data_18269 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18269 _Entry.Title ; Solution Structure of N-Terminal domain of human Conserved Dopamine Neurotrophic Factor (CDNF) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-15 _Entry.Accession_date 2012-02-15 _Entry.Last_release_date 2012-06-13 _Entry.Original_release_date 2012-06-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ; Have been shown to protect dopaminergic neurons in vitro and in animal models of Parkinson s disease. Recombinant CDNF- C (amino acids 1-105), produced in bacteria. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Latge Cristiane . . . 18269 2 Cabral Katia . M.S. . 18269 3 Foguel Debora . . . 18269 4 'Jose Ricardo' Pires . M. . 18269 5 Marcius Almeida . S. . 18269 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18269 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID human . 18269 'neurotrophic factor' . 18269 solution . 18269 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18269 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 18269 '15N chemical shifts' 98 18269 '1H chemical shifts' 688 18269 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 . . 2012-06-13 2012-02-15 original author . 18269 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LPN 'BMRB Entry Tracking System' 18269 PDB 2w50 ; Structure solved by X-ray crystallography. Recombinant protein produced in Spodoptera frugiperda. ; 18269 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18269 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22528768 _Citation.Full_citation . _Citation.Title '(1)H-, (13)C- and (15)N-NMR assignment of the N-terminal domain of human cerebral dopamine neurotrophic factor (CDNF)' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cristiane Latge . . . 18269 1 2 Katia Cabral . M.S. . 18269 1 3 Marcius Almeida . S. . 18269 1 4 Debora Foguel . . . 18269 1 stop_ save_ save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18269 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title '1H-, 13C- and 15N-NMR assignment of the N-terminal domain of human cerebral dopamine neurotrophic factor (CDNF).' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cristiane Latge . . . 18269 2 2 Katia Cabral . M.S. . 18269 2 3 Marcius Almeida . S. . 18269 2 4 Debora Foguel . . . 18269 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18269 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of human CDNF' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'N-terminal domain of human CDNF' 1 $CDNF A . yes native no no . . . 18269 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single 1 1 CDNF 1 CYS 45 45 SG 1 1 CDNF 1 CYS 56 56 CYS 1 CDNF 45 CYS SG 1 CDNF 56 CYS SG 18269 1 2 disulfide single 1 1 CDNF 1 CYS 14 14 SG 1 1 CDNF 1 CYS 87 87 CYS 1 CDNF 14 CYS SG 1 CDNF 87 CYS SG 18269 1 3 disulfide single 1 1 CDNF 1 CYS 11 11 SG 1 1 CDNF 1 CYS 98 98 CYS 1 CDNF 11 CYS SG 1 CDNF 98 CYS SG 18269 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CDNF _Entity.Sf_category entity _Entity.Sf_framecode CDNF _Entity.Entry_ID 18269 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; QEAGGRPGADCEVCKEFLNR FYKSLIDRGVNFSLDTIEKE LISFCLDTKGKENRLCYYLG ATKDAATKILSEVTRPMSVH MPAMKICEKLKKLDSQICEL KYEKT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Mature sequence of N-terminal domain.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'CDNF- C' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11965.022 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19164 . CEREBRAL_DOPAMINE_NEUROTROPHIC_FACTOR . . . . . 100.00 161 100.00 100.00 1.33e-69 . . . . 18269 1 2 no PDB 2LPN . "Solution Structure Of N-terminal Domain Of Human Conserved Dopamine Neurotrophic Factor (cdnf)" . . . . . 100.00 105 100.00 100.00 1.07e-69 . . . . 18269 1 3 no PDB 2W50 . "N-Terminal Domain Of Human Conserved Dopamine Neurotrophic Factor (Cdnf)" . . . . . 95.24 102 100.00 100.00 1.68e-65 . . . . 18269 1 4 no PDB 4BIT . "Solution Structure Of Cerebral Dopamine Neurotrophic Factor (cdnf)" . . . . . 99.05 161 100.00 100.00 1.14e-68 . . . . 18269 1 5 no DBJ BAG62825 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 187 100.00 100.00 2.08e-69 . . . . 18269 1 6 no GB AAI33043 . "Arginine-rich, mutated in early stage tumors-like 1 [Homo sapiens]" . . . . . 100.00 187 100.00 100.00 2.08e-69 . . . . 18269 1 7 no GB AAI33045 . "Arginine-rich, mutated in early stage tumors-like 1 [Homo sapiens]" . . . . . 100.00 187 100.00 100.00 2.08e-69 . . . . 18269 1 8 no GB AIC53868 . "CDNF, partial [synthetic construct]" . . . . . 100.00 187 100.00 100.00 2.08e-69 . . . . 18269 1 9 no GB EAW86264 . "arginine-rich, mutated in early stage tumors-like 1, isoform CRA_b [Homo sapiens]" . . . . . 100.00 187 100.00 100.00 2.08e-69 . . . . 18269 1 10 no GB EHH18900 . "Conserved dopamine neurotrophic factor [Macaca mulatta]" . . . . . 100.00 187 100.00 100.00 1.88e-69 . . . . 18269 1 11 no REF NP_001025125 . "cerebral dopamine neurotrophic factor precursor [Homo sapiens]" . . . . . 100.00 187 100.00 100.00 2.08e-69 . . . . 18269 1 12 no REF NP_001180755 . "cerebral dopamine neurotrophic factor precursor [Macaca mulatta]" . . . . . 100.00 187 100.00 100.00 1.88e-69 . . . . 18269 1 13 no REF XP_002820588 . "PREDICTED: cerebral dopamine neurotrophic factor isoform X1 [Pongo abelii]" . . . . . 100.00 187 99.05 100.00 6.81e-69 . . . . 18269 1 14 no REF XP_003257694 . "PREDICTED: cerebral dopamine neurotrophic factor [Nomascus leucogenys]" . . . . . 100.00 187 98.10 100.00 3.60e-68 . . . . 18269 1 15 no REF XP_003806807 . "PREDICTED: cerebral dopamine neurotrophic factor [Pan paniscus]" . . . . . 100.00 187 98.10 98.10 2.07e-67 . . . . 18269 1 16 no SP Q49AH0 . "RecName: Full=Cerebral dopamine neurotrophic factor; AltName: Full=ARMET-like protein 1; AltName: Full=Conserved dopamine neuro" . . . . . 100.00 187 100.00 100.00 2.08e-69 . . . . 18269 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 . GLN . 18269 1 2 . GLU . 18269 1 3 . ALA . 18269 1 4 . GLY . 18269 1 5 . GLY . 18269 1 6 . ARG . 18269 1 7 . PRO . 18269 1 8 . GLY . 18269 1 9 . ALA . 18269 1 10 . ASP . 18269 1 11 . CYS . 18269 1 12 . GLU . 18269 1 13 . VAL . 18269 1 14 . CYS . 18269 1 15 . LYS . 18269 1 16 . GLU . 18269 1 17 . PHE . 18269 1 18 . LEU . 18269 1 19 . ASN . 18269 1 20 . ARG . 18269 1 21 . PHE . 18269 1 22 . TYR . 18269 1 23 . LYS . 18269 1 24 . SER . 18269 1 25 . LEU . 18269 1 26 . ILE . 18269 1 27 . ASP . 18269 1 28 . ARG . 18269 1 29 . GLY . 18269 1 30 . VAL . 18269 1 31 . ASN . 18269 1 32 . PHE . 18269 1 33 . SER . 18269 1 34 . LEU . 18269 1 35 . ASP . 18269 1 36 . THR . 18269 1 37 . ILE . 18269 1 38 . GLU . 18269 1 39 . LYS . 18269 1 40 . GLU . 18269 1 41 . LEU . 18269 1 42 . ILE . 18269 1 43 . SER . 18269 1 44 . PHE . 18269 1 45 . CYS . 18269 1 46 . LEU . 18269 1 47 . ASP . 18269 1 48 . THR . 18269 1 49 . LYS . 18269 1 50 . GLY . 18269 1 51 . LYS . 18269 1 52 . GLU . 18269 1 53 . ASN . 18269 1 54 . ARG . 18269 1 55 . LEU . 18269 1 56 . CYS . 18269 1 57 . TYR . 18269 1 58 . TYR . 18269 1 59 . LEU . 18269 1 60 . GLY . 18269 1 61 . ALA . 18269 1 62 . THR . 18269 1 63 . LYS . 18269 1 64 . ASP . 18269 1 65 . ALA . 18269 1 66 . ALA . 18269 1 67 . THR . 18269 1 68 . LYS . 18269 1 69 . ILE . 18269 1 70 . LEU . 18269 1 71 . SER . 18269 1 72 . GLU . 18269 1 73 . VAL . 18269 1 74 . THR . 18269 1 75 . ARG . 18269 1 76 . PRO . 18269 1 77 . MET . 18269 1 78 . SER . 18269 1 79 . VAL . 18269 1 80 . HIS . 18269 1 81 . MET . 18269 1 82 . PRO . 18269 1 83 . ALA . 18269 1 84 . MET . 18269 1 85 . LYS . 18269 1 86 . ILE . 18269 1 87 . CYS . 18269 1 88 . GLU . 18269 1 89 . LYS . 18269 1 90 . LEU . 18269 1 91 . LYS . 18269 1 92 . LYS . 18269 1 93 . LEU . 18269 1 94 . ASP . 18269 1 95 . SER . 18269 1 96 . GLN . 18269 1 97 . ILE . 18269 1 98 . CYS . 18269 1 99 . GLU . 18269 1 100 . LEU . 18269 1 101 . LYS . 18269 1 102 . TYR . 18269 1 103 . GLU . 18269 1 104 . LYS . 18269 1 105 . THR . 18269 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 . GLN 1 1 18269 1 . GLU 2 2 18269 1 . ALA 3 3 18269 1 . GLY 4 4 18269 1 . GLY 5 5 18269 1 . ARG 6 6 18269 1 . PRO 7 7 18269 1 . GLY 8 8 18269 1 . ALA 9 9 18269 1 . ASP 10 10 18269 1 . CYS 11 11 18269 1 . GLU 12 12 18269 1 . VAL 13 13 18269 1 . CYS 14 14 18269 1 . LYS 15 15 18269 1 . GLU 16 16 18269 1 . PHE 17 17 18269 1 . LEU 18 18 18269 1 . ASN 19 19 18269 1 . ARG 20 20 18269 1 . PHE 21 21 18269 1 . TYR 22 22 18269 1 . LYS 23 23 18269 1 . SER 24 24 18269 1 . LEU 25 25 18269 1 . ILE 26 26 18269 1 . ASP 27 27 18269 1 . ARG 28 28 18269 1 . GLY 29 29 18269 1 . VAL 30 30 18269 1 . ASN 31 31 18269 1 . PHE 32 32 18269 1 . SER 33 33 18269 1 . LEU 34 34 18269 1 . ASP 35 35 18269 1 . THR 36 36 18269 1 . ILE 37 37 18269 1 . GLU 38 38 18269 1 . LYS 39 39 18269 1 . GLU 40 40 18269 1 . LEU 41 41 18269 1 . ILE 42 42 18269 1 . SER 43 43 18269 1 . PHE 44 44 18269 1 . CYS 45 45 18269 1 . LEU 46 46 18269 1 . ASP 47 47 18269 1 . THR 48 48 18269 1 . LYS 49 49 18269 1 . GLY 50 50 18269 1 . LYS 51 51 18269 1 . GLU 52 52 18269 1 . ASN 53 53 18269 1 . ARG 54 54 18269 1 . LEU 55 55 18269 1 . CYS 56 56 18269 1 . TYR 57 57 18269 1 . TYR 58 58 18269 1 . LEU 59 59 18269 1 . GLY 60 60 18269 1 . ALA 61 61 18269 1 . THR 62 62 18269 1 . LYS 63 63 18269 1 . ASP 64 64 18269 1 . ALA 65 65 18269 1 . ALA 66 66 18269 1 . THR 67 67 18269 1 . LYS 68 68 18269 1 . ILE 69 69 18269 1 . LEU 70 70 18269 1 . SER 71 71 18269 1 . GLU 72 72 18269 1 . VAL 73 73 18269 1 . THR 74 74 18269 1 . ARG 75 75 18269 1 . PRO 76 76 18269 1 . MET 77 77 18269 1 . SER 78 78 18269 1 . VAL 79 79 18269 1 . HIS 80 80 18269 1 . MET 81 81 18269 1 . PRO 82 82 18269 1 . ALA 83 83 18269 1 . MET 84 84 18269 1 . LYS 85 85 18269 1 . ILE 86 86 18269 1 . CYS 87 87 18269 1 . GLU 88 88 18269 1 . LYS 89 89 18269 1 . LEU 90 90 18269 1 . LYS 91 91 18269 1 . LYS 92 92 18269 1 . LEU 93 93 18269 1 . ASP 94 94 18269 1 . SER 95 95 18269 1 . GLN 96 96 18269 1 . ILE 97 97 18269 1 . CYS 98 98 18269 1 . GLU 99 99 18269 1 . LEU 100 100 18269 1 . LYS 101 101 18269 1 . TYR 102 102 18269 1 . GLU 103 103 18269 1 . LYS 104 104 18269 1 . THR 105 105 18269 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18269 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CDNF . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18269 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 18269 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CDNF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta Gami B (DE3)' . . . . . . . . . . . . . . . pET25b . . . 'Synthetic cDNA optimized for expression in E. coli.' . . 18269 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18269 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CDNF '[U-100% 13C; U-100% 15N]' . . 1 $CDNF . . 0.7 . . mM . . . . 18269 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 18269 1 3 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 18269 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18269 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18269 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18269 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18269 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Sample stable for at least several months.' 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' 175 . mM 18269 1 pH 6.0 . pH 18269 1 pressure 1 . atm 18269 1 temperature 298 . K 18269 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18269 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18269 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 18269 1 refinement 18269 1 'structure solution' 18269 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18269 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18269 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18269 2 processing 18269 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18269 _Software.ID 3 _Software.Name CARA _Software.Version 1.8.4.2. _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18269 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18269 3 'data analysis' 18269 3 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 18269 _Software.ID 4 _Software.Name CNSSOLVE _Software.Version 1.1. _Software.Details 'Water refinement using RECOORD protocol.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18269 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18269 4 'structure solution' 18269 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18269 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Using xyz-axis gradient 5 mm triple resonance probe.' _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 18269 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker 'Avance III' . 800 'Using xyz-axis gradient 5 mm triple resonance probe.' . . 18269 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 18269 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18269 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18269 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18269 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18269 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18269 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18269 1 7 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18269 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18269 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18269 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18269 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18269 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '1H chemical shifts were referenced to internal 3- (trimethyl-silyl)-1-propanesulfonic acid, sodium salt (DSS). The 13C and 15N chemical shifts were referenced indirectly to DSS.' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18269 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18269 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18269 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18269 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18269 1 2 '3D CBCA(CO)NH' . . . 18269 1 3 '3D HNCA' . . . 18269 1 4 '3D HNCACB' . . . 18269 1 5 '3D HBHA(CO)NH' . . . 18269 1 6 '3D HCCH-TOCSY' . . . 18269 1 7 '3D 1H-15N TOCSY' . . . 18269 1 9 '3D 1H-13C NOESY' . . . 18269 1 10 '2D 1H-13C HSQC' . . . 18269 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN HA H 1 4.398 0.03 . 1 . . . A 1 GLN HA . 18269 1 2 . 1 1 1 1 GLN HB2 H 1 2.091 0.03 . 2 . . . A 1 GLN HB2 . 18269 1 3 . 1 1 1 1 GLN HB3 H 1 2.558 0.03 . 2 . . . A 1 GLN HB3 . 18269 1 4 . 1 1 1 1 GLN HG2 H 1 2.451 0.03 . 2 . . . A 1 GLN HG2 . 18269 1 5 . 1 1 1 1 GLN CA C 13 59.469 0.40 . 1 . . . A 1 GLN CA . 18269 1 6 . 1 1 1 1 GLN CB C 13 27.865 0.40 . 1 . . . A 1 GLN CB . 18269 1 7 . 1 1 1 1 GLN CG C 13 31.968 0.40 . 1 . . . A 1 GLN CG . 18269 1 8 . 1 1 2 2 GLU H H 1 8.621 0.03 . 1 . . . A 2 GLU H . 18269 1 9 . 1 1 2 2 GLU HA H 1 4.294 0.03 . 1 . . . A 2 GLU HA . 18269 1 10 . 1 1 2 2 GLU HB2 H 1 1.902 0.03 . 2 . . . A 2 GLU HB2 . 18269 1 11 . 1 1 2 2 GLU HB3 H 1 2.076 0.03 . 2 . . . A 2 GLU HB3 . 18269 1 12 . 1 1 2 2 GLU HG2 H 1 2.287 0.03 . 2 . . . A 2 GLU HG2 . 18269 1 13 . 1 1 2 2 GLU CA C 13 56.517 0.40 . 1 . . . A 2 GLU CA . 18269 1 14 . 1 1 2 2 GLU CB C 13 30.151 0.40 . 1 . . . A 2 GLU CB . 18269 1 15 . 1 1 2 2 GLU CG C 13 36.096 0.40 . 1 . . . A 2 GLU CG . 18269 1 16 . 1 1 2 2 GLU N N 15 121.590 0.40 . 1 . . . A 2 GLU N . 18269 1 17 . 1 1 3 3 ALA H H 1 8.598 0.03 . 1 . . . A 3 ALA H . 18269 1 18 . 1 1 3 3 ALA HA H 1 4.366 0.03 . 1 . . . A 3 ALA HA . 18269 1 19 . 1 1 3 3 ALA HB1 H 1 1.427 0.03 . 1 . . . A 3 ALA HB1 . 18269 1 20 . 1 1 3 3 ALA HB2 H 1 1.427 0.03 . 1 . . . A 3 ALA HB2 . 18269 1 21 . 1 1 3 3 ALA HB3 H 1 1.427 0.03 . 1 . . . A 3 ALA HB3 . 18269 1 22 . 1 1 3 3 ALA CA C 13 52.657 0.40 . 1 . . . A 3 ALA CA . 18269 1 23 . 1 1 3 3 ALA CB C 13 18.947 0.40 . 1 . . . A 3 ALA CB . 18269 1 24 . 1 1 3 3 ALA N N 15 125.815 0.40 . 1 . . . A 3 ALA N . 18269 1 25 . 1 1 4 4 GLY H H 1 8.487 0.03 . 1 . . . A 4 GLY H . 18269 1 26 . 1 1 4 4 GLY HA2 H 1 3.977 0.03 . 2 . . . A 4 GLY HA2 . 18269 1 27 . 1 1 4 4 GLY CA C 13 45.137 0.40 . 1 . . . A 4 GLY CA . 18269 1 28 . 1 1 4 4 GLY N N 15 108.386 0.40 . 1 . . . A 4 GLY N . 18269 1 29 . 1 1 5 5 GLY H H 1 8.274 0.03 . 1 . . . A 5 GLY H . 18269 1 30 . 1 1 5 5 GLY HA2 H 1 3.979 0.03 . 2 . . . A 5 GLY HA2 . 18269 1 31 . 1 1 5 5 GLY CA C 13 44.754 0.40 . 1 . . . A 5 GLY CA . 18269 1 32 . 1 1 5 5 GLY N N 15 108.367 0.40 . 1 . . . A 5 GLY N . 18269 1 33 . 1 1 6 6 ARG H H 1 8.297 0.03 . 1 . . . A 6 ARG H . 18269 1 34 . 1 1 6 6 ARG HA H 1 4.675 0.03 . 1 . . . A 6 ARG HA . 18269 1 35 . 1 1 6 6 ARG HB2 H 1 1.771 0.03 . 2 . . . A 6 ARG HB2 . 18269 1 36 . 1 1 6 6 ARG HB3 H 1 1.888 0.03 . 2 . . . A 6 ARG HB3 . 18269 1 37 . 1 1 6 6 ARG HG2 H 1 1.697 0.03 . 2 . . . A 6 ARG HG2 . 18269 1 38 . 1 1 6 6 ARG HD2 H 1 3.245 0.03 . 2 . . . A 6 ARG HD2 . 18269 1 39 . 1 1 6 6 ARG HE H 1 7.309 0.03 . 1 . . . A 6 ARG HE . 18269 1 40 . 1 1 6 6 ARG CA C 13 53.881 0.40 . 1 . . . A 6 ARG CA . 18269 1 41 . 1 1 6 6 ARG CB C 13 30.135 0.40 . 1 . . . A 6 ARG CB . 18269 1 42 . 1 1 6 6 ARG CG C 13 26.816 0.40 . 1 . . . A 6 ARG CG . 18269 1 43 . 1 1 6 6 ARG CD C 13 43.242 0.40 . 1 . . . A 6 ARG CD . 18269 1 44 . 1 1 6 6 ARG N N 15 121.577 0.40 . 1 . . . A 6 ARG N . 18269 1 45 . 1 1 6 6 ARG NE N 15 84.683 0.40 . 1 . . . A 6 ARG NE . 18269 1 46 . 1 1 7 7 PRO HA H 1 4.491 0.03 . 1 . . . A 7 PRO HA . 18269 1 47 . 1 1 7 7 PRO HB2 H 1 2.356 0.03 . 2 . . . A 7 PRO HB2 . 18269 1 48 . 1 1 7 7 PRO HB3 H 1 1.979 0.03 . 2 . . . A 7 PRO HB3 . 18269 1 49 . 1 1 7 7 PRO HG2 H 1 2.057 0.03 . 2 . . . A 7 PRO HG2 . 18269 1 50 . 1 1 7 7 PRO HG3 H 1 2.096 0.03 . 2 . . . A 7 PRO HG3 . 18269 1 51 . 1 1 7 7 PRO HD2 H 1 3.694 0.03 . 2 . . . A 7 PRO HD2 . 18269 1 52 . 1 1 7 7 PRO HD3 H 1 3.872 0.03 . 2 . . . A 7 PRO HD3 . 18269 1 53 . 1 1 7 7 PRO CA C 13 63.353 0.40 . 1 . . . A 7 PRO CA . 18269 1 54 . 1 1 7 7 PRO CB C 13 32.047 0.40 . 1 . . . A 7 PRO CB . 18269 1 55 . 1 1 7 7 PRO CG C 13 27.363 0.40 . 1 . . . A 7 PRO CG . 18269 1 56 . 1 1 7 7 PRO CD C 13 50.593 0.40 . 1 . . . A 7 PRO CD . 18269 1 57 . 1 1 8 8 GLY H H 1 8.660 0.03 . 1 . . . A 8 GLY H . 18269 1 58 . 1 1 8 8 GLY HA2 H 1 3.977 0.03 . 2 . . . A 8 GLY HA2 . 18269 1 59 . 1 1 8 8 GLY HA3 H 1 4.058 0.03 . 2 . . . A 8 GLY HA3 . 18269 1 60 . 1 1 8 8 GLY CA C 13 45.088 0.40 . 1 . . . A 8 GLY CA . 18269 1 61 . 1 1 8 8 GLY N N 15 109.658 0.40 . 1 . . . A 8 GLY N . 18269 1 62 . 1 1 9 9 ALA H H 1 8.200 0.03 . 1 . . . A 9 ALA H . 18269 1 63 . 1 1 9 9 ALA HA H 1 4.440 0.03 . 1 . . . A 9 ALA HA . 18269 1 64 . 1 1 9 9 ALA HB1 H 1 1.428 0.03 . 1 . . . A 9 ALA HB1 . 18269 1 65 . 1 1 9 9 ALA HB2 H 1 1.428 0.03 . 1 . . . A 9 ALA HB2 . 18269 1 66 . 1 1 9 9 ALA HB3 H 1 1.428 0.03 . 1 . . . A 9 ALA HB3 . 18269 1 67 . 1 1 9 9 ALA CA C 13 51.797 0.40 . 1 . . . A 9 ALA CA . 18269 1 68 . 1 1 9 9 ALA CB C 13 19.279 0.40 . 1 . . . A 9 ALA CB . 18269 1 69 . 1 1 9 9 ALA N N 15 123.995 0.40 . 1 . . . A 9 ALA N . 18269 1 70 . 1 1 10 10 ASP H H 1 8.290 0.03 . 1 . . . A 10 ASP H . 18269 1 71 . 1 1 10 10 ASP HA H 1 4.657 0.03 . 1 . . . A 10 ASP HA . 18269 1 72 . 1 1 10 10 ASP HB2 H 1 2.634 0.03 . 2 . . . A 10 ASP HB2 . 18269 1 73 . 1 1 10 10 ASP HB3 H 1 2.751 0.03 . 2 . . . A 10 ASP HB3 . 18269 1 74 . 1 1 10 10 ASP CA C 13 54.540 0.40 . 1 . . . A 10 ASP CA . 18269 1 75 . 1 1 10 10 ASP CB C 13 41.506 0.40 . 1 . . . A 10 ASP CB . 18269 1 76 . 1 1 10 10 ASP N N 15 119.834 0.40 . 1 . . . A 10 ASP N . 18269 1 77 . 1 1 11 11 CYS HA H 1 4.630 0.03 . 1 . . . A 11 CYS HA . 18269 1 78 . 1 1 11 11 CYS HB2 H 1 3.311 0.03 . 2 . . . A 11 CYS HB2 . 18269 1 79 . 1 1 11 11 CYS CA C 13 54.758 0.40 . 1 . . . A 11 CYS CA . 18269 1 80 . 1 1 11 11 CYS CB C 13 40.460 0.40 . 1 . . . A 11 CYS CB . 18269 1 81 . 1 1 12 12 GLU HA H 1 3.964 0.03 . 1 . . . A 12 GLU HA . 18269 1 82 . 1 1 12 12 GLU HB2 H 1 2.217 0.03 . 2 . . . A 12 GLU HB2 . 18269 1 83 . 1 1 12 12 GLU HB3 H 1 2.494 0.03 . 2 . . . A 12 GLU HB3 . 18269 1 84 . 1 1 12 12 GLU HG2 H 1 2.337 0.03 . 2 . . . A 12 GLU HG2 . 18269 1 85 . 1 1 12 12 GLU HG3 H 1 2.449 0.03 . 2 . . . A 12 GLU HG3 . 18269 1 86 . 1 1 12 12 GLU CA C 13 61.377 0.40 . 1 . . . A 12 GLU CA . 18269 1 87 . 1 1 12 12 GLU CB C 13 31.255 0.40 . 1 . . . A 12 GLU CB . 18269 1 88 . 1 1 12 12 GLU CG C 13 36.735 0.40 . 1 . . . A 12 GLU CG . 18269 1 89 . 1 1 13 13 VAL H H 1 7.040 0.03 . 1 . . . A 13 VAL H . 18269 1 90 . 1 1 13 13 VAL HA H 1 3.746 0.03 . 1 . . . A 13 VAL HA . 18269 1 91 . 1 1 13 13 VAL HB H 1 1.667 0.03 . 1 . . . A 13 VAL HB . 18269 1 92 . 1 1 13 13 VAL HG11 H 1 0.697 0.03 . 2 . . . A 13 VAL HG11 . 18269 1 93 . 1 1 13 13 VAL HG12 H 1 0.697 0.03 . 2 . . . A 13 VAL HG12 . 18269 1 94 . 1 1 13 13 VAL HG13 H 1 0.697 0.03 . 2 . . . A 13 VAL HG13 . 18269 1 95 . 1 1 13 13 VAL HG21 H 1 -0.089 0.03 . 2 . . . A 13 VAL HG21 . 18269 1 96 . 1 1 13 13 VAL HG22 H 1 -0.089 0.03 . 2 . . . A 13 VAL HG22 . 18269 1 97 . 1 1 13 13 VAL HG23 H 1 -0.089 0.03 . 2 . . . A 13 VAL HG23 . 18269 1 98 . 1 1 13 13 VAL CA C 13 65.046 0.40 . 1 . . . A 13 VAL CA . 18269 1 99 . 1 1 13 13 VAL CB C 13 31.218 0.40 . 1 . . . A 13 VAL CB . 18269 1 100 . 1 1 13 13 VAL CG1 C 13 20.582 0.40 . 1 . . . A 13 VAL CG1 . 18269 1 101 . 1 1 13 13 VAL CG2 C 13 21.076 0.40 . 1 . . . A 13 VAL CG2 . 18269 1 102 . 1 1 13 13 VAL N N 15 117.224 0.40 . 1 . . . A 13 VAL N . 18269 1 103 . 1 1 14 14 CYS HA H 1 4.085 0.03 . 1 . . . A 14 CYS HA . 18269 1 104 . 1 1 14 14 CYS HB2 H 1 2.907 0.03 . 2 . . . A 14 CYS HB2 . 18269 1 105 . 1 1 14 14 CYS HB3 H 1 3.208 0.03 . 2 . . . A 14 CYS HB3 . 18269 1 106 . 1 1 14 14 CYS CA C 13 61.445 0.40 . 1 . . . A 14 CYS CA . 18269 1 107 . 1 1 14 14 CYS CB C 13 41.219 0.40 . 1 . . . A 14 CYS CB . 18269 1 108 . 1 1 15 15 LYS HA H 1 4.059 0.03 . 1 . . . A 15 LYS HA . 18269 1 109 . 1 1 15 15 LYS HB2 H 1 1.962 0.03 . 2 . . . A 15 LYS HB2 . 18269 1 110 . 1 1 15 15 LYS HB3 H 1 1.914 0.03 . 2 . . . A 15 LYS HB3 . 18269 1 111 . 1 1 15 15 LYS HG2 H 1 1.517 0.03 . 2 . . . A 15 LYS HG2 . 18269 1 112 . 1 1 15 15 LYS HG3 H 1 1.662 0.03 . 2 . . . A 15 LYS HG3 . 18269 1 113 . 1 1 15 15 LYS HD2 H 1 1.750 0.03 . 2 . . . A 15 LYS HD2 . 18269 1 114 . 1 1 15 15 LYS HE3 H 1 3.053 0.03 . 2 . . . A 15 LYS HE3 . 18269 1 115 . 1 1 15 15 LYS CA C 13 57.571 0.40 . 1 . . . A 15 LYS CA . 18269 1 116 . 1 1 15 15 LYS CB C 13 32.250 0.40 . 1 . . . A 15 LYS CB . 18269 1 117 . 1 1 15 15 LYS CG C 13 25.104 0.40 . 1 . . . A 15 LYS CG . 18269 1 118 . 1 1 15 15 LYS CD C 13 28.898 0.40 . 1 . . . A 15 LYS CD . 18269 1 119 . 1 1 15 15 LYS CE C 13 42.131 0.40 . 1 . . . A 15 LYS CE . 18269 1 120 . 1 1 16 16 GLU H H 1 8.098 0.03 . 1 . . . A 16 GLU H . 18269 1 121 . 1 1 16 16 GLU HA H 1 4.331 0.03 . 1 . . . A 16 GLU HA . 18269 1 122 . 1 1 16 16 GLU HB2 H 1 2.570 0.03 . 2 . . . A 16 GLU HB2 . 18269 1 123 . 1 1 16 16 GLU HG2 H 1 2.560 0.03 . 2 . . . A 16 GLU HG2 . 18269 1 124 . 1 1 16 16 GLU HG3 H 1 2.700 0.03 . 2 . . . A 16 GLU HG3 . 18269 1 125 . 1 1 16 16 GLU CA C 13 59.174 0.40 . 1 . . . A 16 GLU CA . 18269 1 126 . 1 1 16 16 GLU CB C 13 29.406 0.40 . 1 . . . A 16 GLU CB . 18269 1 127 . 1 1 16 16 GLU CG C 13 35.900 0.40 . 1 . . . A 16 GLU CG . 18269 1 128 . 1 1 17 17 PHE H H 1 9.126 0.03 . 1 . . . A 17 PHE H . 18269 1 129 . 1 1 17 17 PHE HA H 1 4.315 0.03 . 1 . . . A 17 PHE HA . 18269 1 130 . 1 1 17 17 PHE HB2 H 1 3.074 0.03 . 2 . . . A 17 PHE HB2 . 18269 1 131 . 1 1 17 17 PHE HB3 H 1 3.245 0.03 . 2 . . . A 17 PHE HB3 . 18269 1 132 . 1 1 17 17 PHE HD1 H 1 7.059 0.03 . 3 . . . A 17 PHE HD1 . 18269 1 133 . 1 1 17 17 PHE HD2 H 1 7.059 0.03 . 3 . . . A 17 PHE HD2 . 18269 1 134 . 1 1 17 17 PHE HE1 H 1 7.052 0.03 . 3 . . . A 17 PHE HE1 . 18269 1 135 . 1 1 17 17 PHE HE2 H 1 7.052 0.03 . 3 . . . A 17 PHE HE2 . 18269 1 136 . 1 1 17 17 PHE HZ H 1 6.898 0.03 . 1 . . . A 17 PHE HZ . 18269 1 137 . 1 1 17 17 PHE CA C 13 62.514 0.40 . 1 . . . A 17 PHE CA . 18269 1 138 . 1 1 17 17 PHE CB C 13 40.513 0.40 . 1 . . . A 17 PHE CB . 18269 1 139 . 1 1 17 17 PHE CD2 C 13 131.415 0.40 . 3 . . . A 17 PHE CD2 . 18269 1 140 . 1 1 17 17 PHE CE2 C 13 135.823 0.40 . 3 . . . A 17 PHE CE2 . 18269 1 141 . 1 1 17 17 PHE CZ C 13 128.916 0.40 . 1 . . . A 17 PHE CZ . 18269 1 142 . 1 1 17 17 PHE N N 15 120.745 0.40 . 1 . . . A 17 PHE N . 18269 1 143 . 1 1 18 18 LEU H H 1 8.505 0.03 . 1 . . . A 18 LEU H . 18269 1 144 . 1 1 18 18 LEU HA H 1 4.143 0.03 . 1 . . . A 18 LEU HA . 18269 1 145 . 1 1 18 18 LEU HB2 H 1 1.255 0.03 . 2 . . . A 18 LEU HB2 . 18269 1 146 . 1 1 18 18 LEU HB3 H 1 2.188 0.03 . 2 . . . A 18 LEU HB3 . 18269 1 147 . 1 1 18 18 LEU HG H 1 2.304 0.03 . 1 . . . A 18 LEU HG . 18269 1 148 . 1 1 18 18 LEU HD11 H 1 1.031 0.03 . 2 . . . A 18 LEU HD11 . 18269 1 149 . 1 1 18 18 LEU HD12 H 1 1.031 0.03 . 2 . . . A 18 LEU HD12 . 18269 1 150 . 1 1 18 18 LEU HD13 H 1 1.031 0.03 . 2 . . . A 18 LEU HD13 . 18269 1 151 . 1 1 18 18 LEU HD21 H 1 0.906 0.03 . 2 . . . A 18 LEU HD21 . 18269 1 152 . 1 1 18 18 LEU HD22 H 1 0.906 0.03 . 2 . . . A 18 LEU HD22 . 18269 1 153 . 1 1 18 18 LEU HD23 H 1 0.906 0.03 . 2 . . . A 18 LEU HD23 . 18269 1 154 . 1 1 18 18 LEU CA C 13 57.877 0.40 . 1 . . . A 18 LEU CA . 18269 1 155 . 1 1 18 18 LEU CB C 13 40.952 0.40 . 1 . . . A 18 LEU CB . 18269 1 156 . 1 1 18 18 LEU CG C 13 27.353 0.40 . 1 . . . A 18 LEU CG . 18269 1 157 . 1 1 18 18 LEU CD1 C 13 26.816 0.40 . 1 . . . A 18 LEU CD1 . 18269 1 158 . 1 1 18 18 LEU CD2 C 13 21.788 0.40 . 1 . . . A 18 LEU CD2 . 18269 1 159 . 1 1 18 18 LEU N N 15 115.787 0.40 . 1 . . . A 18 LEU N . 18269 1 160 . 1 1 19 19 ASN H H 1 8.405 0.03 . 1 . . . A 19 ASN H . 18269 1 161 . 1 1 19 19 ASN HA H 1 4.876 0.03 . 1 . . . A 19 ASN HA . 18269 1 162 . 1 1 19 19 ASN HB2 H 1 2.882 0.03 . 2 . . . A 19 ASN HB2 . 18269 1 163 . 1 1 19 19 ASN HB3 H 1 3.120 0.03 . 2 . . . A 19 ASN HB3 . 18269 1 164 . 1 1 19 19 ASN HD21 H 1 7.045 0.03 . 2 . . . A 19 ASN HD21 . 18269 1 165 . 1 1 19 19 ASN HD22 H 1 7.691 0.03 . 2 . . . A 19 ASN HD22 . 18269 1 166 . 1 1 19 19 ASN CA C 13 56.474 0.40 . 1 . . . A 19 ASN CA . 18269 1 167 . 1 1 19 19 ASN CB C 13 38.328 0.40 . 1 . . . A 19 ASN CB . 18269 1 168 . 1 1 19 19 ASN N N 15 117.635 0.40 . 1 . . . A 19 ASN N . 18269 1 169 . 1 1 19 19 ASN ND2 N 15 112.543 0.40 . 1 . . . A 19 ASN ND2 . 18269 1 170 . 1 1 20 20 ARG H H 1 8.325 0.03 . 1 . . . A 20 ARG H . 18269 1 171 . 1 1 20 20 ARG HA H 1 4.117 0.03 . 1 . . . A 20 ARG HA . 18269 1 172 . 1 1 20 20 ARG HB2 H 1 2.137 0.03 . 2 . . . A 20 ARG HB2 . 18269 1 173 . 1 1 20 20 ARG HG2 H 1 1.788 0.03 . 2 . . . A 20 ARG HG2 . 18269 1 174 . 1 1 20 20 ARG HG3 H 1 2.007 0.03 . 2 . . . A 20 ARG HG3 . 18269 1 175 . 1 1 20 20 ARG HD2 H 1 3.448 0.03 . 2 . . . A 20 ARG HD2 . 18269 1 176 . 1 1 20 20 ARG HD3 H 1 3.494 0.03 . 2 . . . A 20 ARG HD3 . 18269 1 177 . 1 1 20 20 ARG HE H 1 7.544 0.03 . 1 . . . A 20 ARG HE . 18269 1 178 . 1 1 20 20 ARG CA C 13 60.289 0.40 . 1 . . . A 20 ARG CA . 18269 1 179 . 1 1 20 20 ARG CB C 13 30.455 0.40 . 1 . . . A 20 ARG CB . 18269 1 180 . 1 1 20 20 ARG CG C 13 29.257 0.40 . 1 . . . A 20 ARG CG . 18269 1 181 . 1 1 20 20 ARG CD C 13 43.595 0.40 . 1 . . . A 20 ARG CD . 18269 1 182 . 1 1 20 20 ARG N N 15 122.851 0.40 . 1 . . . A 20 ARG N . 18269 1 183 . 1 1 20 20 ARG NE N 15 83.435 0.40 . 1 . . . A 20 ARG NE . 18269 1 184 . 1 1 21 21 PHE H H 1 8.438 0.03 . 1 . . . A 21 PHE H . 18269 1 185 . 1 1 21 21 PHE HA H 1 3.280 0.03 . 1 . . . A 21 PHE HA . 18269 1 186 . 1 1 21 21 PHE HB2 H 1 2.256 0.03 . 2 . . . A 21 PHE HB2 . 18269 1 187 . 1 1 21 21 PHE HB3 H 1 2.632 0.03 . 2 . . . A 21 PHE HB3 . 18269 1 188 . 1 1 21 21 PHE HD1 H 1 6.174 0.03 . 3 . . . A 21 PHE HD1 . 18269 1 189 . 1 1 21 21 PHE HD2 H 1 6.174 0.03 . 3 . . . A 21 PHE HD2 . 18269 1 190 . 1 1 21 21 PHE HE1 H 1 6.879 0.03 . 3 . . . A 21 PHE HE1 . 18269 1 191 . 1 1 21 21 PHE HE2 H 1 6.879 0.03 . 3 . . . A 21 PHE HE2 . 18269 1 192 . 1 1 21 21 PHE HZ H 1 7.144 0.03 . 1 . . . A 21 PHE HZ . 18269 1 193 . 1 1 21 21 PHE CA C 13 59.011 0.40 . 1 . . . A 21 PHE CA . 18269 1 194 . 1 1 21 21 PHE CB C 13 38.011 0.40 . 1 . . . A 21 PHE CB . 18269 1 195 . 1 1 21 21 PHE CD2 C 13 130.816 0.40 . 3 . . . A 21 PHE CD2 . 18269 1 196 . 1 1 21 21 PHE CE2 C 13 131.364 0.40 . 3 . . . A 21 PHE CE2 . 18269 1 197 . 1 1 21 21 PHE CZ C 13 129.200 0.40 . 1 . . . A 21 PHE CZ . 18269 1 198 . 1 1 21 21 PHE N N 15 121.774 0.40 . 1 . . . A 21 PHE N . 18269 1 199 . 1 1 22 22 TYR H H 1 8.708 0.03 . 1 . . . A 22 TYR H . 18269 1 200 . 1 1 22 22 TYR HA H 1 3.789 0.03 . 1 . . . A 22 TYR HA . 18269 1 201 . 1 1 22 22 TYR HB2 H 1 3.095 0.03 . 2 . . . A 22 TYR HB2 . 18269 1 202 . 1 1 22 22 TYR HB3 H 1 3.283 0.03 . 2 . . . A 22 TYR HB3 . 18269 1 203 . 1 1 22 22 TYR HD1 H 1 7.153 0.03 . 3 . . . A 22 TYR HD1 . 18269 1 204 . 1 1 22 22 TYR HD2 H 1 7.153 0.03 . 3 . . . A 22 TYR HD2 . 18269 1 205 . 1 1 22 22 TYR HE1 H 1 6.894 0.03 . 3 . . . A 22 TYR HE1 . 18269 1 206 . 1 1 22 22 TYR HE2 H 1 6.894 0.03 . 3 . . . A 22 TYR HE2 . 18269 1 207 . 1 1 22 22 TYR CA C 13 61.652 0.40 . 1 . . . A 22 TYR CA . 18269 1 208 . 1 1 22 22 TYR CB C 13 38.274 0.40 . 1 . . . A 22 TYR CB . 18269 1 209 . 1 1 22 22 TYR CD1 C 13 132.191 0.40 . 3 . . . A 22 TYR CD1 . 18269 1 210 . 1 1 22 22 TYR CE1 C 13 118.122 0.40 . 3 . . . A 22 TYR CE1 . 18269 1 211 . 1 1 22 22 TYR N N 15 119.937 0.40 . 1 . . . A 22 TYR N . 18269 1 212 . 1 1 23 23 LYS H H 1 7.928 0.03 . 1 . . . A 23 LYS H . 18269 1 213 . 1 1 23 23 LYS HA H 1 3.859 0.03 . 1 . . . A 23 LYS HA . 18269 1 214 . 1 1 23 23 LYS HB2 H 1 1.931 0.03 . 2 . . . A 23 LYS HB2 . 18269 1 215 . 1 1 23 23 LYS HG2 H 1 1.482 0.03 . 2 . . . A 23 LYS HG2 . 18269 1 216 . 1 1 23 23 LYS HG3 H 1 1.584 0.03 . 2 . . . A 23 LYS HG3 . 18269 1 217 . 1 1 23 23 LYS HD2 H 1 1.669 0.03 . 2 . . . A 23 LYS HD2 . 18269 1 218 . 1 1 23 23 LYS HD3 H 1 1.768 0.03 . 2 . . . A 23 LYS HD3 . 18269 1 219 . 1 1 23 23 LYS HE2 H 1 3.005 0.03 . 2 . . . A 23 LYS HE2 . 18269 1 220 . 1 1 23 23 LYS CA C 13 59.143 0.40 . 1 . . . A 23 LYS CA . 18269 1 221 . 1 1 23 23 LYS CB C 13 32.217 0.40 . 1 . . . A 23 LYS CB . 18269 1 222 . 1 1 23 23 LYS CG C 13 25.142 0.40 . 1 . . . A 23 LYS CG . 18269 1 223 . 1 1 23 23 LYS CD C 13 29.020 0.40 . 1 . . . A 23 LYS CD . 18269 1 224 . 1 1 23 23 LYS CE C 13 42.093 0.40 . 1 . . . A 23 LYS CE . 18269 1 225 . 1 1 23 23 LYS N N 15 116.431 0.40 . 1 . . . A 23 LYS N . 18269 1 226 . 1 1 24 24 SER H H 1 7.665 0.03 . 1 . . . A 24 SER H . 18269 1 227 . 1 1 24 24 SER HA H 1 4.325 0.03 . 1 . . . A 24 SER HA . 18269 1 228 . 1 1 24 24 SER HB2 H 1 4.016 0.03 . 2 . . . A 24 SER HB2 . 18269 1 229 . 1 1 24 24 SER HB3 H 1 4.053 0.03 . 2 . . . A 24 SER HB3 . 18269 1 230 . 1 1 24 24 SER CA C 13 61.016 0.40 . 1 . . . A 24 SER CA . 18269 1 231 . 1 1 24 24 SER CB C 13 62.837 0.40 . 1 . . . A 24 SER CB . 18269 1 232 . 1 1 24 24 SER N N 15 113.888 0.40 . 1 . . . A 24 SER N . 18269 1 233 . 1 1 25 25 LEU H H 1 7.573 0.03 . 1 . . . A 25 LEU H . 18269 1 234 . 1 1 25 25 LEU HA H 1 3.679 0.03 . 1 . . . A 25 LEU HA . 18269 1 235 . 1 1 25 25 LEU HB2 H 1 0.889 0.03 . 2 . . . A 25 LEU HB2 . 18269 1 236 . 1 1 25 25 LEU HB3 H 1 1.858 0.03 . 2 . . . A 25 LEU HB3 . 18269 1 237 . 1 1 25 25 LEU HG H 1 0.837 0.03 . 1 . . . A 25 LEU HG . 18269 1 238 . 1 1 25 25 LEU HD11 H 1 0.214 0.03 . 2 . . . A 25 LEU HD11 . 18269 1 239 . 1 1 25 25 LEU HD12 H 1 0.214 0.03 . 2 . . . A 25 LEU HD12 . 18269 1 240 . 1 1 25 25 LEU HD13 H 1 0.214 0.03 . 2 . . . A 25 LEU HD13 . 18269 1 241 . 1 1 25 25 LEU HD21 H 1 -0.197 0.03 . 2 . . . A 25 LEU HD21 . 18269 1 242 . 1 1 25 25 LEU HD22 H 1 -0.197 0.03 . 2 . . . A 25 LEU HD22 . 18269 1 243 . 1 1 25 25 LEU HD23 H 1 -0.197 0.03 . 2 . . . A 25 LEU HD23 . 18269 1 244 . 1 1 25 25 LEU CA C 13 57.505 0.40 . 1 . . . A 25 LEU CA . 18269 1 245 . 1 1 25 25 LEU CB C 13 41.902 0.40 . 1 . . . A 25 LEU CB . 18269 1 246 . 1 1 25 25 LEU CG C 13 25.389 0.40 . 1 . . . A 25 LEU CG . 18269 1 247 . 1 1 25 25 LEU CD1 C 13 21.749 0.40 . 1 . . . A 25 LEU CD1 . 18269 1 248 . 1 1 25 25 LEU CD2 C 13 25.482 0.40 . 1 . . . A 25 LEU CD2 . 18269 1 249 . 1 1 25 25 LEU N N 15 119.663 0.40 . 1 . . . A 25 LEU N . 18269 1 250 . 1 1 26 26 ILE H H 1 8.094 0.03 . 1 . . . A 26 ILE H . 18269 1 251 . 1 1 26 26 ILE HA H 1 3.856 0.03 . 1 . . . A 26 ILE HA . 18269 1 252 . 1 1 26 26 ILE HB H 1 1.964 0.03 . 1 . . . A 26 ILE HB . 18269 1 253 . 1 1 26 26 ILE HG12 H 1 1.202 0.03 . 2 . . . A 26 ILE HG12 . 18269 1 254 . 1 1 26 26 ILE HG13 H 1 1.581 0.03 . 2 . . . A 26 ILE HG13 . 18269 1 255 . 1 1 26 26 ILE HG21 H 1 0.923 0.03 . 1 . . . A 26 ILE HG21 . 18269 1 256 . 1 1 26 26 ILE HG22 H 1 0.923 0.03 . 1 . . . A 26 ILE HG22 . 18269 1 257 . 1 1 26 26 ILE HG23 H 1 0.923 0.03 . 1 . . . A 26 ILE HG23 . 18269 1 258 . 1 1 26 26 ILE HD11 H 1 0.722 0.03 . 1 . . . A 26 ILE HD11 . 18269 1 259 . 1 1 26 26 ILE HD12 H 1 0.722 0.03 . 1 . . . A 26 ILE HD12 . 18269 1 260 . 1 1 26 26 ILE HD13 H 1 0.722 0.03 . 1 . . . A 26 ILE HD13 . 18269 1 261 . 1 1 26 26 ILE CA C 13 63.549 0.40 . 1 . . . A 26 ILE CA . 18269 1 262 . 1 1 26 26 ILE CB C 13 37.305 0.40 . 1 . . . A 26 ILE CB . 18269 1 263 . 1 1 26 26 ILE CG1 C 13 28.202 0.40 . 1 . . . A 26 ILE CG1 . 18269 1 264 . 1 1 26 26 ILE CG2 C 13 16.944 0.40 . 1 . . . A 26 ILE CG2 . 18269 1 265 . 1 1 26 26 ILE CD1 C 13 11.650 0.40 . 1 . . . A 26 ILE CD1 . 18269 1 266 . 1 1 26 26 ILE N N 15 119.781 0.40 . 1 . . . A 26 ILE N . 18269 1 267 . 1 1 27 27 ASP H H 1 9.091 0.03 . 1 . . . A 27 ASP H . 18269 1 268 . 1 1 27 27 ASP HA H 1 4.376 0.03 . 1 . . . A 27 ASP HA . 18269 1 269 . 1 1 27 27 ASP HB2 H 1 2.663 0.03 . 2 . . . A 27 ASP HB2 . 18269 1 270 . 1 1 27 27 ASP HB3 H 1 2.858 0.03 . 2 . . . A 27 ASP HB3 . 18269 1 271 . 1 1 27 27 ASP CA C 13 57.020 0.40 . 1 . . . A 27 ASP CA . 18269 1 272 . 1 1 27 27 ASP CB C 13 40.080 0.40 . 1 . . . A 27 ASP CB . 18269 1 273 . 1 1 27 27 ASP N N 15 122.421 0.40 . 1 . . . A 27 ASP N . 18269 1 274 . 1 1 28 28 ARG H H 1 7.587 0.03 . 1 . . . A 28 ARG H . 18269 1 275 . 1 1 28 28 ARG HA H 1 4.305 0.03 . 1 . . . A 28 ARG HA . 18269 1 276 . 1 1 28 28 ARG HB2 H 1 1.769 0.03 . 2 . . . A 28 ARG HB2 . 18269 1 277 . 1 1 28 28 ARG HB3 H 1 2.010 0.03 . 2 . . . A 28 ARG HB3 . 18269 1 278 . 1 1 28 28 ARG HG2 H 1 1.955 0.03 . 2 . . . A 28 ARG HG2 . 18269 1 279 . 1 1 28 28 ARG HD2 H 1 3.238 0.03 . 2 . . . A 28 ARG HD2 . 18269 1 280 . 1 1 28 28 ARG HD3 H 1 3.287 0.03 . 2 . . . A 28 ARG HD3 . 18269 1 281 . 1 1 28 28 ARG HE H 1 6.621 0.03 . 1 . . . A 28 ARG HE . 18269 1 282 . 1 1 28 28 ARG CA C 13 56.498 0.40 . 1 . . . A 28 ARG CA . 18269 1 283 . 1 1 28 28 ARG CB C 13 31.613 0.40 . 1 . . . A 28 ARG CB . 18269 1 284 . 1 1 28 28 ARG CG C 13 28.481 0.40 . 1 . . . A 28 ARG CG . 18269 1 285 . 1 1 28 28 ARG CD C 13 43.719 0.40 . 1 . . . A 28 ARG CD . 18269 1 286 . 1 1 28 28 ARG N N 15 115.349 0.40 . 1 . . . A 28 ARG N . 18269 1 287 . 1 1 28 28 ARG NE N 15 84.884 0.40 . 1 . . . A 28 ARG NE . 18269 1 288 . 1 1 29 29 GLY H H 1 7.909 0.03 . 1 . . . A 29 GLY H . 18269 1 289 . 1 1 29 29 GLY HA2 H 1 3.916 0.03 . 2 . . . A 29 GLY HA2 . 18269 1 290 . 1 1 29 29 GLY HA3 H 1 3.990 0.03 . 2 . . . A 29 GLY HA3 . 18269 1 291 . 1 1 29 29 GLY CA C 13 46.661 0.40 . 1 . . . A 29 GLY CA . 18269 1 292 . 1 1 29 29 GLY N N 15 109.999 0.40 . 1 . . . A 29 GLY N . 18269 1 293 . 1 1 30 30 VAL H H 1 7.701 0.03 . 1 . . . A 30 VAL H . 18269 1 294 . 1 1 30 30 VAL HA H 1 3.759 0.03 . 1 . . . A 30 VAL HA . 18269 1 295 . 1 1 30 30 VAL HB H 1 1.739 0.03 . 1 . . . A 30 VAL HB . 18269 1 296 . 1 1 30 30 VAL HG11 H 1 0.816 0.03 . 2 . . . A 30 VAL HG11 . 18269 1 297 . 1 1 30 30 VAL HG12 H 1 0.816 0.03 . 2 . . . A 30 VAL HG12 . 18269 1 298 . 1 1 30 30 VAL HG13 H 1 0.816 0.03 . 2 . . . A 30 VAL HG13 . 18269 1 299 . 1 1 30 30 VAL HG21 H 1 0.787 0.03 . 2 . . . A 30 VAL HG21 . 18269 1 300 . 1 1 30 30 VAL HG22 H 1 0.787 0.03 . 2 . . . A 30 VAL HG22 . 18269 1 301 . 1 1 30 30 VAL HG23 H 1 0.787 0.03 . 2 . . . A 30 VAL HG23 . 18269 1 302 . 1 1 30 30 VAL CA C 13 62.470 0.40 . 1 . . . A 30 VAL CA . 18269 1 303 . 1 1 30 30 VAL CB C 13 32.326 0.40 . 1 . . . A 30 VAL CB . 18269 1 304 . 1 1 30 30 VAL CG1 C 13 21.760 0.40 . 1 . . . A 30 VAL CG1 . 18269 1 305 . 1 1 30 30 VAL CG2 C 13 21.930 0.40 . 1 . . . A 30 VAL CG2 . 18269 1 306 . 1 1 30 30 VAL N N 15 118.740 0.40 . 1 . . . A 30 VAL N . 18269 1 307 . 1 1 31 31 ASN H H 1 8.498 0.03 . 1 . . . A 31 ASN H . 18269 1 308 . 1 1 31 31 ASN HA H 1 4.713 0.03 . 1 . . . A 31 ASN HA . 18269 1 309 . 1 1 31 31 ASN HB2 H 1 2.852 0.03 . 2 . . . A 31 ASN HB2 . 18269 1 310 . 1 1 31 31 ASN HB3 H 1 2.879 0.03 . 2 . . . A 31 ASN HB3 . 18269 1 311 . 1 1 31 31 ASN HD21 H 1 7.068 0.03 . 2 . . . A 31 ASN HD21 . 18269 1 312 . 1 1 31 31 ASN HD22 H 1 7.700 0.03 . 2 . . . A 31 ASN HD22 . 18269 1 313 . 1 1 31 31 ASN CA C 13 53.488 0.40 . 1 . . . A 31 ASN CA . 18269 1 314 . 1 1 31 31 ASN CB C 13 39.211 0.40 . 1 . . . A 31 ASN CB . 18269 1 315 . 1 1 31 31 ASN N N 15 123.250 0.40 . 1 . . . A 31 ASN N . 18269 1 316 . 1 1 31 31 ASN ND2 N 15 113.240 0.40 . 1 . . . A 31 ASN ND2 . 18269 1 317 . 1 1 32 32 PHE H H 1 8.783 0.03 . 1 . . . A 32 PHE H . 18269 1 318 . 1 1 32 32 PHE HA H 1 4.138 0.03 . 1 . . . A 32 PHE HA . 18269 1 319 . 1 1 32 32 PHE HB2 H 1 3.147 0.03 . 2 . . . A 32 PHE HB2 . 18269 1 320 . 1 1 32 32 PHE HB3 H 1 3.280 0.03 . 2 . . . A 32 PHE HB3 . 18269 1 321 . 1 1 32 32 PHE HD1 H 1 7.332 0.03 . 3 . . . A 32 PHE HD1 . 18269 1 322 . 1 1 32 32 PHE HD2 H 1 7.332 0.03 . 3 . . . A 32 PHE HD2 . 18269 1 323 . 1 1 32 32 PHE HE1 H 1 7.014 0.03 . 3 . . . A 32 PHE HE1 . 18269 1 324 . 1 1 32 32 PHE HE2 H 1 7.014 0.03 . 3 . . . A 32 PHE HE2 . 18269 1 325 . 1 1 32 32 PHE CA C 13 58.647 0.40 . 1 . . . A 32 PHE CA . 18269 1 326 . 1 1 32 32 PHE CB C 13 36.779 0.40 . 1 . . . A 32 PHE CB . 18269 1 327 . 1 1 32 32 PHE CD1 C 13 131.085 0.40 . 3 . . . A 32 PHE CD1 . 18269 1 328 . 1 1 32 32 PHE CE1 C 13 131.093 0.40 . 3 . . . A 32 PHE CE1 . 18269 1 329 . 1 1 32 32 PHE N N 15 126.076 0.40 . 1 . . . A 32 PHE N . 18269 1 330 . 1 1 33 33 SER H H 1 7.699 0.03 . 1 . . . A 33 SER H . 18269 1 331 . 1 1 33 33 SER HA H 1 4.736 0.03 . 1 . . . A 33 SER HA . 18269 1 332 . 1 1 33 33 SER HB2 H 1 3.976 0.03 . 2 . . . A 33 SER HB2 . 18269 1 333 . 1 1 33 33 SER HB3 H 1 4.128 0.03 . 2 . . . A 33 SER HB3 . 18269 1 334 . 1 1 33 33 SER CA C 13 56.745 0.40 . 1 . . . A 33 SER CA . 18269 1 335 . 1 1 33 33 SER CB C 13 64.899 0.40 . 1 . . . A 33 SER CB . 18269 1 336 . 1 1 33 33 SER N N 15 115.958 0.40 . 1 . . . A 33 SER N . 18269 1 337 . 1 1 34 34 LEU H H 1 8.935 0.03 . 1 . . . A 34 LEU H . 18269 1 338 . 1 1 34 34 LEU HA H 1 3.853 0.03 . 1 . . . A 34 LEU HA . 18269 1 339 . 1 1 34 34 LEU HB2 H 1 1.684 0.03 . 2 . . . A 34 LEU HB2 . 18269 1 340 . 1 1 34 34 LEU HB3 H 1 1.786 0.03 . 2 . . . A 34 LEU HB3 . 18269 1 341 . 1 1 34 34 LEU HG H 1 1.796 0.03 . 1 . . . A 34 LEU HG . 18269 1 342 . 1 1 34 34 LEU HD11 H 1 0.994 0.03 . 2 . . . A 34 LEU HD11 . 18269 1 343 . 1 1 34 34 LEU HD12 H 1 0.994 0.03 . 2 . . . A 34 LEU HD12 . 18269 1 344 . 1 1 34 34 LEU HD13 H 1 0.994 0.03 . 2 . . . A 34 LEU HD13 . 18269 1 345 . 1 1 34 34 LEU HD21 H 1 0.932 0.03 . 2 . . . A 34 LEU HD21 . 18269 1 346 . 1 1 34 34 LEU HD22 H 1 0.932 0.03 . 2 . . . A 34 LEU HD22 . 18269 1 347 . 1 1 34 34 LEU HD23 H 1 0.932 0.03 . 2 . . . A 34 LEU HD23 . 18269 1 348 . 1 1 34 34 LEU CA C 13 59.671 0.40 . 1 . . . A 34 LEU CA . 18269 1 349 . 1 1 34 34 LEU CB C 13 41.546 0.40 . 1 . . . A 34 LEU CB . 18269 1 350 . 1 1 34 34 LEU CG C 13 27.286 0.40 . 1 . . . A 34 LEU CG . 18269 1 351 . 1 1 34 34 LEU CD1 C 13 24.862 0.40 . 1 . . . A 34 LEU CD1 . 18269 1 352 . 1 1 34 34 LEU CD2 C 13 23.839 0.40 . 1 . . . A 34 LEU CD2 . 18269 1 353 . 1 1 34 34 LEU N N 15 124.359 0.40 . 1 . . . A 34 LEU N . 18269 1 354 . 1 1 35 35 ASP H H 1 8.575 0.03 . 1 . . . A 35 ASP H . 18269 1 355 . 1 1 35 35 ASP HA H 1 4.378 0.03 . 1 . . . A 35 ASP HA . 18269 1 356 . 1 1 35 35 ASP HB2 H 1 2.664 0.03 . 2 . . . A 35 ASP HB2 . 18269 1 357 . 1 1 35 35 ASP CA C 13 56.858 0.40 . 1 . . . A 35 ASP CA . 18269 1 358 . 1 1 35 35 ASP CB C 13 40.160 0.40 . 1 . . . A 35 ASP CB . 18269 1 359 . 1 1 35 35 ASP N N 15 115.345 0.40 . 1 . . . A 35 ASP N . 18269 1 360 . 1 1 36 36 THR H H 1 7.593 0.03 . 1 . . . A 36 THR H . 18269 1 361 . 1 1 36 36 THR HA H 1 4.015 0.03 . 1 . . . A 36 THR HA . 18269 1 362 . 1 1 36 36 THR HB H 1 4.284 0.03 . 1 . . . A 36 THR HB . 18269 1 363 . 1 1 36 36 THR HG21 H 1 1.286 0.03 . 1 . . . A 36 THR HG21 . 18269 1 364 . 1 1 36 36 THR HG22 H 1 1.286 0.03 . 1 . . . A 36 THR HG22 . 18269 1 365 . 1 1 36 36 THR HG23 H 1 1.286 0.03 . 1 . . . A 36 THR HG23 . 18269 1 366 . 1 1 36 36 THR CA C 13 66.069 0.40 . 1 . . . A 36 THR CA . 18269 1 367 . 1 1 36 36 THR CB C 13 68.780 0.40 . 1 . . . A 36 THR CB . 18269 1 368 . 1 1 36 36 THR CG2 C 13 23.153 0.40 . 1 . . . A 36 THR CG2 . 18269 1 369 . 1 1 36 36 THR N N 15 116.789 0.40 . 1 . . . A 36 THR N . 18269 1 370 . 1 1 37 37 ILE H H 1 8.436 0.03 . 1 . . . A 37 ILE H . 18269 1 371 . 1 1 37 37 ILE HA H 1 3.369 0.03 . 1 . . . A 37 ILE HA . 18269 1 372 . 1 1 37 37 ILE HB H 1 1.770 0.03 . 1 . . . A 37 ILE HB . 18269 1 373 . 1 1 37 37 ILE HG12 H 1 0.569 0.03 . 2 . . . A 37 ILE HG12 . 18269 1 374 . 1 1 37 37 ILE HG13 H 1 1.580 0.03 . 2 . . . A 37 ILE HG13 . 18269 1 375 . 1 1 37 37 ILE HG21 H 1 0.926 0.03 . 1 . . . A 37 ILE HG21 . 18269 1 376 . 1 1 37 37 ILE HG22 H 1 0.926 0.03 . 1 . . . A 37 ILE HG22 . 18269 1 377 . 1 1 37 37 ILE HG23 H 1 0.926 0.03 . 1 . . . A 37 ILE HG23 . 18269 1 378 . 1 1 37 37 ILE HD11 H 1 0.368 0.03 . 1 . . . A 37 ILE HD11 . 18269 1 379 . 1 1 37 37 ILE HD12 H 1 0.368 0.03 . 1 . . . A 37 ILE HD12 . 18269 1 380 . 1 1 37 37 ILE HD13 H 1 0.368 0.03 . 1 . . . A 37 ILE HD13 . 18269 1 381 . 1 1 37 37 ILE CA C 13 65.800 0.40 . 1 . . . A 37 ILE CA . 18269 1 382 . 1 1 37 37 ILE CB C 13 37.091 0.40 . 1 . . . A 37 ILE CB . 18269 1 383 . 1 1 37 37 ILE CG1 C 13 28.729 0.40 . 1 . . . A 37 ILE CG1 . 18269 1 384 . 1 1 37 37 ILE CG2 C 13 18.614 0.40 . 1 . . . A 37 ILE CG2 . 18269 1 385 . 1 1 37 37 ILE CD1 C 13 13.012 0.40 . 1 . . . A 37 ILE CD1 . 18269 1 386 . 1 1 37 37 ILE N N 15 120.685 0.40 . 1 . . . A 37 ILE N . 18269 1 387 . 1 1 38 38 GLU H H 1 8.122 0.03 . 1 . . . A 38 GLU H . 18269 1 388 . 1 1 38 38 GLU HA H 1 3.678 0.03 . 1 . . . A 38 GLU HA . 18269 1 389 . 1 1 38 38 GLU HB2 H 1 2.167 0.03 . 2 . . . A 38 GLU HB2 . 18269 1 390 . 1 1 38 38 GLU HB3 H 1 2.277 0.03 . 2 . . . A 38 GLU HB3 . 18269 1 391 . 1 1 38 38 GLU HG2 H 1 2.164 0.03 . 2 . . . A 38 GLU HG2 . 18269 1 392 . 1 1 38 38 GLU CA C 13 61.060 0.40 . 1 . . . A 38 GLU CA . 18269 1 393 . 1 1 38 38 GLU CB C 13 29.871 0.40 . 1 . . . A 38 GLU CB . 18269 1 394 . 1 1 38 38 GLU CG C 13 37.155 0.40 . 1 . . . A 38 GLU CG . 18269 1 395 . 1 1 38 38 GLU N N 15 118.792 0.40 . 1 . . . A 38 GLU N . 18269 1 396 . 1 1 39 39 LYS H H 1 7.586 0.03 . 1 . . . A 39 LYS H . 18269 1 397 . 1 1 39 39 LYS HA H 1 3.961 0.03 . 1 . . . A 39 LYS HA . 18269 1 398 . 1 1 39 39 LYS HB2 H 1 1.975 0.03 . 2 . . . A 39 LYS HB2 . 18269 1 399 . 1 1 39 39 LYS HB3 H 1 2.012 0.03 . 2 . . . A 39 LYS HB3 . 18269 1 400 . 1 1 39 39 LYS HG2 H 1 1.522 0.03 . 2 . . . A 39 LYS HG2 . 18269 1 401 . 1 1 39 39 LYS HD2 H 1 1.670 0.03 . 2 . . . A 39 LYS HD2 . 18269 1 402 . 1 1 39 39 LYS HE2 H 1 3.004 0.03 . 2 . . . A 39 LYS HE2 . 18269 1 403 . 1 1 39 39 LYS CA C 13 59.746 0.40 . 1 . . . A 39 LYS CA . 18269 1 404 . 1 1 39 39 LYS CB C 13 32.310 0.40 . 1 . . . A 39 LYS CB . 18269 1 405 . 1 1 39 39 LYS CG C 13 25.134 0.40 . 1 . . . A 39 LYS CG . 18269 1 406 . 1 1 39 39 LYS CE C 13 42.064 0.40 . 1 . . . A 39 LYS CE . 18269 1 407 . 1 1 39 39 LYS N N 15 116.986 0.40 . 1 . . . A 39 LYS N . 18269 1 408 . 1 1 40 40 GLU H H 1 8.690 0.03 . 1 . . . A 40 GLU H . 18269 1 409 . 1 1 40 40 GLU HA H 1 4.205 0.03 . 1 . . . A 40 GLU HA . 18269 1 410 . 1 1 40 40 GLU HB2 H 1 2.160 0.03 . 2 . . . A 40 GLU HB2 . 18269 1 411 . 1 1 40 40 GLU HB3 H 1 2.379 0.03 . 2 . . . A 40 GLU HB3 . 18269 1 412 . 1 1 40 40 GLU HG2 H 1 2.080 0.03 . 2 . . . A 40 GLU HG2 . 18269 1 413 . 1 1 40 40 GLU HG3 H 1 2.614 0.03 . 2 . . . A 40 GLU HG3 . 18269 1 414 . 1 1 40 40 GLU CA C 13 58.359 0.40 . 1 . . . A 40 GLU CA . 18269 1 415 . 1 1 40 40 GLU CB C 13 28.579 0.40 . 1 . . . A 40 GLU CB . 18269 1 416 . 1 1 40 40 GLU CG C 13 36.093 0.40 . 1 . . . A 40 GLU CG . 18269 1 417 . 1 1 40 40 GLU N N 15 117.892 0.40 . 1 . . . A 40 GLU N . 18269 1 418 . 1 1 41 41 LEU H H 1 8.978 0.03 . 1 . . . A 41 LEU H . 18269 1 419 . 1 1 41 41 LEU HA H 1 3.547 0.03 . 1 . . . A 41 LEU HA . 18269 1 420 . 1 1 41 41 LEU HB2 H 1 1.281 0.03 . 2 . . . A 41 LEU HB2 . 18269 1 421 . 1 1 41 41 LEU HB3 H 1 1.847 0.03 . 2 . . . A 41 LEU HB3 . 18269 1 422 . 1 1 41 41 LEU HG H 1 1.262 0.03 . 1 . . . A 41 LEU HG . 18269 1 423 . 1 1 41 41 LEU HD11 H 1 0.664 0.03 . 2 . . . A 41 LEU HD11 . 18269 1 424 . 1 1 41 41 LEU HD12 H 1 0.664 0.03 . 2 . . . A 41 LEU HD12 . 18269 1 425 . 1 1 41 41 LEU HD13 H 1 0.664 0.03 . 2 . . . A 41 LEU HD13 . 18269 1 426 . 1 1 41 41 LEU HD21 H 1 0.253 0.03 . 2 . . . A 41 LEU HD21 . 18269 1 427 . 1 1 41 41 LEU HD22 H 1 0.253 0.03 . 2 . . . A 41 LEU HD22 . 18269 1 428 . 1 1 41 41 LEU HD23 H 1 0.253 0.03 . 2 . . . A 41 LEU HD23 . 18269 1 429 . 1 1 41 41 LEU CA C 13 57.828 0.40 . 1 . . . A 41 LEU CA . 18269 1 430 . 1 1 41 41 LEU CB C 13 40.338 0.40 . 1 . . . A 41 LEU CB . 18269 1 431 . 1 1 41 41 LEU CG C 13 26.680 0.40 . 1 . . . A 41 LEU CG . 18269 1 432 . 1 1 41 41 LEU CD1 C 13 26.586 0.40 . 1 . . . A 41 LEU CD1 . 18269 1 433 . 1 1 41 41 LEU CD2 C 13 21.145 0.40 . 1 . . . A 41 LEU CD2 . 18269 1 434 . 1 1 41 41 LEU N N 15 125.830 0.40 . 1 . . . A 41 LEU N . 18269 1 435 . 1 1 42 42 ILE H H 1 7.884 0.03 . 1 . . . A 42 ILE H . 18269 1 436 . 1 1 42 42 ILE HA H 1 3.584 0.03 . 1 . . . A 42 ILE HA . 18269 1 437 . 1 1 42 42 ILE HB H 1 1.916 0.03 . 1 . . . A 42 ILE HB . 18269 1 438 . 1 1 42 42 ILE HG12 H 1 1.069 0.03 . 2 . . . A 42 ILE HG12 . 18269 1 439 . 1 1 42 42 ILE HG13 H 1 1.760 0.03 . 2 . . . A 42 ILE HG13 . 18269 1 440 . 1 1 42 42 ILE HG21 H 1 0.907 0.03 . 1 . . . A 42 ILE HG21 . 18269 1 441 . 1 1 42 42 ILE HG22 H 1 0.907 0.03 . 1 . . . A 42 ILE HG22 . 18269 1 442 . 1 1 42 42 ILE HG23 H 1 0.907 0.03 . 1 . . . A 42 ILE HG23 . 18269 1 443 . 1 1 42 42 ILE HD11 H 1 0.863 0.03 . 1 . . . A 42 ILE HD11 . 18269 1 444 . 1 1 42 42 ILE HD12 H 1 0.863 0.03 . 1 . . . A 42 ILE HD12 . 18269 1 445 . 1 1 42 42 ILE HD13 H 1 0.863 0.03 . 1 . . . A 42 ILE HD13 . 18269 1 446 . 1 1 42 42 ILE CA C 13 65.832 0.40 . 1 . . . A 42 ILE CA . 18269 1 447 . 1 1 42 42 ILE CB C 13 37.790 0.40 . 1 . . . A 42 ILE CB . 18269 1 448 . 1 1 42 42 ILE CG1 C 13 29.333 0.40 . 1 . . . A 42 ILE CG1 . 18269 1 449 . 1 1 42 42 ILE CG2 C 13 16.998 0.40 . 1 . . . A 42 ILE CG2 . 18269 1 450 . 1 1 42 42 ILE CD1 C 13 13.389 0.40 . 1 . . . A 42 ILE CD1 . 18269 1 451 . 1 1 42 42 ILE N N 15 119.900 0.40 . 1 . . . A 42 ILE N . 18269 1 452 . 1 1 43 43 SER H H 1 7.791 0.03 . 1 . . . A 43 SER H . 18269 1 453 . 1 1 43 43 SER HA H 1 4.277 0.03 . 1 . . . A 43 SER HA . 18269 1 454 . 1 1 43 43 SER HB2 H 1 4.051 0.03 . 2 . . . A 43 SER HB2 . 18269 1 455 . 1 1 43 43 SER HB3 H 1 4.077 0.03 . 2 . . . A 43 SER HB3 . 18269 1 456 . 1 1 43 43 SER CA C 13 61.598 0.40 . 1 . . . A 43 SER CA . 18269 1 457 . 1 1 43 43 SER CB C 13 62.767 0.40 . 1 . . . A 43 SER CB . 18269 1 458 . 1 1 43 43 SER N N 15 114.071 0.40 . 1 . . . A 43 SER N . 18269 1 459 . 1 1 44 44 PHE H H 1 9.060 0.03 . 1 . . . A 44 PHE H . 18269 1 460 . 1 1 44 44 PHE HA H 1 4.329 0.03 . 1 . . . A 44 PHE HA . 18269 1 461 . 1 1 44 44 PHE HB2 H 1 2.832 0.03 . 2 . . . A 44 PHE HB2 . 18269 1 462 . 1 1 44 44 PHE HB3 H 1 3.543 0.03 . 2 . . . A 44 PHE HB3 . 18269 1 463 . 1 1 44 44 PHE HD1 H 1 7.110 0.03 . 3 . . . A 44 PHE HD1 . 18269 1 464 . 1 1 44 44 PHE HD2 H 1 7.110 0.03 . 3 . . . A 44 PHE HD2 . 18269 1 465 . 1 1 44 44 PHE HE1 H 1 6.841 0.03 . 3 . . . A 44 PHE HE1 . 18269 1 466 . 1 1 44 44 PHE HE2 H 1 6.841 0.03 . 3 . . . A 44 PHE HE2 . 18269 1 467 . 1 1 44 44 PHE HZ H 1 6.946 0.03 . 1 . . . A 44 PHE HZ . 18269 1 468 . 1 1 44 44 PHE CA C 13 61.257 0.40 . 1 . . . A 44 PHE CA . 18269 1 469 . 1 1 44 44 PHE CB C 13 40.631 0.40 . 1 . . . A 44 PHE CB . 18269 1 470 . 1 1 44 44 PHE CD1 C 13 132.338 0.40 . 3 . . . A 44 PHE CD1 . 18269 1 471 . 1 1 44 44 PHE CE1 C 13 130.923 0.40 . 3 . . . A 44 PHE CE1 . 18269 1 472 . 1 1 44 44 PHE CZ C 13 128.853 0.40 . 1 . . . A 44 PHE CZ . 18269 1 473 . 1 1 44 44 PHE N N 15 125.036 0.40 . 1 . . . A 44 PHE N . 18269 1 474 . 1 1 45 45 CYS H H 1 8.254 0.03 . 1 . . . A 45 CYS H . 18269 1 475 . 1 1 45 45 CYS HA H 1 4.606 0.03 . 1 . . . A 45 CYS HA . 18269 1 476 . 1 1 45 45 CYS HB2 H 1 2.808 0.03 . 2 . . . A 45 CYS HB2 . 18269 1 477 . 1 1 45 45 CYS HB3 H 1 3.337 0.03 . 2 . . . A 45 CYS HB3 . 18269 1 478 . 1 1 45 45 CYS CA C 13 59.236 0.40 . 1 . . . A 45 CYS CA . 18269 1 479 . 1 1 45 45 CYS CB C 13 42.623 0.40 . 1 . . . A 45 CYS CB . 18269 1 480 . 1 1 45 45 CYS N N 15 112.824 0.40 . 1 . . . A 45 CYS N . 18269 1 481 . 1 1 46 46 LEU H H 1 7.776 0.03 . 1 . . . A 46 LEU H . 18269 1 482 . 1 1 46 46 LEU HA H 1 4.175 0.03 . 1 . . . A 46 LEU HA . 18269 1 483 . 1 1 46 46 LEU HB2 H 1 1.653 0.03 . 2 . . . A 46 LEU HB2 . 18269 1 484 . 1 1 46 46 LEU HB3 H 1 1.963 0.03 . 2 . . . A 46 LEU HB3 . 18269 1 485 . 1 1 46 46 LEU HG H 1 1.969 0.03 . 1 . . . A 46 LEU HG . 18269 1 486 . 1 1 46 46 LEU HD11 H 1 1.010 0.03 . 2 . . . A 46 LEU HD11 . 18269 1 487 . 1 1 46 46 LEU HD12 H 1 1.010 0.03 . 2 . . . A 46 LEU HD12 . 18269 1 488 . 1 1 46 46 LEU HD13 H 1 1.010 0.03 . 2 . . . A 46 LEU HD13 . 18269 1 489 . 1 1 46 46 LEU HD21 H 1 0.954 0.03 . 2 . . . A 46 LEU HD21 . 18269 1 490 . 1 1 46 46 LEU HD22 H 1 0.954 0.03 . 2 . . . A 46 LEU HD22 . 18269 1 491 . 1 1 46 46 LEU HD23 H 1 0.954 0.03 . 2 . . . A 46 LEU HD23 . 18269 1 492 . 1 1 46 46 LEU CA C 13 58.151 0.40 . 1 . . . A 46 LEU CA . 18269 1 493 . 1 1 46 46 LEU CB C 13 42.252 0.40 . 1 . . . A 46 LEU CB . 18269 1 494 . 1 1 46 46 LEU CG C 13 26.370 0.40 . 1 . . . A 46 LEU CG . 18269 1 495 . 1 1 46 46 LEU CD1 C 13 24.916 0.40 . 1 . . . A 46 LEU CD1 . 18269 1 496 . 1 1 46 46 LEU CD2 C 13 23.731 0.40 . 1 . . . A 46 LEU CD2 . 18269 1 497 . 1 1 46 46 LEU N N 15 123.875 0.40 . 1 . . . A 46 LEU N . 18269 1 498 . 1 1 47 47 ASP H H 1 7.852 0.03 . 1 . . . A 47 ASP H . 18269 1 499 . 1 1 47 47 ASP HA H 1 4.910 0.03 . 1 . . . A 47 ASP HA . 18269 1 500 . 1 1 47 47 ASP HB2 H 1 2.555 0.03 . 2 . . . A 47 ASP HB2 . 18269 1 501 . 1 1 47 47 ASP HB3 H 1 2.820 0.03 . 2 . . . A 47 ASP HB3 . 18269 1 502 . 1 1 47 47 ASP CA C 13 53.585 0.40 . 1 . . . A 47 ASP CA . 18269 1 503 . 1 1 47 47 ASP CB C 13 40.375 0.40 . 1 . . . A 47 ASP CB . 18269 1 504 . 1 1 47 47 ASP N N 15 116.880 0.40 . 1 . . . A 47 ASP N . 18269 1 505 . 1 1 48 48 THR H H 1 7.139 0.03 . 1 . . . A 48 THR H . 18269 1 506 . 1 1 48 48 THR HA H 1 4.461 0.03 . 1 . . . A 48 THR HA . 18269 1 507 . 1 1 48 48 THR HB H 1 4.010 0.03 . 1 . . . A 48 THR HB . 18269 1 508 . 1 1 48 48 THR HG21 H 1 1.515 0.03 . 1 . . . A 48 THR HG21 . 18269 1 509 . 1 1 48 48 THR HG22 H 1 1.515 0.03 . 1 . . . A 48 THR HG22 . 18269 1 510 . 1 1 48 48 THR HG23 H 1 1.515 0.03 . 1 . . . A 48 THR HG23 . 18269 1 511 . 1 1 48 48 THR CA C 13 60.844 0.40 . 1 . . . A 48 THR CA . 18269 1 512 . 1 1 48 48 THR CB C 13 73.395 0.40 . 1 . . . A 48 THR CB . 18269 1 513 . 1 1 48 48 THR CG2 C 13 23.825 0.40 . 1 . . . A 48 THR CG2 . 18269 1 514 . 1 1 48 48 THR N N 15 108.053 0.40 . 1 . . . A 48 THR N . 18269 1 515 . 1 1 49 49 LYS H H 1 8.755 0.03 . 1 . . . A 49 LYS H . 18269 1 516 . 1 1 49 49 LYS HA H 1 4.718 0.03 . 1 . . . A 49 LYS HA . 18269 1 517 . 1 1 49 49 LYS HB2 H 1 1.752 0.03 . 2 . . . A 49 LYS HB2 . 18269 1 518 . 1 1 49 49 LYS HB3 H 1 1.937 0.03 . 2 . . . A 49 LYS HB3 . 18269 1 519 . 1 1 49 49 LYS HG2 H 1 1.429 0.03 . 2 . . . A 49 LYS HG2 . 18269 1 520 . 1 1 49 49 LYS HD2 H 1 1.674 0.03 . 2 . . . A 49 LYS HD2 . 18269 1 521 . 1 1 49 49 LYS HE2 H 1 2.990 0.03 . 2 . . . A 49 LYS HE2 . 18269 1 522 . 1 1 49 49 LYS CA C 13 54.044 0.40 . 1 . . . A 49 LYS CA . 18269 1 523 . 1 1 49 49 LYS CB C 13 36.570 0.40 . 1 . . . A 49 LYS CB . 18269 1 524 . 1 1 49 49 LYS CG C 13 24.446 0.40 . 1 . . . A 49 LYS CG . 18269 1 525 . 1 1 49 49 LYS CD C 13 28.956 0.40 . 1 . . . A 49 LYS CD . 18269 1 526 . 1 1 49 49 LYS CE C 13 42.223 0.40 . 1 . . . A 49 LYS CE . 18269 1 527 . 1 1 49 49 LYS N N 15 118.308 0.40 . 1 . . . A 49 LYS N . 18269 1 528 . 1 1 50 50 GLY H H 1 8.866 0.03 . 1 . . . A 50 GLY H . 18269 1 529 . 1 1 50 50 GLY HA2 H 1 3.831 0.03 . 2 . . . A 50 GLY HA2 . 18269 1 530 . 1 1 50 50 GLY HA3 H 1 4.110 0.03 . 2 . . . A 50 GLY HA3 . 18269 1 531 . 1 1 50 50 GLY CA C 13 46.843 0.40 . 1 . . . A 50 GLY CA . 18269 1 532 . 1 1 50 50 GLY N N 15 108.996 0.40 . 1 . . . A 50 GLY N . 18269 1 533 . 1 1 51 51 LYS H H 1 9.254 0.03 . 1 . . . A 51 LYS H . 18269 1 534 . 1 1 51 51 LYS HA H 1 3.970 0.03 . 1 . . . A 51 LYS HA . 18269 1 535 . 1 1 51 51 LYS HB2 H 1 1.584 0.03 . 2 . . . A 51 LYS HB2 . 18269 1 536 . 1 1 51 51 LYS HB3 H 1 1.910 0.03 . 2 . . . A 51 LYS HB3 . 18269 1 537 . 1 1 51 51 LYS HG2 H 1 1.852 0.03 . 2 . . . A 51 LYS HG2 . 18269 1 538 . 1 1 51 51 LYS HD2 H 1 1.570 0.03 . 2 . . . A 51 LYS HD2 . 18269 1 539 . 1 1 51 51 LYS HE2 H 1 3.143 0.03 . 2 . . . A 51 LYS HE2 . 18269 1 540 . 1 1 51 51 LYS HE3 H 1 3.193 0.03 . 2 . . . A 51 LYS HE3 . 18269 1 541 . 1 1 51 51 LYS CA C 13 58.110 0.40 . 1 . . . A 51 LYS CA . 18269 1 542 . 1 1 51 51 LYS CB C 13 32.619 0.40 . 1 . . . A 51 LYS CB . 18269 1 543 . 1 1 51 51 LYS CG C 13 24.790 0.40 . 1 . . . A 51 LYS CG . 18269 1 544 . 1 1 51 51 LYS CD C 13 28.586 0.40 . 1 . . . A 51 LYS CD . 18269 1 545 . 1 1 51 51 LYS CE C 13 42.418 0.40 . 1 . . . A 51 LYS CE . 18269 1 546 . 1 1 51 51 LYS N N 15 126.155 0.40 . 1 . . . A 51 LYS N . 18269 1 547 . 1 1 52 52 GLU H H 1 8.223 0.03 . 1 . . . A 52 GLU H . 18269 1 548 . 1 1 52 52 GLU HA H 1 3.523 0.03 . 1 . . . A 52 GLU HA . 18269 1 549 . 1 1 52 52 GLU HB2 H 1 1.830 0.03 . 2 . . . A 52 GLU HB2 . 18269 1 550 . 1 1 52 52 GLU HB3 H 1 2.221 0.03 . 2 . . . A 52 GLU HB3 . 18269 1 551 . 1 1 52 52 GLU HG2 H 1 2.201 0.03 . 2 . . . A 52 GLU HG2 . 18269 1 552 . 1 1 52 52 GLU HG3 H 1 2.925 0.03 . 2 . . . A 52 GLU HG3 . 18269 1 553 . 1 1 52 52 GLU CA C 13 59.390 0.40 . 1 . . . A 52 GLU CA . 18269 1 554 . 1 1 52 52 GLU CB C 13 28.686 0.40 . 1 . . . A 52 GLU CB . 18269 1 555 . 1 1 52 52 GLU CG C 13 38.705 0.40 . 1 . . . A 52 GLU CG . 18269 1 556 . 1 1 52 52 GLU N N 15 116.496 0.40 . 1 . . . A 52 GLU N . 18269 1 557 . 1 1 53 53 ASN H H 1 6.840 0.03 . 1 . . . A 53 ASN H . 18269 1 558 . 1 1 53 53 ASN HA H 1 4.384 0.03 . 1 . . . A 53 ASN HA . 18269 1 559 . 1 1 53 53 ASN HB2 H 1 2.160 0.03 . 2 . . . A 53 ASN HB2 . 18269 1 560 . 1 1 53 53 ASN HB3 H 1 2.495 0.03 . 2 . . . A 53 ASN HB3 . 18269 1 561 . 1 1 53 53 ASN HD21 H 1 7.000 0.03 . 2 . . . A 53 ASN HD21 . 18269 1 562 . 1 1 53 53 ASN HD22 H 1 7.214 0.03 . 2 . . . A 53 ASN HD22 . 18269 1 563 . 1 1 53 53 ASN CA C 13 56.978 0.40 . 1 . . . A 53 ASN CA . 18269 1 564 . 1 1 53 53 ASN CB C 13 39.446 0.40 . 1 . . . A 53 ASN CB . 18269 1 565 . 1 1 53 53 ASN N N 15 119.000 0.40 . 1 . . . A 53 ASN N . 18269 1 566 . 1 1 53 53 ASN ND2 N 15 111.897 0.40 . 1 . . . A 53 ASN ND2 . 18269 1 567 . 1 1 54 54 ARG H H 1 7.456 0.03 . 1 . . . A 54 ARG H . 18269 1 568 . 1 1 54 54 ARG HA H 1 3.769 0.03 . 1 . . . A 54 ARG HA . 18269 1 569 . 1 1 54 54 ARG HB2 H 1 1.796 0.03 . 2 . . . A 54 ARG HB2 . 18269 1 570 . 1 1 54 54 ARG HB3 H 1 1.863 0.03 . 2 . . . A 54 ARG HB3 . 18269 1 571 . 1 1 54 54 ARG HG2 H 1 1.500 0.03 . 2 . . . A 54 ARG HG2 . 18269 1 572 . 1 1 54 54 ARG HG3 H 1 1.640 0.03 . 2 . . . A 54 ARG HG3 . 18269 1 573 . 1 1 54 54 ARG HD2 H 1 2.903 0.03 . 2 . . . A 54 ARG HD2 . 18269 1 574 . 1 1 54 54 ARG HD3 H 1 3.019 0.03 . 2 . . . A 54 ARG HD3 . 18269 1 575 . 1 1 54 54 ARG HE H 1 6.743 0.03 . 1 . . . A 54 ARG HE . 18269 1 576 . 1 1 54 54 ARG CA C 13 57.397 0.40 . 1 . . . A 54 ARG CA . 18269 1 577 . 1 1 54 54 ARG CB C 13 28.740 0.40 . 1 . . . A 54 ARG CB . 18269 1 578 . 1 1 54 54 ARG CG C 13 25.371 0.40 . 1 . . . A 54 ARG CG . 18269 1 579 . 1 1 54 54 ARG CD C 13 42.598 0.40 . 1 . . . A 54 ARG CD . 18269 1 580 . 1 1 54 54 ARG N N 15 118.480 0.40 . 1 . . . A 54 ARG N . 18269 1 581 . 1 1 54 54 ARG NE N 15 82.826 0.40 . 1 . . . A 54 ARG NE . 18269 1 582 . 1 1 55 55 LEU H H 1 7.843 0.03 . 1 . . . A 55 LEU H . 18269 1 583 . 1 1 55 55 LEU HA H 1 3.808 0.03 . 1 . . . A 55 LEU HA . 18269 1 584 . 1 1 55 55 LEU HB2 H 1 1.226 0.03 . 2 . . . A 55 LEU HB2 . 18269 1 585 . 1 1 55 55 LEU HB3 H 1 1.794 0.03 . 2 . . . A 55 LEU HB3 . 18269 1 586 . 1 1 55 55 LEU HG H 1 1.293 0.03 . 1 . . . A 55 LEU HG . 18269 1 587 . 1 1 55 55 LEU HD11 H 1 0.874 0.03 . 2 . . . A 55 LEU HD11 . 18269 1 588 . 1 1 55 55 LEU HD12 H 1 0.874 0.03 . 2 . . . A 55 LEU HD12 . 18269 1 589 . 1 1 55 55 LEU HD13 H 1 0.874 0.03 . 2 . . . A 55 LEU HD13 . 18269 1 590 . 1 1 55 55 LEU HD21 H 1 0.713 0.03 . 2 . . . A 55 LEU HD21 . 18269 1 591 . 1 1 55 55 LEU HD22 H 1 0.713 0.03 . 2 . . . A 55 LEU HD22 . 18269 1 592 . 1 1 55 55 LEU HD23 H 1 0.713 0.03 . 2 . . . A 55 LEU HD23 . 18269 1 593 . 1 1 55 55 LEU CA C 13 58.459 0.40 . 1 . . . A 55 LEU CA . 18269 1 594 . 1 1 55 55 LEU CB C 13 40.120 0.40 . 1 . . . A 55 LEU CB . 18269 1 595 . 1 1 55 55 LEU CG C 13 26.702 0.40 . 1 . . . A 55 LEU CG . 18269 1 596 . 1 1 55 55 LEU CD1 C 13 24.780 0.40 . 1 . . . A 55 LEU CD1 . 18269 1 597 . 1 1 55 55 LEU CD2 C 13 28.633 0.40 . 1 . . . A 55 LEU CD2 . 18269 1 598 . 1 1 55 55 LEU N N 15 118.688 0.40 . 1 . . . A 55 LEU N . 18269 1 599 . 1 1 56 56 CYS H H 1 7.752 0.03 . 1 . . . A 56 CYS H . 18269 1 600 . 1 1 56 56 CYS HA H 1 3.873 0.03 . 1 . . . A 56 CYS HA . 18269 1 601 . 1 1 56 56 CYS HB2 H 1 2.533 0.03 . 2 . . . A 56 CYS HB2 . 18269 1 602 . 1 1 56 56 CYS HB3 H 1 3.393 0.03 . 2 . . . A 56 CYS HB3 . 18269 1 603 . 1 1 56 56 CYS CA C 13 63.037 0.40 . 1 . . . A 56 CYS CA . 18269 1 604 . 1 1 56 56 CYS CB C 13 41.905 0.40 . 1 . . . A 56 CYS CB . 18269 1 605 . 1 1 56 56 CYS N N 15 115.905 0.40 . 1 . . . A 56 CYS N . 18269 1 606 . 1 1 57 57 TYR H H 1 7.911 0.03 . 1 . . . A 57 TYR H . 18269 1 607 . 1 1 57 57 TYR HA H 1 4.143 0.03 . 1 . . . A 57 TYR HA . 18269 1 608 . 1 1 57 57 TYR HB2 H 1 2.930 0.03 . 2 . . . A 57 TYR HB2 . 18269 1 609 . 1 1 57 57 TYR HB3 H 1 3.057 0.03 . 2 . . . A 57 TYR HB3 . 18269 1 610 . 1 1 57 57 TYR HD1 H 1 6.734 0.03 . 3 . . . A 57 TYR HD1 . 18269 1 611 . 1 1 57 57 TYR HD2 H 1 6.734 0.03 . 3 . . . A 57 TYR HD2 . 18269 1 612 . 1 1 57 57 TYR HE1 H 1 6.742 0.03 . 3 . . . A 57 TYR HE1 . 18269 1 613 . 1 1 57 57 TYR HE2 H 1 6.742 0.03 . 3 . . . A 57 TYR HE2 . 18269 1 614 . 1 1 57 57 TYR CA C 13 61.315 0.40 . 1 . . . A 57 TYR CA . 18269 1 615 . 1 1 57 57 TYR CB C 13 37.054 0.40 . 1 . . . A 57 TYR CB . 18269 1 616 . 1 1 57 57 TYR CD2 C 13 133.114 0.40 . 3 . . . A 57 TYR CD2 . 18269 1 617 . 1 1 57 57 TYR CE2 C 13 117.996 0.40 . 3 . . . A 57 TYR CE2 . 18269 1 618 . 1 1 57 57 TYR N N 15 121.810 0.40 . 1 . . . A 57 TYR N . 18269 1 619 . 1 1 58 58 TYR H H 1 8.334 0.03 . 1 . . . A 58 TYR H . 18269 1 620 . 1 1 58 58 TYR HA H 1 4.375 0.03 . 1 . . . A 58 TYR HA . 18269 1 621 . 1 1 58 58 TYR HB2 H 1 2.997 0.03 . 2 . . . A 58 TYR HB2 . 18269 1 622 . 1 1 58 58 TYR HB3 H 1 3.089 0.03 . 2 . . . A 58 TYR HB3 . 18269 1 623 . 1 1 58 58 TYR HD1 H 1 7.014 0.03 . 3 . . . A 58 TYR HD1 . 18269 1 624 . 1 1 58 58 TYR HD2 H 1 7.014 0.03 . 3 . . . A 58 TYR HD2 . 18269 1 625 . 1 1 58 58 TYR HE1 H 1 6.742 0.03 . 3 . . . A 58 TYR HE1 . 18269 1 626 . 1 1 58 58 TYR HE2 H 1 6.742 0.03 . 3 . . . A 58 TYR HE2 . 18269 1 627 . 1 1 58 58 TYR CA C 13 59.009 0.40 . 1 . . . A 58 TYR CA . 18269 1 628 . 1 1 58 58 TYR CB C 13 38.024 0.40 . 1 . . . A 58 TYR CB . 18269 1 629 . 1 1 58 58 TYR CD2 C 13 131.883 0.40 . 3 . . . A 58 TYR CD2 . 18269 1 630 . 1 1 58 58 TYR CE2 C 13 117.943 0.40 . 3 . . . A 58 TYR CE2 . 18269 1 631 . 1 1 58 58 TYR N N 15 121.916 0.40 . 1 . . . A 58 TYR N . 18269 1 632 . 1 1 59 59 LEU H H 1 8.079 0.03 . 1 . . . A 59 LEU H . 18269 1 633 . 1 1 59 59 LEU HA H 1 4.120 0.03 . 1 . . . A 59 LEU HA . 18269 1 634 . 1 1 59 59 LEU HB2 H 1 1.498 0.03 . 2 . . . A 59 LEU HB2 . 18269 1 635 . 1 1 59 59 LEU HB3 H 1 1.854 0.03 . 2 . . . A 59 LEU HB3 . 18269 1 636 . 1 1 59 59 LEU HG H 1 2.073 0.03 . 1 . . . A 59 LEU HG . 18269 1 637 . 1 1 59 59 LEU HD11 H 1 0.771 0.03 . 2 . . . A 59 LEU HD11 . 18269 1 638 . 1 1 59 59 LEU HD12 H 1 0.771 0.03 . 2 . . . A 59 LEU HD12 . 18269 1 639 . 1 1 59 59 LEU HD13 H 1 0.771 0.03 . 2 . . . A 59 LEU HD13 . 18269 1 640 . 1 1 59 59 LEU HD21 H 1 0.784 0.03 . 2 . . . A 59 LEU HD21 . 18269 1 641 . 1 1 59 59 LEU HD22 H 1 0.784 0.03 . 2 . . . A 59 LEU HD22 . 18269 1 642 . 1 1 59 59 LEU HD23 H 1 0.784 0.03 . 2 . . . A 59 LEU HD23 . 18269 1 643 . 1 1 59 59 LEU CA C 13 55.229 0.40 . 1 . . . A 59 LEU CA . 18269 1 644 . 1 1 59 59 LEU CB C 13 42.045 0.40 . 1 . . . A 59 LEU CB . 18269 1 645 . 1 1 59 59 LEU CG C 13 25.724 0.40 . 1 . . . A 59 LEU CG . 18269 1 646 . 1 1 59 59 LEU CD1 C 13 25.206 0.40 . 1 . . . A 59 LEU CD1 . 18269 1 647 . 1 1 59 59 LEU CD2 C 13 22.867 0.40 . 1 . . . A 59 LEU CD2 . 18269 1 648 . 1 1 59 59 LEU N N 15 114.461 0.40 . 1 . . . A 59 LEU N . 18269 1 649 . 1 1 60 60 GLY H H 1 7.562 0.03 . 1 . . . A 60 GLY H . 18269 1 650 . 1 1 60 60 GLY HA2 H 1 3.657 0.03 . 2 . . . A 60 GLY HA2 . 18269 1 651 . 1 1 60 60 GLY HA3 H 1 4.239 0.03 . 2 . . . A 60 GLY HA3 . 18269 1 652 . 1 1 60 60 GLY CA C 13 45.572 0.40 . 1 . . . A 60 GLY CA . 18269 1 653 . 1 1 60 60 GLY N N 15 102.559 0.40 . 1 . . . A 60 GLY N . 18269 1 654 . 1 1 61 61 ALA H H 1 7.995 0.03 . 1 . . . A 61 ALA H . 18269 1 655 . 1 1 61 61 ALA HA H 1 4.401 0.03 . 1 . . . A 61 ALA HA . 18269 1 656 . 1 1 61 61 ALA HB1 H 1 1.308 0.03 . 1 . . . A 61 ALA HB1 . 18269 1 657 . 1 1 61 61 ALA HB2 H 1 1.308 0.03 . 1 . . . A 61 ALA HB2 . 18269 1 658 . 1 1 61 61 ALA HB3 H 1 1.308 0.03 . 1 . . . A 61 ALA HB3 . 18269 1 659 . 1 1 61 61 ALA CA C 13 51.265 0.40 . 1 . . . A 61 ALA CA . 18269 1 660 . 1 1 61 61 ALA CB C 13 20.337 0.40 . 1 . . . A 61 ALA CB . 18269 1 661 . 1 1 61 61 ALA N N 15 120.327 0.40 . 1 . . . A 61 ALA N . 18269 1 662 . 1 1 62 62 THR H H 1 7.156 0.03 . 1 . . . A 62 THR H . 18269 1 663 . 1 1 62 62 THR HA H 1 4.518 0.03 . 1 . . . A 62 THR HA . 18269 1 664 . 1 1 62 62 THR HB H 1 4.414 0.03 . 1 . . . A 62 THR HB . 18269 1 665 . 1 1 62 62 THR HG21 H 1 0.998 0.03 . 1 . . . A 62 THR HG21 . 18269 1 666 . 1 1 62 62 THR HG22 H 1 0.998 0.03 . 1 . . . A 62 THR HG22 . 18269 1 667 . 1 1 62 62 THR HG23 H 1 0.998 0.03 . 1 . . . A 62 THR HG23 . 18269 1 668 . 1 1 62 62 THR CA C 13 59.982 0.40 . 1 . . . A 62 THR CA . 18269 1 669 . 1 1 62 62 THR CB C 13 70.540 0.40 . 1 . . . A 62 THR CB . 18269 1 670 . 1 1 62 62 THR CG2 C 13 21.953 0.40 . 1 . . . A 62 THR CG2 . 18269 1 671 . 1 1 62 62 THR N N 15 106.895 0.40 . 1 . . . A 62 THR N . 18269 1 672 . 1 1 63 63 LYS H H 1 8.626 0.03 . 1 . . . A 63 LYS H . 18269 1 673 . 1 1 63 63 LYS HA H 1 4.097 0.03 . 1 . . . A 63 LYS HA . 18269 1 674 . 1 1 63 63 LYS HB2 H 1 1.852 0.03 . 2 . . . A 63 LYS HB2 . 18269 1 675 . 1 1 63 63 LYS HG2 H 1 1.463 0.03 . 2 . . . A 63 LYS HG2 . 18269 1 676 . 1 1 63 63 LYS HD2 H 1 1.684 0.03 . 2 . . . A 63 LYS HD2 . 18269 1 677 . 1 1 63 63 LYS HE2 H 1 3.000 0.03 . 2 . . . A 63 LYS HE2 . 18269 1 678 . 1 1 63 63 LYS CA C 13 58.272 0.40 . 1 . . . A 63 LYS CA . 18269 1 679 . 1 1 63 63 LYS CB C 13 32.155 0.40 . 1 . . . A 63 LYS CB . 18269 1 680 . 1 1 63 63 LYS CG C 13 24.542 0.40 . 1 . . . A 63 LYS CG . 18269 1 681 . 1 1 63 63 LYS CD C 13 29.067 0.40 . 1 . . . A 63 LYS CD . 18269 1 682 . 1 1 63 63 LYS CE C 13 42.158 0.40 . 1 . . . A 63 LYS CE . 18269 1 683 . 1 1 63 63 LYS N N 15 121.251 0.40 . 1 . . . A 63 LYS N . 18269 1 684 . 1 1 64 64 ASP H H 1 8.441 0.03 . 1 . . . A 64 ASP H . 18269 1 685 . 1 1 64 64 ASP HA H 1 4.557 0.03 . 1 . . . A 64 ASP HA . 18269 1 686 . 1 1 64 64 ASP HB2 H 1 2.777 0.03 . 2 . . . A 64 ASP HB2 . 18269 1 687 . 1 1 64 64 ASP CA C 13 53.902 0.40 . 1 . . . A 64 ASP CA . 18269 1 688 . 1 1 64 64 ASP CB C 13 40.106 0.40 . 1 . . . A 64 ASP CB . 18269 1 689 . 1 1 64 64 ASP N N 15 116.607 0.40 . 1 . . . A 64 ASP N . 18269 1 690 . 1 1 65 65 ALA H H 1 7.368 0.03 . 1 . . . A 65 ALA H . 18269 1 691 . 1 1 65 65 ALA HA H 1 4.085 0.03 . 1 . . . A 65 ALA HA . 18269 1 692 . 1 1 65 65 ALA HB1 H 1 1.332 0.03 . 1 . . . A 65 ALA HB1 . 18269 1 693 . 1 1 65 65 ALA HB2 H 1 1.332 0.03 . 1 . . . A 65 ALA HB2 . 18269 1 694 . 1 1 65 65 ALA HB3 H 1 1.332 0.03 . 1 . . . A 65 ALA HB3 . 18269 1 695 . 1 1 65 65 ALA CA C 13 52.549 0.40 . 1 . . . A 65 ALA CA . 18269 1 696 . 1 1 65 65 ALA CB C 13 19.557 0.40 . 1 . . . A 65 ALA CB . 18269 1 697 . 1 1 65 65 ALA N N 15 122.486 0.40 . 1 . . . A 65 ALA N . 18269 1 698 . 1 1 66 66 ALA H H 1 8.300 0.03 . 1 . . . A 66 ALA H . 18269 1 699 . 1 1 66 66 ALA HA H 1 4.444 0.03 . 1 . . . A 66 ALA HA . 18269 1 700 . 1 1 66 66 ALA HB1 H 1 1.418 0.03 . 1 . . . A 66 ALA HB1 . 18269 1 701 . 1 1 66 66 ALA HB2 H 1 1.418 0.03 . 1 . . . A 66 ALA HB2 . 18269 1 702 . 1 1 66 66 ALA HB3 H 1 1.418 0.03 . 1 . . . A 66 ALA HB3 . 18269 1 703 . 1 1 66 66 ALA CA C 13 52.471 0.40 . 1 . . . A 66 ALA CA . 18269 1 704 . 1 1 66 66 ALA CB C 13 19.265 0.40 . 1 . . . A 66 ALA CB . 18269 1 705 . 1 1 66 66 ALA N N 15 124.171 0.40 . 1 . . . A 66 ALA N . 18269 1 706 . 1 1 67 67 THR H H 1 7.730 0.03 . 1 . . . A 67 THR H . 18269 1 707 . 1 1 67 67 THR HA H 1 4.496 0.03 . 1 . . . A 67 THR HA . 18269 1 708 . 1 1 67 67 THR HB H 1 4.287 0.03 . 1 . . . A 67 THR HB . 18269 1 709 . 1 1 67 67 THR HG21 H 1 1.210 0.03 . 1 . . . A 67 THR HG21 . 18269 1 710 . 1 1 67 67 THR HG22 H 1 1.210 0.03 . 1 . . . A 67 THR HG22 . 18269 1 711 . 1 1 67 67 THR HG23 H 1 1.210 0.03 . 1 . . . A 67 THR HG23 . 18269 1 712 . 1 1 67 67 THR CA C 13 60.881 0.40 . 1 . . . A 67 THR CA . 18269 1 713 . 1 1 67 67 THR CB C 13 70.199 0.40 . 1 . . . A 67 THR CB . 18269 1 714 . 1 1 67 67 THR CG2 C 13 21.361 0.40 . 1 . . . A 67 THR CG2 . 18269 1 715 . 1 1 67 67 THR N N 15 111.638 0.40 . 1 . . . A 67 THR N . 18269 1 716 . 1 1 68 68 LYS H H 1 8.502 0.03 . 1 . . . A 68 LYS H . 18269 1 717 . 1 1 68 68 LYS HA H 1 4.536 0.03 . 1 . . . A 68 LYS HA . 18269 1 718 . 1 1 68 68 LYS HB2 H 1 1.869 0.03 . 2 . . . A 68 LYS HB2 . 18269 1 719 . 1 1 68 68 LYS HB3 H 1 1.979 0.03 . 2 . . . A 68 LYS HB3 . 18269 1 720 . 1 1 68 68 LYS HG2 H 1 1.483 0.03 . 2 . . . A 68 LYS HG2 . 18269 1 721 . 1 1 68 68 LYS HD2 H 1 1.725 0.03 . 2 . . . A 68 LYS HD2 . 18269 1 722 . 1 1 68 68 LYS HE2 H 1 3.038 0.03 . 2 . . . A 68 LYS HE2 . 18269 1 723 . 1 1 68 68 LYS CA C 13 56.562 0.40 . 1 . . . A 68 LYS CA . 18269 1 724 . 1 1 68 68 LYS CB C 13 33.099 0.40 . 1 . . . A 68 LYS CB . 18269 1 725 . 1 1 68 68 LYS CG C 13 24.596 0.40 . 1 . . . A 68 LYS CG . 18269 1 726 . 1 1 68 68 LYS CD C 13 29.117 0.40 . 1 . . . A 68 LYS CD . 18269 1 727 . 1 1 68 68 LYS CE C 13 42.297 0.40 . 1 . . . A 68 LYS CE . 18269 1 728 . 1 1 68 68 LYS N N 15 121.732 0.40 . 1 . . . A 68 LYS N . 18269 1 729 . 1 1 69 69 ILE HA H 1 4.339 0.03 . 1 . . . A 69 ILE HA . 18269 1 730 . 1 1 69 69 ILE HB H 1 1.979 0.03 . 1 . . . A 69 ILE HB . 18269 1 731 . 1 1 69 69 ILE HG12 H 1 1.207 0.03 . 2 . . . A 69 ILE HG12 . 18269 1 732 . 1 1 69 69 ILE HG13 H 1 1.487 0.03 . 2 . . . A 69 ILE HG13 . 18269 1 733 . 1 1 69 69 ILE HG21 H 1 0.908 0.03 . 1 . . . A 69 ILE HG21 . 18269 1 734 . 1 1 69 69 ILE HG22 H 1 0.908 0.03 . 1 . . . A 69 ILE HG22 . 18269 1 735 . 1 1 69 69 ILE HG23 H 1 0.908 0.03 . 1 . . . A 69 ILE HG23 . 18269 1 736 . 1 1 69 69 ILE HD11 H 1 0.859 0.03 . 1 . . . A 69 ILE HD11 . 18269 1 737 . 1 1 69 69 ILE HD12 H 1 0.859 0.03 . 1 . . . A 69 ILE HD12 . 18269 1 738 . 1 1 69 69 ILE HD13 H 1 0.859 0.03 . 1 . . . A 69 ILE HD13 . 18269 1 739 . 1 1 69 69 ILE CA C 13 61.706 0.40 . 1 . . . A 69 ILE CA . 18269 1 740 . 1 1 69 69 ILE CB C 13 37.800 0.40 . 1 . . . A 69 ILE CB . 18269 1 741 . 1 1 69 69 ILE CG1 C 13 27.805 0.40 . 1 . . . A 69 ILE CG1 . 18269 1 742 . 1 1 69 69 ILE CG2 C 13 17.811 0.40 . 1 . . . A 69 ILE CG2 . 18269 1 743 . 1 1 69 69 ILE CD1 C 13 13.457 0.40 . 1 . . . A 69 ILE CD1 . 18269 1 744 . 1 1 70 70 LEU HA H 1 4.131 0.03 . 1 . . . A 70 LEU HA . 18269 1 745 . 1 1 70 70 LEU HB2 H 1 1.659 0.03 . 2 . . . A 70 LEU HB2 . 18269 1 746 . 1 1 70 70 LEU HB3 H 1 1.835 0.03 . 2 . . . A 70 LEU HB3 . 18269 1 747 . 1 1 70 70 LEU HG H 1 1.730 0.03 . 1 . . . A 70 LEU HG . 18269 1 748 . 1 1 70 70 LEU HD11 H 1 0.883 0.03 . 2 . . . A 70 LEU HD11 . 18269 1 749 . 1 1 70 70 LEU HD12 H 1 0.883 0.03 . 2 . . . A 70 LEU HD12 . 18269 1 750 . 1 1 70 70 LEU HD13 H 1 0.883 0.03 . 2 . . . A 70 LEU HD13 . 18269 1 751 . 1 1 70 70 LEU HD21 H 1 0.841 0.03 . 2 . . . A 70 LEU HD21 . 18269 1 752 . 1 1 70 70 LEU HD22 H 1 0.841 0.03 . 2 . . . A 70 LEU HD22 . 18269 1 753 . 1 1 70 70 LEU HD23 H 1 0.841 0.03 . 2 . . . A 70 LEU HD23 . 18269 1 754 . 1 1 70 70 LEU CA C 13 58.616 0.40 . 1 . . . A 70 LEU CA . 18269 1 755 . 1 1 70 70 LEU CB C 13 41.738 0.40 . 1 . . . A 70 LEU CB . 18269 1 756 . 1 1 70 70 LEU CG C 13 26.849 0.40 . 1 . . . A 70 LEU CG . 18269 1 757 . 1 1 70 70 LEU CD1 C 13 24.927 0.40 . 1 . . . A 70 LEU CD1 . 18269 1 758 . 1 1 70 70 LEU CD2 C 13 25.139 0.40 . 1 . . . A 70 LEU CD2 . 18269 1 759 . 1 1 71 71 SER HA H 1 4.817 0.03 . 1 . . . A 71 SER HA . 18269 1 760 . 1 1 71 71 SER HB2 H 1 3.954 0.03 . 2 . . . A 71 SER HB2 . 18269 1 761 . 1 1 71 71 SER CA C 13 60.667 0.40 . 1 . . . A 71 SER CA . 18269 1 762 . 1 1 71 71 SER CB C 13 62.646 0.40 . 1 . . . A 71 SER CB . 18269 1 763 . 1 1 72 72 GLU HA H 1 4.264 0.03 . 1 . . . A 72 GLU HA . 18269 1 764 . 1 1 72 72 GLU HB2 H 1 2.070 0.03 . 2 . . . A 72 GLU HB2 . 18269 1 765 . 1 1 72 72 GLU HG2 H 1 2.309 0.03 . 2 . . . A 72 GLU HG2 . 18269 1 766 . 1 1 72 72 GLU CA C 13 56.629 0.40 . 1 . . . A 72 GLU CA . 18269 1 767 . 1 1 72 72 GLU CB C 13 28.247 0.40 . 1 . . . A 72 GLU CB . 18269 1 768 . 1 1 72 72 GLU CG C 13 35.462 0.40 . 1 . . . A 72 GLU CG . 18269 1 769 . 1 1 73 73 VAL H H 1 7.812 0.03 . 1 . . . A 73 VAL H . 18269 1 770 . 1 1 73 73 VAL HA H 1 4.102 0.03 . 1 . . . A 73 VAL HA . 18269 1 771 . 1 1 73 73 VAL HB H 1 2.260 0.03 . 1 . . . A 73 VAL HB . 18269 1 772 . 1 1 73 73 VAL HG11 H 1 0.998 0.03 . 2 . . . A 73 VAL HG11 . 18269 1 773 . 1 1 73 73 VAL HG12 H 1 0.998 0.03 . 2 . . . A 73 VAL HG12 . 18269 1 774 . 1 1 73 73 VAL HG13 H 1 0.998 0.03 . 2 . . . A 73 VAL HG13 . 18269 1 775 . 1 1 73 73 VAL HG21 H 1 1.070 0.03 . 2 . . . A 73 VAL HG21 . 18269 1 776 . 1 1 73 73 VAL HG22 H 1 1.070 0.03 . 2 . . . A 73 VAL HG22 . 18269 1 777 . 1 1 73 73 VAL HG23 H 1 1.070 0.03 . 2 . . . A 73 VAL HG23 . 18269 1 778 . 1 1 73 73 VAL CA C 13 63.741 0.40 . 1 . . . A 73 VAL CA . 18269 1 779 . 1 1 73 73 VAL CB C 13 33.265 0.40 . 1 . . . A 73 VAL CB . 18269 1 780 . 1 1 73 73 VAL CG1 C 13 22.264 0.40 . 1 . . . A 73 VAL CG1 . 18269 1 781 . 1 1 73 73 VAL CG2 C 13 23.451 0.40 . 1 . . . A 73 VAL CG2 . 18269 1 782 . 1 1 73 73 VAL N N 15 114.786 0.40 . 1 . . . A 73 VAL N . 18269 1 783 . 1 1 74 74 THR HA H 1 3.767 0.03 . 1 . . . A 74 THR HA . 18269 1 784 . 1 1 74 74 THR HB H 1 4.204 0.03 . 1 . . . A 74 THR HB . 18269 1 785 . 1 1 74 74 THR HG21 H 1 1.238 0.03 . 1 . . . A 74 THR HG21 . 18269 1 786 . 1 1 74 74 THR HG22 H 1 1.238 0.03 . 1 . . . A 74 THR HG22 . 18269 1 787 . 1 1 74 74 THR HG23 H 1 1.238 0.03 . 1 . . . A 74 THR HG23 . 18269 1 788 . 1 1 74 74 THR CA C 13 65.584 0.40 . 1 . . . A 74 THR CA . 18269 1 789 . 1 1 74 74 THR CB C 13 67.470 0.40 . 1 . . . A 74 THR CB . 18269 1 790 . 1 1 74 74 THR CG2 C 13 22.707 0.40 . 1 . . . A 74 THR CG2 . 18269 1 791 . 1 1 75 75 ARG HA H 1 4.246 0.03 . 1 . . . A 75 ARG HA . 18269 1 792 . 1 1 75 75 ARG HB2 H 1 1.662 0.03 . 2 . . . A 75 ARG HB2 . 18269 1 793 . 1 1 75 75 ARG HB3 H 1 1.854 0.03 . 2 . . . A 75 ARG HB3 . 18269 1 794 . 1 1 75 75 ARG HG2 H 1 1.991 0.03 . 2 . . . A 75 ARG HG2 . 18269 1 795 . 1 1 75 75 ARG HG3 H 1 2.087 0.03 . 2 . . . A 75 ARG HG3 . 18269 1 796 . 1 1 75 75 ARG HD2 H 1 3.247 0.03 . 2 . . . A 75 ARG HD2 . 18269 1 797 . 1 1 75 75 ARG CA C 13 61.383 0.40 . 1 . . . A 75 ARG CA . 18269 1 798 . 1 1 75 75 ARG CB C 13 28.620 0.40 . 1 . . . A 75 ARG CB . 18269 1 799 . 1 1 75 75 ARG CG C 13 26.838 0.40 . 1 . . . A 75 ARG CG . 18269 1 800 . 1 1 75 75 ARG CD C 13 43.175 0.40 . 1 . . . A 75 ARG CD . 18269 1 801 . 1 1 76 76 PRO HA H 1 4.485 0.03 . 1 . . . A 76 PRO HA . 18269 1 802 . 1 1 76 76 PRO HB2 H 1 2.502 0.03 . 2 . . . A 76 PRO HB2 . 18269 1 803 . 1 1 76 76 PRO HB3 H 1 1.860 0.03 . 2 . . . A 76 PRO HB3 . 18269 1 804 . 1 1 76 76 PRO HG2 H 1 2.030 0.03 . 2 . . . A 76 PRO HG2 . 18269 1 805 . 1 1 76 76 PRO HG3 H 1 2.290 0.03 . 2 . . . A 76 PRO HG3 . 18269 1 806 . 1 1 76 76 PRO HD2 H 1 3.535 0.03 . 2 . . . A 76 PRO HD2 . 18269 1 807 . 1 1 76 76 PRO CA C 13 65.697 0.40 . 1 . . . A 76 PRO CA . 18269 1 808 . 1 1 76 76 PRO CB C 13 30.895 0.40 . 1 . . . A 76 PRO CB . 18269 1 809 . 1 1 76 76 PRO CG C 13 27.964 0.40 . 1 . . . A 76 PRO CG . 18269 1 810 . 1 1 76 76 PRO CD C 13 50.041 0.40 . 1 . . . A 76 PRO CD . 18269 1 811 . 1 1 77 77 MET H H 1 7.685 0.03 . 1 . . . A 77 MET H . 18269 1 812 . 1 1 77 77 MET HA H 1 4.684 0.03 . 1 . . . A 77 MET HA . 18269 1 813 . 1 1 77 77 MET HB2 H 1 1.900 0.03 . 2 . . . A 77 MET HB2 . 18269 1 814 . 1 1 77 77 MET HB3 H 1 2.195 0.03 . 2 . . . A 77 MET HB3 . 18269 1 815 . 1 1 77 77 MET HG2 H 1 2.270 0.03 . 2 . . . A 77 MET HG2 . 18269 1 816 . 1 1 77 77 MET HG3 H 1 2.945 0.03 . 2 . . . A 77 MET HG3 . 18269 1 817 . 1 1 77 77 MET HE1 H 1 1.557 0.03 . 1 . . . A 77 MET HE1 . 18269 1 818 . 1 1 77 77 MET HE2 H 1 1.557 0.03 . 1 . . . A 77 MET HE2 . 18269 1 819 . 1 1 77 77 MET HE3 H 1 1.557 0.03 . 1 . . . A 77 MET HE3 . 18269 1 820 . 1 1 77 77 MET CA C 13 59.347 0.40 . 1 . . . A 77 MET CA . 18269 1 821 . 1 1 77 77 MET CB C 13 32.996 0.40 . 1 . . . A 77 MET CB . 18269 1 822 . 1 1 77 77 MET CG C 13 33.686 0.40 . 1 . . . A 77 MET CG . 18269 1 823 . 1 1 77 77 MET CE C 13 17.461 0.40 . 1 . . . A 77 MET CE . 18269 1 824 . 1 1 77 77 MET N N 15 117.583 0.40 . 1 . . . A 77 MET N . 18269 1 825 . 1 1 78 78 SER H H 1 8.285 0.03 . 1 . . . A 78 SER H . 18269 1 826 . 1 1 78 78 SER HA H 1 4.226 0.03 . 1 . . . A 78 SER HA . 18269 1 827 . 1 1 78 78 SER HB2 H 1 3.998 0.03 . 2 . . . A 78 SER HB2 . 18269 1 828 . 1 1 78 78 SER HB3 H 1 4.066 0.03 . 2 . . . A 78 SER HB3 . 18269 1 829 . 1 1 78 78 SER CA C 13 61.922 0.40 . 1 . . . A 78 SER CA . 18269 1 830 . 1 1 78 78 SER CB C 13 62.406 0.40 . 1 . . . A 78 SER CB . 18269 1 831 . 1 1 78 78 SER N N 15 114.578 0.40 . 1 . . . A 78 SER N . 18269 1 832 . 1 1 79 79 VAL H H 1 7.004 0.03 . 1 . . . A 79 VAL H . 18269 1 833 . 1 1 79 79 VAL HA H 1 4.751 0.03 . 1 . . . A 79 VAL HA . 18269 1 834 . 1 1 79 79 VAL HB H 1 2.620 0.03 . 1 . . . A 79 VAL HB . 18269 1 835 . 1 1 79 79 VAL HG11 H 1 1.024 0.03 . 2 . . . A 79 VAL HG11 . 18269 1 836 . 1 1 79 79 VAL HG12 H 1 1.024 0.03 . 2 . . . A 79 VAL HG12 . 18269 1 837 . 1 1 79 79 VAL HG13 H 1 1.024 0.03 . 2 . . . A 79 VAL HG13 . 18269 1 838 . 1 1 79 79 VAL HG21 H 1 0.965 0.03 . 2 . . . A 79 VAL HG21 . 18269 1 839 . 1 1 79 79 VAL HG22 H 1 0.965 0.03 . 2 . . . A 79 VAL HG22 . 18269 1 840 . 1 1 79 79 VAL HG23 H 1 0.965 0.03 . 2 . . . A 79 VAL HG23 . 18269 1 841 . 1 1 79 79 VAL CA C 13 60.126 0.40 . 1 . . . A 79 VAL CA . 18269 1 842 . 1 1 79 79 VAL CB C 13 30.346 0.40 . 1 . . . A 79 VAL CB . 18269 1 843 . 1 1 79 79 VAL CG1 C 13 18.991 0.40 . 1 . . . A 79 VAL CG1 . 18269 1 844 . 1 1 79 79 VAL CG2 C 13 21.361 0.40 . 1 . . . A 79 VAL CG2 . 18269 1 845 . 1 1 79 79 VAL N N 15 111.248 0.40 . 1 . . . A 79 VAL N . 18269 1 846 . 1 1 80 80 HIS H H 1 8.289 0.03 . 1 . . . A 80 HIS H . 18269 1 847 . 1 1 80 80 HIS HA H 1 4.116 0.03 . 1 . . . A 80 HIS HA . 18269 1 848 . 1 1 80 80 HIS HB2 H 1 3.253 0.03 . 2 . . . A 80 HIS HB2 . 18269 1 849 . 1 1 80 80 HIS CA C 13 56.826 0.40 . 1 . . . A 80 HIS CA . 18269 1 850 . 1 1 80 80 HIS CB C 13 25.889 0.40 . 1 . . . A 80 HIS CB . 18269 1 851 . 1 1 80 80 HIS N N 15 116.703 0.40 . 1 . . . A 80 HIS N . 18269 1 852 . 1 1 81 81 MET H H 1 8.006 0.03 . 1 . . . A 81 MET H . 18269 1 853 . 1 1 81 81 MET HA H 1 4.512 0.03 . 1 . . . A 81 MET HA . 18269 1 854 . 1 1 81 81 MET HB2 H 1 1.604 0.03 . 2 . . . A 81 MET HB2 . 18269 1 855 . 1 1 81 81 MET HB3 H 1 2.013 0.03 . 2 . . . A 81 MET HB3 . 18269 1 856 . 1 1 81 81 MET HG2 H 1 2.692 0.03 . 2 . . . A 81 MET HG2 . 18269 1 857 . 1 1 81 81 MET HG3 H 1 2.732 0.03 . 2 . . . A 81 MET HG3 . 18269 1 858 . 1 1 81 81 MET HE1 H 1 2.086 0.03 . 1 . . . A 81 MET HE1 . 18269 1 859 . 1 1 81 81 MET HE2 H 1 2.086 0.03 . 1 . . . A 81 MET HE2 . 18269 1 860 . 1 1 81 81 MET HE3 H 1 2.086 0.03 . 1 . . . A 81 MET HE3 . 18269 1 861 . 1 1 81 81 MET CA C 13 55.007 0.40 . 1 . . . A 81 MET CA . 18269 1 862 . 1 1 81 81 MET CB C 13 33.265 0.40 . 1 . . . A 81 MET CB . 18269 1 863 . 1 1 81 81 MET CG C 13 31.703 0.40 . 1 . . . A 81 MET CG . 18269 1 864 . 1 1 81 81 MET CE C 13 16.595 0.40 . 1 . . . A 81 MET CE . 18269 1 865 . 1 1 81 81 MET N N 15 120.978 0.40 . 1 . . . A 81 MET N . 18269 1 866 . 1 1 82 82 PRO HA H 1 4.341 0.03 . 1 . . . A 82 PRO HA . 18269 1 867 . 1 1 82 82 PRO HB2 H 1 2.567 0.03 . 2 . . . A 82 PRO HB2 . 18269 1 868 . 1 1 82 82 PRO HB3 H 1 1.875 0.03 . 2 . . . A 82 PRO HB3 . 18269 1 869 . 1 1 82 82 PRO HG2 H 1 2.152 0.03 . 2 . . . A 82 PRO HG2 . 18269 1 870 . 1 1 82 82 PRO HD2 H 1 3.602 0.03 . 2 . . . A 82 PRO HD2 . 18269 1 871 . 1 1 82 82 PRO HD3 H 1 4.097 0.03 . 2 . . . A 82 PRO HD3 . 18269 1 872 . 1 1 82 82 PRO CA C 13 63.236 0.40 . 1 . . . A 82 PRO CA . 18269 1 873 . 1 1 82 82 PRO CB C 13 32.663 0.40 . 1 . . . A 82 PRO CB . 18269 1 874 . 1 1 82 82 PRO CG C 13 28.041 0.40 . 1 . . . A 82 PRO CG . 18269 1 875 . 1 1 82 82 PRO CD C 13 51.151 0.40 . 1 . . . A 82 PRO CD . 18269 1 876 . 1 1 83 83 ALA H H 1 9.196 0.03 . 1 . . . A 83 ALA H . 18269 1 877 . 1 1 83 83 ALA HA H 1 3.946 0.03 . 1 . . . A 83 ALA HA . 18269 1 878 . 1 1 83 83 ALA HB1 H 1 1.612 0.03 . 1 . . . A 83 ALA HB1 . 18269 1 879 . 1 1 83 83 ALA HB2 H 1 1.612 0.03 . 1 . . . A 83 ALA HB2 . 18269 1 880 . 1 1 83 83 ALA HB3 H 1 1.612 0.03 . 1 . . . A 83 ALA HB3 . 18269 1 881 . 1 1 83 83 ALA CA C 13 55.973 0.40 . 1 . . . A 83 ALA CA . 18269 1 882 . 1 1 83 83 ALA CB C 13 19.475 0.40 . 1 . . . A 83 ALA CB . 18269 1 883 . 1 1 83 83 ALA N N 15 126.545 0.40 . 1 . . . A 83 ALA N . 18269 1 884 . 1 1 84 84 MET H H 1 9.289 0.03 . 1 . . . A 84 MET H . 18269 1 885 . 1 1 84 84 MET HA H 1 4.024 0.03 . 1 . . . A 84 MET HA . 18269 1 886 . 1 1 84 84 MET HB2 H 1 2.108 0.03 . 2 . . . A 84 MET HB2 . 18269 1 887 . 1 1 84 84 MET HG2 H 1 2.608 0.03 . 2 . . . A 84 MET HG2 . 18269 1 888 . 1 1 84 84 MET HG3 H 1 2.694 0.03 . 2 . . . A 84 MET HG3 . 18269 1 889 . 1 1 84 84 MET HE1 H 1 2.148 0.03 . 1 . . . A 84 MET HE1 . 18269 1 890 . 1 1 84 84 MET HE2 H 1 2.148 0.03 . 1 . . . A 84 MET HE2 . 18269 1 891 . 1 1 84 84 MET HE3 H 1 2.148 0.03 . 1 . . . A 84 MET HE3 . 18269 1 892 . 1 1 84 84 MET CA C 13 58.812 0.40 . 1 . . . A 84 MET CA . 18269 1 893 . 1 1 84 84 MET CB C 13 32.242 0.40 . 1 . . . A 84 MET CB . 18269 1 894 . 1 1 84 84 MET CG C 13 32.134 0.40 . 1 . . . A 84 MET CG . 18269 1 895 . 1 1 84 84 MET CE C 13 17.892 0.40 . 1 . . . A 84 MET CE . 18269 1 896 . 1 1 84 84 MET N N 15 114.734 0.40 . 1 . . . A 84 MET N . 18269 1 897 . 1 1 85 85 LYS H H 1 6.997 0.03 . 1 . . . A 85 LYS H . 18269 1 898 . 1 1 85 85 LYS HA H 1 4.174 0.03 . 1 . . . A 85 LYS HA . 18269 1 899 . 1 1 85 85 LYS HB2 H 1 1.972 0.03 . 2 . . . A 85 LYS HB2 . 18269 1 900 . 1 1 85 85 LYS HG2 H 1 1.625 0.03 . 2 . . . A 85 LYS HG2 . 18269 1 901 . 1 1 85 85 LYS HD2 H 1 1.642 0.03 . 2 . . . A 85 LYS HD2 . 18269 1 902 . 1 1 85 85 LYS HE2 H 1 3.012 0.03 . 2 . . . A 85 LYS HE2 . 18269 1 903 . 1 1 85 85 LYS CA C 13 58.116 0.40 . 1 . . . A 85 LYS CA . 18269 1 904 . 1 1 85 85 LYS CB C 13 31.793 0.40 . 1 . . . A 85 LYS CB . 18269 1 905 . 1 1 85 85 LYS CG C 13 25.205 0.40 . 1 . . . A 85 LYS CG . 18269 1 906 . 1 1 85 85 LYS CD C 13 28.872 0.40 . 1 . . . A 85 LYS CD . 18269 1 907 . 1 1 85 85 LYS CE C 13 42.061 0.40 . 1 . . . A 85 LYS CE . 18269 1 908 . 1 1 85 85 LYS N N 15 116.490 0.40 . 1 . . . A 85 LYS N . 18269 1 909 . 1 1 86 86 ILE H H 1 7.875 0.03 . 1 . . . A 86 ILE H . 18269 1 910 . 1 1 86 86 ILE HA H 1 3.615 0.03 . 1 . . . A 86 ILE HA . 18269 1 911 . 1 1 86 86 ILE HB H 1 2.028 0.03 . 1 . . . A 86 ILE HB . 18269 1 912 . 1 1 86 86 ILE HG12 H 1 0.887 0.03 . 2 . . . A 86 ILE HG12 . 18269 1 913 . 1 1 86 86 ILE HG13 H 1 1.746 0.03 . 2 . . . A 86 ILE HG13 . 18269 1 914 . 1 1 86 86 ILE HG21 H 1 0.968 0.03 . 1 . . . A 86 ILE HG21 . 18269 1 915 . 1 1 86 86 ILE HG22 H 1 0.968 0.03 . 1 . . . A 86 ILE HG22 . 18269 1 916 . 1 1 86 86 ILE HG23 H 1 0.968 0.03 . 1 . . . A 86 ILE HG23 . 18269 1 917 . 1 1 86 86 ILE HD11 H 1 0.932 0.03 . 1 . . . A 86 ILE HD11 . 18269 1 918 . 1 1 86 86 ILE HD12 H 1 0.932 0.03 . 1 . . . A 86 ILE HD12 . 18269 1 919 . 1 1 86 86 ILE HD13 H 1 0.932 0.03 . 1 . . . A 86 ILE HD13 . 18269 1 920 . 1 1 86 86 ILE CA C 13 66.278 0.40 . 1 . . . A 86 ILE CA . 18269 1 921 . 1 1 86 86 ILE CB C 13 37.520 0.40 . 1 . . . A 86 ILE CB . 18269 1 922 . 1 1 86 86 ILE CG1 C 13 28.136 0.40 . 1 . . . A 86 ILE CG1 . 18269 1 923 . 1 1 86 86 ILE CG2 C 13 17.218 0.40 . 1 . . . A 86 ILE CG2 . 18269 1 924 . 1 1 86 86 ILE CD1 C 13 13.982 0.40 . 1 . . . A 86 ILE CD1 . 18269 1 925 . 1 1 86 86 ILE N N 15 120.561 0.40 . 1 . . . A 86 ILE N . 18269 1 926 . 1 1 87 87 CYS H H 1 8.643 0.03 . 1 . . . A 87 CYS H . 18269 1 927 . 1 1 87 87 CYS HA H 1 4.076 0.03 . 1 . . . A 87 CYS HA . 18269 1 928 . 1 1 87 87 CYS HB2 H 1 3.258 0.03 . 2 . . . A 87 CYS HB2 . 18269 1 929 . 1 1 87 87 CYS CA C 13 61.060 0.40 . 1 . . . A 87 CYS CA . 18269 1 930 . 1 1 87 87 CYS CB C 13 42.733 0.40 . 1 . . . A 87 CYS CB . 18269 1 931 . 1 1 87 87 CYS N N 15 117.323 0.40 . 1 . . . A 87 CYS N . 18269 1 932 . 1 1 88 88 GLU H H 1 8.045 0.03 . 1 . . . A 88 GLU H . 18269 1 933 . 1 1 88 88 GLU HA H 1 3.948 0.03 . 1 . . . A 88 GLU HA . 18269 1 934 . 1 1 88 88 GLU HB2 H 1 2.088 0.03 . 2 . . . A 88 GLU HB2 . 18269 1 935 . 1 1 88 88 GLU HB3 H 1 2.205 0.03 . 2 . . . A 88 GLU HB3 . 18269 1 936 . 1 1 88 88 GLU HG2 H 1 2.266 0.03 . 2 . . . A 88 GLU HG2 . 18269 1 937 . 1 1 88 88 GLU HG3 H 1 2.545 0.03 . 2 . . . A 88 GLU HG3 . 18269 1 938 . 1 1 88 88 GLU CA C 13 59.763 0.40 . 1 . . . A 88 GLU CA . 18269 1 939 . 1 1 88 88 GLU CB C 13 29.764 0.40 . 1 . . . A 88 GLU CB . 18269 1 940 . 1 1 88 88 GLU CG C 13 36.758 0.40 . 1 . . . A 88 GLU CG . 18269 1 941 . 1 1 88 88 GLU N N 15 118.070 0.40 . 1 . . . A 88 GLU N . 18269 1 942 . 1 1 89 89 LYS H H 1 7.530 0.03 . 1 . . . A 89 LYS H . 18269 1 943 . 1 1 89 89 LYS HA H 1 4.138 0.03 . 1 . . . A 89 LYS HA . 18269 1 944 . 1 1 89 89 LYS HB2 H 1 2.092 0.03 . 2 . . . A 89 LYS HB2 . 18269 1 945 . 1 1 89 89 LYS HG2 H 1 1.482 0.03 . 2 . . . A 89 LYS HG2 . 18269 1 946 . 1 1 89 89 LYS HG3 H 1 1.687 0.03 . 2 . . . A 89 LYS HG3 . 18269 1 947 . 1 1 89 89 LYS HD2 H 1 1.721 0.03 . 2 . . . A 89 LYS HD2 . 18269 1 948 . 1 1 89 89 LYS HE2 H 1 2.995 0.03 . 2 . . . A 89 LYS HE2 . 18269 1 949 . 1 1 89 89 LYS HE3 H 1 3.063 0.03 . 2 . . . A 89 LYS HE3 . 18269 1 950 . 1 1 89 89 LYS CA C 13 59.130 0.40 . 1 . . . A 89 LYS CA . 18269 1 951 . 1 1 89 89 LYS CB C 13 31.703 0.40 . 1 . . . A 89 LYS CB . 18269 1 952 . 1 1 89 89 LYS CG C 13 25.036 0.40 . 1 . . . A 89 LYS CG . 18269 1 953 . 1 1 89 89 LYS CD C 13 28.993 0.40 . 1 . . . A 89 LYS CD . 18269 1 954 . 1 1 89 89 LYS CE C 13 42.055 0.40 . 1 . . . A 89 LYS CE . 18269 1 955 . 1 1 89 89 LYS N N 15 119.719 0.40 . 1 . . . A 89 LYS N . 18269 1 956 . 1 1 90 90 LEU H H 1 8.422 0.03 . 1 . . . A 90 LEU H . 18269 1 957 . 1 1 90 90 LEU HA H 1 3.965 0.03 . 1 . . . A 90 LEU HA . 18269 1 958 . 1 1 90 90 LEU HB2 H 1 1.478 0.03 . 2 . . . A 90 LEU HB2 . 18269 1 959 . 1 1 90 90 LEU HB3 H 1 2.125 0.03 . 2 . . . A 90 LEU HB3 . 18269 1 960 . 1 1 90 90 LEU HG H 1 2.058 0.03 . 1 . . . A 90 LEU HG . 18269 1 961 . 1 1 90 90 LEU HD11 H 1 0.864 0.03 . 2 . . . A 90 LEU HD11 . 18269 1 962 . 1 1 90 90 LEU HD12 H 1 0.864 0.03 . 2 . . . A 90 LEU HD12 . 18269 1 963 . 1 1 90 90 LEU HD13 H 1 0.864 0.03 . 2 . . . A 90 LEU HD13 . 18269 1 964 . 1 1 90 90 LEU HD21 H 1 0.742 0.03 . 2 . . . A 90 LEU HD21 . 18269 1 965 . 1 1 90 90 LEU HD22 H 1 0.742 0.03 . 2 . . . A 90 LEU HD22 . 18269 1 966 . 1 1 90 90 LEU HD23 H 1 0.742 0.03 . 2 . . . A 90 LEU HD23 . 18269 1 967 . 1 1 90 90 LEU CA C 13 57.343 0.40 . 1 . . . A 90 LEU CA . 18269 1 968 . 1 1 90 90 LEU CB C 13 40.991 0.40 . 1 . . . A 90 LEU CB . 18269 1 969 . 1 1 90 90 LEU CG C 13 25.925 0.40 . 1 . . . A 90 LEU CG . 18269 1 970 . 1 1 90 90 LEU CD1 C 13 26.370 0.40 . 1 . . . A 90 LEU CD1 . 18269 1 971 . 1 1 90 90 LEU CD2 C 13 22.165 0.40 . 1 . . . A 90 LEU CD2 . 18269 1 972 . 1 1 90 90 LEU N N 15 119.550 0.40 . 1 . . . A 90 LEU N . 18269 1 973 . 1 1 91 91 LYS H H 1 8.218 0.03 . 1 . . . A 91 LYS H . 18269 1 974 . 1 1 91 91 LYS HA H 1 3.862 0.03 . 1 . . . A 91 LYS HA . 18269 1 975 . 1 1 91 91 LYS HB2 H 1 1.951 0.03 . 2 . . . A 91 LYS HB2 . 18269 1 976 . 1 1 91 91 LYS HB3 H 1 2.300 0.03 . 2 . . . A 91 LYS HB3 . 18269 1 977 . 1 1 91 91 LYS HG2 H 1 1.381 0.03 . 2 . . . A 91 LYS HG2 . 18269 1 978 . 1 1 91 91 LYS HG3 H 1 1.505 0.03 . 2 . . . A 91 LYS HG3 . 18269 1 979 . 1 1 91 91 LYS HD2 H 1 1.748 0.03 . 2 . . . A 91 LYS HD2 . 18269 1 980 . 1 1 91 91 LYS HE2 H 1 2.991 0.03 . 2 . . . A 91 LYS HE2 . 18269 1 981 . 1 1 91 91 LYS CA C 13 58.605 0.40 . 1 . . . A 91 LYS CA . 18269 1 982 . 1 1 91 91 LYS CB C 13 32.477 0.40 . 1 . . . A 91 LYS CB . 18269 1 983 . 1 1 91 91 LYS CG C 13 25.293 0.40 . 1 . . . A 91 LYS CG . 18269 1 984 . 1 1 91 91 LYS CD C 13 29.941 0.40 . 1 . . . A 91 LYS CD . 18269 1 985 . 1 1 91 91 LYS CE C 13 42.013 0.40 . 1 . . . A 91 LYS CE . 18269 1 986 . 1 1 91 91 LYS N N 15 119.180 0.40 . 1 . . . A 91 LYS N . 18269 1 987 . 1 1 92 92 LYS H H 1 6.984 0.03 . 1 . . . A 92 LYS H . 18269 1 988 . 1 1 92 92 LYS HA H 1 4.053 0.03 . 1 . . . A 92 LYS HA . 18269 1 989 . 1 1 92 92 LYS HB2 H 1 1.896 0.03 . 2 . . . A 92 LYS HB2 . 18269 1 990 . 1 1 92 92 LYS HG2 H 1 1.497 0.03 . 2 . . . A 92 LYS HG2 . 18269 1 991 . 1 1 92 92 LYS HD2 H 1 1.646 0.03 . 2 . . . A 92 LYS HD2 . 18269 1 992 . 1 1 92 92 LYS HE2 H 1 3.032 0.03 . 2 . . . A 92 LYS HE2 . 18269 1 993 . 1 1 92 92 LYS CA C 13 57.558 0.40 . 1 . . . A 92 LYS CA . 18269 1 994 . 1 1 92 92 LYS CB C 13 31.934 0.40 . 1 . . . A 92 LYS CB . 18269 1 995 . 1 1 92 92 LYS CG C 13 24.966 0.40 . 1 . . . A 92 LYS CG . 18269 1 996 . 1 1 92 92 LYS CD C 13 25.116 0.40 . 1 . . . A 92 LYS CD . 18269 1 997 . 1 1 92 92 LYS CE C 13 42.139 0.40 . 1 . . . A 92 LYS CE . 18269 1 998 . 1 1 92 92 LYS N N 15 113.632 0.40 . 1 . . . A 92 LYS N . 18269 1 999 . 1 1 93 93 LEU H H 1 7.456 0.03 . 1 . . . A 93 LEU H . 18269 1 1000 . 1 1 93 93 LEU HA H 1 4.290 0.03 . 1 . . . A 93 LEU HA . 18269 1 1001 . 1 1 93 93 LEU HB2 H 1 1.562 0.03 . 2 . . . A 93 LEU HB2 . 18269 1 1002 . 1 1 93 93 LEU HB3 H 1 1.883 0.03 . 2 . . . A 93 LEU HB3 . 18269 1 1003 . 1 1 93 93 LEU HG H 1 1.752 0.03 . 1 . . . A 93 LEU HG . 18269 1 1004 . 1 1 93 93 LEU HD11 H 1 0.925 0.03 . 2 . . . A 93 LEU HD11 . 18269 1 1005 . 1 1 93 93 LEU HD12 H 1 0.925 0.03 . 2 . . . A 93 LEU HD12 . 18269 1 1006 . 1 1 93 93 LEU HD13 H 1 0.925 0.03 . 2 . . . A 93 LEU HD13 . 18269 1 1007 . 1 1 93 93 LEU HD21 H 1 0.871 0.03 . 2 . . . A 93 LEU HD21 . 18269 1 1008 . 1 1 93 93 LEU HD22 H 1 0.871 0.03 . 2 . . . A 93 LEU HD22 . 18269 1 1009 . 1 1 93 93 LEU HD23 H 1 0.871 0.03 . 2 . . . A 93 LEU HD23 . 18269 1 1010 . 1 1 93 93 LEU CA C 13 56.104 0.40 . 1 . . . A 93 LEU CA . 18269 1 1011 . 1 1 93 93 LEU CB C 13 42.102 0.40 . 1 . . . A 93 LEU CB . 18269 1 1012 . 1 1 93 93 LEU CG C 13 26.909 0.40 . 1 . . . A 93 LEU CG . 18269 1 1013 . 1 1 93 93 LEU CD1 C 13 25.778 0.40 . 1 . . . A 93 LEU CD1 . 18269 1 1014 . 1 1 93 93 LEU CD2 C 13 22.815 0.40 . 1 . . . A 93 LEU CD2 . 18269 1 1015 . 1 1 93 93 LEU N N 15 119.104 0.40 . 1 . . . A 93 LEU N . 18269 1 1016 . 1 1 94 94 ASP H H 1 7.911 0.03 . 1 . . . A 94 ASP H . 18269 1 1017 . 1 1 94 94 ASP HA H 1 4.556 0.03 . 1 . . . A 94 ASP HA . 18269 1 1018 . 1 1 94 94 ASP HB2 H 1 2.546 0.03 . 2 . . . A 94 ASP HB2 . 18269 1 1019 . 1 1 94 94 ASP CA C 13 54.366 0.40 . 1 . . . A 94 ASP CA . 18269 1 1020 . 1 1 94 94 ASP CB C 13 41.173 0.40 . 1 . . . A 94 ASP CB . 18269 1 1021 . 1 1 94 94 ASP N N 15 116.790 0.40 . 1 . . . A 94 ASP N . 18269 1 1022 . 1 1 95 95 SER H H 1 8.894 0.03 . 1 . . . A 95 SER H . 18269 1 1023 . 1 1 95 95 SER HA H 1 4.186 0.03 . 1 . . . A 95 SER HA . 18269 1 1024 . 1 1 95 95 SER HB2 H 1 3.999 0.03 . 2 . . . A 95 SER HB2 . 18269 1 1025 . 1 1 95 95 SER CA C 13 61.472 0.40 . 1 . . . A 95 SER CA . 18269 1 1026 . 1 1 95 95 SER CB C 13 62.568 0.40 . 1 . . . A 95 SER CB . 18269 1 1027 . 1 1 95 95 SER N N 15 122.399 0.40 . 1 . . . A 95 SER N . 18269 1 1028 . 1 1 96 96 GLN H H 1 8.610 0.03 . 1 . . . A 96 GLN H . 18269 1 1029 . 1 1 96 96 GLN HA H 1 3.862 0.03 . 1 . . . A 96 GLN HA . 18269 1 1030 . 1 1 96 96 GLN HB2 H 1 1.418 0.03 . 2 . . . A 96 GLN HB2 . 18269 1 1031 . 1 1 96 96 GLN HB3 H 1 1.668 0.03 . 2 . . . A 96 GLN HB3 . 18269 1 1032 . 1 1 96 96 GLN HG2 H 1 2.120 0.03 . 2 . . . A 96 GLN HG2 . 18269 1 1033 . 1 1 96 96 GLN HG3 H 1 2.284 0.03 . 2 . . . A 96 GLN HG3 . 18269 1 1034 . 1 1 96 96 GLN HE21 H 1 6.692 0.03 . 2 . . . A 96 GLN HE21 . 18269 1 1035 . 1 1 96 96 GLN HE22 H 1 7.976 0.03 . 2 . . . A 96 GLN HE22 . 18269 1 1036 . 1 1 96 96 GLN CA C 13 58.151 0.40 . 1 . . . A 96 GLN CA . 18269 1 1037 . 1 1 96 96 GLN CB C 13 28.417 0.40 . 1 . . . A 96 GLN CB . 18269 1 1038 . 1 1 96 96 GLN CG C 13 34.438 0.40 . 1 . . . A 96 GLN CG . 18269 1 1039 . 1 1 96 96 GLN N N 15 120.800 0.40 . 1 . . . A 96 GLN N . 18269 1 1040 . 1 1 96 96 GLN NE2 N 15 113.114 0.40 . 1 . . . A 96 GLN NE2 . 18269 1 1041 . 1 1 97 97 ILE H H 1 7.470 0.03 . 1 . . . A 97 ILE H . 18269 1 1042 . 1 1 97 97 ILE HA H 1 3.399 0.03 . 1 . . . A 97 ILE HA . 18269 1 1043 . 1 1 97 97 ILE HB H 1 1.727 0.03 . 1 . . . A 97 ILE HB . 18269 1 1044 . 1 1 97 97 ILE HG12 H 1 0.912 0.03 . 2 . . . A 97 ILE HG12 . 18269 1 1045 . 1 1 97 97 ILE HG13 H 1 1.545 0.03 . 2 . . . A 97 ILE HG13 . 18269 1 1046 . 1 1 97 97 ILE HG21 H 1 0.857 0.03 . 1 . . . A 97 ILE HG21 . 18269 1 1047 . 1 1 97 97 ILE HG22 H 1 0.857 0.03 . 1 . . . A 97 ILE HG22 . 18269 1 1048 . 1 1 97 97 ILE HG23 H 1 0.857 0.03 . 1 . . . A 97 ILE HG23 . 18269 1 1049 . 1 1 97 97 ILE HD11 H 1 0.964 0.03 . 1 . . . A 97 ILE HD11 . 18269 1 1050 . 1 1 97 97 ILE HD12 H 1 0.964 0.03 . 1 . . . A 97 ILE HD12 . 18269 1 1051 . 1 1 97 97 ILE HD13 H 1 0.964 0.03 . 1 . . . A 97 ILE HD13 . 18269 1 1052 . 1 1 97 97 ILE CA C 13 65.831 0.40 . 1 . . . A 97 ILE CA . 18269 1 1053 . 1 1 97 97 ILE CB C 13 38.274 0.40 . 1 . . . A 97 ILE CB . 18269 1 1054 . 1 1 97 97 ILE CG1 C 13 31.703 0.40 . 1 . . . A 97 ILE CG1 . 18269 1 1055 . 1 1 97 97 ILE CG2 C 13 16.890 0.40 . 1 . . . A 97 ILE CG2 . 18269 1 1056 . 1 1 97 97 ILE CD1 C 13 14.843 0.40 . 1 . . . A 97 ILE CD1 . 18269 1 1057 . 1 1 97 97 ILE N N 15 117.387 0.40 . 1 . . . A 97 ILE N . 18269 1 1058 . 1 1 98 98 CYS H H 1 7.410 0.03 . 1 . . . A 98 CYS H . 18269 1 1059 . 1 1 98 98 CYS HA H 1 5.071 0.03 . 1 . . . A 98 CYS HA . 18269 1 1060 . 1 1 98 98 CYS HB2 H 1 3.401 0.03 . 2 . . . A 98 CYS HB2 . 18269 1 1061 . 1 1 98 98 CYS CA C 13 61.973 0.40 . 1 . . . A 98 CYS CA . 18269 1 1062 . 1 1 98 98 CYS CB C 13 48.586 0.40 . 1 . . . A 98 CYS CB . 18269 1 1063 . 1 1 98 98 CYS N N 15 113.485 0.40 . 1 . . . A 98 CYS N . 18269 1 1064 . 1 1 99 99 GLU H H 1 7.308 0.03 . 1 . . . A 99 GLU H . 18269 1 1065 . 1 1 99 99 GLU HA H 1 4.323 0.03 . 1 . . . A 99 GLU HA . 18269 1 1066 . 1 1 99 99 GLU HB2 H 1 1.943 0.03 . 2 . . . A 99 GLU HB2 . 18269 1 1067 . 1 1 99 99 GLU HG2 H 1 2.287 0.03 . 2 . . . A 99 GLU HG2 . 18269 1 1068 . 1 1 99 99 GLU CA C 13 56.726 0.40 . 1 . . . A 99 GLU CA . 18269 1 1069 . 1 1 99 99 GLU CB C 13 29.979 0.40 . 1 . . . A 99 GLU CB . 18269 1 1070 . 1 1 99 99 GLU CG C 13 36.012 0.40 . 1 . . . A 99 GLU CG . 18269 1 1071 . 1 1 99 99 GLU N N 15 119.123 0.40 . 1 . . . A 99 GLU N . 18269 1 1072 . 1 1 100 100 LEU H H 1 6.496 0.03 . 1 . . . A 100 LEU H . 18269 1 1073 . 1 1 100 100 LEU HA H 1 4.297 0.03 . 1 . . . A 100 LEU HA . 18269 1 1074 . 1 1 100 100 LEU HB2 H 1 1.029 0.03 . 2 . . . A 100 LEU HB2 . 18269 1 1075 . 1 1 100 100 LEU HB3 H 1 1.818 0.03 . 2 . . . A 100 LEU HB3 . 18269 1 1076 . 1 1 100 100 LEU HG H 1 2.013 0.03 . 1 . . . A 100 LEU HG . 18269 1 1077 . 1 1 100 100 LEU HD11 H 1 1.024 0.03 . 2 . . . A 100 LEU HD11 . 18269 1 1078 . 1 1 100 100 LEU HD12 H 1 1.024 0.03 . 2 . . . A 100 LEU HD12 . 18269 1 1079 . 1 1 100 100 LEU HD13 H 1 1.024 0.03 . 2 . . . A 100 LEU HD13 . 18269 1 1080 . 1 1 100 100 LEU HD21 H 1 1.003 0.03 . 2 . . . A 100 LEU HD21 . 18269 1 1081 . 1 1 100 100 LEU HD22 H 1 1.003 0.03 . 2 . . . A 100 LEU HD22 . 18269 1 1082 . 1 1 100 100 LEU HD23 H 1 1.003 0.03 . 2 . . . A 100 LEU HD23 . 18269 1 1083 . 1 1 100 100 LEU CA C 13 55.682 0.40 . 1 . . . A 100 LEU CA . 18269 1 1084 . 1 1 100 100 LEU CB C 13 42.961 0.40 . 1 . . . A 100 LEU CB . 18269 1 1085 . 1 1 100 100 LEU CG C 13 25.925 0.40 . 1 . . . A 100 LEU CG . 18269 1 1086 . 1 1 100 100 LEU CD1 C 13 26.651 0.40 . 1 . . . A 100 LEU CD1 . 18269 1 1087 . 1 1 100 100 LEU CD2 C 13 23.731 0.40 . 1 . . . A 100 LEU CD2 . 18269 1 1088 . 1 1 100 100 LEU N N 15 115.771 0.40 . 1 . . . A 100 LEU N . 18269 1 1089 . 1 1 101 101 LYS H H 1 8.575 0.03 . 1 . . . A 101 LYS H . 18269 1 1090 . 1 1 101 101 LYS HA H 1 4.594 0.03 . 1 . . . A 101 LYS HA . 18269 1 1091 . 1 1 101 101 LYS HB2 H 1 1.711 0.03 . 2 . . . A 101 LYS HB2 . 18269 1 1092 . 1 1 101 101 LYS HB3 H 1 2.017 0.03 . 2 . . . A 101 LYS HB3 . 18269 1 1093 . 1 1 101 101 LYS HG2 H 1 1.520 0.03 . 2 . . . A 101 LYS HG2 . 18269 1 1094 . 1 1 101 101 LYS HD2 H 1 1.700 0.03 . 2 . . . A 101 LYS HD2 . 18269 1 1095 . 1 1 101 101 LYS HE2 H 1 3.070 0.03 . 2 . . . A 101 LYS HE2 . 18269 1 1096 . 1 1 101 101 LYS CA C 13 55.350 0.40 . 1 . . . A 101 LYS CA . 18269 1 1097 . 1 1 101 101 LYS CB C 13 35.723 0.40 . 1 . . . A 101 LYS CB . 18269 1 1098 . 1 1 101 101 LYS CG C 13 24.507 0.40 . 1 . . . A 101 LYS CG . 18269 1 1099 . 1 1 101 101 LYS CD C 13 29.179 0.40 . 1 . . . A 101 LYS CD . 18269 1 1100 . 1 1 101 101 LYS CE C 13 42.160 0.40 . 1 . . . A 101 LYS CE . 18269 1 1101 . 1 1 101 101 LYS N N 15 125.672 0.40 . 1 . . . A 101 LYS N . 18269 1 1102 . 1 1 102 102 TYR H H 1 8.756 0.03 . 1 . . . A 102 TYR H . 18269 1 1103 . 1 1 102 102 TYR HA H 1 4.382 0.03 . 1 . . . A 102 TYR HA . 18269 1 1104 . 1 1 102 102 TYR HB2 H 1 2.762 0.03 . 2 . . . A 102 TYR HB2 . 18269 1 1105 . 1 1 102 102 TYR HB3 H 1 3.164 0.03 . 2 . . . A 102 TYR HB3 . 18269 1 1106 . 1 1 102 102 TYR HD1 H 1 7.273 0.03 . 3 . . . A 102 TYR HD1 . 18269 1 1107 . 1 1 102 102 TYR HD2 H 1 7.273 0.03 . 3 . . . A 102 TYR HD2 . 18269 1 1108 . 1 1 102 102 TYR HE1 H 1 6.840 0.03 . 3 . . . A 102 TYR HE1 . 18269 1 1109 . 1 1 102 102 TYR HE2 H 1 6.840 0.03 . 3 . . . A 102 TYR HE2 . 18269 1 1110 . 1 1 102 102 TYR CA C 13 60.024 0.40 . 1 . . . A 102 TYR CA . 18269 1 1111 . 1 1 102 102 TYR CB C 13 38.328 0.40 . 1 . . . A 102 TYR CB . 18269 1 1112 . 1 1 102 102 TYR CD2 C 13 133.195 0.40 . 3 . . . A 102 TYR CD2 . 18269 1 1113 . 1 1 102 102 TYR CE2 C 13 118.372 0.40 . 3 . . . A 102 TYR CE2 . 18269 1 1114 . 1 1 102 102 TYR N N 15 120.395 0.40 . 1 . . . A 102 TYR N . 18269 1 1115 . 1 1 103 103 GLU H H 1 8.835 0.03 . 1 . . . A 103 GLU H . 18269 1 1116 . 1 1 103 103 GLU HA H 1 4.392 0.03 . 1 . . . A 103 GLU HA . 18269 1 1117 . 1 1 103 103 GLU HB2 H 1 2.031 0.03 . 2 . . . A 103 GLU HB2 . 18269 1 1118 . 1 1 103 103 GLU HB3 H 1 2.142 0.03 . 2 . . . A 103 GLU HB3 . 18269 1 1119 . 1 1 103 103 GLU HG2 H 1 2.338 0.03 . 2 . . . A 103 GLU HG2 . 18269 1 1120 . 1 1 103 103 GLU CA C 13 56.327 0.40 . 1 . . . A 103 GLU CA . 18269 1 1121 . 1 1 103 103 GLU CB C 13 30.302 0.40 . 1 . . . A 103 GLU CB . 18269 1 1122 . 1 1 103 103 GLU CG C 13 36.388 0.40 . 1 . . . A 103 GLU CG . 18269 1 1123 . 1 1 103 103 GLU N N 15 121.550 0.40 . 1 . . . A 103 GLU N . 18269 1 1124 . 1 1 104 104 LYS H H 1 8.490 0.03 . 1 . . . A 104 LYS H . 18269 1 1125 . 1 1 104 104 LYS HA H 1 4.461 0.03 . 1 . . . A 104 LYS HA . 18269 1 1126 . 1 1 104 104 LYS HB2 H 1 1.822 0.03 . 2 . . . A 104 LYS HB2 . 18269 1 1127 . 1 1 104 104 LYS HB3 H 1 1.936 0.03 . 2 . . . A 104 LYS HB3 . 18269 1 1128 . 1 1 104 104 LYS HG2 H 1 1.493 0.03 . 2 . . . A 104 LYS HG2 . 18269 1 1129 . 1 1 104 104 LYS HD2 H 1 1.719 0.03 . 2 . . . A 104 LYS HD2 . 18269 1 1130 . 1 1 104 104 LYS HE2 H 1 3.020 0.03 . 2 . . . A 104 LYS HE2 . 18269 1 1131 . 1 1 104 104 LYS CA C 13 56.274 0.40 . 1 . . . A 104 LYS CA . 18269 1 1132 . 1 1 104 104 LYS CB C 13 33.047 0.40 . 1 . . . A 104 LYS CB . 18269 1 1133 . 1 1 104 104 LYS CG C 13 24.507 0.40 . 1 . . . A 104 LYS CG . 18269 1 1134 . 1 1 104 104 LYS CD C 13 29.068 0.40 . 1 . . . A 104 LYS CD . 18269 1 1135 . 1 1 104 104 LYS CE C 13 42.098 0.40 . 1 . . . A 104 LYS CE . 18269 1 1136 . 1 1 104 104 LYS N N 15 122.957 0.40 . 1 . . . A 104 LYS N . 18269 1 1137 . 1 1 105 105 THR H H 1 7.900 0.03 . 1 . . . A 105 THR H . 18269 1 1138 . 1 1 105 105 THR HA H 1 4.190 0.03 . 1 . . . A 105 THR HA . 18269 1 1139 . 1 1 105 105 THR HB H 1 4.275 0.03 . 1 . . . A 105 THR HB . 18269 1 1140 . 1 1 105 105 THR HG21 H 1 1.204 0.03 . 1 . . . A 105 THR HG21 . 18269 1 1141 . 1 1 105 105 THR HG22 H 1 1.204 0.03 . 1 . . . A 105 THR HG22 . 18269 1 1142 . 1 1 105 105 THR HG23 H 1 1.204 0.03 . 1 . . . A 105 THR HG23 . 18269 1 1143 . 1 1 105 105 THR CA C 13 63.162 0.40 . 1 . . . A 105 THR CA . 18269 1 1144 . 1 1 105 105 THR CB C 13 70.603 0.40 . 1 . . . A 105 THR CB . 18269 1 1145 . 1 1 105 105 THR CG2 C 13 21.967 0.40 . 1 . . . A 105 THR CG2 . 18269 1 1146 . 1 1 105 105 THR N N 15 120.977 0.40 . 1 . . . A 105 THR N . 18269 1 stop_ save_