 1 137 132 GLN . 34395 1 138 133 GLU . 34395 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 34395 1 . SER 2 2 34395 1 . PRO 3 3 34395 1 . ASN 4 4 34395 1 . SER 5 5 34395 1 . MET 6 6 34395 1 . ALA 7 7 34395 1 . THR 8 8 34395 1 . GLU 9 9 34395 1 . LEU 10 10 34395 1 . GLU 11 11 34395 1 . TYR 12 12 34395 1 . GLU 13 13 34395 1 . SER 14 14 34395 1 . VAL 15 15 34395 1 . LEU 16 16 34395 1 . CYS 17 17 34395 1 . VAL 18 18 34395 1 . LYS 19 19 34395 1 . PRO 20 20 34395 1 . ASP 21 21 34395 1 . VAL 22 22 34395 1 . SER 23 23 34395 1 . VAL 24 24 34395 1 . TYR 25 25 34395 1 . ARG 26 26 34395 1 . ILE 27 27 34395 1 . PRO 28 28 34395 1 . PRO 29 29 34395 1 . ARG 30 30 34395 1 . ALA 31 31 34395 1 . SER 32 32 34395 1 . ASN 33 33 34395 1 . ARG 34 34 34395 1 . GLY 35 35 34395 1 . TYR 36 36 34395 1 . ARG 37 37 34395 1 . ALA 38 38 34395 1 . SER 39 39 34395 1 . ASP 40 40 34395 1 . TRP 41 41 34395 1 . LYS 42 42 34395 1 . LEU 43 43 34395 1 . ASP 44 44 34395 1 . GLN 45 45 34395 1 . PRO 46 46 34395 1 . ASP 47 47 34395 1 . TRP 48 48 34395 1 . THR 49 49 34395 1 . GLY 50 50 34395 1 . ARG 51 51 34395 1 . LEU 52 52 34395 1 . ARG 53 53 34395 1 . ILE 54 54 34395 1 . THR 55 55 34395 1 . SER 56 56 34395 1 . LYS 57 57 34395 1 . GLY 58 58 34395 1 . LYS 59 59 34395 1 . THR 60 60 34395 1 . ALA 61 61 34395 1 . TYR 62 62 34395 1 . ILE 63 63 34395 1 . LYS 64 64 34395 1 . LEU 65 65 34395 1 . GLU 66 66 34395 1 . ASP 67 67 34395 1 . LYS 68 68 34395 1 . VAL 69 69 34395 1 . SER 70 70 34395 1 . GLY 71 71 34395 1 . GLU 72 72 34395 1 . LEU 73 73 34395 1 . PHE 74 74 34395 1 . ALA 75 75 34395 1 . GLN 76 76 34395 1 . ALA 77 77 34395 1 . PRO 78 78 34395 1 . VAL 79 79 34395 1 . GLU 80 80 34395 1 . GLN 81 81 34395 1 . TYR 82 82 34395 1 . PRO 83 83 34395 1 . GLY 84 84 34395 1 . ILE 85 85 34395 1 . ALA 86 86 34395 1 . VAL 87 87 34395 1 . GLU 88 88 34395 1 . THR 89 89 34395 1 . VAL 90 90 34395 1 . THR 91 91 34395 1 . ASP 92 92 34395 1 . SER 93 93 34395 1 . SER 94 94 34395 1 . ARG 95 95 34395 1 . TYR 96 96 34395 1 . PHE 97 97 34395 1 . VAL 98 98 34395 1 . ILE 99 99 34395 1 . ARG 100 100 34395 1 . ILE 101 101 34395 1 . GLN 102 102 34395 1 . ASP 103 103 34395 1 . GLY 104 104 34395 1 . THR 105 105 34395 1 . GLY 106 106 34395 1 . ARG 107 107 34395 1 . SER 108 108 34395 1 . ALA 109 109 34395 1 . PHE 110 110 34395 1 . ILE 111 111 34395 1 . GLY 112 112 34395 1 . ILE 113 113 34395 1 . GLY 114 114 34395 1 . PHE 115 115 34395 1 . THR 116 116 34395 1 . ASP 117 117 34395 1 . ARG 118 118 34395 1 . GLY 119 119 34395 1 . ASP 120 120 34395 1 . ALA 121 121 34395 1 . PHE 122 122 34395 1 . ASP 123 123 34395 1 . PHE 124 124 34395 1 . ASN 125 125 34395 1 . VAL 126 126 34395 1 . SER 127 127 34395 1 . LEU 128 128 34395 1 . GLN 129 129 34395 1 . ASP 130 130 34395 1 . HIS 131 131 34395 1 . PHE 132 132 34395 1 . LYS 133 133 34395 1 . TRP 134 134 34395 1 . VAL 135 135 34395 1 . LYS 136 136 34395 1 . GLN 137 137 34395 1 . GLU 138 138 34395 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34395 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SQITSQVXGQIGWRR ; _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 yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1798.892 _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 'AP-2 mu chain' na 34395 2 'Adaptor protein complex AP-2 subunit mu' na 34395 2 'Adaptor-related protein complex 2 subunit mu' na 34395 2 'Clathrin assembly protein complex 2 mu medium chain' na 34395 2 'Clathrin coat assembly protein AP50' na 34395 2 'Clathrin coat-associated protein AP50' na 34395 2 Mu2-adaptin na 34395 2 'Plasma membrane adaptor AP-2 50 kDa protein' na 34395 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 1 149 SER . 34395 2 2 150 GLN . 34395 2 3 151 ILE . 34395 2 4 152 THR . 34395 2 5 153 SER . 34395 2 6 154 GLN . 34395 2 7 155 VAL . 34395 2 8 156 TPO . 34395 2 9 157 GLY . 34395 2 10 158 GLN . 34395 2 11 159 ILE . 34395 2 12 160 GLY . 34395 2 13 161 TRP . 34395 2 14 162 ARG . 34395 2 15 163 ARG . 34395 2 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 . SER 1 1 34395 2 . GLN 2 2 34395 2 . ILE 3 3 34395 2 . THR 4 4 34395 2 . SER 5 5 34395 2 . GLN 6 6 34395 2 . VAL 7 7 34395 2 . TPO 8 8 34395 2 . GLY 9 9 34395 2 . GLN 10 10 34395 2 . ILE 11 11 34395 2 . GLY 12 12 34395 2 . TRP 13 13 34395 2 . ARG 14 14 34395 2 . ARG 15 15 34395 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 34395 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . NECAP1 . 34395 1 2 2 $entity_2 . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 34395 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 34395 _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' . . 562 Escherichia coli . . . . . . . . . . 34395 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34395 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_TPO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TPO _Chem_comp.Entry_ID 34395 _Chem_comp.ID TPO _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOTHREONINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code TPO _Chem_comp.PDB_code TPO _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 T _Chem_comp.Three_letter_code TPO _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 12 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 _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 THR _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 PHOSPHONOTHREONINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H10 N O6 P' _Chem_comp.Formula_weight 199.099 _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 1FMO _Chem_comp.Processing_site EBI _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 CC(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 34395 TPO C[C@@H](O[P](O)(O)=O)[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 34395 TPO C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34395 TPO C[CH](O[P](O)(O)=O)[CH](N)C(O)=O SMILES CACTVS 3.341 34395 TPO InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 InChI InChI 1.03 34395 TPO O=P(O)(O)OC(C(N)C(=O)O)C SMILES ACDLabs 10.04 34395 TPO USRGIUJOYOXOQJ-GBXIJSLDSA-N InChIKey InChI 1.03 34395 TPO 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 '(2S,3R)-2-amino-3-phosphonooxy-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34395 TPO O-phosphono-L-threonine 'SYSTEMATIC NAME' ACDLabs 10.04 34395 TPO 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 N N N N . N . . N 0 . . . 1 no no . . . . 21.891 . 2.133 . -14.748 . 1.153 -1.040 2.377 1 . 34395 TPO CA CA CA CA . C . . S 0 . . . 1 no no . . . . 22.318 . 2.994 . -13.673 . 0.572 0.199 1.844 2 . 34395 TPO CB CB CB CB . C . . R 0 . . . 1 no no . . . . 21.313 . 4.075 . -13.361 . 1.111 0.449 0.434 3 . 34395 TPO CG2 CG2 CG2 CG2 . C . . N 0 . . . 1 no no . . . . 21.837 . 5.045 . -12.302 . 2.634 0.580 0.485 4 . 34395 TPO OG1 OG1 OG1 OG1 . O . . N 0 . . . 1 no no . . . . 20.898 . 4.716 . -14.523 . 0.755 -0.645 -0.412 5 . 34395 TPO P P P P . P . . N 0 . . . 1 no no . . . . 19.424 . 4.424 . -14.993 . -0.142 -0.039 -1.603 6 . 34395 TPO O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 19.358 . 5.014 . -16.321 . 0.644 0.968 -2.350 7 . 34395 TPO O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 19.243 . 2.986 . -14.834 . -0.580 -1.224 -2.601 8 . 34395 TPO O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 18.506 . 5.082 . -14.021 . -1.456 0.656 -0.985 9 . 34395 TPO C C C C . C . . N 0 . . . 1 no no . . . . 22.539 . 2.278 . -12.384 . -0.927 0.070 1.794 10 . 34395 TPO O O O O . O . . N 0 . . . 1 no no . . . . 21.778 . 1.390 . -12.005 . -1.435 -1.012 1.626 11 . 34395 TPO OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 23.582 . 2.721 . -11.720 . -1.700 1.159 1.935 12 . 34395 TPO H H H H . H . . N 0 . . . 1 no no . . . . 22.570 . 1.402 . -14.958 . 2.154 -0.949 2.296 13 . 34395 TPO H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 21.663 . 2.673 . -15.582 . 0.877 -1.782 1.751 14 . 34395 TPO HA HA HA HA . H . . N 0 . . . 1 no no . . . . 23.275 . 3.418 . -14.056 . 0.844 1.034 2.490 15 . 34395 TPO HB HB HB HB . H . . N 0 . . . 1 no no . . . . 20.410 . 3.593 . -12.916 . 0.680 1.369 0.039 16 . 34395 TPO HG21 HG21 HG21 1HG2 . H . . N 0 . . . 0 no no . . . . 21.094 . 5.844 . -12.071 . 3.065 -0.339 0.881 17 . 34395 TPO HG22 HG22 HG22 2HG2 . H . . N 0 . . . 0 no no . . . . 22.154 . 4.506 . -11.378 . 3.018 0.758 -0.518 18 . 34395 TPO HG23 HG23 HG23 3HG2 . H . . N 0 . . . 0 no no . . . . 22.821 . 5.477 . -12.598 . 2.906 1.415 1.131 19 . 34395 TPO HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 18.353 . 2.809 . -15.117 . -1.114 -0.819 -3.298 20 . 34395 TPO HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 17.616 . 4.905 . -14.304 . -1.938 -0.033 -0.509 21 . 34395 TPO HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 23.722 . 2.264 . -10.898 . -2.662 1.076 1.902 22 . 34395 TPO stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA no N 1 . 34395 TPO 2 . SING N H no N 2 . 34395 TPO 3 . SING N H2 no N 3 . 34395 TPO 4 . SING CA CB no N 4 . 34395 TPO 5 . SING CA C no N 5 . 34395 TPO 6 . SING CA HA no N 6 . 34395 TPO 7 . SING CB CG2 no N 7 . 34395 TPO 8 . SING CB OG1 no N 8 . 34395 TPO 9 . SING CB HB no N 9 . 34395 TPO 10 . SING CG2 HG21 no N 10 . 34395 TPO 11 . SING CG2 HG22 no N 11 . 34395 TPO 12 . SING CG2 HG23 no N 12 . 34395 TPO 13 . SING OG1 P no N 13 . 34395 TPO 14 . DOUB P O1P no N 14 . 34395 TPO 15 . SING P O2P no N 15 . 34395 TPO 16 . SING P O3P no N 16 . 34395 TPO 17 . SING O2P HOP2 no N 17 . 34395 TPO 18 . SING O3P HOP3 no N 18 . 34395 TPO 19 . DOUB C O no N 19 . 34395 TPO 20 . SING C OXT no N 20 . 34395 TPO 21 . SING OXT HXT no N 21 . 34395 TPO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34395 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-98% 13C; U-98% 15N] NECAP1 1-133, 0.5 mM AP2 mu2 148-163, 70 mM [U-2H] sodium acetate, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'NECAP1 1-133' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34395 1 2 'AP2 mu2 148-163' 'natural abundance' . . 2 $entity_2 . . 0.5 . . mM . . . . 34395 1 3 'sodium acetate' [U-2H] . . . . . . 70 . . mM . . . . 34395 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34395 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-98% 13C; U-98% 15N] NECAP1, 0.5 mM [U-98% 13C; U-98% 15N] AP2 mu2 148-163, 70 mM [U-2H] sodium acetate, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 NECAP1 '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34395 2 2 'AP2 mu2 148-163' '[U-98% 13C; U-98% 15N]' . . 2 $entity_2 . . 0.5 . . mM . . . . 34395 2 3 'sodium acetate' [U-2H] . . . . . . 70 . . mM . . . . 34395 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34395 _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' 70 . mM 34395 1 pH 7.0 . pH 34395 1 pressure 1 . atm 34395 1 temperature 298 . K 34395 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34395 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34395 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34395 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34395 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34395 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34395 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34395 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34395 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34395 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34395 _Software.ID 4 _Software.Type . _Software.Name UNIO _Software.Version 2.8.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Herrmann . . 34395 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34395 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34395 _Software.ID 5 _Software.Type . _Software.Name Xplor-NIH _Software.Version 2.28 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34395 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34395 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 34395 _Software.ID 6 _Software.Type . _Software.Name Amber _Software.Version 11 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34395 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34395 6 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 34395 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34395 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34395 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34395 _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' . 600 . . . 34395 1 2 NMR_spectrometer_2 Bruker AVANCE . 600 . . . 34395 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 800 . . . 34395 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 34395 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34395 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34395 1 4 '2D 1H-1H NOESY (reject 15N,13C coupled 1H in F1, accept 15N,13C coupled 1H in F2) tau(m) 150ms' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 5 '2D 1H-1H NOESY (reject 15N,13C coupled 1H in F1 and F2) tau(m) 150ms' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 6 '2D 1H-1H TOCSY (reject 15N,13C coupled 1H in F2)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 7 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 8 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 9 '2D 1H-13C HSQC aliphatic (constant time)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 10 '2D 1H-13C HSQC aromatic (constant time)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 11 '2D 1H-1H NOESY (reject 15N,13C coupled 1H in F1, accept 13C coupled 1H in F2) tau(m) 150ms' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34395 1 13 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34395 1 14 '3D HCCH-COSY (1H,13C,1H)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34395 1 15 '3D HCCH-TOCSY (13C,13C,1H)' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34395 1 16 '3D 1H-15N NOESY tau(m) 150ms' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 17 '3D 1H-13C NOESY aliphatic tau(m) 150ms' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 18 '3D 1H-13C NOESY aliphatic tau(m) 150ms' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 19 '3D 1H-13C NOESY aromatic tau(m) 150ms' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 20 '3D 1H-13C NOESY aromatic tau(m) 150ms' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 21 '3D 1H-13C NOESY aliphatic (reject 15N,13C coupled 1H in F1) tau(m) 150ms' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 22 '3D 1H-13C NOESY aliphatic (reject 15N,13C coupled 1H in F1) tau(m) 150ms' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 23 '3D 1H-13C NOESY aromatic (reject 15N,13C coupled 1H in F1) tau(m) 150ms' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 1 24 '3D 1H-13C NOESY aromatic (reject 15N,13C coupled 1H in F1) tau(m) 150ms' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 34395 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 34395 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP protons . . . . ppm 0.0 external indirect 0.251449530 . . . . . 34395 1 H 1 TSP protons . . . . ppm 0.0 external direct 1.0 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . 34395 1 N 15 TSP protons . . . . ppm 0.0 external indirect 0.101329118 . . . . . 34395 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 34395 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34395 1 2 '2D 1H-13C HSQC aliphatic' . . . 34395 1 3 '2D 1H-13C HSQC aromatic' . . . 34395 1 4 '2D 1H-1H NOESY (reject 15N,13C coupled 1H in F1, accept 15N,13C coupled 1H in F2) tau(m) 150ms' . . . 34395 1 5 '2D 1H-1H NOESY (reject 15N,13C coupled 1H in F1 and F2) tau(m) 150ms' . . . 34395 1 6 '2D 1H-1H TOCSY (reject 15N,13C coupled 1H in F2)' . . . 34395 1 7 '2D 1H-13C HSQC aliphatic' . . . 34395 1 8 '2D 1H-13C HSQC aromatic' . . . 34395 1 9 '2D 1H-13C HSQC aliphatic (constant time)' . . . 34395 1 10 '2D 1H-13C HSQC aromatic (constant time)' . . . 34395 1 11 '2D 1H-1H NOESY (reject 15N,13C coupled 1H in F1, accept 13C coupled 1H in F2) tau(m) 150ms' . . . 34395 1 12 '3D HBHA(CO)NH' . . . 34395 1 13 '3D HNCACB' . . . 34395 1 14 '3D HCCH-COSY (1H,13C,1H)' . . . 34395 1 15 '3D HCCH-TOCSY (13C,13C,1H)' . . . 34395 1 16 '3D 1H-15N NOESY tau(m) 150ms' . . . 34395 1 17 '3D 1H-13C NOESY aliphatic tau(m) 150ms' . . . 34395 1 18 '3D 1H-13C NOESY aliphatic tau(m) 150ms' . . . 34395 1 19 '3D 1H-13C NOESY aromatic tau(m) 150ms' . . . 34395 1 20 '3D 1H-13C NOESY aromatic tau(m) 150ms' . . . 34395 1 21 '3D 1H-13C NOESY aliphatic (reject 15N,13C coupled 1H in F1) tau(m) 150ms' . . . 34395 1 22 '3D 1H-13C NOESY aliphatic (reject 15N,13C coupled 1H in F1) tau(m) 150ms' . . . 34395 1 23 '3D 1H-13C NOESY aromatic (reject 15N,13C coupled 1H in F1) tau(m) 150ms' . . . 34395 1 24 '3D 1H-13C NOESY aromatic (reject 15N,13C coupled 1H in F1) tau(m) 150ms' . . . 34395 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 1 1 GLY HA2 H 1 3.733 0.02 . 2 . . . . A -4 GLY HA2 . 34395 1 2 . 1 1 1 1 GLY HA3 H 1 3.773 0.02 . 2 . . . . A -4 GLY HA3 . 34395 1 3 . 1 1 1 1 GLY CA C 13 43.041 0.1 . 1 . . . . A -4 GLY CA . 34395 1 4 . 1 1 2 2 SER HA H 1 4.737 0.02 . 1 . . . . A -3 SER HA . 34395 1 5 . 1 1 2 2 SER HB2 H 1 3.791 0.02 . 1 . . . . A -3 SER HB2 . 34395 1 6 . 1 1 2 2 SER HB3 H 1 3.791 0.02 . 1 . . . . A -3 SER HB3 . 34395 1 7 . 1 1 2 2 SER CA C 13 56.378 0.1 . 1 . . . . A -3 SER CA . 34395 1 8 . 1 1 2 2 SER CB C 13 63.168 0.1 . 1 . . . . A -3 SER CB . 34395 1 9 . 1 1 3 3 PRO HA H 1 4.353 0.02 . 1 . . . . A -2 PRO HA . 34395 1 10 . 1 1 3 3 PRO HG2 H 1 1.937 0.02 . 1 . . . . A -2 PRO HG2 . 34395 1 11 . 1 1 3 3 PRO HG3 H 1 1.937 0.02 . 1 . . . . A -2 PRO HG3 . 34395 1 12 . 1 1 3 3 PRO HD2 H 1 3.748 0.02 . 2 . . . . A -2 PRO HD2 . 34395 1 13 . 1 1 3 3 PRO HD3 H 1 3.661 0.02 . 2 . . . . A -2 PRO HD3 . 34395 1 14 . 1 1 3 3 PRO CA C 13 63.560 0.1 . 1 . . . . A -2 PRO CA . 34395 1 15 . 1 1 3 3 PRO CG C 13 27.212 0.1 . 1 . . . . A -2 PRO CG . 34395 1 16 . 1 1 3 3 PRO CD C 13 50.707 0.1 . 1 . . . . A -2 PRO CD . 34395 1 17 . 1 1 4 4 ASN H H 1 8.368 0.02 . 1 . . . . A -1 ASN H . 34395 1 18 . 1 1 4 4 ASN HA H 1 4.595 0.02 . 1 . . . . A -1 ASN HA . 34395 1 19 . 1 1 4 4 ASN HB2 H 1 2.666 0.02 . 2 . . . . A -1 ASN HB2 . 34395 1 20 . 1 1 4 4 ASN HB3 H 1 2.759 0.02 . 2 . . . . A -1 ASN HB3 . 34395 1 21 . 1 1 4 4 ASN HD21 H 1 6.751 0.02 . 2 . . . . A -1 ASN HD21 . 34395 1 22 . 1 1 4 4 ASN HD22 H 1 7.510 0.02 . 2 . . . . A -1 ASN HD22 . 34395 1 23 . 1 1 4 4 ASN CA C 13 53.163 0.1 . 1 . . . . A -1 ASN CA . 34395 1 24 . 1 1 4 4 ASN CB C 13 38.585 0.1 . 1 . . . . A -1 ASN CB . 34395 1 25 . 1 1 4 4 ASN N N 15 118.116 0.1 . 1 . . . . A -1 ASN N . 34395 1 26 . 1 1 4 4 ASN ND2 N 15 112.763 0.1 . 1 . . . . A -1 ASN ND2 . 34395 1 27 . 1 1 5 5 SER H H 1 8.126 0.02 . 1 . . . . A 0 SER H . 34395 1 28 . 1 1 5 5 SER HA H 1 4.320 0.02 . 1 . . . . A 0 SER HA . 34395 1 29 . 1 1 5 5 SER HB2 H 1 3.760 0.02 . 2 . . . . A 0 SER HB2 . 34395 1 30 . 1 1 5 5 SER HB3 H 1 3.786 0.02 . 2 . . . . A 0 SER HB3 . 34395 1 31 . 1 1 5 5 SER CA C 13 58.472 0.1 . 1 . . . . A 0 SER CA . 34395 1 32 . 1 1 5 5 SER CB C 13 63.609 0.1 . 1 . . . . A 0 SER CB . 34395 1 33 . 1 1 5 5 SER N N 15 116.068 0.1 . 1 . . . . A 0 SER N . 34395 1 34 . 1 1 6 6 MET H H 1 8.259 0.02 . 1 . . . . A 1 MET H . 34395 1 35 . 1 1 6 6 MET HA H 1 4.394 0.02 . 1 . . . . A 1 MET HA . 34395 1 36 . 1 1 6 6 MET HG2 H 1 2.434 0.02 . 2 . . . . A 1 MET HG2 . 34395 1 37 . 1 1 6 6 MET HG3 H 1 2.511 0.02 . 2 . . . . A 1 MET HG3 . 34395 1 38 . 1 1 6 6 MET CA C 13 55.382 0.1 . 1 . . . . A 1 MET CA . 34395 1 39 . 1 1 6 6 MET CG C 13 31.941 0.1 . 1 . . . . A 1 MET CG . 34395 1 40 . 1 1 6 6 MET N N 15 121.786 0.1 . 1 . . . . A 1 MET N . 34395 1 41 . 1 1 7 7 ALA H H 1 8.138 0.02 . 1 . . . . A 2 ALA H . 34395 1 42 . 1 1 7 7 ALA HA H 1 4.246 0.02 . 1 . . . . A 2 ALA HA . 34395 1 43 . 1 1 7 7 ALA HB1 H 1 1.310 0.02 . 1 . . . . A 2 ALA HB1 . 34395 1 44 . 1 1 7 7 ALA HB2 H 1 1.310 0.02 . 1 . . . . A 2 ALA HB2 . 34395 1 45 . 1 1 7 7 ALA HB3 H 1 1.310 0.02 . 1 . . . . A 2 ALA HB3 . 34395 1 46 . 1 1 7 7 ALA CA C 13 52.673 0.1 . 1 . . . . A 2 ALA CA . 34395 1 47 . 1 1 7 7 ALA CB C 13 18.967 0.1 . 1 . . . . A 2 ALA CB . 34395 1 48 . 1 1 7 7 ALA N N 15 124.694 0.1 . 1 . . . . A 2 ALA N . 34395 1 49 . 1 1 8 8 THR H H 1 7.973 0.02 . 1 . . . . A 3 THR H . 34395 1 50 . 1 1 8 8 THR HA H 1 4.187 0.02 . 1 . . . . A 3 THR HA . 34395 1 51 . 1 1 8 8 THR HB H 1 4.125 0.02 . 1 . . . . A 3 THR HB . 34395 1 52 . 1 1 8 8 THR HG21 H 1 1.113 0.02 . 1 . . . . A 3 THR HG21 . 34395 1 53 . 1 1 8 8 THR HG22 H 1 1.113 0.02 . 1 . . . . A 3 THR HG22 . 34395 1 54 . 1 1 8 8 THR HG23 H 1 1.113 0.02 . 1 . . . . A 3 THR HG23 . 34395 1 55 . 1 1 8 8 THR CA C 13 61.983 0.1 . 1 . . . . A 3 THR CA . 34395 1 56 . 1 1 8 8 THR CB C 13 69.574 0.1 . 1 . . . . A 3 THR CB . 34395 1 57 . 1 1 8 8 THR CG2 C 13 21.530 0.1 . 1 . . . . A 3 THR CG2 . 34395 1 58 . 1 1 8 8 THR N N 15 113.026 0.1 . 1 . . . . A 3 THR N . 34395 1 59 . 1 1 9 9 GLU H H 1 8.288 0.02 . 1 . . . . A 4 GLU H . 34395 1 60 . 1 1 9 9 GLU HA H 1 4.197 0.02 . 1 . . . . A 4 GLU HA . 34395 1 61 . 1 1 9 9 GLU HG2 H 1 2.120 0.02 . 1 . . . . A 4 GLU HG2 . 34395 1 62 . 1 1 9 9 GLU HG3 H 1 2.120 0.02 . 1 . . . . A 4 GLU HG3 . 34395 1 63 . 1 1 9 9 GLU CA C 13 56.527 0.1 . 1 . . . . A 4 GLU CA . 34395 1 64 . 1 1 9 9 GLU CG C 13 36.371 0.1 . 1 . . . . A 4 GLU CG . 34395 1 65 . 1 1 9 9 GLU N N 15 122.744 0.1 . 1 . . . . A 4 GLU N . 34395 1 66 . 1 1 10 10 LEU H H 1 8.075 0.02 . 1 . . . . A 5 LEU H . 34395 1 67 . 1 1 10 10 LEU HA H 1 4.203 0.02 . 1 . . . . A 5 LEU HA . 34395 1 68 . 1 1 10 10 LEU HB2 H 1 1.523 0.02 . 2 . . . . A 5 LEU HB2 . 34395 1 69 . 1 1 10 10 LEU HB3 H 1 1.402 0.02 . 2 . . . . A 5 LEU HB3 . 34395 1 70 . 1 1 10 10 LEU HG H 1 1.511 0.02 . 1 . . . . A 5 LEU HG . 34395 1 71 . 1 1 10 10 LEU HD11 H 1 0.814 0.02 . 1 . . . . A 5 LEU HD11 . 34395 1 72 . 1 1 10 10 LEU HD12 H 1 0.814 0.02 . 1 . . . . A 5 LEU HD12 . 34395 1 73 . 1 1 10 10 LEU HD13 H 1 0.814 0.02 . 1 . . . . A 5 LEU HD13 . 34395 1 74 . 1 1 10 10 LEU HD21 H 1 0.759 0.02 . 1 . . . . A 5 LEU HD21 . 34395 1 75 . 1 1 10 10 LEU HD22 H 1 0.759 0.02 . 1 . . . . A 5 LEU HD22 . 34395 1 76 . 1 1 10 10 LEU HD23 H 1 0.759 0.02 . 1 . . . . A 5 LEU HD23 . 34395 1 77 . 1 1 10 10 LEU CA C 13 55.062 0.1 . 1 . . . . A 5 LEU CA . 34395 1 78 . 1 1 10 10 LEU CB C 13 42.297 0.1 . 1 . . . . A 5 LEU CB . 34395 1 79 . 1 1 10 10 LEU CG C 13 26.943 0.1 . 1 . . . . A 5 LEU CG . 34395 1 80 . 1 1 10 10 LEU CD1 C 13 24.842 0.1 . 2 . . . . A 5 LEU CD1 . 34395 1 81 . 1 1 10 10 LEU CD2 C 13 23.234 0.1 . 2 . . . . A 5 LEU CD2 . 34395 1 82 . 1 1 10 10 LEU N N 15 122.481 0.1 . 1 . . . . A 5 LEU N . 34395 1 83 . 1 1 11 11 GLU H H 1 8.085 0.02 . 1 . . . . A 6 GLU H . 34395 1 84 . 1 1 11 11 GLU HA H 1 4.170 0.02 . 1 . . . . A 6 GLU HA . 34395 1 85 . 1 1 11 11 GLU HB2 H 1 1.809 0.02 . 1 . . . . A 6 GLU HB2 . 34395 1 86 . 1 1 11 11 GLU HB3 H 1 1.809 0.02 . 1 . . . . A 6 GLU HB3 . 34395 1 87 . 1 1 11 11 GLU HG2 H 1 2.043 0.02 . 1 . . . . A 6 GLU HG2 . 34395 1 88 . 1 1 11 11 GLU HG3 H 1 2.043 0.02 . 1 . . . . A 6 GLU HG3 . 34395 1 89 . 1 1 11 11 GLU CA C 13 56.034 0.1 . 1 . . . . A 6 GLU CA . 34395 1 90 . 1 1 11 11 GLU CB C 13 30.517 0.1 . 1 . . . . A 6 GLU CB . 34395 1 91 . 1 1 11 11 GLU CG C 13 36.289 0.1 . 1 . . . . A 6 GLU CG . 34395 1 92 . 1 1 11 11 GLU N N 15 120.492 0.1 . 1 . . . . A 6 GLU N . 34395 1 93 . 1 1 12 12 TYR H H 1 7.960 0.02 . 1 . . . . A 7 TYR H . 34395 1 94 . 1 1 12 12 TYR HA H 1 4.435 0.02 . 1 . . . . A 7 TYR HA . 34395 1 95 . 1 1 12 12 TYR HB2 H 1 2.895 0.02 . 1 . . . . A 7 TYR HB2 . 34395 1 96 . 1 1 12 12 TYR HB3 H 1 2.895 0.02 . 1 . . . . A 7 TYR HB3 . 34395 1 97 . 1 1 12 12 TYR HD1 H 1 7.012 0.02 . 1 . . . . A 7 TYR HD1 . 34395 1 98 . 1 1 12 12 TYR HD2 H 1 7.012 0.02 . 1 . . . . A 7 TYR HD2 . 34395 1 99 . 1 1 12 12 TYR HE1 H 1 6.749 0.02 . 1 . . . . A 7 TYR HE1 . 34395 1 100 . 1 1 12 12 TYR HE2 H 1 6.749 0.02 . 1 . . . . A 7 TYR HE2 . 34395 1 101 . 1 1 12 12 TYR CA C 13 57.544 0.1 . 1 . . . . A 7 TYR CA . 34395 1 102 . 1 1 12 12 TYR CB C 13 39.201 0.1 . 1 . . . . A 7 TYR CB . 34395 1 103 . 1 1 12 12 TYR CD1 C 13 133.160 0.1 . 1 . . . . A 7 TYR CD1 . 34395 1 104 . 1 1 12 12 TYR CD2 C 13 133.160 0.1 . 1 . . . . A 7 TYR CD2 . 34395 1 105 . 1 1 12 12 TYR CE1 C 13 118.098 0.1 . 1 . . . . A 7 TYR CE1 . 34395 1 106 . 1 1 12 12 TYR CE2 C 13 118.098 0.1 . 1 . . . . A 7 TYR CE2 . 34395 1 107 . 1 1 12 12 TYR N N 15 121.113 0.1 . 1 . . . . A 7 TYR N . 34395 1 108 . 1 1 13 13 GLU H H 1 8.168 0.02 . 1 . . . . A 8 GLU H . 34395 1 109 . 1 1 13 13 GLU HA H 1 4.795 0.02 . 1 . . . . A 8 GLU HA . 34395 1 110 . 1 1 13 13 GLU HB2 H 1 1.688 0.02 . 2 . . . . A 8 GLU HB2 . 34395 1 111 . 1 1 13 13 GLU HB3 H 1 1.882 0.02 . 2 . . . . A 8 GLU HB3 . 34395 1 112 . 1 1 13 13 GLU HG2 H 1 1.968 0.02 . 1 . . . . A 8 GLU HG2 . 34395 1 113 . 1 1 13 13 GLU HG3 H 1 1.968 0.02 . 1 . . . . A 8 GLU HG3 . 34395 1 114 . 1 1 13 13 GLU CA C 13 55.011 0.1 . 1 . . . . A 8 GLU CA . 34395 1 115 . 1 1 13 13 GLU CB C 13 31.744 0.1 . 1 . . . . A 8 GLU CB . 34395 1 116 . 1 1 13 13 GLU CG C 13 36.530 0.1 . 1 . . . . A 8 GLU CG . 34395 1 117 . 1 1 13 13 GLU N N 15 123.962 0.1 . 1 . . . . A 8 GLU N . 34395 1 118 . 1 1 14 14 SER H H 1 8.548 0.02 . 1 . . . . A 9 SER H . 34395 1 119 . 1 1 14 14 SER HA H 1 4.558 0.02 . 1 . . . . A 9 SER HA . 34395 1 120 . 1 1 14 14 SER HB2 H 1 3.703 0.02 . 1 . . . . A 9 SER HB2 . 34395 1 121 . 1 1 14 14 SER HB3 H 1 3.703 0.02 . 1 . . . . A 9 SER HB3 . 34395 1 122 . 1 1 14 14 SER CA C 13 57.379 0.1 . 1 . . . . A 9 SER CA . 34395 1 123 . 1 1 14 14 SER CB C 13 64.530 0.1 . 1 . . . . A 9 SER CB . 34395 1 124 . 1 1 14 14 SER N N 15 120.196 0.1 . 1 . . . . A 9 SER N . 34395 1 125 . 1 1 15 15 VAL H H 1 8.665 0.02 . 1 . . . . A 10 VAL H . 34395 1 126 . 1 1 15 15 VAL HA H 1 4.043 0.02 . 1 . . . . A 10 VAL HA . 34395 1 127 . 1 1 15 15 VAL HB H 1 1.933 0.02 . 1 . . . . A 10 VAL HB . 34395 1 128 . 1 1 15 15 VAL HG11 H 1 0.761 0.02 . 2 . . . . A 10 VAL HG11 . 34395 1 129 . 1 1 15 15 VAL HG12 H 1 0.761 0.02 . 2 . . . . A 10 VAL HG12 . 34395 1 130 . 1 1 15 15 VAL HG13 H 1 0.761 0.02 . 2 . . . . A 10 VAL HG13 . 34395 1 131 . 1 1 15 15 VAL HG21 H 1 0.840 0.02 . 2 . . . . A 10 VAL HG21 . 34395 1 132 . 1 1 15 15 VAL HG22 H 1 0.840 0.02 . 2 . . . . A 10 VAL HG22 . 34395 1 133 . 1 1 15 15 VAL HG23 H 1 0.840 0.02 . 2 . . . . A 10 VAL HG23 . 34395 1 134 . 1 1 15 15 VAL CA C 13 62.917 0.1 . 1 . . . . A 10 VAL CA . 34395 1 135 . 1 1 15 15 VAL CB C 13 32.082 0.1 . 1 . . . . A 10 VAL CB . 34395 1 136 . 1 1 15 15 VAL CG1 C 13 21.755 0.1 . 2 . . . . A 10 VAL CG1 . 34395 1 137 . 1 1 15 15 VAL CG2 C 13 21.392 0.1 . 2 . . . . A 10 VAL CG2 . 34395 1 138 . 1 1 15 15 VAL N N 15 123.554 0.1 . 1 . . . . A 10 VAL N . 34395 1 139 . 1 1 16 16 LEU H H 1 9.125 0.02 . 1 . . . . A 11 LEU H . 34395 1 140 . 1 1 16 16 LEU HA H 1 4.242 0.02 . 1 . . . . A 11 LEU HA . 34395 1 141 . 1 1 16 16 LEU HB2 H 1 1.344 0.02 . 2 . . . . A 11 LEU HB2 . 34395 1 142 . 1 1 16 16 LEU HB3 H 1 1.185 0.02 . 2 . . . . A 11 LEU HB3 . 34395 1 143 . 1 1 16 16 LEU HG H 1 1.275 0.02 . 1 . . . . A 11 LEU HG . 34395 1 144 . 1 1 16 16 LEU HD11 H 1 0.395 0.02 . 2 . . . . A 11 LEU HD11 . 34395 1 145 . 1 1 16 16 LEU HD12 H 1 0.395 0.02 . 2 . . . . A 11 LEU HD12 . 34395 1 146 . 1 1 16 16 LEU HD13 H 1 0.395 0.02 . 2 . . . . A 11 LEU HD13 . 34395 1 147 . 1 1 16 16 LEU HD21 H 1 0.597 0.02 . 2 . . . . A 11 LEU HD21 . 34395 1 148 . 1 1 16 16 LEU HD22 H 1 0.597 0.02 . 2 . . . . A 11 LEU HD22 . 34395 1 149 . 1 1 16 16 LEU HD23 H 1 0.597 0.02 . 2 . . . . A 11 LEU HD23 . 34395 1 150 . 1 1 16 16 LEU CA C 13 55.819 0.1 . 1 . . . . A 11 LEU CA . 34395 1 151 . 1 1 16 16 LEU CB C 13 42.601 0.1 . 1 . . . . A 11 LEU CB . 34395 1 152 . 1 1 16 16 LEU CG C 13 27.317 0.1 . 1 . . . . A 11 LEU CG . 34395 1 153 . 1 1 16 16 LEU CD1 C 13 24.387 0.1 . 2 . . . . A 11 LEU CD1 . 34395 1 154 . 1 1 16 16 LEU CD2 C 13 22.099 0.1 . 2 . . . . A 11 LEU CD2 . 34395 1 155 . 1 1 16 16 LEU N N 15 126.863 0.1 . 1 . . . . A 11 LEU N . 34395 1 156 . 1 1 17 17 CYS H H 1 7.370 0.02 . 1 . . . . A 12 CYS H . 34395 1 157 . 1 1 17 17 CYS HA H 1 4.394 0.02 . 1 . . . . A 12 CYS HA . 34395 1 158 . 1 1 17 17 CYS HB2 H 1 3.119 0.02 . 2 . . . . A 12 CYS HB2 . 34395 1 159 . 1 1 17 17 CYS HB3 H 1 2.156 0.02 . 2 . . . . A 12 CYS HB3 . 34395 1 160 . 1 1 17 17 CYS CA C 13 58.500 0.1 . 1 . . . . A 12 CYS CA . 34395 1 161 . 1 1 17 17 CYS CB C 13 29.320 0.1 . 1 . . . . A 12 CYS CB . 34395 1 162 . 1 1 17 17 CYS N N 15 116.863 0.1 . 1 . . . . A 12 CYS N . 34395 1 163 . 1 1 18 18 VAL H H 1 8.710 0.02 . 1 . . . . A 13 VAL H . 34395 1 164 . 1 1 18 18 VAL HA H 1 4.837 0.02 . 1 . . . . A 13 VAL HA . 34395 1 165 . 1 1 18 18 VAL HB H 1 1.923 0.02 . 1 . . . . A 13 VAL HB . 34395 1 166 . 1 1 18 18 VAL HG11 H 1 0.826 0.02 . 2 . . . . A 13 VAL HG11 . 34395 1 167 . 1 1 18 18 VAL HG12 H 1 0.826 0.02 . 2 . . . . A 13 VAL HG12 . 34395 1 168 . 1 1 18 18 VAL HG13 H 1 0.826 0.02 . 2 . . . . A 13 VAL HG13 . 34395 1 169 . 1 1 18 18 VAL HG21 H 1 0.798 0.02 . 2 . . . . A 13 VAL HG21 . 34395 1 170 . 1 1 18 18 VAL HG22 H 1 0.798 0.02 . 2 . . . . A 13 VAL HG22 . 34395 1 171 . 1 1 18 18 VAL HG23 H 1 0.798 0.02 . 2 . . . . A 13 VAL HG23 . 34395 1 172 . 1 1 18 18 VAL CA C 13 61.556 0.1 . 1 . . . . A 13 VAL CA . 34395 1 173 . 1 1 18 18 VAL CB C 13 34.614 0.1 . 1 . . . . A 13 VAL CB . 34395 1 174 . 1 1 18 18 VAL CG1 C 13 21.387 0.1 . 2 . . . . A 13 VAL CG1 . 34395 1 175 . 1 1 18 18 VAL CG2 C 13 20.636 0.1 . 2 . . . . A 13 VAL CG2 . 34395 1 176 . 1 1 18 18 VAL N N 15 128.493 0.1 . 1 . . . . A 13 VAL N . 34395 1 177 . 1 1 19 19 LYS H H 1 9.564 0.02 . 1 . . . . A 14 LYS H . 34395 1 178 . 1 1 19 19 LYS HA H 1 5.164 0.02 . 1 . . . . A 14 LYS HA . 34395 1 179 . 1 1 19 19 LYS HB2 H 1 1.906 0.02 . 1 . . . . A 14 LYS HB2 . 34395 1 180 . 1 1 19 19 LYS HB3 H 1 1.906 0.02 . 1 . . . . A 14 LYS HB3 . 34395 1 181 . 1 1 19 19 LYS HG2 H 1 1.875 0.02 . 2 . . . . A 14 LYS HG2 . 34395 1 182 . 1 1 19 19 LYS HG3 H 1 1.720 0.02 . 2 . . . . A 14 LYS HG3 . 34395 1 183 . 1 1 19 19 LYS HD2 H 1 1.521 0.02 . 1 . . . . A 14 LYS HD2 . 34395 1 184 . 1 1 19 19 LYS HD3 H 1 1.521 0.02 . 1 . . . . A 14 LYS HD3 . 34395 1 185 . 1 1 19 19 LYS HE2 H 1 2.724 0.02 . 1 . . . . A 14 LYS HE2 . 34395 1 186 . 1 1 19 19 LYS HE3 H 1 2.724 0.02 . 1 . . . . A 14 LYS HE3 . 34395 1 187 . 1 1 19 19 LYS CA C 13 49.880 0.1 . 1 . . . . A 14 LYS CA . 34395 1 188 . 1 1 19 19 LYS CB C 13 34.424 0.1 . 1 . . . . A 14 LYS CB . 34395 1 189 . 1 1 19 19 LYS CG C 13 24.475 0.1 . 1 . . . . A 14 LYS CG . 34395 1 190 . 1 1 19 19 LYS CD C 13 29.204 0.1 . 1 . . . . A 14 LYS CD . 34395 1 191 . 1 1 19 19 LYS CE C 13 42.007 0.1 . 1 . . . . A 14 LYS CE . 34395 1 192 . 1 1 19 19 LYS N N 15 126.252 0.1 . 1 . . . . A 14 LYS N . 34395 1 193 . 1 1 20 20 PRO HA H 1 4.370 0.02 . 1 . . . . A 15 PRO HA . 34395 1 194 . 1 1 20 20 PRO HB2 H 1 2.147 0.02 . 1 . . . . A 15 PRO HB2 . 34395 1 195 . 1 1 20 20 PRO HB3 H 1 1.908 0.02 . 2 . . . . A 15 PRO HB3 . 34395 1 196 . 1 1 20 20 PRO HG2 H 1 2.040 0.02 . 2 . . . . A 15 PRO HG2 . 34395 1 197 . 1 1 20 20 PRO HG3 H 1 2.040 0.02 . 2 . . . . A 15 PRO HG3 . 34395 1 198 . 1 1 20 20 PRO HD2 H 1 3.693 0.02 . 2 . . . . A 15 PRO HD2 . 34395 1 199 . 1 1 20 20 PRO HD3 H 1 3.893 0.02 . 2 . . . . A 15 PRO HD3 . 34395 1 200 . 1 1 20 20 PRO CA C 13 63.542 0.1 . 1 . . . . A 15 PRO CA . 34395 1 201 . 1 1 20 20 PRO CB C 13 32.815 0.1 . 1 . . . . A 15 PRO CB . 34395 1 202 . 1 1 20 20 PRO CG C 13 26.703 0.1 . 1 . . . . A 15 PRO CG . 34395 1 203 . 1 1 20 20 PRO CD C 13 51.188 0.1 . 1 . . . . A 15 PRO CD . 34395 1 204 . 1 1 21 21 ASP H H 1 7.813 0.02 . 1 . . . . A 16 ASP H . 34395 1 205 . 1 1 21 21 ASP HA H 1 4.961 0.02 . 1 . . . . A 16 ASP HA . 34395 1 206 . 1 1 21 21 ASP HB2 H 1 2.514 0.02 . 1 . . . . A 16 ASP HB2 . 34395 1 207 . 1 1 21 21 ASP HB3 H 1 2.409 0.02 . 1 . . . . A 16 ASP HB3 . 34395 1 208 . 1 1 21 21 ASP CA C 13 54.133 0.1 . 1 . . . . A 16 ASP CA . 34395 1 209 . 1 1 21 21 ASP CB C 13 43.504 0.1 . 1 . . . . A 16 ASP CB . 34395 1 210 . 1 1 21 21 ASP N N 15 115.740 0.1 . 1 . . . . A 16 ASP N . 34395 1 211 . 1 1 22 22 VAL H H 1 8.823 0.02 . 1 . . . . A 17 VAL H . 34395 1 212 . 1 1 22 22 VAL HA H 1 4.279 0.02 . 1 . . . . A 17 VAL HA . 34395 1 213 . 1 1 22 22 VAL HB H 1 1.614 0.02 . 1 . . . . A 17 VAL HB . 34395 1 214 . 1 1 22 22 VAL HG11 H 1 0.506 0.02 . 2 . . . . A 17 VAL HG11 . 34395 1 215 . 1 1 22 22 VAL HG12 H 1 0.506 0.02 . 2 . . . . A 17 VAL HG12 . 34395 1 216 . 1 1 22 22 VAL HG13 H 1 0.506 0.02 . 2 . . . . A 17 VAL HG13 . 34395 1 217 . 1 1 22 22 VAL HG21 H 1 0.421 0.02 . 2 . . . . A 17 VAL HG21 . 34395 1 218 . 1 1 22 22 VAL HG22 H 1 0.421 0.02 . 2 . . . . A 17 VAL HG22 . 34395 1 219 . 1 1 22 22 VAL HG23 H 1 0.421 0.02 . 2 . . . . A 17 VAL HG23 . 34395 1 220 . 1 1 22 22 VAL CA C 13 60.613 0.1 . 1 . . . . A 17 VAL CA . 34395 1 221 . 1 1 22 22 VAL CB C 13 34.735 0.1 . 1 . . . . A 17 VAL CB . 34395 1 222 . 1 1 22 22 VAL CG1 C 13 20.827 0.1 . 2 . . . . A 17 VAL CG1 . 34395 1 223 . 1 1 22 22 VAL CG2 C 13 22.231 0.1 . 2 . . . . A 17 VAL CG2 . 34395 1 224 . 1 1 22 22 VAL N N 15 125.710 0.1 . 1 . . . . A 17 VAL N . 34395 1 225 . 1 1 23 23 SER H H 1 7.993 0.02 . 1 . . . . A 18 SER H . 34395 1 226 . 1 1 23 23 SER HA H 1 4.980 0.02 . 1 . . . . A 18 SER HA . 34395 1 227 . 1 1 23 23 SER HB2 H 1 3.554 0.02 . 2 . . . . A 18 SER HB2 . 34395 1 228 . 1 1 23 23 SER HB3 H 1 3.394 0.02 . 2 . . . . A 18 SER HB3 . 34395 1 229 . 1 1 23 23 SER CA C 13 57.732 0.1 . 1 . . . . A 18 SER CA . 34395 1 230 . 1 1 23 23 SER CB C 13 66.021 0.1 . 1 . . . . A 18 SER CB . 34395 1 231 . 1 1 23 23 SER N N 15 120.251 0.1 . 1 . . . . A 18 SER N . 34395 1 232 . 1 1 24 24 VAL H H 1 8.464 0.02 . 1 . . . . A 19 VAL H . 34395 1 233 . 1 1 24 24 VAL HA H 1 5.038 0.02 . 1 . . . . A 19 VAL HA . 34395 1 234 . 1 1 24 24 VAL HB H 1 1.929 0.02 . 1 . . . . A 19 VAL HB . 34395 1 235 . 1 1 24 24 VAL HG11 H 1 0.822 0.02 . 2 . . . . A 19 VAL HG11 . 34395 1 236 . 1 1 24 24 VAL HG12 H 1 0.822 0.02 . 2 . . . . A 19 VAL HG12 . 34395 1 237 . 1 1 24 24 VAL HG13 H 1 0.822 0.02 . 2 . . . . A 19 VAL HG13 . 34395 1 238 . 1 1 24 24 VAL HG21 H 1 0.903 0.02 . 2 . . . . A 19 VAL HG21 . 34395 1 239 . 1 1 24 24 VAL HG22 H 1 0.903 0.02 . 2 . . . . A 19 VAL HG22 . 34395 1 240 . 1 1 24 24 VAL HG23 H 1 0.903 0.02 . 2 . . . . A 19 VAL HG23 . 34395 1 241 . 1 1 24 24 VAL CA C 13 60.178 0.1 . 1 . . . . A 19 VAL CA . 34395 1 242 . 1 1 24 24 VAL CB C 13 34.906 0.1 . 1 . . . . A 19 VAL CB . 34395 1 243 . 1 1 24 24 VAL CG1 C 13 21.135 0.1 . 2 . . . . A 19 VAL CG1 . 34395 1 244 . 1 1 24 24 VAL CG2 C 13 24.491 0.1 . 2 . . . . A 19 VAL CG2 . 34395 1 245 . 1 1 24 24 VAL N N 15 121.719 0.1 . 1 . . . . A 19 VAL N . 34395 1 246 . 1 1 25 25 TYR H H 1 8.966 0.02 . 1 . . . . A 20 TYR H . 34395 1 247 . 1 1 25 25 TYR HA H 1 4.794 0.02 . 1 . . . . A 20 TYR HA . 34395 1 248 . 1 1 25 25 TYR HB2 H 1 2.703 0.02 . 2 . . . . A 20 TYR HB2 . 34395 1 249 . 1 1 25 25 TYR HB3 H 1 1.746 0.02 . 2 . . . . A 20 TYR HB3 . 34395 1 250 . 1 1 25 25 TYR HD1 H 1 7.008 0.02 . 1 . . . . A 20 TYR HD1 . 34395 1 251 . 1 1 25 25 TYR HD2 H 1 7.008 0.02 . 1 . . . . A 20 TYR HD2 . 34395 1 252 . 1 1 25 25 TYR HE1 H 1 6.675 0.02 . 1 . . . . A 20 TYR HE1 . 34395 1 253 . 1 1 25 25 TYR HE2 H 1 6.675 0.02 . 1 . . . . A 20 TYR HE2 . 34395 1 254 . 1 1 25 25 TYR CA C 13 56.327 0.1 . 1 . . . . A 20 TYR CA . 34395 1 255 . 1 1 25 25 TYR CB C 13 41.392 0.1 . 1 . . . . A 20 TYR CB . 34395 1 256 . 1 1 25 25 TYR CD1 C 13 133.844 0.1 . 1 . . . . A 20 TYR CD1 . 34395 1 257 . 1 1 25 25 TYR CD2 C 13 133.844 0.1 . 1 . . . . A 20 TYR CD2 . 34395 1 258 . 1 1 25 25 TYR CE1 C 13 118.098 0.1 . 1 . . . . A 20 TYR CE1 . 34395 1 259 . 1 1 25 25 TYR CE2 C 13 118.098 0.1 . 1 . . . . A 20 TYR CE2 . 34395 1 260 . 1 1 25 25 TYR N N 15 125.065 0.1 . 1 . . . . A 20 TYR N . 34395 1 261 . 1 1 26 26 ARG H H 1 8.734 0.02 . 1 . . . . A 21 ARG H . 34395 1 262 . 1 1 26 26 ARG HA H 1 4.409 0.02 . 1 . . . . A 21 ARG HA . 34395 1 263 . 1 1 26 26 ARG HB2 H 1 1.726 0.02 . 2 . . . . A 21 ARG HB2 . 34395 1 264 . 1 1 26 26 ARG HB3 H 1 1.625 0.02 . 2 . . . . A 21 ARG HB3 . 34395 1 265 . 1 1 26 26 ARG HG2 H 1 1.413 0.02 . 2 . . . . A 21 ARG HG2 . 34395 1 266 . 1 1 26 26 ARG HG3 H 1 1.445 0.02 . 2 . . . . A 21 ARG HG3 . 34395 1 267 . 1 1 26 26 ARG CA C 13 55.939 0.1 . 1 . . . . A 21 ARG CA . 34395 1 268 . 1 1 26 26 ARG CB C 13 29.021 0.1 . 1 . . . . A 21 ARG CB . 34395 1 269 . 1 1 26 26 ARG CG C 13 27.240 0.1 . 1 . . . . A 21 ARG CG . 34395 1 270 . 1 1 26 26 ARG N N 15 124.075 0.1 . 1 . . . . A 21 ARG N . 34395 1 271 . 1 1 27 27 ILE H H 1 7.917 0.02 . 1 . . . . A 22 ILE H . 34395 1 272 . 1 1 27 27 ILE HB H 1 1.458 0.02 . 1 . . . . A 22 ILE HB . 34395 1 273 . 1 1 27 27 ILE HG12 H 1 0.545 0.02 . 2 . . . . A 22 ILE HG12 . 34395 1 274 . 1 1 27 27 ILE HG13 H 1 1.155 0.02 . 2 . . . . A 22 ILE HG13 . 34395 1 275 . 1 1 27 27 ILE HG21 H 1 -0.408 0.02 . 1 . . . . A 22 ILE HG21 . 34395 1 276 . 1 1 27 27 ILE HG22 H 1 -0.408 0.02 . 1 . . . . A 22 ILE HG22 . 34395 1 277 . 1 1 27 27 ILE HG23 H 1 -0.408 0.02 . 1 . . . . A 22 ILE HG23 . 34395 1 278 . 1 1 27 27 ILE HD11 H 1 0.231 0.02 . 1 . . . . A 22 ILE HD11 . 34395 1 279 . 1 1 27 27 ILE HD12 H 1 0.231 0.02 . 1 . . . . A 22 ILE HD12 . 34395 1 280 . 1 1 27 27 ILE HD13 H 1 0.231 0.02 . 1 . . . . A 22 ILE HD13 . 34395 1 281 . 1 1 27 27 ILE CA C 13 58.746 0.1 . 1 . . . . A 22 ILE CA . 34395 1 282 . 1 1 27 27 ILE CB C 13 38.509 0.1 . 1 . . . . A 22 ILE CB . 34395 1 283 . 1 1 27 27 ILE CG1 C 13 25.038 0.1 . 1 . . . . A 22 ILE CG1 . 34395 1 284 . 1 1 27 27 ILE CG2 C 13 16.129 0.1 . 1 . . . . A 22 ILE CG2 . 34395 1 285 . 1 1 27 27 ILE CD1 C 13 14.707 0.1 . 1 . . . . A 22 ILE CD1 . 34395 1 286 . 1 1 27 27 ILE N N 15 119.940 0.1 . 1 . . . . A 22 ILE N . 34395 1 287 . 1 1 28 28 PRO HA H 1 4.771 0.02 . 1 . . . . A 23 PRO HA . 34395 1 288 . 1 1 28 28 PRO HB2 H 1 1.945 0.02 . 2 . . . . A 23 PRO HB2 . 34395 1 289 . 1 1 28 28 PRO HB3 H 1 2.361 0.02 . 2 . . . . A 23 PRO HB3 . 34395 1 290 . 1 1 28 28 PRO HG2 H 1 2.134 0.02 . 2 . . . . A 23 PRO HG2 . 34395 1 291 . 1 1 28 28 PRO HG3 H 1 2.058 0.02 . 2 . . . . A 23 PRO HG3 . 34395 1 292 . 1 1 28 28 PRO HD2 H 1 3.753 0.02 . 2 . . . . A 23 PRO HD2 . 34395 1 293 . 1 1 28 28 PRO HD3 H 1 3.663 0.02 . 2 . . . . A 23 PRO HD3 . 34395 1 294 . 1 1 28 28 PRO CA C 13 61.199 0.1 . 1 . . . . A 23 PRO CA . 34395 1 295 . 1 1 28 28 PRO CB C 13 30.682 0.1 . 1 . . . . A 23 PRO CB . 34395 1 296 . 1 1 28 28 PRO CG C 13 27.088 0.1 . 1 . . . . A 23 PRO CG . 34395 1 297 . 1 1 28 28 PRO CD C 13 50.862 0.1 . 1 . . . . A 23 PRO CD . 34395 1 298 . 1 1 29 29 PRO HA H 1 4.410 0.02 . 1 . . . . A 24 PRO HA . 34395 1 299 . 1 1 29 29 PRO HB2 H 1 2.212 0.02 . 2 . . . . A 24 PRO HB2 . 34395 1 300 . 1 1 29 29 PRO HB3 H 1 1.758 0.02 . 2 . . . . A 24 PRO HB3 . 34395 1 301 . 1 1 29 29 PRO HG2 H 1 1.994 0.02 . 1 . . . . A 24 PRO HG2 . 34395 1 302 . 1 1 29 29 PRO HG3 H 1 1.994 0.02 . 1 . . . . A 24 PRO HG3 . 34395 1 303 . 1 1 29 29 PRO HD2 H 1 3.553 0.02 . 2 . . . . A 24 PRO HD2 . 34395 1 304 . 1 1 29 29 PRO HD3 H 1 3.770 0.02 . 2 . . . . A 24 PRO HD3 . 34395 1 305 . 1 1 29 29 PRO CA C 13 62.744 0.1 . 1 . . . . A 24 PRO CA . 34395 1 306 . 1 1 29 29 PRO CB C 13 31.920 0.1 . 1 . . . . A 24 PRO CB . 34395 1 307 . 1 1 29 29 PRO CG C 13 27.586 0.1 . 1 . . . . A 24 PRO CG . 34395 1 308 . 1 1 29 29 PRO CD C 13 50.308 0.1 . 1 . . . . A 24 PRO CD . 34395 1 309 . 1 1 30 30 ARG H H 1 8.139 0.02 . 1 . . . . A 25 ARG H . 34395 1 310 . 1 1 30 30 ARG HA H 1 3.943 0.02 . 1 . . . . A 25 ARG HA . 34395 1 311 . 1 1 30 30 ARG HB2 H 1 1.434 0.02 . 1 . . . . A 25 ARG HB2 . 34395 1 312 . 1 1 30 30 ARG HB3 H 1 1.434 0.02 . 1 . . . . A 25 ARG HB3 . 34395 1 313 . 1 1 30 30 ARG HG2 H 1 1.096 0.02 . 1 . . . . A 25 ARG HG2 . 34395 1 314 . 1 1 30 30 ARG HG3 H 1 1.096 0.02 . 1 . . . . A 25 ARG HG3 . 34395 1 315 . 1 1 30 30 ARG HD2 H 1 2.794 0.02 . 2 . . . . A 25 ARG HD2 . 34395 1 316 . 1 1 30 30 ARG HD3 H 1 2.600 0.02 . 2 . . . . A 25 ARG HD3 . 34395 1 317 . 1 1 30 30 ARG CA C 13 56.184 0.1 . 1 . . . . A 25 ARG CA . 34395 1 318 . 1 1 30 30 ARG CB C 13 30.996 0.1 . 1 . . . . A 25 ARG CB . 34395 1 319 . 1 1 30 30 ARG CG C 13 26.560 0.1 . 1 . . . . A 25 ARG CG . 34395 1 320 . 1 1 30 30 ARG CD C 13 43.295 0.1 . 1 . . . . A 25 ARG CD . 34395 1 321 . 1 1 30 30 ARG N N 15 122.422 0.1 . 1 . . . . A 25 ARG N . 34395 1 322 . 1 1 31 31 ALA H H 1 8.370 0.02 . 1 . . . . A 26 ALA H . 34395 1 323 . 1 1 31 31 ALA HA H 1 4.295 0.02 . 1 . . . . A 26 ALA HA . 34395 1 324 . 1 1 31 31 ALA HB1 H 1 1.303 0.02 . 1 . . . . A 26 ALA HB1 . 34395 1 325 . 1 1 31 31 ALA HB2 H 1 1.303 0.02 . 1 . . . . A 26 ALA HB2 . 34395 1 326 . 1 1 31 31 ALA HB3 H 1 1.303 0.02 . 1 . . . . A 26 ALA HB3 . 34395 1 327 . 1 1 31 31 ALA CA C 13 51.761 0.1 . 1 . . . . A 26 ALA CA . 34395 1 328 . 1 1 31 31 ALA CB C 13 19.347 0.1 . 1 . . . . A 26 ALA CB . 34395 1 329 . 1 1 31 31 ALA N N 15 127.225 0.1 . 1 . . . . A 26 ALA N . 34395 1 330 . 1 1 32 32 SER H H 1 8.155 0.02 . 1 . . . . A 27 SER H . 34395 1 331 . 1 1 32 32 SER HA H 1 4.149 0.02 . 1 . . . . A 27 SER HA . 34395 1 332 . 1 1 32 32 SER HB2 H 1 3.763 0.02 . 1 . . . . A 27 SER HB2 . 34395 1 333 . 1 1 32 32 SER HB3 H 1 3.763 0.02 . 1 . . . . A 27 SER HB3 . 34395 1 334 . 1 1 32 32 SER CA C 13 58.520 0.1 . 1 . . . . A 27 SER CA . 34395 1 335 . 1 1 32 32 SER CB C 13 63.167 0.1 . 1 . . . . A 27 SER CB . 34395 1 336 . 1 1 32 32 SER N N 15 114.419 0.1 . 1 . . . . A 27 SER N . 34395 1 337 . 1 1 33 33 ASN H H 1 8.352 0.02 . 1 . . . . A 28 ASN H . 34395 1 338 . 1 1 33 33 ASN HA H 1 4.438 0.02 . 1 . . . . A 28 ASN HA . 34395 1 339 . 1 1 33 33 ASN HB2 H 1 2.765 0.02 . 2 . . . . A 28 ASN HB2 . 34395 1 340 . 1 1 33 33 ASN HB3 H 1 2.644 0.02 . 2 . . . . A 28 ASN HB3 . 34395 1 341 . 1 1 33 33 ASN HD21 H 1 7.462 0.02 . 2 . . . . A 28 ASN HD21 . 34395 1 342 . 1 1 33 33 ASN HD22 H 1 6.719 0.02 . 2 . . . . A 28 ASN HD22 . 34395 1 343 . 1 1 33 33 ASN CA C 13 53.218 0.1 . 1 . . . . A 28 ASN CA . 34395 1 344 . 1 1 33 33 ASN CB C 13 37.715 0.1 . 1 . . . . A 28 ASN CB . 34395 1 345 . 1 1 33 33 ASN N N 15 117.958 0.1 . 1 . . . . A 28 ASN N . 34395 1 346 . 1 1 33 33 ASN ND2 N 15 112.325 0.1 . 1 . . . . A 28 ASN ND2 . 34395 1 347 . 1 1 34 34 ARG H H 1 7.642 0.02 . 1 . . . . A 29 ARG H . 34395 1 348 . 1 1 34 34 ARG HA H 1 4.218 0.02 . 1 . . . . A 29 ARG HA . 34395 1 349 . 1 1 34 34 ARG HB2 H 1 1.725 0.02 . 2 . . . . A 29 ARG HB2 . 34395 1 350 . 1 1 34 34 ARG HB3 H 1 1.579 0.02 . 2 . . . . A 29 ARG HB3 . 34395 1 351 . 1 1 34 34 ARG HG2 H 1 1.472 0.02 . 1 . . . . A 29 ARG HG2 . 34395 1 352 . 1 1 34 34 ARG HG3 H 1 1.472 0.02 . 1 . . . . A 29 ARG HG3 . 34395 1 353 . 1 1 34 34 ARG HD2 H 1 3.035 0.02 . 1 . . . . A 29 ARG HD2 . 34395 1 354 . 1 1 34 34 ARG HD3 H 1 3.035 0.02 . 1 . . . . A 29 ARG HD3 . 34395 1 355 . 1 1 34 34 ARG CA C 13 55.712 0.1 . 1 . . . . A 29 ARG CA . 34395 1 356 . 1 1 34 34 ARG CB C 13 31.535 0.1 . 1 . . . . A 29 ARG CB . 34395 1 357 . 1 1 34 34 ARG CG C 13 26.590 0.1 . 1 . . . . A 29 ARG CG . 34395 1 358 . 1 1 34 34 ARG CD C 13 43.142 0.1 . 1 . . . . A 29 ARG CD . 34395 1 359 . 1 1 34 34 ARG N N 15 118.610 0.1 . 1 . . . . A 29 ARG N . 34395 1 360 . 1 1 35 35 GLY H H 1 8.094 0.02 . 1 . . . . A 30 GLY H . 34395 1 361 . 1 1 35 35 GLY HA2 H 1 3.708 0.02 . 1 . . . . A 30 GLY HA2 . 34395 1 362 . 1 1 35 35 GLY HA3 H 1 3.708 0.02 . 1 . . . . A 30 GLY HA3 . 34395 1 363 . 1 1 35 35 GLY CA C 13 44.357 0.1 . 1 . . . . A 30 GLY CA . 34395 1 364 . 1 1 35 35 GLY N N 15 108.096 0.1 . 1 . . . . A 30 GLY N . 34395 1 365 . 1 1 36 36 TYR H H 1 8.849 0.02 . 1 . . . . A 31 TYR H . 34395 1 366 . 1 1 36 36 TYR HA H 1 4.433 0.02 . 1 . . . . A 31 TYR HA . 34395 1 367 . 1 1 36 36 TYR HB2 H 1 2.940 0.02 . 2 . . . . A 31 TYR HB2 . 34395 1 368 . 1 1 36 36 TYR HB3 H 1 2.791 0.02 . 2 . . . . A 31 TYR HB3 . 34395 1 369 . 1 1 36 36 TYR HD1 H 1 7.308 0.02 . 1 . . . . A 31 TYR HD1 . 34395 1 370 . 1 1 36 36 TYR HD2 H 1 7.308 0.02 . 1 . . . . A 31 TYR HD2 . 34395 1 371 . 1 1 36 36 TYR HE1 H 1 6.717 0.02 . 1 . . . . A 31 TYR HE1 . 34395 1 372 . 1 1 36 36 TYR HE2 H 1 6.717 0.02 . 1 . . . . A 31 TYR HE2 . 34395 1 373 . 1 1 36 36 TYR CA C 13 58.972 0.1 . 1 . . . . A 31 TYR CA . 34395 1 374 . 1 1 36 36 TYR CB C 13 41.475 0.1 . 1 . . . . A 31 TYR CB . 34395 1 375 . 1 1 36 36 TYR CD1 C 13 133.349 0.1 . 1 . . . . A 31 TYR CD1 . 34395 1 376 . 1 1 36 36 TYR CD2 C 13 133.349 0.1 . 1 . . . . A 31 TYR CD2 . 34395 1 377 . 1 1 36 36 TYR CE1 C 13 118.087 0.1 . 1 . . . . A 31 TYR CE1 . 34395 1 378 . 1 1 36 36 TYR CE2 C 13 118.087 0.1 . 1 . . . . A 31 TYR CE2 . 34395 1 379 . 1 1 36 36 TYR N N 15 120.132 0.1 . 1 . . . . A 31 TYR N . 34395 1 380 . 1 1 37 37 ARG H H 1 8.357 0.02 . 1 . . . . A 32 ARG H . 34395 1 381 . 1 1 37 37 ARG HA H 1 4.289 0.02 . 1 . . . . A 32 ARG HA . 34395 1 382 . 1 1 37 37 ARG HB2 H 1 1.362 0.02 . 2 . . . . A 32 ARG HB2 . 34395 1 383 . 1 1 37 37 ARG HB3 H 1 1.457 0.02 . 2 . . . . A 32 ARG HB3 . 34395 1 384 . 1 1 37 37 ARG HG2 H 1 1.185 0.02 . 2 . . . . A 32 ARG HG2 . 34395 1 385 . 1 1 37 37 ARG HG3 H 1 1.279 0.02 . 2 . . . . A 32 ARG HG3 . 34395 1 386 . 1 1 37 37 ARG HD2 H 1 2.888 0.02 . 1 . . . . A 32 ARG HD2 . 34395 1 387 . 1 1 37 37 ARG HD3 H 1 2.888 0.02 . 1 . . . . A 32 ARG HD3 . 34395 1 388 . 1 1 37 37 ARG CA C 13 55.374 0.1 . 1 . . . . A 32 ARG CA . 34395 1 389 . 1 1 37 37 ARG CB C 13 31.726 0.1 . 1 . . . . A 32 ARG CB . 34395 1 390 . 1 1 37 37 ARG CG C 13 26.890 0.1 . 1 . . . . A 32 ARG CG . 34395 1 391 . 1 1 37 37 ARG CD C 13 43.527 0.1 . 1 . . . . A 32 ARG CD . 34395 1 392 . 1 1 37 37 ARG N N 15 121.969 0.1 . 1 . . . . A 32 ARG N . 34395 1 393 . 1 1 38 38 ALA H H 1 10.519 0.02 . 1 . . . . A 33 ALA H . 34395 1 394 . 1 1 38 38 ALA HA H 1 1.459 0.02 . 1 . . . . A 33 ALA HA . 34395 1 395 . 1 1 38 38 ALA HB1 H 1 -0.126 0.02 . 1 . . . . A 33 ALA HB1 . 34395 1 396 . 1 1 38 38 ALA HB2 H 1 -0.126 0.02 . 1 . . . . A 33 ALA HB2 . 34395 1 397 . 1 1 38 38 ALA HB3 H 1 -0.126 0.02 . 1 . . . . A 33 ALA HB3 . 34395 1 398 . 1 1 38 38 ALA CA C 13 52.944 0.1 . 1 . . . . A 33 ALA CA . 34395 1 399 . 1 1 38 38 ALA CB C 13 16.834 0.1 . 1 . . . . A 33 ALA CB . 34395 1 400 . 1 1 38 38 ALA N N 15 132.162 0.1 . 1 . . . . A 33 ALA N . 34395 1 401 . 1 1 39 39 SER H H 1 8.918 0.02 . 1 . . . . A 34 SER H . 34395 1 402 . 1 1 39 39 SER HA H 1 3.671 0.02 . 1 . . . . A 34 SER HA . 34395 1 403 . 1 1 39 39 SER HB2 H 1 3.534 0.02 . 2 . . . . A 34 SER HB2 . 34395 1 404 . 1 1 39 39 SER HB3 H 1 3.661 0.02 . 2 . . . . A 34 SER HB3 . 34395 1 405 . 1 1 39 39 SER CA C 13 60.475 0.1 . 1 . . . . A 34 SER CA . 34395 1 406 . 1 1 39 39 SER CB C 13 62.764 0.1 . 1 . . . . A 34 SER CB . 34395 1 407 . 1 1 39 39 SER N N 15 110.281 0.1 . 1 . . . . A 34 SER N . 34395 1 408 . 1 1 40 40 ASP H H 1 7.055 0.02 . 1 . . . . A 35 ASP H . 34395 1 409 . 1 1 40 40 ASP HA H 1 4.562 0.02 . 1 . . . . A 35 ASP HA . 34395 1 410 . 1 1 40 40 ASP HB2 H 1 2.827 0.02 . 1 . . . . A 35 ASP HB2 . 34395 1 411 . 1 1 40 40 ASP HB3 H 1 2.827 0.02 . 1 . . . . A 35 ASP HB3 . 34395 1 412 . 1 1 40 40 ASP CA C 13 54.933 0.1 . 1 . . . . A 35 ASP CA . 34395 1 413 . 1 1 40 40 ASP CB C 13 41.032 0.1 . 1 . . . . A 35 ASP CB . 34395 1 414 . 1 1 40 40 ASP N N 15 119.087 0.1 . 1 . . . . A 35 ASP N . 34395 1 415 . 1 1 41 41 TRP H H 1 7.844 0.02 . 1 . . . . A 36 TRP H . 34395 1 416 . 1 1 41 41 TRP HA H 1 4.775 0.02 . 1 . . . . A 36 TRP HA . 34395 1 417 . 1 1 41 41 TRP HB2 H 1 2.920 0.02 . 1 . . . . A 36 TRP HB2 . 34395 1 418 . 1 1 41 41 TRP HB3 H 1 2.771 0.02 . 1 . . . . A 36 TRP HB3 . 34395 1 419 . 1 1 41 41 TRP HD1 H 1 6.506 0.02 . 1 . . . . A 36 TRP HD1 . 34395 1 420 . 1 1 41 41 TRP HE1 H 1 9.664 0.02 . 1 . . . . A 36 TRP HE1 . 34395 1 421 . 1 1 41 41 TRP HE3 H 1 6.411 0.02 . 1 . . . . A 36 TRP HE3 . 34395 1 422 . 1 1 41 41 TRP HZ2 H 1 6.554 0.02 . 1 . . . . A 36 TRP HZ2 . 34395 1 423 . 1 1 41 41 TRP HZ3 H 1 6.819 0.02 . 1 . . . . A 36 TRP HZ3 . 34395 1 424 . 1 1 41 41 TRP HH2 H 1 6.863 0.02 . 1 . . . . A 36 TRP HH2 . 34395 1 425 . 1 1 41 41 TRP CA C 13 53.679 0.1 . 1 . . . . A 36 TRP CA . 34395 1 426 . 1 1 41 41 TRP CB C 13 29.301 0.1 . 1 . . . . A 36 TRP CB . 34395 1 427 . 1 1 41 41 TRP CD1 C 13 123.931 0.1 . 1 . . . . A 36 TRP CD1 . 34395 1 428 . 1 1 41 41 TRP CE3 C 13 120.888 0.1 . 1 . . . . A 36 TRP CE3 . 34395 1 429 . 1 1 41 41 TRP CZ2 C 13 113.069 0.1 . 1 . . . . A 36 TRP CZ2 . 34395 1 430 . 1 1 41 41 TRP CZ3 C 13 120.364 0.1 . 1 . . . . A 36 TRP CZ3 . 34395 1 431 . 1 1 41 41 TRP CH2 C 13 124.567 0.1 . 1 . . . . A 36 TRP CH2 . 34395 1 432 . 1 1 41 41 TRP N N 15 124.096 0.1 . 1 . . . . A 36 TRP N . 34395 1 433 . 1 1 41 41 TRP NE1 N 15 126.632 0.1 . 1 . . . . A 36 TRP NE1 . 34395 1 434 . 1 1 42 42 LYS H H 1 8.870 0.02 . 1 . . . . A 37 LYS H . 34395 1 435 . 1 1 42 42 LYS HA H 1 4.510 0.02 . 1 . . . . A 37 LYS HA . 34395 1 436 . 1 1 42 42 LYS HB2 H 1 1.880 0.02 . 1 . . . . A 37 LYS HB2 . 34395 1 437 . 1 1 42 42 LYS HB3 H 1 1.880 0.02 . 1 . . . . A 37 LYS HB3 . 34395 1 438 . 1 1 42 42 LYS HG2 H 1 1.442 0.02 . 2 . . . . A 37 LYS HG2 . 34395 1 439 . 1 1 42 42 LYS HG3 H 1 1.507 0.02 . 2 . . . . A 37 LYS HG3 . 34395 1 440 . 1 1 42 42 LYS HD2 H 1 1.685 0.02 . 1 . . . . A 37 LYS HD2 . 34395 1 441 . 1 1 42 42 LYS HD3 H 1 1.685 0.02 . 1 . . . . A 37 LYS HD3 . 34395 1 442 . 1 1 42 42 LYS HE2 H 1 2.997 0.02 . 1 . . . . A 37 LYS HE2 . 34395 1 443 . 1 1 42 42 LYS HE3 H 1 2.997 0.02 . 1 . . . . A 37 LYS HE3 . 34395 1 444 . 1 1 42 42 LYS CA C 13 54.334 0.1 . 1 . . . . A 37 LYS CA . 34395 1 445 . 1 1 42 42 LYS CB C 13 29.252 0.1 . 1 . . . . A 37 LYS CB . 34395 1 446 . 1 1 42 42 LYS CG C 13 24.517 0.1 . 1 . . . . A 37 LYS CG . 34395 1 447 . 1 1 42 42 LYS CD C 13 29.062 0.1 . 1 . . . . A 37 LYS CD . 34395 1 448 . 1 1 42 42 LYS CE C 13 41.884 0.1 . 1 . . . . A 37 LYS CE . 34395 1 449 . 1 1 42 42 LYS N N 15 122.647 0.1 . 1 . . . . A 37 LYS N . 34395 1 450 . 1 1 43 43 LEU H H 1 7.425 0.02 . 1 . . . . A 38 LEU H . 34395 1 451 . 1 1 43 43 LEU HA H 1 3.903 0.02 . 1 . . . . A 38 LEU HA . 34395 1 452 . 1 1 43 43 LEU HB2 H 1 1.480 0.02 . 2 . . . . A 38 LEU HB2 . 34395 1 453 . 1 1 43 43 LEU HB3 H 1 1.152 0.02 . 2 . . . . A 38 LEU HB3 . 34395 1 454 . 1 1 43 43 LEU HD11 H 1 0.187 0.02 . 2 . . . . A 38 LEU HD11 . 34395 1 455 . 1 1 43 43 LEU HD12 H 1 0.187 0.02 . 2 . . . . A 38 LEU HD12 . 34395 1 456 . 1 1 43 43 LEU HD13 H 1 0.187 0.02 . 2 . . . . A 38 LEU HD13 . 34395 1 457 . 1 1 43 43 LEU HD21 H 1 -0.124 0.02 . 2 . . . . A 38 LEU HD21 . 34395 1 458 . 1 1 43 43 LEU HD22 H 1 -0.124 0.02 . 2 . . . . A 38 LEU HD22 . 34395 1 459 . 1 1 43 43 LEU HD23 H 1 -0.124 0.02 . 2 . . . . A 38 LEU HD23 . 34395 1 460 . 1 1 43 43 LEU CA C 13 57.563 0.1 . 1 . . . . A 38 LEU CA . 34395 1 461 . 1 1 43 43 LEU CB C 13 41.777 0.1 . 1 . . . . A 38 LEU CB . 34395 1 462 . 1 1 43 43 LEU CD1 C 13 24.655 0.1 . 2 . . . . A 38 LEU CD1 . 34395 1 463 . 1 1 43 43 LEU CD2 C 13 22.552 0.1 . 2 . . . . A 38 LEU CD2 . 34395 1 464 . 1 1 43 43 LEU N N 15 120.016 0.1 . 1 . . . . A 38 LEU N . 34395 1 465 . 1 1 44 44 ASP H H 1 8.748 0.02 . 1 . . . . A 39 ASP H . 34395 1 466 . 1 1 44 44 ASP HA H 1 4.522 0.02 . 1 . . . . A 39 ASP HA . 34395 1 467 . 1 1 44 44 ASP HB2 H 1 2.738 0.02 . 2 . . . . A 39 ASP HB2 . 34395 1 468 . 1 1 44 44 ASP HB3 H 1 2.619 0.02 . 2 . . . . A 39 ASP HB3 . 34395 1 469 . 1 1 44 44 ASP CA C 13 53.862 0.1 . 1 . . . . A 39 ASP CA . 34395 1 470 . 1 1 44 44 ASP CB C 13 40.047 0.1 . 1 . . . . A 39 ASP CB . 34395 1 471 . 1 1 44 44 ASP N N 15 114.594 0.1 . 1 . . . . A 39 ASP N . 34395 1 472 . 1 1 45 45 GLN H H 1 7.976 0.02 . 1 . . . . A 40 GLN H . 34395 1 473 . 1 1 45 45 GLN HA H 1 4.759 0.02 . 1 . . . . A 40 GLN HA . 34395 1 474 . 1 1 45 45 GLN HB2 H 1 1.756 0.02 . 2 . . . . A 40 GLN HB2 . 34395 1 475 . 1 1 45 45 GLN HB3 H 1 2.009 0.02 . 2 . . . . A 40 GLN HB3 . 34395 1 476 . 1 1 45 45 GLN HG2 H 1 2.139 0.02 . 1 . . . . A 40 GLN HG2 . 34395 1 477 . 1 1 45 45 GLN HG3 H 1 2.139 0.02 . 1 . . . . A 40 GLN HG3 . 34395 1 478 . 1 1 45 45 GLN HE21 H 1 7.527 0.02 . 2 . . . . A 40 GLN HE21 . 34395 1 479 . 1 1 45 45 GLN HE22 H 1 6.734 0.02 . 2 . . . . A 40 GLN HE22 . 34395 1 480 . 1 1 45 45 GLN CA C 13 52.899 0.1 . 1 . . . . A 40 GLN CA . 34395 1 481 . 1 1 45 45 GLN CB C 13 30.010 0.1 . 1 . . . . A 40 GLN CB . 34395 1 482 . 1 1 45 45 GLN CG C 13 33.429 0.1 . 1 . . . . A 40 GLN CG . 34395 1 483 . 1 1 45 45 GLN N N 15 119.208 0.1 . 1 . . . . A 40 GLN N . 34395 1 484 . 1 1 45 45 GLN NE2 N 15 112.179 0.1 . 1 . . . . A 40 GLN NE2 . 34395 1 485 . 1 1 46 46 PRO HA H 1 4.059 0.02 . 1 . . . . A 41 PRO HA . 34395 1 486 . 1 1 46 46 PRO HB2 H 1 1.572 0.02 . 2 . . . . A 41 PRO HB2 . 34395 1 487 . 1 1 46 46 PRO HB3 H 1 1.568 0.02 . 2 . . . . A 41 PRO HB3 . 34395 1 488 . 1 1 46 46 PRO HG2 H 1 1.853 0.02 . 2 . . . . A 41 PRO HG2 . 34395 1 489 . 1 1 46 46 PRO HG3 H 1 1.753 0.02 . 2 . . . . A 41 PRO HG3 . 34395 1 490 . 1 1 46 46 PRO HD2 H 1 3.427 0.02 . 2 . . . . A 41 PRO HD2 . 34395 1 491 . 1 1 46 46 PRO HD3 H 1 3.499 0.02 . 2 . . . . A 41 PRO HD3 . 34395 1 492 . 1 1 46 46 PRO CA C 13 63.353 0.1 . 1 . . . . A 41 PRO CA . 34395 1 493 . 1 1 46 46 PRO CB C 13 31.744 0.1 . 1 . . . . A 41 PRO CB . 34395 1 494 . 1 1 46 46 PRO CG C 13 26.895 0.1 . 1 . . . . A 41 PRO CG . 34395 1 495 . 1 1 46 46 PRO CD C 13 50.095 0.1 . 1 . . . . A 41 PRO CD . 34395 1 496 . 1 1 47 47 ASP H H 1 8.558 0.02 . 1 . . . . A 42 ASP H . 34395 1 497 . 1 1 47 47 ASP HA H 1 4.387 0.02 . 1 . . . . A 42 ASP HA . 34395 1 498 . 1 1 47 47 ASP HB2 H 1 2.568 0.02 . 2 . . . . A 42 ASP HB2 . 34395 1 499 . 1 1 47 47 ASP HB3 H 1 2.152 0.02 . 2 . . . . A 42 ASP HB3 . 34395 1 500 . 1 1 47 47 ASP CA C 13 56.713 0.1 . 1 . . . . A 42 ASP CA . 34395 1 501 . 1 1 47 47 ASP CB C 13 43.036 0.1 . 1 . . . . A 42 ASP CB . 34395 1 502 . 1 1 47 47 ASP N N 15 122.835 0.1 . 1 . . . . A 42 ASP N . 34395 1 503 . 1 1 48 48 TRP H H 1 7.605 0.02 . 1 . . . . A 43 TRP H . 34395 1 504 . 1 1 48 48 TRP HA H 1 4.232 0.02 . 1 . . . . A 43 TRP HA . 34395 1 505 . 1 1 48 48 TRP HB2 H 1 2.948 0.02 . 1 . . . . A 43 TRP HB2 . 34395 1 506 . 1 1 48 48 TRP HB3 H 1 1.943 0.02 . 1 . . . . A 43 TRP HB3 . 34395 1 507 . 1 1 48 48 TRP HD1 H 1 6.788 0.02 . 1 . . . . A 43 TRP HD1 . 34395 1 508 . 1 1 48 48 TRP HE1 H 1 10.107 0.02 . 1 . . . . A 43 TRP HE1 . 34395 1 509 . 1 1 48 48 TRP HE3 H 1 6.568 0.02 . 1 . . . . A 43 TRP HE3 . 34395 1 510 . 1 1 48 48 TRP HZ2 H 1 6.783 0.02 . 1 . . . . A 43 TRP HZ2 . 34395 1 511 . 1 1 48 48 TRP HZ3 H 1 6.298 0.02 . 1 . . . . A 43 TRP HZ3 . 34395 1 512 . 1 1 48 48 TRP HH2 H 1 7.001 0.02 . 1 . . . . A 43 TRP HH2 . 34395 1 513 . 1 1 48 48 TRP CA C 13 57.964 0.1 . 1 . . . . A 43 TRP CA . 34395 1 514 . 1 1 48 48 TRP CB C 13 31.067 0.1 . 1 . . . . A 43 TRP CB . 34395 1 515 . 1 1 48 48 TRP CD1 C 13 127.461 0.1 . 1 . . . . A 43 TRP CD1 . 34395 1 516 . 1 1 48 48 TRP CE3 C 13 119.382 0.1 . 1 . . . . A 43 TRP CE3 . 34395 1 517 . 1 1 48 48 TRP CZ2 C 13 113.200 0.1 . 1 . . . . A 43 TRP CZ2 . 34395 1 518 . 1 1 48 48 TRP CZ3 C 13 120.875 0.1 . 1 . . . . A 43 TRP CZ3 . 34395 1 519 . 1 1 48 48 TRP CH2 C 13 123.599 0.1 . 1 . . . . A 43 TRP CH2 . 34395 1 520 . 1 1 48 48 TRP N N 15 118.047 0.1 . 1 . . . . A 43 TRP N . 34395 1 521 . 1 1 48 48 TRP NE1 N 15 129.780 0.1 . 1 . . . . A 43 TRP NE1 . 34395 1 522 . 1 1 49 49 THR H H 1 6.598 0.02 . 1 . . . . A 44 THR H . 34395 1 523 . 1 1 49 49 THR HA H 1 4.606 0.02 . 1 . . . . A 44 THR HA . 34395 1 524 . 1 1 49 49 THR HB H 1 3.684 0.02 . 1 . . . . A 44 THR HB . 34395 1 525 . 1 1 49 49 THR HG21 H 1 0.853 0.02 . 1 . . . . A 44 THR HG21 . 34395 1 526 . 1 1 49 49 THR HG22 H 1 0.853 0.02 . 1 . . . . A 44 THR HG22 . 34395 1 527 . 1 1 49 49 THR HG23 H 1 0.853 0.02 . 1 . . . . A 44 THR HG23 . 34395 1 528 . 1 1 49 49 THR CA C 13 59.929 0.1 . 1 . . . . A 44 THR CA . 34395 1 529 . 1 1 49 49 THR CB C 13 71.731 0.1 . 1 . . . . A 44 THR CB . 34395 1 530 . 1 1 49 49 THR CG2 C 13 21.330 0.1 . 1 . . . . A 44 THR CG2 . 34395 1 531 . 1 1 49 49 THR N N 15 117.462 0.1 . 1 . . . . A 44 THR N . 34395 1 532 . 1 1 50 50 GLY H H 1 7.503 0.02 . 1 . . . . A 45 GLY H . 34395 1 533 . 1 1 50 50 GLY HA2 H 1 3.467 0.02 . 1 . . . . A 45 GLY HA2 . 34395 1 534 . 1 1 50 50 GLY HA3 H 1 3.362 0.02 . 1 . . . . A 45 GLY HA3 . 34395 1 535 . 1 1 50 50 GLY CA C 13 46.880 0.1 . 1 . . . . A 45 GLY CA . 34395 1 536 . 1 1 50 50 GLY N N 15 110.069 0.1 . 1 . . . . A 45 GLY N . 34395 1 537 . 1 1 51 51 ARG H H 1 8.937 0.02 . 1 . . . . A 46 ARG H . 34395 1 538 . 1 1 51 51 ARG HA H 1 4.743 0.02 . 1 . . . . A 46 ARG HA . 34395 1 539 . 1 1 51 51 ARG HB2 H 1 1.949 0.02 . 2 . . . . A 46 ARG HB2 . 34395 1 540 . 1 1 51 51 ARG HB3 H 1 1.723 0.02 . 2 . . . . A 46 ARG HB3 . 34395 1 541 . 1 1 51 51 ARG HG2 H 1 1.494 0.02 . 1 . . . . A 46 ARG HG2 . 34395 1 542 . 1 1 51 51 ARG HG3 H 1 1.494 0.02 . 1 . . . . A 46 ARG HG3 . 34395 1 543 . 1 1 51 51 ARG HD2 H 1 3.140 0.02 . 2 . . . . A 46 ARG HD2 . 34395 1 544 . 1 1 51 51 ARG HD3 H 1 2.979 0.02 . 2 . . . . A 46 ARG HD3 . 34395 1 545 . 1 1 51 51 ARG CA C 13 54.233 0.1 . 1 . . . . A 46 ARG CA . 34395 1 546 . 1 1 51 51 ARG CB C 13 33.386 0.1 . 1 . . . . A 46 ARG CB . 34395 1 547 . 1 1 51 51 ARG CG C 13 27.242 0.1 . 1 . . . . A 46 ARG CG . 34395 1 548 . 1 1 51 51 ARG CD C 13 44.028 0.1 . 1 . . . . A 46 ARG CD . 34395 1 549 . 1 1 51 51 ARG N N 15 121.674 0.1 . 1 . . . . A 46 ARG N . 34395 1 550 . 1 1 52 52 LEU H H 1 8.775 0.02 . 1 . . . . A 47 LEU H . 34395 1 551 . 1 1 52 52 LEU HA H 1 5.573 0.02 . 1 . . . . A 47 LEU HA . 34395 1 552 . 1 1 52 52 LEU HB2 H 1 1.497 0.02 . 1 . . . . A 47 LEU HB2 . 34395 1 553 . 1 1 52 52 LEU HB3 H 1 1.497 0.02 . 1 . . . . A 47 LEU HB3 . 34395 1 554 . 1 1 52 52 LEU HG H 1 1.582 0.02 . 1 . . . . A 47 LEU HG . 34395 1 555 . 1 1 52 52 LEU HD11 H 1 0.842 0.02 . 2 . . . . A 47 LEU HD11 . 34395 1 556 . 1 1 52 52 LEU HD12 H 1 0.842 0.02 . 2 . . . . A 47 LEU HD12 . 34395 1 557 . 1 1 52 52 LEU HD13 H 1 0.842 0.02 . 2 . . . . A 47 LEU HD13 . 34395 1 558 . 1 1 52 52 LEU HD21 H 1 0.743 0.02 . 2 . . . . A 47 LEU HD21 . 34395 1 559 . 1 1 52 52 LEU HD22 H 1 0.743 0.02 . 2 . . . . A 47 LEU HD22 . 34395 1 560 . 1 1 52 52 LEU HD23 H 1 0.743 0.02 . 2 . . . . A 47 LEU HD23 . 34395 1 561 . 1 1 52 52 LEU CA C 13 53.394 0.1 . 1 . . . . A 47 LEU CA . 34395 1 562 . 1 1 52 52 LEU CB C 13 46.758 0.1 . 1 . . . . A 47 LEU CB . 34395 1 563 . 1 1 52 52 LEU CG C 13 26.766 0.1 . 1 . . . . A 47 LEU CG . 34395 1 564 . 1 1 52 52 LEU CD1 C 13 25.934 0.1 . 2 . . . . A 47 LEU CD1 . 34395 1 565 . 1 1 52 52 LEU CD2 C 13 27.798 0.1 . 2 . . . . A 47 LEU CD2 . 34395 1 566 . 1 1 52 52 LEU N N 15 123.398 0.1 . 1 . . . . A 47 LEU N . 34395 1 567 . 1 1 53 53 ARG H H 1 9.401 0.02 . 1 . . . . A 48 ARG H . 34395 1 568 . 1 1 53 53 ARG HA H 1 5.380 0.02 . 1 . . . . A 48 ARG HA . 34395 1 569 . 1 1 53 53 ARG HB2 H 1 1.652 0.02 . 2 . . . . A 48 ARG HB2 . 34395 1 570 . 1 1 53 53 ARG HB3 H 1 1.525 0.02 . 2 . . . . A 48 ARG HB3 . 34395 1 571 . 1 1 53 53 ARG HG2 H 1 1.566 0.02 . 1 . . . . A 48 ARG HG2 . 34395 1 572 . 1 1 53 53 ARG HG3 H 1 1.566 0.02 . 1 . . . . A 48 ARG HG3 . 34395 1 573 . 1 1 53 53 ARG HD2 H 1 3.131 0.02 . 2 . . . . A 48 ARG HD2 . 34395 1 574 . 1 1 53 53 ARG HD3 H 1 2.945 0.02 . 2 . . . . A 48 ARG HD3 . 34395 1 575 . 1 1 53 53 ARG HE H 1 9.132 0.02 . 1 . . . . A 48 ARG HE . 34395 1 576 . 1 1 53 53 ARG CA C 13 55.050 0.1 . 1 . . . . A 48 ARG CA . 34395 1 577 . 1 1 53 53 ARG CB C 13 35.279 0.1 . 1 . . . . A 48 ARG CB . 34395 1 578 . 1 1 53 53 ARG CG C 13 28.508 0.1 . 1 . . . . A 48 ARG CG . 34395 1 579 . 1 1 53 53 ARG CD C 13 44.088 0.1 . 1 . . . . A 48 ARG CD . 34395 1 580 . 1 1 53 53 ARG N N 15 124.489 0.1 . 1 . . . . A 48 ARG N . 34395 1 581 . 1 1 53 53 ARG NE N 15 86.027 0.1 . 1 . . . . A 48 ARG NE . 34395 1 582 . 1 1 54 54 ILE H H 1 8.873 0.02 . 1 . . . . A 49 ILE H . 34395 1 583 . 1 1 54 54 ILE HA H 1 5.481 0.02 . 1 . . . . A 49 ILE HA . 34395 1 584 . 1 1 54 54 ILE HB H 1 1.509 0.02 . 1 . . . . A 49 ILE HB . 34395 1 585 . 1 1 54 54 ILE HG12 H 1 0.832 0.02 . 2 . . . . A 49 ILE HG12 . 34395 1 586 . 1 1 54 54 ILE HG13 H 1 1.494 0.02 . 2 . . . . A 49 ILE HG13 . 34395 1 587 . 1 1 54 54 ILE HG21 H 1 0.584 0.02 . 1 . . . . A 49 ILE HG21 . 34395 1 588 . 1 1 54 54 ILE HG22 H 1 0.584 0.02 . 1 . . . . A 49 ILE HG22 . 34395 1 589 . 1 1 54 54 ILE HG23 H 1 0.584 0.02 . 1 . . . . A 49 ILE HG23 . 34395 1 590 . 1 1 54 54 ILE HD11 H 1 0.585 0.02 . 1 . . . . A 49 ILE HD11 . 34395 1 591 . 1 1 54 54 ILE HD12 H 1 0.585 0.02 . 1 . . . . A 49 ILE HD12 . 34395 1 592 . 1 1 54 54 ILE HD13 H 1 0.585 0.02 . 1 . . . . A 49 ILE HD13 . 34395 1 593 . 1 1 54 54 ILE CA C 13 59.416 0.1 . 1 . . . . A 49 ILE CA . 34395 1 594 . 1 1 54 54 ILE CB C 13 39.197 0.1 . 1 . . . . A 49 ILE CB . 34395 1 595 . 1 1 54 54 ILE CG1 C 13 27.124 0.1 . 1 . . . . A 49 ILE CG1 . 34395 1 596 . 1 1 54 54 ILE CG2 C 13 17.816 0.1 . 1 . . . . A 49 ILE CG2 . 34395 1 597 . 1 1 54 54 ILE CD1 C 13 13.621 0.1 . 1 . . . . A 49 ILE CD1 . 34395 1 598 . 1 1 54 54 ILE N N 15 121.570 0.1 . 1 . . . . A 49 ILE N . 34395 1 599 . 1 1 55 55 THR H H 1 9.218 0.02 . 1 . . . . A 50 THR H . 34395 1 600 . 1 1 55 55 THR HA H 1 5.402 0.02 . 1 . . . . A 50 THR HA . 34395 1 601 . 1 1 55 55 THR HB H 1 4.236 0.02 . 1 . . . . A 50 THR HB . 34395 1 602 . 1 1 55 55 THR HG21 H 1 0.873 0.02 . 1 . . . . A 50 THR HG21 . 34395 1 603 . 1 1 55 55 THR HG22 H 1 0.873 0.02 . 1 . . . . A 50 THR HG22 . 34395 1 604 . 1 1 55 55 THR HG23 H 1 0.873 0.02 . 1 . . . . A 50 THR HG23 . 34395 1 605 . 1 1 55 55 THR CA C 13 58.963 0.1 . 1 . . . . A 50 THR CA . 34395 1 606 . 1 1 55 55 THR CB C 13 70.659 0.1 . 1 . . . . A 50 THR CB . 34395 1 607 . 1 1 55 55 THR CG2 C 13 22.057 0.1 . 1 . . . . A 50 THR CG2 . 34395 1 608 . 1 1 55 55 THR N N 15 119.669 0.1 . 1 . . . . A 50 THR N . 34395 1 609 . 1 1 56 56 SER H H 1 8.866 0.02 . 1 . . . . A 51 SER H . 34395 1 610 . 1 1 56 56 SER HA H 1 5.084 0.02 . 1 . . . . A 51 SER HA . 34395 1 611 . 1 1 56 56 SER HB2 H 1 3.152 0.02 . 1 . . . . A 51 SER HB2 . 34395 1 612 . 1 1 56 56 SER HB3 H 1 3.152 0.02 . 1 . . . . A 51 SER HB3 . 34395 1 613 . 1 1 56 56 SER CA C 13 57.067 0.1 . 1 . . . . A 51 SER CA . 34395 1 614 . 1 1 56 56 SER CB C 13 65.956 0.1 . 1 . . . . A 51 SER CB . 34395 1 615 . 1 1 56 56 SER N N 15 111.457 0.1 . 1 . . . . A 51 SER N . 34395 1 616 . 1 1 57 57 LYS H H 1 8.426 0.02 . 1 . . . . A 52 LYS H . 34395 1 617 . 1 1 57 57 LYS HA H 1 4.584 0.02 . 1 . . . . A 52 LYS HA . 34395 1 618 . 1 1 57 57 LYS HB2 H 1 1.889 0.02 . 2 . . . . A 52 LYS HB2 . 34395 1 619 . 1 1 57 57 LYS HB3 H 1 1.647 0.02 . 2 . . . . A 52 LYS HB3 . 34395 1 620 . 1 1 57 57 LYS HG2 H 1 1.247 0.02 . 1 . . . . A 52 LYS HG2 . 34395 1 621 . 1 1 57 57 LYS HG3 H 1 1.247 0.02 . 1 . . . . A 52 LYS HG3 . 34395 1 622 . 1 1 57 57 LYS HD2 H 1 1.499 0.02 . 1 . . . . A 52 LYS HD2 . 34395 1 623 . 1 1 57 57 LYS HD3 H 1 1.499 0.02 . 1 . . . . A 52 LYS HD3 . 34395 1 624 . 1 1 57 57 LYS HE2 H 1 2.726 0.02 . 1 . . . . A 52 LYS HE2 . 34395 1 625 . 1 1 57 57 LYS HE3 H 1 2.726 0.02 . 1 . . . . A 52 LYS HE3 . 34395 1 626 . 1 1 57 57 LYS CA C 13 56.482 0.1 . 1 . . . . A 52 LYS CA . 34395 1 627 . 1 1 57 57 LYS CB C 13 34.417 0.1 . 1 . . . . A 52 LYS CB . 34395 1 628 . 1 1 57 57 LYS CG C 13 25.083 0.1 . 1 . . . . A 52 LYS CG . 34395 1 629 . 1 1 57 57 LYS CD C 13 29.355 0.1 . 1 . . . . A 52 LYS CD . 34395 1 630 . 1 1 57 57 LYS CE C 13 41.631 0.1 . 1 . . . . A 52 LYS CE . 34395 1 631 . 1 1 57 57 LYS N N 15 123.471 0.1 . 1 . . . . A 52 LYS N . 34395 1 632 . 1 1 58 58 GLY H H 1 8.925 0.02 . 1 . . . . A 53 GLY H . 34395 1 633 . 1 1 58 58 GLY HA2 H 1 4.086 0.02 . 2 . . . . A 53 GLY HA2 . 34395 1 634 . 1 1 58 58 GLY HA3 H 1 3.646 0.02 . 2 . . . . A 53 GLY HA3 . 34395 1 635 . 1 1 58 58 GLY CA C 13 46.491 0.1 . 1 . . . . A 53 GLY CA . 34395 1 636 . 1 1 58 58 GLY N N 15 115.878 0.1 . 1 . . . . A 53 GLY N . 34395 1 637 . 1 1 59 59 LYS H H 1 8.783 0.02 . 1 . . . . A 54 LYS H . 34395 1 638 . 1 1 59 59 LYS HA H 1 4.151 0.02 . 1 . . . . A 54 LYS HA . 34395 1 639 . 1 1 59 59 LYS HB2 H 1 1.774 0.02 . 2 . . . . A 54 LYS HB2 . 34395 1 640 . 1 1 59 59 LYS HB3 H 1 1.959 0.02 . 2 . . . . A 54 LYS HB3 . 34395 1 641 . 1 1 59 59 LYS HG2 H 1 1.271 0.02 . 1 . . . . A 54 LYS HG2 . 34395 1 642 . 1 1 59 59 LYS HG3 H 1 1.271 0.02 . 1 . . . . A 54 LYS HG3 . 34395 1 643 . 1 1 59 59 LYS HD2 H 1 1.578 0.02 . 1 . . . . A 54 LYS HD2 . 34395 1 644 . 1 1 59 59 LYS HD3 H 1 1.578 0.02 . 1 . . . . A 54 LYS HD3 . 34395 1 645 . 1 1 59 59 LYS HE2 H 1 2.855 0.02 . 1 . . . . A 54 LYS HE2 . 34395 1 646 . 1 1 59 59 LYS HE3 H 1 2.855 0.02 . 1 . . . . A 54 LYS HE3 . 34395 1 647 . 1 1 59 59 LYS CA C 13 57.465 0.1 . 1 . . . . A 54 LYS CA . 34395 1 648 . 1 1 59 59 LYS CB C 13 32.514 0.1 . 1 . . . . A 54 LYS CB . 34395 1 649 . 1 1 59 59 LYS CG C 13 25.083 0.1 . 1 . . . . A 54 LYS CG . 34395 1 650 . 1 1 59 59 LYS CD C 13 29.032 0.1 . 1 . . . . A 54 LYS CD . 34395 1 651 . 1 1 59 59 LYS CE C 13 41.815 0.1 . 1 . . . . A 54 LYS CE . 34395 1 652 . 1 1 59 59 LYS N N 15 124.945 0.1 . 1 . . . . A 54 LYS N . 34395 1 653 . 1 1 60 60 THR H H 1 7.713 0.02 . 1 . . . . A 55 THR H . 34395 1 654 . 1 1 60 60 THR HA H 1 4.282 0.02 . 1 . . . . A 55 THR HA . 34395 1 655 . 1 1 60 60 THR HB H 1 3.842 0.02 . 1 . . . . A 55 THR HB . 34395 1 656 . 1 1 60 60 THR HG21 H 1 0.603 0.02 . 1 . . . . A 55 THR HG21 . 34395 1 657 . 1 1 60 60 THR HG22 H 1 0.603 0.02 . 1 . . . . A 55 THR HG22 . 34395 1 658 . 1 1 60 60 THR HG23 H 1 0.603 0.02 . 1 . . . . A 55 THR HG23 . 34395 1 659 . 1 1 60 60 THR CA C 13 63.481 0.1 . 1 . . . . A 55 THR CA . 34395 1 660 . 1 1 60 60 THR CB C 13 69.948 0.1 . 1 . . . . A 55 THR CB . 34395 1 661 . 1 1 60 60 THR CG2 C 13 21.772 0.1 . 1 . . . . A 55 THR CG2 . 34395 1 662 . 1 1 60 60 THR N N 15 118.147 0.1 . 1 . . . . A 55 THR N . 34395 1 663 . 1 1 61 61 ALA H H 1 8.173 0.02 . 1 . . . . A 56 ALA H . 34395 1 664 . 1 1 61 61 ALA HA H 1 4.952 0.02 . 1 . . . . A 56 ALA HA . 34395 1 665 . 1 1 61 61 ALA HB1 H 1 0.714 0.02 . 1 . . . . A 56 ALA HB1 . 34395 1 666 . 1 1 61 61 ALA HB2 H 1 0.714 0.02 . 1 . . . . A 56 ALA HB2 . 34395 1 667 . 1 1 61 61 ALA HB3 H 1 0.714 0.02 . 1 . . . . A 56 ALA HB3 . 34395 1 668 . 1 1 61 61 ALA CA C 13 49.161 0.1 . 1 . . . . A 56 ALA CA . 34395 1 669 . 1 1 61 61 ALA CB C 13 20.088 0.1 . 1 . . . . A 56 ALA CB . 34395 1 670 . 1 1 61 61 ALA N N 15 126.937 0.1 . 1 . . . . A 56 ALA N . 34395 1 671 . 1 1 62 62 TYR H H 1 9.166 0.02 . 1 . . . . A 57 TYR H . 34395 1 672 . 1 1 62 62 TYR HA H 1 4.776 0.02 . 1 . . . . A 57 TYR HA . 34395 1 673 . 1 1 62 62 TYR HB2 H 1 2.939 0.02 . 2 . . . . A 57 TYR HB2 . 34395 1 674 . 1 1 62 62 TYR HB3 H 1 2.222 0.02 . 2 . . . . A 57 TYR HB3 . 34395 1 675 . 1 1 62 62 TYR HD1 H 1 6.619 0.02 . 1 . . . . A 57 TYR HD1 . 34395 1 676 . 1 1 62 62 TYR HD2 H 1 6.619 0.02 . 1 . . . . A 57 TYR HD2 . 34395 1 677 . 1 1 62 62 TYR HE1 H 1 6.567 0.02 . 1 . . . . A 57 TYR HE1 . 34395 1 678 . 1 1 62 62 TYR HE2 H 1 6.567 0.02 . 1 . . . . A 57 TYR HE2 . 34395 1 679 . 1 1 62 62 TYR CA C 13 56.940 0.1 . 1 . . . . A 57 TYR CA . 34395 1 680 . 1 1 62 62 TYR CB C 13 40.550 0.1 . 1 . . . . A 57 TYR CB . 34395 1 681 . 1 1 62 62 TYR CD1 C 13 132.447 0.1 . 1 . . . . A 57 TYR CD1 . 34395 1 682 . 1 1 62 62 TYR CD2 C 13 132.447 0.1 . 1 . . . . A 57 TYR CD2 . 34395 1 683 . 1 1 62 62 TYR CE1 C 13 117.658 0.1 . 1 . . . . A 57 TYR CE1 . 34395 1 684 . 1 1 62 62 TYR CE2 C 13 117.658 0.1 . 1 . . . . A 57 TYR CE2 . 34395 1 685 . 1 1 62 62 TYR N N 15 117.769 0.1 . 1 . . . . A 57 TYR N . 34395 1 686 . 1 1 63 63 ILE H H 1 8.556 0.02 . 1 . . . . A 58 ILE H . 34395 1 687 . 1 1 63 63 ILE HA H 1 4.340 0.02 . 1 . . . . A 58 ILE HA . 34395 1 688 . 1 1 63 63 ILE HB H 1 1.980 0.02 . 1 . . . . A 58 ILE HB . 34395 1 689 . 1 1 63 63 ILE HG12 H 1 1.679 0.02 . 1 . . . . A 58 ILE HG12 . 34395 1 690 . 1 1 63 63 ILE HG13 H 1 1.679 0.02 . 1 . . . . A 58 ILE HG13 . 34395 1 691 . 1 1 63 63 ILE HG21 H 1 0.831 0.02 . 1 . . . . A 58 ILE HG21 . 34395 1 692 . 1 1 63 63 ILE HG22 H 1 0.831 0.02 . 1 . . . . A 58 ILE HG22 . 34395 1 693 . 1 1 63 63 ILE HG23 H 1 0.831 0.02 . 1 . . . . A 58 ILE HG23 . 34395 1 694 . 1 1 63 63 ILE HD11 H 1 0.875 0.02 . 1 . . . . A 58 ILE HD11 . 34395 1 695 . 1 1 63 63 ILE HD12 H 1 0.875 0.02 . 1 . . . . A 58 ILE HD12 . 34395 1 696 . 1 1 63 63 ILE HD13 H 1 0.875 0.02 . 1 . . . . A 58 ILE HD13 . 34395 1 697 . 1 1 63 63 ILE CA C 13 61.056 0.1 . 1 . . . . A 58 ILE CA . 34395 1 698 . 1 1 63 63 ILE CB C 13 38.345 0.1 . 1 . . . . A 58 ILE CB . 34395 1 699 . 1 1 63 63 ILE CG1 C 13 27.541 0.1 . 1 . . . . A 58 ILE CG1 . 34395 1 700 . 1 1 63 63 ILE CG2 C 13 17.752 0.1 . 1 . . . . A 58 ILE CG2 . 34395 1 701 . 1 1 63 63 ILE CD1 C 13 15.239 0.1 . 1 . . . . A 58 ILE CD1 . 34395 1 702 . 1 1 63 63 ILE N N 15 122.356 0.1 . 1 . . . . A 58 ILE N . 34395 1 703 . 1 1 64 64 LYS H H 1 9.563 0.02 . 1 . . . . A 59 LYS H . 34395 1 704 . 1 1 64 64 LYS HA H 1 4.587 0.02 . 1 . . . . A 59 LYS HA . 34395 1 705 . 1 1 64 64 LYS HB2 H 1 1.490 0.02 . 2 . . . . A 59 LYS HB2 . 34395 1 706 . 1 1 64 64 LYS HB3 H 1 1.834 0.02 . 2 . . . . A 59 LYS HB3 . 34395 1 707 . 1 1 64 64 LYS HG2 H 1 1.250 0.02 . 1 . . . . A 59 LYS HG2 . 34395 1 708 . 1 1 64 64 LYS HG3 H 1 1.250 0.02 . 1 . . . . A 59 LYS HG3 . 34395 1 709 . 1 1 64 64 LYS HD2 H 1 1.513 0.02 . 1 . . . . A 59 LYS HD2 . 34395 1 710 . 1 1 64 64 LYS HD3 H 1 1.513 0.02 . 1 . . . . A 59 LYS HD3 . 34395 1 711 . 1 1 64 64 LYS HE2 H 1 2.730 0.02 . 1 . . . . A 59 LYS HE2 . 34395 1 712 . 1 1 64 64 LYS HE3 H 1 2.730 0.02 . 1 . . . . A 59 LYS HE3 . 34395 1 713 . 1 1 64 64 LYS CA C 13 56.170 0.1 . 1 . . . . A 59 LYS CA . 34395 1 714 . 1 1 64 64 LYS CB C 13 34.417 0.1 . 1 . . . . A 59 LYS CB . 34395 1 715 . 1 1 64 64 LYS CG C 13 25.256 0.1 . 1 . . . . A 59 LYS CG . 34395 1 716 . 1 1 64 64 LYS CD C 13 29.386 0.1 . 1 . . . . A 59 LYS CD . 34395 1 717 . 1 1 64 64 LYS CE C 13 41.997 0.1 . 1 . . . . A 59 LYS CE . 34395 1 718 . 1 1 64 64 LYS N N 15 127.185 0.1 . 1 . . . . A 59 LYS N . 34395 1 719 . 1 1 65 65 LEU H H 1 8.483 0.02 . 1 . . . . A 60 LEU H . 34395 1 720 . 1 1 65 65 LEU HA H 1 5.310 0.02 . 1 . . . . A 60 LEU HA . 34395 1 721 . 1 1 65 65 LEU HB2 H 1 1.693 0.02 . 1 . . . . A 60 LEU HB2 . 34395 1 722 . 1 1 65 65 LEU HB3 H 1 1.315 0.02 . 1 . . . . A 60 LEU HB3 . 34395 1 723 . 1 1 65 65 LEU HG H 1 1.397 0.02 . 1 . . . . A 60 LEU HG . 34395 1 724 . 1 1 65 65 LEU HD11 H 1 0.729 0.02 . 2 . . . . A 60 LEU HD11 . 34395 1 725 . 1 1 65 65 LEU HD12 H 1 0.729 0.02 . 2 . . . . A 60 LEU HD12 . 34395 1 726 . 1 1 65 65 LEU HD13 H 1 0.729 0.02 . 2 . . . . A 60 LEU HD13 . 34395 1 727 . 1 1 65 65 LEU HD21 H 1 0.600 0.02 . 2 . . . . A 60 LEU HD21 . 34395 1 728 . 1 1 65 65 LEU HD22 H 1 0.600 0.02 . 2 . . . . A 60 LEU HD22 . 34395 1 729 . 1 1 65 65 LEU HD23 H 1 0.600 0.02 . 2 . . . . A 60 LEU HD23 . 34395 1 730 . 1 1 65 65 LEU CA C 13 53.032 0.1 . 1 . . . . A 60 LEU CA . 34395 1 731 . 1 1 65 65 LEU CB C 13 40.956 0.1 . 1 . . . . A 60 LEU CB . 34395 1 732 . 1 1 65 65 LEU CG C 13 26.782 0.1 . 1 . . . . A 60 LEU CG . 34395 1 733 . 1 1 65 65 LEU CD1 C 13 24.333 0.1 . 2 . . . . A 60 LEU CD1 . 34395 1 734 . 1 1 65 65 LEU CD2 C 13 26.117 0.1 . 2 . . . . A 60 LEU CD2 . 34395 1 735 . 1 1 65 65 LEU N N 15 124.239 0.1 . 1 . . . . A 60 LEU N . 34395 1 736 . 1 1 66 66 GLU H H 1 9.215 0.02 . 1 . . . . A 61 GLU H . 34395 1 737 . 1 1 66 66 GLU HA H 1 5.106 0.02 . 1 . . . . A 61 GLU HA . 34395 1 738 . 1 1 66 66 GLU HB2 H 1 1.692 0.02 . 2 . . . . A 61 GLU HB2 . 34395 1 739 . 1 1 66 66 GLU HB3 H 1 1.557 0.02 . 2 . . . . A 61 GLU HB3 . 34395 1 740 . 1 1 66 66 GLU HG2 H 1 1.967 0.02 . 1 . . . . A 61 GLU HG2 . 34395 1 741 . 1 1 66 66 GLU HG3 H 1 1.967 0.02 . 1 . . . . A 61 GLU HG3 . 34395 1 742 . 1 1 66 66 GLU CA C 13 53.732 0.1 . 1 . . . . A 61 GLU CA . 34395 1 743 . 1 1 66 66 GLU CB C 13 33.834 0.1 . 1 . . . . A 61 GLU CB . 34395 1 744 . 1 1 66 66 GLU CG C 13 36.243 0.1 . 1 . . . . A 61 GLU CG . 34395 1 745 . 1 1 66 66 GLU N N 15 123.953 0.1 . 1 . . . . A 61 GLU N . 34395 1 746 . 1 1 67 67 ASP H H 1 8.891 0.02 . 1 . . . . A 62 ASP H . 34395 1 747 . 1 1 67 67 ASP HA H 1 4.753 0.02 . 1 . . . . A 62 ASP HA . 34395 1 748 . 1 1 67 67 ASP HB2 H 1 2.945 0.02 . 2 . . . . A 62 ASP HB2 . 34395 1 749 . 1 1 67 67 ASP HB3 H 1 2.800 0.02 . 2 . . . . A 62 ASP HB3 . 34395 1 750 . 1 1 67 67 ASP CA C 13 55.085 0.1 . 1 . . . . A 62 ASP CA . 34395 1 751 . 1 1 67 67 ASP CB C 13 44.035 0.1 . 1 . . . . A 62 ASP CB . 34395 1 752 . 1 1 67 67 ASP N N 15 122.710 0.1 . 1 . . . . A 62 ASP N . 34395 1 753 . 1 1 68 68 LYS H H 1 8.947 0.02 . 1 . . . . A 63 LYS H . 34395 1 754 . 1 1 68 68 LYS HA H 1 3.788 0.02 . 1 . . . . A 63 LYS HA . 34395 1 755 . 1 1 68 68 LYS HB2 H 1 1.750 0.02 . 2 . . . . A 63 LYS HB2 . 34395 1 756 . 1 1 68 68 LYS HB3 H 1 1.715 0.02 . 2 . . . . A 63 LYS HB3 . 34395 1 757 . 1 1 68 68 LYS HG3 H 1 1.385 0.02 . 1 . . . . A 63 LYS HG3 . 34395 1 758 . 1 1 68 68 LYS HD2 H 1 1.585 0.02 . 2 . . . . A 63 LYS HD2 . 34395 1 759 . 1 1 68 68 LYS HD3 H 1 1.472 0.02 . 2 . . . . A 63 LYS HD3 . 34395 1 760 . 1 1 68 68 LYS HE2 H 1 2.855 0.02 . 2 . . . . A 63 LYS HE2 . 34395 1 761 . 1 1 68 68 LYS HE3 H 1 2.693 0.02 . 2 . . . . A 63 LYS HE3 . 34395 1 762 . 1 1 68 68 LYS CA C 13 58.994 0.1 . 1 . . . . A 63 LYS CA . 34395 1 763 . 1 1 68 68 LYS CB C 13 33.113 0.1 . 1 . . . . A 63 LYS CB . 34395 1 764 . 1 1 68 68 LYS CG C 13 25.091 0.1 . 1 . . . . A 63 LYS CG . 34395 1 765 . 1 1 68 68 LYS CD C 13 29.395 0.1 . 1 . . . . A 63 LYS CD . 34395 1 766 . 1 1 68 68 LYS CE C 13 41.927 0.1 . 1 . . . . A 63 LYS CE . 34395 1 767 . 1 1 68 68 LYS N N 15 124.627 0.1 . 1 . . . . A 63 LYS N . 34395 1 768 . 1 1 69 69 VAL H H 1 8.505 0.02 . 1 . . . . A 64 VAL H . 34395 1 769 . 1 1 69 69 VAL HA H 1 3.905 0.02 . 1 . . . . A 64 VAL HA . 34395 1 770 . 1 1 69 69 VAL HB H 1 2.065 0.02 . 1 . . . . A 64 VAL HB . 34395 1 771 . 1 1 69 69 VAL HG11 H 1 0.818 0.02 . 2 . . . . A 64 VAL HG11 . 34395 1 772 . 1 1 69 69 VAL HG12 H 1 0.818 0.02 . 2 . . . . A 64 VAL HG12 . 34395 1 773 . 1 1 69 69 VAL HG13 H 1 0.818 0.02 . 2 . . . . A 64 VAL HG13 . 34395 1 774 . 1 1 69 69 VAL HG21 H 1 0.847 0.02 . 2 . . . . A 64 VAL HG21 . 34395 1 775 . 1 1 69 69 VAL HG22 H 1 0.847 0.02 . 2 . . . . A 64 VAL HG22 . 34395 1 776 . 1 1 69 69 VAL HG23 H 1 0.847 0.02 . 2 . . . . A 64 VAL HG23 . 34395 1 777 . 1 1 69 69 VAL CA C 13 64.417 0.1 . 1 . . . . A 64 VAL CA . 34395 1 778 . 1 1 69 69 VAL CB C 13 32.488 0.1 . 1 . . . . A 64 VAL CB . 34395 1 779 . 1 1 69 69 VAL CG1 C 13 20.827 0.1 . 2 . . . . A 64 VAL CG1 . 34395 1 780 . 1 1 69 69 VAL CG2 C 13 21.793 0.1 . 2 . . . . A 64 VAL CG2 . 34395 1 781 . 1 1 69 69 VAL N N 15 119.107 0.1 . 1 . . . . A 64 VAL N . 34395 1 782 . 1 1 70 70 SER H H 1 9.038 0.02 . 1 . . . . A 65 SER H . 34395 1 783 . 1 1 70 70 SER HA H 1 4.377 0.02 . 1 . . . . A 65 SER HA . 34395 1 784 . 1 1 70 70 SER HB2 H 1 4.034 0.02 . 2 . . . . A 65 SER HB2 . 34395 1 785 . 1 1 70 70 SER HB3 H 1 3.776 0.02 . 2 . . . . A 65 SER HB3 . 34395 1 786 . 1 1 70 70 SER CA C 13 58.494 0.1 . 1 . . . . A 65 SER CA . 34395 1 787 . 1 1 70 70 SER CB C 13 65.282 0.1 . 1 . . . . A 65 SER CB . 34395 1 788 . 1 1 70 70 SER N N 15 114.611 0.1 . 1 . . . . A 65 SER N . 34395 1 789 . 1 1 71 71 GLY H H 1 7.826 0.02 . 1 . . . . A 66 GLY H . 34395 1 790 . 1 1 71 71 GLY HA2 H 1 4.042 0.02 . 2 . . . . A 66 GLY HA2 . 34395 1 791 . 1 1 71 71 GLY HA3 H 1 3.694 0.02 . 2 . . . . A 66 GLY HA3 . 34395 1 792 . 1 1 71 71 GLY CA C 13 45.824 0.1 . 1 . . . . A 66 GLY CA . 34395 1 793 . 1 1 71 71 GLY N N 15 111.250 0.1 . 1 . . . . A 66 GLY N . 34395 1 794 . 1 1 72 72 GLU H H 1 7.815 0.02 . 1 . . . . A 67 GLU H . 34395 1 795 . 1 1 72 72 GLU HA H 1 3.963 0.02 . 1 . . . . A 67 GLU HA . 34395 1 796 . 1 1 72 72 GLU HB2 H 1 1.842 0.02 . 1 . . . . A 67 GLU HB2 . 34395 1 797 . 1 1 72 72 GLU HB3 H 1 1.842 0.02 . 1 . . . . A 67 GLU HB3 . 34395 1 798 . 1 1 72 72 GLU HG2 H 1 2.181 0.02 . 2 . . . . A 67 GLU HG2 . 34395 1 799 . 1 1 72 72 GLU HG3 H 1 2.107 0.02 . 2 . . . . A 67 GLU HG3 . 34395 1 800 . 1 1 72 72 GLU CA C 13 56.730 0.1 . 1 . . . . A 67 GLU CA . 34395 1 801 . 1 1 72 72 GLU CB C 13 30.501 0.1 . 1 . . . . A 67 GLU CB . 34395 1 802 . 1 1 72 72 GLU CG C 13 36.279 0.1 . 1 . . . . A 67 GLU CG . 34395 1 803 . 1 1 72 72 GLU N N 15 119.817 0.1 . 1 . . . . A 67 GLU N . 34395 1 804 . 1 1 73 73 LEU H H 1 8.670 0.02 . 1 . . . . A 68 LEU H . 34395 1 805 . 1 1 73 73 LEU HA H 1 4.126 0.02 . 1 . . . . A 68 LEU HA . 34395 1 806 . 1 1 73 73 LEU HB2 H 1 1.699 0.02 . 2 . . . . A 68 LEU HB2 . 34395 1 807 . 1 1 73 73 LEU HB3 H 1 1.516 0.02 . 2 . . . . A 68 LEU HB3 . 34395 1 808 . 1 1 73 73 LEU HG H 1 1.088 0.02 . 1 . . . . A 68 LEU HG . 34395 1 809 . 1 1 73 73 LEU HD11 H 1 0.679 0.02 . 2 . . . . A 68 LEU HD11 . 34395 1 810 . 1 1 73 73 LEU HD12 H 1 0.679 0.02 . 2 . . . . A 68 LEU HD12 . 34395 1 811 . 1 1 73 73 LEU HD13 H 1 0.679 0.02 . 2 . . . . A 68 LEU HD13 . 34395 1 812 . 1 1 73 73 LEU HD21 H 1 0.854 0.02 . 2 . . . . A 68 LEU HD21 . 34395 1 813 . 1 1 73 73 LEU HD22 H 1 0.854 0.02 . 2 . . . . A 68 LEU HD22 . 34395 1 814 . 1 1 73 73 LEU HD23 H 1 0.854 0.02 . 2 . . . . A 68 LEU HD23 . 34395 1 815 . 1 1 73 73 LEU CA C 13 56.139 0.1 . 1 . . . . A 68 LEU CA . 34395 1 816 . 1 1 73 73 LEU CB C 13 42.375 0.1 . 1 . . . . A 68 LEU CB . 34395 1 817 . 1 1 73 73 LEU CG C 13 26.566 0.1 . 1 . . . . A 68 LEU CG . 34395 1 818 . 1 1 73 73 LEU CD1 C 13 25.855 0.1 . 2 . . . . A 68 LEU CD1 . 34395 1 819 . 1 1 73 73 LEU CD2 C 13 24.021 0.1 . 2 . . . . A 68 LEU CD2 . 34395 1 820 . 1 1 73 73 LEU N N 15 126.987 0.1 . 1 . . . . A 68 LEU N . 34395 1 821 . 1 1 74 74 PHE H H 1 9.557 0.02 . 1 . . . . A 69 PHE H . 34395 1 822 . 1 1 74 74 PHE HA H 1 4.272 0.02 . 1 . . . . A 69 PHE HA . 34395 1 823 . 1 1 74 74 PHE HB2 H 1 1.845 0.02 . 2 . . . . A 69 PHE HB2 . 34395 1 824 . 1 1 74 74 PHE HB3 H 1 2.700 0.02 . 2 . . . . A 69 PHE HB3 . 34395 1 825 . 1 1 74 74 PHE HD1 H 1 6.143 0.02 . 1 . . . . A 69 PHE HD1 . 34395 1 826 . 1 1 74 74 PHE HD2 H 1 6.143 0.02 . 1 . . . . A 69 PHE HD2 . 34395 1 827 . 1 1 74 74 PHE HE1 H 1 6.529 0.02 . 1 . . . . A 69 PHE HE1 . 34395 1 828 . 1 1 74 74 PHE HE2 H 1 6.529 0.02 . 1 . . . . A 69 PHE HE2 . 34395 1 829 . 1 1 74 74 PHE HZ H 1 6.622 0.02 . 1 . . . . A 69 PHE HZ . 34395 1 830 . 1 1 74 74 PHE CA C 13 58.826 0.1 . 1 . . . . A 69 PHE CA . 34395 1 831 . 1 1 74 74 PHE CB C 13 40.101 0.1 . 1 . . . . A 69 PHE CB . 34395 1 832 . 1 1 74 74 PHE CD1 C 13 130.969 0.1 . 1 . . . . A 69 PHE CD1 . 34395 1 833 . 1 1 74 74 PHE CD2 C 13 130.969 0.1 . 1 . . . . A 69 PHE CD2 . 34395 1 834 . 1 1 74 74 PHE CE1 C 13 129.593 0.1 . 1 . . . . A 69 PHE CE1 . 34395 1 835 . 1 1 74 74 PHE CE2 C 13 129.593 0.1 . 1 . . . . A 69 PHE CE2 . 34395 1 836 . 1 1 74 74 PHE CZ C 13 128.049 0.1 . 1 . . . . A 69 PHE CZ . 34395 1 837 . 1 1 74 74 PHE N N 15 131.564 0.1 . 1 . . . . A 69 PHE N . 34395 1 838 . 1 1 75 75 ALA H H 1 7.601 0.02 . 1 . . . . A 70 ALA H . 34395 1 839 . 1 1 75 75 ALA HA H 1 4.072 0.02 . 1 . . . . A 70 ALA HA . 34395 1 840 . 1 1 75 75 ALA HB1 H 1 0.860 0.02 . 1 . . . . A 70 ALA HB1 . 34395 1 841 . 1 1 75 75 ALA HB2 H 1 0.860 0.02 . 1 . . . . A 70 ALA HB2 . 34395 1 842 . 1 1 75 75 ALA HB3 H 1 0.860 0.02 . 1 . . . . A 70 ALA HB3 . 34395 1 843 . 1 1 75 75 ALA CA C 13 51.397 0.1 . 1 . . . . A 70 ALA CA . 34395 1 844 . 1 1 75 75 ALA CB C 13 22.557 0.1 . 1 . . . . A 70 ALA CB . 34395 1 845 . 1 1 75 75 ALA N N 15 116.482 0.1 . 1 . . . . A 70 ALA N . 34395 1 846 . 1 1 76 76 GLN H H 1 8.833 0.02 . 1 . . . . A 71 GLN H . 34395 1 847 . 1 1 76 76 GLN HA H 1 5.607 0.02 . 1 . . . . A 71 GLN HA . 34395 1 848 . 1 1 76 76 GLN HB2 H 1 1.870 0.02 . 2 . . . . A 71 GLN HB2 . 34395 1 849 . 1 1 76 76 GLN HB3 H 1 2.016 0.02 . 2 . . . . A 71 GLN HB3 . 34395 1 850 . 1 1 76 76 GLN HG2 H 1 2.212 0.02 . 2 . . . . A 71 GLN HG2 . 34395 1 851 . 1 1 76 76 GLN HG3 H 1 2.022 0.02 . 2 . . . . A 71 GLN HG3 . 34395 1 852 . 1 1 76 76 GLN HE21 H 1 7.483 0.02 . 2 . . . . A 71 GLN HE21 . 34395 1 853 . 1 1 76 76 GLN HE22 H 1 6.310 0.02 . 2 . . . . A 71 GLN HE22 . 34395 1 854 . 1 1 76 76 GLN CA C 13 53.634 0.1 . 1 . . . . A 71 GLN CA . 34395 1 855 . 1 1 76 76 GLN CB C 13 33.655 0.1 . 1 . . . . A 71 GLN CB . 34395 1 856 . 1 1 76 76 GLN CG C 13 32.800 0.1 . 1 . . . . A 71 GLN CG . 34395 1 857 . 1 1 76 76 GLN N N 15 115.666 0.1 . 1 . . . . A 71 GLN N . 34395 1 858 . 1 1 76 76 GLN NE2 N 15 109.106 0.1 . 1 . . . . A 71 GLN NE2 . 34395 1 859 . 1 1 77 77 ALA H H 1 9.147 0.02 . 1 . . . . A 72 ALA H . 34395 1 860 . 1 1 77 77 ALA HA H 1 5.376 0.02 . 1 . . . . A 72 ALA HA . 34395 1 861 . 1 1 77 77 ALA HB1 H 1 1.162 0.02 . 1 . . . . A 72 ALA HB1 . 34395 1 862 . 1 1 77 77 ALA HB2 H 1 1.162 0.02 . 1 . . . . A 72 ALA HB2 . 34395 1 863 . 1 1 77 77 ALA HB3 H 1 1.162 0.02 . 1 . . . . A 72 ALA HB3 . 34395 1 864 . 1 1 77 77 ALA CA C 13 48.043 0.1 . 1 . . . . A 72 ALA CA . 34395 1 865 . 1 1 77 77 ALA CB C 13 23.119 0.1 . 1 . . . . A 72 ALA CB . 34395 1 866 . 1 1 77 77 ALA N N 15 125.121 0.1 . 1 . . . . A 72 ALA N . 34395 1 867 . 1 1 78 78 PRO HA H 1 4.471 0.02 . 1 . . . . A 73 PRO HA . 34395 1 868 . 1 1 78 78 PRO HB2 H 1 2.018 0.02 . 2 . . . . A 73 PRO HB2 . 34395 1 869 . 1 1 78 78 PRO HB3 H 1 1.716 0.02 . 2 . . . . A 73 PRO HB3 . 34395 1 870 . 1 1 78 78 PRO HG2 H 1 2.162 0.02 . 2 . . . . A 73 PRO HG2 . 34395 1 871 . 1 1 78 78 PRO HG3 H 1 1.955 0.02 . 2 . . . . A 73 PRO HG3 . 34395 1 872 . 1 1 78 78 PRO HD2 H 1 3.936 0.02 . 2 . . . . A 73 PRO HD2 . 34395 1 873 . 1 1 78 78 PRO HD3 H 1 3.886 0.02 . 2 . . . . A 73 PRO HD3 . 34395 1 874 . 1 1 78 78 PRO CA C 13 61.708 0.1 . 1 . . . . A 73 PRO CA . 34395 1 875 . 1 1 78 78 PRO CB C 13 31.959 0.1 . 1 . . . . A 73 PRO CB . 34395 1 876 . 1 1 78 78 PRO CG C 13 27.592 0.1 . 1 . . . . A 73 PRO CG . 34395 1 877 . 1 1 78 78 PRO CD C 13 51.252 0.1 . 1 . . . . A 73 PRO CD . 34395 1 878 . 1 1 79 79 VAL H H 1 9.466 0.02 . 1 . . . . A 74 VAL H . 34395 1 879 . 1 1 79 79 VAL HA H 1 3.947 0.02 . 1 . . . . A 74 VAL HA . 34395 1 880 . 1 1 79 79 VAL HB H 1 1.933 0.02 . 1 . . . . A 74 VAL HB . 34395 1 881 . 1 1 79 79 VAL HG11 H 1 0.691 0.02 . 2 . . . . A 74 VAL HG11 . 34395 1 882 . 1 1 79 79 VAL HG12 H 1 0.691 0.02 . 2 . . . . A 74 VAL HG12 . 34395 1 883 . 1 1 79 79 VAL HG13 H 1 0.691 0.02 . 2 . . . . A 74 VAL HG13 . 34395 1 884 . 1 1 79 79 VAL HG21 H 1 0.783 0.02 . 2 . . . . A 74 VAL HG21 . 34395 1 885 . 1 1 79 79 VAL HG22 H 1 0.783 0.02 . 2 . . . . A 74 VAL HG22 . 34395 1 886 . 1 1 79 79 VAL HG23 H 1 0.783 0.02 . 2 . . . . A 74 VAL HG23 . 34395 1 887 . 1 1 79 79 VAL CA C 13 62.088 0.1 . 1 . . . . A 74 VAL CA . 34395 1 888 . 1 1 79 79 VAL CB C 13 33.252 0.1 . 1 . . . . A 74 VAL CB . 34395 1 889 . 1 1 79 79 VAL CG1 C 13 20.185 0.1 . 2 . . . . A 74 VAL CG1 . 34395 1 890 . 1 1 79 79 VAL CG2 C 13 22.746 0.1 . 2 . . . . A 74 VAL CG2 . 34395 1 891 . 1 1 79 79 VAL N N 15 126.661 0.1 . 1 . . . . A 74 VAL N . 34395 1 892 . 1 1 80 80 GLU H H 1 8.787 0.02 . 1 . . . . A 75 GLU H . 34395 1 893 . 1 1 80 80 GLU HA H 1 4.672 0.02 . 1 . . . . A 75 GLU HA . 34395 1 894 . 1 1 80 80 GLU HB2 H 1 2.152 0.02 . 2 . . . . A 75 GLU HB2 . 34395 1 895 . 1 1 80 80 GLU HB3 H 1 1.844 0.02 . 2 . . . . A 75 GLU HB3 . 34395 1 896 . 1 1 80 80 GLU HG2 H 1 2.096 0.02 . 2 . . . . A 75 GLU HG2 . 34395 1 897 . 1 1 80 80 GLU HG3 H 1 2.180 0.02 . 2 . . . . A 75 GLU HG3 . 34395 1 898 . 1 1 80 80 GLU CA C 13 56.462 0.1 . 1 . . . . A 75 GLU CA . 34395 1 899 . 1 1 80 80 GLU CB C 13 31.091 0.1 . 1 . . . . A 75 GLU CB . 34395 1 900 . 1 1 80 80 GLU CG C 13 36.484 0.1 . 1 . . . . A 75 GLU CG . 34395 1 901 . 1 1 80 80 GLU N N 15 124.019 0.1 . 1 . . . . A 75 GLU N . 34395 1 902 . 1 1 81 81 GLN H H 1 7.037 0.02 . 1 . . . . A 76 GLN H . 34395 1 903 . 1 1 81 81 GLN HA H 1 3.810 0.02 . 1 . . . . A 76 GLN HA . 34395 1 904 . 1 1 81 81 GLN HB2 H 1 1.823 0.02 . 1 . . . . A 76 GLN HB2 . 34395 1 905 . 1 1 81 81 GLN HB3 H 1 1.823 0.02 . 1 . . . . A 76 GLN HB3 . 34395 1 906 . 1 1 81 81 GLN HG2 H 1 2.116 0.02 . 1 . . . . A 76 GLN HG2 . 34395 1 907 . 1 1 81 81 GLN HG3 H 1 2.116 0.02 . 1 . . . . A 76 GLN HG3 . 34395 1 908 . 1 1 81 81 GLN HE21 H 1 7.468 0.02 . 2 . . . . A 76 GLN HE21 . 34395 1 909 . 1 1 81 81 GLN HE22 H 1 6.807 0.02 . 2 . . . . A 76 GLN HE22 . 34395 1 910 . 1 1 81 81 GLN CA C 13 54.832 0.1 . 1 . . . . A 76 GLN CA . 34395 1 911 . 1 1 81 81 GLN CB C 13 31.447 0.1 . 1 . . . . A 76 GLN CB . 34395 1 912 . 1 1 81 81 GLN CG C 13 33.408 0.1 . 1 . . . . A 76 GLN CG . 34395 1 913 . 1 1 81 81 GLN N N 15 115.698 0.1 . 1 . . . . A 76 GLN N . 34395 1 914 . 1 1 81 81 GLN NE2 N 15 111.990 0.1 . 1 . . . . A 76 GLN NE2 . 34395 1 915 . 1 1 82 82 TYR H H 1 7.477 0.02 . 1 . . . . A 77 TYR H . 34395 1 916 . 1 1 82 82 TYR HA H 1 4.162 0.02 . 1 . . . . A 77 TYR HA . 34395 1 917 . 1 1 82 82 TYR HB2 H 1 2.145 0.02 . 2 . . . . A 77 TYR HB2 . 34395 1 918 . 1 1 82 82 TYR HB3 H 1 1.994 0.02 . 2 . . . . A 77 TYR HB3 . 34395 1 919 . 1 1 82 82 TYR HD1 H 1 6.755 0.02 . 1 . . . . A 77 TYR HD1 . 34395 1 920 . 1 1 82 82 TYR HD2 H 1 6.755 0.02 . 1 . . . . A 77 TYR HD2 . 34395 1 921 . 1 1 82 82 TYR HE1 H 1 6.664 0.02 . 1 . . . . A 77 TYR HE1 . 34395 1 922 . 1 1 82 82 TYR HE2 H 1 6.664 0.02 . 1 . . . . A 77 TYR HE2 . 34395 1 923 . 1 1 82 82 TYR CA C 13 55.697 0.1 . 1 . . . . A 77 TYR CA . 34395 1 924 . 1 1 82 82 TYR CB C 13 42.437 0.1 . 1 . . . . A 77 TYR CB . 34395 1 925 . 1 1 82 82 TYR CD1 C 13 132.075 0.1 . 1 . . . . A 77 TYR CD1 . 34395 1 926 . 1 1 82 82 TYR CD2 C 13 132.075 0.1 . 1 . . . . A 77 TYR CD2 . 34395 1 927 . 1 1 82 82 TYR CE1 C 13 118.614 0.1 . 1 . . . . A 77 TYR CE1 . 34395 1 928 . 1 1 82 82 TYR CE2 C 13 118.614 0.1 . 1 . . . . A 77 TYR CE2 . 34395 1 929 . 1 1 82 82 TYR N N 15 123.341 0.1 . 1 . . . . A 77 TYR N . 34395 1 930 . 1 1 83 83 PRO HA H 1 3.712 0.02 . 1 . . . . A 78 PRO HA . 34395 1 931 . 1 1 83 83 PRO HB2 H 1 1.954 0.02 . 2 . . . . A 78 PRO HB2 . 34395 1 932 . 1 1 83 83 PRO HB3 H 1 1.754 0.02 . 2 . . . . A 78 PRO HB3 . 34395 1 933 . 1 1 83 83 PRO HG2 H 1 1.627 0.02 . 2 . . . . A 78 PRO HG2 . 34395 1 934 . 1 1 83 83 PRO HG3 H 1 1.391 0.02 . 2 . . . . A 78 PRO HG3 . 34395 1 935 . 1 1 83 83 PRO HD2 H 1 3.113 0.02 . 2 . . . . A 78 PRO HD2 . 34395 1 936 . 1 1 83 83 PRO HD3 H 1 3.294 0.02 . 2 . . . . A 78 PRO HD3 . 34395 1 937 . 1 1 83 83 PRO CA C 13 62.858 0.1 . 1 . . . . A 78 PRO CA . 34395 1 938 . 1 1 83 83 PRO CB C 13 34.075 0.1 . 1 . . . . A 78 PRO CB . 34395 1 939 . 1 1 83 83 PRO CG C 13 25.279 0.1 . 1 . . . . A 78 PRO CG . 34395 1 940 . 1 1 83 83 PRO CD C 13 49.907 0.1 . 1 . . . . A 78 PRO CD . 34395 1 941 . 1 1 84 84 GLY H H 1 8.705 0.02 . 1 . . . . A 79 GLY H . 34395 1 942 . 1 1 84 84 GLY HA2 H 1 3.991 0.02 . 2 . . . . A 79 GLY HA2 . 34395 1 943 . 1 1 84 84 GLY HA3 H 1 3.861 0.02 . 2 . . . . A 79 GLY HA3 . 34395 1 944 . 1 1 84 84 GLY CA C 13 45.923 0.1 . 1 . . . . A 79 GLY CA . 34395 1 945 . 1 1 84 84 GLY N N 15 109.028 0.1 . 1 . . . . A 79 GLY N . 34395 1 946 . 1 1 85 85 ILE H H 1 7.971 0.02 . 1 . . . . A 80 ILE H . 34395 1 947 . 1 1 85 85 ILE HA H 1 4.126 0.02 . 1 . . . . A 80 ILE HA . 34395 1 948 . 1 1 85 85 ILE HB H 1 1.944 0.02 . 1 . . . . A 80 ILE HB . 34395 1 949 . 1 1 85 85 ILE HG12 H 1 1.336 0.02 . 1 . . . . A 80 ILE HG12 . 34395 1 950 . 1 1 85 85 ILE HG13 H 1 1.523 0.02 . 1 . . . . A 80 ILE HG13 . 34395 1 951 . 1 1 85 85 ILE HG21 H 1 0.921 0.02 . 1 . . . . A 80 ILE HG21 . 34395 1 952 . 1 1 85 85 ILE HG22 H 1 0.921 0.02 . 1 . . . . A 80 ILE HG22 . 34395 1 953 . 1 1 85 85 ILE HG23 H 1 0.921 0.02 . 1 . . . . A 80 ILE HG23 . 34395 1 954 . 1 1 85 85 ILE HD11 H 1 0.922 0.02 . 1 . . . . A 80 ILE HD11 . 34395 1 955 . 1 1 85 85 ILE HD12 H 1 0.922 0.02 . 1 . . . . A 80 ILE HD12 . 34395 1 956 . 1 1 85 85 ILE HD13 H 1 0.922 0.02 . 1 . . . . A 80 ILE HD13 . 34395 1 957 . 1 1 85 85 ILE CA C 13 62.033 0.1 . 1 . . . . A 80 ILE CA . 34395 1 958 . 1 1 85 85 ILE CB C 13 39.151 0.1 . 1 . . . . A 80 ILE CB . 34395 1 959 . 1 1 85 85 ILE CG1 C 13 28.129 0.1 . 1 . . . . A 80 ILE CG1 . 34395 1 960 . 1 1 85 85 ILE CG2 C 13 17.574 0.1 . 1 . . . . A 80 ILE CG2 . 34395 1 961 . 1 1 85 85 ILE CD1 C 13 14.167 0.1 . 1 . . . . A 80 ILE CD1 . 34395 1 962 . 1 1 85 85 ILE N N 15 115.827 0.1 . 1 . . . . A 80 ILE N . 34395 1 963 . 1 1 86 86 ALA H H 1 8.584 0.02 . 1 . . . . A 81 ALA H . 34395 1 964 . 1 1 86 86 ALA HA H 1 4.269 0.02 . 1 . . . . A 81 ALA HA . 34395 1 965 . 1 1 86 86 ALA HB1 H 1 1.681 0.02 . 1 . . . . A 81 ALA HB1 . 34395 1 966 . 1 1 86 86 ALA HB2 H 1 1.681 0.02 . 1 . . . . A 81 ALA HB2 . 34395 1 967 . 1 1 86 86 ALA HB3 H 1 1.681 0.02 . 1 . . . . A 81 ALA HB3 . 34395 1 968 . 1 1 86 86 ALA CA C 13 54.458 0.1 . 1 . . . . A 81 ALA CA . 34395 1 969 . 1 1 86 86 ALA CB C 13 21.551 0.1 . 1 . . . . A 81 ALA CB . 34395 1 970 . 1 1 86 86 ALA N N 15 121.061 0.1 . 1 . . . . A 81 ALA N . 34395 1 971 . 1 1 87 87 VAL H H 1 7.257 0.02 . 1 . . . . A 82 VAL H . 34395 1 972 . 1 1 87 87 VAL HA H 1 4.916 0.02 . 1 . . . . A 82 VAL HA . 34395 1 973 . 1 1 87 87 VAL HB H 1 2.202 0.02 . 1 . . . . A 82 VAL HB . 34395 1 974 . 1 1 87 87 VAL HG11 H 1 0.900 0.02 . 2 . . . . A 82 VAL HG11 . 34395 1 975 . 1 1 87 87 VAL HG12 H 1 0.900 0.02 . 2 . . . . A 82 VAL HG12 . 34395 1 976 . 1 1 87 87 VAL HG13 H 1 0.900 0.02 . 2 . . . . A 82 VAL HG13 . 34395 1 977 . 1 1 87 87 VAL HG21 H 1 1.013 0.02 . 2 . . . . A 82 VAL HG21 . 34395 1 978 . 1 1 87 87 VAL HG22 H 1 1.013 0.02 . 2 . . . . A 82 VAL HG22 . 34395 1 979 . 1 1 87 87 VAL HG23 H 1 1.013 0.02 . 2 . . . . A 82 VAL HG23 . 34395 1 980 . 1 1 87 87 VAL CA C 13 61.229 0.1 . 1 . . . . A 82 VAL CA . 34395 1 981 . 1 1 87 87 VAL CB C 13 35.292 0.1 . 1 . . . . A 82 VAL CB . 34395 1 982 . 1 1 87 87 VAL CG1 C 13 21.313 0.1 . 2 . . . . A 82 VAL CG1 . 34395 1 983 . 1 1 87 87 VAL CG2 C 13 21.213 0.1 . 2 . . . . A 82 VAL CG2 . 34395 1 984 . 1 1 87 87 VAL N N 15 112.120 0.1 . 1 . . . . A 82 VAL N . 34395 1 985 . 1 1 88 88 GLU H H 1 9.493 0.02 . 1 . . . . A 83 GLU H . 34395 1 986 . 1 1 88 88 GLU HA H 1 5.125 0.02 . 1 . . . . A 83 GLU HA . 34395 1 987 . 1 1 88 88 GLU HB2 H 1 2.087 0.02 . 2 . . . . A 83 GLU HB2 . 34395 1 988 . 1 1 88 88 GLU HB3 H 1 2.194 0.02 . 2 . . . . A 83 GLU HB3 . 34395 1 989 . 1 1 88 88 GLU HG2 H 1 2.576 0.02 . 1 . . . . A 83 GLU HG2 . 34395 1 990 . 1 1 88 88 GLU HG3 H 1 2.576 0.02 . 1 . . . . A 83 GLU HG3 . 34395 1 991 . 1 1 88 88 GLU CA C 13 54.900 0.1 . 1 . . . . A 83 GLU CA . 34395 1 992 . 1 1 88 88 GLU CB C 13 33.868 0.1 . 1 . . . . A 83 GLU CB . 34395 1 993 . 1 1 88 88 GLU CG C 13 36.674 0.1 . 1 . . . . A 83 GLU CG . 34395 1 994 . 1 1 88 88 GLU N N 15 126.722 0.1 . 1 . . . . A 83 GLU N . 34395 1 995 . 1 1 89 89 THR H H 1 8.505 0.02 . 1 . . . . A 84 THR H . 34395 1 996 . 1 1 89 89 THR HA H 1 4.437 0.02 . 1 . . . . A 84 THR HA . 34395 1 997 . 1 1 89 89 THR HB H 1 4.698 0.02 . 1 . . . . A 84 THR HB . 34395 1 998 . 1 1 89 89 THR HG21 H 1 1.480 0.02 . 1 . . . . A 84 THR HG21 . 34395 1 999 . 1 1 89 89 THR HG22 H 1 1.480 0.02 . 1 . . . . A 84 THR HG22 . 34395 1 1000 . 1 1 89 89 THR HG23 H 1 1.480 0.02 . 1 . . . . A 84 THR HG23 . 34395 1 1001 . 1 1 89 89 THR CA C 13 61.750 0.1 . 1 . . . . A 84 THR CA . 34395 1 1002 . 1 1 89 89 THR CB C 13 69.898 0.1 . 1 . . . . A 84 THR CB . 34395 1 1003 . 1 1 89 89 THR CG2 C 13 22.334 0.1 . 1 . . . . A 84 THR CG2 . 34395 1 1004 . 1 1 89 89 THR N N 15 114.888 0.1 . 1 . . . . A 84 THR N . 34395 1 1005 . 1 1 90 90 VAL H H 1 7.461 0.02 . 1 . . . . A 85 VAL H . 34395 1 1006 . 1 1 90 90 VAL HA H 1 4.728 0.02 . 1 . . . . A 85 VAL HA . 34395 1 1007 . 1 1 90 90 VAL HB H 1 2.146 0.02 . 1 . . . . A 85 VAL HB . 34395 1 1008 . 1 1 90 90 VAL HG11 H 1 0.902 0.02 . 2 . . . . A 85 VAL HG11 . 34395 1 1009 . 1 1 90 90 VAL HG12 H 1 0.902 0.02 . 2 . . . . A 85 VAL HG12 . 34395 1 1010 . 1 1 90 90 VAL HG13 H 1 0.902 0.02 . 2 . . . . A 85 VAL HG13 . 34395 1 1011 . 1 1 90 90 VAL HG21 H 1 0.560 0.02 . 2 . . . . A 85 VAL HG21 . 34395 1 1012 . 1 1 90 90 VAL HG22 H 1 0.560 0.02 . 2 . . . . A 85 VAL HG22 . 34395 1 1013 . 1 1 90 90 VAL HG23 H 1 0.560 0.02 . 2 . . . . A 85 VAL HG23 . 34395 1 1014 . 1 1 90 90 VAL CA C 13 60.575 0.1 . 1 . . . . A 85 VAL CA . 34395 1 1015 . 1 1 90 90 VAL CB C 13 32.463 0.1 . 1 . . . . A 85 VAL CB . 34395 1 1016 . 1 1 90 90 VAL CG1 C 13 21.434 0.1 . 2 . . . . A 85 VAL CG1 . 34395 1 1017 . 1 1 90 90 VAL CG2 C 13 21.540 0.1 . 2 . . . . A 85 VAL CG2 . 34395 1 1018 . 1 1 90 90 VAL N N 15 112.085 0.1 . 1 . . . . A 85 VAL N . 34395 1 1019 . 1 1 91 91 THR H H 1 8.516 0.02 . 1 . . . . A 86 THR H . 34395 1 1020 . 1 1 91 91 THR HA H 1 4.171 0.02 . 1 . . . . A 86 THR HA . 34395 1 1021 . 1 1 91 91 THR HB H 1 4.257 0.02 . 1 . . . . A 86 THR HB . 34395 1 1022 . 1 1 91 91 THR HG21 H 1 1.224 0.02 . 1 . . . . A 86 THR HG21 . 34395 1 1023 . 1 1 91 91 THR HG22 H 1 1.224 0.02 . 1 . . . . A 86 THR HG22 . 34395 1 1024 . 1 1 91 91 THR HG23 H 1 1.224 0.02 . 1 . . . . A 86 THR HG23 . 34395 1 1025 . 1 1 91 91 THR CA C 13 63.350 0.1 . 1 . . . . A 86 THR CA . 34395 1 1026 . 1 1 91 91 THR CB C 13 69.912 0.1 . 1 . . . . A 86 THR CB . 34395 1 1027 . 1 1 91 91 THR CG2 C 13 21.793 0.1 . 1 . . . . A 86 THR CG2 . 34395 1 1028 . 1 1 91 91 THR N N 15 107.502 0.1 . 1 . . . . A 86 THR N . 34395 1 1029 . 1 1 92 92 ASP H H 1 9.077 0.02 . 1 . . . . A 87 ASP H . 34395 1 1030 . 1 1 92 92 ASP HA H 1 4.348 0.02 . 1 . . . . A 87 ASP HA . 34395 1 1031 . 1 1 92 92 ASP HB2 H 1 2.692 0.02 . 2 . . . . A 87 ASP HB2 . 34395 1 1032 . 1 1 92 92 ASP HB3 H 1 2.188 0.02 . 2 . . . . A 87 ASP HB3 . 34395 1 1033 . 1 1 92 92 ASP CA C 13 52.389 0.1 . 1 . . . . A 87 ASP CA . 34395 1 1034 . 1 1 92 92 ASP CB C 13 40.701 0.1 . 1 . . . . A 87 ASP CB . 34395 1 1035 . 1 1 92 92 ASP N N 15 117.856 0.1 . 1 . . . . A 87 ASP N . 34395 1 1036 . 1 1 93 93 SER H H 1 6.878 0.02 . 1 . . . . A 88 SER H . 34395 1 1037 . 1 1 93 93 SER HA H 1 4.632 0.02 . 1 . . . . A 88 SER HA . 34395 1 1038 . 1 1 93 93 SER HB2 H 1 2.936 0.02 . 2 . . . . A 88 SER HB2 . 34395 1 1039 . 1 1 93 93 SER HB3 H 1 3.917 0.02 . 2 . . . . A 88 SER HB3 . 34395 1 1040 . 1 1 93 93 SER CA C 13 57.555 0.1 . 1 . . . . A 88 SER CA . 34395 1 1041 . 1 1 93 93 SER CB C 13 64.418 0.1 . 1 . . . . A 88 SER CB . 34395 1 1042 . 1 1 93 93 SER N N 15 111.168 0.1 . 1 . . . . A 88 SER N . 34395 1 1043 . 1 1 94 94 SER HA H 1 4.541 0.02 . 1 . . . . A 89 SER HA . 34395 1 1044 . 1 1 94 94 SER HB2 H 1 3.977 0.02 . 2 . . . . A 89 SER HB2 . 34395 1 1045 . 1 1 94 94 SER HB3 H 1 4.037 0.02 . 2 . . . . A 89 SER HB3 . 34395 1 1046 . 1 1 94 94 SER CA C 13 59.188 0.1 . 1 . . . . A 89 SER CA . 34395 1 1047 . 1 1 94 94 SER CB C 13 64.429 0.1 . 1 . . . . A 89 SER CB . 34395 1 1048 . 1 1 95 95 ARG H H 1 8.420 0.02 . 1 . . . . A 90 ARG H . 34395 1 1049 . 1 1 95 95 ARG HA H 1 4.226 0.02 . 1 . . . . A 90 ARG HA . 34395 1 1050 . 1 1 95 95 ARG HB2 H 1 1.325 0.02 . 1 . . . . A 90 ARG HB2 . 34395 1 1051 . 1 1 95 95 ARG HB3 H 1 1.325 0.02 . 1 . . . . A 90 ARG HB3 . 34395 1 1052 . 1 1 95 95 ARG HG2 H 1 1.342 0.02 . 2 . . . . A 90 ARG HG2 . 34395 1 1053 . 1 1 95 95 ARG HG3 H 1 1.013 0.02 . 2 . . . . A 90 ARG HG3 . 34395 1 1054 . 1 1 95 95 ARG CA C 13 57.059 0.1 . 1 . . . . A 90 ARG CA . 34395 1 1055 . 1 1 96 96 TYR H H 1 6.089 0.02 . 1 . . . . A 91 TYR H . 34395 1 1056 . 1 1 96 96 TYR HA H 1 5.745 0.02 . 1 . . . . A 91 TYR HA . 34395 1 1057 . 1 1 96 96 TYR HB2 H 1 3.015 0.02 . 2 . . . . A 91 TYR HB2 . 34395 1 1058 . 1 1 96 96 TYR HB3 H 1 2.079 0.02 . 2 . . . . A 91 TYR HB3 . 34395 1 1059 . 1 1 96 96 TYR HD1 H 1 6.932 0.02 . 1 . . . . A 91 TYR HD1 . 34395 1 1060 . 1 1 96 96 TYR HD2 H 1 6.932 0.02 . 1 . . . . A 91 TYR HD2 . 34395 1 1061 . 1 1 96 96 TYR HE1 H 1 6.512 0.02 . 1 . . . . A 91 TYR HE1 . 34395 1 1062 . 1 1 96 96 TYR HE2 H 1 6.512 0.02 . 1 . . . . A 91 TYR HE2 . 34395 1 1063 . 1 1 96 96 TYR CA C 13 55.890 0.1 . 1 . . . . A 91 TYR CA . 34395 1 1064 . 1 1 96 96 TYR CB C 13 42.500 0.1 . 1 . . . . A 91 TYR CB . 34395 1 1065 . 1 1 96 96 TYR CD1 C 13 133.844 0.1 . 1 . . . . A 91 TYR CD1 . 34395 1 1066 . 1 1 96 96 TYR CD2 C 13 133.844 0.1 . 1 . . . . A 91 TYR CD2 . 34395 1 1067 . 1 1 96 96 TYR CE1 C 13 117.539 0.1 . 1 . . . . A 91 TYR CE1 . 34395 1 1068 . 1 1 96 96 TYR CE2 C 13 117.539 0.1 . 1 . . . . A 91 TYR CE2 . 34395 1 1069 . 1 1 96 96 TYR N N 15 112.053 0.1 . 1 . . . . A 91 TYR N . 34395 1 1070 . 1 1 97 97 PHE H H 1 9.145 0.02 . 1 . . . . A 92 PHE H . 34395 1 1071 . 1 1 97 97 PHE HA H 1 5.241 0.02 . 1 . . . . A 92 PHE HA . 34395 1 1072 . 1 1 97 97 PHE HB2 H 1 3.081 0.02 . 2 . . . . A 92 PHE HB2 . 34395 1 1073 . 1 1 97 97 PHE HB3 H 1 2.505 0.02 . 2 . . . . A 92 PHE HB3 . 34395 1 1074 . 1 1 97 97 PHE HD1 H 1 6.964 0.02 . 1 . . . . A 92 PHE HD1 . 34395 1 1075 . 1 1 97 97 PHE HD2 H 1 6.964 0.02 . 1 . . . . A 92 PHE HD2 . 34395 1 1076 . 1 1 97 97 PHE HE1 H 1 7.283 0.02 . 1 . . . . A 92 PHE HE1 . 34395 1 1077 . 1 1 97 97 PHE HE2 H 1 7.283 0.02 . 1 . . . . A 92 PHE HE2 . 34395 1 1078 . 1 1 97 97 PHE HZ H 1 7.424 0.02 . 1 . . . . A 92 PHE HZ . 34395 1 1079 . 1 1 97 97 PHE CA C 13 56.109 0.1 . 1 . . . . A 92 PHE CA . 34395 1 1080 . 1 1 97 97 PHE CB C 13 43.797 0.1 . 1 . . . . A 92 PHE CB . 34395 1 1081 . 1 1 97 97 PHE CD1 C 13 131.633 0.1 . 1 . . . . A 92 PHE CD1 . 34395 1 1082 . 1 1 97 97 PHE CD2 C 13 131.633 0.1 . 1 . . . . A 92 PHE CD2 . 34395 1 1083 . 1 1 97 97 PHE CE1 C 13 131.194 0.1 . 1 . . . . A 92 PHE CE1 . 34395 1 1084 . 1 1 97 97 PHE CE2 C 13 131.194 0.1 . 1 . . . . A 92 PHE CE2 . 34395 1 1085 . 1 1 97 97 PHE CZ C 13 130.199 0.1 . 1 . . . . A 92 PHE CZ . 34395 1 1086 . 1 1 97 97 PHE N N 15 116.965 0.1 . 1 . . . . A 92 PHE N . 34395 1 1087 . 1 1 98 98 VAL H H 1 9.567 0.02 . 1 . . . . A 93 VAL H . 34395 1 1088 . 1 1 98 98 VAL HA H 1 4.951 0.02 . 1 . . . . A 93 VAL HA . 34395 1 1089 . 1 1 98 98 VAL HB H 1 1.557 0.02 . 1 . . . . A 93 VAL HB . 34395 1 1090 . 1 1 98 98 VAL HG11 H 1 0.225 0.02 . 2 . . . . A 93 VAL HG11 . 34395 1 1091 . 1 1 98 98 VAL HG12 H 1 0.225 0.02 . 2 . . . . A 93 VAL HG12 . 34395 1 1092 . 1 1 98 98 VAL HG13 H 1 0.225 0.02 . 2 . . . . A 93 VAL HG13 . 34395 1 1093 . 1 1 98 98 VAL HG21 H 1 0.627 0.02 . 2 . . . . A 93 VAL HG21 . 34395 1 1094 . 1 1 98 98 VAL HG22 H 1 0.627 0.02 . 2 . . . . A 93 VAL HG22 . 34395 1 1095 . 1 1 98 98 VAL HG23 H 1 0.627 0.02 . 2 . . . . A 93 VAL HG23 . 34395 1 1096 . 1 1 98 98 VAL CA C 13 61.962 0.1 . 1 . . . . A 93 VAL CA . 34395 1 1097 . 1 1 98 98 VAL CG1 C 13 21.489 0.1 . 2 . . . . A 93 VAL CG1 . 34395 1 1098 . 1 1 98 98 VAL CG2 C 13 21.256 0.1 . 2 . . . . A 93 VAL CG2 . 34395 1 1099 . 1 1 98 98 VAL N N 15 121.555 0.1 . 1 . . . . A 93 VAL N . 34395 1 1100 . 1 1 99 99 ILE H H 1 9.334 0.02 . 1 . . . . A 94 ILE H . 34395 1 1101 . 1 1 99 99 ILE HA H 1 5.765 0.02 . 1 . . . . A 94 ILE HA . 34395 1 1102 . 1 1 99 99 ILE HB H 1 1.746 0.02 . 1 . . . . A 94 ILE HB . 34395 1 1103 . 1 1 99 99 ILE HG12 H 1 1.349 0.02 . 2 . . . . A 94 ILE HG12 . 34395 1 1104 . 1 1 99 99 ILE HG13 H 1 1.043 0.02 . 2 . . . . A 94 ILE HG13 . 34395 1 1105 . 1 1 99 99 ILE HG21 H 1 0.961 0.02 . 1 . . . . A 94 ILE HG21 . 34395 1 1106 . 1 1 99 99 ILE HG22 H 1 0.961 0.02 . 1 . . . . A 94 ILE HG22 . 34395 1 1107 . 1 1 99 99 ILE HG23 H 1 0.961 0.02 . 1 . . . . A 94 ILE HG23 . 34395 1 1108 . 1 1 99 99 ILE HD11 H 1 0.669 0.02 . 1 . . . . A 94 ILE HD11 . 34395 1 1109 . 1 1 99 99 ILE HD12 H 1 0.669 0.02 . 1 . . . . A 94 ILE HD12 . 34395 1 1110 . 1 1 99 99 ILE HD13 H 1 0.669 0.02 . 1 . . . . A 94 ILE HD13 . 34395 1 1111 . 1 1 99 99 ILE CA C 13 57.915 0.1 . 1 . . . . A 94 ILE CA . 34395 1 1112 . 1 1 99 99 ILE CB C 13 41.385 0.1 . 1 . . . . A 94 ILE CB . 34395 1 1113 . 1 1 99 99 ILE CG1 C 13 26.038 0.1 . 1 . . . . A 94 ILE CG1 . 34395 1 1114 . 1 1 99 99 ILE CG2 C 13 17.626 0.1 . 1 . . . . A 94 ILE CG2 . 34395 1 1115 . 1 1 99 99 ILE CD1 C 13 13.989 0.1 . 1 . . . . A 94 ILE CD1 . 34395 1 1116 . 1 1 99 99 ILE N N 15 121.947 0.1 . 1 . . . . A 94 ILE N . 34395 1 1117 . 1 1 100 100 ARG H H 1 8.283 0.02 . 1 . . . . A 95 ARG H . 34395 1 1118 . 1 1 100 100 ARG HA H 1 4.640 0.02 . 1 . . . . A 95 ARG HA . 34395 1 1119 . 1 1 100 100 ARG HB2 H 1 1.485 0.02 . 2 . . . . A 95 ARG HB2 . 34395 1 1120 . 1 1 100 100 ARG HB3 H 1 1.975 0.02 . 2 . . . . A 95 ARG HB3 . 34395 1 1121 . 1 1 100 100 ARG HD2 H 1 2.930 0.02 . 1 . . . . A 95 ARG HD2 . 34395 1 1122 . 1 1 100 100 ARG HD3 H 1 2.930 0.02 . 1 . . . . A 95 ARG HD3 . 34395 1 1123 . 1 1 100 100 ARG CA C 13 53.499 0.1 . 1 . . . . A 95 ARG CA . 34395 1 1124 . 1 1 100 100 ARG CB C 13 31.433 0.1 . 1 . . . . A 95 ARG CB . 34395 1 1125 . 1 1 100 100 ARG CD C 13 43.680 0.1 . 1 . . . . A 95 ARG CD . 34395 1 1126 . 1 1 100 100 ARG N N 15 124.102 0.1 . 1 . . . . A 95 ARG N . 34395 1 1127 . 1 1 101 101 ILE H H 1 8.421 0.02 . 1 . . . . A 96 ILE H . 34395 1 1128 . 1 1 101 101 ILE HA H 1 4.532 0.02 . 1 . . . . A 96 ILE HA . 34395 1 1129 . 1 1 101 101 ILE HB H 1 1.734 0.02 . 1 . . . . A 96 ILE HB . 34395 1 1130 . 1 1 101 101 ILE HG12 H 1 0.726 0.02 . 2 . . . . A 96 ILE HG12 . 34395 1 1131 . 1 1 101 101 ILE HG13 H 1 1.240 0.02 . 2 . . . . A 96 ILE HG13 . 34395 1 1132 . 1 1 101 101 ILE HG21 H 1 0.558 0.02 . 1 . . . . A 96 ILE HG21 . 34395 1 1133 . 1 1 101 101 ILE HG22 H 1 0.558 0.02 . 1 . . . . A 96 ILE HG22 . 34395 1 1134 . 1 1 101 101 ILE HG23 H 1 0.558 0.02 . 1 . . . . A 96 ILE HG23 . 34395 1 1135 . 1 1 101 101 ILE HD11 H 1 0.460 0.02 . 1 . . . . A 96 ILE HD11 . 34395 1 1136 . 1 1 101 101 ILE HD12 H 1 0.460 0.02 . 1 . . . . A 96 ILE HD12 . 34395 1 1137 . 1 1 101 101 ILE HD13 H 1 0.460 0.02 . 1 . . . . A 96 ILE HD13 . 34395 1 1138 . 1 1 101 101 ILE CA C 13 60.134 0.1 . 1 . . . . A 96 ILE CA . 34395 1 1139 . 1 1 101 101 ILE CB C 13 39.187 0.1 . 1 . . . . A 96 ILE CB . 34395 1 1140 . 1 1 101 101 ILE CG1 C 13 25.769 0.1 . 1 . . . . A 96 ILE CG1 . 34395 1 1141 . 1 1 101 101 ILE CG2 C 13 18.630 0.1 . 1 . . . . A 96 ILE CG2 . 34395 1 1142 . 1 1 101 101 ILE CD1 C 13 13.439 0.1 . 1 . . . . A 96 ILE CD1 . 34395 1 1143 . 1 1 101 101 ILE N N 15 121.108 0.1 . 1 . . . . A 96 ILE N . 34395 1 1144 . 1 1 102 102 GLN H H 1 8.154 0.02 . 1 . . . . A 97 GLN H . 34395 1 1145 . 1 1 102 102 GLN HA H 1 5.116 0.02 . 1 . . . . A 97 GLN HA . 34395 1 1146 . 1 1 102 102 GLN HB2 H 1 1.726 0.02 . 2 . . . . A 97 GLN HB2 . 34395 1 1147 . 1 1 102 102 GLN HB3 H 1 1.917 0.02 . 2 . . . . A 97 GLN HB3 . 34395 1 1148 . 1 1 102 102 GLN HG2 H 1 2.061 0.02 . 2 . . . . A 97 GLN HG2 . 34395 1 1149 . 1 1 102 102 GLN HG3 H 1 2.271 0.02 . 2 . . . . A 97 GLN HG3 . 34395 1 1150 . 1 1 102 102 GLN HE21 H 1 6.784 0.02 . 2 . . . . A 97 GLN HE21 . 34395 1 1151 . 1 1 102 102 GLN HE22 H 1 7.332 0.02 . 2 . . . . A 97 GLN HE22 . 34395 1 1152 . 1 1 102 102 GLN CA C 13 54.677 0.1 . 1 . . . . A 97 GLN CA . 34395 1 1153 . 1 1 102 102 GLN CB C 13 33.186 0.1 . 1 . . . . A 97 GLN CB . 34395 1 1154 . 1 1 102 102 GLN CG C 13 34.257 0.1 . 1 . . . . A 97 GLN CG . 34395 1 1155 . 1 1 102 102 GLN N N 15 117.523 0.1 . 1 . . . . A 97 GLN N . 34395 1 1156 . 1 1 102 102 GLN NE2 N 15 111.080 0.1 . 1 . . . . A 97 GLN NE2 . 34395 1 1157 . 1 1 103 103 ASP H H 1 8.295 0.02 . 1 . . . . A 98 ASP H . 34395 1 1158 . 1 1 103 103 ASP HA H 1 4.698 0.02 . 1 . . . . A 98 ASP HA . 34395 1 1159 . 1 1 103 103 ASP HB2 H 1 3.048 0.02 . 2 . . . . A 98 ASP HB2 . 34395 1 1160 . 1 1 103 103 ASP HB3 H 1 2.469 0.02 . 2 . . . . A 98 ASP HB3 . 34395 1 1161 . 1 1 103 103 ASP CA C 13 52.360 0.1 . 1 . . . . A 98 ASP CA . 34395 1 1162 . 1 1 103 103 ASP CB C 13 41.314 0.1 . 1 . . . . A 98 ASP CB . 34395 1 1163 . 1 1 103 103 ASP N N 15 125.401 0.1 . 1 . . . . A 98 ASP N . 34395 1 1164 . 1 1 104 104 GLY H H 1 8.566 0.02 . 1 . . . . A 99 GLY H . 34395 1 1165 . 1 1 104 104 GLY HA2 H 1 3.888 0.02 . 1 . . . . A 99 GLY HA2 . 34395 1 1166 . 1 1 104 104 GLY HA3 H 1 3.888 0.02 . 1 . . . . A 99 GLY HA3 . 34395 1 1167 . 1 1 104 104 GLY CA C 13 46.129 0.1 . 1 . . . . A 99 GLY CA . 34395 1 1168 . 1 1 104 104 GLY N N 15 106.639 0.1 . 1 . . . . A 99 GLY N . 34395 1 1169 . 1 1 105 105 THR H H 1 8.398 0.02 . 1 . . . . A 100 THR H . 34395 1 1170 . 1 1 105 105 THR HA H 1 4.444 0.02 . 1 . . . . A 100 THR HA . 34395 1 1171 . 1 1 105 105 THR HB H 1 4.299 0.02 . 1 . . . . A 100 THR HB . 34395 1 1172 . 1 1 105 105 THR HG21 H 1 1.068 0.02 . 1 . . . . A 100 THR HG21 . 34395 1 1173 . 1 1 105 105 THR HG22 H 1 1.068 0.02 . 1 . . . . A 100 THR HG22 . 34395 1 1174 . 1 1 105 105 THR HG23 H 1 1.068 0.02 . 1 . . . . A 100 THR HG23 . 34395 1 1175 . 1 1 105 105 THR CA C 13 61.452 0.1 . 1 . . . . A 100 THR CA . 34395 1 1176 . 1 1 105 105 THR CB C 13 69.917 0.1 . 1 . . . . A 100 THR CB . 34395 1 1177 . 1 1 105 105 THR CG2 C 13 21.415 0.1 . 1 . . . . A 100 THR CG2 . 34395 1 1178 . 1 1 105 105 THR N N 15 111.375 0.1 . 1 . . . . A 100 THR N . 34395 1 1179 . 1 1 106 106 GLY H H 1 8.065 0.02 . 1 . . . . A 101 GLY H . 34395 1 1180 . 1 1 106 106 GLY HA2 H 1 4.269 0.02 . 2 . . . . A 101 GLY HA2 . 34395 1 1181 . 1 1 106 106 GLY HA3 H 1 3.507 0.02 . 2 . . . . A 101 GLY HA3 . 34395 1 1182 . 1 1 106 106 GLY CA C 13 44.735 0.1 . 1 . . . . A 101 GLY CA . 34395 1 1183 . 1 1 106 106 GLY N N 15 109.896 0.1 . 1 . . . . A 101 GLY N . 34395 1 1184 . 1 1 107 107 ARG H H 1 7.757 0.02 . 1 . . . . A 102 ARG H . 34395 1 1185 . 1 1 107 107 ARG HA H 1 4.288 0.02 . 1 . . . . A 102 ARG HA . 34395 1 1186 . 1 1 107 107 ARG HB2 H 1 1.683 0.02 . 1 . . . . A 102 ARG HB2 . 34395 1 1187 . 1 1 107 107 ARG HB3 H 1 1.683 0.02 . 1 . . . . A 102 ARG HB3 . 34395 1 1188 . 1 1 107 107 ARG HG2 H 1 1.413 0.02 . 2 . . . . A 102 ARG HG2 . 34395 1 1189 . 1 1 107 107 ARG HG3 H 1 1.551 0.02 . 2 . . . . A 102 ARG HG3 . 34395 1 1190 . 1 1 107 107 ARG HD2 H 1 3.080 0.02 . 1 . . . . A 102 ARG HD2 . 34395 1 1191 . 1 1 107 107 ARG HD3 H 1 3.080 0.02 . 1 . . . . A 102 ARG HD3 . 34395 1 1192 . 1 1 107 107 ARG CA C 13 56.225 0.1 . 1 . . . . A 102 ARG CA . 34395 1 1193 . 1 1 107 107 ARG CB C 13 30.635 0.1 . 1 . . . . A 102 ARG CB . 34395 1 1194 . 1 1 107 107 ARG CG C 13 27.224 0.1 . 1 . . . . A 102 ARG CG . 34395 1 1195 . 1 1 107 107 ARG CD C 13 43.133 0.1 . 1 . . . . A 102 ARG CD . 34395 1 1196 . 1 1 107 107 ARG N N 15 122.277 0.1 . 1 . . . . A 102 ARG N . 34395 1 1197 . 1 1 108 108 SER H H 1 8.403 0.02 . 1 . . . . A 103 SER H . 34395 1 1198 . 1 1 108 108 SER HA H 1 5.338 0.02 . 1 . . . . A 103 SER HA . 34395 1 1199 . 1 1 108 108 SER HB2 H 1 3.408 0.02 . 1 . . . . A 103 SER HB2 . 34395 1 1200 . 1 1 108 108 SER HB3 H 1 3.408 0.02 . 1 . . . . A 103 SER HB3 . 34395 1 1201 . 1 1 108 108 SER CA C 13 57.325 0.1 . 1 . . . . A 103 SER CA . 34395 1 1202 . 1 1 108 108 SER CB C 13 65.904 0.1 . 1 . . . . A 103 SER CB . 34395 1 1203 . 1 1 108 108 SER N N 15 119.006 0.1 . 1 . . . . A 103 SER N . 34395 1 1204 . 1 1 109 109 ALA H H 1 8.365 0.02 . 1 . . . . A 104 ALA H . 34395 1 1205 . 1 1 109 109 ALA HA H 1 4.339 0.02 . 1 . . . . A 104 ALA HA . 34395 1 1206 . 1 1 109 109 ALA HB1 H 1 1.115 0.02 . 1 . . . . A 104 ALA HB1 . 34395 1 1207 . 1 1 109 109 ALA HB2 H 1 1.115 0.02 . 1 . . . . A 104 ALA HB2 . 34395 1 1208 . 1 1 109 109 ALA HB3 H 1 1.115 0.02 . 1 . . . . A 104 ALA HB3 . 34395 1 1209 . 1 1 109 109 ALA CA C 13 51.071 0.1 . 1 . . . . A 104 ALA CA . 34395 1 1210 . 1 1 109 109 ALA CB C 13 21.884 0.1 . 1 . . . . A 104 ALA CB . 34395 1 1211 . 1 1 109 109 ALA N N 15 124.073 0.1 . 1 . . . . A 104 ALA N . 34395 1 1212 . 1 1 110 110 PHE H H 1 8.425 0.02 . 1 . . . . A 105 PHE H . 34395 1 1213 . 1 1 110 110 PHE HA H 1 5.441 0.02 . 1 . . . . A 105 PHE HA . 34395 1 1214 . 1 1 110 110 PHE HB2 H 1 2.831 0.02 . 1 . . . . A 105 PHE HB2 . 34395 1 1215 . 1 1 110 110 PHE HB3 H 1 2.609 0.02 . 1 . . . . A 105 PHE HB3 . 34395 1 1216 . 1 1 110 110 PHE HD1 H 1 7.183 0.02 . 1 . . . . A 105 PHE HD1 . 34395 1 1217 . 1 1 110 110 PHE HD2 H 1 7.183 0.02 . 1 . . . . A 105 PHE HD2 . 34395 1 1218 . 1 1 110 110 PHE HE1 H 1 7.349 0.02 . 1 . . . . A 105 PHE HE1 . 34395 1 1219 . 1 1 110 110 PHE HE2 H 1 7.349 0.02 . 1 . . . . A 105 PHE HE2 . 34395 1 1220 . 1 1 110 110 PHE HZ H 1 7.208 0.02 . 1 . . . . A 105 PHE HZ . 34395 1 1221 . 1 1 110 110 PHE CA C 13 57.084 0.1 . 1 . . . . A 105 PHE CA . 34395 1 1222 . 1 1 110 110 PHE CB C 13 40.326 0.1 . 1 . . . . A 105 PHE CB . 34395 1 1223 . 1 1 110 110 PHE CD1 C 13 132.214 0.1 . 1 . . . . A 105 PHE CD1 . 34395 1 1224 . 1 1 110 110 PHE CD2 C 13 132.214 0.1 . 1 . . . . A 105 PHE CD2 . 34395 1 1225 . 1 1 110 110 PHE CE1 C 13 131.200 0.1 . 1 . . . . A 105 PHE CE1 . 34395 1 1226 . 1 1 110 110 PHE CE2 C 13 131.200 0.1 . 1 . . . . A 105 PHE CE2 . 34395 1 1227 . 1 1 110 110 PHE CZ C 13 129.097 0.1 . 1 . . . . A 105 PHE CZ . 34395 1 1228 . 1 1 110 110 PHE N N 15 117.958 0.1 . 1 . . . . A 105 PHE N . 34395 1 1229 . 1 1 111 111 ILE H H 1 8.822 0.02 . 1 . . . . A 106 ILE H . 34395 1 1230 . 1 1 111 111 ILE HA H 1 4.546 0.02 . 1 . . . . A 106 ILE HA . 34395 1 1231 . 1 1 111 111 ILE HB H 1 1.740 0.02 . 1 . . . . A 106 ILE HB . 34395 1 1232 . 1 1 111 111 ILE HG12 H 1 1.298 0.02 . 2 . . . . A 106 ILE HG12 . 34395 1 1233 . 1 1 111 111 ILE HG13 H 1 0.833 0.02 . 2 . . . . A 106 ILE HG13 . 34395 1 1234 . 1 1 111 111 ILE HG21 H 1 0.687 0.02 . 1 . . . . A 106 ILE HG21 . 34395 1 1235 . 1 1 111 111 ILE HG22 H 1 0.687 0.02 . 1 . . . . A 106 ILE HG22 . 34395 1 1236 . 1 1 111 111 ILE HG23 H 1 0.687 0.02 . 1 . . . . A 106 ILE HG23 . 34395 1 1237 . 1 1 111 111 ILE HD11 H 1 0.559 0.02 . 1 . . . . A 106 ILE HD11 . 34395 1 1238 . 1 1 111 111 ILE HD12 H 1 0.559 0.02 . 1 . . . . A 106 ILE HD12 . 34395 1 1239 . 1 1 111 111 ILE HD13 H 1 0.559 0.02 . 1 . . . . A 106 ILE HD13 . 34395 1 1240 . 1 1 111 111 ILE CA C 13 59.383 0.1 . 1 . . . . A 106 ILE CA . 34395 1 1241 . 1 1 111 111 ILE CB C 13 42.260 0.1 . 1 . . . . A 106 ILE CB . 34395 1 1242 . 1 1 111 111 ILE CG1 C 13 25.721 0.1 . 1 . . . . A 106 ILE CG1 . 34395 1 1243 . 1 1 111 111 ILE CG2 C 13 17.609 0.1 . 1 . . . . A 106 ILE CG2 . 34395 1 1244 . 1 1 111 111 ILE CD1 C 13 14.503 0.1 . 1 . . . . A 106 ILE CD1 . 34395 1 1245 . 1 1 111 111 ILE N N 15 116.526 0.1 . 1 . . . . A 106 ILE N . 34395 1 1246 . 1 1 112 112 GLY H H 1 8.643 0.02 . 1 . . . . A 107 GLY H . 34395 1 1247 . 1 1 112 112 GLY HA2 H 1 5.107 0.02 . 2 . . . . A 107 GLY HA2 . 34395 1 1248 . 1 1 112 112 GLY HA3 H 1 2.628 0.02 . 2 . . . . A 107 GLY HA3 . 34395 1 1249 . 1 1 112 112 GLY CA C 13 44.790 0.1 . 1 . . . . A 107 GLY CA . 34395 1 1250 . 1 1 112 112 GLY N N 15 110.014 0.1 . 1 . . . . A 107 GLY N . 34395 1 1251 . 1 1 113 113 ILE H H 1 9.654 0.02 . 1 . . . . A 108 ILE H . 34395 1 1252 . 1 1 113 113 ILE HA H 1 6.001 0.02 . 1 . . . . A 108 ILE HA . 34395 1 1253 . 1 1 113 113 ILE HB H 1 1.457 0.02 . 1 . . . . A 108 ILE HB . 34395 1 1254 . 1 1 113 113 ILE HG12 H 1 1.428 0.02 . 2 . . . . A 108 ILE HG12 . 34395 1 1255 . 1 1 113 113 ILE HG13 H 1 0.939 0.02 . 2 . . . . A 108 ILE HG13 . 34395 1 1256 . 1 1 113 113 ILE HG21 H 1 0.764 0.02 . 1 . . . . A 108 ILE HG21 . 34395 1 1257 . 1 1 113 113 ILE HG22 H 1 0.764 0.02 . 1 . . . . A 108 ILE HG22 . 34395 1 1258 . 1 1 113 113 ILE HG23 H 1 0.764 0.02 . 1 . . . . A 108 ILE HG23 . 34395 1 1259 . 1 1 113 113 ILE HD11 H 1 0.258 0.02 . 1 . . . . A 108 ILE HD11 . 34395 1 1260 . 1 1 113 113 ILE HD12 H 1 0.258 0.02 . 1 . . . . A 108 ILE HD12 . 34395 1 1261 . 1 1 113 113 ILE HD13 H 1 0.258 0.02 . 1 . . . . A 108 ILE HD13 . 34395 1 1262 . 1 1 113 113 ILE CA C 13 58.663 0.1 . 1 . . . . A 108 ILE CA . 34395 1 1263 . 1 1 113 113 ILE CB C 13 42.196 0.1 . 1 . . . . A 108 ILE CB . 34395 1 1264 . 1 1 113 113 ILE CG1 C 13 26.670 0.1 . 1 . . . . A 108 ILE CG1 . 34395 1 1265 . 1 1 113 113 ILE CG2 C 13 17.890 0.1 . 1 . . . . A 108 ILE CG2 . 34395 1 1266 . 1 1 113 113 ILE CD1 C 13 13.803 0.1 . 1 . . . . A 108 ILE CD1 . 34395 1 1267 . 1 1 113 113 ILE N N 15 116.322 0.1 . 1 . . . . A 108 ILE N . 34395 1 1268 . 1 1 114 114 GLY H H 1 8.733 0.02 . 1 . . . . A 109 GLY H . 34395 1 1269 . 1 1 114 114 GLY HA2 H 1 4.847 0.02 . 2 . . . . A 109 GLY HA2 . 34395 1 1270 . 1 1 114 114 GLY HA3 H 1 3.705 0.02 . 2 . . . . A 109 GLY HA3 . 34395 1 1271 . 1 1 114 114 GLY CA C 13 46.608 0.1 . 1 . . . . A 109 GLY CA . 34395 1 1272 . 1 1 114 114 GLY N N 15 105.993 0.1 . 1 . . . . A 109 GLY N . 34395 1 1273 . 1 1 115 115 PHE H H 1 7.726 0.02 . 1 . . . . A 110 PHE H . 34395 1 1274 . 1 1 115 115 PHE HA H 1 4.938 0.02 . 1 . . . . A 110 PHE HA . 34395 1 1275 . 1 1 115 115 PHE HB2 H 1 3.483 0.02 . 2 . . . . A 110 PHE HB2 . 34395 1 1276 . 1 1 115 115 PHE HB3 H 1 2.520 0.02 . 2 . . . . A 110 PHE HB3 . 34395 1 1277 . 1 1 115 115 PHE HD1 H 1 7.382 0.02 . 1 . . . . A 110 PHE HD1 . 34395 1 1278 . 1 1 115 115 PHE HD2 H 1 7.382 0.02 . 1 . . . . A 110 PHE HD2 . 34395 1 1279 . 1 1 115 115 PHE HE1 H 1 6.626 0.02 . 1 . . . . A 110 PHE HE1 . 34395 1 1280 . 1 1 115 115 PHE HE2 H 1 6.626 0.02 . 1 . . . . A 110 PHE HE2 . 34395 1 1281 . 1 1 115 115 PHE HZ H 1 6.389 0.02 . 1 . . . . A 110 PHE HZ . 34395 1 1282 . 1 1 115 115 PHE CA C 13 56.016 0.1 . 1 . . . . A 110 PHE CA . 34395 1 1283 . 1 1 115 115 PHE CB C 13 42.065 0.1 . 1 . . . . A 110 PHE CB . 34395 1 1284 . 1 1 115 115 PHE CD1 C 13 132.208 0.1 . 1 . . . . A 110 PHE CD1 . 34395 1 1285 . 1 1 115 115 PHE CD2 C 13 132.208 0.1 . 1 . . . . A 110 PHE CD2 . 34395 1 1286 . 1 1 115 115 PHE CE1 C 13 129.859 0.1 . 1 . . . . A 110 PHE CE1 . 34395 1 1287 . 1 1 115 115 PHE CE2 C 13 129.859 0.1 . 1 . . . . A 110 PHE CE2 . 34395 1 1288 . 1 1 115 115 PHE CZ C 13 128.617 0.1 . 1 . . . . A 110 PHE CZ . 34395 1 1289 . 1 1 115 115 PHE N N 15 118.612 0.1 . 1 . . . . A 110 PHE N . 34395 1 1290 . 1 1 116 116 THR H H 1 8.796 0.02 . 1 . . . . A 111 THR H . 34395 1 1291 . 1 1 116 116 THR HA H 1 3.859 0.02 . 1 . . . . A 111 THR HA . 34395 1 1292 . 1 1 116 116 THR HB H 1 4.118 0.02 . 1 . . . . A 111 THR HB . 34395 1 1293 . 1 1 116 116 THR HG21 H 1 1.213 0.02 . 1 . . . . A 111 THR HG21 . 34395 1 1294 . 1 1 116 116 THR HG22 H 1 1.213 0.02 . 1 . . . . A 111 THR HG22 . 34395 1 1295 . 1 1 116 116 THR HG23 H 1 1.213 0.02 . 1 . . . . A 111 THR HG23 . 34395 1 1296 . 1 1 116 116 THR CA C 13 65.182 0.1 . 1 . . . . A 111 THR CA . 34395 1 1297 . 1 1 116 116 THR CB C 13 68.873 0.1 . 1 . . . . A 111 THR CB . 34395 1 1298 . 1 1 116 116 THR CG2 C 13 22.222 0.1 . 1 . . . . A 111 THR CG2 . 34395 1 1299 . 1 1 116 116 THR N N 15 116.920 0.1 . 1 . . . . A 111 THR N . 34395 1 1300 . 1 1 117 117 ASP H H 1 8.592 0.02 . 1 . . . . A 112 ASP H . 34395 1 1301 . 1 1 117 117 ASP HA H 1 4.868 0.02 . 1 . . . . A 112 ASP HA . 34395 1 1302 . 1 1 117 117 ASP HB2 H 1 2.772 0.02 . 2 . . . . A 112 ASP HB2 . 34395 1 1303 . 1 1 117 117 ASP HB3 H 1 2.544 0.02 . 2 . . . . A 112 ASP HB3 . 34395 1 1304 . 1 1 117 117 ASP CA C 13 52.876 0.1 . 1 . . . . A 112 ASP CA . 34395 1 1305 . 1 1 117 117 ASP CB C 13 44.148 0.1 . 1 . . . . A 112 ASP CB . 34395 1 1306 . 1 1 117 117 ASP N N 15 120.334 0.1 . 1 . . . . A 112 ASP N . 34395 1 1307 . 1 1 118 118 ARG H H 1 8.919 0.02 . 1 . . . . A 113 ARG H . 34395 1 1308 . 1 1 118 118 ARG HA H 1 3.569 0.02 . 1 . . . . A 113 ARG HA . 34395 1 1309 . 1 1 118 118 ARG HB2 H 1 1.489 0.02 . 1 . . . . A 113 ARG HB2 . 34395 1 1310 . 1 1 118 118 ARG HB3 H 1 1.489 0.02 . 1 . . . . A 113 ARG HB3 . 34395 1 1311 . 1 1 118 118 ARG HD2 H 1 3.059 0.02 . 1 . . . . A 113 ARG HD2 . 34395 1 1312 . 1 1 118 118 ARG HD3 H 1 3.059 0.02 . 1 . . . . A 113 ARG HD3 . 34395 1 1313 . 1 1 118 118 ARG CA C 13 59.959 0.1 . 1 . . . . A 113 ARG CA . 34395 1 1314 . 1 1 118 118 ARG CD C 13 43.213 0.1 . 1 . . . . A 113 ARG CD . 34395 1 1315 . 1 1 118 118 ARG N N 15 124.533 0.1 . 1 . . . . A 113 ARG N . 34395 1 1316 . 1 1 119 119 GLY H H 1 8.780 0.02 . 1 . . . . A 114 GLY H . 34395 1 1317 . 1 1 119 119 GLY HA2 H 1 3.809 0.02 . 1 . . . . A 114 GLY HA2 . 34395 1 1318 . 1 1 119 119 GLY HA3 H 1 3.809 0.02 . 1 . . . . A 114 GLY HA3 . 34395 1 1319 . 1 1 119 119 GLY CA C 13 46.910 0.1 . 1 . . . . A 114 GLY CA . 34395 1 1320 . 1 1 119 119 GLY N N 15 108.870 0.1 . 1 . . . . A 114 GLY N . 34395 1 1321 . 1 1 120 120 ASP H H 1 7.463 0.02 . 1 . . . . A 115 ASP H . 34395 1 1322 . 1 1 120 120 ASP HA H 1 4.105 0.02 . 1 . . . . A 115 ASP HA . 34395 1 1323 . 1 1 120 120 ASP HB2 H 1 2.859 0.02 . 2 . . . . A 115 ASP HB2 . 34395 1 1324 . 1 1 120 120 ASP HB3 H 1 2.259 0.02 . 2 . . . . A 115 ASP HB3 . 34395 1 1325 . 1 1 120 120 ASP CA C 13 57.479 0.1 . 1 . . . . A 115 ASP CA . 34395 1 1326 . 1 1 120 120 ASP CB C 13 40.644 0.1 . 1 . . . . A 115 ASP CB . 34395 1 1327 . 1 1 120 120 ASP N N 15 120.771 0.1 . 1 . . . . A 115 ASP N . 34395 1 1328 . 1 1 121 121 ALA H H 1 6.755 0.02 . 1 . . . . A 116 ALA H . 34395 1 1329 . 1 1 121 121 ALA HA H 1 3.267 0.02 . 1 . . . . A 116 ALA HA . 34395 1 1330 . 1 1 121 121 ALA HB1 H 1 1.698 0.02 . 1 . . . . A 116 ALA HB1 . 34395 1 1331 . 1 1 121 121 ALA HB2 H 1 1.698 0.02 . 1 . . . . A 116 ALA HB2 . 34395 1 1332 . 1 1 121 121 ALA HB3 H 1 1.698 0.02 . 1 . . . . A 116 ALA HB3 . 34395 1 1333 . 1 1 121 121 ALA CA C 13 54.504 0.1 . 1 . . . . A 116 ALA CA . 34395 1 1334 . 1 1 121 121 ALA CB C 13 20.157 0.1 . 1 . . . . A 116 ALA CB . 34395 1 1335 . 1 1 121 121 ALA N N 15 120.777 0.1 . 1 . . . . A 116 ALA N . 34395 1 1336 . 1 1 122 122 PHE H H 1 8.170 0.02 . 1 . . . . A 117 PHE H . 34395 1 1337 . 1 1 122 122 PHE HA H 1 4.293 0.02 . 1 . . . . A 117 PHE HA . 34395 1 1338 . 1 1 122 122 PHE HB2 H 1 3.347 0.02 . 2 . . . . A 117 PHE HB2 . 34395 1 1339 . 1 1 122 122 PHE HB3 H 1 3.233 0.02 . 2 . . . . A 117 PHE HB3 . 34395 1 1340 . 1 1 122 122 PHE HD1 H 1 7.292 0.02 . 1 . . . . A 117 PHE HD1 . 34395 1 1341 . 1 1 122 122 PHE HD2 H 1 7.292 0.02 . 1 . . . . A 117 PHE HD2 . 34395 1 1342 . 1 1 122 122 PHE HE1 H 1 7.326 0.02 . 1 . . . . A 117 PHE HE1 . 34395 1 1343 . 1 1 122 122 PHE HE2 H 1 7.326 0.02 . 1 . . . . A 117 PHE HE2 . 34395 1 1344 . 1 1 122 122 PHE CA C 13 61.272 0.1 . 1 . . . . A 117 PHE CA . 34395 1 1345 . 1 1 122 122 PHE CB C 13 38.730 0.1 . 1 . . . . A 117 PHE CB . 34395 1 1346 . 1 1 122 122 PHE CD1 C 13 132.225 0.1 . 1 . . . . A 117 PHE CD1 . 34395 1 1347 . 1 1 122 122 PHE CD2 C 13 132.225 0.1 . 1 . . . . A 117 PHE CD2 . 34395 1 1348 . 1 1 122 122 PHE CE1 C 13 131.526 0.1 . 1 . . . . A 117 PHE CE1 . 34395 1 1349 . 1 1 122 122 PHE CE2 C 13 131.526 0.1 . 1 . . . . A 117 PHE CE2 . 34395 1 1350 . 1 1 122 122 PHE N N 15 119.600 0.1 . 1 . . . . A 117 PHE N . 34395 1 1351 . 1 1 123 123 ASP H H 1 8.147 0.02 . 1 . . . . A 118 ASP H . 34395 1 1352 . 1 1 123 123 ASP HA H 1 4.206 0.02 . 1 . . . . A 118 ASP HA . 34395 1 1353 . 1 1 123 123 ASP HB2 H 1 2.615 0.02 . 1 . . . . A 118 ASP HB2 . 34395 1 1354 . 1 1 123 123 ASP HB3 H 1 2.615 0.02 . 1 . . . . A 118 ASP HB3 . 34395 1 1355 . 1 1 123 123 ASP CA C 13 57.042 0.1 . 1 . . . . A 118 ASP CA . 34395 1 1356 . 1 1 123 123 ASP CB C 13 41.018 0.1 . 1 . . . . A 118 ASP CB . 34395 1 1357 . 1 1 123 123 ASP N N 15 119.342 0.1 . 1 . . . . A 118 ASP N . 34395 1 1358 . 1 1 124 124 PHE H H 1 7.692 0.02 . 1 . . . . A 119 PHE H . 34395 1 1359 . 1 1 124 124 PHE HA H 1 3.899 0.02 . 1 . . . . A 119 PHE HA . 34395 1 1360 . 1 1 124 124 PHE HB2 H 1 3.048 0.02 . 2 . . . . A 119 PHE HB2 . 34395 1 1361 . 1 1 124 124 PHE HB3 H 1 2.544 0.02 . 2 . . . . A 119 PHE HB3 . 34395 1 1362 . 1 1 124 124 PHE HD1 H 1 6.613 0.02 . 1 . . . . A 119 PHE HD1 . 34395 1 1363 . 1 1 124 124 PHE HD2 H 1 6.613 0.02 . 1 . . . . A 119 PHE HD2 . 34395 1 1364 . 1 1 124 124 PHE HE1 H 1 6.298 0.02 . 1 . . . . A 119 PHE HE1 . 34395 1 1365 . 1 1 124 124 PHE HE2 H 1 6.298 0.02 . 1 . . . . A 119 PHE HE2 . 34395 1 1366 . 1 1 124 124 PHE HZ H 1 6.665 0.02 . 1 . . . . A 119 PHE HZ . 34395 1 1367 . 1 1 124 124 PHE CA C 13 60.904 0.1 . 1 . . . . A 119 PHE CA . 34395 1 1368 . 1 1 124 124 PHE CB C 13 39.155 0.1 . 1 . . . . A 119 PHE CB . 34395 1 1369 . 1 1 124 124 PHE CD1 C 13 132.813 0.1 . 1 . . . . A 119 PHE CD1 . 34395 1 1370 . 1 1 124 124 PHE CD2 C 13 132.813 0.1 . 1 . . . . A 119 PHE CD2 . 34395 1 1371 . 1 1 124 124 PHE CE1 C 13 129.878 0.1 . 1 . . . . A 119 PHE CE1 . 34395 1 1372 . 1 1 124 124 PHE CE2 C 13 129.878 0.1 . 1 . . . . A 119 PHE CE2 . 34395 1 1373 . 1 1 124 124 PHE CZ C 13 132.413 0.1 . 1 . . . . A 119 PHE CZ . 34395 1 1374 . 1 1 124 124 PHE N N 15 122.248 0.1 . 1 . . . . A 119 PHE N . 34395 1 1375 . 1 1 125 125 ASN H H 1 7.647 0.02 . 1 . . . . A 120 ASN H . 34395 1 1376 . 1 1 125 125 ASN HA H 1 3.825 0.02 . 1 . . . . A 120 ASN HA . 34395 1 1377 . 1 1 125 125 ASN HB2 H 1 2.829 0.02 . 1 . . . . A 120 ASN HB2 . 34395 1 1378 . 1 1 125 125 ASN HB3 H 1 2.829 0.02 . 1 . . . . A 120 ASN HB3 . 34395 1 1379 . 1 1 125 125 ASN HD21 H 1 7.406 0.02 . 2 . . . . A 120 ASN HD21 . 34395 1 1380 . 1 1 125 125 ASN HD22 H 1 6.849 0.02 . 2 . . . . A 120 ASN HD22 . 34395 1 1381 . 1 1 125 125 ASN CA C 13 56.388 0.1 . 1 . . . . A 120 ASN CA . 34395 1 1382 . 1 1 125 125 ASN CB C 13 39.589 0.1 . 1 . . . . A 120 ASN CB . 34395 1 1383 . 1 1 125 125 ASN N N 15 117.033 0.1 . 1 . . . . A 120 ASN N . 34395 1 1384 . 1 1 125 125 ASN ND2 N 15 113.099 0.1 . 1 . . . . A 120 ASN ND2 . 34395 1 1385 . 1 1 126 126 VAL H H 1 8.600 0.02 . 1 . . . . A 121 VAL H . 34395 1 1386 . 1 1 126 126 VAL HA H 1 3.402 0.02 . 1 . . . . A 121 VAL HA . 34395 1 1387 . 1 1 126 126 VAL HB H 1 1.713 0.02 . 1 . . . . A 121 VAL HB . 34395 1 1388 . 1 1 126 126 VAL HG11 H 1 0.722 0.02 . 2 . . . . A 121 VAL HG11 . 34395 1 1389 . 1 1 126 126 VAL HG12 H 1 0.722 0.02 . 2 . . . . A 121 VAL HG12 . 34395 1 1390 . 1 1 126 126 VAL HG13 H 1 0.722 0.02 . 2 . . . . A 121 VAL HG13 . 34395 1 1391 . 1 1 126 126 VAL HG21 H 1 0.556 0.02 . 2 . . . . A 121 VAL HG21 . 34395 1 1392 . 1 1 126 126 VAL HG22 H 1 0.556 0.02 . 2 . . . . A 121 VAL HG22 . 34395 1 1393 . 1 1 126 126 VAL HG23 H 1 0.556 0.02 . 2 . . . . A 121 VAL HG23 . 34395 1 1394 . 1 1 126 126 VAL CA C 13 66.050 0.1 . 1 . . . . A 121 VAL CA . 34395 1 1395 . 1 1 126 126 VAL CB C 13 31.280 0.1 . 1 . . . . A 121 VAL CB . 34395 1 1396 . 1 1 126 126 VAL CG1 C 13 21.246 0.1 . 2 . . . . A 121 VAL CG1 . 34395 1 1397 . 1 1 126 126 VAL CG2 C 13 22.929 0.1 . 2 . . . . A 121 VAL CG2 . 34395 1 1398 . 1 1 126 126 VAL N N 15 118.533 0.1 . 1 . . . . A 121 VAL N . 34395 1 1399 . 1 1 127 127 SER H H 1 7.851 0.02 . 1 . . . . A 122 SER H . 34395 1 1400 . 1 1 127 127 SER HA H 1 4.056 0.02 . 1 . . . . A 122 SER HA . 34395 1 1401 . 1 1 127 127 SER HB2 H 1 3.432 0.02 . 2 . . . . A 122 SER HB2 . 34395 1 1402 . 1 1 127 127 SER HB3 H 1 3.654 0.02 . 2 . . . . A 122 SER HB3 . 34395 1 1403 . 1 1 127 127 SER CA C 13 62.321 0.1 . 1 . . . . A 122 SER CA . 34395 1 1404 . 1 1 127 127 SER CB C 13 62.771 0.1 . 1 . . . . A 122 SER CB . 34395 1 1405 . 1 1 127 127 SER N N 15 115.740 0.1 . 1 . . . . A 122 SER N . 34395 1 1406 . 1 1 128 128 LEU H H 1 6.694 0.02 . 1 . . . . A 123 LEU H . 34395 1 1407 . 1 1 128 128 LEU HA H 1 3.659 0.02 . 1 . . . . A 123 LEU HA . 34395 1 1408 . 1 1 128 128 LEU HB2 H 1 0.370 0.02 . 1 . . . . A 123 LEU HB2 . 34395 1 1409 . 1 1 128 128 LEU HB3 H 1 0.370 0.02 . 1 . . . . A 123 LEU HB3 . 34395 1 1410 . 1 1 128 128 LEU HG H 1 0.989 0.02 . 1 . . . . A 123 LEU HG . 34395 1 1411 . 1 1 128 128 LEU HD11 H 1 -0.081 0.02 . 2 . . . . A 123 LEU HD11 . 34395 1 1412 . 1 1 128 128 LEU HD12 H 1 -0.081 0.02 . 2 . . . . A 123 LEU HD12 . 34395 1 1413 . 1 1 128 128 LEU HD13 H 1 -0.081 0.02 . 2 . . . . A 123 LEU HD13 . 34395 1 1414 . 1 1 128 128 LEU HD21 H 1 0.251 0.02 . 2 . . . . A 123 LEU HD21 . 34395 1 1415 . 1 1 128 128 LEU HD22 H 1 0.251 0.02 . 2 . . . . A 123 LEU HD22 . 34395 1 1416 . 1 1 128 128 LEU HD23 H 1 0.251 0.02 . 2 . . . . A 123 LEU HD23 . 34395 1 1417 . 1 1 128 128 LEU CA C 13 57.484 0.1 . 1 . . . . A 123 LEU CA . 34395 1 1418 . 1 1 128 128 LEU CB C 13 41.492 0.1 . 1 . . . . A 123 LEU CB . 34395 1 1419 . 1 1 128 128 LEU CG C 13 26.074 0.1 . 1 . . . . A 123 LEU CG . 34395 1 1420 . 1 1 128 128 LEU CD1 C 13 25.405 0.1 . 2 . . . . A 123 LEU CD1 . 34395 1 1421 . 1 1 128 128 LEU CD2 C 13 23.174 0.1 . 2 . . . . A 123 LEU CD2 . 34395 1 1422 . 1 1 128 128 LEU N N 15 120.892 0.1 . 1 . . . . A 123 LEU N . 34395 1 1423 . 1 1 129 129 GLN H H 1 8.205 0.02 . 1 . . . . A 124 GLN H . 34395 1 1424 . 1 1 129 129 GLN HA H 1 3.851 0.02 . 1 . . . . A 124 GLN HA . 34395 1 1425 . 1 1 129 129 GLN HB2 H 1 2.122 0.02 . 2 . . . . A 124 GLN HB2 . 34395 1 1426 . 1 1 129 129 GLN HB3 H 1 1.989 0.02 . 2 . . . . A 124 GLN HB3 . 34395 1 1427 . 1 1 129 129 GLN HG2 H 1 2.192 0.02 . 2 . . . . A 124 GLN HG2 . 34395 1 1428 . 1 1 129 129 GLN HG3 H 1 2.510 0.02 . 2 . . . . A 124 GLN HG3 . 34395 1 1429 . 1 1 129 129 GLN HE21 H 1 7.289 0.02 . 2 . . . . A 124 GLN HE21 . 34395 1 1430 . 1 1 129 129 GLN HE22 H 1 6.728 0.02 . 2 . . . . A 124 GLN HE22 . 34395 1 1431 . 1 1 129 129 GLN CA C 13 59.484 0.1 . 1 . . . . A 124 GLN CA . 34395 1 1432 . 1 1 129 129 GLN CB C 13 28.868 0.1 . 1 . . . . A 124 GLN CB . 34395 1 1433 . 1 1 129 129 GLN CG C 13 34.262 0.1 . 1 . . . . A 124 GLN CG . 34395 1 1434 . 1 1 129 129 GLN N N 15 118.484 0.1 . 1 . . . . A 124 GLN N . 34395 1 1435 . 1 1 129 129 GLN NE2 N 15 110.611 0.1 . 1 . . . . A 124 GLN NE2 . 34395 1 1436 . 1 1 130 130 ASP H H 1 8.987 0.02 . 1 . . . . A 125 ASP H . 34395 1 1437 . 1 1 130 130 ASP HA H 1 4.311 0.02 . 1 . . . . A 125 ASP HA . 34395 1 1438 . 1 1 130 130 ASP HB2 H 1 2.744 0.02 . 2 . . . . A 125 ASP HB2 . 34395 1 1439 . 1 1 130 130 ASP HB3 H 1 2.486 0.02 . 2 . . . . A 125 ASP HB3 . 34395 1 1440 . 1 1 130 130 ASP CA C 13 56.988 0.1 . 1 . . . . A 125 ASP CA . 34395 1 1441 . 1 1 130 130 ASP CB C 13 39.882 0.1 . 1 . . . . A 125 ASP CB . 34395 1 1442 . 1 1 130 130 ASP N N 15 118.753 0.1 . 1 . . . . A 125 ASP N . 34395 1 1443 . 1 1 131 131 HIS H H 1 7.357 0.02 . 1 . . . . A 126 HIS H . 34395 1 1444 . 1 1 131 131 HIS HA H 1 4.153 0.02 . 1 . . . . A 126 HIS HA . 34395 1 1445 . 1 1 131 131 HIS HB2 H 1 2.832 0.02 . 2 . . . . A 126 HIS HB2 . 34395 1 1446 . 1 1 131 131 HIS HB3 H 1 2.677 0.02 . 2 . . . . A 126 HIS HB3 . 34395 1 1447 . 1 1 131 131 HIS HE1 H 1 7.586 0.02 . 1 . . . . A 126 HIS HE1 . 34395 1 1448 . 1 1 131 131 HIS CA C 13 59.685 0.1 . 1 . . . . A 126 HIS CA . 34395 1 1449 . 1 1 131 131 HIS CB C 13 30.019 0.1 . 1 . . . . A 126 HIS CB . 34395 1 1450 . 1 1 131 131 HIS CE1 C 13 137.923 0.1 . 1 . . . . A 126 HIS CE1 . 34395 1 1451 . 1 1 131 131 HIS N N 15 118.452 0.1 . 1 . . . . A 126 HIS N . 34395 1 1452 . 1 1 132 132 PHE H H 1 7.497 0.02 . 1 . . . . A 127 PHE H . 34395 1 1453 . 1 1 132 132 PHE HA H 1 4.034 0.02 . 1 . . . . A 127 PHE HA . 34395 1 1454 . 1 1 132 132 PHE HB2 H 1 3.493 0.02 . 2 . . . . A 127 PHE HB2 . 34395 1 1455 . 1 1 132 132 PHE HB3 H 1 2.774 0.02 . 2 . . . . A 127 PHE HB3 . 34395 1 1456 . 1 1 132 132 PHE HD1 H 1 7.495 0.02 . 1 . . . . A 127 PHE HD1 . 34395 1 1457 . 1 1 132 132 PHE HD2 H 1 7.495 0.02 . 1 . . . . A 127 PHE HD2 . 34395 1 1458 . 1 1 132 132 PHE HE1 H 1 7.077 0.02 . 1 . . . . A 127 PHE HE1 . 34395 1 1459 . 1 1 132 132 PHE HE2 H 1 7.077 0.02 . 1 . . . . A 127 PHE HE2 . 34395 1 1460 . 1 1 132 132 PHE HZ H 1 7.272 0.02 . 1 . . . . A 127 PHE HZ . 34395 1 1461 . 1 1 132 132 PHE CA C 13 60.720 0.1 . 1 . . . . A 127 PHE CA . 34395 1 1462 . 1 1 132 132 PHE CB C 13 38.597 0.1 . 1 . . . . A 127 PHE CB . 34395 1 1463 . 1 1 132 132 PHE CD1 C 13 133.019 0.1 . 1 . . . . A 127 PHE CD1 . 34395 1 1464 . 1 1 132 132 PHE CD2 C 13 133.019 0.1 . 1 . . . . A 127 PHE CD2 . 34395 1 1465 . 1 1 132 132 PHE CE1 C 13 131.139 0.1 . 1 . . . . A 127 PHE CE1 . 34395 1 1466 . 1 1 132 132 PHE CE2 C 13 131.139 0.1 . 1 . . . . A 127 PHE CE2 . 34395 1 1467 . 1 1 132 132 PHE CZ C 13 130.065 0.1 . 1 . . . . A 127 PHE CZ . 34395 1 1468 . 1 1 132 132 PHE N N 15 113.356 0.1 . 1 . . . . A 127 PHE N . 34395 1 1469 . 1 1 133 133 LYS H H 1 7.577 0.02 . 1 . . . . A 128 LYS H . 34395 1 1470 . 1 1 133 133 LYS HA H 1 4.043 0.02 . 1 . . . . A 128 LYS HA . 34395 1 1471 . 1 1 133 133 LYS HB2 H 1 1.660 0.02 . 2 . . . . A 128 LYS HB2 . 34395 1 1472 . 1 1 133 133 LYS HB3 H 1 1.787 0.02 . 2 . . . . A 128 LYS HB3 . 34395 1 1473 . 1 1 133 133 LYS HG2 H 1 1.119 0.02 . 2 . . . . A 128 LYS HG2 . 34395 1 1474 . 1 1 133 133 LYS HG3 H 1 1.178 0.02 . 2 . . . . A 128 LYS HG3 . 34395 1 1475 . 1 1 133 133 LYS HD2 H 1 1.513 0.02 . 1 . . . . A 128 LYS HD2 . 34395 1 1476 . 1 1 133 133 LYS HD3 H 1 1.513 0.02 . 1 . . . . A 128 LYS HD3 . 34395 1 1477 . 1 1 133 133 LYS HE2 H 1 2.778 0.02 . 1 . . . . A 128 LYS HE2 . 34395 1 1478 . 1 1 133 133 LYS HE3 H 1 2.778 0.02 . 1 . . . . A 128 LYS HE3 . 34395 1 1479 . 1 1 133 133 LYS CA C 13 58.157 0.1 . 1 . . . . A 128 LYS CA . 34395 1 1480 . 1 1 133 133 LYS CB C 13 31.754 0.1 . 1 . . . . A 128 LYS CB . 34395 1 1481 . 1 1 133 133 LYS CG C 13 24.467 0.1 . 1 . . . . A 128 LYS CG . 34395 1 1482 . 1 1 133 133 LYS CD C 13 29.386 0.1 . 1 . . . . A 128 LYS CD . 34395 1 1483 . 1 1 133 133 LYS CE C 13 42.009 0.1 . 1 . . . . A 128 LYS CE . 34395 1 1484 . 1 1 133 133 LYS N N 15 120.700 0.1 . 1 . . . . A 128 LYS N . 34395 1 1485 . 1 1 134 134 TRP H H 1 7.597 0.02 . 1 . . . . A 129 TRP H . 34395 1 1486 . 1 1 134 134 TRP HA H 1 4.585 0.02 . 1 . . . . A 129 TRP HA . 34395 1 1487 . 1 1 134 134 TRP HB2 H 1 3.273 0.02 . 2 . . . . A 129 TRP HB2 . 34395 1 1488 . 1 1 134 134 TRP HB3 H 1 3.135 0.02 . 2 . . . . A 129 TRP HB3 . 34395 1 1489 . 1 1 134 134 TRP HD1 H 1 7.211 0.02 . 1 . . . . A 129 TRP HD1 . 34395 1 1490 . 1 1 134 134 TRP HE1 H 1 9.990 0.02 . 1 . . . . A 129 TRP HE1 . 34395 1 1491 . 1 1 134 134 TRP HE3 H 1 7.477 0.02 . 1 . . . . A 129 TRP HE3 . 34395 1 1492 . 1 1 134 134 TRP HZ2 H 1 7.373 0.02 . 1 . . . . A 129 TRP HZ2 . 34395 1 1493 . 1 1 134 134 TRP HZ3 H 1 7.016 0.02 . 1 . . . . A 129 TRP HZ3 . 34395 1 1494 . 1 1 134 134 TRP HH2 H 1 7.136 0.02 . 1 . . . . A 129 TRP HH2 . 34395 1 1495 . 1 1 134 134 TRP CA C 13 57.255 0.1 . 1 . . . . A 129 TRP CA . 34395 1 1496 . 1 1 134 134 TRP CB C 13 29.016 0.1 . 1 . . . . A 129 TRP CB . 34395 1 1497 . 1 1 134 134 TRP CD1 C 13 127.440 0.1 . 1 . . . . A 129 TRP CD1 . 34395 1 1498 . 1 1 134 134 TRP CE3 C 13 120.957 0.1 . 1 . . . . A 129 TRP CE3 . 34395 1 1499 . 1 1 134 134 TRP CZ2 C 13 114.393 0.1 . 1 . . . . A 129 TRP CZ2 . 34395 1 1500 . 1 1 134 134 TRP CZ3 C 13 121.952 0.1 . 1 . . . . A 129 TRP CZ3 . 34395 1 1501 . 1 1 134 134 TRP CH2 C 13 124.438 0.1 . 1 . . . . A 129 TRP CH2 . 34395 1 1502 . 1 1 134 134 TRP N N 15 119.015 0.1 . 1 . . . . A 129 TRP N . 34395 1 1503 . 1 1 134 134 TRP NE1 N 15 129.151 0.1 . 1 . . . . A 129 TRP NE1 . 34395 1 1504 . 1 1 135 135 VAL H H 1 7.476 0.02 . 1 . . . . A 130 VAL H . 34395 1 1505 . 1 1 135 135 VAL HA H 1 3.694 0.02 . 1 . . . . A 130 VAL HA . 34395 1 1506 . 1 1 135 135 VAL HB H 1 1.897 0.02 . 1 . . . . A 130 VAL HB . 34395 1 1507 . 1 1 135 135 VAL HG11 H 1 0.773 0.02 . 2 . . . . A 130 VAL HG11 . 34395 1 1508 . 1 1 135 135 VAL HG12 H 1 0.773 0.02 . 2 . . . . A 130 VAL HG12 . 34395 1 1509 . 1 1 135 135 VAL HG13 H 1 0.773 0.02 . 2 . . . . A 130 VAL HG13 . 34395 1 1510 . 1 1 135 135 VAL HG21 H 1 0.619 0.02 . 2 . . . . A 130 VAL HG21 . 34395 1 1511 . 1 1 135 135 VAL HG22 H 1 0.619 0.02 . 2 . . . . A 130 VAL HG22 . 34395 1 1512 . 1 1 135 135 VAL HG23 H 1 0.619 0.02 . 2 . . . . A 130 VAL HG23 . 34395 1 1513 . 1 1 135 135 VAL CA C 13 62.762 0.1 . 1 . . . . A 130 VAL CA . 34395 1 1514 . 1 1 135 135 VAL CB C 13 32.455 0.1 . 1 . . . . A 130 VAL CB . 34395 1 1515 . 1 1 135 135 VAL CG1 C 13 21.158 0.1 . 2 . . . . A 130 VAL CG1 . 34395 1 1516 . 1 1 135 135 VAL CG2 C 13 21.011 0.1 . 2 . . . . A 130 VAL CG2 . 34395 1 1517 . 1 1 135 135 VAL N N 15 120.977 0.1 . 1 . . . . A 130 VAL N . 34395 1 1518 . 1 1 136 136 LYS H H 1 7.955 0.02 . 1 . . . . A 131 LYS H . 34395 1 1519 . 1 1 136 136 LYS HA H 1 4.126 0.02 . 1 . . . . A 131 LYS HA . 34395 1 1520 . 1 1 136 136 LYS HB2 H 1 1.688 0.02 . 2 . . . . A 131 LYS HB2 . 34395 1 1521 . 1 1 136 136 LYS HB3 H 1 1.745 0.02 . 2 . . . . A 131 LYS HB3 . 34395 1 1522 . 1 1 136 136 LYS HG2 H 1 1.331 0.02 . 2 . . . . A 131 LYS HG2 . 34395 1 1523 . 1 1 136 136 LYS HG3 H 1 1.401 0.02 . 2 . . . . A 131 LYS HG3 . 34395 1 1524 . 1 1 136 136 LYS HD2 H 1 1.625 0.02 . 1 . . . . A 131 LYS HD2 . 34395 1 1525 . 1 1 136 136 LYS HD3 H 1 1.625 0.02 . 1 . . . . A 131 LYS HD3 . 34395 1 1526 . 1 1 136 136 LYS HE2 H 1 2.907 0.02 . 1 . . . . A 131 LYS HE2 . 34395 1 1527 . 1 1 136 136 LYS HE3 H 1 2.907 0.02 . 1 . . . . A 131 LYS HE3 . 34395 1 1528 . 1 1 136 136 LYS CA C 13 56.435 0.1 . 1 . . . . A 131 LYS CA . 34395 1 1529 . 1 1 136 136 LYS CB C 13 33.053 0.1 . 1 . . . . A 131 LYS CB . 34395 1 1530 . 1 1 136 136 LYS CG C 13 24.721 0.1 . 1 . . . . A 131 LYS CG . 34395 1 1531 . 1 1 136 136 LYS CD C 13 28.993 0.1 . 1 . . . . A 131 LYS CD . 34395 1 1532 . 1 1 136 136 LYS CE C 13 41.824 0.1 . 1 . . . . A 131 LYS CE . 34395 1 1533 . 1 1 136 136 LYS N N 15 124.076 0.1 . 1 . . . . A 131 LYS N . 34395 1 1534 . 1 1 137 137 GLN H H 1 8.238 0.02 . 1 . . . . A 132 GLN H . 34395 1 1535 . 1 1 137 137 GLN HA H 1 4.237 0.02 . 1 . . . . A 132 GLN HA . 34395 1 1536 . 1 1 137 137 GLN HB2 H 1 2.056 0.02 . 2 . . . . A 132 GLN HB2 . 34395 1 1537 . 1 1 137 137 GLN HB3 H 1 1.916 0.02 . 2 . . . . A 132 GLN HB3 . 34395 1 1538 . 1 1 137 137 GLN HG2 H 1 2.289 0.02 . 1 . . . . A 132 GLN HG2 . 34395 1 1539 . 1 1 137 137 GLN HG3 H 1 2.289 0.02 . 1 . . . . A 132 GLN HG3 . 34395 1 1540 . 1 1 137 137 GLN HE21 H 1 6.835 0.02 . 2 . . . . A 132 GLN HE21 . 34395 1 1541 . 1 1 137 137 GLN HE22 H 1 7.515 0.02 . 2 . . . . A 132 GLN HE22 . 34395 1 1542 . 1 1 137 137 GLN CA C 13 55.707 0.1 . 1 . . . . A 132 GLN CA . 34395 1 1543 . 1 1 137 137 GLN CB C 13 29.322 0.1 . 1 . . . . A 132 GLN CB . 34395 1 1544 . 1 1 137 137 GLN CG C 13 33.718 0.1 . 1 . . . . A 132 GLN CG . 34395 1 1545 . 1 1 137 137 GLN N N 15 122.781 0.1 . 1 . . . . A 132 GLN N . 34395 1 1546 . 1 1 137 137 GLN NE2 N 15 112.723 0.1 . 1 . . . . A 132 GLN NE2 . 34395 1 1547 . 1 1 138 138 GLU H H 1 7.931 0.02 . 1 . . . . A 133 GLU H . 34395 1 1548 . 1 1 138 138 GLU HA H 1 4.045 0.02 . 1 . . . . A 133 GLU HA . 34395 1 1549 . 1 1 138 138 GLU HB2 H 1 1.966 0.02 . 2 . . . . A 133 GLU HB2 . 34395 1 1550 . 1 1 138 138 GLU HB3 H 1 1.786 0.02 . 2 . . . . A 133 GLU HB3 . 34395 1 1551 . 1 1 138 138 GLU HG2 H 1 2.096 0.02 . 1 . . . . A 133 GLU HG2 . 34395 1 1552 . 1 1 138 138 GLU HG3 H 1 2.096 0.02 . 1 . . . . A 133 GLU HG3 . 34395 1 1553 . 1 1 138 138 GLU CA C 13 57.802 0.1 . 1 . . . . A 133 GLU CA . 34395 1 1554 . 1 1 138 138 GLU CB C 13 31.141 0.1 . 1 . . . . A 133 GLU CB . 34395 1 1555 . 1 1 138 138 GLU CG C 13 36.590 0.1 . 1 . . . . A 133 GLU CG . 34395 1 1556 . 1 1 138 138 GLU N N 15 127.538 0.1 . 1 . . . . A 133 GLU N . 34395 1 1557 . 2 2 2 2 GLN HA H 1 4.364 0.02 . 1 . . . . B 150 GLN HA . 34395 1 1558 . 2 2 2 2 GLN HB2 H 1 1.915 0.02 . 2 . . . . B 150 GLN HB2 . 34395 1 1559 . 2 2 2 2 GLN HB3 H 1 2.018 0.02 . 2 . . . . B 150 GLN HB3 . 34395 1 1560 . 2 2 3 3 ILE H H 1 8.309 0.02 . 1 . . . . B 151 ILE H . 34395 1 1561 . 2 2 3 3 ILE HA H 1 4.152 0.02 . 1 . . . . B 151 ILE HA . 34395 1 1562 . 2 2 3 3 ILE HB H 1 1.786 0.02 . 1 . . . . B 151 ILE HB . 34395 1 1563 . 2 2 3 3 ILE HG12 H 1 1.121 0.02 . 1 . . . . B 151 ILE HG12 . 34395 1 1564 . 2 2 3 3 ILE HG13 H 1 1.121 0.02 . 1 . . . . B 151 ILE HG13 . 34395 1 1565 . 2 2 3 3 ILE HG21 H 1 0.830 0.02 . 1 . . . . B 151 ILE HG21 . 34395 1 1566 . 2 2 3 3 ILE HG22 H 1 0.830 0.02 . 1 . . . . B 151 ILE HG22 . 34395 1 1567 . 2 2 3 3 ILE HG23 H 1 0.830 0.02 . 1 . . . . B 151 ILE HG23 . 34395 1 1568 . 2 2 3 3 ILE HD11 H 1 0.774 0.02 . 1 . . . . B 151 ILE HD11 . 34395 1 1569 . 2 2 3 3 ILE HD12 H 1 0.774 0.02 . 1 . . . . B 151 ILE HD12 . 34395 1 1570 . 2 2 3 3 ILE HD13 H 1 0.774 0.02 . 1 . . . . B 151 ILE HD13 . 34395 1 1571 . 2 2 4 4 THR H H 1 8.173 0.02 . 1 . . . . B 152 THR H . 34395 1 1572 . 2 2 4 4 THR HA H 1 4.323 0.02 . 1 . . . . B 152 THR HA . 34395 1 1573 . 2 2 4 4 THR HB H 1 4.161 0.02 . 1 . . . . B 152 THR HB . 34395 1 1574 . 2 2 4 4 THR HG21 H 1 1.134 0.02 . 1 . . . . B 152 THR HG21 . 34395 1 1575 . 2 2 4 4 THR HG22 H 1 1.134 0.02 . 1 . . . . B 152 THR HG22 . 34395 1 1576 . 2 2 4 4 THR HG23 H 1 1.134 0.02 . 1 . . . . B 152 THR HG23 . 34395 1 1577 . 2 2 5 5 SER H H 1 8.255 0.02 . 1 . . . . B 153 SER H . 34395 1 1578 . 2 2 5 5 SER HA H 1 4.370 0.02 . 1 . . . . B 153 SER HA . 34395 1 1579 . 2 2 5 5 SER HB2 H 1 3.754 0.02 . 2 . . . . B 153 SER HB2 . 34395 1 1580 . 2 2 5 5 SER HB3 H 1 3.789 0.02 . 2 . . . . B 153 SER HB3 . 34395 1 1581 . 2 2 6 6 GLN H H 1 8.255 0.02 . 1 . . . . B 154 GLN H . 34395 1 1582 . 2 2 6 6 GLN HA H 1 4.315 0.02 . 1 . . . . B 154 GLN HA . 34395 1 1583 . 2 2 6 6 GLN HB2 H 1 1.850 0.02 . 1 . . . . B 154 GLN HB2 . 34395 1 1584 . 2 2 6 6 GLN HB3 H 1 1.996 0.02 . 1 . . . . B 154 GLN HB3 . 34395 1 1585 . 2 2 6 6 GLN HG2 H 1 2.232 0.02 . 2 . . . . B 154 GLN HG2 . 34395 1 1586 . 2 2 6 6 GLN HG3 H 1 2.234 0.02 . 2 . . . . B 154 GLN HG3 . 34395 1 1587 . 2 2 6 6 GLN HE21 H 1 7.427 0.02 . 2 . . . . B 154 GLN HE21 . 34395 1 1588 . 2 2 6 6 GLN HE22 H 1 6.729 0.02 . 2 . . . . B 154 GLN HE22 . 34395 1 1589 . 2 2 7 7 VAL H H 1 8.018 0.02 . 1 . . . . B 155 VAL H . 34395 1 1590 . 2 2 7 7 VAL HA H 1 4.077 0.02 . 1 . . . . B 155 VAL HA . 34395 1 1591 . 2 2 7 7 VAL HB H 1 2.036 0.02 . 1 . . . . B 155 VAL HB . 34395 1 1592 . 2 2 7 7 VAL HG11 H 1 0.757 0.02 . 1 . . . . B 155 VAL HG11 . 34395 1 1593 . 2 2 7 7 VAL HG12 H 1 0.757 0.02 . 1 . . . . B 155 VAL HG12 . 34395 1 1594 . 2 2 7 7 VAL HG13 H 1 0.757 0.02 . 1 . . . . B 155 VAL HG13 . 34395 1 1595 . 2 2 7 7 VAL HG21 H 1 0.757 0.02 . 1 . . . . B 155 VAL HG21 . 34395 1 1596 . 2 2 7 7 VAL HG22 H 1 0.757 0.02 . 1 . . . . B 155 VAL HG22 . 34395 1 1597 . 2 2 7 7 VAL HG23 H 1 0.757 0.02 . 1 . . . . B 155 VAL HG23 . 34395 1 1598 . 2 2 8 8 TPO H H 1 8.440 0.02 . 1 . . . . B 156 TPO H . 34395 1 1599 . 2 2 8 8 TPO HA H 1 4.386 0.02 . 1 . . . . B 156 TPO HA . 34395 1 1600 . 2 2 8 8 TPO HB H 1 4.069 0.02 . 1 . . . . B 156 TPO HB . 34395 1 1601 . 2 2 8 8 TPO HG21 H 1 1.190 0.02 . 1 . . . . B 156 TPO HG21 . 34395 1 1602 . 2 2 8 8 TPO HG22 H 1 1.190 0.02 . 1 . . . . B 156 TPO HG22 . 34395 1 1603 . 2 2 8 8 TPO HG23 H 1 1.190 0.02 . 1 . . . . B 156 TPO HG23 . 34395 1 1604 . 2 2 9 9 GLY H H 1 8.439 0.02 . 1 . . . . B 157 GLY H . 34395 1 1605 . 2 2 9 9 GLY HA2 H 1 3.716 0.02 . 2 . . . . B 157 GLY HA2 . 34395 1 1606 . 2 2 9 9 GLY HA3 H 1 3.958 0.02 . 2 . . . . B 157 GLY HA3 . 34395 1 1607 . 2 2 10 10 GLN H H 1 7.919 0.02 . 1 . . . . B 158 GLN H . 34395 1 1608 . 2 2 10 10 GLN HA H 1 4.253 0.02 . 1 . . . . B 158 GLN HA . 34395 1 1609 . 2 2 10 10 GLN HB2 H 1 1.847 0.02 . 2 . . . . B 158 GLN HB2 . 34395 1 1610 . 2 2 10 10 GLN HB3 H 1 1.995 0.02 . 2 . . . . B 158 GLN HB3 . 34395 1 1611 . 2 2 10 10 GLN HG2 H 1 2.159 0.02 . 1 . . . . B 158 GLN HG2 . 34395 1 1612 . 2 2 10 10 GLN HG3 H 1 2.159 0.02 . 1 . . . . B 158 GLN HG3 . 34395 1 1613 . 2 2 10 10 GLN HE21 H 1 7.411 0.02 . 2 . . . . B 158 GLN HE21 . 34395 1 1614 . 2 2 10 10 GLN HE22 H 1 6.704 0.02 . 2 . . . . B 158 GLN HE22 . 34395 1 1615 . 2 2 11 11 ILE H H 1 8.112 0.02 . 1 . . . . B 159 ILE H . 34395 1 1616 . 2 2 11 11 ILE HA H 1 4.031 0.02 . 1 . . . . B 159 ILE HA . 34395 1 1617 . 2 2 11 11 ILE HB H 1 1.755 0.02 . 1 . . . . B 159 ILE HB . 34395 1 1618 . 2 2 11 11 ILE HG12 H 1 1.350 0.02 . 2 . . . . B 159 ILE HG12 . 34395 1 1619 . 2 2 11 11 ILE HG13 H 1 1.087 0.02 . 2 . . . . B 159 ILE HG13 . 34395 1 1620 . 2 2 11 11 ILE HG21 H 1 0.753 0.02 . 1 . . . . B 159 ILE HG21 . 34395 1 1621 . 2 2 11 11 ILE HG22 H 1 0.753 0.02 . 1 . . . . B 159 ILE HG22 . 34395 1 1622 . 2 2 11 11 ILE HG23 H 1 0.753 0.02 . 1 . . . . B 159 ILE HG23 . 34395 1 1623 . 2 2 11 11 ILE HD11 H 1 0.843 0.02 . 1 . . . . B 159 ILE HD11 . 34395 1 1624 . 2 2 11 11 ILE HD12 H 1 0.843 0.02 . 1 . . . . B 159 ILE HD12 . 34395 1 1625 . 2 2 11 11 ILE HD13 H 1 0.843 0.02 . 1 . . . . B 159 ILE HD13 . 34395 1 1626 . 2 2 12 12 GLY H H 1 8.370 0.02 . 1 . . . . B 160 GLY H . 34395 1 1627 . 2 2 12 12 GLY HA2 H 1 3.791 0.02 . 2 . . . . B 160 GLY HA2 . 34395 1 1628 . 2 2 12 12 GLY HA3 H 1 3.886 0.02 . 2 . . . . B 160 GLY HA3 . 34395 1 1629 . 2 2 13 13 TRP H H 1 7.821 0.02 . 1 . . . . B 161 TRP H . 34395 1 1630 . 2 2 13 13 TRP HA H 1 4.523 0.02 . 1 . . . . B 161 TRP HA . 34395 1 1631 . 2 2 13 13 TRP HB2 H 1 3.171 0.02 . 1 . . . . B 161 TRP HB2 . 34395 1 1632 . 2 2 13 13 TRP HB3 H 1 3.171 0.02 . 1 . . . . B 161 TRP HB3 . 34395 1 1633 . 2 2 13 13 TRP HD1 H 1 7.145 0.02 . 1 . . . . B 161 TRP HD1 . 34395 1 1634 . 2 2 13 13 TRP HE1 H 1 10.042 0.02 . 1 . . . . B 161 TRP HE1 . 34395 1 1635 . 2 2 13 13 TRP HE3 H 1 7.465 0.02 . 1 . . . . B 161 TRP HE3 . 34395 1 1636 . 2 2 13 13 TRP HZ2 H 1 7.378 0.02 . 1 . . . . B 161 TRP HZ2 . 34395 1 1637 . 2 2 13 13 TRP HZ3 H 1 6.995 0.02 . 1 . . . . B 161 TRP HZ3 . 34395 1 1638 . 2 2 13 13 TRP HH2 H 1 7.096 0.02 . 1 . . . . B 161 TRP HH2 . 34395 1 1639 . 2 2 14 14 ARG H H 1 7.856 0.02 . 1 . . . . B 162 ARG H . 34395 1 1640 . 2 2 14 14 ARG HA H 1 4.111 0.02 . 1 . . . . B 162 ARG HA . 34395 1 1641 . 2 2 14 14 ARG HB2 H 1 1.646 0.02 . 2 . . . . B 162 ARG HB2 . 34395 1 1642 . 2 2 14 14 ARG HB3 H 1 1.461 0.02 . 2 . . . . B 162 ARG HB3 . 34395 1 1643 . 2 2 14 14 ARG HG2 H 1 1.336 0.02 . 1 . . . . B 162 ARG HG2 . 34395 1 1644 . 2 2 14 14 ARG HG3 H 1 1.336 0.02 . 1 . . . . B 162 ARG HG3 . 34395 1 1645 . 2 2 14 14 ARG HD2 H 1 3.007 0.02 . 1 . . . . B 162 ARG HD2 . 34395 1 1646 . 2 2 14 14 ARG HD3 H 1 3.007 0.02 . 1 . . . . B 162 ARG HD3 . 34395 1 1647 . 2 2 14 14 ARG HE H 1 7.032 0.02 . 1 . . . . B 162 ARG HE . 34395 1 1648 . 2 2 15 15 ARG H H 1 7.761 0.02 . 1 . . . . B 163 ARG H . 34395 1 1649 . 2 2 15 15 ARG HA H 1 3.958 0.02 . 1 . . . . B 163 ARG HA . 34395 1 1650 . 2 2 15 15 ARG HB2 H 1 1.693 0.02 . 2 . . . . B 163 ARG HB2 . 34395 1 1651 . 2 2 15 15 ARG HB3 H 1 1.565 0.02 . 2 . . . . B 163 ARG HB3 . 34395 1 1652 . 2 2 15 15 ARG HG2 H 1 1.464 0.02 . 1 . . . . B 163 ARG HG2 . 34395 1 1653 . 2 2 15 15 ARG HG3 H 1 1.464 0.02 . 1 . . . . B 163 ARG HG3 . 34395 1 1654 . 2 2 15 15 ARG HD2 H 1 3.056 0.02 . 1 . . . . B 163 ARG HD2 . 34395 1 1655 . 2 2 15 15 ARG HD3 H 1 3.056 0.02 . 1 . . . . B 163 ARG HD3 . 34395 1 stop_ save_