data_27017 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27017 _Entry.Title ; Backbone and sidechain chemical shift assignments of the complex of calmodulin bound to a beta calcineurin A peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-27 _Entry.Accession_date 2017-01-27 _Entry.Last_release_date 2017-01-30 _Entry.Original_release_date 2017-01-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 C. Fowler . Andrew . . 27017 2 Maria 'Nunez Hernandez' . F. . . 27017 3 Madeline Shea . A. . . 27017 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27017 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 798 27017 '15N chemical shifts' 199 27017 '1H chemical shifts' 1231 27017 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-09-29 2017-01-27 update author 'update entry citation' 27017 1 . . 2017-09-11 2017-01-27 original author 'original release' 27017 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID NCBI 5532 'Entrez gene entry for beta calcineurin' 27017 NCBI AAB20487.1 'GenBank entry for calmodulin' 27017 PDB 1CLM 'Structure of Paramecium tetraurelia calmodulin at 1.8 Angstroms resolution' 27017 PDB 1EXR 'The 1.0 Angstrom crystal structure of Ca+2 bound calmodulin' 27017 UniProt P07463 'UniProt entry for calmodulin' 27017 UniProt P16298 'UniProt entry for beta calcineurin' 27017 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27017 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28815458 _Citation.Full_citation . _Citation.Title ; Backbone and side-chain resonance assignments of (Ca2+)4-calmodulin bound to beta calcineurin A CaMBD peptide ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 2 _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 275 _Citation.Page_last 280 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Fowler . Andrew . . 27017 1 2 Maria 'Nunez Hernandez' . F. . . 27017 1 3 Susan O'Donnell . E. . . 27017 1 4 Liping Yu . . . . 27017 1 5 Madeline Shea . A. . . 27017 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID EF-hand 27017 1 calcineurin 27017 1 'calcium-binding protein' 27017 1 calmodulin 27017 1 phosphatase 27017 1 stop_ save_ save_ref_cite_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_cite_1 _Citation.Entry_ID 27017 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21287611 _Citation.Full_citation . _Citation.Title ; Recognition of beta calcineurin by the domains of calmodulin: Thermodynamic and structural evidence for distinct roles ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 79 _Citation.Journal_issue 3 _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 765 _Citation.Page_last 786 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Susan O'Donnell . E. . . 27017 2 2 Liping Yu . . . . 27017 2 3 C. Fowler . Andrew . . 27017 2 4 Madeline Shea . A. . . 27017 2 stop_ save_ save_ref_cite_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_cite_2 _Citation.Entry_ID 27017 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12450379 _Citation.Full_citation . _Citation.Title ; Calcium-Induced Conformational Switching of Paramecium Calmodulin Provides Evidence for Domain Coupling ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 41 _Citation.Journal_issue 48 _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 14158 _Citation.Page_last 14166 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Olav Jaren . R. . . 27017 3 2 James Kranz . K. . . 27017 3 3 Brenda Sorensen . R. . . 27017 3 4 A. Wand . Joshua . . 27017 3 5 Madeline Shea . A. . . 27017 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27017 _Assembly.ID 1 _Assembly.Name CaMCaN _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 calmodulin 1 $calmodulin A . yes native no no . protein . 27017 1 2 'beta calcineurin' 2 $beta_calcineurin_A_peptide B . yes native no no . 'bound peptide' . 27017 1 3 calcium 3 $entity_CA C . no native no no . 'bound ion' 'total of 4 bound calcium ions' 27017 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1CLM . . X-ray 1.8 'Structure of free Ca2+ calmodulin' . 27017 1 yes PDB 1EXR . . X-ray 1.0 'Structure of free Ca2+ calmodulin' . 27017 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_calmodulin _Entity.Sf_category entity _Entity.Sf_framecode calmodulin _Entity.Entry_ID 27017 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name calmodulin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AEQLTEEQIAEFKEAFALFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLSLMARKMKEQD SEEELIEAFKVFDRDGNGLI SAAELRHVMTNLGEKLTDDE VDEMIREADIDGDGHINYEE FVRMMVSK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'initial alanine is residue 1' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI AAB20487.1 . calmodulin . . . . . . . . . . . . . . 27017 1 2 yes UniProt P07463 . calmodulin . . . . . . . . . . . . . . 27017 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'calcium sensor' 27017 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 . ALA . 27017 1 2 . GLU . 27017 1 3 . GLN . 27017 1 4 . LEU . 27017 1 5 . THR . 27017 1 6 . GLU . 27017 1 7 . GLU . 27017 1 8 . GLN . 27017 1 9 . ILE . 27017 1 10 . ALA . 27017 1 11 . GLU . 27017 1 12 . PHE . 27017 1 13 . LYS . 27017 1 14 . GLU . 27017 1 15 . ALA . 27017 1 16 . PHE . 27017 1 17 . ALA . 27017 1 18 . LEU . 27017 1 19 . PHE . 27017 1 20 . ASP . 27017 1 21 . LYS . 27017 1 22 . ASP . 27017 1 23 . GLY . 27017 1 24 . ASP . 27017 1 25 . GLY . 27017 1 26 . THR . 27017 1 27 . ILE . 27017 1 28 . THR . 27017 1 29 . THR . 27017 1 30 . LYS . 27017 1 31 . GLU . 27017 1 32 . LEU . 27017 1 33 . GLY . 27017 1 34 . THR . 27017 1 35 . VAL . 27017 1 36 . MET . 27017 1 37 . ARG . 27017 1 38 . SER . 27017 1 39 . LEU . 27017 1 40 . GLY . 27017 1 41 . GLN . 27017 1 42 . ASN . 27017 1 43 . PRO . 27017 1 44 . THR . 27017 1 45 . GLU . 27017 1 46 . ALA . 27017 1 47 . GLU . 27017 1 48 . LEU . 27017 1 49 . GLN . 27017 1 50 . ASP . 27017 1 51 . MET . 27017 1 52 . ILE . 27017 1 53 . ASN . 27017 1 54 . GLU . 27017 1 55 . VAL . 27017 1 56 . ASP . 27017 1 57 . ALA . 27017 1 58 . ASP . 27017 1 59 . GLY . 27017 1 60 . ASN . 27017 1 61 . GLY . 27017 1 62 . THR . 27017 1 63 . ILE . 27017 1 64 . ASP . 27017 1 65 . PHE . 27017 1 66 . PRO . 27017 1 67 . GLU . 27017 1 68 . PHE . 27017 1 69 . LEU . 27017 1 70 . SER . 27017 1 71 . LEU . 27017 1 72 . MET . 27017 1 73 . ALA . 27017 1 74 . ARG . 27017 1 75 . LYS . 27017 1 76 . MET . 27017 1 77 . LYS . 27017 1 78 . GLU . 27017 1 79 . GLN . 27017 1 80 . ASP . 27017 1 81 . SER . 27017 1 82 . GLU . 27017 1 83 . GLU . 27017 1 84 . GLU . 27017 1 85 . LEU . 27017 1 86 . ILE . 27017 1 87 . GLU . 27017 1 88 . ALA . 27017 1 89 . PHE . 27017 1 90 . LYS . 27017 1 91 . VAL . 27017 1 92 . PHE . 27017 1 93 . ASP . 27017 1 94 . ARG . 27017 1 95 . ASP . 27017 1 96 . GLY . 27017 1 97 . ASN . 27017 1 98 . GLY . 27017 1 99 . LEU . 27017 1 100 . ILE . 27017 1 101 . SER . 27017 1 102 . ALA . 27017 1 103 . ALA . 27017 1 104 . GLU . 27017 1 105 . LEU . 27017 1 106 . ARG . 27017 1 107 . HIS . 27017 1 108 . VAL . 27017 1 109 . MET . 27017 1 110 . THR . 27017 1 111 . ASN . 27017 1 112 . LEU . 27017 1 113 . GLY . 27017 1 114 . GLU . 27017 1 115 . LYS . 27017 1 116 . LEU . 27017 1 117 . THR . 27017 1 118 . ASP . 27017 1 119 . ASP . 27017 1 120 . GLU . 27017 1 121 . VAL . 27017 1 122 . ASP . 27017 1 123 . GLU . 27017 1 124 . MET . 27017 1 125 . ILE . 27017 1 126 . ARG . 27017 1 127 . GLU . 27017 1 128 . ALA . 27017 1 129 . ASP . 27017 1 130 . ILE . 27017 1 131 . ASP . 27017 1 132 . GLY . 27017 1 133 . ASP . 27017 1 134 . GLY . 27017 1 135 . HIS . 27017 1 136 . ILE . 27017 1 137 . ASN . 27017 1 138 . TYR . 27017 1 139 . GLU . 27017 1 140 . GLU . 27017 1 141 . PHE . 27017 1 142 . VAL . 27017 1 143 . ARG . 27017 1 144 . MET . 27017 1 145 . MET . 27017 1 146 . VAL . 27017 1 147 . SER . 27017 1 148 . LYS . 27017 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 . ALA 1 1 27017 1 . GLU 2 2 27017 1 . GLN 3 3 27017 1 . LEU 4 4 27017 1 . THR 5 5 27017 1 . GLU 6 6 27017 1 . GLU 7 7 27017 1 . GLN 8 8 27017 1 . ILE 9 9 27017 1 . ALA 10 10 27017 1 . GLU 11 11 27017 1 . PHE 12 12 27017 1 . LYS 13 13 27017 1 . GLU 14 14 27017 1 . ALA 15 15 27017 1 . PHE 16 16 27017 1 . ALA 17 17 27017 1 . LEU 18 18 27017 1 . PHE 19 19 27017 1 . ASP 20 20 27017 1 . LYS 21 21 27017 1 . ASP 22 22 27017 1 . GLY 23 23 27017 1 . ASP 24 24 27017 1 . GLY 25 25 27017 1 . THR 26 26 27017 1 . ILE 27 27 27017 1 . THR 28 28 27017 1 . THR 29 29 27017 1 . LYS 30 30 27017 1 . GLU 31 31 27017 1 . LEU 32 32 27017 1 . GLY 33 33 27017 1 . THR 34 34 27017 1 . VAL 35 35 27017 1 . MET 36 36 27017 1 . ARG 37 37 27017 1 . SER 38 38 27017 1 . LEU 39 39 27017 1 . GLY 40 40 27017 1 . GLN 41 41 27017 1 . ASN 42 42 27017 1 . PRO 43 43 27017 1 . THR 44 44 27017 1 . GLU 45 45 27017 1 . ALA 46 46 27017 1 . GLU 47 47 27017 1 . LEU 48 48 27017 1 . GLN 49 49 27017 1 . ASP 50 50 27017 1 . MET 51 51 27017 1 . ILE 52 52 27017 1 . ASN 53 53 27017 1 . GLU 54 54 27017 1 . VAL 55 55 27017 1 . ASP 56 56 27017 1 . ALA 57 57 27017 1 . ASP 58 58 27017 1 . GLY 59 59 27017 1 . ASN 60 60 27017 1 . GLY 61 61 27017 1 . THR 62 62 27017 1 . ILE 63 63 27017 1 . ASP 64 64 27017 1 . PHE 65 65 27017 1 . PRO 66 66 27017 1 . GLU 67 67 27017 1 . PHE 68 68 27017 1 . LEU 69 69 27017 1 . SER 70 70 27017 1 . LEU 71 71 27017 1 . MET 72 72 27017 1 . ALA 73 73 27017 1 . ARG 74 74 27017 1 . LYS 75 75 27017 1 . MET 76 76 27017 1 . LYS 77 77 27017 1 . GLU 78 78 27017 1 . GLN 79 79 27017 1 . ASP 80 80 27017 1 . SER 81 81 27017 1 . GLU 82 82 27017 1 . GLU 83 83 27017 1 . GLU 84 84 27017 1 . LEU 85 85 27017 1 . ILE 86 86 27017 1 . GLU 87 87 27017 1 . ALA 88 88 27017 1 . PHE 89 89 27017 1 . LYS 90 90 27017 1 . VAL 91 91 27017 1 . PHE 92 92 27017 1 . ASP 93 93 27017 1 . ARG 94 94 27017 1 . ASP 95 95 27017 1 . GLY 96 96 27017 1 . ASN 97 97 27017 1 . GLY 98 98 27017 1 . LEU 99 99 27017 1 . ILE 100 100 27017 1 . SER 101 101 27017 1 . ALA 102 102 27017 1 . ALA 103 103 27017 1 . GLU 104 104 27017 1 . LEU 105 105 27017 1 . ARG 106 106 27017 1 . HIS 107 107 27017 1 . VAL 108 108 27017 1 . MET 109 109 27017 1 . THR 110 110 27017 1 . ASN 111 111 27017 1 . LEU 112 112 27017 1 . GLY 113 113 27017 1 . GLU 114 114 27017 1 . LYS 115 115 27017 1 . LEU 116 116 27017 1 . THR 117 117 27017 1 . ASP 118 118 27017 1 . ASP 119 119 27017 1 . GLU 120 120 27017 1 . VAL 121 121 27017 1 . ASP 122 122 27017 1 . GLU 123 123 27017 1 . MET 124 124 27017 1 . ILE 125 125 27017 1 . ARG 126 126 27017 1 . GLU 127 127 27017 1 . ALA 128 128 27017 1 . ASP 129 129 27017 1 . ILE 130 130 27017 1 . ASP 131 131 27017 1 . GLY 132 132 27017 1 . ASP 133 133 27017 1 . GLY 134 134 27017 1 . HIS 135 135 27017 1 . ILE 136 136 27017 1 . ASN 137 137 27017 1 . TYR 138 138 27017 1 . GLU 139 139 27017 1 . GLU 140 140 27017 1 . PHE 141 141 27017 1 . VAL 142 142 27017 1 . ARG 143 143 27017 1 . MET 144 144 27017 1 . MET 145 145 27017 1 . VAL 146 146 27017 1 . SER 147 147 27017 1 . LYS 148 148 27017 1 stop_ save_ save_beta_calcineurin_A_peptide _Entity.Sf_category entity _Entity.Sf_framecode beta_calcineurin_A_peptide _Entity.Entry_ID 27017 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name beta_calcineurin_A_peptide _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGSSAAARKEIIRNKIRAI GKMARVFSVLREES ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residues numbered -4 to -1 then 397 to 426' _Entity.Polymer_author_seq_details ; First four residues (GPGS, -4 to -1) are part of a 3C protease cleavage site; beta calcineurin residue S397 is residue 5 of the peptide. ; _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 34 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'beta calcineurin A peptide' _Entity.Mutation . _Entity.EC_number 3.1.3.16 _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes NCBI 5532 . 'beta calcineurin' . . . . . . . . . . . . . . 27017 2 2 yes UniProt P16298 . 'beta calcineurin' . . . . . . . . . . . . . . 27017 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'protein phosphatase' 27017 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -4 GLY . 27017 2 2 -3 PRO . 27017 2 3 -2 GLY . 27017 2 4 -1 SER . 27017 2 5 397 SER . 27017 2 6 398 ALA . 27017 2 7 399 ALA . 27017 2 8 400 ALA . 27017 2 9 401 ARG . 27017 2 10 402 LYS . 27017 2 11 403 GLU . 27017 2 12 404 ILE . 27017 2 13 405 ILE . 27017 2 14 406 ARG . 27017 2 15 407 ASN . 27017 2 16 408 LYS . 27017 2 17 409 ILE . 27017 2 18 410 ARG . 27017 2 19 411 ALA . 27017 2 20 412 ILE . 27017 2 21 413 GLY . 27017 2 22 414 LYS . 27017 2 23 415 MET . 27017 2 24 416 ALA . 27017 2 25 417 ARG . 27017 2 26 418 VAL . 27017 2 27 419 PHE . 27017 2 28 420 SER . 27017 2 29 421 VAL . 27017 2 30 422 LEU . 27017 2 31 423 ARG . 27017 2 32 424 GLU . 27017 2 33 425 GLU . 27017 2 34 426 SER . 27017 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27017 2 . PRO 2 2 27017 2 . GLY 3 3 27017 2 . SER 4 4 27017 2 . SER 5 5 27017 2 . ALA 6 6 27017 2 . ALA 7 7 27017 2 . ALA 8 8 27017 2 . ARG 9 9 27017 2 . LYS 10 10 27017 2 . GLU 11 11 27017 2 . ILE 12 12 27017 2 . ILE 13 13 27017 2 . ARG 14 14 27017 2 . ASN 15 15 27017 2 . LYS 16 16 27017 2 . ILE 17 17 27017 2 . ARG 18 18 27017 2 . ALA 19 19 27017 2 . ILE 20 20 27017 2 . GLY 21 21 27017 2 . LYS 22 22 27017 2 . MET 23 23 27017 2 . ALA 24 24 27017 2 . ARG 25 25 27017 2 . VAL 26 26 27017 2 . PHE 27 27 27017 2 . SER 28 28 27017 2 . VAL 29 29 27017 2 . LEU 30 30 27017 2 . ARG 31 31 27017 2 . GLU 32 32 27017 2 . GLU 33 33 27017 2 . SER 34 34 27017 2 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 27017 _Entity.ID 3 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 27017 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 27017 3 CA 'Three letter code' 27017 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 27017 3 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 27017 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $calmodulin . 5888 organism . 'Paramecium tetraurelia' 'Paramecium tetraurelia' . . Eukaryota . Paramecium tetraurelia . . . . . . . . . . . . . 27017 1 2 2 $beta_calcineurin_A_peptide . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27017 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 27017 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $calmodulin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . PT7-7 . . . 27017 1 2 2 $beta_calcineurin_A_peptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pBG101 . . . 27017 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 27017 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 27017 CA InChI=1S/Ca/q+2 InChI InChI 1.03 27017 CA [Ca++] SMILES CACTVS 3.341 27017 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 27017 CA [Ca+2] SMILES ACDLabs 10.04 27017 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 27017 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27017 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 27017 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27017 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 27017 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27017 _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 calmodulin '[U-99% 13C; U-99% 15N]' . . 1 $calmodulin . . 0.85 . . mM . . . . 27017 1 2 'beta calcineurin A peptide' '[U-99% 13C; U-99% 15N]' . . 2 $beta_calcineurin_A_peptide . . 0.85 . . mM . . . . 27017 1 3 calcium 'natural abundance' . . 3 $entity_CA . . 5 . . mM . . . . 27017 1 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27017 1 5 imidazole '[U-99% 2H]' . . . . . . 10 . . mM . . . . 27017 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 27017 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27017 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 calmodulin '[U-99% 13C; U-99% 15N]' . . 1 $calmodulin . . 0.85 . . mM . . . . 27017 2 2 'beta calcineurin A peptide' '[U-99% 13C; U-99% 15N]' . . 2 $beta_calcineurin_A_peptide . . 0.85 . . mM . . . . 27017 2 3 calcium 'natural abundance' . . 3 $entity_CA . . 5 . . mM . . . . 27017 2 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27017 2 5 imidazole '[U-99% 2H]' . . . . . . 10 . . mM . . . . 27017 2 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 27017 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 27017 _Sample.ID 3 _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 calmodulin '[U-99% 15N]' . . 1 $calmodulin . . 0.78 . . mM . . . . 27017 3 2 'beta calcineurin A peptide' '[U-99% 15N]' . . 2 $beta_calcineurin_A_peptide . . 0.78 . . mM . . . . 27017 3 3 calcium 'natural abundance' . . 3 $entity_CA . . 5 . . mM . . . . 27017 3 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27017 3 5 imidazole '[U-99% 2H]' . . . . . . 10 . . mM . . . . 27017 3 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 27017 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 27017 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 calmodulin 'natural abundance' . . 1 $calmodulin . . 0.9 . . mM . . . . 27017 4 2 'beta calcineurin A peptide' 'natural abundance' . . 2 $beta_calcineurin_A_peptide . . 0.9 . . mM . . . . 27017 4 3 calcium 'natural abundance' . . 3 $entity_CA . . 5 . . mM . . . . 27017 4 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27017 4 5 imidazole '[U-99% 2H]' . . . . . . 10 . . mM . . . . 27017 4 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 27017 4 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 27017 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 27017 1 pH 6.5 . pH 27017 1 pressure 1 . atm 27017 1 temperature 298 . K 27017 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27017 _Software.ID 1 _Software.Name VNMRJ _Software.Version 2.1B _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27017 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27017 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27017 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27017 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27017 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 27017 _Software.ID 3 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27017 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27017 3 'data analysis' 27017 3 'peak picking' 27017 3 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 27017 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27017 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 27017 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 27017 _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 . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 1 8 '2D 1H-13C HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 1 10 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 1 12 '2D 1H-13C CT-HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 1 13 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 1 14 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 1 15 '2D 1H-1H gCOSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 1 16 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 1 17 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27017 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 27017 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.773 na indirect 0.25144953 . . . . . 27017 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 27017 1 N 15 water protons . . . . ppm 4.773 na indirect 0.101329118 . . . . . 27017 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 27017 _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' . . . 27017 1 2 '3D HNCACB' . . . 27017 1 3 '3D CBCA(CO)NH' . . . 27017 1 4 '3D HNCO' . . . 27017 1 5 '3D C(CO)NH' . . . 27017 1 6 '3D HBHA(CO)NH' . . . 27017 1 7 '3D 1H-15N NOESY' . . . 27017 1 8 '2D 1H-13C HMQC' . . . 27017 1 9 '3D 1H-13C NOESY' . . . 27017 1 10 '3D HCACO' . . . 27017 1 11 '3D HCCH-TOCSY' . . . 27017 1 12 '2D 1H-13C CT-HSQC aromatic' . . . 27017 1 13 '2D (HB)CB(CGCD)HD' . . . 27017 1 14 '2D (HB)CB(CGCDCE)HE' . . . 27017 1 15 '2D 1H-1H gCOSY' . . . 27017 1 16 '2D 1H-1H TOCSY' . . . 27017 1 17 '2D 1H-1H NOESY' . . . 27017 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $Analysis . . 27017 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 ALA HA H 1 4.107 0.002 . 1 . . . . 1 ALA HA . 27017 1 2 . 1 1 1 1 ALA HB1 H 1 1.528 0.001 . 1 . . . . 1 ALA HB1 . 27017 1 3 . 1 1 1 1 ALA HB2 H 1 1.528 0.001 . 1 . . . . 1 ALA HB2 . 27017 1 4 . 1 1 1 1 ALA HB3 H 1 1.528 0.001 . 1 . . . . 1 ALA HB3 . 27017 1 5 . 1 1 1 1 ALA C C 13 173.607 0.000 . 1 . . . . 1 ALA C . 27017 1 6 . 1 1 1 1 ALA CA C 13 51.711 0.125 . 1 . . . . 1 ALA CA . 27017 1 7 . 1 1 1 1 ALA CB C 13 19.138 0.112 . 1 . . . . 1 ALA CB . 27017 1 8 . 1 1 2 2 GLU HA H 1 4.337 0.004 . 1 . . . . 2 GLU HA . 27017 1 9 . 1 1 2 2 GLU HB2 H 1 1.906 0.002 . 2 . . . . 2 GLU HB2 . 27017 1 10 . 1 1 2 2 GLU HB3 H 1 2.061 0.002 . 2 . . . . 2 GLU HB3 . 27017 1 11 . 1 1 2 2 GLU HG2 H 1 2.286 0.001 . 1 . . . . 2 GLU HG2 . 27017 1 12 . 1 1 2 2 GLU HG3 H 1 2.286 0.001 . 1 . . . . 2 GLU HG3 . 27017 1 13 . 1 1 2 2 GLU C C 13 176.029 0.023 . 1 . . . . 2 GLU C . 27017 1 14 . 1 1 2 2 GLU CA C 13 56.411 0.087 . 1 . . . . 2 GLU CA . 27017 1 15 . 1 1 2 2 GLU CB C 13 30.256 0.087 . 1 . . . . 2 GLU CB . 27017 1 16 . 1 1 2 2 GLU CG C 13 36.187 0.030 . 1 . . . . 2 GLU CG . 27017 1 17 . 1 1 3 3 GLN H H 1 8.505 0.006 . 1 . . . . 3 GLN H . 27017 1 18 . 1 1 3 3 GLN HA H 1 4.385 0.002 . 1 . . . . 3 GLN HA . 27017 1 19 . 1 1 3 3 GLN HB2 H 1 1.989 0.003 . 2 . . . . 3 GLN HB2 . 27017 1 20 . 1 1 3 3 GLN HB3 H 1 2.093 0.004 . 2 . . . . 3 GLN HB3 . 27017 1 21 . 1 1 3 3 GLN HG2 H 1 2.368 0.001 . 1 . . . . 3 GLN HG2 . 27017 1 22 . 1 1 3 3 GLN HG3 H 1 2.368 0.001 . 1 . . . . 3 GLN HG3 . 27017 1 23 . 1 1 3 3 GLN HE21 H 1 7.550 0.002 . 1 . . . . 3 GLN HE21 . 27017 1 24 . 1 1 3 3 GLN HE22 H 1 6.848 0.002 . 1 . . . . 3 GLN HE22 . 27017 1 25 . 1 1 3 3 GLN C C 13 175.557 0.017 . 1 . . . . 3 GLN C . 27017 1 26 . 1 1 3 3 GLN CA C 13 55.455 0.054 . 1 . . . . 3 GLN CA . 27017 1 27 . 1 1 3 3 GLN CB C 13 29.660 0.079 . 1 . . . . 3 GLN CB . 27017 1 28 . 1 1 3 3 GLN CG C 13 33.686 0.058 . 1 . . . . 3 GLN CG . 27017 1 29 . 1 1 3 3 GLN CD C 13 180.590 0.015 . 1 . . . . 3 GLN CD . 27017 1 30 . 1 1 3 3 GLN N N 15 121.695 0.026 . 1 . . . . 3 GLN N . 27017 1 31 . 1 1 3 3 GLN NE2 N 15 112.640 0.062 . 1 . . . . 3 GLN NE2 . 27017 1 32 . 1 1 4 4 LEU H H 1 8.298 0.006 . 1 . . . . 4 LEU H . 27017 1 33 . 1 1 4 4 LEU HA H 1 4.713 0.006 . 1 . . . . 4 LEU HA . 27017 1 34 . 1 1 4 4 LEU HB2 H 1 1.549 0.010 . 2 . . . . 4 LEU HB2 . 27017 1 35 . 1 1 4 4 LEU HB3 H 1 1.716 0.007 . 2 . . . . 4 LEU HB3 . 27017 1 36 . 1 1 4 4 LEU HD11 H 1 0.923 0.002 . 2 . . . . 4 LEU HD11 . 27017 1 37 . 1 1 4 4 LEU HD12 H 1 0.923 0.002 . 2 . . . . 4 LEU HD12 . 27017 1 38 . 1 1 4 4 LEU HD13 H 1 0.923 0.002 . 2 . . . . 4 LEU HD13 . 27017 1 39 . 1 1 4 4 LEU HD21 H 1 0.876 0.003 . 2 . . . . 4 LEU HD21 . 27017 1 40 . 1 1 4 4 LEU HD22 H 1 0.876 0.003 . 2 . . . . 4 LEU HD22 . 27017 1 41 . 1 1 4 4 LEU HD23 H 1 0.876 0.003 . 2 . . . . 4 LEU HD23 . 27017 1 42 . 1 1 4 4 LEU C C 13 177.746 0.013 . 1 . . . . 4 LEU C . 27017 1 43 . 1 1 4 4 LEU CA C 13 54.357 0.068 . 1 . . . . 4 LEU CA . 27017 1 44 . 1 1 4 4 LEU CB C 13 43.769 0.034 . 1 . . . . 4 LEU CB . 27017 1 45 . 1 1 4 4 LEU CD1 C 13 23.478 0.023 . 2 . . . . 4 LEU CD1 . 27017 1 46 . 1 1 4 4 LEU CD2 C 13 26.756 0.051 . 2 . . . . 4 LEU CD2 . 27017 1 47 . 1 1 4 4 LEU N N 15 124.086 0.031 . 1 . . . . 4 LEU N . 27017 1 48 . 1 1 5 5 THR H H 1 8.834 0.004 . 1 . . . . 5 THR H . 27017 1 49 . 1 1 5 5 THR HA H 1 4.484 0.004 . 1 . . . . 5 THR HA . 27017 1 50 . 1 1 5 5 THR HB H 1 4.821 0.004 . 1 . . . . 5 THR HB . 27017 1 51 . 1 1 5 5 THR HG21 H 1 1.370 0.004 . 1 . . . . 5 THR HG21 . 27017 1 52 . 1 1 5 5 THR HG22 H 1 1.370 0.004 . 1 . . . . 5 THR HG22 . 27017 1 53 . 1 1 5 5 THR HG23 H 1 1.370 0.004 . 1 . . . . 5 THR HG23 . 27017 1 54 . 1 1 5 5 THR C C 13 175.304 0.049 . 1 . . . . 5 THR C . 27017 1 55 . 1 1 5 5 THR CA C 13 60.533 0.069 . 1 . . . . 5 THR CA . 27017 1 56 . 1 1 5 5 THR CB C 13 71.239 0.057 . 1 . . . . 5 THR CB . 27017 1 57 . 1 1 5 5 THR CG2 C 13 21.652 0.050 . 1 . . . . 5 THR CG2 . 27017 1 58 . 1 1 5 5 THR N N 15 113.234 0.043 . 1 . . . . 5 THR N . 27017 1 59 . 1 1 6 6 GLU H H 1 9.032 0.002 . 1 . . . . 6 GLU H . 27017 1 60 . 1 1 6 6 GLU HA H 1 4.011 0.003 . 1 . . . . 6 GLU HA . 27017 1 61 . 1 1 6 6 GLU HB2 H 1 2.081 0.005 . 2 . . . . 6 GLU HB2 . 27017 1 62 . 1 1 6 6 GLU HB3 H 1 2.082 0.003 . 2 . . . . 6 GLU HB3 . 27017 1 63 . 1 1 6 6 GLU HG2 H 1 2.434 0.004 . 2 . . . . 6 GLU HG2 . 27017 1 64 . 1 1 6 6 GLU HG3 H 1 2.371 0.001 . 2 . . . . 6 GLU HG3 . 27017 1 65 . 1 1 6 6 GLU C C 13 179.516 0.056 . 1 . . . . 6 GLU C . 27017 1 66 . 1 1 6 6 GLU CA C 13 60.066 0.101 . 1 . . . . 6 GLU CA . 27017 1 67 . 1 1 6 6 GLU CB C 13 29.285 0.043 . 1 . . . . 6 GLU CB . 27017 1 68 . 1 1 6 6 GLU CG C 13 36.594 0.011 . 1 . . . . 6 GLU CG . 27017 1 69 . 1 1 6 6 GLU N N 15 120.408 0.038 . 1 . . . . 6 GLU N . 27017 1 70 . 1 1 7 7 GLU H H 1 8.689 0.002 . 1 . . . . 7 GLU H . 27017 1 71 . 1 1 7 7 GLU HA H 1 4.101 0.002 . 1 . . . . 7 GLU HA . 27017 1 72 . 1 1 7 7 GLU HB2 H 1 1.957 0.005 . 2 . . . . 7 GLU HB2 . 27017 1 73 . 1 1 7 7 GLU HB3 H 1 2.079 0.004 . 2 . . . . 7 GLU HB3 . 27017 1 74 . 1 1 7 7 GLU HG2 H 1 2.299 0.004 . 2 . . . . 7 GLU HG2 . 27017 1 75 . 1 1 7 7 GLU HG3 H 1 2.367 0.002 . 2 . . . . 7 GLU HG3 . 27017 1 76 . 1 1 7 7 GLU C C 13 178.628 0.053 . 1 . . . . 7 GLU C . 27017 1 77 . 1 1 7 7 GLU CA C 13 60.032 0.043 . 1 . . . . 7 GLU CA . 27017 1 78 . 1 1 7 7 GLU CB C 13 29.147 0.072 . 1 . . . . 7 GLU CB . 27017 1 79 . 1 1 7 7 GLU CG C 13 36.738 0.004 . 1 . . . . 7 GLU CG . 27017 1 80 . 1 1 7 7 GLU N N 15 120.030 0.014 . 1 . . . . 7 GLU N . 27017 1 81 . 1 1 8 8 GLN H H 1 7.789 0.003 . 1 . . . . 8 GLN H . 27017 1 82 . 1 1 8 8 GLN HA H 1 4.067 0.012 . 1 . . . . 8 GLN HA . 27017 1 83 . 1 1 8 8 GLN HB2 H 1 1.896 0.014 . 1 . . . . 8 GLN HB2 . 27017 1 84 . 1 1 8 8 GLN HG2 H 1 2.428 0.016 . 1 . . . . 8 GLN HG2 . 27017 1 85 . 1 1 8 8 GLN HE21 H 1 7.690 0.009 . 1 . . . . 8 GLN HE21 . 27017 1 86 . 1 1 8 8 GLN HE22 H 1 6.788 0.008 . 1 . . . . 8 GLN HE22 . 27017 1 87 . 1 1 8 8 GLN C C 13 179.556 0.011 . 1 . . . . 8 GLN C . 27017 1 88 . 1 1 8 8 GLN CA C 13 58.750 0.068 . 1 . . . . 8 GLN CA . 27017 1 89 . 1 1 8 8 GLN CB C 13 29.787 0.151 . 1 . . . . 8 GLN CB . 27017 1 90 . 1 1 8 8 GLN CG C 13 35.123 0.068 . 1 . . . . 8 GLN CG . 27017 1 91 . 1 1 8 8 GLN CD C 13 180.045 0.003 . 1 . . . . 8 GLN CD . 27017 1 92 . 1 1 8 8 GLN N N 15 119.054 0.080 . 1 . . . . 8 GLN N . 27017 1 93 . 1 1 8 8 GLN NE2 N 15 111.570 0.070 . 1 . . . . 8 GLN NE2 . 27017 1 94 . 1 1 9 9 ILE H H 1 8.509 0.003 . 1 . . . . 9 ILE H . 27017 1 95 . 1 1 9 9 ILE HA H 1 3.851 0.006 . 1 . . . . 9 ILE HA . 27017 1 96 . 1 1 9 9 ILE HB H 1 2.054 0.005 . 1 . . . . 9 ILE HB . 27017 1 97 . 1 1 9 9 ILE HG12 H 1 1.123 0.004 . 2 . . . . 9 ILE HG12 . 27017 1 98 . 1 1 9 9 ILE HG13 H 1 1.872 0.008 . 2 . . . . 9 ILE HG13 . 27017 1 99 . 1 1 9 9 ILE HG21 H 1 1.163 0.002 . 1 . . . . 9 ILE HG21 . 27017 1 100 . 1 1 9 9 ILE HG22 H 1 1.163 0.002 . 1 . . . . 9 ILE HG22 . 27017 1 101 . 1 1 9 9 ILE HG23 H 1 1.163 0.002 . 1 . . . . 9 ILE HG23 . 27017 1 102 . 1 1 9 9 ILE HD11 H 1 0.873 0.003 . 1 . . . . 9 ILE HD11 . 27017 1 103 . 1 1 9 9 ILE HD12 H 1 0.873 0.003 . 1 . . . . 9 ILE HD12 . 27017 1 104 . 1 1 9 9 ILE HD13 H 1 0.873 0.003 . 1 . . . . 9 ILE HD13 . 27017 1 105 . 1 1 9 9 ILE C C 13 178.040 0.013 . 1 . . . . 9 ILE C . 27017 1 106 . 1 1 9 9 ILE CA C 13 66.318 0.099 . 1 . . . . 9 ILE CA . 27017 1 107 . 1 1 9 9 ILE CB C 13 37.731 0.118 . 1 . . . . 9 ILE CB . 27017 1 108 . 1 1 9 9 ILE CG1 C 13 30.266 0.045 . 1 . . . . 9 ILE CG1 . 27017 1 109 . 1 1 9 9 ILE CG2 C 13 17.502 0.154 . 1 . . . . 9 ILE CG2 . 27017 1 110 . 1 1 9 9 ILE CD1 C 13 12.825 0.023 . 1 . . . . 9 ILE CD1 . 27017 1 111 . 1 1 9 9 ILE N N 15 120.238 0.052 . 1 . . . . 9 ILE N . 27017 1 112 . 1 1 10 10 ALA H H 1 8.044 0.003 . 1 . . . . 10 ALA H . 27017 1 113 . 1 1 10 10 ALA HA H 1 4.170 0.004 . 1 . . . . 10 ALA HA . 27017 1 114 . 1 1 10 10 ALA HB1 H 1 1.603 0.001 . 1 . . . . 10 ALA HB1 . 27017 1 115 . 1 1 10 10 ALA HB2 H 1 1.603 0.001 . 1 . . . . 10 ALA HB2 . 27017 1 116 . 1 1 10 10 ALA HB3 H 1 1.603 0.001 . 1 . . . . 10 ALA HB3 . 27017 1 117 . 1 1 10 10 ALA C C 13 181.209 0.000 . 1 . . . . 10 ALA C . 27017 1 118 . 1 1 10 10 ALA CA C 13 55.536 0.090 . 1 . . . . 10 ALA CA . 27017 1 119 . 1 1 10 10 ALA CB C 13 17.881 0.065 . 1 . . . . 10 ALA CB . 27017 1 120 . 1 1 10 10 ALA N N 15 121.962 0.027 . 1 . . . . 10 ALA N . 27017 1 121 . 1 1 11 11 GLU H H 1 7.955 0.003 . 1 . . . . 11 GLU H . 27017 1 122 . 1 1 11 11 GLU HA H 1 4.029 0.007 . 1 . . . . 11 GLU HA . 27017 1 123 . 1 1 11 11 GLU HB2 H 1 1.520 0.011 . 1 . . . . 11 GLU HB2 . 27017 1 124 . 1 1 11 11 GLU HG2 H 1 2.648 0.009 . 1 . . . . 11 GLU HG2 . 27017 1 125 . 1 1 11 11 GLU C C 13 180.034 0.041 . 1 . . . . 11 GLU C . 27017 1 126 . 1 1 11 11 GLU CA C 13 59.129 0.091 . 1 . . . . 11 GLU CA . 27017 1 127 . 1 1 11 11 GLU CB C 13 29.266 0.114 . 1 . . . . 11 GLU CB . 27017 1 128 . 1 1 11 11 GLU CG C 13 36.094 0.041 . 1 . . . . 11 GLU CG . 27017 1 129 . 1 1 11 11 GLU N N 15 118.344 0.042 . 1 . . . . 11 GLU N . 27017 1 130 . 1 1 12 12 PHE H H 1 8.499 0.003 . 1 . . . . 12 PHE H . 27017 1 131 . 1 1 12 12 PHE HA H 1 4.817 0.004 . 1 . . . . 12 PHE HA . 27017 1 132 . 1 1 12 12 PHE HB2 H 1 3.534 0.021 . 2 . . . . 12 PHE HB2 . 27017 1 133 . 1 1 12 12 PHE HB3 H 1 3.465 0.005 . 2 . . . . 12 PHE HB3 . 27017 1 134 . 1 1 12 12 PHE HD1 H 1 7.221 0.006 . 1 . . . . 12 PHE HD1 . 27017 1 135 . 1 1 12 12 PHE HD2 H 1 7.221 0.006 . 1 . . . . 12 PHE HD2 . 27017 1 136 . 1 1 12 12 PHE HE1 H 1 7.067 0.006 . 1 . . . . 12 PHE HE1 . 27017 1 137 . 1 1 12 12 PHE HE2 H 1 7.067 0.006 . 1 . . . . 12 PHE HE2 . 27017 1 138 . 1 1 12 12 PHE HZ H 1 7.027 0.016 . 1 . . . . 12 PHE HZ . 27017 1 139 . 1 1 12 12 PHE C C 13 179.023 0.004 . 1 . . . . 12 PHE C . 27017 1 140 . 1 1 12 12 PHE CA C 13 61.594 0.045 . 1 . . . . 12 PHE CA . 27017 1 141 . 1 1 12 12 PHE CB C 13 39.293 0.056 . 1 . . . . 12 PHE CB . 27017 1 142 . 1 1 12 12 PHE CD1 C 13 130.623 0.008 . 1 . . . . 12 PHE CD1 . 27017 1 143 . 1 1 12 12 PHE CD2 C 13 130.623 0.008 . 1 . . . . 12 PHE CD2 . 27017 1 144 . 1 1 12 12 PHE CE1 C 13 131.498 0.002 . 1 . . . . 12 PHE CE1 . 27017 1 145 . 1 1 12 12 PHE CE2 C 13 131.498 0.002 . 1 . . . . 12 PHE CE2 . 27017 1 146 . 1 1 12 12 PHE CZ C 13 131.911 0.017 . 1 . . . . 12 PHE CZ . 27017 1 147 . 1 1 12 12 PHE N N 15 118.531 0.052 . 1 . . . . 12 PHE N . 27017 1 148 . 1 1 13 13 LYS H H 1 9.091 0.002 . 1 . . . . 13 LYS H . 27017 1 149 . 1 1 13 13 LYS HA H 1 3.987 0.006 . 1 . . . . 13 LYS HA . 27017 1 150 . 1 1 13 13 LYS HB2 H 1 1.935 0.002 . 2 . . . . 13 LYS HB2 . 27017 1 151 . 1 1 13 13 LYS HB3 H 1 1.935 0.002 . 2 . . . . 13 LYS HB3 . 27017 1 152 . 1 1 13 13 LYS HG2 H 1 0.971 0.005 . 2 . . . . 13 LYS HG2 . 27017 1 153 . 1 1 13 13 LYS HG3 H 1 1.193 0.003 . 2 . . . . 13 LYS HG3 . 27017 1 154 . 1 1 13 13 LYS HD2 H 1 1.197 0.005 . 2 . . . . 13 LYS HD2 . 27017 1 155 . 1 1 13 13 LYS HD3 H 1 1.344 0.003 . 2 . . . . 13 LYS HD3 . 27017 1 156 . 1 1 13 13 LYS HE2 H 1 2.541 0.004 . 1 . . . . 13 LYS HE2 . 27017 1 157 . 1 1 13 13 LYS HE3 H 1 2.541 0.004 . 1 . . . . 13 LYS HE3 . 27017 1 158 . 1 1 13 13 LYS C C 13 179.348 0.023 . 1 . . . . 13 LYS C . 27017 1 159 . 1 1 13 13 LYS CA C 13 60.262 0.108 . 1 . . . . 13 LYS CA . 27017 1 160 . 1 1 13 13 LYS CB C 13 31.705 0.067 . 1 . . . . 13 LYS CB . 27017 1 161 . 1 1 13 13 LYS CG C 13 25.574 0.077 . 1 . . . . 13 LYS CG . 27017 1 162 . 1 1 13 13 LYS CD C 13 28.606 0.052 . 1 . . . . 13 LYS CD . 27017 1 163 . 1 1 13 13 LYS CE C 13 41.543 0.024 . 1 . . . . 13 LYS CE . 27017 1 164 . 1 1 13 13 LYS N N 15 123.907 0.019 . 1 . . . . 13 LYS N . 27017 1 165 . 1 1 14 14 GLU H H 1 7.883 0.003 . 1 . . . . 14 GLU H . 27017 1 166 . 1 1 14 14 GLU HA H 1 4.254 0.004 . 1 . . . . 14 GLU HA . 27017 1 167 . 1 1 14 14 GLU HB2 H 1 2.198 0.006 . 2 . . . . 14 GLU HB2 . 27017 1 168 . 1 1 14 14 GLU HB3 H 1 2.219 0.002 . 2 . . . . 14 GLU HB3 . 27017 1 169 . 1 1 14 14 GLU HG2 H 1 2.382 0.020 . 2 . . . . 14 GLU HG2 . 27017 1 170 . 1 1 14 14 GLU HG3 H 1 2.457 0.006 . 2 . . . . 14 GLU HG3 . 27017 1 171 . 1 1 14 14 GLU C C 13 179.152 0.008 . 1 . . . . 14 GLU C . 27017 1 172 . 1 1 14 14 GLU CA C 13 59.527 0.065 . 1 . . . . 14 GLU CA . 27017 1 173 . 1 1 14 14 GLU CB C 13 29.746 0.115 . 1 . . . . 14 GLU CB . 27017 1 174 . 1 1 14 14 GLU CG C 13 36.448 0.042 . 1 . . . . 14 GLU CG . 27017 1 175 . 1 1 14 14 GLU N N 15 118.741 0.044 . 1 . . . . 14 GLU N . 27017 1 176 . 1 1 15 15 ALA H H 1 7.654 0.004 . 1 . . . . 15 ALA H . 27017 1 177 . 1 1 15 15 ALA HA H 1 4.277 0.001 . 1 . . . . 15 ALA HA . 27017 1 178 . 1 1 15 15 ALA HB1 H 1 1.911 0.003 . 1 . . . . 15 ALA HB1 . 27017 1 179 . 1 1 15 15 ALA HB2 H 1 1.911 0.003 . 1 . . . . 15 ALA HB2 . 27017 1 180 . 1 1 15 15 ALA HB3 H 1 1.911 0.003 . 1 . . . . 15 ALA HB3 . 27017 1 181 . 1 1 15 15 ALA C C 13 177.590 0.028 . 1 . . . . 15 ALA C . 27017 1 182 . 1 1 15 15 ALA CA C 13 55.233 0.057 . 1 . . . . 15 ALA CA . 27017 1 183 . 1 1 15 15 ALA CB C 13 17.587 0.108 . 1 . . . . 15 ALA CB . 27017 1 184 . 1 1 15 15 ALA N N 15 121.369 0.037 . 1 . . . . 15 ALA N . 27017 1 185 . 1 1 16 16 PHE H H 1 8.591 0.003 . 1 . . . . 16 PHE H . 27017 1 186 . 1 1 16 16 PHE HA H 1 3.380 0.006 . 1 . . . . 16 PHE HA . 27017 1 187 . 1 1 16 16 PHE HB2 H 1 2.920 0.010 . 2 . . . . 16 PHE HB2 . 27017 1 188 . 1 1 16 16 PHE HB3 H 1 3.279 0.009 . 2 . . . . 16 PHE HB3 . 27017 1 189 . 1 1 16 16 PHE HD1 H 1 6.732 0.005 . 1 . . . . 16 PHE HD1 . 27017 1 190 . 1 1 16 16 PHE HD2 H 1 6.732 0.005 . 1 . . . . 16 PHE HD2 . 27017 1 191 . 1 1 16 16 PHE HE1 H 1 6.679 0.015 . 1 . . . . 16 PHE HE1 . 27017 1 192 . 1 1 16 16 PHE HE2 H 1 6.679 0.015 . 1 . . . . 16 PHE HE2 . 27017 1 193 . 1 1 16 16 PHE HZ H 1 7.197 0.004 . 1 . . . . 16 PHE HZ . 27017 1 194 . 1 1 16 16 PHE C C 13 177.383 0.001 . 1 . . . . 16 PHE C . 27017 1 195 . 1 1 16 16 PHE CA C 13 61.447 0.060 . 1 . . . . 16 PHE CA . 27017 1 196 . 1 1 16 16 PHE CB C 13 39.942 0.116 . 1 . . . . 16 PHE CB . 27017 1 197 . 1 1 16 16 PHE CD1 C 13 131.855 0.027 . 1 . . . . 16 PHE CD1 . 27017 1 198 . 1 1 16 16 PHE CD2 C 13 131.855 0.027 . 1 . . . . 16 PHE CD2 . 27017 1 199 . 1 1 16 16 PHE CE1 C 13 131.910 0.011 . 1 . . . . 16 PHE CE1 . 27017 1 200 . 1 1 16 16 PHE CE2 C 13 131.910 0.011 . 1 . . . . 16 PHE CE2 . 27017 1 201 . 1 1 16 16 PHE N N 15 119.149 0.018 . 1 . . . . 16 PHE N . 27017 1 202 . 1 1 17 17 ALA H H 1 8.040 0.004 . 1 . . . . 17 ALA H . 27017 1 203 . 1 1 17 17 ALA HA H 1 3.934 0.003 . 1 . . . . 17 ALA HA . 27017 1 204 . 1 1 17 17 ALA HB1 H 1 1.559 0.005 . 1 . . . . 17 ALA HB1 . 27017 1 205 . 1 1 17 17 ALA HB2 H 1 1.559 0.005 . 1 . . . . 17 ALA HB2 . 27017 1 206 . 1 1 17 17 ALA HB3 H 1 1.559 0.005 . 1 . . . . 17 ALA HB3 . 27017 1 207 . 1 1 17 17 ALA C C 13 177.606 0.009 . 1 . . . . 17 ALA C . 27017 1 208 . 1 1 17 17 ALA CA C 13 54.337 0.084 . 1 . . . . 17 ALA CA . 27017 1 209 . 1 1 17 17 ALA CB C 13 18.462 0.079 . 1 . . . . 17 ALA CB . 27017 1 210 . 1 1 17 17 ALA N N 15 120.150 0.069 . 1 . . . . 17 ALA N . 27017 1 211 . 1 1 18 18 LEU H H 1 7.065 0.003 . 1 . . . . 18 LEU H . 27017 1 212 . 1 1 18 18 LEU HA H 1 3.927 0.005 . 1 . . . . 18 LEU HA . 27017 1 213 . 1 1 18 18 LEU HB2 H 1 1.293 0.018 . 2 . . . . 18 LEU HB2 . 27017 1 214 . 1 1 18 18 LEU HB3 H 1 1.858 0.009 . 2 . . . . 18 LEU HB3 . 27017 1 215 . 1 1 18 18 LEU HD11 H 1 0.637 0.010 . 2 . . . . 18 LEU HD11 . 27017 1 216 . 1 1 18 18 LEU HD12 H 1 0.637 0.010 . 2 . . . . 18 LEU HD12 . 27017 1 217 . 1 1 18 18 LEU HD13 H 1 0.637 0.010 . 2 . . . . 18 LEU HD13 . 27017 1 218 . 1 1 18 18 LEU HD21 H 1 0.658 0.003 . 2 . . . . 18 LEU HD21 . 27017 1 219 . 1 1 18 18 LEU HD22 H 1 0.658 0.003 . 2 . . . . 18 LEU HD22 . 27017 1 220 . 1 1 18 18 LEU HD23 H 1 0.658 0.003 . 2 . . . . 18 LEU HD23 . 27017 1 221 . 1 1 18 18 LEU C C 13 175.823 0.016 . 1 . . . . 18 LEU C . 27017 1 222 . 1 1 18 18 LEU CA C 13 57.340 0.041 . 1 . . . . 18 LEU CA . 27017 1 223 . 1 1 18 18 LEU CB C 13 41.718 0.058 . 1 . . . . 18 LEU CB . 27017 1 224 . 1 1 18 18 LEU CD1 C 13 23.144 0.015 . 2 . . . . 18 LEU CD1 . 27017 1 225 . 1 1 18 18 LEU CD2 C 13 26.019 0.072 . 2 . . . . 18 LEU CD2 . 27017 1 226 . 1 1 18 18 LEU N N 15 117.318 0.033 . 1 . . . . 18 LEU N . 27017 1 227 . 1 1 19 19 PHE H H 1 6.879 0.008 . 1 . . . . 19 PHE H . 27017 1 228 . 1 1 19 19 PHE HA H 1 4.178 0.008 . 1 . . . . 19 PHE HA . 27017 1 229 . 1 1 19 19 PHE HB2 H 1 2.599 0.009 . 2 . . . . 19 PHE HB2 . 27017 1 230 . 1 1 19 19 PHE HB3 H 1 2.727 0.007 . 2 . . . . 19 PHE HB3 . 27017 1 231 . 1 1 19 19 PHE HD1 H 1 7.231 0.010 . 1 . . . . 19 PHE HD1 . 27017 1 232 . 1 1 19 19 PHE HD2 H 1 7.231 0.010 . 1 . . . . 19 PHE HD2 . 27017 1 233 . 1 1 19 19 PHE HE1 H 1 7.215 0.010 . 1 . . . . 19 PHE HE1 . 27017 1 234 . 1 1 19 19 PHE HE2 H 1 7.215 0.010 . 1 . . . . 19 PHE HE2 . 27017 1 235 . 1 1 19 19 PHE HZ H 1 7.058 0.001 . 1 . . . . 19 PHE HZ . 27017 1 236 . 1 1 19 19 PHE C C 13 176.091 0.054 . 1 . . . . 19 PHE C . 27017 1 237 . 1 1 19 19 PHE CA C 13 58.637 0.071 . 1 . . . . 19 PHE CA . 27017 1 238 . 1 1 19 19 PHE CB C 13 41.699 0.066 . 1 . . . . 19 PHE CB . 27017 1 239 . 1 1 19 19 PHE CD1 C 13 132.358 0.026 . 1 . . . . 19 PHE CD1 . 27017 1 240 . 1 1 19 19 PHE CD2 C 13 132.358 0.026 . 1 . . . . 19 PHE CD2 . 27017 1 241 . 1 1 19 19 PHE CE1 C 13 130.823 0.038 . 1 . . . . 19 PHE CE1 . 27017 1 242 . 1 1 19 19 PHE CE2 C 13 130.823 0.038 . 1 . . . . 19 PHE CE2 . 27017 1 243 . 1 1 19 19 PHE CZ C 13 129.057 0.003 . 1 . . . . 19 PHE CZ . 27017 1 244 . 1 1 19 19 PHE N N 15 112.582 0.044 . 1 . . . . 19 PHE N . 27017 1 245 . 1 1 20 20 ASP H H 1 7.663 0.004 . 1 . . . . 20 ASP H . 27017 1 246 . 1 1 20 20 ASP HA H 1 4.568 0.006 . 1 . . . . 20 ASP HA . 27017 1 247 . 1 1 20 20 ASP HB2 H 1 1.411 0.008 . 2 . . . . 20 ASP HB2 . 27017 1 248 . 1 1 20 20 ASP HB3 H 1 2.200 0.009 . 2 . . . . 20 ASP HB3 . 27017 1 249 . 1 1 20 20 ASP C C 13 176.925 0.031 . 1 . . . . 20 ASP C . 27017 1 250 . 1 1 20 20 ASP CA C 13 52.221 0.023 . 1 . . . . 20 ASP CA . 27017 1 251 . 1 1 20 20 ASP CB C 13 39.435 0.043 . 1 . . . . 20 ASP CB . 27017 1 252 . 1 1 20 20 ASP N N 15 116.629 0.032 . 1 . . . . 20 ASP N . 27017 1 253 . 1 1 21 21 LYS H H 1 7.606 0.003 . 1 . . . . 21 LYS H . 27017 1 254 . 1 1 21 21 LYS HA H 1 3.941 0.007 . 1 . . . . 21 LYS HA . 27017 1 255 . 1 1 21 21 LYS HB2 H 1 1.884 0.006 . 2 . . . . 21 LYS HB2 . 27017 1 256 . 1 1 21 21 LYS HB3 H 1 1.822 0.004 . 2 . . . . 21 LYS HB3 . 27017 1 257 . 1 1 21 21 LYS HG2 H 1 1.465 0.005 . 2 . . . . 21 LYS HG2 . 27017 1 258 . 1 1 21 21 LYS HG3 H 1 1.543 0.007 . 2 . . . . 21 LYS HG3 . 27017 1 259 . 1 1 21 21 LYS HD2 H 1 1.662 0.007 . 1 . . . . 21 LYS HD2 . 27017 1 260 . 1 1 21 21 LYS HD3 H 1 1.662 0.007 . 1 . . . . 21 LYS HD3 . 27017 1 261 . 1 1 21 21 LYS HE2 H 1 2.994 0.003 . 1 . . . . 21 LYS HE2 . 27017 1 262 . 1 1 21 21 LYS HE3 H 1 2.994 0.003 . 1 . . . . 21 LYS HE3 . 27017 1 263 . 1 1 21 21 LYS C C 13 178.209 0.001 . 1 . . . . 21 LYS C . 27017 1 264 . 1 1 21 21 LYS CA C 13 58.320 0.053 . 1 . . . . 21 LYS CA . 27017 1 265 . 1 1 21 21 LYS CB C 13 32.638 0.076 . 1 . . . . 21 LYS CB . 27017 1 266 . 1 1 21 21 LYS CG C 13 24.332 0.041 . 1 . . . . 21 LYS CG . 27017 1 267 . 1 1 21 21 LYS CD C 13 28.277 0.049 . 1 . . . . 21 LYS CD . 27017 1 268 . 1 1 21 21 LYS CE C 13 42.290 0.014 . 1 . . . . 21 LYS CE . 27017 1 269 . 1 1 21 21 LYS N N 15 123.535 0.029 . 1 . . . . 21 LYS N . 27017 1 270 . 1 1 22 22 ASP H H 1 8.096 0.004 . 1 . . . . 22 ASP H . 27017 1 271 . 1 1 22 22 ASP HA H 1 4.605 0.008 . 1 . . . . 22 ASP HA . 27017 1 272 . 1 1 22 22 ASP HB2 H 1 2.649 0.011 . 2 . . . . 22 ASP HB2 . 27017 1 273 . 1 1 22 22 ASP HB3 H 1 3.078 0.009 . 2 . . . . 22 ASP HB3 . 27017 1 274 . 1 1 22 22 ASP C C 13 177.718 0.031 . 1 . . . . 22 ASP C . 27017 1 275 . 1 1 22 22 ASP CA C 13 52.839 0.060 . 1 . . . . 22 ASP CA . 27017 1 276 . 1 1 22 22 ASP CB C 13 39.670 0.043 . 1 . . . . 22 ASP CB . 27017 1 277 . 1 1 22 22 ASP N N 15 113.925 0.015 . 1 . . . . 22 ASP N . 27017 1 278 . 1 1 23 23 GLY H H 1 7.639 0.005 . 1 . . . . 23 GLY H . 27017 1 279 . 1 1 23 23 GLY HA2 H 1 3.853 0.028 . 2 . . . . 23 GLY HA2 . 27017 1 280 . 1 1 23 23 GLY HA3 H 1 3.920 0.017 . 2 . . . . 23 GLY HA3 . 27017 1 281 . 1 1 23 23 GLY C C 13 175.228 0.000 . 1 . . . . 23 GLY C . 27017 1 282 . 1 1 23 23 GLY CA C 13 47.282 0.033 . 1 . . . . 23 GLY CA . 27017 1 283 . 1 1 23 23 GLY N N 15 109.384 0.056 . 1 . . . . 23 GLY N . 27017 1 284 . 1 1 24 24 ASP H H 1 8.484 0.004 . 1 . . . . 24 ASP H . 27017 1 285 . 1 1 24 24 ASP HA H 1 4.528 0.010 . 1 . . . . 24 ASP HA . 27017 1 286 . 1 1 24 24 ASP HB2 H 1 2.475 0.013 . 2 . . . . 24 ASP HB2 . 27017 1 287 . 1 1 24 24 ASP HB3 H 1 3.070 0.007 . 2 . . . . 24 ASP HB3 . 27017 1 288 . 1 1 24 24 ASP C C 13 177.345 0.006 . 1 . . . . 24 ASP C . 27017 1 289 . 1 1 24 24 ASP CA C 13 53.722 0.028 . 1 . . . . 24 ASP CA . 27017 1 290 . 1 1 24 24 ASP CB C 13 40.457 0.039 . 1 . . . . 24 ASP CB . 27017 1 291 . 1 1 24 24 ASP N N 15 121.104 0.027 . 1 . . . . 24 ASP N . 27017 1 292 . 1 1 25 25 GLY H H 1 10.525 0.003 . 1 . . . . 25 GLY H . 27017 1 293 . 1 1 25 25 GLY HA2 H 1 3.757 0.004 . 2 . . . . 25 GLY HA2 . 27017 1 294 . 1 1 25 25 GLY HA3 H 1 4.431 0.007 . 2 . . . . 25 GLY HA3 . 27017 1 295 . 1 1 25 25 GLY C C 13 173.832 0.000 . 1 . . . . 25 GLY C . 27017 1 296 . 1 1 25 25 GLY CA C 13 45.335 0.079 . 1 . . . . 25 GLY CA . 27017 1 297 . 1 1 25 25 GLY N N 15 112.823 0.022 . 1 . . . . 25 GLY N . 27017 1 298 . 1 1 26 26 THR H H 1 8.212 0.003 . 1 . . . . 26 THR H . 27017 1 299 . 1 1 26 26 THR HA H 1 5.436 0.030 . 1 . . . . 26 THR HA . 27017 1 300 . 1 1 26 26 THR HB H 1 3.867 0.004 . 1 . . . . 26 THR HB . 27017 1 301 . 1 1 26 26 THR HG21 H 1 1.069 0.003 . 1 . . . . 26 THR HG21 . 27017 1 302 . 1 1 26 26 THR HG22 H 1 1.069 0.003 . 1 . . . . 26 THR HG22 . 27017 1 303 . 1 1 26 26 THR HG23 H 1 1.069 0.003 . 1 . . . . 26 THR HG23 . 27017 1 304 . 1 1 26 26 THR C C 13 173.266 0.000 . 1 . . . . 26 THR C . 27017 1 305 . 1 1 26 26 THR CA C 13 59.612 0.053 . 1 . . . . 26 THR CA . 27017 1 306 . 1 1 26 26 THR CB C 13 72.868 0.112 . 1 . . . . 26 THR CB . 27017 1 307 . 1 1 26 26 THR CG2 C 13 22.064 0.063 . 1 . . . . 26 THR CG2 . 27017 1 308 . 1 1 26 26 THR N N 15 112.109 0.040 . 1 . . . . 26 THR N . 27017 1 309 . 1 1 27 27 ILE H H 1 9.895 0.005 . 1 . . . . 27 ILE H . 27017 1 310 . 1 1 27 27 ILE HA H 1 4.761 0.011 . 1 . . . . 27 ILE HA . 27017 1 311 . 1 1 27 27 ILE HB H 1 1.783 0.007 . 1 . . . . 27 ILE HB . 27017 1 312 . 1 1 27 27 ILE HG12 H 1 1.355 0.009 . 1 . . . . 27 ILE HG12 . 27017 1 313 . 1 1 27 27 ILE HG21 H 1 0.911 0.010 . 1 . . . . 27 ILE HG21 . 27017 1 314 . 1 1 27 27 ILE HG22 H 1 0.911 0.010 . 1 . . . . 27 ILE HG22 . 27017 1 315 . 1 1 27 27 ILE HG23 H 1 0.911 0.010 . 1 . . . . 27 ILE HG23 . 27017 1 316 . 1 1 27 27 ILE HD11 H 1 0.303 0.004 . 1 . . . . 27 ILE HD11 . 27017 1 317 . 1 1 27 27 ILE HD12 H 1 0.303 0.004 . 1 . . . . 27 ILE HD12 . 27017 1 318 . 1 1 27 27 ILE HD13 H 1 0.303 0.004 . 1 . . . . 27 ILE HD13 . 27017 1 319 . 1 1 27 27 ILE C C 13 176.029 0.034 . 1 . . . . 27 ILE C . 27017 1 320 . 1 1 27 27 ILE CA C 13 61.110 0.062 . 1 . . . . 27 ILE CA . 27017 1 321 . 1 1 27 27 ILE CB C 13 39.809 0.071 . 1 . . . . 27 ILE CB . 27017 1 322 . 1 1 27 27 ILE CG1 C 13 26.257 0.064 . 1 . . . . 27 ILE CG1 . 27017 1 323 . 1 1 27 27 ILE CG2 C 13 17.400 0.101 . 1 . . . . 27 ILE CG2 . 27017 1 324 . 1 1 27 27 ILE CD1 C 13 14.719 0.109 . 1 . . . . 27 ILE CD1 . 27017 1 325 . 1 1 27 27 ILE N N 15 126.735 0.036 . 1 . . . . 27 ILE N . 27017 1 326 . 1 1 28 28 THR H H 1 8.415 0.005 . 1 . . . . 28 THR H . 27017 1 327 . 1 1 28 28 THR HA H 1 4.907 0.005 . 1 . . . . 28 THR HA . 27017 1 328 . 1 1 28 28 THR HB H 1 4.831 0.008 . 1 . . . . 28 THR HB . 27017 1 329 . 1 1 28 28 THR HG21 H 1 1.297 0.003 . 1 . . . . 28 THR HG21 . 27017 1 330 . 1 1 28 28 THR HG22 H 1 1.297 0.003 . 1 . . . . 28 THR HG22 . 27017 1 331 . 1 1 28 28 THR HG23 H 1 1.297 0.003 . 1 . . . . 28 THR HG23 . 27017 1 332 . 1 1 28 28 THR C C 13 176.771 0.026 . 1 . . . . 28 THR C . 27017 1 333 . 1 1 28 28 THR CA C 13 59.471 0.033 . 1 . . . . 28 THR CA . 27017 1 334 . 1 1 28 28 THR CB C 13 72.530 0.031 . 1 . . . . 28 THR CB . 27017 1 335 . 1 1 28 28 THR CG2 C 13 21.674 0.029 . 1 . . . . 28 THR CG2 . 27017 1 336 . 1 1 28 28 THR N N 15 116.405 0.043 . 1 . . . . 28 THR N . 27017 1 337 . 1 1 29 29 THR H H 1 9.207 0.003 . 1 . . . . 29 THR H . 27017 1 338 . 1 1 29 29 THR HA H 1 3.785 0.003 . 1 . . . . 29 THR HA . 27017 1 339 . 1 1 29 29 THR HB H 1 4.234 0.006 . 1 . . . . 29 THR HB . 27017 1 340 . 1 1 29 29 THR HG21 H 1 1.312 0.001 . 1 . . . . 29 THR HG21 . 27017 1 341 . 1 1 29 29 THR HG22 H 1 1.312 0.001 . 1 . . . . 29 THR HG22 . 27017 1 342 . 1 1 29 29 THR HG23 H 1 1.312 0.001 . 1 . . . . 29 THR HG23 . 27017 1 343 . 1 1 29 29 THR C C 13 177.359 0.046 . 1 . . . . 29 THR C . 27017 1 344 . 1 1 29 29 THR CA C 13 66.213 0.078 . 1 . . . . 29 THR CA . 27017 1 345 . 1 1 29 29 THR CB C 13 67.725 0.108 . 1 . . . . 29 THR CB . 27017 1 346 . 1 1 29 29 THR CG2 C 13 23.410 0.078 . 1 . . . . 29 THR CG2 . 27017 1 347 . 1 1 29 29 THR N N 15 112.315 0.018 . 1 . . . . 29 THR N . 27017 1 348 . 1 1 30 30 LYS H H 1 7.570 0.005 . 1 . . . . 30 LYS H . 27017 1 349 . 1 1 30 30 LYS HA H 1 4.143 0.005 . 1 . . . . 30 LYS HA . 27017 1 350 . 1 1 30 30 LYS HB2 H 1 1.826 0.017 . 2 . . . . 30 LYS HB2 . 27017 1 351 . 1 1 30 30 LYS HB3 H 1 1.875 0.015 . 2 . . . . 30 LYS HB3 . 27017 1 352 . 1 1 30 30 LYS HG2 H 1 1.421 0.003 . 2 . . . . 30 LYS HG2 . 27017 1 353 . 1 1 30 30 LYS HG3 H 1 1.509 0.010 . 2 . . . . 30 LYS HG3 . 27017 1 354 . 1 1 30 30 LYS HD2 H 1 1.690 0.006 . 2 . . . . 30 LYS HD2 . 27017 1 355 . 1 1 30 30 LYS HD3 H 1 1.691 0.005 . 2 . . . . 30 LYS HD3 . 27017 1 356 . 1 1 30 30 LYS HE2 H 1 2.993 0.004 . 1 . . . . 30 LYS HE2 . 27017 1 357 . 1 1 30 30 LYS HE3 H 1 2.993 0.004 . 1 . . . . 30 LYS HE3 . 27017 1 358 . 1 1 30 30 LYS C C 13 179.921 0.023 . 1 . . . . 30 LYS C . 27017 1 359 . 1 1 30 30 LYS CA C 13 59.202 0.060 . 1 . . . . 30 LYS CA . 27017 1 360 . 1 1 30 30 LYS CB C 13 32.517 0.085 . 1 . . . . 30 LYS CB . 27017 1 361 . 1 1 30 30 LYS CG C 13 24.863 0.054 . 1 . . . . 30 LYS CG . 27017 1 362 . 1 1 30 30 LYS CD C 13 29.059 0.089 . 1 . . . . 30 LYS CD . 27017 1 363 . 1 1 30 30 LYS CE C 13 41.905 0.052 . 1 . . . . 30 LYS CE . 27017 1 364 . 1 1 30 30 LYS N N 15 121.213 0.015 . 1 . . . . 30 LYS N . 27017 1 365 . 1 1 31 31 GLU H H 1 7.702 0.003 . 1 . . . . 31 GLU H . 27017 1 366 . 1 1 31 31 GLU HA H 1 4.014 0.009 . 1 . . . . 31 GLU HA . 27017 1 367 . 1 1 31 31 GLU HB2 H 1 2.085 0.005 . 2 . . . . 31 GLU HB2 . 27017 1 368 . 1 1 31 31 GLU HB3 H 1 2.086 0.005 . 2 . . . . 31 GLU HB3 . 27017 1 369 . 1 1 31 31 GLU HG2 H 1 2.316 0.007 . 2 . . . . 31 GLU HG2 . 27017 1 370 . 1 1 31 31 GLU HG3 H 1 2.489 0.008 . 2 . . . . 31 GLU HG3 . 27017 1 371 . 1 1 31 31 GLU C C 13 178.976 0.045 . 1 . . . . 31 GLU C . 27017 1 372 . 1 1 31 31 GLU CA C 13 59.570 0.070 . 1 . . . . 31 GLU CA . 27017 1 373 . 1 1 31 31 GLU CB C 13 29.497 0.040 . 1 . . . . 31 GLU CB . 27017 1 374 . 1 1 31 31 GLU CG C 13 38.413 0.122 . 1 . . . . 31 GLU CG . 27017 1 375 . 1 1 31 31 GLU N N 15 122.103 0.013 . 1 . . . . 31 GLU N . 27017 1 376 . 1 1 32 32 LEU H H 1 8.665 0.012 . 1 . . . . 32 LEU H . 27017 1 377 . 1 1 32 32 LEU HA H 1 4.176 0.012 . 1 . . . . 32 LEU HA . 27017 1 378 . 1 1 32 32 LEU HB2 H 1 1.424 0.005 . 2 . . . . 32 LEU HB2 . 27017 1 379 . 1 1 32 32 LEU HB3 H 1 1.927 0.011 . 2 . . . . 32 LEU HB3 . 27017 1 380 . 1 1 32 32 LEU HD11 H 1 0.932 0.007 . 2 . . . . 32 LEU HD11 . 27017 1 381 . 1 1 32 32 LEU HD12 H 1 0.932 0.007 . 2 . . . . 32 LEU HD12 . 27017 1 382 . 1 1 32 32 LEU HD13 H 1 0.932 0.007 . 2 . . . . 32 LEU HD13 . 27017 1 383 . 1 1 32 32 LEU HD21 H 1 0.974 0.006 . 2 . . . . 32 LEU HD21 . 27017 1 384 . 1 1 32 32 LEU HD22 H 1 0.974 0.006 . 2 . . . . 32 LEU HD22 . 27017 1 385 . 1 1 32 32 LEU HD23 H 1 0.974 0.006 . 2 . . . . 32 LEU HD23 . 27017 1 386 . 1 1 32 32 LEU C C 13 178.993 0.031 . 1 . . . . 32 LEU C . 27017 1 387 . 1 1 32 32 LEU CA C 13 58.280 0.054 . 1 . . . . 32 LEU CA . 27017 1 388 . 1 1 32 32 LEU CB C 13 42.535 0.033 . 1 . . . . 32 LEU CB . 27017 1 389 . 1 1 32 32 LEU CD1 C 13 26.495 0.066 . 2 . . . . 32 LEU CD1 . 27017 1 390 . 1 1 32 32 LEU CD2 C 13 23.637 0.040 . 2 . . . . 32 LEU CD2 . 27017 1 391 . 1 1 32 32 LEU N N 15 120.033 0.017 . 1 . . . . 32 LEU N . 27017 1 392 . 1 1 33 33 GLY H H 1 8.810 0.004 . 1 . . . . 33 GLY H . 27017 1 393 . 1 1 33 33 GLY HA2 H 1 3.509 0.004 . 2 . . . . 33 GLY HA2 . 27017 1 394 . 1 1 33 33 GLY HA3 H 1 3.948 0.006 . 2 . . . . 33 GLY HA3 . 27017 1 395 . 1 1 33 33 GLY C C 13 174.803 0.000 . 1 . . . . 33 GLY C . 27017 1 396 . 1 1 33 33 GLY CA C 13 48.576 0.056 . 1 . . . . 33 GLY CA . 27017 1 397 . 1 1 33 33 GLY N N 15 105.976 0.041 . 1 . . . . 33 GLY N . 27017 1 398 . 1 1 34 34 THR H H 1 8.059 0.002 . 1 . . . . 34 THR H . 27017 1 399 . 1 1 34 34 THR HA H 1 3.948 0.005 . 1 . . . . 34 THR HA . 27017 1 400 . 1 1 34 34 THR HB H 1 4.430 0.007 . 1 . . . . 34 THR HB . 27017 1 401 . 1 1 34 34 THR HG21 H 1 1.287 0.003 . 1 . . . . 34 THR HG21 . 27017 1 402 . 1 1 34 34 THR HG22 H 1 1.287 0.003 . 1 . . . . 34 THR HG22 . 27017 1 403 . 1 1 34 34 THR HG23 H 1 1.287 0.003 . 1 . . . . 34 THR HG23 . 27017 1 404 . 1 1 34 34 THR C C 13 177.206 0.041 . 1 . . . . 34 THR C . 27017 1 405 . 1 1 34 34 THR CA C 13 67.160 0.080 . 1 . . . . 34 THR CA . 27017 1 406 . 1 1 34 34 THR CB C 13 68.672 0.127 . 1 . . . . 34 THR CB . 27017 1 407 . 1 1 34 34 THR CG2 C 13 21.184 0.107 . 1 . . . . 34 THR CG2 . 27017 1 408 . 1 1 34 34 THR N N 15 118.712 0.018 . 1 . . . . 34 THR N . 27017 1 409 . 1 1 35 35 VAL H H 1 7.686 0.004 . 1 . . . . 35 VAL H . 27017 1 410 . 1 1 35 35 VAL HA H 1 3.676 0.003 . 1 . . . . 35 VAL HA . 27017 1 411 . 1 1 35 35 VAL HB H 1 2.094 0.007 . 1 . . . . 35 VAL HB . 27017 1 412 . 1 1 35 35 VAL HG11 H 1 0.586 0.001 . 2 . . . . 35 VAL HG11 . 27017 1 413 . 1 1 35 35 VAL HG12 H 1 0.586 0.001 . 2 . . . . 35 VAL HG12 . 27017 1 414 . 1 1 35 35 VAL HG13 H 1 0.586 0.001 . 2 . . . . 35 VAL HG13 . 27017 1 415 . 1 1 35 35 VAL HG21 H 1 0.919 0.004 . 2 . . . . 35 VAL HG21 . 27017 1 416 . 1 1 35 35 VAL HG22 H 1 0.919 0.004 . 2 . . . . 35 VAL HG22 . 27017 1 417 . 1 1 35 35 VAL HG23 H 1 0.919 0.004 . 2 . . . . 35 VAL HG23 . 27017 1 418 . 1 1 35 35 VAL C C 13 179.118 0.011 . 1 . . . . 35 VAL C . 27017 1 419 . 1 1 35 35 VAL CA C 13 66.492 0.095 . 1 . . . . 35 VAL CA . 27017 1 420 . 1 1 35 35 VAL CB C 13 31.997 0.083 . 1 . . . . 35 VAL CB . 27017 1 421 . 1 1 35 35 VAL CG1 C 13 20.356 0.075 . 2 . . . . 35 VAL CG1 . 27017 1 422 . 1 1 35 35 VAL CG2 C 13 23.337 0.046 . 2 . . . . 35 VAL CG2 . 27017 1 423 . 1 1 35 35 VAL N N 15 121.545 0.065 . 1 . . . . 35 VAL N . 27017 1 424 . 1 1 36 36 MET H H 1 8.458 0.006 . 1 . . . . 36 MET H . 27017 1 425 . 1 1 36 36 MET HA H 1 4.133 0.017 . 1 . . . . 36 MET HA . 27017 1 426 . 1 1 36 36 MET HB2 H 1 1.847 0.006 . 1 . . . . 36 MET HB2 . 27017 1 427 . 1 1 36 36 MET HG2 H 1 2.414 0.003 . 2 . . . . 36 MET HG2 . 27017 1 428 . 1 1 36 36 MET HG3 H 1 2.523 0.006 . 2 . . . . 36 MET HG3 . 27017 1 429 . 1 1 36 36 MET HE1 H 1 1.728 0.000 . 1 . . . . 36 MET HE1 . 27017 1 430 . 1 1 36 36 MET HE2 H 1 1.728 0.000 . 1 . . . . 36 MET HE2 . 27017 1 431 . 1 1 36 36 MET HE3 H 1 1.728 0.000 . 1 . . . . 36 MET HE3 . 27017 1 432 . 1 1 36 36 MET C C 13 179.247 0.000 . 1 . . . . 36 MET C . 27017 1 433 . 1 1 36 36 MET CA C 13 58.216 0.044 . 1 . . . . 36 MET CA . 27017 1 434 . 1 1 36 36 MET CB C 13 30.285 0.026 . 1 . . . . 36 MET CB . 27017 1 435 . 1 1 36 36 MET CG C 13 31.912 0.108 . 1 . . . . 36 MET CG . 27017 1 436 . 1 1 36 36 MET CE C 13 16.677 0.000 . 1 . . . . 36 MET CE . 27017 1 437 . 1 1 36 36 MET N N 15 117.205 0.051 . 1 . . . . 36 MET N . 27017 1 438 . 1 1 37 37 ARG H H 1 8.771 0.005 . 1 . . . . 37 ARG H . 27017 1 439 . 1 1 37 37 ARG HA H 1 4.810 0.008 . 1 . . . . 37 ARG HA . 27017 1 440 . 1 1 37 37 ARG HB2 H 1 1.872 0.011 . 2 . . . . 37 ARG HB2 . 27017 1 441 . 1 1 37 37 ARG HB3 H 1 1.915 0.003 . 2 . . . . 37 ARG HB3 . 27017 1 442 . 1 1 37 37 ARG HG2 H 1 1.840 0.031 . 1 . . . . 37 ARG HG2 . 27017 1 443 . 1 1 37 37 ARG HD2 H 1 3.233 0.002 . 1 . . . . 37 ARG HD2 . 27017 1 444 . 1 1 37 37 ARG HE H 1 7.431 0.002 . 1 . . . . 37 ARG HE . 27017 1 445 . 1 1 37 37 ARG C C 13 181.676 0.025 . 1 . . . . 37 ARG C . 27017 1 446 . 1 1 37 37 ARG CA C 13 59.155 0.065 . 1 . . . . 37 ARG CA . 27017 1 447 . 1 1 37 37 ARG CB C 13 30.134 0.161 . 1 . . . . 37 ARG CB . 27017 1 448 . 1 1 37 37 ARG CG C 13 29.640 0.075 . 1 . . . . 37 ARG CG . 27017 1 449 . 1 1 37 37 ARG CD C 13 43.425 0.115 . 1 . . . . 37 ARG CD . 27017 1 450 . 1 1 37 37 ARG N N 15 118.753 0.052 . 1 . . . . 37 ARG N . 27017 1 451 . 1 1 37 37 ARG NE N 15 85.303 0.011 . 1 . . . . 37 ARG NE . 27017 1 452 . 1 1 38 38 SER H H 1 7.949 0.003 . 1 . . . . 38 SER H . 27017 1 453 . 1 1 38 38 SER HA H 1 4.382 0.010 . 1 . . . . 38 SER HA . 27017 1 454 . 1 1 38 38 SER HB2 H 1 4.056 0.007 . 2 . . . . 38 SER HB2 . 27017 1 455 . 1 1 38 38 SER HB3 H 1 4.054 0.007 . 2 . . . . 38 SER HB3 . 27017 1 456 . 1 1 38 38 SER C C 13 174.827 0.044 . 1 . . . . 38 SER C . 27017 1 457 . 1 1 38 38 SER CA C 13 61.747 0.022 . 1 . . . . 38 SER CA . 27017 1 458 . 1 1 38 38 SER CB C 13 62.515 0.050 . 1 . . . . 38 SER CB . 27017 1 459 . 1 1 38 38 SER N N 15 119.151 0.048 . 1 . . . . 38 SER N . 27017 1 460 . 1 1 39 39 LEU H H 1 7.246 0.004 . 1 . . . . 39 LEU H . 27017 1 461 . 1 1 39 39 LEU HA H 1 4.437 0.006 . 1 . . . . 39 LEU HA . 27017 1 462 . 1 1 39 39 LEU HB2 H 1 1.807 0.013 . 2 . . . . 39 LEU HB2 . 27017 1 463 . 1 1 39 39 LEU HB3 H 1 1.855 0.018 . 2 . . . . 39 LEU HB3 . 27017 1 464 . 1 1 39 39 LEU HG H 1 1.909 0.013 . 1 . . . . 39 LEU HG . 27017 1 465 . 1 1 39 39 LEU HD11 H 1 0.847 0.003 . 2 . . . . 39 LEU HD11 . 27017 1 466 . 1 1 39 39 LEU HD12 H 1 0.847 0.003 . 2 . . . . 39 LEU HD12 . 27017 1 467 . 1 1 39 39 LEU HD13 H 1 0.847 0.003 . 2 . . . . 39 LEU HD13 . 27017 1 468 . 1 1 39 39 LEU HD21 H 1 0.748 0.004 . 2 . . . . 39 LEU HD21 . 27017 1 469 . 1 1 39 39 LEU HD22 H 1 0.748 0.004 . 2 . . . . 39 LEU HD22 . 27017 1 470 . 1 1 39 39 LEU HD23 H 1 0.748 0.004 . 2 . . . . 39 LEU HD23 . 27017 1 471 . 1 1 39 39 LEU C C 13 177.159 0.036 . 1 . . . . 39 LEU C . 27017 1 472 . 1 1 39 39 LEU CA C 13 54.234 0.054 . 1 . . . . 39 LEU CA . 27017 1 473 . 1 1 39 39 LEU CB C 13 41.429 0.056 . 1 . . . . 39 LEU CB . 27017 1 474 . 1 1 39 39 LEU CG C 13 26.335 0.190 . 1 . . . . 39 LEU CG . 27017 1 475 . 1 1 39 39 LEU CD1 C 13 26.515 0.042 . 2 . . . . 39 LEU CD1 . 27017 1 476 . 1 1 39 39 LEU CD2 C 13 22.447 0.094 . 2 . . . . 39 LEU CD2 . 27017 1 477 . 1 1 39 39 LEU N N 15 119.935 0.050 . 1 . . . . 39 LEU N . 27017 1 478 . 1 1 40 40 GLY H H 1 7.846 0.004 . 1 . . . . 40 GLY H . 27017 1 479 . 1 1 40 40 GLY HA2 H 1 3.810 0.004 . 2 . . . . 40 GLY HA2 . 27017 1 480 . 1 1 40 40 GLY HA3 H 1 4.282 0.004 . 2 . . . . 40 GLY HA3 . 27017 1 481 . 1 1 40 40 GLY C C 13 174.187 0.000 . 1 . . . . 40 GLY C . 27017 1 482 . 1 1 40 40 GLY CA C 13 45.496 0.035 . 1 . . . . 40 GLY CA . 27017 1 483 . 1 1 40 40 GLY N N 15 106.701 0.014 . 1 . . . . 40 GLY N . 27017 1 484 . 1 1 41 41 GLN H H 1 7.833 0.002 . 1 . . . . 41 GLN H . 27017 1 485 . 1 1 41 41 GLN HA H 1 4.573 0.007 . 1 . . . . 41 GLN HA . 27017 1 486 . 1 1 41 41 GLN HB2 H 1 1.552 0.008 . 2 . . . . 41 GLN HB2 . 27017 1 487 . 1 1 41 41 GLN HB3 H 1 1.891 0.010 . 2 . . . . 41 GLN HB3 . 27017 1 488 . 1 1 41 41 GLN HG2 H 1 2.102 0.005 . 2 . . . . 41 GLN HG2 . 27017 1 489 . 1 1 41 41 GLN HG3 H 1 2.224 0.003 . 2 . . . . 41 GLN HG3 . 27017 1 490 . 1 1 41 41 GLN HE21 H 1 6.527 0.004 . 1 . . . . 41 GLN HE21 . 27017 1 491 . 1 1 41 41 GLN HE22 H 1 7.353 0.003 . 1 . . . . 41 GLN HE22 . 27017 1 492 . 1 1 41 41 GLN C C 13 174.422 0.019 . 1 . . . . 41 GLN C . 27017 1 493 . 1 1 41 41 GLN CA C 13 54.354 0.059 . 1 . . . . 41 GLN CA . 27017 1 494 . 1 1 41 41 GLN CB C 13 30.226 0.077 . 1 . . . . 41 GLN CB . 27017 1 495 . 1 1 41 41 GLN CG C 13 33.407 0.030 . 1 . . . . 41 GLN CG . 27017 1 496 . 1 1 41 41 GLN CD C 13 177.779 0.011 . 1 . . . . 41 GLN CD . 27017 1 497 . 1 1 41 41 GLN N N 15 118.518 0.011 . 1 . . . . 41 GLN N . 27017 1 498 . 1 1 41 41 GLN NE2 N 15 110.689 0.081 . 1 . . . . 41 GLN NE2 . 27017 1 499 . 1 1 42 42 ASN H H 1 8.600 0.006 . 1 . . . . 42 ASN H . 27017 1 500 . 1 1 42 42 ASN HA H 1 5.250 0.002 . 1 . . . . 42 ASN HA . 27017 1 501 . 1 1 42 42 ASN HB2 H 1 2.636 0.004 . 2 . . . . 42 ASN HB2 . 27017 1 502 . 1 1 42 42 ASN HB3 H 1 2.792 0.004 . 2 . . . . 42 ASN HB3 . 27017 1 503 . 1 1 42 42 ASN HD21 H 1 7.523 0.002 . 1 . . . . 42 ASN HD21 . 27017 1 504 . 1 1 42 42 ASN HD22 H 1 6.816 0.004 . 1 . . . . 42 ASN HD22 . 27017 1 505 . 1 1 42 42 ASN C C 13 172.323 0.000 . 1 . . . . 42 ASN C . 27017 1 506 . 1 1 42 42 ASN CA C 13 51.190 0.078 . 1 . . . . 42 ASN CA . 27017 1 507 . 1 1 42 42 ASN CB C 13 39.133 0.076 . 1 . . . . 42 ASN CB . 27017 1 508 . 1 1 42 42 ASN CG C 13 178.303 0.005 . 1 . . . . 42 ASN CG . 27017 1 509 . 1 1 42 42 ASN N N 15 116.528 0.028 . 1 . . . . 42 ASN N . 27017 1 510 . 1 1 42 42 ASN ND2 N 15 112.090 0.080 . 1 . . . . 42 ASN ND2 . 27017 1 511 . 1 1 43 43 PRO HA H 1 4.874 0.004 . 1 . . . . 43 PRO HA . 27017 1 512 . 1 1 43 43 PRO HB2 H 1 1.848 0.015 . 2 . . . . 43 PRO HB2 . 27017 1 513 . 1 1 43 43 PRO HB3 H 1 1.710 0.012 . 2 . . . . 43 PRO HB3 . 27017 1 514 . 1 1 43 43 PRO HG2 H 1 1.325 0.011 . 2 . . . . 43 PRO HG2 . 27017 1 515 . 1 1 43 43 PRO HG3 H 1 1.713 0.009 . 2 . . . . 43 PRO HG3 . 27017 1 516 . 1 1 43 43 PRO HD2 H 1 2.928 0.011 . 2 . . . . 43 PRO HD2 . 27017 1 517 . 1 1 43 43 PRO HD3 H 1 3.463 0.010 . 2 . . . . 43 PRO HD3 . 27017 1 518 . 1 1 43 43 PRO C C 13 177.566 0.007 . 1 . . . . 43 PRO C . 27017 1 519 . 1 1 43 43 PRO CA C 13 62.255 0.079 . 1 . . . . 43 PRO CA . 27017 1 520 . 1 1 43 43 PRO CB C 13 31.833 0.083 . 1 . . . . 43 PRO CB . 27017 1 521 . 1 1 43 43 PRO CG C 13 27.426 0.077 . 1 . . . . 43 PRO CG . 27017 1 522 . 1 1 43 43 PRO CD C 13 49.602 0.101 . 1 . . . . 43 PRO CD . 27017 1 523 . 1 1 44 44 THR H H 1 9.496 0.005 . 1 . . . . 44 THR H . 27017 1 524 . 1 1 44 44 THR HA H 1 4.457 0.013 . 1 . . . . 44 THR HA . 27017 1 525 . 1 1 44 44 THR HB H 1 4.757 0.008 . 1 . . . . 44 THR HB . 27017 1 526 . 1 1 44 44 THR HG21 H 1 1.349 0.013 . 1 . . . . 44 THR HG21 . 27017 1 527 . 1 1 44 44 THR HG22 H 1 1.349 0.013 . 1 . . . . 44 THR HG22 . 27017 1 528 . 1 1 44 44 THR HG23 H 1 1.349 0.013 . 1 . . . . 44 THR HG23 . 27017 1 529 . 1 1 44 44 THR C C 13 175.193 0.115 . 1 . . . . 44 THR C . 27017 1 530 . 1 1 44 44 THR CA C 13 60.527 0.052 . 1 . . . . 44 THR CA . 27017 1 531 . 1 1 44 44 THR CB C 13 70.995 0.098 . 1 . . . . 44 THR CB . 27017 1 532 . 1 1 44 44 THR CG2 C 13 21.609 0.010 . 1 . . . . 44 THR CG2 . 27017 1 533 . 1 1 44 44 THR N N 15 114.734 0.047 . 1 . . . . 44 THR N . 27017 1 534 . 1 1 45 45 GLU H H 1 8.776 0.002 . 1 . . . . 45 GLU H . 27017 1 535 . 1 1 45 45 GLU HA H 1 4.028 0.003 . 1 . . . . 45 GLU HA . 27017 1 536 . 1 1 45 45 GLU HB2 H 1 2.074 0.006 . 1 . . . . 45 GLU HB2 . 27017 1 537 . 1 1 45 45 GLU HG2 H 1 2.375 0.004 . 1 . . . . 45 GLU HG2 . 27017 1 538 . 1 1 45 45 GLU C C 13 178.922 0.011 . 1 . . . . 45 GLU C . 27017 1 539 . 1 1 45 45 GLU CA C 13 60.019 0.053 . 1 . . . . 45 GLU CA . 27017 1 540 . 1 1 45 45 GLU CB C 13 28.863 0.062 . 1 . . . . 45 GLU CB . 27017 1 541 . 1 1 45 45 GLU CG C 13 36.051 0.041 . 1 . . . . 45 GLU CG . 27017 1 542 . 1 1 45 45 GLU N N 15 120.223 0.027 . 1 . . . . 45 GLU N . 27017 1 543 . 1 1 46 46 ALA H H 1 8.250 0.003 . 1 . . . . 46 ALA H . 27017 1 544 . 1 1 46 46 ALA HA H 1 4.131 0.004 . 1 . . . . 46 ALA HA . 27017 1 545 . 1 1 46 46 ALA HB1 H 1 1.433 0.003 . 1 . . . . 46 ALA HB1 . 27017 1 546 . 1 1 46 46 ALA HB2 H 1 1.433 0.003 . 1 . . . . 46 ALA HB2 . 27017 1 547 . 1 1 46 46 ALA HB3 H 1 1.433 0.003 . 1 . . . . 46 ALA HB3 . 27017 1 548 . 1 1 46 46 ALA C C 13 180.387 0.018 . 1 . . . . 46 ALA C . 27017 1 549 . 1 1 46 46 ALA CA C 13 55.048 0.070 . 1 . . . . 46 ALA CA . 27017 1 550 . 1 1 46 46 ALA CB C 13 18.282 0.086 . 1 . . . . 46 ALA CB . 27017 1 551 . 1 1 46 46 ALA N N 15 121.039 0.046 . 1 . . . . 46 ALA N . 27017 1 552 . 1 1 47 47 GLU H H 1 7.735 0.003 . 1 . . . . 47 GLU H . 27017 1 553 . 1 1 47 47 GLU HA H 1 4.115 0.003 . 1 . . . . 47 GLU HA . 27017 1 554 . 1 1 47 47 GLU HB2 H 1 2.196 0.004 . 1 . . . . 47 GLU HB2 . 27017 1 555 . 1 1 47 47 GLU HG2 H 1 2.386 0.003 . 1 . . . . 47 GLU HG2 . 27017 1 556 . 1 1 47 47 GLU C C 13 179.392 0.035 . 1 . . . . 47 GLU C . 27017 1 557 . 1 1 47 47 GLU CA C 13 59.032 0.066 . 1 . . . . 47 GLU CA . 27017 1 558 . 1 1 47 47 GLU CB C 13 29.537 0.122 . 1 . . . . 47 GLU CB . 27017 1 559 . 1 1 47 47 GLU CG C 13 37.400 0.000 . 1 . . . . 47 GLU CG . 27017 1 560 . 1 1 47 47 GLU N N 15 118.725 0.018 . 1 . . . . 47 GLU N . 27017 1 561 . 1 1 48 48 LEU H H 1 8.341 0.003 . 1 . . . . 48 LEU H . 27017 1 562 . 1 1 48 48 LEU HA H 1 4.114 0.007 . 1 . . . . 48 LEU HA . 27017 1 563 . 1 1 48 48 LEU HB2 H 1 1.179 0.009 . 2 . . . . 48 LEU HB2 . 27017 1 564 . 1 1 48 48 LEU HB3 H 1 2.143 0.010 . 2 . . . . 48 LEU HB3 . 27017 1 565 . 1 1 48 48 LEU HG H 1 1.734 0.005 . 1 . . . . 48 LEU HG . 27017 1 566 . 1 1 48 48 LEU HD11 H 1 0.790 0.004 . 2 . . . . 48 LEU HD11 . 27017 1 567 . 1 1 48 48 LEU HD12 H 1 0.790 0.004 . 2 . . . . 48 LEU HD12 . 27017 1 568 . 1 1 48 48 LEU HD13 H 1 0.790 0.004 . 2 . . . . 48 LEU HD13 . 27017 1 569 . 1 1 48 48 LEU HD21 H 1 0.863 0.005 . 2 . . . . 48 LEU HD21 . 27017 1 570 . 1 1 48 48 LEU HD22 H 1 0.863 0.005 . 2 . . . . 48 LEU HD22 . 27017 1 571 . 1 1 48 48 LEU HD23 H 1 0.863 0.005 . 2 . . . . 48 LEU HD23 . 27017 1 572 . 1 1 48 48 LEU C C 13 178.931 0.021 . 1 . . . . 48 LEU C . 27017 1 573 . 1 1 48 48 LEU CA C 13 58.105 0.028 . 1 . . . . 48 LEU CA . 27017 1 574 . 1 1 48 48 LEU CB C 13 42.682 0.067 . 1 . . . . 48 LEU CB . 27017 1 575 . 1 1 48 48 LEU CD1 C 13 23.308 0.082 . 2 . . . . 48 LEU CD1 . 27017 1 576 . 1 1 48 48 LEU CD2 C 13 26.095 0.070 . 2 . . . . 48 LEU CD2 . 27017 1 577 . 1 1 48 48 LEU N N 15 119.180 0.020 . 1 . . . . 48 LEU N . 27017 1 578 . 1 1 49 49 GLN H H 1 8.009 0.004 . 1 . . . . 49 GLN H . 27017 1 579 . 1 1 49 49 GLN HA H 1 3.844 0.003 . 1 . . . . 49 GLN HA . 27017 1 580 . 1 1 49 49 GLN HB2 H 1 2.225 0.003 . 1 . . . . 49 GLN HB2 . 27017 1 581 . 1 1 49 49 GLN HG2 H 1 2.451 0.005 . 2 . . . . 49 GLN HG2 . 27017 1 582 . 1 1 49 49 GLN HG3 H 1 2.465 0.012 . 2 . . . . 49 GLN HG3 . 27017 1 583 . 1 1 49 49 GLN HE21 H 1 7.510 0.002 . 1 . . . . 49 GLN HE21 . 27017 1 584 . 1 1 49 49 GLN HE22 H 1 6.838 0.002 . 1 . . . . 49 GLN HE22 . 27017 1 585 . 1 1 49 49 GLN C C 13 178.400 0.011 . 1 . . . . 49 GLN C . 27017 1 586 . 1 1 49 49 GLN CA C 13 58.630 0.075 . 1 . . . . 49 GLN CA . 27017 1 587 . 1 1 49 49 GLN CB C 13 28.332 0.037 . 1 . . . . 49 GLN CB . 27017 1 588 . 1 1 49 49 GLN CG C 13 34.230 0.067 . 1 . . . . 49 GLN CG . 27017 1 589 . 1 1 49 49 GLN CD C 13 180.213 0.012 . 1 . . . . 49 GLN CD . 27017 1 590 . 1 1 49 49 GLN N N 15 118.104 0.020 . 1 . . . . 49 GLN N . 27017 1 591 . 1 1 49 49 GLN NE2 N 15 112.926 0.063 . 1 . . . . 49 GLN NE2 . 27017 1 592 . 1 1 50 50 ASP H H 1 8.119 0.004 . 1 . . . . 50 ASP H . 27017 1 593 . 1 1 50 50 ASP HA H 1 4.494 0.006 . 1 . . . . 50 ASP HA . 27017 1 594 . 1 1 50 50 ASP HB2 H 1 2.650 0.008 . 2 . . . . 50 ASP HB2 . 27017 1 595 . 1 1 50 50 ASP HB3 H 1 2.929 0.014 . 2 . . . . 50 ASP HB3 . 27017 1 596 . 1 1 50 50 ASP C C 13 179.269 0.032 . 1 . . . . 50 ASP C . 27017 1 597 . 1 1 50 50 ASP CA C 13 57.603 0.084 . 1 . . . . 50 ASP CA . 27017 1 598 . 1 1 50 50 ASP CB C 13 40.463 0.036 . 1 . . . . 50 ASP CB . 27017 1 599 . 1 1 50 50 ASP N N 15 121.031 0.066 . 1 . . . . 50 ASP N . 27017 1 600 . 1 1 51 51 MET H H 1 8.454 0.002 . 1 . . . . 51 MET H . 27017 1 601 . 1 1 51 51 MET HA H 1 3.809 0.009 . 1 . . . . 51 MET HA . 27017 1 602 . 1 1 51 51 MET HB2 H 1 1.990 0.003 . 2 . . . . 51 MET HB2 . 27017 1 603 . 1 1 51 51 MET HB3 H 1 2.234 0.018 . 2 . . . . 51 MET HB3 . 27017 1 604 . 1 1 51 51 MET HG2 H 1 2.289 0.009 . 2 . . . . 51 MET HG2 . 27017 1 605 . 1 1 51 51 MET HG3 H 1 2.817 0.011 . 2 . . . . 51 MET HG3 . 27017 1 606 . 1 1 51 51 MET HE1 H 1 2.047 0.000 . 1 . . . . 51 MET HE1 . 27017 1 607 . 1 1 51 51 MET HE2 H 1 2.047 0.000 . 1 . . . . 51 MET HE2 . 27017 1 608 . 1 1 51 51 MET HE3 H 1 2.047 0.000 . 1 . . . . 51 MET HE3 . 27017 1 609 . 1 1 51 51 MET C C 13 177.942 0.023 . 1 . . . . 51 MET C . 27017 1 610 . 1 1 51 51 MET CA C 13 59.935 0.062 . 1 . . . . 51 MET CA . 27017 1 611 . 1 1 51 51 MET CB C 13 34.064 0.035 . 1 . . . . 51 MET CB . 27017 1 612 . 1 1 51 51 MET CG C 13 32.555 0.068 . 1 . . . . 51 MET CG . 27017 1 613 . 1 1 51 51 MET CE C 13 17.563 0.000 . 1 . . . . 51 MET CE . 27017 1 614 . 1 1 51 51 MET N N 15 121.208 0.067 . 1 . . . . 51 MET N . 27017 1 615 . 1 1 52 52 ILE H H 1 7.882 0.006 . 1 . . . . 52 ILE H . 27017 1 616 . 1 1 52 52 ILE HA H 1 3.494 0.008 . 1 . . . . 52 ILE HA . 27017 1 617 . 1 1 52 52 ILE HB H 1 2.060 0.007 . 1 . . . . 52 ILE HB . 27017 1 618 . 1 1 52 52 ILE HG12 H 1 1.212 0.006 . 2 . . . . 52 ILE HG12 . 27017 1 619 . 1 1 52 52 ILE HG13 H 1 1.673 0.009 . 2 . . . . 52 ILE HG13 . 27017 1 620 . 1 1 52 52 ILE HG21 H 1 0.737 0.011 . 1 . . . . 52 ILE HG21 . 27017 1 621 . 1 1 52 52 ILE HG22 H 1 0.737 0.011 . 1 . . . . 52 ILE HG22 . 27017 1 622 . 1 1 52 52 ILE HG23 H 1 0.737 0.011 . 1 . . . . 52 ILE HG23 . 27017 1 623 . 1 1 52 52 ILE HD11 H 1 0.693 0.026 . 1 . . . . 52 ILE HD11 . 27017 1 624 . 1 1 52 52 ILE HD12 H 1 0.693 0.026 . 1 . . . . 52 ILE HD12 . 27017 1 625 . 1 1 52 52 ILE HD13 H 1 0.693 0.026 . 1 . . . . 52 ILE HD13 . 27017 1 626 . 1 1 52 52 ILE C C 13 178.447 0.007 . 1 . . . . 52 ILE C . 27017 1 627 . 1 1 52 52 ILE CA C 13 64.698 0.089 . 1 . . . . 52 ILE CA . 27017 1 628 . 1 1 52 52 ILE CB C 13 36.593 0.086 . 1 . . . . 52 ILE CB . 27017 1 629 . 1 1 52 52 ILE CG1 C 13 29.386 0.089 . 1 . . . . 52 ILE CG1 . 27017 1 630 . 1 1 52 52 ILE CG2 C 13 16.478 0.052 . 1 . . . . 52 ILE CG2 . 27017 1 631 . 1 1 52 52 ILE CD1 C 13 11.957 0.047 . 1 . . . . 52 ILE CD1 . 27017 1 632 . 1 1 52 52 ILE N N 15 117.544 0.051 . 1 . . . . 52 ILE N . 27017 1 633 . 1 1 53 53 ASN H H 1 8.541 0.003 . 1 . . . . 53 ASN H . 27017 1 634 . 1 1 53 53 ASN HA H 1 4.455 0.005 . 1 . . . . 53 ASN HA . 27017 1 635 . 1 1 53 53 ASN HB2 H 1 2.944 0.009 . 2 . . . . 53 ASN HB2 . 27017 1 636 . 1 1 53 53 ASN HB3 H 1 3.040 0.007 . 2 . . . . 53 ASN HB3 . 27017 1 637 . 1 1 53 53 ASN HD21 H 1 6.950 0.002 . 1 . . . . 53 ASN HD21 . 27017 1 638 . 1 1 53 53 ASN HD22 H 1 7.900 0.001 . 1 . . . . 53 ASN HD22 . 27017 1 639 . 1 1 53 53 ASN C C 13 176.672 0.025 . 1 . . . . 53 ASN C . 27017 1 640 . 1 1 53 53 ASN CA C 13 55.922 0.073 . 1 . . . . 53 ASN CA . 27017 1 641 . 1 1 53 53 ASN CB C 13 38.180 0.131 . 1 . . . . 53 ASN CB . 27017 1 642 . 1 1 53 53 ASN CG C 13 176.421 0.045 . 1 . . . . 53 ASN CG . 27017 1 643 . 1 1 53 53 ASN N N 15 117.915 0.039 . 1 . . . . 53 ASN N . 27017 1 644 . 1 1 53 53 ASN ND2 N 15 112.402 0.019 . 1 . . . . 53 ASN ND2 . 27017 1 645 . 1 1 54 54 GLU H H 1 7.447 0.003 . 1 . . . . 54 GLU H . 27017 1 646 . 1 1 54 54 GLU HA H 1 4.113 0.005 . 1 . . . . 54 GLU HA . 27017 1 647 . 1 1 54 54 GLU HB2 H 1 2.186 0.009 . 2 . . . . 54 GLU HB2 . 27017 1 648 . 1 1 54 54 GLU HB3 H 1 2.188 0.009 . 2 . . . . 54 GLU HB3 . 27017 1 649 . 1 1 54 54 GLU HG2 H 1 2.330 0.004 . 2 . . . . 54 GLU HG2 . 27017 1 650 . 1 1 54 54 GLU HG3 H 1 2.412 0.002 . 2 . . . . 54 GLU HG3 . 27017 1 651 . 1 1 54 54 GLU C C 13 176.866 0.022 . 1 . . . . 54 GLU C . 27017 1 652 . 1 1 54 54 GLU CA C 13 58.221 0.061 . 1 . . . . 54 GLU CA . 27017 1 653 . 1 1 54 54 GLU CB C 13 29.549 0.047 . 1 . . . . 54 GLU CB . 27017 1 654 . 1 1 54 54 GLU CG C 13 35.417 0.023 . 1 . . . . 54 GLU CG . 27017 1 655 . 1 1 54 54 GLU N N 15 116.988 0.051 . 1 . . . . 54 GLU N . 27017 1 656 . 1 1 55 55 VAL H H 1 7.308 0.003 . 1 . . . . 55 VAL H . 27017 1 657 . 1 1 55 55 VAL HA H 1 4.143 0.004 . 1 . . . . 55 VAL HA . 27017 1 658 . 1 1 55 55 VAL HB H 1 2.083 0.006 . 1 . . . . 55 VAL HB . 27017 1 659 . 1 1 55 55 VAL HG11 H 1 0.943 0.004 . 2 . . . . 55 VAL HG11 . 27017 1 660 . 1 1 55 55 VAL HG12 H 1 0.943 0.004 . 2 . . . . 55 VAL HG12 . 27017 1 661 . 1 1 55 55 VAL HG13 H 1 0.943 0.004 . 2 . . . . 55 VAL HG13 . 27017 1 662 . 1 1 55 55 VAL HG21 H 1 0.992 0.006 . 2 . . . . 55 VAL HG21 . 27017 1 663 . 1 1 55 55 VAL HG22 H 1 0.992 0.006 . 2 . . . . 55 VAL HG22 . 27017 1 664 . 1 1 55 55 VAL HG23 H 1 0.992 0.006 . 2 . . . . 55 VAL HG23 . 27017 1 665 . 1 1 55 55 VAL C C 13 175.532 0.001 . 1 . . . . 55 VAL C . 27017 1 666 . 1 1 55 55 VAL CA C 13 61.593 0.038 . 1 . . . . 55 VAL CA . 27017 1 667 . 1 1 55 55 VAL CB C 13 33.280 0.038 . 1 . . . . 55 VAL CB . 27017 1 668 . 1 1 55 55 VAL CG1 C 13 21.225 0.041 . 2 . . . . 55 VAL CG1 . 27017 1 669 . 1 1 55 55 VAL CG2 C 13 23.564 0.069 . 2 . . . . 55 VAL CG2 . 27017 1 670 . 1 1 55 55 VAL N N 15 114.101 0.051 . 1 . . . . 55 VAL N . 27017 1 671 . 1 1 56 56 ASP H H 1 7.983 0.003 . 1 . . . . 56 ASP H . 27017 1 672 . 1 1 56 56 ASP HA H 1 4.428 0.004 . 1 . . . . 56 ASP HA . 27017 1 673 . 1 1 56 56 ASP HB2 H 1 2.482 0.002 . 2 . . . . 56 ASP HB2 . 27017 1 674 . 1 1 56 56 ASP HB3 H 1 2.739 0.016 . 2 . . . . 56 ASP HB3 . 27017 1 675 . 1 1 56 56 ASP C C 13 175.599 0.004 . 1 . . . . 56 ASP C . 27017 1 676 . 1 1 56 56 ASP CA C 13 54.008 0.027 . 1 . . . . 56 ASP CA . 27017 1 677 . 1 1 56 56 ASP CB C 13 41.307 0.067 . 1 . . . . 56 ASP CB . 27017 1 678 . 1 1 56 56 ASP N N 15 120.664 0.039 . 1 . . . . 56 ASP N . 27017 1 679 . 1 1 57 57 ALA H H 1 8.148 0.003 . 1 . . . . 57 ALA H . 27017 1 680 . 1 1 57 57 ALA HA H 1 4.326 0.002 . 1 . . . . 57 ALA HA . 27017 1 681 . 1 1 57 57 ALA HB1 H 1 1.545 0.001 . 1 . . . . 57 ALA HB1 . 27017 1 682 . 1 1 57 57 ALA HB2 H 1 1.545 0.001 . 1 . . . . 57 ALA HB2 . 27017 1 683 . 1 1 57 57 ALA HB3 H 1 1.545 0.001 . 1 . . . . 57 ALA HB3 . 27017 1 684 . 1 1 57 57 ALA C C 13 178.617 0.022 . 1 . . . . 57 ALA C . 27017 1 685 . 1 1 57 57 ALA CA C 13 53.971 0.071 . 1 . . . . 57 ALA CA . 27017 1 686 . 1 1 57 57 ALA CB C 13 20.060 0.105 . 1 . . . . 57 ALA CB . 27017 1 687 . 1 1 57 57 ALA N N 15 130.891 0.011 . 1 . . . . 57 ALA N . 27017 1 688 . 1 1 58 58 ASP H H 1 8.261 0.004 . 1 . . . . 58 ASP H . 27017 1 689 . 1 1 58 58 ASP HA H 1 4.662 0.009 . 1 . . . . 58 ASP HA . 27017 1 690 . 1 1 58 58 ASP HB2 H 1 2.694 0.007 . 2 . . . . 58 ASP HB2 . 27017 1 691 . 1 1 58 58 ASP HB3 H 1 3.059 0.004 . 2 . . . . 58 ASP HB3 . 27017 1 692 . 1 1 58 58 ASP C C 13 177.889 0.019 . 1 . . . . 58 ASP C . 27017 1 693 . 1 1 58 58 ASP CA C 13 52.786 0.060 . 1 . . . . 58 ASP CA . 27017 1 694 . 1 1 58 58 ASP CB C 13 39.966 0.068 . 1 . . . . 58 ASP CB . 27017 1 695 . 1 1 58 58 ASP N N 15 114.621 0.013 . 1 . . . . 58 ASP N . 27017 1 696 . 1 1 59 59 GLY H H 1 7.641 0.002 . 1 . . . . 59 GLY H . 27017 1 697 . 1 1 59 59 GLY HA2 H 1 3.796 0.001 . 2 . . . . 59 GLY HA2 . 27017 1 698 . 1 1 59 59 GLY HA3 H 1 3.946 0.002 . 2 . . . . 59 GLY HA3 . 27017 1 699 . 1 1 59 59 GLY C C 13 175.053 0.000 . 1 . . . . 59 GLY C . 27017 1 700 . 1 1 59 59 GLY CA C 13 47.242 0.054 . 1 . . . . 59 GLY CA . 27017 1 701 . 1 1 59 59 GLY N N 15 108.921 0.032 . 1 . . . . 59 GLY N . 27017 1 702 . 1 1 60 60 ASN H H 1 8.195 0.001 . 1 . . . . 60 ASN H . 27017 1 703 . 1 1 60 60 ASN HA H 1 4.643 0.007 . 1 . . . . 60 ASN HA . 27017 1 704 . 1 1 60 60 ASN HB2 H 1 2.695 0.001 . 2 . . . . 60 ASN HB2 . 27017 1 705 . 1 1 60 60 ASN HB3 H 1 3.307 0.007 . 2 . . . . 60 ASN HB3 . 27017 1 706 . 1 1 60 60 ASN HD21 H 1 7.750 0.005 . 1 . . . . 60 ASN HD21 . 27017 1 707 . 1 1 60 60 ASN HD22 H 1 7.058 0.001 . 1 . . . . 60 ASN HD22 . 27017 1 708 . 1 1 60 60 ASN C C 13 176.931 0.015 . 1 . . . . 60 ASN C . 27017 1 709 . 1 1 60 60 ASN CA C 13 52.675 0.086 . 1 . . . . 60 ASN CA . 27017 1 710 . 1 1 60 60 ASN CB C 13 37.456 0.100 . 1 . . . . 60 ASN CB . 27017 1 711 . 1 1 60 60 ASN CG C 13 178.722 0.027 . 1 . . . . 60 ASN CG . 27017 1 712 . 1 1 60 60 ASN N N 15 118.959 0.065 . 1 . . . . 60 ASN N . 27017 1 713 . 1 1 60 60 ASN ND2 N 15 115.259 0.071 . 1 . . . . 60 ASN ND2 . 27017 1 714 . 1 1 61 61 GLY H H 1 10.396 0.004 . 1 . . . . 61 GLY H . 27017 1 715 . 1 1 61 61 GLY HA2 H 1 3.513 0.005 . 2 . . . . 61 GLY HA2 . 27017 1 716 . 1 1 61 61 GLY HA3 H 1 4.286 0.007 . 2 . . . . 61 GLY HA3 . 27017 1 717 . 1 1 61 61 GLY C C 13 173.308 0.000 . 1 . . . . 61 GLY C . 27017 1 718 . 1 1 61 61 GLY CA C 13 45.683 0.072 . 1 . . . . 61 GLY CA . 27017 1 719 . 1 1 61 61 GLY N N 15 112.918 0.033 . 1 . . . . 61 GLY N . 27017 1 720 . 1 1 62 62 THR H H 1 7.624 0.003 . 1 . . . . 62 THR H . 27017 1 721 . 1 1 62 62 THR HA H 1 4.817 0.005 . 1 . . . . 62 THR HA . 27017 1 722 . 1 1 62 62 THR HB H 1 4.025 0.008 . 1 . . . . 62 THR HB . 27017 1 723 . 1 1 62 62 THR HG21 H 1 1.153 0.002 . 1 . . . . 62 THR HG21 . 27017 1 724 . 1 1 62 62 THR HG22 H 1 1.153 0.002 . 1 . . . . 62 THR HG22 . 27017 1 725 . 1 1 62 62 THR HG23 H 1 1.153 0.002 . 1 . . . . 62 THR HG23 . 27017 1 726 . 1 1 62 62 THR C C 13 173.610 0.013 . 1 . . . . 62 THR C . 27017 1 727 . 1 1 62 62 THR CA C 13 59.414 0.086 . 1 . . . . 62 THR CA . 27017 1 728 . 1 1 62 62 THR CB C 13 72.608 0.039 . 1 . . . . 62 THR CB . 27017 1 729 . 1 1 62 62 THR CG2 C 13 22.474 0.055 . 1 . . . . 62 THR CG2 . 27017 1 730 . 1 1 62 62 THR N N 15 108.260 0.010 . 1 . . . . 62 THR N . 27017 1 731 . 1 1 63 63 ILE H H 1 8.506 0.004 . 1 . . . . 63 ILE H . 27017 1 732 . 1 1 63 63 ILE HA H 1 5.068 0.004 . 1 . . . . 63 ILE HA . 27017 1 733 . 1 1 63 63 ILE HB H 1 2.029 0.015 . 1 . . . . 63 ILE HB . 27017 1 734 . 1 1 63 63 ILE HG12 H 1 0.926 0.005 . 1 . . . . 63 ILE HG12 . 27017 1 735 . 1 1 63 63 ILE HG21 H 1 1.246 0.005 . 1 . . . . 63 ILE HG21 . 27017 1 736 . 1 1 63 63 ILE HG22 H 1 1.246 0.005 . 1 . . . . 63 ILE HG22 . 27017 1 737 . 1 1 63 63 ILE HG23 H 1 1.246 0.005 . 1 . . . . 63 ILE HG23 . 27017 1 738 . 1 1 63 63 ILE HD11 H 1 0.772 0.005 . 1 . . . . 63 ILE HD11 . 27017 1 739 . 1 1 63 63 ILE HD12 H 1 0.772 0.005 . 1 . . . . 63 ILE HD12 . 27017 1 740 . 1 1 63 63 ILE HD13 H 1 0.772 0.005 . 1 . . . . 63 ILE HD13 . 27017 1 741 . 1 1 63 63 ILE C C 13 175.533 0.023 . 1 . . . . 63 ILE C . 27017 1 742 . 1 1 63 63 ILE CA C 13 60.066 0.117 . 1 . . . . 63 ILE CA . 27017 1 743 . 1 1 63 63 ILE CB C 13 39.967 0.062 . 1 . . . . 63 ILE CB . 27017 1 744 . 1 1 63 63 ILE CG1 C 13 27.024 0.033 . 1 . . . . 63 ILE CG1 . 27017 1 745 . 1 1 63 63 ILE CG2 C 13 18.039 0.119 . 1 . . . . 63 ILE CG2 . 27017 1 746 . 1 1 63 63 ILE CD1 C 13 13.361 0.021 . 1 . . . . 63 ILE CD1 . 27017 1 747 . 1 1 63 63 ILE N N 15 122.583 0.046 . 1 . . . . 63 ILE N . 27017 1 748 . 1 1 64 64 ASP H H 1 9.195 0.003 . 1 . . . . 64 ASP H . 27017 1 749 . 1 1 64 64 ASP HA H 1 5.556 0.003 . 1 . . . . 64 ASP HA . 27017 1 750 . 1 1 64 64 ASP HB2 H 1 2.881 0.014 . 2 . . . . 64 ASP HB2 . 27017 1 751 . 1 1 64 64 ASP HB3 H 1 3.100 0.004 . 2 . . . . 64 ASP HB3 . 27017 1 752 . 1 1 64 64 ASP C C 13 176.184 0.004 . 1 . . . . 64 ASP C . 27017 1 753 . 1 1 64 64 ASP CA C 13 52.181 0.036 . 1 . . . . 64 ASP CA . 27017 1 754 . 1 1 64 64 ASP CB C 13 42.268 0.053 . 1 . . . . 64 ASP CB . 27017 1 755 . 1 1 64 64 ASP N N 15 129.123 0.029 . 1 . . . . 64 ASP N . 27017 1 756 . 1 1 65 65 PHE H H 1 8.937 0.006 . 1 . . . . 65 PHE H . 27017 1 757 . 1 1 65 65 PHE HA H 1 3.952 0.014 . 1 . . . . 65 PHE HA . 27017 1 758 . 1 1 65 65 PHE HB2 H 1 2.124 0.009 . 2 . . . . 65 PHE HB2 . 27017 1 759 . 1 1 65 65 PHE HB3 H 1 2.873 0.009 . 2 . . . . 65 PHE HB3 . 27017 1 760 . 1 1 65 65 PHE HD1 H 1 6.732 0.004 . 1 . . . . 65 PHE HD1 . 27017 1 761 . 1 1 65 65 PHE HD2 H 1 6.732 0.004 . 1 . . . . 65 PHE HD2 . 27017 1 762 . 1 1 65 65 PHE HE1 H 1 7.195 0.003 . 1 . . . . 65 PHE HE1 . 27017 1 763 . 1 1 65 65 PHE HE2 H 1 7.195 0.003 . 1 . . . . 65 PHE HE2 . 27017 1 764 . 1 1 65 65 PHE HZ H 1 7.430 0.002 . 1 . . . . 65 PHE HZ . 27017 1 765 . 1 1 65 65 PHE C C 13 173.998 0.000 . 1 . . . . 65 PHE C . 27017 1 766 . 1 1 65 65 PHE CA C 13 62.774 0.054 . 1 . . . . 65 PHE CA . 27017 1 767 . 1 1 65 65 PHE CB C 13 36.104 0.063 . 1 . . . . 65 PHE CB . 27017 1 768 . 1 1 65 65 PHE CD1 C 13 131.911 0.082 . 1 . . . . 65 PHE CD1 . 27017 1 769 . 1 1 65 65 PHE CD2 C 13 131.911 0.082 . 1 . . . . 65 PHE CD2 . 27017 1 770 . 1 1 65 65 PHE CE1 C 13 130.623 0.059 . 1 . . . . 65 PHE CE1 . 27017 1 771 . 1 1 65 65 PHE CE2 C 13 130.623 0.059 . 1 . . . . 65 PHE CE2 . 27017 1 772 . 1 1 65 65 PHE CZ C 13 129.662 0.071 . 1 . . . . 65 PHE CZ . 27017 1 773 . 1 1 65 65 PHE N N 15 118.674 0.027 . 1 . . . . 65 PHE N . 27017 1 774 . 1 1 66 66 PRO HA H 1 3.849 0.011 . 1 . . . . 66 PRO HA . 27017 1 775 . 1 1 66 66 PRO HB2 H 1 2.236 0.007 . 1 . . . . 66 PRO HB2 . 27017 1 776 . 1 1 66 66 PRO HG2 H 1 1.903 0.013 . 2 . . . . 66 PRO HG2 . 27017 1 777 . 1 1 66 66 PRO HG3 H 1 2.191 0.009 . 2 . . . . 66 PRO HG3 . 27017 1 778 . 1 1 66 66 PRO HD2 H 1 3.737 0.014 . 1 . . . . 66 PRO HD2 . 27017 1 779 . 1 1 66 66 PRO HD3 H 1 3.737 0.014 . 1 . . . . 66 PRO HD3 . 27017 1 780 . 1 1 66 66 PRO C C 13 180.042 0.022 . 1 . . . . 66 PRO C . 27017 1 781 . 1 1 66 66 PRO CA C 13 66.802 0.061 . 1 . . . . 66 PRO CA . 27017 1 782 . 1 1 66 66 PRO CB C 13 30.623 0.090 . 1 . . . . 66 PRO CB . 27017 1 783 . 1 1 66 66 PRO CG C 13 28.500 0.057 . 1 . . . . 66 PRO CG . 27017 1 784 . 1 1 66 66 PRO CD C 13 49.188 0.086 . 1 . . . . 66 PRO CD . 27017 1 785 . 1 1 67 67 GLU H H 1 8.355 0.003 . 1 . . . . 67 GLU H . 27017 1 786 . 1 1 67 67 GLU HA H 1 4.027 0.007 . 1 . . . . 67 GLU HA . 27017 1 787 . 1 1 67 67 GLU HB2 H 1 2.077 0.019 . 2 . . . . 67 GLU HB2 . 27017 1 788 . 1 1 67 67 GLU HB3 H 1 2.003 0.014 . 2 . . . . 67 GLU HB3 . 27017 1 789 . 1 1 67 67 GLU HG2 H 1 2.322 0.004 . 2 . . . . 67 GLU HG2 . 27017 1 790 . 1 1 67 67 GLU HG3 H 1 2.476 0.006 . 2 . . . . 67 GLU HG3 . 27017 1 791 . 1 1 67 67 GLU C C 13 179.525 0.005 . 1 . . . . 67 GLU C . 27017 1 792 . 1 1 67 67 GLU CA C 13 58.907 0.044 . 1 . . . . 67 GLU CA . 27017 1 793 . 1 1 67 67 GLU CB C 13 29.415 0.128 . 1 . . . . 67 GLU CB . 27017 1 794 . 1 1 67 67 GLU CG C 13 37.292 0.055 . 1 . . . . 67 GLU CG . 27017 1 795 . 1 1 67 67 GLU N N 15 118.357 0.039 . 1 . . . . 67 GLU N . 27017 1 796 . 1 1 68 68 PHE H H 1 8.650 0.005 . 1 . . . . 68 PHE H . 27017 1 797 . 1 1 68 68 PHE HA H 1 3.966 0.006 . 1 . . . . 68 PHE HA . 27017 1 798 . 1 1 68 68 PHE HB2 H 1 3.177 0.007 . 2 . . . . 68 PHE HB2 . 27017 1 799 . 1 1 68 68 PHE HB3 H 1 3.508 0.011 . 2 . . . . 68 PHE HB3 . 27017 1 800 . 1 1 68 68 PHE HD1 H 1 6.972 0.006 . 1 . . . . 68 PHE HD1 . 27017 1 801 . 1 1 68 68 PHE HD2 H 1 6.972 0.006 . 1 . . . . 68 PHE HD2 . 27017 1 802 . 1 1 68 68 PHE HE1 H 1 7.377 0.002 . 1 . . . . 68 PHE HE1 . 27017 1 803 . 1 1 68 68 PHE HE2 H 1 7.377 0.002 . 1 . . . . 68 PHE HE2 . 27017 1 804 . 1 1 68 68 PHE HZ H 1 7.271 0.024 . 1 . . . . 68 PHE HZ . 27017 1 805 . 1 1 68 68 PHE C C 13 176.474 0.015 . 1 . . . . 68 PHE C . 27017 1 806 . 1 1 68 68 PHE CA C 13 61.442 0.056 . 1 . . . . 68 PHE CA . 27017 1 807 . 1 1 68 68 PHE CB C 13 40.610 0.070 . 1 . . . . 68 PHE CB . 27017 1 808 . 1 1 68 68 PHE CD1 C 13 131.856 0.088 . 1 . . . . 68 PHE CD1 . 27017 1 809 . 1 1 68 68 PHE CD2 C 13 131.856 0.088 . 1 . . . . 68 PHE CD2 . 27017 1 810 . 1 1 68 68 PHE CE1 C 13 131.213 0.058 . 1 . . . . 68 PHE CE1 . 27017 1 811 . 1 1 68 68 PHE CE2 C 13 131.213 0.058 . 1 . . . . 68 PHE CE2 . 27017 1 812 . 1 1 68 68 PHE CZ C 13 129.700 0.001 . 1 . . . . 68 PHE CZ . 27017 1 813 . 1 1 68 68 PHE N N 15 123.936 0.020 . 1 . . . . 68 PHE N . 27017 1 814 . 1 1 69 69 LEU H H 1 8.863 0.003 . 1 . . . . 69 LEU H . 27017 1 815 . 1 1 69 69 LEU HA H 1 3.227 0.006 . 1 . . . . 69 LEU HA . 27017 1 816 . 1 1 69 69 LEU HB2 H 1 1.112 0.006 . 2 . . . . 69 LEU HB2 . 27017 1 817 . 1 1 69 69 LEU HB3 H 1 1.202 0.011 . 2 . . . . 69 LEU HB3 . 27017 1 818 . 1 1 69 69 LEU HG H 1 0.868 0.005 . 1 . . . . 69 LEU HG . 27017 1 819 . 1 1 69 69 LEU HD11 H 1 0.430 0.001 . 2 . . . . 69 LEU HD11 . 27017 1 820 . 1 1 69 69 LEU HD12 H 1 0.430 0.001 . 2 . . . . 69 LEU HD12 . 27017 1 821 . 1 1 69 69 LEU HD13 H 1 0.430 0.001 . 2 . . . . 69 LEU HD13 . 27017 1 822 . 1 1 69 69 LEU HD21 H 1 0.503 0.001 . 2 . . . . 69 LEU HD21 . 27017 1 823 . 1 1 69 69 LEU HD22 H 1 0.503 0.001 . 2 . . . . 69 LEU HD22 . 27017 1 824 . 1 1 69 69 LEU HD23 H 1 0.503 0.001 . 2 . . . . 69 LEU HD23 . 27017 1 825 . 1 1 69 69 LEU C C 13 178.822 0.009 . 1 . . . . 69 LEU C . 27017 1 826 . 1 1 69 69 LEU CA C 13 57.724 0.023 . 1 . . . . 69 LEU CA . 27017 1 827 . 1 1 69 69 LEU CB C 13 41.046 0.073 . 1 . . . . 69 LEU CB . 27017 1 828 . 1 1 69 69 LEU CG C 13 25.794 0.089 . 1 . . . . 69 LEU CG . 27017 1 829 . 1 1 69 69 LEU CD1 C 13 25.112 0.106 . 2 . . . . 69 LEU CD1 . 27017 1 830 . 1 1 69 69 LEU CD2 C 13 24.007 0.013 . 2 . . . . 69 LEU CD2 . 27017 1 831 . 1 1 69 69 LEU N N 15 120.301 0.031 . 1 . . . . 69 LEU N . 27017 1 832 . 1 1 70 70 SER H H 1 7.732 0.003 . 1 . . . . 70 SER H . 27017 1 833 . 1 1 70 70 SER HA H 1 3.995 0.003 . 1 . . . . 70 SER HA . 27017 1 834 . 1 1 70 70 SER HB2 H 1 3.891 0.017 . 2 . . . . 70 SER HB2 . 27017 1 835 . 1 1 70 70 SER HB3 H 1 3.869 0.015 . 2 . . . . 70 SER HB3 . 27017 1 836 . 1 1 70 70 SER C C 13 176.843 0.032 . 1 . . . . 70 SER C . 27017 1 837 . 1 1 70 70 SER CA C 13 61.384 0.029 . 1 . . . . 70 SER CA . 27017 1 838 . 1 1 70 70 SER CB C 13 62.703 0.056 . 1 . . . . 70 SER CB . 27017 1 839 . 1 1 70 70 SER N N 15 113.226 0.041 . 1 . . . . 70 SER N . 27017 1 840 . 1 1 71 71 LEU H H 1 7.347 0.003 . 1 . . . . 71 LEU H . 27017 1 841 . 1 1 71 71 LEU HA H 1 3.982 0.005 . 1 . . . . 71 LEU HA . 27017 1 842 . 1 1 71 71 LEU HB2 H 1 1.959 0.012 . 2 . . . . 71 LEU HB2 . 27017 1 843 . 1 1 71 71 LEU HB3 H 1 1.506 0.011 . 2 . . . . 71 LEU HB3 . 27017 1 844 . 1 1 71 71 LEU HG H 1 1.336 0.010 . 1 . . . . 71 LEU HG . 27017 1 845 . 1 1 71 71 LEU HD11 H 1 0.706 0.002 . 2 . . . . 71 LEU HD11 . 27017 1 846 . 1 1 71 71 LEU HD12 H 1 0.706 0.002 . 2 . . . . 71 LEU HD12 . 27017 1 847 . 1 1 71 71 LEU HD13 H 1 0.706 0.002 . 2 . . . . 71 LEU HD13 . 27017 1 848 . 1 1 71 71 LEU HD21 H 1 0.834 0.004 . 2 . . . . 71 LEU HD21 . 27017 1 849 . 1 1 71 71 LEU HD22 H 1 0.834 0.004 . 2 . . . . 71 LEU HD22 . 27017 1 850 . 1 1 71 71 LEU HD23 H 1 0.834 0.004 . 2 . . . . 71 LEU HD23 . 27017 1 851 . 1 1 71 71 LEU C C 13 178.210 0.001 . 1 . . . . 71 LEU C . 27017 1 852 . 1 1 71 71 LEU CA C 13 57.857 0.071 . 1 . . . . 71 LEU CA . 27017 1 853 . 1 1 71 71 LEU CB C 13 41.564 0.087 . 1 . . . . 71 LEU CB . 27017 1 854 . 1 1 71 71 LEU CG C 13 26.644 0.107 . 1 . . . . 71 LEU CG . 27017 1 855 . 1 1 71 71 LEU CD1 C 13 25.549 0.045 . 2 . . . . 71 LEU CD1 . 27017 1 856 . 1 1 71 71 LEU CD2 C 13 23.156 0.031 . 2 . . . . 71 LEU CD2 . 27017 1 857 . 1 1 71 71 LEU N N 15 121.434 0.010 . 1 . . . . 71 LEU N . 27017 1 858 . 1 1 72 72 MET H H 1 7.671 0.004 . 1 . . . . 72 MET H . 27017 1 859 . 1 1 72 72 MET HA H 1 4.087 0.004 . 1 . . . . 72 MET HA . 27017 1 860 . 1 1 72 72 MET HB2 H 1 1.258 0.005 . 2 . . . . 72 MET HB2 . 27017 1 861 . 1 1 72 72 MET HB3 H 1 1.260 0.004 . 2 . . . . 72 MET HB3 . 27017 1 862 . 1 1 72 72 MET HG2 H 1 1.609 0.006 . 1 . . . . 72 MET HG2 . 27017 1 863 . 1 1 72 72 MET HG3 H 1 1.609 0.006 . 1 . . . . 72 MET HG3 . 27017 1 864 . 1 1 72 72 MET HE1 H 1 1.897 0.001 . 1 . . . . 72 MET HE1 . 27017 1 865 . 1 1 72 72 MET HE2 H 1 1.897 0.001 . 1 . . . . 72 MET HE2 . 27017 1 866 . 1 1 72 72 MET HE3 H 1 1.897 0.001 . 1 . . . . 72 MET HE3 . 27017 1 867 . 1 1 72 72 MET C C 13 178.023 0.015 . 1 . . . . 72 MET C . 27017 1 868 . 1 1 72 72 MET CA C 13 55.241 0.026 . 1 . . . . 72 MET CA . 27017 1 869 . 1 1 72 72 MET CB C 13 30.179 0.102 . 1 . . . . 72 MET CB . 27017 1 870 . 1 1 72 72 MET CG C 13 31.610 0.016 . 1 . . . . 72 MET CG . 27017 1 871 . 1 1 72 72 MET CE C 13 16.439 0.002 . 1 . . . . 72 MET CE . 27017 1 872 . 1 1 72 72 MET N N 15 114.415 0.026 . 1 . . . . 72 MET N . 27017 1 873 . 1 1 73 73 ALA H H 1 7.901 0.004 . 1 . . . . 73 ALA H . 27017 1 874 . 1 1 73 73 ALA HA H 1 4.289 0.003 . 1 . . . . 73 ALA HA . 27017 1 875 . 1 1 73 73 ALA HB1 H 1 1.293 0.001 . 1 . . . . 73 ALA HB1 . 27017 1 876 . 1 1 73 73 ALA HB2 H 1 1.293 0.001 . 1 . . . . 73 ALA HB2 . 27017 1 877 . 1 1 73 73 ALA HB3 H 1 1.293 0.001 . 1 . . . . 73 ALA HB3 . 27017 1 878 . 1 1 73 73 ALA C C 13 177.414 0.019 . 1 . . . . 73 ALA C . 27017 1 879 . 1 1 73 73 ALA CA C 13 52.123 0.040 . 1 . . . . 73 ALA CA . 27017 1 880 . 1 1 73 73 ALA CB C 13 19.022 0.077 . 1 . . . . 73 ALA CB . 27017 1 881 . 1 1 73 73 ALA N N 15 120.746 0.021 . 1 . . . . 73 ALA N . 27017 1 882 . 1 1 74 74 ARG H H 1 7.117 0.002 . 1 . . . . 74 ARG H . 27017 1 883 . 1 1 74 74 ARG HA H 1 4.057 0.008 . 1 . . . . 74 ARG HA . 27017 1 884 . 1 1 74 74 ARG HB2 H 1 1.805 0.003 . 2 . . . . 74 ARG HB2 . 27017 1 885 . 1 1 74 74 ARG HB3 H 1 1.880 0.007 . 2 . . . . 74 ARG HB3 . 27017 1 886 . 1 1 74 74 ARG HG2 H 1 1.660 0.010 . 2 . . . . 74 ARG HG2 . 27017 1 887 . 1 1 74 74 ARG HG3 H 1 1.808 0.004 . 2 . . . . 74 ARG HG3 . 27017 1 888 . 1 1 74 74 ARG HD2 H 1 3.177 0.003 . 1 . . . . 74 ARG HD2 . 27017 1 889 . 1 1 74 74 ARG HD3 H 1 3.177 0.003 . 1 . . . . 74 ARG HD3 . 27017 1 890 . 1 1 74 74 ARG HE H 1 7.134 0.003 . 1 . . . . 74 ARG HE . 27017 1 891 . 1 1 74 74 ARG C C 13 176.438 0.045 . 1 . . . . 74 ARG C . 27017 1 892 . 1 1 74 74 ARG CA C 13 57.387 0.094 . 1 . . . . 74 ARG CA . 27017 1 893 . 1 1 74 74 ARG CB C 13 30.885 0.101 . 1 . . . . 74 ARG CB . 27017 1 894 . 1 1 74 74 ARG CG C 13 26.906 0.089 . 1 . . . . 74 ARG CG . 27017 1 895 . 1 1 74 74 ARG CD C 13 43.820 0.076 . 1 . . . . 74 ARG CD . 27017 1 896 . 1 1 74 74 ARG N N 15 119.775 0.014 . 1 . . . . 74 ARG N . 27017 1 897 . 1 1 74 74 ARG NE N 15 84.613 0.035 . 1 . . . . 74 ARG NE . 27017 1 898 . 1 1 75 75 LYS H H 1 8.541 0.004 . 1 . . . . 75 LYS H . 27017 1 899 . 1 1 75 75 LYS HA H 1 4.310 0.003 . 1 . . . . 75 LYS HA . 27017 1 900 . 1 1 75 75 LYS HB2 H 1 1.785 0.006 . 2 . . . . 75 LYS HB2 . 27017 1 901 . 1 1 75 75 LYS HB3 H 1 1.806 0.008 . 2 . . . . 75 LYS HB3 . 27017 1 902 . 1 1 75 75 LYS HG2 H 1 1.443 0.003 . 1 . . . . 75 LYS HG2 . 27017 1 903 . 1 1 75 75 LYS HG3 H 1 1.443 0.003 . 1 . . . . 75 LYS HG3 . 27017 1 904 . 1 1 75 75 LYS HD2 H 1 1.708 0.005 . 1 . . . . 75 LYS HD2 . 27017 1 905 . 1 1 75 75 LYS HD3 H 1 1.708 0.005 . 1 . . . . 75 LYS HD3 . 27017 1 906 . 1 1 75 75 LYS HE2 H 1 3.015 0.003 . 1 . . . . 75 LYS HE2 . 27017 1 907 . 1 1 75 75 LYS HE3 H 1 3.015 0.003 . 1 . . . . 75 LYS HE3 . 27017 1 908 . 1 1 75 75 LYS C C 13 176.318 0.059 . 1 . . . . 75 LYS C . 27017 1 909 . 1 1 75 75 LYS CA C 13 56.279 0.062 . 1 . . . . 75 LYS CA . 27017 1 910 . 1 1 75 75 LYS CB C 13 32.262 0.018 . 1 . . . . 75 LYS CB . 27017 1 911 . 1 1 75 75 LYS CG C 13 24.751 0.046 . 1 . . . . 75 LYS CG . 27017 1 912 . 1 1 75 75 LYS CD C 13 28.843 0.091 . 1 . . . . 75 LYS CD . 27017 1 913 . 1 1 75 75 LYS CE C 13 42.023 0.137 . 1 . . . . 75 LYS CE . 27017 1 914 . 1 1 75 75 LYS N N 15 125.067 0.034 . 1 . . . . 75 LYS N . 27017 1 915 . 1 1 76 76 MET H H 1 8.595 0.005 . 1 . . . . 76 MET H . 27017 1 916 . 1 1 76 76 MET HA H 1 4.707 0.004 . 1 . . . . 76 MET HA . 27017 1 917 . 1 1 76 76 MET HB2 H 1 1.988 0.005 . 2 . . . . 76 MET HB2 . 27017 1 918 . 1 1 76 76 MET HB3 H 1 2.120 0.011 . 2 . . . . 76 MET HB3 . 27017 1 919 . 1 1 76 76 MET HG2 H 1 2.614 0.003 . 2 . . . . 76 MET HG2 . 27017 1 920 . 1 1 76 76 MET HG3 H 1 2.522 0.003 . 2 . . . . 76 MET HG3 . 27017 1 921 . 1 1 76 76 MET HE1 H 1 2.049 0.000 . 1 . . . . 76 MET HE1 . 27017 1 922 . 1 1 76 76 MET HE2 H 1 2.049 0.000 . 1 . . . . 76 MET HE2 . 27017 1 923 . 1 1 76 76 MET HE3 H 1 2.049 0.000 . 1 . . . . 76 MET HE3 . 27017 1 924 . 1 1 76 76 MET C C 13 176.980 0.009 . 1 . . . . 76 MET C . 27017 1 925 . 1 1 76 76 MET CA C 13 54.280 0.049 . 1 . . . . 76 MET CA . 27017 1 926 . 1 1 76 76 MET CB C 13 33.617 0.062 . 1 . . . . 76 MET CB . 27017 1 927 . 1 1 76 76 MET CG C 13 31.665 0.055 . 1 . . . . 76 MET CG . 27017 1 928 . 1 1 76 76 MET CE C 13 16.746 0.000 . 1 . . . . 76 MET CE . 27017 1 929 . 1 1 76 76 MET N N 15 123.706 0.027 . 1 . . . . 76 MET N . 27017 1 930 . 1 1 77 77 LYS H H 1 8.744 0.003 . 1 . . . . 77 LYS H . 27017 1 931 . 1 1 77 77 LYS HA H 1 4.399 0.005 . 1 . . . . 77 LYS HA . 27017 1 932 . 1 1 77 77 LYS HB2 H 1 1.867 0.007 . 2 . . . . 77 LYS HB2 . 27017 1 933 . 1 1 77 77 LYS HB3 H 1 2.008 0.004 . 2 . . . . 77 LYS HB3 . 27017 1 934 . 1 1 77 77 LYS HG2 H 1 1.543 0.003 . 1 . . . . 77 LYS HG2 . 27017 1 935 . 1 1 77 77 LYS HG3 H 1 1.543 0.003 . 1 . . . . 77 LYS HG3 . 27017 1 936 . 1 1 77 77 LYS HD2 H 1 1.750 0.004 . 2 . . . . 77 LYS HD2 . 27017 1 937 . 1 1 77 77 LYS HD3 H 1 1.750 0.004 . 2 . . . . 77 LYS HD3 . 27017 1 938 . 1 1 77 77 LYS HE2 H 1 2.913 0.008 . 2 . . . . 77 LYS HE2 . 27017 1 939 . 1 1 77 77 LYS HE3 H 1 3.027 0.002 . 2 . . . . 77 LYS HE3 . 27017 1 940 . 1 1 77 77 LYS C C 13 177.484 0.033 . 1 . . . . 77 LYS C . 27017 1 941 . 1 1 77 77 LYS CA C 13 56.307 0.054 . 1 . . . . 77 LYS CA . 27017 1 942 . 1 1 77 77 LYS CB C 13 32.997 0.081 . 1 . . . . 77 LYS CB . 27017 1 943 . 1 1 77 77 LYS CG C 13 25.116 0.050 . 1 . . . . 77 LYS CG . 27017 1 944 . 1 1 77 77 LYS CD C 13 29.101 0.008 . 1 . . . . 77 LYS CD . 27017 1 945 . 1 1 77 77 LYS CE C 13 41.797 0.040 . 1 . . . . 77 LYS CE . 27017 1 946 . 1 1 77 77 LYS N N 15 121.588 0.024 . 1 . . . . 77 LYS N . 27017 1 947 . 1 1 78 78 GLU H H 1 8.931 0.004 . 1 . . . . 78 GLU H . 27017 1 948 . 1 1 78 78 GLU HA H 1 4.077 0.003 . 1 . . . . 78 GLU HA . 27017 1 949 . 1 1 78 78 GLU HB2 H 1 2.073 0.004 . 1 . . . . 78 GLU HB2 . 27017 1 950 . 1 1 78 78 GLU HG2 H 1 2.368 0.002 . 1 . . . . 78 GLU HG2 . 27017 1 951 . 1 1 78 78 GLU HG3 H 1 2.368 0.002 . 1 . . . . 78 GLU HG3 . 27017 1 952 . 1 1 78 78 GLU C C 13 178.360 0.044 . 1 . . . . 78 GLU C . 27017 1 953 . 1 1 78 78 GLU CA C 13 59.796 0.062 . 1 . . . . 78 GLU CA . 27017 1 954 . 1 1 78 78 GLU CB C 13 29.397 0.118 . 1 . . . . 78 GLU CB . 27017 1 955 . 1 1 78 78 GLU CG C 13 36.400 0.015 . 1 . . . . 78 GLU CG . 27017 1 956 . 1 1 78 78 GLU N N 15 123.011 0.016 . 1 . . . . 78 GLU N . 27017 1 957 . 1 1 79 79 GLN H H 1 8.750 0.003 . 1 . . . . 79 GLN H . 27017 1 958 . 1 1 79 79 GLN HA H 1 4.237 0.004 . 1 . . . . 79 GLN HA . 27017 1 959 . 1 1 79 79 GLN HB2 H 1 2.097 0.009 . 2 . . . . 79 GLN HB2 . 27017 1 960 . 1 1 79 79 GLN HB3 H 1 2.065 0.014 . 2 . . . . 79 GLN HB3 . 27017 1 961 . 1 1 79 79 GLN HG2 H 1 2.450 0.002 . 1 . . . . 79 GLN HG2 . 27017 1 962 . 1 1 79 79 GLN HG3 H 1 2.450 0.002 . 1 . . . . 79 GLN HG3 . 27017 1 963 . 1 1 79 79 GLN HE21 H 1 7.743 0.002 . 1 . . . . 79 GLN HE21 . 27017 1 964 . 1 1 79 79 GLN HE22 H 1 6.852 0.008 . 1 . . . . 79 GLN HE22 . 27017 1 965 . 1 1 79 79 GLN C C 13 177.135 0.014 . 1 . . . . 79 GLN C . 27017 1 966 . 1 1 79 79 GLN CA C 13 58.145 0.080 . 1 . . . . 79 GLN CA . 27017 1 967 . 1 1 79 79 GLN CB C 13 28.471 0.094 . 1 . . . . 79 GLN CB . 27017 1 968 . 1 1 79 79 GLN CG C 13 33.735 0.046 . 1 . . . . 79 GLN CG . 27017 1 969 . 1 1 79 79 GLN CD C 13 180.579 0.004 . 1 . . . . 79 GLN CD . 27017 1 970 . 1 1 79 79 GLN N N 15 117.844 0.022 . 1 . . . . 79 GLN N . 27017 1 971 . 1 1 79 79 GLN NE2 N 15 112.786 0.096 . 1 . . . . 79 GLN NE2 . 27017 1 972 . 1 1 80 80 ASP H H 1 7.429 0.009 . 1 . . . . 80 ASP H . 27017 1 973 . 1 1 80 80 ASP HA H 1 4.483 0.003 . 1 . . . . 80 ASP HA . 27017 1 974 . 1 1 80 80 ASP HB2 H 1 2.710 0.012 . 2 . . . . 80 ASP HB2 . 27017 1 975 . 1 1 80 80 ASP HB3 H 1 2.738 0.016 . 2 . . . . 80 ASP HB3 . 27017 1 976 . 1 1 80 80 ASP C C 13 177.553 0.048 . 1 . . . . 80 ASP C . 27017 1 977 . 1 1 80 80 ASP CA C 13 56.525 0.114 . 1 . . . . 80 ASP CA . 27017 1 978 . 1 1 80 80 ASP CB C 13 41.075 0.060 . 1 . . . . 80 ASP CB . 27017 1 979 . 1 1 80 80 ASP N N 15 119.598 0.028 . 1 . . . . 80 ASP N . 27017 1 980 . 1 1 81 81 SER H H 1 8.178 0.003 . 1 . . . . 81 SER H . 27017 1 981 . 1 1 81 81 SER HA H 1 4.168 0.002 . 1 . . . . 81 SER HA . 27017 1 982 . 1 1 81 81 SER HB2 H 1 3.966 0.004 . 1 . . . . 81 SER HB2 . 27017 1 983 . 1 1 81 81 SER HB3 H 1 3.966 0.004 . 1 . . . . 81 SER HB3 . 27017 1 984 . 1 1 81 81 SER C C 13 176.703 0.016 . 1 . . . . 81 SER C . 27017 1 985 . 1 1 81 81 SER CA C 13 60.914 0.039 . 1 . . . . 81 SER CA . 27017 1 986 . 1 1 81 81 SER CB C 13 62.940 0.046 . 1 . . . . 81 SER CB . 27017 1 987 . 1 1 81 81 SER N N 15 115.484 0.041 . 1 . . . . 81 SER N . 27017 1 988 . 1 1 82 82 GLU H H 1 8.228 0.004 . 1 . . . . 82 GLU H . 27017 1 989 . 1 1 82 82 GLU HA H 1 4.176 0.008 . 1 . . . . 82 GLU HA . 27017 1 990 . 1 1 82 82 GLU HB2 H 1 2.196 0.004 . 1 . . . . 82 GLU HB2 . 27017 1 991 . 1 1 82 82 GLU HB3 H 1 2.196 0.004 . 1 . . . . 82 GLU HB3 . 27017 1 992 . 1 1 82 82 GLU HG2 H 1 2.403 0.010 . 2 . . . . 82 GLU HG2 . 27017 1 993 . 1 1 82 82 GLU HG3 H 1 2.419 0.008 . 2 . . . . 82 GLU HG3 . 27017 1 994 . 1 1 82 82 GLU C C 13 178.172 0.014 . 1 . . . . 82 GLU C . 27017 1 995 . 1 1 82 82 GLU CA C 13 59.228 0.075 . 1 . . . . 82 GLU CA . 27017 1 996 . 1 1 82 82 GLU CB C 13 29.226 0.057 . 1 . . . . 82 GLU CB . 27017 1 997 . 1 1 82 82 GLU CG C 13 36.018 0.045 . 1 . . . . 82 GLU CG . 27017 1 998 . 1 1 82 82 GLU N N 15 121.946 0.031 . 1 . . . . 82 GLU N . 27017 1 999 . 1 1 83 83 GLU H H 1 8.087 0.005 . 1 . . . . 83 GLU H . 27017 1 1000 . 1 1 83 83 GLU HA H 1 4.090 0.003 . 1 . . . . 83 GLU HA . 27017 1 1001 . 1 1 83 83 GLU HB2 H 1 2.096 0.007 . 2 . . . . 83 GLU HB2 . 27017 1 1002 . 1 1 83 83 GLU HB3 H 1 2.207 0.007 . 2 . . . . 83 GLU HB3 . 27017 1 1003 . 1 1 83 83 GLU HG2 H 1 2.418 0.003 . 2 . . . . 83 GLU HG2 . 27017 1 1004 . 1 1 83 83 GLU HG3 H 1 2.572 0.005 . 2 . . . . 83 GLU HG3 . 27017 1 1005 . 1 1 83 83 GLU C C 13 179.130 0.064 . 1 . . . . 83 GLU C . 27017 1 1006 . 1 1 83 83 GLU CA C 13 59.765 0.051 . 1 . . . . 83 GLU CA . 27017 1 1007 . 1 1 83 83 GLU CB C 13 29.300 0.052 . 1 . . . . 83 GLU CB . 27017 1 1008 . 1 1 83 83 GLU CG C 13 36.517 0.038 . 1 . . . . 83 GLU CG . 27017 1 1009 . 1 1 83 83 GLU N N 15 117.831 0.014 . 1 . . . . 83 GLU N . 27017 1 1010 . 1 1 84 84 GLU H H 1 7.961 0.004 . 1 . . . . 84 GLU H . 27017 1 1011 . 1 1 84 84 GLU HA H 1 3.940 0.007 . 1 . . . . 84 GLU HA . 27017 1 1012 . 1 1 84 84 GLU HB2 H 1 1.948 0.011 . 2 . . . . 84 GLU HB2 . 27017 1 1013 . 1 1 84 84 GLU HB3 H 1 2.322 0.008 . 2 . . . . 84 GLU HB3 . 27017 1 1014 . 1 1 84 84 GLU HG2 H 1 2.650 0.008 . 2 . . . . 84 GLU HG2 . 27017 1 1015 . 1 1 84 84 GLU HG3 H 1 2.158 0.010 . 2 . . . . 84 GLU HG3 . 27017 1 1016 . 1 1 84 84 GLU C C 13 178.646 0.044 . 1 . . . . 84 GLU C . 27017 1 1017 . 1 1 84 84 GLU CA C 13 59.555 0.060 . 1 . . . . 84 GLU CA . 27017 1 1018 . 1 1 84 84 GLU CB C 13 29.708 0.048 . 1 . . . . 84 GLU CB . 27017 1 1019 . 1 1 84 84 GLU CG C 13 37.123 0.101 . 1 . . . . 84 GLU CG . 27017 1 1020 . 1 1 84 84 GLU N N 15 117.085 0.034 . 1 . . . . 84 GLU N . 27017 1 1021 . 1 1 85 85 LEU H H 1 7.656 0.003 . 1 . . . . 85 LEU H . 27017 1 1022 . 1 1 85 85 LEU HA H 1 4.446 0.005 . 1 . . . . 85 LEU HA . 27017 1 1023 . 1 1 85 85 LEU HB2 H 1 1.635 0.005 . 2 . . . . 85 LEU HB2 . 27017 1 1024 . 1 1 85 85 LEU HB3 H 1 2.607 0.015 . 2 . . . . 85 LEU HB3 . 27017 1 1025 . 1 1 85 85 LEU HG H 1 1.990 0.013 . 1 . . . . 85 LEU HG . 27017 1 1026 . 1 1 85 85 LEU HD11 H 1 0.838 0.012 . 2 . . . . 85 LEU HD11 . 27017 1 1027 . 1 1 85 85 LEU HD12 H 1 0.838 0.012 . 2 . . . . 85 LEU HD12 . 27017 1 1028 . 1 1 85 85 LEU HD13 H 1 0.838 0.012 . 2 . . . . 85 LEU HD13 . 27017 1 1029 . 1 1 85 85 LEU HD21 H 1 0.939 0.004 . 2 . . . . 85 LEU HD21 . 27017 1 1030 . 1 1 85 85 LEU HD22 H 1 0.939 0.004 . 2 . . . . 85 LEU HD22 . 27017 1 1031 . 1 1 85 85 LEU HD23 H 1 0.939 0.004 . 2 . . . . 85 LEU HD23 . 27017 1 1032 . 1 1 85 85 LEU C C 13 179.411 0.034 . 1 . . . . 85 LEU C . 27017 1 1033 . 1 1 85 85 LEU CA C 13 58.155 0.061 . 1 . . . . 85 LEU CA . 27017 1 1034 . 1 1 85 85 LEU CB C 13 41.565 0.067 . 1 . . . . 85 LEU CB . 27017 1 1035 . 1 1 85 85 LEU CG C 13 26.795 0.077 . 1 . . . . 85 LEU CG . 27017 1 1036 . 1 1 85 85 LEU CD1 C 13 22.848 0.019 . 2 . . . . 85 LEU CD1 . 27017 1 1037 . 1 1 85 85 LEU CD2 C 13 26.675 0.119 . 2 . . . . 85 LEU CD2 . 27017 1 1038 . 1 1 85 85 LEU N N 15 119.224 0.032 . 1 . . . . 85 LEU N . 27017 1 1039 . 1 1 86 86 ILE H H 1 8.568 0.005 . 1 . . . . 86 ILE H . 27017 1 1040 . 1 1 86 86 ILE HA H 1 3.766 0.005 . 1 . . . . 86 ILE HA . 27017 1 1041 . 1 1 86 86 ILE HB H 1 1.973 0.006 . 1 . . . . 86 ILE HB . 27017 1 1042 . 1 1 86 86 ILE HG12 H 1 0.734 0.010 . 2 . . . . 86 ILE HG12 . 27017 1 1043 . 1 1 86 86 ILE HG13 H 1 1.975 0.006 . 2 . . . . 86 ILE HG13 . 27017 1 1044 . 1 1 86 86 ILE HG21 H 1 0.856 0.001 . 1 . . . . 86 ILE HG21 . 27017 1 1045 . 1 1 86 86 ILE HG22 H 1 0.856 0.001 . 1 . . . . 86 ILE HG22 . 27017 1 1046 . 1 1 86 86 ILE HG23 H 1 0.856 0.001 . 1 . . . . 86 ILE HG23 . 27017 1 1047 . 1 1 86 86 ILE HD11 H 1 0.660 0.002 . 1 . . . . 86 ILE HD11 . 27017 1 1048 . 1 1 86 86 ILE HD12 H 1 0.660 0.002 . 1 . . . . 86 ILE HD12 . 27017 1 1049 . 1 1 86 86 ILE HD13 H 1 0.660 0.002 . 1 . . . . 86 ILE HD13 . 27017 1 1050 . 1 1 86 86 ILE C C 13 178.657 0.001 . 1 . . . . 86 ILE C . 27017 1 1051 . 1 1 86 86 ILE CA C 13 65.617 0.049 . 1 . . . . 86 ILE CA . 27017 1 1052 . 1 1 86 86 ILE CB C 13 38.314 0.076 . 1 . . . . 86 ILE CB . 27017 1 1053 . 1 1 86 86 ILE CG1 C 13 28.984 0.062 . 1 . . . . 86 ILE CG1 . 27017 1 1054 . 1 1 86 86 ILE CG2 C 13 17.231 0.018 . 1 . . . . 86 ILE CG2 . 27017 1 1055 . 1 1 86 86 ILE CD1 C 13 13.500 0.006 . 1 . . . . 86 ILE CD1 . 27017 1 1056 . 1 1 86 86 ILE N N 15 122.126 0.029 . 1 . . . . 86 ILE N . 27017 1 1057 . 1 1 87 87 GLU H H 1 7.969 0.003 . 1 . . . . 87 GLU H . 27017 1 1058 . 1 1 87 87 GLU HA H 1 4.157 0.005 . 1 . . . . 87 GLU HA . 27017 1 1059 . 1 1 87 87 GLU HB2 H 1 2.200 0.011 . 2 . . . . 87 GLU HB2 . 27017 1 1060 . 1 1 87 87 GLU HB3 H 1 2.184 0.012 . 2 . . . . 87 GLU HB3 . 27017 1 1061 . 1 1 87 87 GLU HG2 H 1 2.113 0.008 . 2 . . . . 87 GLU HG2 . 27017 1 1062 . 1 1 87 87 GLU HG3 H 1 2.673 0.008 . 2 . . . . 87 GLU HG3 . 27017 1 1063 . 1 1 87 87 GLU C C 13 180.066 0.018 . 1 . . . . 87 GLU C . 27017 1 1064 . 1 1 87 87 GLU CA C 13 58.598 0.054 . 1 . . . . 87 GLU CA . 27017 1 1065 . 1 1 87 87 GLU CB C 13 28.721 0.045 . 1 . . . . 87 GLU CB . 27017 1 1066 . 1 1 87 87 GLU CG C 13 35.350 0.079 . 1 . . . . 87 GLU CG . 27017 1 1067 . 1 1 87 87 GLU N N 15 116.533 0.032 . 1 . . . . 87 GLU N . 27017 1 1068 . 1 1 88 88 ALA H H 1 8.249 0.003 . 1 . . . . 88 ALA H . 27017 1 1069 . 1 1 88 88 ALA HA H 1 3.918 0.007 . 1 . . . . 88 ALA HA . 27017 1 1070 . 1 1 88 88 ALA HB1 H 1 1.702 0.001 . 1 . . . . 88 ALA HB1 . 27017 1 1071 . 1 1 88 88 ALA HB2 H 1 1.702 0.001 . 1 . . . . 88 ALA HB2 . 27017 1 1072 . 1 1 88 88 ALA HB3 H 1 1.702 0.001 . 1 . . . . 88 ALA HB3 . 27017 1 1073 . 1 1 88 88 ALA C C 13 178.053 0.018 . 1 . . . . 88 ALA C . 27017 1 1074 . 1 1 88 88 ALA CA C 13 55.480 0.049 . 1 . . . . 88 ALA CA . 27017 1 1075 . 1 1 88 88 ALA CB C 13 18.044 0.111 . 1 . . . . 88 ALA CB . 27017 1 1076 . 1 1 88 88 ALA N N 15 120.706 0.012 . 1 . . . . 88 ALA N . 27017 1 1077 . 1 1 89 89 PHE H H 1 8.785 0.004 . 1 . . . . 89 PHE H . 27017 1 1078 . 1 1 89 89 PHE HA H 1 3.061 0.008 . 1 . . . . 89 PHE HA . 27017 1 1079 . 1 1 89 89 PHE HB2 H 1 2.932 0.010 . 2 . . . . 89 PHE HB2 . 27017 1 1080 . 1 1 89 89 PHE HB3 H 1 3.284 0.009 . 2 . . . . 89 PHE HB3 . 27017 1 1081 . 1 1 89 89 PHE HD1 H 1 6.678 0.004 . 1 . . . . 89 PHE HD1 . 27017 1 1082 . 1 1 89 89 PHE HD2 H 1 6.678 0.004 . 1 . . . . 89 PHE HD2 . 27017 1 1083 . 1 1 89 89 PHE HE1 H 1 7.062 0.008 . 1 . . . . 89 PHE HE1 . 27017 1 1084 . 1 1 89 89 PHE HE2 H 1 7.062 0.008 . 1 . . . . 89 PHE HE2 . 27017 1 1085 . 1 1 89 89 PHE HZ H 1 7.246 0.005 . 1 . . . . 89 PHE HZ . 27017 1 1086 . 1 1 89 89 PHE C C 13 176.954 0.029 . 1 . . . . 89 PHE C . 27017 1 1087 . 1 1 89 89 PHE CA C 13 62.734 0.091 . 1 . . . . 89 PHE CA . 27017 1 1088 . 1 1 89 89 PHE CB C 13 39.219 0.102 . 1 . . . . 89 PHE CB . 27017 1 1089 . 1 1 89 89 PHE CD1 C 13 131.913 0.062 . 1 . . . . 89 PHE CD1 . 27017 1 1090 . 1 1 89 89 PHE CD2 C 13 131.913 0.062 . 1 . . . . 89 PHE CD2 . 27017 1 1091 . 1 1 89 89 PHE CE1 C 13 131.452 0.067 . 1 . . . . 89 PHE CE1 . 27017 1 1092 . 1 1 89 89 PHE CE2 C 13 131.452 0.067 . 1 . . . . 89 PHE CE2 . 27017 1 1093 . 1 1 89 89 PHE CZ C 13 131.207 0.079 . 1 . . . . 89 PHE CZ . 27017 1 1094 . 1 1 89 89 PHE N N 15 119.159 0.046 . 1 . . . . 89 PHE N . 27017 1 1095 . 1 1 90 90 LYS H H 1 7.980 0.005 . 1 . . . . 90 LYS H . 27017 1 1096 . 1 1 90 90 LYS HA H 1 3.902 0.005 . 1 . . . . 90 LYS HA . 27017 1 1097 . 1 1 90 90 LYS HB2 H 1 1.939 0.008 . 1 . . . . 90 LYS HB2 . 27017 1 1098 . 1 1 90 90 LYS HG2 H 1 1.577 0.007 . 2 . . . . 90 LYS HG2 . 27017 1 1099 . 1 1 90 90 LYS HG3 H 1 1.925 0.007 . 2 . . . . 90 LYS HG3 . 27017 1 1100 . 1 1 90 90 LYS HD2 H 1 1.701 0.003 . 1 . . . . 90 LYS HD2 . 27017 1 1101 . 1 1 90 90 LYS HD3 H 1 1.700 0.004 . 1 . . . . 90 LYS HD3 . 27017 1 1102 . 1 1 90 90 LYS HE2 H 1 2.901 0.003 . 1 . . . . 90 LYS HE2 . 27017 1 1103 . 1 1 90 90 LYS HE3 H 1 2.901 0.003 . 1 . . . . 90 LYS HE3 . 27017 1 1104 . 1 1 90 90 LYS C C 13 178.807 0.000 . 1 . . . . 90 LYS C . 27017 1 1105 . 1 1 90 90 LYS CA C 13 59.716 0.072 . 1 . . . . 90 LYS CA . 27017 1 1106 . 1 1 90 90 LYS CB C 13 32.869 0.067 . 1 . . . . 90 LYS CB . 27017 1 1107 . 1 1 90 90 LYS CG C 13 25.930 0.039 . 1 . . . . 90 LYS CG . 27017 1 1108 . 1 1 90 90 LYS CD C 13 29.849 0.080 . 1 . . . . 90 LYS CD . 27017 1 1109 . 1 1 90 90 LYS CE C 13 41.717 0.080 . 1 . . . . 90 LYS CE . 27017 1 1110 . 1 1 90 90 LYS N N 15 115.737 0.047 . 1 . . . . 90 LYS N . 27017 1 1111 . 1 1 91 91 VAL H H 1 7.328 0.005 . 1 . . . . 91 VAL H . 27017 1 1112 . 1 1 91 91 VAL HA H 1 3.646 0.007 . 1 . . . . 91 VAL HA . 27017 1 1113 . 1 1 91 91 VAL HB H 1 2.349 0.006 . 1 . . . . 91 VAL HB . 27017 1 1114 . 1 1 91 91 VAL HG11 H 1 0.878 0.002 . 2 . . . . 91 VAL HG11 . 27017 1 1115 . 1 1 91 91 VAL HG12 H 1 0.878 0.002 . 2 . . . . 91 VAL HG12 . 27017 1 1116 . 1 1 91 91 VAL HG13 H 1 0.878 0.002 . 2 . . . . 91 VAL HG13 . 27017 1 1117 . 1 1 91 91 VAL HG21 H 1 1.019 0.002 . 2 . . . . 91 VAL HG21 . 27017 1 1118 . 1 1 91 91 VAL HG22 H 1 1.019 0.002 . 2 . . . . 91 VAL HG22 . 27017 1 1119 . 1 1 91 91 VAL HG23 H 1 1.019 0.002 . 2 . . . . 91 VAL HG23 . 27017 1 1120 . 1 1 91 91 VAL C C 13 177.311 0.020 . 1 . . . . 91 VAL C . 27017 1 1121 . 1 1 91 91 VAL CA C 13 65.553 0.046 . 1 . . . . 91 VAL CA . 27017 1 1122 . 1 1 91 91 VAL CB C 13 31.287 0.053 . 1 . . . . 91 VAL CB . 27017 1 1123 . 1 1 91 91 VAL CG1 C 13 22.574 0.057 . 2 . . . . 91 VAL CG1 . 27017 1 1124 . 1 1 91 91 VAL CG2 C 13 22.387 0.050 . 2 . . . . 91 VAL CG2 . 27017 1 1125 . 1 1 91 91 VAL N N 15 117.104 0.028 . 1 . . . . 91 VAL N . 27017 1 1126 . 1 1 92 92 PHE H H 1 7.353 0.004 . 1 . . . . 92 PHE H . 27017 1 1127 . 1 1 92 92 PHE HA H 1 4.242 0.009 . 1 . . . . 92 PHE HA . 27017 1 1128 . 1 1 92 92 PHE HB2 H 1 2.649 0.006 . 2 . . . . 92 PHE HB2 . 27017 1 1129 . 1 1 92 92 PHE HB3 H 1 2.823 0.010 . 2 . . . . 92 PHE HB3 . 27017 1 1130 . 1 1 92 92 PHE HD1 H 1 7.258 0.005 . 1 . . . . 92 PHE HD1 . 27017 1 1131 . 1 1 92 92 PHE HD2 H 1 7.258 0.005 . 1 . . . . 92 PHE HD2 . 27017 1 1132 . 1 1 92 92 PHE HE1 H 1 7.268 0.004 . 1 . . . . 92 PHE HE1 . 27017 1 1133 . 1 1 92 92 PHE HE2 H 1 7.268 0.004 . 1 . . . . 92 PHE HE2 . 27017 1 1134 . 1 1 92 92 PHE HZ H 1 7.115 0.002 . 1 . . . . 92 PHE HZ . 27017 1 1135 . 1 1 92 92 PHE C C 13 176.745 0.030 . 1 . . . . 92 PHE C . 27017 1 1136 . 1 1 92 92 PHE CA C 13 59.802 0.105 . 1 . . . . 92 PHE CA . 27017 1 1137 . 1 1 92 92 PHE CB C 13 40.109 0.094 . 1 . . . . 92 PHE CB . 27017 1 1138 . 1 1 92 92 PHE CD1 C 13 131.462 0.043 . 1 . . . . 92 PHE CD1 . 27017 1 1139 . 1 1 92 92 PHE CD2 C 13 131.462 0.043 . 1 . . . . 92 PHE CD2 . 27017 1 1140 . 1 1 92 92 PHE CE1 C 13 130.270 0.063 . 1 . . . . 92 PHE CE1 . 27017 1 1141 . 1 1 92 92 PHE CE2 C 13 130.270 0.063 . 1 . . . . 92 PHE CE2 . 27017 1 1142 . 1 1 92 92 PHE CZ C 13 128.636 0.002 . 1 . . . . 92 PHE CZ . 27017 1 1143 . 1 1 92 92 PHE N N 15 117.034 0.057 . 1 . . . . 92 PHE N . 27017 1 1144 . 1 1 93 93 ASP H H 1 7.948 0.007 . 1 . . . . 93 ASP H . 27017 1 1145 . 1 1 93 93 ASP HA H 1 4.553 0.005 . 1 . . . . 93 ASP HA . 27017 1 1146 . 1 1 93 93 ASP HB2 H 1 1.448 0.006 . 2 . . . . 93 ASP HB2 . 27017 1 1147 . 1 1 93 93 ASP HB3 H 1 2.405 0.007 . 2 . . . . 93 ASP HB3 . 27017 1 1148 . 1 1 93 93 ASP C C 13 177.336 0.038 . 1 . . . . 93 ASP C . 27017 1 1149 . 1 1 93 93 ASP CA C 13 52.294 0.024 . 1 . . . . 93 ASP CA . 27017 1 1150 . 1 1 93 93 ASP CB C 13 38.553 0.098 . 1 . . . . 93 ASP CB . 27017 1 1151 . 1 1 93 93 ASP N N 15 116.866 0.032 . 1 . . . . 93 ASP N . 27017 1 1152 . 1 1 94 94 ARG H H 1 7.722 0.004 . 1 . . . . 94 ARG H . 27017 1 1153 . 1 1 94 94 ARG HA H 1 3.959 0.005 . 1 . . . . 94 ARG HA . 27017 1 1154 . 1 1 94 94 ARG HB2 H 1 1.808 0.005 . 2 . . . . 94 ARG HB2 . 27017 1 1155 . 1 1 94 94 ARG HB3 H 1 1.941 0.006 . 2 . . . . 94 ARG HB3 . 27017 1 1156 . 1 1 94 94 ARG HG2 H 1 1.714 0.005 . 2 . . . . 94 ARG HG2 . 27017 1 1157 . 1 1 94 94 ARG HG3 H 1 1.805 0.005 . 2 . . . . 94 ARG HG3 . 27017 1 1158 . 1 1 94 94 ARG HD2 H 1 3.245 0.012 . 1 . . . . 94 ARG HD2 . 27017 1 1159 . 1 1 94 94 ARG HE H 1 7.238 0.000 . 1 . . . . 94 ARG HE . 27017 1 1160 . 1 1 94 94 ARG C C 13 177.965 0.019 . 1 . . . . 94 ARG C . 27017 1 1161 . 1 1 94 94 ARG CA C 13 59.038 0.069 . 1 . . . . 94 ARG CA . 27017 1 1162 . 1 1 94 94 ARG CB C 13 30.715 0.049 . 1 . . . . 94 ARG CB . 27017 1 1163 . 1 1 94 94 ARG CG C 13 26.917 0.033 . 1 . . . . 94 ARG CG . 27017 1 1164 . 1 1 94 94 ARG CD C 13 43.152 0.059 . 1 . . . . 94 ARG CD . 27017 1 1165 . 1 1 94 94 ARG N N 15 125.413 0.044 . 1 . . . . 94 ARG N . 27017 1 1166 . 1 1 94 94 ARG NE N 15 83.501 0.000 . 1 . . . . 94 ARG NE . 27017 1 1167 . 1 1 95 95 ASP H H 1 8.127 0.005 . 1 . . . . 95 ASP H . 27017 1 1168 . 1 1 95 95 ASP HA H 1 4.609 0.014 . 1 . . . . 95 ASP HA . 27017 1 1169 . 1 1 95 95 ASP HB2 H 1 2.648 0.009 . 2 . . . . 95 ASP HB2 . 27017 1 1170 . 1 1 95 95 ASP HB3 H 1 3.105 0.007 . 2 . . . . 95 ASP HB3 . 27017 1 1171 . 1 1 95 95 ASP C C 13 177.884 0.033 . 1 . . . . 95 ASP C . 27017 1 1172 . 1 1 95 95 ASP CA C 13 52.909 0.051 . 1 . . . . 95 ASP CA . 27017 1 1173 . 1 1 95 95 ASP CB C 13 39.652 0.051 . 1 . . . . 95 ASP CB . 27017 1 1174 . 1 1 95 95 ASP N N 15 113.893 0.050 . 1 . . . . 95 ASP N . 27017 1 1175 . 1 1 96 96 GLY H H 1 7.806 0.002 . 1 . . . . 96 GLY H . 27017 1 1176 . 1 1 96 96 GLY HA2 H 1 3.858 0.007 . 2 . . . . 96 GLY HA2 . 27017 1 1177 . 1 1 96 96 GLY HA3 H 1 3.932 0.002 . 2 . . . . 96 GLY HA3 . 27017 1 1178 . 1 1 96 96 GLY C C 13 175.078 0.000 . 1 . . . . 96 GLY C . 27017 1 1179 . 1 1 96 96 GLY CA C 13 47.239 0.035 . 1 . . . . 96 GLY CA . 27017 1 1180 . 1 1 96 96 GLY N N 15 108.767 0.012 . 1 . . . . 96 GLY N . 27017 1 1181 . 1 1 97 97 ASN H H 1 8.185 0.002 . 1 . . . . 97 ASN H . 27017 1 1182 . 1 1 97 97 ASN HA H 1 4.674 0.005 . 1 . . . . 97 ASN HA . 27017 1 1183 . 1 1 97 97 ASN HB2 H 1 2.620 0.007 . 2 . . . . 97 ASN HB2 . 27017 1 1184 . 1 1 97 97 ASN HB3 H 1 3.296 0.003 . 2 . . . . 97 ASN HB3 . 27017 1 1185 . 1 1 97 97 ASN HD21 H 1 7.963 0.003 . 1 . . . . 97 ASN HD21 . 27017 1 1186 . 1 1 97 97 ASN HD22 H 1 6.803 0.005 . 1 . . . . 97 ASN HD22 . 27017 1 1187 . 1 1 97 97 ASN C C 13 176.092 0.031 . 1 . . . . 97 ASN C . 27017 1 1188 . 1 1 97 97 ASN CA C 13 52.512 0.062 . 1 . . . . 97 ASN CA . 27017 1 1189 . 1 1 97 97 ASN CB C 13 37.823 0.048 . 1 . . . . 97 ASN CB . 27017 1 1190 . 1 1 97 97 ASN CG C 13 179.104 0.014 . 1 . . . . 97 ASN CG . 27017 1 1191 . 1 1 97 97 ASN N N 15 119.255 0.000 . 1 . . . . 97 ASN N . 27017 1 1192 . 1 1 97 97 ASN ND2 N 15 115.049 0.062 . 1 . . . . 97 ASN ND2 . 27017 1 1193 . 1 1 98 98 GLY H H 1 10.959 0.002 . 1 . . . . 98 GLY H . 27017 1 1194 . 1 1 98 98 GLY HA2 H 1 3.676 0.005 . 2 . . . . 98 GLY HA2 . 27017 1 1195 . 1 1 98 98 GLY HA3 H 1 4.273 0.004 . 2 . . . . 98 GLY HA3 . 27017 1 1196 . 1 1 98 98 GLY C C 13 172.936 0.000 . 1 . . . . 98 GLY C . 27017 1 1197 . 1 1 98 98 GLY CA C 13 45.490 0.070 . 1 . . . . 98 GLY CA . 27017 1 1198 . 1 1 98 98 GLY N N 15 113.794 0.045 . 1 . . . . 98 GLY N . 27017 1 1199 . 1 1 99 99 LEU H H 1 7.459 0.003 . 1 . . . . 99 LEU H . 27017 1 1200 . 1 1 99 99 LEU HA H 1 4.905 0.013 . 1 . . . . 99 LEU HA . 27017 1 1201 . 1 1 99 99 LEU HB2 H 1 1.580 0.015 . 2 . . . . 99 LEU HB2 . 27017 1 1202 . 1 1 99 99 LEU HB3 H 1 0.965 0.020 . 2 . . . . 99 LEU HB3 . 27017 1 1203 . 1 1 99 99 LEU HG H 1 1.354 0.007 . 1 . . . . 99 LEU HG . 27017 1 1204 . 1 1 99 99 LEU HD11 H 1 0.445 0.003 . 2 . . . . 99 LEU HD11 . 27017 1 1205 . 1 1 99 99 LEU HD12 H 1 0.445 0.003 . 2 . . . . 99 LEU HD12 . 27017 1 1206 . 1 1 99 99 LEU HD13 H 1 0.445 0.003 . 2 . . . . 99 LEU HD13 . 27017 1 1207 . 1 1 99 99 LEU HD21 H 1 0.916 0.003 . 2 . . . . 99 LEU HD21 . 27017 1 1208 . 1 1 99 99 LEU HD22 H 1 0.916 0.003 . 2 . . . . 99 LEU HD22 . 27017 1 1209 . 1 1 99 99 LEU HD23 H 1 0.916 0.003 . 2 . . . . 99 LEU HD23 . 27017 1 1210 . 1 1 99 99 LEU C C 13 175.753 0.031 . 1 . . . . 99 LEU C . 27017 1 1211 . 1 1 99 99 LEU CA C 13 52.744 0.043 . 1 . . . . 99 LEU CA . 27017 1 1212 . 1 1 99 99 LEU CB C 13 46.633 0.109 . 1 . . . . 99 LEU CB . 27017 1 1213 . 1 1 99 99 LEU CG C 13 25.675 0.055 . 1 . . . . 99 LEU CG . 27017 1 1214 . 1 1 99 99 LEU CD1 C 13 25.195 0.041 . 2 . . . . 99 LEU CD1 . 27017 1 1215 . 1 1 99 99 LEU CD2 C 13 23.663 0.081 . 2 . . . . 99 LEU CD2 . 27017 1 1216 . 1 1 99 99 LEU N N 15 118.641 0.020 . 1 . . . . 99 LEU N . 27017 1 1217 . 1 1 100 100 ILE H H 1 9.952 0.009 . 1 . . . . 100 ILE H . 27017 1 1218 . 1 1 100 100 ILE HA H 1 4.815 0.008 . 1 . . . . 100 ILE HA . 27017 1 1219 . 1 1 100 100 ILE HB H 1 2.024 0.010 . 1 . . . . 100 ILE HB . 27017 1 1220 . 1 1 100 100 ILE HG21 H 1 0.986 0.004 . 1 . . . . 100 ILE HG21 . 27017 1 1221 . 1 1 100 100 ILE HG22 H 1 0.986 0.004 . 1 . . . . 100 ILE HG22 . 27017 1 1222 . 1 1 100 100 ILE HG23 H 1 0.986 0.004 . 1 . . . . 100 ILE HG23 . 27017 1 1223 . 1 1 100 100 ILE HD11 H 1 0.370 0.006 . 1 . . . . 100 ILE HD11 . 27017 1 1224 . 1 1 100 100 ILE HD12 H 1 0.370 0.006 . 1 . . . . 100 ILE HD12 . 27017 1 1225 . 1 1 100 100 ILE HD13 H 1 0.370 0.006 . 1 . . . . 100 ILE HD13 . 27017 1 1226 . 1 1 100 100 ILE C C 13 175.882 0.018 . 1 . . . . 100 ILE C . 27017 1 1227 . 1 1 100 100 ILE CA C 13 61.305 0.055 . 1 . . . . 100 ILE CA . 27017 1 1228 . 1 1 100 100 ILE CB C 13 38.355 0.043 . 1 . . . . 100 ILE CB . 27017 1 1229 . 1 1 100 100 ILE CG2 C 13 17.690 0.094 . 1 . . . . 100 ILE CG2 . 27017 1 1230 . 1 1 100 100 ILE CD1 C 13 15.045 0.020 . 1 . . . . 100 ILE CD1 . 27017 1 1231 . 1 1 100 100 ILE N N 15 127.871 0.047 . 1 . . . . 100 ILE N . 27017 1 1232 . 1 1 101 101 SER H H 1 9.293 0.006 . 1 . . . . 101 SER H . 27017 1 1233 . 1 1 101 101 SER HA H 1 4.773 0.000 . 1 . . . . 101 SER HA . 27017 1 1234 . 1 1 101 101 SER HB2 H 1 4.019 0.000 . 2 . . . . 101 SER HB2 . 27017 1 1235 . 1 1 101 101 SER HB3 H 1 4.411 0.000 . 2 . . . . 101 SER HB3 . 27017 1 1236 . 1 1 101 101 SER C C 13 174.938 0.000 . 1 . . . . 101 SER C . 27017 1 1237 . 1 1 101 101 SER CA C 13 55.757 0.024 . 1 . . . . 101 SER CA . 27017 1 1238 . 1 1 101 101 SER CB C 13 67.094 0.063 . 1 . . . . 101 SER CB . 27017 1 1239 . 1 1 101 101 SER N N 15 124.652 0.047 . 1 . . . . 101 SER N . 27017 1 1240 . 1 1 102 102 ALA H H 1 9.233 0.003 . 1 . . . . 102 ALA H . 27017 1 1241 . 1 1 102 102 ALA HA H 1 3.916 0.003 . 1 . . . . 102 ALA HA . 27017 1 1242 . 1 1 102 102 ALA HB1 H 1 1.409 0.002 . 1 . . . . 102 ALA HB1 . 27017 1 1243 . 1 1 102 102 ALA HB2 H 1 1.409 0.002 . 1 . . . . 102 ALA HB2 . 27017 1 1244 . 1 1 102 102 ALA HB3 H 1 1.409 0.002 . 1 . . . . 102 ALA HB3 . 27017 1 1245 . 1 1 102 102 ALA C C 13 179.261 0.040 . 1 . . . . 102 ALA C . 27017 1 1246 . 1 1 102 102 ALA CA C 13 55.920 0.059 . 1 . . . . 102 ALA CA . 27017 1 1247 . 1 1 102 102 ALA CB C 13 17.786 0.083 . 1 . . . . 102 ALA CB . 27017 1 1248 . 1 1 102 102 ALA N N 15 123.243 0.027 . 1 . . . . 102 ALA N . 27017 1 1249 . 1 1 103 103 ALA H H 1 8.218 0.003 . 1 . . . . 103 ALA H . 27017 1 1250 . 1 1 103 103 ALA HA H 1 4.057 0.010 . 1 . . . . 103 ALA HA . 27017 1 1251 . 1 1 103 103 ALA HB1 H 1 1.438 0.002 . 1 . . . . 103 ALA HB1 . 27017 1 1252 . 1 1 103 103 ALA HB2 H 1 1.438 0.002 . 1 . . . . 103 ALA HB2 . 27017 1 1253 . 1 1 103 103 ALA HB3 H 1 1.438 0.002 . 1 . . . . 103 ALA HB3 . 27017 1 1254 . 1 1 103 103 ALA C C 13 181.736 0.036 . 1 . . . . 103 ALA C . 27017 1 1255 . 1 1 103 103 ALA CA C 13 55.263 0.057 . 1 . . . . 103 ALA CA . 27017 1 1256 . 1 1 103 103 ALA CB C 13 18.390 0.080 . 1 . . . . 103 ALA CB . 27017 1 1257 . 1 1 103 103 ALA N N 15 118.608 0.022 . 1 . . . . 103 ALA N . 27017 1 1258 . 1 1 104 104 GLU H H 1 7.895 0.007 . 1 . . . . 104 GLU H . 27017 1 1259 . 1 1 104 104 GLU HA H 1 4.054 0.005 . 1 . . . . 104 GLU HA . 27017 1 1260 . 1 1 104 104 GLU HB2 H 1 2.606 0.009 . 1 . . . . 104 GLU HB2 . 27017 1 1261 . 1 1 104 104 GLU HG2 H 1 2.600 0.012 . 1 . . . . 104 GLU HG2 . 27017 1 1262 . 1 1 104 104 GLU C C 13 178.873 0.019 . 1 . . . . 104 GLU C . 27017 1 1263 . 1 1 104 104 GLU CA C 13 59.489 0.030 . 1 . . . . 104 GLU CA . 27017 1 1264 . 1 1 104 104 GLU CB C 13 29.292 0.100 . 1 . . . . 104 GLU CB . 27017 1 1265 . 1 1 104 104 GLU CG C 13 37.801 0.087 . 1 . . . . 104 GLU CG . 27017 1 1266 . 1 1 104 104 GLU N N 15 120.353 0.063 . 1 . . . . 104 GLU N . 27017 1 1267 . 1 1 105 105 LEU H H 1 8.808 0.004 . 1 . . . . 105 LEU H . 27017 1 1268 . 1 1 105 105 LEU HA H 1 4.100 0.009 . 1 . . . . 105 LEU HA . 27017 1 1269 . 1 1 105 105 LEU HB2 H 1 1.562 0.023 . 2 . . . . 105 LEU HB2 . 27017 1 1270 . 1 1 105 105 LEU HB3 H 1 1.939 0.015 . 2 . . . . 105 LEU HB3 . 27017 1 1271 . 1 1 105 105 LEU HG H 1 1.625 0.004 . 1 . . . . 105 LEU HG . 27017 1 1272 . 1 1 105 105 LEU HD11 H 1 0.864 0.006 . 2 . . . . 105 LEU HD11 . 27017 1 1273 . 1 1 105 105 LEU HD12 H 1 0.864 0.006 . 2 . . . . 105 LEU HD12 . 27017 1 1274 . 1 1 105 105 LEU HD13 H 1 0.864 0.006 . 2 . . . . 105 LEU HD13 . 27017 1 1275 . 1 1 105 105 LEU HD21 H 1 0.925 0.018 . 2 . . . . 105 LEU HD21 . 27017 1 1276 . 1 1 105 105 LEU HD22 H 1 0.925 0.018 . 2 . . . . 105 LEU HD22 . 27017 1 1277 . 1 1 105 105 LEU HD23 H 1 0.925 0.018 . 2 . . . . 105 LEU HD23 . 27017 1 1278 . 1 1 105 105 LEU C C 13 178.543 0.027 . 1 . . . . 105 LEU C . 27017 1 1279 . 1 1 105 105 LEU CA C 13 58.601 0.072 . 1 . . . . 105 LEU CA . 27017 1 1280 . 1 1 105 105 LEU CB C 13 42.269 0.067 . 1 . . . . 105 LEU CB . 27017 1 1281 . 1 1 105 105 LEU CG C 13 27.721 0.020 . 1 . . . . 105 LEU CG . 27017 1 1282 . 1 1 105 105 LEU CD1 C 13 23.963 0.066 . 2 . . . . 105 LEU CD1 . 27017 1 1283 . 1 1 105 105 LEU CD2 C 13 26.346 0.036 . 2 . . . . 105 LEU CD2 . 27017 1 1284 . 1 1 105 105 LEU N N 15 120.738 0.039 . 1 . . . . 105 LEU N . 27017 1 1285 . 1 1 106 106 ARG H H 1 8.774 0.004 . 1 . . . . 106 ARG H . 27017 1 1286 . 1 1 106 106 ARG HA H 1 3.863 0.006 . 1 . . . . 106 ARG HA . 27017 1 1287 . 1 1 106 106 ARG HB2 H 1 1.796 0.007 . 2 . . . . 106 ARG HB2 . 27017 1 1288 . 1 1 106 106 ARG HB3 H 1 1.964 0.006 . 2 . . . . 106 ARG HB3 . 27017 1 1289 . 1 1 106 106 ARG HG2 H 1 1.638 0.010 . 2 . . . . 106 ARG HG2 . 27017 1 1290 . 1 1 106 106 ARG HG3 H 1 1.796 0.006 . 2 . . . . 106 ARG HG3 . 27017 1 1291 . 1 1 106 106 ARG HD2 H 1 3.164 0.007 . 2 . . . . 106 ARG HD2 . 27017 1 1292 . 1 1 106 106 ARG HD3 H 1 3.266 0.005 . 2 . . . . 106 ARG HD3 . 27017 1 1293 . 1 1 106 106 ARG HE H 1 7.314 0.001 . 1 . . . . 106 ARG HE . 27017 1 1294 . 1 1 106 106 ARG C C 13 178.735 0.005 . 1 . . . . 106 ARG C . 27017 1 1295 . 1 1 106 106 ARG CA C 13 60.041 0.068 . 1 . . . . 106 ARG CA . 27017 1 1296 . 1 1 106 106 ARG CB C 13 30.835 0.063 . 1 . . . . 106 ARG CB . 27017 1 1297 . 1 1 106 106 ARG CG C 13 28.031 0.071 . 1 . . . . 106 ARG CG . 27017 1 1298 . 1 1 106 106 ARG CD C 13 43.858 0.073 . 1 . . . . 106 ARG CD . 27017 1 1299 . 1 1 106 106 ARG N N 15 118.001 0.043 . 1 . . . . 106 ARG N . 27017 1 1300 . 1 1 106 106 ARG NE N 15 84.473 0.017 . 1 . . . . 106 ARG NE . 27017 1 1301 . 1 1 107 107 HIS H H 1 7.799 0.004 . 1 . . . . 107 HIS H . 27017 1 1302 . 1 1 107 107 HIS HA H 1 4.263 0.008 . 1 . . . . 107 HIS HA . 27017 1 1303 . 1 1 107 107 HIS HB2 H 1 3.264 0.009 . 2 . . . . 107 HIS HB2 . 27017 1 1304 . 1 1 107 107 HIS HB3 H 1 3.317 0.016 . 2 . . . . 107 HIS HB3 . 27017 1 1305 . 1 1 107 107 HIS HD2 H 1 6.940 0.008 . 1 . . . . 107 HIS HD2 . 27017 1 1306 . 1 1 107 107 HIS HE1 H 1 7.891 0.014 . 1 . . . . 107 HIS HE1 . 27017 1 1307 . 1 1 107 107 HIS C C 13 178.055 0.002 . 1 . . . . 107 HIS C . 27017 1 1308 . 1 1 107 107 HIS CA C 13 59.985 0.078 . 1 . . . . 107 HIS CA . 27017 1 1309 . 1 1 107 107 HIS CB C 13 31.007 0.066 . 1 . . . . 107 HIS CB . 27017 1 1310 . 1 1 107 107 HIS CD2 C 13 118.861 0.113 . 1 . . . . 107 HIS CD2 . 27017 1 1311 . 1 1 107 107 HIS CE1 C 13 138.553 0.036 . 1 . . . . 107 HIS CE1 . 27017 1 1312 . 1 1 107 107 HIS N N 15 118.839 0.068 . 1 . . . . 107 HIS N . 27017 1 1313 . 1 1 108 108 VAL H H 1 8.257 0.004 . 1 . . . . 108 VAL H . 27017 1 1314 . 1 1 108 108 VAL HA H 1 3.432 0.009 . 1 . . . . 108 VAL HA . 27017 1 1315 . 1 1 108 108 VAL HB H 1 1.859 0.013 . 1 . . . . 108 VAL HB . 27017 1 1316 . 1 1 108 108 VAL HG11 H 1 -0.006 0.003 . 2 . . . . 108 VAL HG11 . 27017 1 1317 . 1 1 108 108 VAL HG12 H 1 -0.006 0.003 . 2 . . . . 108 VAL HG12 . 27017 1 1318 . 1 1 108 108 VAL HG13 H 1 -0.006 0.003 . 2 . . . . 108 VAL HG13 . 27017 1 1319 . 1 1 108 108 VAL HG21 H 1 0.916 0.002 . 2 . . . . 108 VAL HG21 . 27017 1 1320 . 1 1 108 108 VAL HG22 H 1 0.916 0.002 . 2 . . . . 108 VAL HG22 . 27017 1 1321 . 1 1 108 108 VAL HG23 H 1 0.916 0.002 . 2 . . . . 108 VAL HG23 . 27017 1 1322 . 1 1 108 108 VAL C C 13 177.998 0.048 . 1 . . . . 108 VAL C . 27017 1 1323 . 1 1 108 108 VAL CA C 13 66.906 0.069 . 1 . . . . 108 VAL CA . 27017 1 1324 . 1 1 108 108 VAL CB C 13 31.403 0.111 . 1 . . . . 108 VAL CB . 27017 1 1325 . 1 1 108 108 VAL CG1 C 13 20.685 0.055 . 2 . . . . 108 VAL CG1 . 27017 1 1326 . 1 1 108 108 VAL CG2 C 13 23.752 0.075 . 2 . . . . 108 VAL CG2 . 27017 1 1327 . 1 1 108 108 VAL N N 15 119.260 0.057 . 1 . . . . 108 VAL N . 27017 1 1328 . 1 1 109 109 MET H H 1 8.566 0.004 . 1 . . . . 109 MET H . 27017 1 1329 . 1 1 109 109 MET HA H 1 4.244 0.003 . 1 . . . . 109 MET HA . 27017 1 1330 . 1 1 109 109 MET HB2 H 1 1.946 0.007 . 2 . . . . 109 MET HB2 . 27017 1 1331 . 1 1 109 109 MET HB3 H 1 2.328 0.010 . 2 . . . . 109 MET HB3 . 27017 1 1332 . 1 1 109 109 MET HG2 H 1 2.677 0.020 . 2 . . . . 109 MET HG2 . 27017 1 1333 . 1 1 109 109 MET HG3 H 1 2.829 0.012 . 2 . . . . 109 MET HG3 . 27017 1 1334 . 1 1 109 109 MET HE1 H 1 2.010 0.000 . 1 . . . . 109 MET HE1 . 27017 1 1335 . 1 1 109 109 MET HE2 H 1 2.010 0.000 . 1 . . . . 109 MET HE2 . 27017 1 1336 . 1 1 109 109 MET HE3 H 1 2.010 0.000 . 1 . . . . 109 MET HE3 . 27017 1 1337 . 1 1 109 109 MET C C 13 179.105 0.066 . 1 . . . . 109 MET C . 27017 1 1338 . 1 1 109 109 MET CA C 13 57.829 0.053 . 1 . . . . 109 MET CA . 27017 1 1339 . 1 1 109 109 MET CB C 13 30.688 0.111 . 1 . . . . 109 MET CB . 27017 1 1340 . 1 1 109 109 MET CG C 13 33.930 0.104 . 1 . . . . 109 MET CG . 27017 1 1341 . 1 1 109 109 MET CE C 13 18.415 0.000 . 1 . . . . 109 MET CE . 27017 1 1342 . 1 1 109 109 MET N N 15 116.436 0.034 . 1 . . . . 109 MET N . 27017 1 1343 . 1 1 110 110 THR H H 1 7.897 0.006 . 1 . . . . 110 THR H . 27017 1 1344 . 1 1 110 110 THR HA H 1 4.034 0.007 . 1 . . . . 110 THR HA . 27017 1 1345 . 1 1 110 110 THR HB H 1 4.231 0.004 . 1 . . . . 110 THR HB . 27017 1 1346 . 1 1 110 110 THR HG21 H 1 1.199 0.001 . 1 . . . . 110 THR HG21 . 27017 1 1347 . 1 1 110 110 THR HG22 H 1 1.199 0.001 . 1 . . . . 110 THR HG22 . 27017 1 1348 . 1 1 110 110 THR HG23 H 1 1.199 0.001 . 1 . . . . 110 THR HG23 . 27017 1 1349 . 1 1 110 110 THR C C 13 178.219 0.011 . 1 . . . . 110 THR C . 27017 1 1350 . 1 1 110 110 THR CA C 13 66.792 0.100 . 1 . . . . 110 THR CA . 27017 1 1351 . 1 1 110 110 THR CB C 13 68.521 0.078 . 1 . . . . 110 THR CB . 27017 1 1352 . 1 1 110 110 THR CG2 C 13 21.417 0.105 . 1 . . . . 110 THR CG2 . 27017 1 1353 . 1 1 110 110 THR N N 15 115.474 0.037 . 1 . . . . 110 THR N . 27017 1 1354 . 1 1 111 111 ASN H H 1 7.514 0.004 . 1 . . . . 111 ASN H . 27017 1 1355 . 1 1 111 111 ASN HA H 1 4.522 0.002 . 1 . . . . 111 ASN HA . 27017 1 1356 . 1 1 111 111 ASN HB2 H 1 2.601 0.010 . 2 . . . . 111 ASN HB2 . 27017 1 1357 . 1 1 111 111 ASN HB3 H 1 2.613 0.008 . 2 . . . . 111 ASN HB3 . 27017 1 1358 . 1 1 111 111 ASN HD21 H 1 6.449 0.007 . 1 . . . . 111 ASN HD21 . 27017 1 1359 . 1 1 111 111 ASN HD22 H 1 6.843 0.000 . 1 . . . . 111 ASN HD22 . 27017 1 1360 . 1 1 111 111 ASN C C 13 175.435 0.020 . 1 . . . . 111 ASN C . 27017 1 1361 . 1 1 111 111 ASN CA C 13 56.053 0.050 . 1 . . . . 111 ASN CA . 27017 1 1362 . 1 1 111 111 ASN CB C 13 38.329 0.076 . 1 . . . . 111 ASN CB . 27017 1 1363 . 1 1 111 111 ASN CG C 13 175.809 0.020 . 1 . . . . 111 ASN CG . 27017 1 1364 . 1 1 111 111 ASN N N 15 122.222 0.036 . 1 . . . . 111 ASN N . 27017 1 1365 . 1 1 111 111 ASN ND2 N 15 112.200 0.065 . 1 . . . . 111 ASN ND2 . 27017 1 1366 . 1 1 112 112 LEU H H 1 7.908 0.003 . 1 . . . . 112 LEU H . 27017 1 1367 . 1 1 112 112 LEU HA H 1 4.405 0.006 . 1 . . . . 112 LEU HA . 27017 1 1368 . 1 1 112 112 LEU HB2 H 1 1.765 0.011 . 2 . . . . 112 LEU HB2 . 27017 1 1369 . 1 1 112 112 LEU HB3 H 1 1.921 0.016 . 2 . . . . 112 LEU HB3 . 27017 1 1370 . 1 1 112 112 LEU HG H 1 1.928 0.010 . 1 . . . . 112 LEU HG . 27017 1 1371 . 1 1 112 112 LEU HD11 H 1 0.742 0.003 . 2 . . . . 112 LEU HD11 . 27017 1 1372 . 1 1 112 112 LEU HD12 H 1 0.742 0.003 . 2 . . . . 112 LEU HD12 . 27017 1 1373 . 1 1 112 112 LEU HD13 H 1 0.742 0.003 . 2 . . . . 112 LEU HD13 . 27017 1 1374 . 1 1 112 112 LEU HD21 H 1 0.803 0.003 . 2 . . . . 112 LEU HD21 . 27017 1 1375 . 1 1 112 112 LEU HD22 H 1 0.803 0.003 . 2 . . . . 112 LEU HD22 . 27017 1 1376 . 1 1 112 112 LEU HD23 H 1 0.803 0.003 . 2 . . . . 112 LEU HD23 . 27017 1 1377 . 1 1 112 112 LEU C C 13 176.542 0.013 . 1 . . . . 112 LEU C . 27017 1 1378 . 1 1 112 112 LEU CA C 13 54.415 0.066 . 1 . . . . 112 LEU CA . 27017 1 1379 . 1 1 112 112 LEU CB C 13 41.210 0.061 . 1 . . . . 112 LEU CB . 27017 1 1380 . 1 1 112 112 LEU CG C 13 26.345 0.025 . 1 . . . . 112 LEU CG . 27017 1 1381 . 1 1 112 112 LEU CD1 C 13 23.629 0.035 . 2 . . . . 112 LEU CD1 . 27017 1 1382 . 1 1 112 112 LEU CD2 C 13 25.529 0.059 . 2 . . . . 112 LEU CD2 . 27017 1 1383 . 1 1 112 112 LEU N N 15 118.584 0.036 . 1 . . . . 112 LEU N . 27017 1 1384 . 1 1 113 113 GLY H H 1 7.879 0.007 . 1 . . . . 113 GLY H . 27017 1 1385 . 1 1 113 113 GLY HA2 H 1 3.776 0.010 . 2 . . . . 113 GLY HA2 . 27017 1 1386 . 1 1 113 113 GLY HA3 H 1 3.989 0.010 . 2 . . . . 113 GLY HA3 . 27017 1 1387 . 1 1 113 113 GLY C C 13 174.158 0.000 . 1 . . . . 113 GLY C . 27017 1 1388 . 1 1 113 113 GLY CA C 13 46.043 0.066 . 1 . . . . 113 GLY CA . 27017 1 1389 . 1 1 113 113 GLY N N 15 108.247 0.028 . 1 . . . . 113 GLY N . 27017 1 1390 . 1 1 114 114 GLU H H 1 7.786 0.003 . 1 . . . . 114 GLU H . 27017 1 1391 . 1 1 114 114 GLU HA H 1 4.319 0.004 . 1 . . . . 114 GLU HA . 27017 1 1392 . 1 1 114 114 GLU HB2 H 1 1.685 0.012 . 2 . . . . 114 GLU HB2 . 27017 1 1393 . 1 1 114 114 GLU HB3 H 1 1.971 0.006 . 2 . . . . 114 GLU HB3 . 27017 1 1394 . 1 1 114 114 GLU HG2 H 1 1.793 0.011 . 1 . . . . 114 GLU HG2 . 27017 1 1395 . 1 1 114 114 GLU C C 13 175.200 0.019 . 1 . . . . 114 GLU C . 27017 1 1396 . 1 1 114 114 GLU CA C 13 54.122 0.056 . 1 . . . . 114 GLU CA . 27017 1 1397 . 1 1 114 114 GLU CB C 13 30.537 0.060 . 1 . . . . 114 GLU CB . 27017 1 1398 . 1 1 114 114 GLU CG C 13 35.950 0.053 . 1 . . . . 114 GLU CG . 27017 1 1399 . 1 1 114 114 GLU N N 15 118.278 0.023 . 1 . . . . 114 GLU N . 27017 1 1400 . 1 1 115 115 LYS H H 1 8.868 0.004 . 1 . . . . 115 LYS H . 27017 1 1401 . 1 1 115 115 LYS HA H 1 4.433 0.004 . 1 . . . . 115 LYS HA . 27017 1 1402 . 1 1 115 115 LYS HB2 H 1 1.591 0.008 . 2 . . . . 115 LYS HB2 . 27017 1 1403 . 1 1 115 115 LYS HB3 H 1 1.775 0.004 . 2 . . . . 115 LYS HB3 . 27017 1 1404 . 1 1 115 115 LYS HG2 H 1 1.277 0.011 . 2 . . . . 115 LYS HG2 . 27017 1 1405 . 1 1 115 115 LYS HG3 H 1 1.321 0.009 . 2 . . . . 115 LYS HG3 . 27017 1 1406 . 1 1 115 115 LYS HD2 H 1 1.634 0.010 . 2 . . . . 115 LYS HD2 . 27017 1 1407 . 1 1 115 115 LYS HD3 H 1 1.632 0.011 . 2 . . . . 115 LYS HD3 . 27017 1 1408 . 1 1 115 115 LYS HE2 H 1 2.941 0.002 . 1 . . . . 115 LYS HE2 . 27017 1 1409 . 1 1 115 115 LYS HE3 H 1 2.941 0.002 . 1 . . . . 115 LYS HE3 . 27017 1 1410 . 1 1 115 115 LYS C C 13 175.382 0.007 . 1 . . . . 115 LYS C . 27017 1 1411 . 1 1 115 115 LYS CA C 13 55.044 0.056 . 1 . . . . 115 LYS CA . 27017 1 1412 . 1 1 115 115 LYS CB C 13 31.802 0.064 . 1 . . . . 115 LYS CB . 27017 1 1413 . 1 1 115 115 LYS CG C 13 24.465 0.070 . 1 . . . . 115 LYS CG . 27017 1 1414 . 1 1 115 115 LYS CD C 13 29.061 0.067 . 1 . . . . 115 LYS CD . 27017 1 1415 . 1 1 115 115 LYS CE C 13 41.982 0.082 . 1 . . . . 115 LYS CE . 27017 1 1416 . 1 1 115 115 LYS N N 15 125.734 0.022 . 1 . . . . 115 LYS N . 27017 1 1417 . 1 1 116 116 LEU H H 1 8.266 0.003 . 1 . . . . 116 LEU H . 27017 1 1418 . 1 1 116 116 LEU HA H 1 4.764 0.006 . 1 . . . . 116 LEU HA . 27017 1 1419 . 1 1 116 116 LEU HB2 H 1 1.484 0.014 . 2 . . . . 116 LEU HB2 . 27017 1 1420 . 1 1 116 116 LEU HB3 H 1 1.573 0.008 . 2 . . . . 116 LEU HB3 . 27017 1 1421 . 1 1 116 116 LEU HG H 1 1.649 0.006 . 1 . . . . 116 LEU HG . 27017 1 1422 . 1 1 116 116 LEU HD11 H 1 0.797 0.005 . 2 . . . . 116 LEU HD11 . 27017 1 1423 . 1 1 116 116 LEU HD12 H 1 0.797 0.005 . 2 . . . . 116 LEU HD12 . 27017 1 1424 . 1 1 116 116 LEU HD13 H 1 0.797 0.005 . 2 . . . . 116 LEU HD13 . 27017 1 1425 . 1 1 116 116 LEU HD21 H 1 0.796 0.003 . 2 . . . . 116 LEU HD21 . 27017 1 1426 . 1 1 116 116 LEU HD22 H 1 0.796 0.003 . 2 . . . . 116 LEU HD22 . 27017 1 1427 . 1 1 116 116 LEU HD23 H 1 0.796 0.003 . 2 . . . . 116 LEU HD23 . 27017 1 1428 . 1 1 116 116 LEU C C 13 178.454 0.024 . 1 . . . . 116 LEU C . 27017 1 1429 . 1 1 116 116 LEU CA C 13 54.034 0.096 . 1 . . . . 116 LEU CA . 27017 1 1430 . 1 1 116 116 LEU CB C 13 44.046 0.052 . 1 . . . . 116 LEU CB . 27017 1 1431 . 1 1 116 116 LEU CG C 13 27.968 0.039 . 1 . . . . 116 LEU CG . 27017 1 1432 . 1 1 116 116 LEU CD1 C 13 26.566 0.032 . 2 . . . . 116 LEU CD1 . 27017 1 1433 . 1 1 116 116 LEU CD2 C 13 23.522 0.098 . 2 . . . . 116 LEU CD2 . 27017 1 1434 . 1 1 116 116 LEU N N 15 124.950 0.027 . 1 . . . . 116 LEU N . 27017 1 1435 . 1 1 117 117 THR H H 1 9.395 0.004 . 1 . . . . 117 THR H . 27017 1 1436 . 1 1 117 117 THR HA H 1 4.434 0.005 . 1 . . . . 117 THR HA . 27017 1 1437 . 1 1 117 117 THR HB H 1 4.740 0.005 . 1 . . . . 117 THR HB . 27017 1 1438 . 1 1 117 117 THR HG21 H 1 1.336 0.014 . 1 . . . . 117 THR HG21 . 27017 1 1439 . 1 1 117 117 THR HG22 H 1 1.336 0.014 . 1 . . . . 117 THR HG22 . 27017 1 1440 . 1 1 117 117 THR HG23 H 1 1.336 0.014 . 1 . . . . 117 THR HG23 . 27017 1 1441 . 1 1 117 117 THR C C 13 175.474 0.019 . 1 . . . . 117 THR C . 27017 1 1442 . 1 1 117 117 THR CA C 13 60.724 0.092 . 1 . . . . 117 THR CA . 27017 1 1443 . 1 1 117 117 THR CB C 13 70.767 0.039 . 1 . . . . 117 THR CB . 27017 1 1444 . 1 1 117 117 THR CG2 C 13 21.599 0.046 . 1 . . . . 117 THR CG2 . 27017 1 1445 . 1 1 117 117 THR N N 15 115.451 0.040 . 1 . . . . 117 THR N . 27017 1 1446 . 1 1 118 118 ASP H H 1 8.917 0.002 . 1 . . . . 118 ASP H . 27017 1 1447 . 1 1 118 118 ASP HA H 1 4.251 0.003 . 1 . . . . 118 ASP HA . 27017 1 1448 . 1 1 118 118 ASP HB2 H 1 2.632 0.006 . 2 . . . . 118 ASP HB2 . 27017 1 1449 . 1 1 118 118 ASP HB3 H 1 2.791 0.004 . 2 . . . . 118 ASP HB3 . 27017 1 1450 . 1 1 118 118 ASP C C 13 178.795 0.002 . 1 . . . . 118 ASP C . 27017 1 1451 . 1 1 118 118 ASP CA C 13 58.225 0.111 . 1 . . . . 118 ASP CA . 27017 1 1452 . 1 1 118 118 ASP CB C 13 39.422 0.024 . 1 . . . . 118 ASP CB . 27017 1 1453 . 1 1 118 118 ASP N N 15 121.237 0.020 . 1 . . . . 118 ASP N . 27017 1 1454 . 1 1 119 119 ASP H H 1 8.292 0.002 . 1 . . . . 119 ASP H . 27017 1 1455 . 1 1 119 119 ASP HA H 1 4.426 0.003 . 1 . . . . 119 ASP HA . 27017 1 1456 . 1 1 119 119 ASP HB2 H 1 2.545 0.004 . 2 . . . . 119 ASP HB2 . 27017 1 1457 . 1 1 119 119 ASP HB3 H 1 2.682 0.006 . 2 . . . . 119 ASP HB3 . 27017 1 1458 . 1 1 119 119 ASP C C 13 178.684 0.017 . 1 . . . . 119 ASP C . 27017 1 1459 . 1 1 119 119 ASP CA C 13 57.181 0.048 . 1 . . . . 119 ASP CA . 27017 1 1460 . 1 1 119 119 ASP CB C 13 40.352 0.057 . 1 . . . . 119 ASP CB . 27017 1 1461 . 1 1 119 119 ASP N N 15 118.259 0.021 . 1 . . . . 119 ASP N . 27017 1 1462 . 1 1 120 120 GLU H H 1 7.765 0.002 . 1 . . . . 120 GLU H . 27017 1 1463 . 1 1 120 120 GLU HA H 1 3.998 0.009 . 1 . . . . 120 GLU HA . 27017 1 1464 . 1 1 120 120 GLU HB2 H 1 1.855 0.006 . 2 . . . . 120 GLU HB2 . 27017 1 1465 . 1 1 120 120 GLU HB3 H 1 2.079 0.009 . 2 . . . . 120 GLU HB3 . 27017 1 1466 . 1 1 120 120 GLU HG2 H 1 2.062 0.005 . 2 . . . . 120 GLU HG2 . 27017 1 1467 . 1 1 120 120 GLU HG3 H 1 2.287 0.002 . 2 . . . . 120 GLU HG3 . 27017 1 1468 . 1 1 120 120 GLU C C 13 180.017 0.008 . 1 . . . . 120 GLU C . 27017 1 1469 . 1 1 120 120 GLU CA C 13 59.264 0.016 . 1 . . . . 120 GLU CA . 27017 1 1470 . 1 1 120 120 GLU CB C 13 30.239 0.061 . 1 . . . . 120 GLU CB . 27017 1 1471 . 1 1 120 120 GLU CG C 13 38.058 0.096 . 1 . . . . 120 GLU CG . 27017 1 1472 . 1 1 120 120 GLU N N 15 121.364 0.037 . 1 . . . . 120 GLU N . 27017 1 1473 . 1 1 121 121 VAL H H 1 8.198 0.008 . 1 . . . . 121 VAL H . 27017 1 1474 . 1 1 121 121 VAL HA H 1 3.528 0.005 . 1 . . . . 121 VAL HA . 27017 1 1475 . 1 1 121 121 VAL HB H 1 2.247 0.009 . 1 . . . . 121 VAL HB . 27017 1 1476 . 1 1 121 121 VAL HG11 H 1 0.974 0.004 . 2 . . . . 121 VAL HG11 . 27017 1 1477 . 1 1 121 121 VAL HG12 H 1 0.974 0.004 . 2 . . . . 121 VAL HG12 . 27017 1 1478 . 1 1 121 121 VAL HG13 H 1 0.974 0.004 . 2 . . . . 121 VAL HG13 . 27017 1 1479 . 1 1 121 121 VAL HG21 H 1 0.988 0.009 . 2 . . . . 121 VAL HG21 . 27017 1 1480 . 1 1 121 121 VAL HG22 H 1 0.988 0.009 . 2 . . . . 121 VAL HG22 . 27017 1 1481 . 1 1 121 121 VAL HG23 H 1 0.988 0.009 . 2 . . . . 121 VAL HG23 . 27017 1 1482 . 1 1 121 121 VAL C C 13 177.212 0.026 . 1 . . . . 121 VAL C . 27017 1 1483 . 1 1 121 121 VAL CA C 13 67.238 0.089 . 1 . . . . 121 VAL CA . 27017 1 1484 . 1 1 121 121 VAL CB C 13 31.446 0.107 . 1 . . . . 121 VAL CB . 27017 1 1485 . 1 1 121 121 VAL CG1 C 13 23.986 0.079 . 2 . . . . 121 VAL CG1 . 27017 1 1486 . 1 1 121 121 VAL CG2 C 13 21.900 0.008 . 2 . . . . 121 VAL CG2 . 27017 1 1487 . 1 1 121 121 VAL N N 15 121.914 0.041 . 1 . . . . 121 VAL N . 27017 1 1488 . 1 1 122 122 ASP H H 1 7.940 0.003 . 1 . . . . 122 ASP H . 27017 1 1489 . 1 1 122 122 ASP HA H 1 4.353 0.002 . 1 . . . . 122 ASP HA . 27017 1 1490 . 1 1 122 122 ASP HB2 H 1 2.655 0.002 . 2 . . . . 122 ASP HB2 . 27017 1 1491 . 1 1 122 122 ASP HB3 H 1 2.830 0.006 . 2 . . . . 122 ASP HB3 . 27017 1 1492 . 1 1 122 122 ASP C C 13 179.132 0.003 . 1 . . . . 122 ASP C . 27017 1 1493 . 1 1 122 122 ASP CA C 13 57.661 0.057 . 1 . . . . 122 ASP CA . 27017 1 1494 . 1 1 122 122 ASP CB C 13 40.417 0.064 . 1 . . . . 122 ASP CB . 27017 1 1495 . 1 1 122 122 ASP N N 15 119.200 0.033 . 1 . . . . 122 ASP N . 27017 1 1496 . 1 1 123 123 GLU H H 1 8.101 0.004 . 1 . . . . 123 GLU H . 27017 1 1497 . 1 1 123 123 GLU HA H 1 4.010 0.004 . 1 . . . . 123 GLU HA . 27017 1 1498 . 1 1 123 123 GLU HB2 H 1 2.103 0.011 . 1 . . . . 123 GLU HB2 . 27017 1 1499 . 1 1 123 123 GLU HG2 H 1 2.292 0.006 . 1 . . . . 123 GLU HG2 . 27017 1 1500 . 1 1 123 123 GLU C C 13 177.777 0.030 . 1 . . . . 123 GLU C . 27017 1 1501 . 1 1 123 123 GLU CA C 13 59.176 0.056 . 1 . . . . 123 GLU CA . 27017 1 1502 . 1 1 123 123 GLU CB C 13 29.490 0.035 . 1 . . . . 123 GLU CB . 27017 1 1503 . 1 1 123 123 GLU CG C 13 35.828 0.033 . 1 . . . . 123 GLU CG . 27017 1 1504 . 1 1 123 123 GLU N N 15 120.208 0.036 . 1 . . . . 123 GLU N . 27017 1 1505 . 1 1 124 124 MET H H 1 7.835 0.003 . 1 . . . . 124 MET H . 27017 1 1506 . 1 1 124 124 MET HA H 1 4.047 0.004 . 1 . . . . 124 MET HA . 27017 1 1507 . 1 1 124 124 MET HB2 H 1 2.083 0.008 . 2 . . . . 124 MET HB2 . 27017 1 1508 . 1 1 124 124 MET HB3 H 1 2.217 0.007 . 2 . . . . 124 MET HB3 . 27017 1 1509 . 1 1 124 124 MET HG2 H 1 2.330 0.007 . 2 . . . . 124 MET HG2 . 27017 1 1510 . 1 1 124 124 MET HG3 H 1 2.710 0.003 . 2 . . . . 124 MET HG3 . 27017 1 1511 . 1 1 124 124 MET HE1 H 1 2.014 0.000 . 1 . . . . 124 MET HE1 . 27017 1 1512 . 1 1 124 124 MET HE2 H 1 2.014 0.000 . 1 . . . . 124 MET HE2 . 27017 1 1513 . 1 1 124 124 MET HE3 H 1 2.014 0.000 . 1 . . . . 124 MET HE3 . 27017 1 1514 . 1 1 124 124 MET C C 13 179.328 0.001 . 1 . . . . 124 MET C . 27017 1 1515 . 1 1 124 124 MET CA C 13 59.485 0.063 . 1 . . . . 124 MET CA . 27017 1 1516 . 1 1 124 124 MET CB C 13 32.853 0.121 . 1 . . . . 124 MET CB . 27017 1 1517 . 1 1 124 124 MET CG C 13 32.428 0.045 . 1 . . . . 124 MET CG . 27017 1 1518 . 1 1 124 124 MET CE C 13 16.730 0.000 . 1 . . . . 124 MET CE . 27017 1 1519 . 1 1 124 124 MET N N 15 120.008 0.044 . 1 . . . . 124 MET N . 27017 1 1520 . 1 1 125 125 ILE H H 1 7.923 0.006 . 1 . . . . 125 ILE H . 27017 1 1521 . 1 1 125 125 ILE HA H 1 3.500 0.004 . 1 . . . . 125 ILE HA . 27017 1 1522 . 1 1 125 125 ILE HB H 1 2.044 0.010 . 1 . . . . 125 ILE HB . 27017 1 1523 . 1 1 125 125 ILE HG12 H 1 1.021 0.010 . 2 . . . . 125 ILE HG12 . 27017 1 1524 . 1 1 125 125 ILE HG13 H 1 1.689 0.005 . 2 . . . . 125 ILE HG13 . 27017 1 1525 . 1 1 125 125 ILE HG21 H 1 0.671 0.003 . 1 . . . . 125 ILE HG21 . 27017 1 1526 . 1 1 125 125 ILE HG22 H 1 0.671 0.003 . 1 . . . . 125 ILE HG22 . 27017 1 1527 . 1 1 125 125 ILE HG23 H 1 0.671 0.003 . 1 . . . . 125 ILE HG23 . 27017 1 1528 . 1 1 125 125 ILE HD11 H 1 0.756 0.005 . 1 . . . . 125 ILE HD11 . 27017 1 1529 . 1 1 125 125 ILE HD12 H 1 0.756 0.005 . 1 . . . . 125 ILE HD12 . 27017 1 1530 . 1 1 125 125 ILE HD13 H 1 0.756 0.005 . 1 . . . . 125 ILE HD13 . 27017 1 1531 . 1 1 125 125 ILE C C 13 177.003 0.027 . 1 . . . . 125 ILE C . 27017 1 1532 . 1 1 125 125 ILE CA C 13 65.055 0.016 . 1 . . . . 125 ILE CA . 27017 1 1533 . 1 1 125 125 ILE CB C 13 36.863 0.084 . 1 . . . . 125 ILE CB . 27017 1 1534 . 1 1 125 125 ILE CG1 C 13 28.836 0.131 . 1 . . . . 125 ILE CG1 . 27017 1 1535 . 1 1 125 125 ILE CG2 C 13 16.242 0.036 . 1 . . . . 125 ILE CG2 . 27017 1 1536 . 1 1 125 125 ILE CD1 C 13 11.775 0.039 . 1 . . . . 125 ILE CD1 . 27017 1 1537 . 1 1 125 125 ILE N N 15 118.004 0.044 . 1 . . . . 125 ILE N . 27017 1 1538 . 1 1 126 126 ARG H H 1 8.402 0.004 . 1 . . . . 126 ARG H . 27017 1 1539 . 1 1 126 126 ARG HA H 1 4.012 0.004 . 1 . . . . 126 ARG HA . 27017 1 1540 . 1 1 126 126 ARG HB2 H 1 1.884 0.006 . 2 . . . . 126 ARG HB2 . 27017 1 1541 . 1 1 126 126 ARG HB3 H 1 1.947 0.002 . 2 . . . . 126 ARG HB3 . 27017 1 1542 . 1 1 126 126 ARG HG2 H 1 1.631 0.005 . 2 . . . . 126 ARG HG2 . 27017 1 1543 . 1 1 126 126 ARG HG3 H 1 1.781 0.006 . 2 . . . . 126 ARG HG3 . 27017 1 1544 . 1 1 126 126 ARG HD2 H 1 3.233 0.002 . 2 . . . . 126 ARG HD2 . 27017 1 1545 . 1 1 126 126 ARG HD3 H 1 3.234 0.003 . 2 . . . . 126 ARG HD3 . 27017 1 1546 . 1 1 126 126 ARG HE H 1 7.537 0.001 . 1 . . . . 126 ARG HE . 27017 1 1547 . 1 1 126 126 ARG C C 13 179.379 0.022 . 1 . . . . 126 ARG C . 27017 1 1548 . 1 1 126 126 ARG CA C 13 59.877 0.043 . 1 . . . . 126 ARG CA . 27017 1 1549 . 1 1 126 126 ARG CB C 13 30.266 0.049 . 1 . . . . 126 ARG CB . 27017 1 1550 . 1 1 126 126 ARG CG C 13 27.884 0.095 . 1 . . . . 126 ARG CG . 27017 1 1551 . 1 1 126 126 ARG CD C 13 43.319 0.068 . 1 . . . . 126 ARG CD . 27017 1 1552 . 1 1 126 126 ARG N N 15 118.644 0.034 . 1 . . . . 126 ARG N . 27017 1 1553 . 1 1 126 126 ARG NE N 15 84.376 0.007 . 1 . . . . 126 ARG NE . 27017 1 1554 . 1 1 127 127 GLU H H 1 7.990 0.004 . 1 . . . . 127 GLU H . 27017 1 1555 . 1 1 127 127 GLU HA H 1 3.987 0.004 . 1 . . . . 127 GLU HA . 27017 1 1556 . 1 1 127 127 GLU HB2 H 1 2.043 0.003 . 2 . . . . 127 GLU HB2 . 27017 1 1557 . 1 1 127 127 GLU HB3 H 1 2.065 0.001 . 2 . . . . 127 GLU HB3 . 27017 1 1558 . 1 1 127 127 GLU HG2 H 1 2.266 0.004 . 2 . . . . 127 GLU HG2 . 27017 1 1559 . 1 1 127 127 GLU HG3 H 1 2.451 0.003 . 2 . . . . 127 GLU HG3 . 27017 1 1560 . 1 1 127 127 GLU C C 13 177.172 0.006 . 1 . . . . 127 GLU C . 27017 1 1561 . 1 1 127 127 GLU CA C 13 58.610 0.081 . 1 . . . . 127 GLU CA . 27017 1 1562 . 1 1 127 127 GLU CB C 13 29.660 0.090 . 1 . . . . 127 GLU CB . 27017 1 1563 . 1 1 127 127 GLU CG C 13 36.427 0.036 . 1 . . . . 127 GLU CG . 27017 1 1564 . 1 1 127 127 GLU N N 15 115.568 0.027 . 1 . . . . 127 GLU N . 27017 1 1565 . 1 1 128 128 ALA H H 1 7.238 0.005 . 1 . . . . 128 ALA H . 27017 1 1566 . 1 1 128 128 ALA HA H 1 4.490 0.003 . 1 . . . . 128 ALA HA . 27017 1 1567 . 1 1 128 128 ALA HB1 H 1 1.400 0.001 . 1 . . . . 128 ALA HB1 . 27017 1 1568 . 1 1 128 128 ALA HB2 H 1 1.400 0.001 . 1 . . . . 128 ALA HB2 . 27017 1 1569 . 1 1 128 128 ALA HB3 H 1 1.400 0.001 . 1 . . . . 128 ALA HB3 . 27017 1 1570 . 1 1 128 128 ALA C C 13 177.925 0.019 . 1 . . . . 128 ALA C . 27017 1 1571 . 1 1 128 128 ALA CA C 13 51.845 0.050 . 1 . . . . 128 ALA CA . 27017 1 1572 . 1 1 128 128 ALA CB C 13 20.883 0.110 . 1 . . . . 128 ALA CB . 27017 1 1573 . 1 1 128 128 ALA N N 15 118.685 0.023 . 1 . . . . 128 ALA N . 27017 1 1574 . 1 1 129 129 ASP H H 1 8.043 0.003 . 1 . . . . 129 ASP H . 27017 1 1575 . 1 1 129 129 ASP HA H 1 4.480 0.006 . 1 . . . . 129 ASP HA . 27017 1 1576 . 1 1 129 129 ASP HB2 H 1 2.552 0.006 . 2 . . . . 129 ASP HB2 . 27017 1 1577 . 1 1 129 129 ASP HB3 H 1 2.850 0.017 . 2 . . . . 129 ASP HB3 . 27017 1 1578 . 1 1 129 129 ASP C C 13 176.003 0.013 . 1 . . . . 129 ASP C . 27017 1 1579 . 1 1 129 129 ASP CA C 13 54.301 0.055 . 1 . . . . 129 ASP CA . 27017 1 1580 . 1 1 129 129 ASP CB C 13 40.409 0.027 . 1 . . . . 129 ASP CB . 27017 1 1581 . 1 1 129 129 ASP N N 15 118.364 0.052 . 1 . . . . 129 ASP N . 27017 1 1582 . 1 1 130 130 ILE H H 1 8.424 0.005 . 1 . . . . 130 ILE H . 27017 1 1583 . 1 1 130 130 ILE HA H 1 3.987 0.006 . 1 . . . . 130 ILE HA . 27017 1 1584 . 1 1 130 130 ILE HB H 1 2.055 0.006 . 1 . . . . 130 ILE HB . 27017 1 1585 . 1 1 130 130 ILE HG12 H 1 1.407 0.005 . 2 . . . . 130 ILE HG12 . 27017 1 1586 . 1 1 130 130 ILE HG13 H 1 1.627 0.006 . 2 . . . . 130 ILE HG13 . 27017 1 1587 . 1 1 130 130 ILE HG21 H 1 0.934 0.002 . 1 . . . . 130 ILE HG21 . 27017 1 1588 . 1 1 130 130 ILE HG22 H 1 0.934 0.002 . 1 . . . . 130 ILE HG22 . 27017 1 1589 . 1 1 130 130 ILE HG23 H 1 0.934 0.002 . 1 . . . . 130 ILE HG23 . 27017 1 1590 . 1 1 130 130 ILE HD11 H 1 0.854 0.002 . 1 . . . . 130 ILE HD11 . 27017 1 1591 . 1 1 130 130 ILE HD12 H 1 0.854 0.002 . 1 . . . . 130 ILE HD12 . 27017 1 1592 . 1 1 130 130 ILE HD13 H 1 0.854 0.002 . 1 . . . . 130 ILE HD13 . 27017 1 1593 . 1 1 130 130 ILE C C 13 177.772 0.025 . 1 . . . . 130 ILE C . 27017 1 1594 . 1 1 130 130 ILE CA C 13 62.822 0.061 . 1 . . . . 130 ILE CA . 27017 1 1595 . 1 1 130 130 ILE CB C 13 38.155 0.082 . 1 . . . . 130 ILE CB . 27017 1 1596 . 1 1 130 130 ILE CG1 C 13 27.594 0.098 . 1 . . . . 130 ILE CG1 . 27017 1 1597 . 1 1 130 130 ILE CG2 C 13 17.245 0.050 . 1 . . . . 130 ILE CG2 . 27017 1 1598 . 1 1 130 130 ILE CD1 C 13 11.664 0.059 . 1 . . . . 130 ILE CD1 . 27017 1 1599 . 1 1 130 130 ILE N N 15 127.497 0.033 . 1 . . . . 130 ILE N . 27017 1 1600 . 1 1 131 131 ASP H H 1 8.214 0.004 . 1 . . . . 131 ASP H . 27017 1 1601 . 1 1 131 131 ASP HA H 1 4.567 0.005 . 1 . . . . 131 ASP HA . 27017 1 1602 . 1 1 131 131 ASP HB2 H 1 2.638 0.008 . 2 . . . . 131 ASP HB2 . 27017 1 1603 . 1 1 131 131 ASP HB3 H 1 3.078 0.002 . 2 . . . . 131 ASP HB3 . 27017 1 1604 . 1 1 131 131 ASP C C 13 178.221 0.012 . 1 . . . . 131 ASP C . 27017 1 1605 . 1 1 131 131 ASP CA C 13 53.766 0.051 . 1 . . . . 131 ASP CA . 27017 1 1606 . 1 1 131 131 ASP CB C 13 39.987 0.086 . 1 . . . . 131 ASP CB . 27017 1 1607 . 1 1 131 131 ASP N N 15 117.009 0.046 . 1 . . . . 131 ASP N . 27017 1 1608 . 1 1 132 132 GLY H H 1 7.575 0.003 . 1 . . . . 132 GLY H . 27017 1 1609 . 1 1 132 132 GLY HA2 H 1 3.836 0.003 . 2 . . . . 132 GLY HA2 . 27017 1 1610 . 1 1 132 132 GLY HA3 H 1 4.012 0.011 . 2 . . . . 132 GLY HA3 . 27017 1 1611 . 1 1 132 132 GLY C C 13 175.337 0.000 . 1 . . . . 132 GLY C . 27017 1 1612 . 1 1 132 132 GLY CA C 13 47.504 0.085 . 1 . . . . 132 GLY CA . 27017 1 1613 . 1 1 132 132 GLY N N 15 108.743 0.018 . 1 . . . . 132 GLY N . 27017 1 1614 . 1 1 133 133 ASP H H 1 8.378 0.002 . 1 . . . . 133 ASP H . 27017 1 1615 . 1 1 133 133 ASP HA H 1 4.638 0.006 . 1 . . . . 133 ASP HA . 27017 1 1616 . 1 1 133 133 ASP HB2 H 1 2.529 0.010 . 2 . . . . 133 ASP HB2 . 27017 1 1617 . 1 1 133 133 ASP HB3 H 1 3.100 0.009 . 2 . . . . 133 ASP HB3 . 27017 1 1618 . 1 1 133 133 ASP C C 13 179.163 0.000 . 1 . . . . 133 ASP C . 27017 1 1619 . 1 1 133 133 ASP CA C 13 53.672 0.202 . 1 . . . . 133 ASP CA . 27017 1 1620 . 1 1 133 133 ASP CB C 13 40.389 0.097 . 1 . . . . 133 ASP CB . 27017 1 1621 . 1 1 133 133 ASP N N 15 121.026 0.014 . 1 . . . . 133 ASP N . 27017 1 1622 . 1 1 134 134 GLY H H 1 10.528 0.007 . 1 . . . . 134 GLY H . 27017 1 1623 . 1 1 134 134 GLY HA2 H 1 3.436 0.005 . 2 . . . . 134 GLY HA2 . 27017 1 1624 . 1 1 134 134 GLY HA3 H 1 4.010 0.009 . 2 . . . . 134 GLY HA3 . 27017 1 1625 . 1 1 134 134 GLY C C 13 172.361 0.000 . 1 . . . . 134 GLY C . 27017 1 1626 . 1 1 134 134 GLY CA C 13 46.130 0.076 . 1 . . . . 134 GLY CA . 27017 1 1627 . 1 1 134 134 GLY N N 15 115.536 0.037 . 1 . . . . 134 GLY N . 27017 1 1628 . 1 1 135 135 HIS H H 1 8.329 0.002 . 1 . . . . 135 HIS H . 27017 1 1629 . 1 1 135 135 HIS HA H 1 5.044 0.005 . 1 . . . . 135 HIS HA . 27017 1 1630 . 1 1 135 135 HIS HB2 H 1 2.736 0.016 . 2 . . . . 135 HIS HB2 . 27017 1 1631 . 1 1 135 135 HIS HB3 H 1 2.908 0.021 . 2 . . . . 135 HIS HB3 . 27017 1 1632 . 1 1 135 135 HIS HD2 H 1 7.036 0.005 . 1 . . . . 135 HIS HD2 . 27017 1 1633 . 1 1 135 135 HIS HE1 H 1 7.806 0.005 . 1 . . . . 135 HIS HE1 . 27017 1 1634 . 1 1 135 135 HIS C C 13 174.747 0.009 . 1 . . . . 135 HIS C . 27017 1 1635 . 1 1 135 135 HIS CA C 13 54.141 0.034 . 1 . . . . 135 HIS CA . 27017 1 1636 . 1 1 135 135 HIS CB C 13 34.723 0.163 . 1 . . . . 135 HIS CB . 27017 1 1637 . 1 1 135 135 HIS CD2 C 13 119.698 0.058 . 1 . . . . 135 HIS CD2 . 27017 1 1638 . 1 1 135 135 HIS CE1 C 13 139.706 0.000 . 1 . . . . 135 HIS CE1 . 27017 1 1639 . 1 1 135 135 HIS N N 15 116.296 0.012 . 1 . . . . 135 HIS N . 27017 1 1640 . 1 1 136 136 ILE H H 1 9.251 0.006 . 1 . . . . 136 ILE H . 27017 1 1641 . 1 1 136 136 ILE HA H 1 5.176 0.007 . 1 . . . . 136 ILE HA . 27017 1 1642 . 1 1 136 136 ILE HB H 1 2.058 0.009 . 1 . . . . 136 ILE HB . 27017 1 1643 . 1 1 136 136 ILE HG12 H 1 1.620 0.004 . 2 . . . . 136 ILE HG12 . 27017 1 1644 . 1 1 136 136 ILE HG13 H 1 0.926 0.006 . 2 . . . . 136 ILE HG13 . 27017 1 1645 . 1 1 136 136 ILE HG21 H 1 1.272 0.006 . 1 . . . . 136 ILE HG21 . 27017 1 1646 . 1 1 136 136 ILE HG22 H 1 1.272 0.006 . 1 . . . . 136 ILE HG22 . 27017 1 1647 . 1 1 136 136 ILE HG23 H 1 1.272 0.006 . 1 . . . . 136 ILE HG23 . 27017 1 1648 . 1 1 136 136 ILE HD11 H 1 0.786 0.007 . 1 . . . . 136 ILE HD11 . 27017 1 1649 . 1 1 136 136 ILE HD12 H 1 0.786 0.007 . 1 . . . . 136 ILE HD12 . 27017 1 1650 . 1 1 136 136 ILE HD13 H 1 0.786 0.007 . 1 . . . . 136 ILE HD13 . 27017 1 1651 . 1 1 136 136 ILE C C 13 176.028 0.007 . 1 . . . . 136 ILE C . 27017 1 1652 . 1 1 136 136 ILE CA C 13 60.170 0.110 . 1 . . . . 136 ILE CA . 27017 1 1653 . 1 1 136 136 ILE CB C 13 39.743 0.103 . 1 . . . . 136 ILE CB . 27017 1 1654 . 1 1 136 136 ILE CG1 C 13 27.104 0.068 . 1 . . . . 136 ILE CG1 . 27017 1 1655 . 1 1 136 136 ILE CG2 C 13 17.935 0.081 . 1 . . . . 136 ILE CG2 . 27017 1 1656 . 1 1 136 136 ILE CD1 C 13 13.142 0.108 . 1 . . . . 136 ILE CD1 . 27017 1 1657 . 1 1 136 136 ILE N N 15 124.645 0.044 . 1 . . . . 136 ILE N . 27017 1 1658 . 1 1 137 137 ASN H H 1 9.543 0.004 . 1 . . . . 137 ASN H . 27017 1 1659 . 1 1 137 137 ASN HA H 1 5.441 0.009 . 1 . . . . 137 ASN HA . 27017 1 1660 . 1 1 137 137 ASN HB2 H 1 3.221 0.004 . 2 . . . . 137 ASN HB2 . 27017 1 1661 . 1 1 137 137 ASN HB3 H 1 3.429 0.003 . 2 . . . . 137 ASN HB3 . 27017 1 1662 . 1 1 137 137 ASN HD21 H 1 6.708 0.003 . 1 . . . . 137 ASN HD21 . 27017 1 1663 . 1 1 137 137 ASN HD22 H 1 7.267 0.000 . 1 . . . . 137 ASN HD22 . 27017 1 1664 . 1 1 137 137 ASN C C 13 175.350 0.001 . 1 . . . . 137 ASN C . 27017 1 1665 . 1 1 137 137 ASN CA C 13 51.192 0.039 . 1 . . . . 137 ASN CA . 27017 1 1666 . 1 1 137 137 ASN CB C 13 38.036 0.089 . 1 . . . . 137 ASN CB . 27017 1 1667 . 1 1 137 137 ASN CG C 13 175.281 0.053 . 1 . . . . 137 ASN CG . 27017 1 1668 . 1 1 137 137 ASN N N 15 129.549 0.039 . 1 . . . . 137 ASN N . 27017 1 1669 . 1 1 137 137 ASN ND2 N 15 107.898 0.018 . 1 . . . . 137 ASN ND2 . 27017 1 1670 . 1 1 138 138 TYR H H 1 8.708 0.004 . 1 . . . . 138 TYR H . 27017 1 1671 . 1 1 138 138 TYR HA H 1 3.504 0.005 . 1 . . . . 138 TYR HA . 27017 1 1672 . 1 1 138 138 TYR HB2 H 1 1.964 0.007 . 2 . . . . 138 TYR HB2 . 27017 1 1673 . 1 1 138 138 TYR HB3 H 1 2.390 0.008 . 2 . . . . 138 TYR HB3 . 27017 1 1674 . 1 1 138 138 TYR HD1 H 1 6.498 0.013 . 1 . . . . 138 TYR HD1 . 27017 1 1675 . 1 1 138 138 TYR HD2 H 1 6.498 0.013 . 1 . . . . 138 TYR HD2 . 27017 1 1676 . 1 1 138 138 TYR HE1 H 1 6.522 0.013 . 1 . . . . 138 TYR HE1 . 27017 1 1677 . 1 1 138 138 TYR HE2 H 1 6.522 0.013 . 1 . . . . 138 TYR HE2 . 27017 1 1678 . 1 1 138 138 TYR C C 13 176.136 0.035 . 1 . . . . 138 TYR C . 27017 1 1679 . 1 1 138 138 TYR CA C 13 63.070 0.086 . 1 . . . . 138 TYR CA . 27017 1 1680 . 1 1 138 138 TYR CB C 13 37.468 0.161 . 1 . . . . 138 TYR CB . 27017 1 1681 . 1 1 138 138 TYR CD1 C 13 132.214 0.097 . 1 . . . . 138 TYR CD1 . 27017 1 1682 . 1 1 138 138 TYR CD2 C 13 132.214 0.097 . 1 . . . . 138 TYR CD2 . 27017 1 1683 . 1 1 138 138 TYR CE1 C 13 118.223 0.043 . 1 . . . . 138 TYR CE1 . 27017 1 1684 . 1 1 138 138 TYR CE2 C 13 118.223 0.043 . 1 . . . . 138 TYR CE2 . 27017 1 1685 . 1 1 138 138 TYR N N 15 119.351 0.025 . 1 . . . . 138 TYR N . 27017 1 1686 . 1 1 139 139 GLU H H 1 8.110 0.002 . 1 . . . . 139 GLU H . 27017 1 1687 . 1 1 139 139 GLU HA H 1 3.667 0.003 . 1 . . . . 139 GLU HA . 27017 1 1688 . 1 1 139 139 GLU HB2 H 1 1.994 0.004 . 2 . . . . 139 GLU HB2 . 27017 1 1689 . 1 1 139 139 GLU HB3 H 1 2.092 0.008 . 2 . . . . 139 GLU HB3 . 27017 1 1690 . 1 1 139 139 GLU HG2 H 1 2.317 0.002 . 1 . . . . 139 GLU HG2 . 27017 1 1691 . 1 1 139 139 GLU HG3 H 1 2.317 0.002 . 1 . . . . 139 GLU HG3 . 27017 1 1692 . 1 1 139 139 GLU C C 13 180.518 0.007 . 1 . . . . 139 GLU C . 27017 1 1693 . 1 1 139 139 GLU CA C 13 60.153 0.032 . 1 . . . . 139 GLU CA . 27017 1 1694 . 1 1 139 139 GLU CB C 13 28.987 0.073 . 1 . . . . 139 GLU CB . 27017 1 1695 . 1 1 139 139 GLU CG C 13 36.839 0.026 . 1 . . . . 139 GLU CG . 27017 1 1696 . 1 1 139 139 GLU N N 15 118.978 0.025 . 1 . . . . 139 GLU N . 27017 1 1697 . 1 1 140 140 GLU H H 1 8.847 0.003 . 1 . . . . 140 GLU H . 27017 1 1698 . 1 1 140 140 GLU HA H 1 4.033 0.006 . 1 . . . . 140 GLU HA . 27017 1 1699 . 1 1 140 140 GLU HB2 H 1 2.060 0.004 . 1 . . . . 140 GLU HB2 . 27017 1 1700 . 1 1 140 140 GLU HG2 H 1 2.283 0.003 . 1 . . . . 140 GLU HG2 . 27017 1 1701 . 1 1 140 140 GLU C C 13 179.323 0.012 . 1 . . . . 140 GLU C . 27017 1 1702 . 1 1 140 140 GLU CA C 13 58.208 0.027 . 1 . . . . 140 GLU CA . 27017 1 1703 . 1 1 140 140 GLU CB C 13 29.951 0.087 . 1 . . . . 140 GLU CB . 27017 1 1704 . 1 1 140 140 GLU CG C 13 36.853 0.038 . 1 . . . . 140 GLU CG . 27017 1 1705 . 1 1 140 140 GLU N N 15 119.821 0.021 . 1 . . . . 140 GLU N . 27017 1 1706 . 1 1 141 141 PHE H H 1 8.978 0.006 . 1 . . . . 141 PHE H . 27017 1 1707 . 1 1 141 141 PHE HA H 1 4.053 0.008 . 1 . . . . 141 PHE HA . 27017 1 1708 . 1 1 141 141 PHE HB2 H 1 3.256 0.010 . 2 . . . . 141 PHE HB2 . 27017 1 1709 . 1 1 141 141 PHE HB3 H 1 3.556 0.010 . 2 . . . . 141 PHE HB3 . 27017 1 1710 . 1 1 141 141 PHE HD1 H 1 7.019 0.004 . 1 . . . . 141 PHE HD1 . 27017 1 1711 . 1 1 141 141 PHE HD2 H 1 7.019 0.004 . 1 . . . . 141 PHE HD2 . 27017 1 1712 . 1 1 141 141 PHE HE1 H 1 7.218 0.004 . 1 . . . . 141 PHE HE1 . 27017 1 1713 . 1 1 141 141 PHE HE2 H 1 7.218 0.004 . 1 . . . . 141 PHE HE2 . 27017 1 1714 . 1 1 141 141 PHE HZ H 1 6.983 0.005 . 1 . . . . 141 PHE HZ . 27017 1 1715 . 1 1 141 141 PHE C C 13 176.447 0.020 . 1 . . . . 141 PHE C . 27017 1 1716 . 1 1 141 141 PHE CA C 13 61.377 0.108 . 1 . . . . 141 PHE CA . 27017 1 1717 . 1 1 141 141 PHE CB C 13 39.913 0.033 . 1 . . . . 141 PHE CB . 27017 1 1718 . 1 1 141 141 PHE CD1 C 13 131.904 0.048 . 1 . . . . 141 PHE CD1 . 27017 1 1719 . 1 1 141 141 PHE CD2 C 13 131.904 0.048 . 1 . . . . 141 PHE CD2 . 27017 1 1720 . 1 1 141 141 PHE CE1 C 13 130.618 0.063 . 1 . . . . 141 PHE CE1 . 27017 1 1721 . 1 1 141 141 PHE CE2 C 13 130.618 0.063 . 1 . . . . 141 PHE CE2 . 27017 1 1722 . 1 1 141 141 PHE CZ C 13 131.798 0.013 . 1 . . . . 141 PHE CZ . 27017 1 1723 . 1 1 141 141 PHE N N 15 125.450 0.053 . 1 . . . . 141 PHE N . 27017 1 1724 . 1 1 142 142 VAL H H 1 8.494 0.004 . 1 . . . . 142 VAL H . 27017 1 1725 . 1 1 142 142 VAL HA H 1 3.114 0.004 . 1 . . . . 142 VAL HA . 27017 1 1726 . 1 1 142 142 VAL HB H 1 1.830 0.009 . 1 . . . . 142 VAL HB . 27017 1 1727 . 1 1 142 142 VAL HG11 H 1 0.556 0.002 . 2 . . . . 142 VAL HG11 . 27017 1 1728 . 1 1 142 142 VAL HG12 H 1 0.556 0.002 . 2 . . . . 142 VAL HG12 . 27017 1 1729 . 1 1 142 142 VAL HG13 H 1 0.556 0.002 . 2 . . . . 142 VAL HG13 . 27017 1 1730 . 1 1 142 142 VAL HG21 H 1 0.777 0.003 . 2 . . . . 142 VAL HG21 . 27017 1 1731 . 1 1 142 142 VAL HG22 H 1 0.777 0.003 . 2 . . . . 142 VAL HG22 . 27017 1 1732 . 1 1 142 142 VAL HG23 H 1 0.777 0.003 . 2 . . . . 142 VAL HG23 . 27017 1 1733 . 1 1 142 142 VAL C C 13 178.180 0.022 . 1 . . . . 142 VAL C . 27017 1 1734 . 1 1 142 142 VAL CA C 13 67.510 0.070 . 1 . . . . 142 VAL CA . 27017 1 1735 . 1 1 142 142 VAL CB C 13 31.636 0.020 . 1 . . . . 142 VAL CB . 27017 1 1736 . 1 1 142 142 VAL CG1 C 13 23.142 0.062 . 2 . . . . 142 VAL CG1 . 27017 1 1737 . 1 1 142 142 VAL CG2 C 13 21.294 0.039 . 2 . . . . 142 VAL CG2 . 27017 1 1738 . 1 1 142 142 VAL N N 15 119.651 0.039 . 1 . . . . 142 VAL N . 27017 1 1739 . 1 1 143 143 ARG H H 1 7.513 0.005 . 1 . . . . 143 ARG H . 27017 1 1740 . 1 1 143 143 ARG HA H 1 3.963 0.006 . 1 . . . . 143 ARG HA . 27017 1 1741 . 1 1 143 143 ARG HB2 H 1 1.859 0.002 . 2 . . . . 143 ARG HB2 . 27017 1 1742 . 1 1 143 143 ARG HB3 H 1 1.883 0.003 . 2 . . . . 143 ARG HB3 . 27017 1 1743 . 1 1 143 143 ARG HG2 H 1 1.557 0.009 . 2 . . . . 143 ARG HG2 . 27017 1 1744 . 1 1 143 143 ARG HG3 H 1 1.708 0.005 . 2 . . . . 143 ARG HG3 . 27017 1 1745 . 1 1 143 143 ARG HD2 H 1 3.225 0.002 . 1 . . . . 143 ARG HD2 . 27017 1 1746 . 1 1 143 143 ARG HD3 H 1 3.225 0.002 . 1 . . . . 143 ARG HD3 . 27017 1 1747 . 1 1 143 143 ARG HE H 1 7.384 0.001 . 1 . . . . 143 ARG HE . 27017 1 1748 . 1 1 143 143 ARG C C 13 178.936 0.020 . 1 . . . . 143 ARG C . 27017 1 1749 . 1 1 143 143 ARG CA C 13 59.385 0.065 . 1 . . . . 143 ARG CA . 27017 1 1750 . 1 1 143 143 ARG CB C 13 29.722 0.062 . 1 . . . . 143 ARG CB . 27017 1 1751 . 1 1 143 143 ARG CG C 13 27.457 0.102 . 1 . . . . 143 ARG CG . 27017 1 1752 . 1 1 143 143 ARG CD C 13 43.277 0.048 . 1 . . . . 143 ARG CD . 27017 1 1753 . 1 1 143 143 ARG N N 15 117.374 0.038 . 1 . . . . 143 ARG N . 27017 1 1754 . 1 1 143 143 ARG NE N 15 84.709 0.023 . 1 . . . . 143 ARG NE . 27017 1 1755 . 1 1 144 144 MET H H 1 7.921 0.003 . 1 . . . . 144 MET H . 27017 1 1756 . 1 1 144 144 MET HA H 1 4.118 0.004 . 1 . . . . 144 MET HA . 27017 1 1757 . 1 1 144 144 MET HB2 H 1 2.203 0.005 . 2 . . . . 144 MET HB2 . 27017 1 1758 . 1 1 144 144 MET HB3 H 1 2.097 0.002 . 2 . . . . 144 MET HB3 . 27017 1 1759 . 1 1 144 144 MET HG2 H 1 2.410 0.007 . 2 . . . . 144 MET HG2 . 27017 1 1760 . 1 1 144 144 MET HG3 H 1 2.523 0.005 . 2 . . . . 144 MET HG3 . 27017 1 1761 . 1 1 144 144 MET HE1 H 1 1.398 0.000 . 1 . . . . 144 MET HE1 . 27017 1 1762 . 1 1 144 144 MET HE2 H 1 1.398 0.000 . 1 . . . . 144 MET HE2 . 27017 1 1763 . 1 1 144 144 MET HE3 H 1 1.398 0.000 . 1 . . . . 144 MET HE3 . 27017 1 1764 . 1 1 144 144 MET C C 13 177.682 0.002 . 1 . . . . 144 MET C . 27017 1 1765 . 1 1 144 144 MET CA C 13 58.196 0.076 . 1 . . . . 144 MET CA . 27017 1 1766 . 1 1 144 144 MET CB C 13 32.682 0.037 . 1 . . . . 144 MET CB . 27017 1 1767 . 1 1 144 144 MET CG C 13 31.820 0.095 . 1 . . . . 144 MET CG . 27017 1 1768 . 1 1 144 144 MET CE C 13 20.997 0.000 . 1 . . . . 144 MET CE . 27017 1 1769 . 1 1 144 144 MET N N 15 119.057 0.065 . 1 . . . . 144 MET N . 27017 1 1770 . 1 1 145 145 MET H H 1 7.656 0.003 . 1 . . . . 145 MET H . 27017 1 1771 . 1 1 145 145 MET HA H 1 4.497 0.003 . 1 . . . . 145 MET HA . 27017 1 1772 . 1 1 145 145 MET HB2 H 1 2.002 0.000 . 1 . . . . 145 MET HB2 . 27017 1 1773 . 1 1 145 145 MET HG2 H 1 1.766 0.001 . 2 . . . . 145 MET HG2 . 27017 1 1774 . 1 1 145 145 MET HG3 H 1 2.002 0.005 . 2 . . . . 145 MET HG3 . 27017 1 1775 . 1 1 145 145 MET HE1 H 1 1.950 0.000 . 1 . . . . 145 MET HE1 . 27017 1 1776 . 1 1 145 145 MET HE2 H 1 1.950 0.000 . 1 . . . . 145 MET HE2 . 27017 1 1777 . 1 1 145 145 MET HE3 H 1 1.950 0.000 . 1 . . . . 145 MET HE3 . 27017 1 1778 . 1 1 145 145 MET C C 13 178.044 0.008 . 1 . . . . 145 MET C . 27017 1 1779 . 1 1 145 145 MET CA C 13 54.766 0.065 . 1 . . . . 145 MET CA . 27017 1 1780 . 1 1 145 145 MET CB C 13 30.459 0.057 . 1 . . . . 145 MET CB . 27017 1 1781 . 1 1 145 145 MET CG C 13 31.428 0.055 . 1 . . . . 145 MET CG . 27017 1 1782 . 1 1 145 145 MET CE C 13 15.294 0.000 . 1 . . . . 145 MET CE . 27017 1 1783 . 1 1 145 145 MET N N 15 117.493 0.062 . 1 . . . . 145 MET N . 27017 1 1784 . 1 1 146 146 VAL H H 1 8.004 0.004 . 1 . . . . 146 VAL H . 27017 1 1785 . 1 1 146 146 VAL HA H 1 4.357 0.002 . 1 . . . . 146 VAL HA . 27017 1 1786 . 1 1 146 146 VAL HB H 1 2.254 0.001 . 1 . . . . 146 VAL HB . 27017 1 1787 . 1 1 146 146 VAL HG11 H 1 0.906 0.006 . 2 . . . . 146 VAL HG11 . 27017 1 1788 . 1 1 146 146 VAL HG12 H 1 0.906 0.006 . 2 . . . . 146 VAL HG12 . 27017 1 1789 . 1 1 146 146 VAL HG13 H 1 0.906 0.006 . 2 . . . . 146 VAL HG13 . 27017 1 1790 . 1 1 146 146 VAL HG21 H 1 0.911 0.006 . 2 . . . . 146 VAL HG21 . 27017 1 1791 . 1 1 146 146 VAL HG22 H 1 0.911 0.006 . 2 . . . . 146 VAL HG22 . 27017 1 1792 . 1 1 146 146 VAL HG23 H 1 0.911 0.006 . 2 . . . . 146 VAL HG23 . 27017 1 1793 . 1 1 146 146 VAL C C 13 176.606 0.005 . 1 . . . . 146 VAL C . 27017 1 1794 . 1 1 146 146 VAL CA C 13 62.035 0.058 . 1 . . . . 146 VAL CA . 27017 1 1795 . 1 1 146 146 VAL CB C 13 32.545 0.071 . 1 . . . . 146 VAL CB . 27017 1 1796 . 1 1 146 146 VAL CG1 C 13 20.718 0.088 . 2 . . . . 146 VAL CG1 . 27017 1 1797 . 1 1 146 146 VAL CG2 C 13 19.551 0.076 . 2 . . . . 146 VAL CG2 . 27017 1 1798 . 1 1 146 146 VAL N N 15 115.365 0.023 . 1 . . . . 146 VAL N . 27017 1 1799 . 1 1 147 147 SER H H 1 7.779 0.002 . 1 . . . . 147 SER H . 27017 1 1800 . 1 1 147 147 SER HA H 1 4.381 0.002 . 1 . . . . 147 SER HA . 27017 1 1801 . 1 1 147 147 SER HB2 H 1 3.925 0.026 . 2 . . . . 147 SER HB2 . 27017 1 1802 . 1 1 147 147 SER HB3 H 1 3.932 0.026 . 2 . . . . 147 SER HB3 . 27017 1 1803 . 1 1 147 147 SER C C 13 173.658 0.031 . 1 . . . . 147 SER C . 27017 1 1804 . 1 1 147 147 SER CA C 13 58.999 0.031 . 1 . . . . 147 SER CA . 27017 1 1805 . 1 1 147 147 SER CB C 13 63.813 0.037 . 1 . . . . 147 SER CB . 27017 1 1806 . 1 1 147 147 SER N N 15 119.128 0.028 . 1 . . . . 147 SER N . 27017 1 1807 . 1 1 148 148 LYS H H 1 8.124 0.002 . 1 . . . . 148 LYS H . 27017 1 1808 . 1 1 148 148 LYS HA H 1 4.150 0.002 . 1 . . . . 148 LYS HA . 27017 1 1809 . 1 1 148 148 LYS HB2 H 1 1.822 0.002 . 2 . . . . 148 LYS HB2 . 27017 1 1810 . 1 1 148 148 LYS HB3 H 1 1.715 0.002 . 2 . . . . 148 LYS HB3 . 27017 1 1811 . 1 1 148 148 LYS HG2 H 1 1.420 0.001 . 1 . . . . 148 LYS HG2 . 27017 1 1812 . 1 1 148 148 LYS HG3 H 1 1.420 0.001 . 1 . . . . 148 LYS HG3 . 27017 1 1813 . 1 1 148 148 LYS HD2 H 1 1.676 0.015 . 2 . . . . 148 LYS HD2 . 27017 1 1814 . 1 1 148 148 LYS HD3 H 1 1.681 0.004 . 2 . . . . 148 LYS HD3 . 27017 1 1815 . 1 1 148 148 LYS HE2 H 1 2.989 0.002 . 1 . . . . 148 LYS HE2 . 27017 1 1816 . 1 1 148 148 LYS HE3 H 1 2.989 0.002 . 1 . . . . 148 LYS HE3 . 27017 1 1817 . 1 1 148 148 LYS C C 13 181.516 0.000 . 1 . . . . 148 LYS C . 27017 1 1818 . 1 1 148 148 LYS CA C 13 57.989 0.086 . 1 . . . . 148 LYS CA . 27017 1 1819 . 1 1 148 148 LYS CB C 13 33.561 0.052 . 1 . . . . 148 LYS CB . 27017 1 1820 . 1 1 148 148 LYS CG C 13 24.825 0.057 . 1 . . . . 148 LYS CG . 27017 1 1821 . 1 1 148 148 LYS CD C 13 28.911 0.080 . 1 . . . . 148 LYS CD . 27017 1 1822 . 1 1 148 148 LYS CE C 13 41.903 0.003 . 1 . . . . 148 LYS CE . 27017 1 1823 . 1 1 148 148 LYS N N 15 128.701 0.007 . 1 . . . . 148 LYS N . 27017 1 stop_ save_ save_assigned_chemical_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27017 _Assigned_chem_shift_list.ID 2 _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' . . . 27017 2 2 '3D HNCACB' . . . 27017 2 3 '3D CBCA(CO)NH' . . . 27017 2 4 '3D HNCO' . . . 27017 2 5 '3D C(CO)NH' . . . 27017 2 6 '3D HBHA(CO)NH' . . . 27017 2 7 '3D 1H-15N NOESY' . . . 27017 2 8 '2D 1H-13C HMQC' . . . 27017 2 9 '3D 1H-13C NOESY' . . . 27017 2 10 '3D HCACO' . . . 27017 2 11 '3D HCCH-TOCSY' . . . 27017 2 12 '2D 1H-13C CT-HSQC aromatic' . . . 27017 2 13 '2D (HB)CB(CGCD)HD' . . . 27017 2 14 '2D (HB)CB(CGCDCE)HE' . . . 27017 2 15 '2D 1H-1H gCOSY' . . . 27017 2 16 '2D 1H-1H TOCSY' . . . 27017 2 17 '2D 1H-1H NOESY' . . . 27017 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $Analysis . . 27017 2 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 . 2 2 1 1 GLY HA2 H 1 3.741 0.007 . 2 . . . . -4 GLY HA2 . 27017 2 2 . 2 2 1 1 GLY HA3 H 1 3.996 0.010 . 2 . . . . -4 GLY HA3 . 27017 2 3 . 2 2 1 1 GLY C C 13 168.786 0.073 . 1 . . . . -4 GLY C . 27017 2 4 . 2 2 1 1 GLY CA C 13 42.970 0.165 . 1 . . . . -4 GLY CA . 27017 2 5 . 2 2 2 2 PRO HA H 1 4.494 0.001 . 1 . . . . -3 PRO HA . 27017 2 6 . 2 2 2 2 PRO HB2 H 1 2.003 0.003 . 2 . . . . -3 PRO HB2 . 27017 2 7 . 2 2 2 2 PRO HB3 H 1 2.321 0.001 . 2 . . . . -3 PRO HB3 . 27017 2 8 . 2 2 2 2 PRO HG2 H 1 2.050 0.001 . 1 . . . . -3 PRO HG2 . 27017 2 9 . 2 2 2 2 PRO HG3 H 1 2.050 0.001 . 1 . . . . -3 PRO HG3 . 27017 2 10 . 2 2 2 2 PRO HD2 H 1 3.604 0.002 . 1 . . . . -3 PRO HD2 . 27017 2 11 . 2 2 2 2 PRO HD3 H 1 3.604 0.002 . 1 . . . . -3 PRO HD3 . 27017 2 12 . 2 2 2 2 PRO C C 13 177.389 0.024 . 1 . . . . -3 PRO C . 27017 2 13 . 2 2 2 2 PRO CA C 13 63.458 0.029 . 1 . . . . -3 PRO CA . 27017 2 14 . 2 2 2 2 PRO CB C 13 32.193 0.038 . 1 . . . . -3 PRO CB . 27017 2 15 . 2 2 2 2 PRO CG C 13 27.077 0.028 . 1 . . . . -3 PRO CG . 27017 2 16 . 2 2 2 2 PRO CD C 13 49.600 0.062 . 1 . . . . -3 PRO CD . 27017 2 17 . 2 2 3 3 GLY H H 1 8.645 0.001 . 1 . . . . -2 GLY H . 27017 2 18 . 2 2 3 3 GLY HA2 H 1 4.002 0.002 . 1 . . . . -2 GLY HA2 . 27017 2 19 . 2 2 3 3 GLY HA3 H 1 4.002 0.002 . 1 . . . . -2 GLY HA3 . 27017 2 20 . 2 2 3 3 GLY C C 13 174.042 0.006 . 1 . . . . -2 GLY C . 27017 2 21 . 2 2 3 3 GLY CA C 13 45.193 0.090 . 1 . . . . -2 GLY CA . 27017 2 22 . 2 2 3 3 GLY N N 15 109.855 0.008 . 1 . . . . -2 GLY N . 27017 2 23 . 2 2 4 4 SER H H 1 8.191 0.001 . 1 . . . . -1 SER H . 27017 2 24 . 2 2 4 4 SER HA H 1 4.553 0.001 . 1 . . . . -1 SER HA . 27017 2 25 . 2 2 4 4 SER HB2 H 1 3.893 0.002 . 2 . . . . -1 SER HB2 . 27017 2 26 . 2 2 4 4 SER HB3 H 1 4.028 0.007 . 2 . . . . -1 SER HB3 . 27017 2 27 . 2 2 4 4 SER C C 13 174.996 0.031 . 1 . . . . -1 SER C . 27017 2 28 . 2 2 4 4 SER CA C 13 58.148 0.047 . 1 . . . . -1 SER CA . 27017 2 29 . 2 2 4 4 SER CB C 13 63.977 0.067 . 1 . . . . -1 SER CB . 27017 2 30 . 2 2 4 4 SER N N 15 115.303 0.009 . 1 . . . . -1 SER N . 27017 2 31 . 2 2 5 5 SER H H 1 8.505 0.002 . 1 . . . . 397 SER H . 27017 2 32 . 2 2 5 5 SER HA H 1 4.469 0.001 . 1 . . . . 397 SER HA . 27017 2 33 . 2 2 5 5 SER HB2 H 1 3.944 0.009 . 2 . . . . 397 SER HB2 . 27017 2 34 . 2 2 5 5 SER HB3 H 1 4.081 0.009 . 2 . . . . 397 SER HB3 . 27017 2 35 . 2 2 5 5 SER C C 13 175.003 0.029 . 1 . . . . 397 SER C . 27017 2 36 . 2 2 5 5 SER CA C 13 58.965 0.037 . 1 . . . . 397 SER CA . 27017 2 37 . 2 2 5 5 SER CB C 13 63.866 0.079 . 1 . . . . 397 SER CB . 27017 2 38 . 2 2 5 5 SER N N 15 119.230 0.018 . 1 . . . . 397 SER N . 27017 2 39 . 2 2 6 6 ALA H H 1 8.559 0.002 . 1 . . . . 398 ALA H . 27017 2 40 . 2 2 6 6 ALA HA H 1 4.027 0.005 . 1 . . . . 398 ALA HA . 27017 2 41 . 2 2 6 6 ALA HB1 H 1 1.366 0.001 . 1 . . . . 398 ALA HB1 . 27017 2 42 . 2 2 6 6 ALA HB2 H 1 1.366 0.001 . 1 . . . . 398 ALA HB2 . 27017 2 43 . 2 2 6 6 ALA HB3 H 1 1.366 0.001 . 1 . . . . 398 ALA HB3 . 27017 2 44 . 2 2 6 6 ALA C C 13 179.548 0.032 . 1 . . . . 398 ALA C . 27017 2 45 . 2 2 6 6 ALA CA C 13 54.622 0.077 . 1 . . . . 398 ALA CA . 27017 2 46 . 2 2 6 6 ALA CB C 13 18.253 0.103 . 1 . . . . 398 ALA CB . 27017 2 47 . 2 2 6 6 ALA N N 15 124.819 0.011 . 1 . . . . 398 ALA N . 27017 2 48 . 2 2 7 7 ALA H H 1 8.138 0.002 . 1 . . . . 399 ALA H . 27017 2 49 . 2 2 7 7 ALA HA H 1 4.118 0.003 . 1 . . . . 399 ALA HA . 27017 2 50 . 2 2 7 7 ALA HB1 H 1 1.439 0.004 . 1 . . . . 399 ALA HB1 . 27017 2 51 . 2 2 7 7 ALA HB2 H 1 1.439 0.004 . 1 . . . . 399 ALA HB2 . 27017 2 52 . 2 2 7 7 ALA HB3 H 1 1.439 0.004 . 1 . . . . 399 ALA HB3 . 27017 2 53 . 2 2 7 7 ALA C C 13 179.856 0.033 . 1 . . . . 399 ALA C . 27017 2 54 . 2 2 7 7 ALA CA C 13 54.523 0.109 . 1 . . . . 399 ALA CA . 27017 2 55 . 2 2 7 7 ALA CB C 13 18.355 0.057 . 1 . . . . 399 ALA CB . 27017 2 56 . 2 2 7 7 ALA N N 15 120.610 0.016 . 1 . . . . 399 ALA N . 27017 2 57 . 2 2 8 8 ALA H H 1 7.912 0.002 . 1 . . . . 400 ALA H . 27017 2 58 . 2 2 8 8 ALA HA H 1 4.268 0.001 . 1 . . . . 400 ALA HA . 27017 2 59 . 2 2 8 8 ALA HB1 H 1 1.511 0.001 . 1 . . . . 400 ALA HB1 . 27017 2 60 . 2 2 8 8 ALA HB2 H 1 1.511 0.001 . 1 . . . . 400 ALA HB2 . 27017 2 61 . 2 2 8 8 ALA HB3 H 1 1.511 0.001 . 1 . . . . 400 ALA HB3 . 27017 2 62 . 2 2 8 8 ALA C C 13 179.447 0.007 . 1 . . . . 400 ALA C . 27017 2 63 . 2 2 8 8 ALA CA C 13 53.930 0.070 . 1 . . . . 400 ALA CA . 27017 2 64 . 2 2 8 8 ALA CB C 13 18.586 0.088 . 1 . . . . 400 ALA CB . 27017 2 65 . 2 2 8 8 ALA N N 15 120.792 0.026 . 1 . . . . 400 ALA N . 27017 2 66 . 2 2 9 9 ARG H H 1 7.940 0.009 . 1 . . . . 401 ARG H . 27017 2 67 . 2 2 9 9 ARG HA H 1 4.376 0.007 . 1 . . . . 401 ARG HA . 27017 2 68 . 2 2 9 9 ARG HB2 H 1 1.700 0.005 . 1 . . . . 401 ARG HB2 . 27017 2 69 . 2 2 9 9 ARG HG2 H 1 1.698 0.002 . 1 . . . . 401 ARG HG2 . 27017 2 70 . 2 2 9 9 ARG HD2 H 1 2.990 0.003 . 1 . . . . 401 ARG HD2 . 27017 2 71 . 2 2 9 9 ARG HE H 1 9.040 0.000 . 1 . . . . 401 ARG HE . 27017 2 72 . 2 2 9 9 ARG C C 13 176.475 0.015 . 1 . . . . 401 ARG C . 27017 2 73 . 2 2 9 9 ARG CA C 13 55.992 0.051 . 1 . . . . 401 ARG CA . 27017 2 74 . 2 2 9 9 ARG CB C 13 29.706 0.062 . 1 . . . . 401 ARG CB . 27017 2 75 . 2 2 9 9 ARG CG C 13 26.903 0.003 . 1 . . . . 401 ARG CG . 27017 2 76 . 2 2 9 9 ARG N N 15 116.803 0.056 . 1 . . . . 401 ARG N . 27017 2 77 . 2 2 9 9 ARG NE N 15 83.701 0.000 . 1 . . . . 401 ARG NE . 27017 2 78 . 2 2 10 10 LYS H H 1 7.432 0.006 . 1 . . . . 402 LYS H . 27017 2 79 . 2 2 10 10 LYS HA H 1 3.839 0.005 . 1 . . . . 402 LYS HA . 27017 2 80 . 2 2 10 10 LYS HB2 H 1 2.026 0.006 . 2 . . . . 402 LYS HB2 . 27017 2 81 . 2 2 10 10 LYS HB3 H 1 1.854 0.005 . 2 . . . . 402 LYS HB3 . 27017 2 82 . 2 2 10 10 LYS HG2 H 1 1.336 0.005 . 2 . . . . 402 LYS HG2 . 27017 2 83 . 2 2 10 10 LYS HG3 H 1 1.495 0.004 . 2 . . . . 402 LYS HG3 . 27017 2 84 . 2 2 10 10 LYS HD2 H 1 1.717 0.003 . 1 . . . . 402 LYS HD2 . 27017 2 85 . 2 2 10 10 LYS HD3 H 1 1.717 0.003 . 1 . . . . 402 LYS HD3 . 27017 2 86 . 2 2 10 10 LYS HE2 H 1 2.934 0.008 . 1 . . . . 402 LYS HE2 . 27017 2 87 . 2 2 10 10 LYS HE3 H 1 2.934 0.008 . 1 . . . . 402 LYS HE3 . 27017 2 88 . 2 2 10 10 LYS C C 13 178.116 0.059 . 1 . . . . 402 LYS C . 27017 2 89 . 2 2 10 10 LYS CA C 13 60.893 0.048 . 1 . . . . 402 LYS CA . 27017 2 90 . 2 2 10 10 LYS CB C 13 32.706 0.083 . 1 . . . . 402 LYS CB . 27017 2 91 . 2 2 10 10 LYS CG C 13 24.609 0.042 . 1 . . . . 402 LYS CG . 27017 2 92 . 2 2 10 10 LYS CD C 13 29.357 0.052 . 1 . . . . 402 LYS CD . 27017 2 93 . 2 2 10 10 LYS CE C 13 41.506 0.042 . 1 . . . . 402 LYS CE . 27017 2 94 . 2 2 10 10 LYS N N 15 120.151 0.052 . 1 . . . . 402 LYS N . 27017 2 95 . 2 2 11 11 GLU H H 1 8.353 0.007 . 1 . . . . 403 GLU H . 27017 2 96 . 2 2 11 11 GLU HA H 1 4.312 0.011 . 1 . . . . 403 GLU HA . 27017 2 97 . 2 2 11 11 GLU HB2 H 1 1.955 0.006 . 1 . . . . 403 GLU HB2 . 27017 2 98 . 2 2 11 11 GLU HG2 H 1 2.361 0.005 . 1 . . . . 403 GLU HG2 . 27017 2 99 . 2 2 11 11 GLU HG3 H 1 2.361 0.005 . 1 . . . . 403 GLU HG3 . 27017 2 100 . 2 2 11 11 GLU C C 13 179.303 0.001 . 1 . . . . 403 GLU C . 27017 2 101 . 2 2 11 11 GLU CA C 13 58.165 0.064 . 1 . . . . 403 GLU CA . 27017 2 102 . 2 2 11 11 GLU CB C 13 28.724 0.021 . 1 . . . . 403 GLU CB . 27017 2 103 . 2 2 11 11 GLU CG C 13 35.308 0.026 . 1 . . . . 403 GLU CG . 27017 2 104 . 2 2 11 11 GLU N N 15 116.964 0.016 . 1 . . . . 403 GLU N . 27017 2 105 . 2 2 12 12 ILE H H 1 7.599 0.003 . 1 . . . . 404 ILE H . 27017 2 106 . 2 2 12 12 ILE HA H 1 3.538 0.005 . 1 . . . . 404 ILE HA . 27017 2 107 . 2 2 12 12 ILE HB H 1 1.959 0.009 . 1 . . . . 404 ILE HB . 27017 2 108 . 2 2 12 12 ILE HG12 H 1 1.153 0.009 . 2 . . . . 404 ILE HG12 . 27017 2 109 . 2 2 12 12 ILE HG13 H 1 1.795 0.008 . 2 . . . . 404 ILE HG13 . 27017 2 110 . 2 2 12 12 ILE HG21 H 1 0.946 0.005 . 1 . . . . 404 ILE HG21 . 27017 2 111 . 2 2 12 12 ILE HG22 H 1 0.946 0.005 . 1 . . . . 404 ILE HG22 . 27017 2 112 . 2 2 12 12 ILE HG23 H 1 0.946 0.005 . 1 . . . . 404 ILE HG23 . 27017 2 113 . 2 2 12 12 ILE HD11 H 1 0.992 0.006 . 1 . . . . 404 ILE HD11 . 27017 2 114 . 2 2 12 12 ILE HD12 H 1 0.992 0.006 . 1 . . . . 404 ILE HD12 . 27017 2 115 . 2 2 12 12 ILE HD13 H 1 0.992 0.006 . 1 . . . . 404 ILE HD13 . 27017 2 116 . 2 2 12 12 ILE C C 13 178.312 0.021 . 1 . . . . 404 ILE C . 27017 2 117 . 2 2 12 12 ILE CA C 13 66.232 0.074 . 1 . . . . 404 ILE CA . 27017 2 118 . 2 2 12 12 ILE CB C 13 38.678 0.044 . 1 . . . . 404 ILE CB . 27017 2 119 . 2 2 12 12 ILE CG1 C 13 30.130 0.065 . 1 . . . . 404 ILE CG1 . 27017 2 120 . 2 2 12 12 ILE CG2 C 13 17.742 0.058 . 1 . . . . 404 ILE CG2 . 27017 2 121 . 2 2 12 12 ILE CD1 C 13 14.312 0.043 . 1 . . . . 404 ILE CD1 . 27017 2 122 . 2 2 12 12 ILE N N 15 121.235 0.026 . 1 . . . . 404 ILE N . 27017 2 123 . 2 2 13 13 ILE H H 1 8.433 0.007 . 1 . . . . 405 ILE H . 27017 2 124 . 2 2 13 13 ILE HA H 1 3.398 0.010 . 1 . . . . 405 ILE HA . 27017 2 125 . 2 2 13 13 ILE HB H 1 1.927 0.008 . 1 . . . . 405 ILE HB . 27017 2 126 . 2 2 13 13 ILE HG21 H 1 0.844 0.005 . 1 . . . . 405 ILE HG21 . 27017 2 127 . 2 2 13 13 ILE HG22 H 1 0.844 0.005 . 1 . . . . 405 ILE HG22 . 27017 2 128 . 2 2 13 13 ILE HG23 H 1 0.844 0.005 . 1 . . . . 405 ILE HG23 . 27017 2 129 . 2 2 13 13 ILE HD11 H 1 0.831 0.005 . 1 . . . . 405 ILE HD11 . 27017 2 130 . 2 2 13 13 ILE HD12 H 1 0.831 0.005 . 1 . . . . 405 ILE HD12 . 27017 2 131 . 2 2 13 13 ILE HD13 H 1 0.831 0.005 . 1 . . . . 405 ILE HD13 . 27017 2 132 . 2 2 13 13 ILE C C 13 177.910 0.008 . 1 . . . . 405 ILE C . 27017 2 133 . 2 2 13 13 ILE CA C 13 66.864 0.048 . 1 . . . . 405 ILE CA . 27017 2 134 . 2 2 13 13 ILE CB C 13 37.788 0.023 . 1 . . . . 405 ILE CB . 27017 2 135 . 2 2 13 13 ILE CG2 C 13 17.474 0.059 . 1 . . . . 405 ILE CG2 . 27017 2 136 . 2 2 13 13 ILE CD1 C 13 13.655 0.063 . 1 . . . . 405 ILE CD1 . 27017 2 137 . 2 2 13 13 ILE N N 15 120.044 0.020 . 1 . . . . 405 ILE N . 27017 2 138 . 2 2 14 14 ARG H H 1 8.377 0.002 . 1 . . . . 406 ARG H . 27017 2 139 . 2 2 14 14 ARG HA H 1 3.826 0.008 . 1 . . . . 406 ARG HA . 27017 2 140 . 2 2 14 14 ARG HB2 H 1 2.033 0.004 . 1 . . . . 406 ARG HB2 . 27017 2 141 . 2 2 14 14 ARG HG2 H 1 1.572 0.008 . 1 . . . . 406 ARG HG2 . 27017 2 142 . 2 2 14 14 ARG HD2 H 1 3.240 0.007 . 1 . . . . 406 ARG HD2 . 27017 2 143 . 2 2 14 14 ARG HE H 1 7.245 0.007 . 1 . . . . 406 ARG HE . 27017 2 144 . 2 2 14 14 ARG C C 13 178.368 0.005 . 1 . . . . 406 ARG C . 27017 2 145 . 2 2 14 14 ARG CA C 13 61.256 0.106 . 1 . . . . 406 ARG CA . 27017 2 146 . 2 2 14 14 ARG CB C 13 30.471 0.040 . 1 . . . . 406 ARG CB . 27017 2 147 . 2 2 14 14 ARG CG C 13 28.078 0.089 . 1 . . . . 406 ARG CG . 27017 2 148 . 2 2 14 14 ARG CD C 13 44.603 0.056 . 1 . . . . 406 ARG CD . 27017 2 149 . 2 2 14 14 ARG N N 15 118.396 0.041 . 1 . . . . 406 ARG N . 27017 2 150 . 2 2 14 14 ARG NE N 15 82.975 0.035 . 1 . . . . 406 ARG NE . 27017 2 151 . 2 2 15 15 ASN H H 1 8.362 0.015 . 1 . . . . 407 ASN H . 27017 2 152 . 2 2 15 15 ASN HA H 1 4.569 0.005 . 1 . . . . 407 ASN HA . 27017 2 153 . 2 2 15 15 ASN HB2 H 1 2.443 0.017 . 2 . . . . 407 ASN HB2 . 27017 2 154 . 2 2 15 15 ASN HB3 H 1 3.003 0.016 . 2 . . . . 407 ASN HB3 . 27017 2 155 . 2 2 15 15 ASN HD21 H 1 6.745 0.007 . 1 . . . . 407 ASN HD21 . 27017 2 156 . 2 2 15 15 ASN HD22 H 1 5.826 0.000 . 1 . . . . 407 ASN HD22 . 27017 2 157 . 2 2 15 15 ASN C C 13 178.085 0.008 . 1 . . . . 407 ASN C . 27017 2 158 . 2 2 15 15 ASN CA C 13 56.303 0.065 . 1 . . . . 407 ASN CA . 27017 2 159 . 2 2 15 15 ASN CB C 13 38.337 0.075 . 1 . . . . 407 ASN CB . 27017 2 160 . 2 2 15 15 ASN CG C 13 174.142 0.000 . 1 . . . . 407 ASN CG . 27017 2 161 . 2 2 15 15 ASN N N 15 117.188 0.043 . 1 . . . . 407 ASN N . 27017 2 162 . 2 2 15 15 ASN ND2 N 15 109.576 0.043 . 1 . . . . 407 ASN ND2 . 27017 2 163 . 2 2 16 16 LYS H H 1 8.565 0.010 . 1 . . . . 408 LYS H . 27017 2 164 . 2 2 16 16 LYS HA H 1 4.078 0.009 . 1 . . . . 408 LYS HA . 27017 2 165 . 2 2 16 16 LYS HB2 H 1 2.366 0.006 . 1 . . . . 408 LYS HB2 . 27017 2 166 . 2 2 16 16 LYS C C 13 177.864 0.027 . 1 . . . . 408 LYS C . 27017 2 167 . 2 2 16 16 LYS CA C 13 61.642 0.072 . 1 . . . . 408 LYS CA . 27017 2 168 . 2 2 16 16 LYS CB C 13 34.015 0.070 . 1 . . . . 408 LYS CB . 27017 2 169 . 2 2 16 16 LYS N N 15 121.416 0.037 . 1 . . . . 408 LYS N . 27017 2 170 . 2 2 17 17 ILE H H 1 8.420 0.006 . 1 . . . . 409 ILE H . 27017 2 171 . 2 2 17 17 ILE HA H 1 3.717 0.006 . 1 . . . . 409 ILE HA . 27017 2 172 . 2 2 17 17 ILE HB H 1 2.094 0.013 . 1 . . . . 409 ILE HB . 27017 2 173 . 2 2 17 17 ILE HG21 H 1 1.253 0.007 . 1 . . . . 409 ILE HG21 . 27017 2 174 . 2 2 17 17 ILE HG22 H 1 1.253 0.007 . 1 . . . . 409 ILE HG22 . 27017 2 175 . 2 2 17 17 ILE HG23 H 1 1.253 0.007 . 1 . . . . 409 ILE HG23 . 27017 2 176 . 2 2 17 17 ILE HD11 H 1 0.864 0.010 . 1 . . . . 409 ILE HD11 . 27017 2 177 . 2 2 17 17 ILE HD12 H 1 0.864 0.010 . 1 . . . . 409 ILE HD12 . 27017 2 178 . 2 2 17 17 ILE HD13 H 1 0.864 0.010 . 1 . . . . 409 ILE HD13 . 27017 2 179 . 2 2 17 17 ILE C C 13 178.220 0.079 . 1 . . . . 409 ILE C . 27017 2 180 . 2 2 17 17 ILE CA C 13 66.648 0.024 . 1 . . . . 409 ILE CA . 27017 2 181 . 2 2 17 17 ILE CB C 13 37.744 0.042 . 1 . . . . 409 ILE CB . 27017 2 182 . 2 2 17 17 ILE CG2 C 13 18.113 0.028 . 1 . . . . 409 ILE CG2 . 27017 2 183 . 2 2 17 17 ILE CD1 C 13 14.061 0.086 . 1 . . . . 409 ILE CD1 . 27017 2 184 . 2 2 17 17 ILE N N 15 118.738 0.030 . 1 . . . . 409 ILE N . 27017 2 185 . 2 2 18 18 ARG H H 1 8.792 0.005 . 1 . . . . 410 ARG H . 27017 2 186 . 2 2 18 18 ARG HA H 1 4.024 0.010 . 1 . . . . 410 ARG HA . 27017 2 187 . 2 2 18 18 ARG HB2 H 1 1.905 0.004 . 2 . . . . 410 ARG HB2 . 27017 2 188 . 2 2 18 18 ARG HB3 H 1 2.075 0.003 . 2 . . . . 410 ARG HB3 . 27017 2 189 . 2 2 18 18 ARG HG2 H 1 1.899 0.011 . 2 . . . . 410 ARG HG2 . 27017 2 190 . 2 2 18 18 ARG HG3 H 1 2.074 0.006 . 2 . . . . 410 ARG HG3 . 27017 2 191 . 2 2 18 18 ARG HD2 H 1 3.289 0.006 . 1 . . . . 410 ARG HD2 . 27017 2 192 . 2 2 18 18 ARG HD3 H 1 3.289 0.006 . 1 . . . . 410 ARG HD3 . 27017 2 193 . 2 2 18 18 ARG HE H 1 7.755 0.001 . 1 . . . . 410 ARG HE . 27017 2 194 . 2 2 18 18 ARG C C 13 178.848 0.033 . 1 . . . . 410 ARG C . 27017 2 195 . 2 2 18 18 ARG CA C 13 59.717 0.058 . 1 . . . . 410 ARG CA . 27017 2 196 . 2 2 18 18 ARG CB C 13 30.046 0.066 . 1 . . . . 410 ARG CB . 27017 2 197 . 2 2 18 18 ARG CG C 13 28.382 0.068 . 1 . . . . 410 ARG CG . 27017 2 198 . 2 2 18 18 ARG CD C 13 43.073 0.074 . 1 . . . . 410 ARG CD . 27017 2 199 . 2 2 18 18 ARG N N 15 119.132 0.079 . 1 . . . . 410 ARG N . 27017 2 200 . 2 2 18 18 ARG NE N 15 84.945 0.036 . 1 . . . . 410 ARG NE . 27017 2 201 . 2 2 19 19 ALA H H 1 8.459 0.005 . 1 . . . . 411 ALA H . 27017 2 202 . 2 2 19 19 ALA HA H 1 4.140 0.001 . 1 . . . . 411 ALA HA . 27017 2 203 . 2 2 19 19 ALA HB1 H 1 1.965 0.004 . 1 . . . . 411 ALA HB1 . 27017 2 204 . 2 2 19 19 ALA HB2 H 1 1.965 0.004 . 1 . . . . 411 ALA HB2 . 27017 2 205 . 2 2 19 19 ALA HB3 H 1 1.965 0.004 . 1 . . . . 411 ALA HB3 . 27017 2 206 . 2 2 19 19 ALA C C 13 179.575 0.035 . 1 . . . . 411 ALA C . 27017 2 207 . 2 2 19 19 ALA CA C 13 55.838 0.069 . 1 . . . . 411 ALA CA . 27017 2 208 . 2 2 19 19 ALA CB C 13 18.499 0.121 . 1 . . . . 411 ALA CB . 27017 2 209 . 2 2 19 19 ALA N N 15 121.612 0.014 . 1 . . . . 411 ALA N . 27017 2 210 . 2 2 20 20 ILE H H 1 8.309 0.013 . 1 . . . . 412 ILE H . 27017 2 211 . 2 2 20 20 ILE HA H 1 4.051 0.005 . 1 . . . . 412 ILE HA . 27017 2 212 . 2 2 20 20 ILE HB H 1 2.344 0.008 . 1 . . . . 412 ILE HB . 27017 2 213 . 2 2 20 20 ILE HG12 H 1 1.708 0.008 . 2 . . . . 412 ILE HG12 . 27017 2 214 . 2 2 20 20 ILE HG13 H 1 1.812 0.008 . 2 . . . . 412 ILE HG13 . 27017 2 215 . 2 2 20 20 ILE HG21 H 1 1.006 0.001 . 1 . . . . 412 ILE HG21 . 27017 2 216 . 2 2 20 20 ILE HG22 H 1 1.006 0.001 . 1 . . . . 412 ILE HG22 . 27017 2 217 . 2 2 20 20 ILE HG23 H 1 1.006 0.001 . 1 . . . . 412 ILE HG23 . 27017 2 218 . 2 2 20 20 ILE HD11 H 1 0.848 0.004 . 1 . . . . 412 ILE HD11 . 27017 2 219 . 2 2 20 20 ILE HD12 H 1 0.848 0.004 . 1 . . . . 412 ILE HD12 . 27017 2 220 . 2 2 20 20 ILE HD13 H 1 0.848 0.004 . 1 . . . . 412 ILE HD13 . 27017 2 221 . 2 2 20 20 ILE C C 13 178.353 0.023 . 1 . . . . 412 ILE C . 27017 2 222 . 2 2 20 20 ILE CA C 13 63.523 0.057 . 1 . . . . 412 ILE CA . 27017 2 223 . 2 2 20 20 ILE CB C 13 36.633 0.037 . 1 . . . . 412 ILE CB . 27017 2 224 . 2 2 20 20 ILE CG1 C 13 27.725 0.076 . 1 . . . . 412 ILE CG1 . 27017 2 225 . 2 2 20 20 ILE CG2 C 13 18.864 0.079 . 1 . . . . 412 ILE CG2 . 27017 2 226 . 2 2 20 20 ILE CD1 C 13 12.245 0.097 . 1 . . . . 412 ILE CD1 . 27017 2 227 . 2 2 20 20 ILE N N 15 115.893 0.045 . 1 . . . . 412 ILE N . 27017 2 228 . 2 2 21 21 GLY H H 1 8.881 0.016 . 1 . . . . 413 GLY H . 27017 2 229 . 2 2 21 21 GLY HA2 H 1 3.766 0.005 . 2 . . . . 413 GLY HA2 . 27017 2 230 . 2 2 21 21 GLY HA3 H 1 4.039 0.012 . 2 . . . . 413 GLY HA3 . 27017 2 231 . 2 2 21 21 GLY C C 13 175.156 0.000 . 1 . . . . 413 GLY C . 27017 2 232 . 2 2 21 21 GLY CA C 13 48.306 0.074 . 1 . . . . 413 GLY CA . 27017 2 233 . 2 2 21 21 GLY N N 15 108.950 0.045 . 1 . . . . 413 GLY N . 27017 2 234 . 2 2 22 22 LYS H H 1 8.435 0.005 . 1 . . . . 414 LYS H . 27017 2 235 . 2 2 22 22 LYS HA H 1 4.010 0.005 . 1 . . . . 414 LYS HA . 27017 2 236 . 2 2 22 22 LYS HB2 H 1 1.753 0.006 . 2 . . . . 414 LYS HB2 . 27017 2 237 . 2 2 22 22 LYS HB3 H 1 2.020 0.007 . 2 . . . . 414 LYS HB3 . 27017 2 238 . 2 2 22 22 LYS HG2 H 1 1.591 0.009 . 1 . . . . 414 LYS HG2 . 27017 2 239 . 2 2 22 22 LYS HD2 H 1 1.872 0.004 . 1 . . . . 414 LYS HD2 . 27017 2 240 . 2 2 22 22 LYS HE2 H 1 3.221 0.008 . 2 . . . . 414 LYS HE2 . 27017 2 241 . 2 2 22 22 LYS HE3 H 1 3.220 0.007 . 2 . . . . 414 LYS HE3 . 27017 2 242 . 2 2 22 22 LYS C C 13 179.486 0.006 . 1 . . . . 414 LYS C . 27017 2 243 . 2 2 22 22 LYS CA C 13 60.276 0.087 . 1 . . . . 414 LYS CA . 27017 2 244 . 2 2 22 22 LYS CB C 13 32.327 0.038 . 1 . . . . 414 LYS CB . 27017 2 245 . 2 2 22 22 LYS CG C 13 25.514 0.012 . 1 . . . . 414 LYS CG . 27017 2 246 . 2 2 22 22 LYS CD C 13 29.413 0.013 . 1 . . . . 414 LYS CD . 27017 2 247 . 2 2 22 22 LYS CE C 13 44.939 0.022 . 1 . . . . 414 LYS CE . 27017 2 248 . 2 2 22 22 LYS N N 15 120.332 0.031 . 1 . . . . 414 LYS N . 27017 2 249 . 2 2 23 23 MET H H 1 8.158 0.003 . 1 . . . . 415 MET H . 27017 2 250 . 2 2 23 23 MET HA H 1 4.262 0.005 . 1 . . . . 415 MET HA . 27017 2 251 . 2 2 23 23 MET HB2 H 1 1.982 0.010 . 2 . . . . 415 MET HB2 . 27017 2 252 . 2 2 23 23 MET HB3 H 1 2.271 0.010 . 2 . . . . 415 MET HB3 . 27017 2 253 . 2 2 23 23 MET HG2 H 1 2.570 0.014 . 2 . . . . 415 MET HG2 . 27017 2 254 . 2 2 23 23 MET HG3 H 1 2.751 0.008 . 2 . . . . 415 MET HG3 . 27017 2 255 . 2 2 23 23 MET HE1 H 1 1.618 0.000 . 1 . . . . 415 MET HE1 . 27017 2 256 . 2 2 23 23 MET HE2 H 1 1.618 0.000 . 1 . . . . 415 MET HE2 . 27017 2 257 . 2 2 23 23 MET HE3 H 1 1.618 0.000 . 1 . . . . 415 MET HE3 . 27017 2 258 . 2 2 23 23 MET C C 13 177.792 0.003 . 1 . . . . 415 MET C . 27017 2 259 . 2 2 23 23 MET CA C 13 57.561 0.052 . 1 . . . . 415 MET CA . 27017 2 260 . 2 2 23 23 MET CB C 13 32.002 0.069 . 1 . . . . 415 MET CB . 27017 2 261 . 2 2 23 23 MET CG C 13 32.994 0.068 . 1 . . . . 415 MET CG . 27017 2 262 . 2 2 23 23 MET CE C 13 16.724 0.000 . 1 . . . . 415 MET CE . 27017 2 263 . 2 2 23 23 MET N N 15 116.825 0.048 . 1 . . . . 415 MET N . 27017 2 264 . 2 2 24 24 ALA H H 1 9.133 0.003 . 1 . . . . 416 ALA H . 27017 2 265 . 2 2 24 24 ALA HA H 1 4.181 0.007 . 1 . . . . 416 ALA HA . 27017 2 266 . 2 2 24 24 ALA HB1 H 1 1.570 0.001 . 1 . . . . 416 ALA HB1 . 27017 2 267 . 2 2 24 24 ALA HB2 H 1 1.570 0.001 . 1 . . . . 416 ALA HB2 . 27017 2 268 . 2 2 24 24 ALA HB3 H 1 1.570 0.001 . 1 . . . . 416 ALA HB3 . 27017 2 269 . 2 2 24 24 ALA C C 13 180.119 0.002 . 1 . . . . 416 ALA C . 27017 2 270 . 2 2 24 24 ALA CA C 13 55.344 0.082 . 1 . . . . 416 ALA CA . 27017 2 271 . 2 2 24 24 ALA CB C 13 18.338 0.068 . 1 . . . . 416 ALA CB . 27017 2 272 . 2 2 24 24 ALA N N 15 121.207 0.017 . 1 . . . . 416 ALA N . 27017 2 273 . 2 2 25 25 ARG H H 1 8.330 0.003 . 1 . . . . 417 ARG H . 27017 2 274 . 2 2 25 25 ARG HA H 1 4.166 0.006 . 1 . . . . 417 ARG HA . 27017 2 275 . 2 2 25 25 ARG HB2 H 1 1.895 0.009 . 2 . . . . 417 ARG HB2 . 27017 2 276 . 2 2 25 25 ARG HB3 H 1 2.252 0.012 . 2 . . . . 417 ARG HB3 . 27017 2 277 . 2 2 25 25 ARG HG2 H 1 1.737 0.010 . 1 . . . . 417 ARG HG2 . 27017 2 278 . 2 2 25 25 ARG HD2 H 1 3.259 0.013 . 1 . . . . 417 ARG HD2 . 27017 2 279 . 2 2 25 25 ARG HD3 H 1 3.259 0.013 . 1 . . . . 417 ARG HD3 . 27017 2 280 . 2 2 25 25 ARG HE H 1 7.762 0.001 . 1 . . . . 417 ARG HE . 27017 2 281 . 2 2 25 25 ARG C C 13 177.645 0.037 . 1 . . . . 417 ARG C . 27017 2 282 . 2 2 25 25 ARG CA C 13 59.140 0.030 . 1 . . . . 417 ARG CA . 27017 2 283 . 2 2 25 25 ARG CB C 13 29.738 0.063 . 1 . . . . 417 ARG CB . 27017 2 284 . 2 2 25 25 ARG CG C 13 27.363 0.044 . 1 . . . . 417 ARG CG . 27017 2 285 . 2 2 25 25 ARG CD C 13 43.444 0.075 . 1 . . . . 417 ARG CD . 27017 2 286 . 2 2 25 25 ARG N N 15 119.205 0.046 . 1 . . . . 417 ARG N . 27017 2 287 . 2 2 25 25 ARG NE N 15 84.922 0.006 . 1 . . . . 417 ARG NE . 27017 2 288 . 2 2 26 26 VAL H H 1 7.857 0.005 . 1 . . . . 418 VAL H . 27017 2 289 . 2 2 26 26 VAL HA H 1 3.630 0.005 . 1 . . . . 418 VAL HA . 27017 2 290 . 2 2 26 26 VAL HB H 1 2.287 0.004 . 1 . . . . 418 VAL HB . 27017 2 291 . 2 2 26 26 VAL HG11 H 1 0.976 0.003 . 2 . . . . 418 VAL HG11 . 27017 2 292 . 2 2 26 26 VAL HG12 H 1 0.976 0.003 . 2 . . . . 418 VAL HG12 . 27017 2 293 . 2 2 26 26 VAL HG13 H 1 0.976 0.003 . 2 . . . . 418 VAL HG13 . 27017 2 294 . 2 2 26 26 VAL HG21 H 1 1.092 0.001 . 2 . . . . 418 VAL HG21 . 27017 2 295 . 2 2 26 26 VAL HG22 H 1 1.092 0.001 . 2 . . . . 418 VAL HG22 . 27017 2 296 . 2 2 26 26 VAL HG23 H 1 1.092 0.001 . 2 . . . . 418 VAL HG23 . 27017 2 297 . 2 2 26 26 VAL C C 13 178.034 0.039 . 1 . . . . 418 VAL C . 27017 2 298 . 2 2 26 26 VAL CA C 13 66.740 0.037 . 1 . . . . 418 VAL CA . 27017 2 299 . 2 2 26 26 VAL CB C 13 31.344 0.029 . 1 . . . . 418 VAL CB . 27017 2 300 . 2 2 26 26 VAL CG1 C 13 21.935 0.027 . 2 . . . . 418 VAL CG1 . 27017 2 301 . 2 2 26 26 VAL CG2 C 13 22.429 0.050 . 2 . . . . 418 VAL CG2 . 27017 2 302 . 2 2 26 26 VAL N N 15 119.708 0.052 . 1 . . . . 418 VAL N . 27017 2 303 . 2 2 27 27 PHE H H 1 8.047 0.003 . 1 . . . . 419 PHE H . 27017 2 304 . 2 2 27 27 PHE HA H 1 4.396 0.004 . 1 . . . . 419 PHE HA . 27017 2 305 . 2 2 27 27 PHE HB2 H 1 3.230 0.008 . 2 . . . . 419 PHE HB2 . 27017 2 306 . 2 2 27 27 PHE HB3 H 1 3.452 0.012 . 2 . . . . 419 PHE HB3 . 27017 2 307 . 2 2 27 27 PHE HD1 H 1 7.315 0.005 . 1 . . . . 419 PHE HD1 . 27017 2 308 . 2 2 27 27 PHE HD2 H 1 7.315 0.005 . 1 . . . . 419 PHE HD2 . 27017 2 309 . 2 2 27 27 PHE HE1 H 1 7.346 0.006 . 1 . . . . 419 PHE HE1 . 27017 2 310 . 2 2 27 27 PHE HE2 H 1 7.346 0.006 . 1 . . . . 419 PHE HE2 . 27017 2 311 . 2 2 27 27 PHE HZ H 1 7.090 0.001 . 1 . . . . 419 PHE HZ . 27017 2 312 . 2 2 27 27 PHE C C 13 176.602 0.035 . 1 . . . . 419 PHE C . 27017 2 313 . 2 2 27 27 PHE CA C 13 60.110 0.072 . 1 . . . . 419 PHE CA . 27017 2 314 . 2 2 27 27 PHE CB C 13 38.837 0.063 . 1 . . . . 419 PHE CB . 27017 2 315 . 2 2 27 27 PHE CD1 C 13 131.827 0.079 . 1 . . . . 419 PHE CD1 . 27017 2 316 . 2 2 27 27 PHE CD2 C 13 131.827 0.079 . 1 . . . . 419 PHE CD2 . 27017 2 317 . 2 2 27 27 PHE CE1 C 13 130.851 0.001 . 1 . . . . 419 PHE CE1 . 27017 2 318 . 2 2 27 27 PHE CE2 C 13 130.851 0.001 . 1 . . . . 419 PHE CE2 . 27017 2 319 . 2 2 27 27 PHE CZ C 13 128.772 0.086 . 1 . . . . 419 PHE CZ . 27017 2 320 . 2 2 27 27 PHE N N 15 117.898 0.039 . 1 . . . . 419 PHE N . 27017 2 321 . 2 2 28 28 SER H H 1 8.328 0.004 . 1 . . . . 420 SER H . 27017 2 322 . 2 2 28 28 SER HA H 1 3.897 0.007 . 1 . . . . 420 SER HA . 27017 2 323 . 2 2 28 28 SER HB2 H 1 3.969 0.005 . 2 . . . . 420 SER HB2 . 27017 2 324 . 2 2 28 28 SER HB3 H 1 3.987 0.005 . 2 . . . . 420 SER HB3 . 27017 2 325 . 2 2 28 28 SER C C 13 177.259 0.044 . 1 . . . . 420 SER C . 27017 2 326 . 2 2 28 28 SER CA C 13 61.525 0.044 . 1 . . . . 420 SER CA . 27017 2 327 . 2 2 28 28 SER CB C 13 62.932 0.053 . 1 . . . . 420 SER CB . 27017 2 328 . 2 2 28 28 SER N N 15 114.451 0.046 . 1 . . . . 420 SER N . 27017 2 329 . 2 2 29 29 VAL H H 1 8.078 0.002 . 1 . . . . 421 VAL H . 27017 2 330 . 2 2 29 29 VAL HA H 1 3.773 0.005 . 1 . . . . 421 VAL HA . 27017 2 331 . 2 2 29 29 VAL HB H 1 2.204 0.009 . 1 . . . . 421 VAL HB . 27017 2 332 . 2 2 29 29 VAL HG11 H 1 0.915 0.002 . 2 . . . . 421 VAL HG11 . 27017 2 333 . 2 2 29 29 VAL HG12 H 1 0.915 0.002 . 2 . . . . 421 VAL HG12 . 27017 2 334 . 2 2 29 29 VAL HG13 H 1 0.915 0.002 . 2 . . . . 421 VAL HG13 . 27017 2 335 . 2 2 29 29 VAL HG21 H 1 1.014 0.001 . 2 . . . . 421 VAL HG21 . 27017 2 336 . 2 2 29 29 VAL HG22 H 1 1.014 0.001 . 2 . . . . 421 VAL HG22 . 27017 2 337 . 2 2 29 29 VAL HG23 H 1 1.014 0.001 . 2 . . . . 421 VAL HG23 . 27017 2 338 . 2 2 29 29 VAL C C 13 178.668 0.006 . 1 . . . . 421 VAL C . 27017 2 339 . 2 2 29 29 VAL CA C 13 65.655 0.066 . 1 . . . . 421 VAL CA . 27017 2 340 . 2 2 29 29 VAL CB C 13 31.641 0.103 . 1 . . . . 421 VAL CB . 27017 2 341 . 2 2 29 29 VAL CG1 C 13 21.125 0.051 . 2 . . . . 421 VAL CG1 . 27017 2 342 . 2 2 29 29 VAL CG2 C 13 22.294 0.028 . 2 . . . . 421 VAL CG2 . 27017 2 343 . 2 2 29 29 VAL N N 15 121.268 0.020 . 1 . . . . 421 VAL N . 27017 2 344 . 2 2 30 30 LEU H H 1 7.855 0.002 . 1 . . . . 422 LEU H . 27017 2 345 . 2 2 30 30 LEU HA H 1 4.145 0.005 . 1 . . . . 422 LEU HA . 27017 2 346 . 2 2 30 30 LEU HB2 H 1 1.635 0.009 . 2 . . . . 422 LEU HB2 . 27017 2 347 . 2 2 30 30 LEU HB3 H 1 2.002 0.007 . 2 . . . . 422 LEU HB3 . 27017 2 348 . 2 2 30 30 LEU HD11 H 1 0.911 0.006 . 2 . . . . 422 LEU HD11 . 27017 2 349 . 2 2 30 30 LEU HD12 H 1 0.911 0.006 . 2 . . . . 422 LEU HD12 . 27017 2 350 . 2 2 30 30 LEU HD13 H 1 0.911 0.006 . 2 . . . . 422 LEU HD13 . 27017 2 351 . 2 2 30 30 LEU HD21 H 1 0.929 0.006 . 2 . . . . 422 LEU HD21 . 27017 2 352 . 2 2 30 30 LEU HD22 H 1 0.929 0.006 . 2 . . . . 422 LEU HD22 . 27017 2 353 . 2 2 30 30 LEU HD23 H 1 0.929 0.006 . 2 . . . . 422 LEU HD23 . 27017 2 354 . 2 2 30 30 LEU C C 13 179.332 0.046 . 1 . . . . 422 LEU C . 27017 2 355 . 2 2 30 30 LEU CA C 13 57.181 0.019 . 1 . . . . 422 LEU CA . 27017 2 356 . 2 2 30 30 LEU CB C 13 41.671 0.064 . 1 . . . . 422 LEU CB . 27017 2 357 . 2 2 30 30 LEU CD1 C 13 23.166 0.072 . 2 . . . . 422 LEU CD1 . 27017 2 358 . 2 2 30 30 LEU CD2 C 13 26.875 0.007 . 2 . . . . 422 LEU CD2 . 27017 2 359 . 2 2 30 30 LEU N N 15 120.299 0.015 . 1 . . . . 422 LEU N . 27017 2 360 . 2 2 31 31 ARG H H 1 7.658 0.003 . 1 . . . . 423 ARG H . 27017 2 361 . 2 2 31 31 ARG HA H 1 4.211 0.004 . 1 . . . . 423 ARG HA . 27017 2 362 . 2 2 31 31 ARG HB2 H 1 1.631 0.009 . 2 . . . . 423 ARG HB2 . 27017 2 363 . 2 2 31 31 ARG HB3 H 1 1.706 0.008 . 2 . . . . 423 ARG HB3 . 27017 2 364 . 2 2 31 31 ARG HG2 H 1 1.357 0.007 . 2 . . . . 423 ARG HG2 . 27017 2 365 . 2 2 31 31 ARG HG3 H 1 1.370 0.011 . 2 . . . . 423 ARG HG3 . 27017 2 366 . 2 2 31 31 ARG HD2 H 1 2.954 0.004 . 2 . . . . 423 ARG HD2 . 27017 2 367 . 2 2 31 31 ARG HD3 H 1 2.865 0.009 . 2 . . . . 423 ARG HD3 . 27017 2 368 . 2 2 31 31 ARG HE H 1 8.100 0.004 . 1 . . . . 423 ARG HE . 27017 2 369 . 2 2 31 31 ARG C C 13 176.927 0.024 . 1 . . . . 423 ARG C . 27017 2 370 . 2 2 31 31 ARG CA C 13 56.776 0.055 . 1 . . . . 423 ARG CA . 27017 2 371 . 2 2 31 31 ARG CB C 13 30.299 0.043 . 1 . . . . 423 ARG CB . 27017 2 372 . 2 2 31 31 ARG CG C 13 27.098 0.039 . 1 . . . . 423 ARG CG . 27017 2 373 . 2 2 31 31 ARG CD C 13 42.946 0.070 . 1 . . . . 423 ARG CD . 27017 2 374 . 2 2 31 31 ARG N N 15 117.798 0.023 . 1 . . . . 423 ARG N . 27017 2 375 . 2 2 31 31 ARG NE N 15 86.155 0.028 . 1 . . . . 423 ARG NE . 27017 2 376 . 2 2 32 32 GLU H H 1 7.854 0.003 . 1 . . . . 424 GLU H . 27017 2 377 . 2 2 32 32 GLU HA H 1 4.197 0.002 . 1 . . . . 424 GLU HA . 27017 2 378 . 2 2 32 32 GLU HB2 H 1 2.092 0.003 . 2 . . . . 424 GLU HB2 . 27017 2 379 . 2 2 32 32 GLU HB3 H 1 2.092 0.004 . 2 . . . . 424 GLU HB3 . 27017 2 380 . 2 2 32 32 GLU HG2 H 1 2.314 0.003 . 2 . . . . 424 GLU HG2 . 27017 2 381 . 2 2 32 32 GLU HG3 H 1 2.413 0.003 . 2 . . . . 424 GLU HG3 . 27017 2 382 . 2 2 32 32 GLU C C 13 176.829 0.009 . 1 . . . . 424 GLU C . 27017 2 383 . 2 2 32 32 GLU CA C 13 57.302 0.075 . 1 . . . . 424 GLU CA . 27017 2 384 . 2 2 32 32 GLU CB C 13 30.045 0.063 . 1 . . . . 424 GLU CB . 27017 2 385 . 2 2 32 32 GLU CG C 13 36.132 0.009 . 1 . . . . 424 GLU CG . 27017 2 386 . 2 2 32 32 GLU N N 15 120.720 0.016 . 1 . . . . 424 GLU N . 27017 2 387 . 2 2 33 33 GLU H H 1 8.157 0.002 . 1 . . . . 425 GLU H . 27017 2 388 . 2 2 33 33 GLU HA H 1 4.363 0.005 . 1 . . . . 425 GLU HA . 27017 2 389 . 2 2 33 33 GLU HB2 H 1 1.972 0.005 . 2 . . . . 425 GLU HB2 . 27017 2 390 . 2 2 33 33 GLU HB3 H 1 2.138 0.003 . 2 . . . . 425 GLU HB3 . 27017 2 391 . 2 2 33 33 GLU HG2 H 1 2.369 0.002 . 2 . . . . 425 GLU HG2 . 27017 2 392 . 2 2 33 33 GLU HG3 H 1 2.293 0.003 . 2 . . . . 425 GLU HG3 . 27017 2 393 . 2 2 33 33 GLU C C 13 175.771 0.001 . 1 . . . . 425 GLU C . 27017 2 394 . 2 2 33 33 GLU CA C 13 56.561 0.055 . 1 . . . . 425 GLU CA . 27017 2 395 . 2 2 33 33 GLU CB C 13 30.305 0.053 . 1 . . . . 425 GLU CB . 27017 2 396 . 2 2 33 33 GLU CG C 13 36.163 0.034 . 1 . . . . 425 GLU CG . 27017 2 397 . 2 2 33 33 GLU N N 15 121.022 0.004 . 1 . . . . 425 GLU N . 27017 2 398 . 2 2 34 34 SER H H 1 7.864 0.001 . 1 . . . . 426 SER H . 27017 2 399 . 2 2 34 34 SER HA H 1 4.272 0.001 . 1 . . . . 426 SER HA . 27017 2 400 . 2 2 34 34 SER HB2 H 1 3.869 0.001 . 2 . . . . 426 SER HB2 . 27017 2 401 . 2 2 34 34 SER HB3 H 1 3.870 0.000 . 2 . . . . 426 SER HB3 . 27017 2 402 . 2 2 34 34 SER C C 13 178.764 0.000 . 1 . . . . 426 SER C . 27017 2 403 . 2 2 34 34 SER CA C 13 60.060 0.044 . 1 . . . . 426 SER CA . 27017 2 404 . 2 2 34 34 SER CB C 13 64.851 0.033 . 1 . . . . 426 SER CB . 27017 2 405 . 2 2 34 34 SER N N 15 122.389 0.004 . 1 . . . . 426 SER N . 27017 2 stop_ save_