data_26626 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26626 _Entry.Title ; Backbone 1H, 13C and 15N resonance assignments for CaM-Fas-6-35 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-07 _Entry.Accession_date 2015-08-07 _Entry.Last_release_date 2015-09-04 _Entry.Original_release_date 2015-09-04 _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 Jiri Vlach . . . . 26626 2 Bliss Chang . . . . 26626 3 Alexandra Samal . . . . 26626 4 Timothy Fernandez . . . . 26626 5 Dewey Brooke . . . . 26626 6 Peter Prevelige . . . . 26626 7 Jamil Saad . . . . 26626 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26626 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Saad Lab' . 26626 2 . 'Prevelige Lab' . 26626 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26626 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 276 26626 '15N chemical shifts' 146 26626 '1H chemical shifts' 148 26626 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 . . 2016-06-21 2015-08-07 original author 'update entry citation' 26626 1 . . 2015-09-04 2015-08-07 original author 'original release' 26626 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26627 CaM+Fas47-83 26626 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26626 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26735300 _Citation.Full_citation . _Citation.Title ; Identification of the Calmodulin-Binding Domains of Fas Death Receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e0146493 _Citation.Page_last e0146493 _Citation.Year 2016 _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 Bliss Chang . . . . 26626 1 2 Alexandra Samal . . . . 26626 1 3 Jiri Vlach . . . . 26626 1 4 Timothy Fernandez . . . . 26626 1 5 Dewey Brooke . . . . 26626 1 6 Peter Prevelige . . . . 26626 1 7 Jamil Saad . . . . 26626 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26626 _Assembly.ID 1 _Assembly.Name CaM+Fas _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'not present' _Assembly.Molecular_mass 19939.9655 _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 CaM 1 $CaM A . yes native no no . . . 26626 1 2 Fas-6-35 2 $Fas-6-35 F . no na no no . . . 26626 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CaM _Entity.Sf_category entity _Entity.Sf_framecode CaM _Entity.Entry_ID 26626 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CaM _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _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 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16683.1669 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 ALA . 26626 1 2 2 ASP . 26626 1 3 3 GLN . 26626 1 4 4 LEU . 26626 1 5 5 THR . 26626 1 6 6 GLU . 26626 1 7 7 GLU . 26626 1 8 8 GLN . 26626 1 9 9 ILE . 26626 1 10 10 ALA . 26626 1 11 11 GLU . 26626 1 12 12 PHE . 26626 1 13 13 LYS . 26626 1 14 14 GLU . 26626 1 15 15 ALA . 26626 1 16 16 PHE . 26626 1 17 17 SER . 26626 1 18 18 LEU . 26626 1 19 19 PHE . 26626 1 20 20 ASP . 26626 1 21 21 LYS . 26626 1 22 22 ASP . 26626 1 23 23 GLY . 26626 1 24 24 ASP . 26626 1 25 25 GLY . 26626 1 26 26 THR . 26626 1 27 27 ILE . 26626 1 28 28 THR . 26626 1 29 29 THR . 26626 1 30 30 LYS . 26626 1 31 31 GLU . 26626 1 32 32 LEU . 26626 1 33 33 GLY . 26626 1 34 34 THR . 26626 1 35 35 VAL . 26626 1 36 36 MET . 26626 1 37 37 ARG . 26626 1 38 38 SER . 26626 1 39 39 LEU . 26626 1 40 40 GLY . 26626 1 41 41 GLN . 26626 1 42 42 ASN . 26626 1 43 43 PRO . 26626 1 44 44 THR . 26626 1 45 45 GLU . 26626 1 46 46 ALA . 26626 1 47 47 GLU . 26626 1 48 48 LEU . 26626 1 49 49 GLN . 26626 1 50 50 ASP . 26626 1 51 51 MET . 26626 1 52 52 ILE . 26626 1 53 53 ASN . 26626 1 54 54 GLU . 26626 1 55 55 VAL . 26626 1 56 56 ASP . 26626 1 57 57 ALA . 26626 1 58 58 ASP . 26626 1 59 59 GLY . 26626 1 60 60 ASN . 26626 1 61 61 GLY . 26626 1 62 62 THR . 26626 1 63 63 ILE . 26626 1 64 64 ASP . 26626 1 65 65 PHE . 26626 1 66 66 PRO . 26626 1 67 67 GLU . 26626 1 68 68 PHE . 26626 1 69 69 LEU . 26626 1 70 70 THR . 26626 1 71 71 MET . 26626 1 72 72 MET . 26626 1 73 73 ALA . 26626 1 74 74 ARG . 26626 1 75 75 LYS . 26626 1 76 76 MET . 26626 1 77 77 LYS . 26626 1 78 78 ASP . 26626 1 79 79 THR . 26626 1 80 80 ASP . 26626 1 81 81 SER . 26626 1 82 82 GLU . 26626 1 83 83 GLU . 26626 1 84 84 GLU . 26626 1 85 85 ILE . 26626 1 86 86 ARG . 26626 1 87 87 GLU . 26626 1 88 88 ALA . 26626 1 89 89 PHE . 26626 1 90 90 ARG . 26626 1 91 91 VAL . 26626 1 92 92 PHE . 26626 1 93 93 ASP . 26626 1 94 94 LYS . 26626 1 95 95 ASP . 26626 1 96 96 GLY . 26626 1 97 97 ASN . 26626 1 98 98 GLY . 26626 1 99 99 TYR . 26626 1 100 100 ILE . 26626 1 101 101 SER . 26626 1 102 102 ALA . 26626 1 103 103 ALA . 26626 1 104 104 GLU . 26626 1 105 105 LEU . 26626 1 106 106 ARG . 26626 1 107 107 HIS . 26626 1 108 108 VAL . 26626 1 109 109 MET . 26626 1 110 110 THR . 26626 1 111 111 ASN . 26626 1 112 112 LEU . 26626 1 113 113 GLY . 26626 1 114 114 GLU . 26626 1 115 115 LYS . 26626 1 116 116 LEU . 26626 1 117 117 THR . 26626 1 118 118 ASP . 26626 1 119 119 GLU . 26626 1 120 120 GLU . 26626 1 121 121 VAL . 26626 1 122 122 ASP . 26626 1 123 123 GLU . 26626 1 124 124 MET . 26626 1 125 125 ILE . 26626 1 126 126 ARG . 26626 1 127 127 GLU . 26626 1 128 128 ALA . 26626 1 129 129 ASP . 26626 1 130 130 ILE . 26626 1 131 131 ASP . 26626 1 132 132 GLY . 26626 1 133 133 ASP . 26626 1 134 134 GLY . 26626 1 135 135 GLN . 26626 1 136 136 VAL . 26626 1 137 137 ASN . 26626 1 138 138 TYR . 26626 1 139 139 GLU . 26626 1 140 140 GLU . 26626 1 141 141 PHE . 26626 1 142 142 VAL . 26626 1 143 143 GLN . 26626 1 144 144 MET . 26626 1 145 145 MET . 26626 1 146 146 THR . 26626 1 147 147 ALA . 26626 1 148 148 LYS . 26626 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 26626 1 . ASP 2 2 26626 1 . GLN 3 3 26626 1 . LEU 4 4 26626 1 . THR 5 5 26626 1 . GLU 6 6 26626 1 . GLU 7 7 26626 1 . GLN 8 8 26626 1 . ILE 9 9 26626 1 . ALA 10 10 26626 1 . GLU 11 11 26626 1 . PHE 12 12 26626 1 . LYS 13 13 26626 1 . GLU 14 14 26626 1 . ALA 15 15 26626 1 . PHE 16 16 26626 1 . SER 17 17 26626 1 . LEU 18 18 26626 1 . PHE 19 19 26626 1 . ASP 20 20 26626 1 . LYS 21 21 26626 1 . ASP 22 22 26626 1 . GLY 23 23 26626 1 . ASP 24 24 26626 1 . GLY 25 25 26626 1 . THR 26 26 26626 1 . ILE 27 27 26626 1 . THR 28 28 26626 1 . THR 29 29 26626 1 . LYS 30 30 26626 1 . GLU 31 31 26626 1 . LEU 32 32 26626 1 . GLY 33 33 26626 1 . THR 34 34 26626 1 . VAL 35 35 26626 1 . MET 36 36 26626 1 . ARG 37 37 26626 1 . SER 38 38 26626 1 . LEU 39 39 26626 1 . GLY 40 40 26626 1 . GLN 41 41 26626 1 . ASN 42 42 26626 1 . PRO 43 43 26626 1 . THR 44 44 26626 1 . GLU 45 45 26626 1 . ALA 46 46 26626 1 . GLU 47 47 26626 1 . LEU 48 48 26626 1 . GLN 49 49 26626 1 . ASP 50 50 26626 1 . MET 51 51 26626 1 . ILE 52 52 26626 1 . ASN 53 53 26626 1 . GLU 54 54 26626 1 . VAL 55 55 26626 1 . ASP 56 56 26626 1 . ALA 57 57 26626 1 . ASP 58 58 26626 1 . GLY 59 59 26626 1 . ASN 60 60 26626 1 . GLY 61 61 26626 1 . THR 62 62 26626 1 . ILE 63 63 26626 1 . ASP 64 64 26626 1 . PHE 65 65 26626 1 . PRO 66 66 26626 1 . GLU 67 67 26626 1 . PHE 68 68 26626 1 . LEU 69 69 26626 1 . THR 70 70 26626 1 . MET 71 71 26626 1 . MET 72 72 26626 1 . ALA 73 73 26626 1 . ARG 74 74 26626 1 . LYS 75 75 26626 1 . MET 76 76 26626 1 . LYS 77 77 26626 1 . ASP 78 78 26626 1 . THR 79 79 26626 1 . ASP 80 80 26626 1 . SER 81 81 26626 1 . GLU 82 82 26626 1 . GLU 83 83 26626 1 . GLU 84 84 26626 1 . ILE 85 85 26626 1 . ARG 86 86 26626 1 . GLU 87 87 26626 1 . ALA 88 88 26626 1 . PHE 89 89 26626 1 . ARG 90 90 26626 1 . VAL 91 91 26626 1 . PHE 92 92 26626 1 . ASP 93 93 26626 1 . LYS 94 94 26626 1 . ASP 95 95 26626 1 . GLY 96 96 26626 1 . ASN 97 97 26626 1 . GLY 98 98 26626 1 . TYR 99 99 26626 1 . ILE 100 100 26626 1 . SER 101 101 26626 1 . ALA 102 102 26626 1 . ALA 103 103 26626 1 . GLU 104 104 26626 1 . LEU 105 105 26626 1 . ARG 106 106 26626 1 . HIS 107 107 26626 1 . VAL 108 108 26626 1 . MET 109 109 26626 1 . THR 110 110 26626 1 . ASN 111 111 26626 1 . LEU 112 112 26626 1 . GLY 113 113 26626 1 . GLU 114 114 26626 1 . LYS 115 115 26626 1 . LEU 116 116 26626 1 . THR 117 117 26626 1 . ASP 118 118 26626 1 . GLU 119 119 26626 1 . GLU 120 120 26626 1 . VAL 121 121 26626 1 . ASP 122 122 26626 1 . GLU 123 123 26626 1 . MET 124 124 26626 1 . ILE 125 125 26626 1 . ARG 126 126 26626 1 . GLU 127 127 26626 1 . ALA 128 128 26626 1 . ASP 129 129 26626 1 . ILE 130 130 26626 1 . ASP 131 131 26626 1 . GLY 132 132 26626 1 . ASP 133 133 26626 1 . GLY 134 134 26626 1 . GLN 135 135 26626 1 . VAL 136 136 26626 1 . ASN 137 137 26626 1 . TYR 138 138 26626 1 . GLU 139 139 26626 1 . GLU 140 140 26626 1 . PHE 141 141 26626 1 . VAL 142 142 26626 1 . GLN 143 143 26626 1 . MET 144 144 26626 1 . MET 145 145 26626 1 . THR 146 146 26626 1 . ALA 147 147 26626 1 . LYS 148 148 26626 1 stop_ save_ save_Fas-6-35 _Entity.Sf_category entity _Entity.Sf_framecode Fas-6-35 _Entity.Entry_ID 26626 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Fas-6-35 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID F _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DVDLSKYITTIAGVMTLSQV KGFVRKNGVN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This is a fragment of FAS death domain, FAS residues 226-255.' _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 30 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3256.7986 _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 NP_000034.1 . FAS . . . . . . . . . . . . . . 26626 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 . ASP . 26626 2 2 . VAL . 26626 2 3 . ASP . 26626 2 4 . LEU . 26626 2 5 . SER . 26626 2 6 . LYS . 26626 2 7 . TYR . 26626 2 8 . ILE . 26626 2 9 . THR . 26626 2 10 . THR . 26626 2 11 . ILE . 26626 2 12 . ALA . 26626 2 13 . GLY . 26626 2 14 . VAL . 26626 2 15 . MET . 26626 2 16 . THR . 26626 2 17 . LEU . 26626 2 18 . SER . 26626 2 19 . GLN . 26626 2 20 . VAL . 26626 2 21 . LYS . 26626 2 22 . GLY . 26626 2 23 . PHE . 26626 2 24 . VAL . 26626 2 25 . ARG . 26626 2 26 . LYS . 26626 2 27 . ASN . 26626 2 28 . GLY . 26626 2 29 . VAL . 26626 2 30 . ASN . 26626 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 . ASP 1 1 26626 2 . VAL 2 2 26626 2 . ASP 3 3 26626 2 . LEU 4 4 26626 2 . SER 5 5 26626 2 . LYS 6 6 26626 2 . TYR 7 7 26626 2 . ILE 8 8 26626 2 . THR 9 9 26626 2 . THR 10 10 26626 2 . ILE 11 11 26626 2 . ALA 12 12 26626 2 . GLY 13 13 26626 2 . VAL 14 14 26626 2 . MET 15 15 26626 2 . THR 16 16 26626 2 . LEU 17 17 26626 2 . SER 18 18 26626 2 . GLN 19 19 26626 2 . VAL 20 20 26626 2 . LYS 21 21 26626 2 . GLY 22 22 26626 2 . PHE 23 23 26626 2 . VAL 24 24 26626 2 . ARG 25 25 26626 2 . LYS 26 26 26626 2 . ASN 27 27 26626 2 . GLY 28 28 26626 2 . VAL 29 29 26626 2 . ASN 30 30 26626 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26626 _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 $CaM . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 26626 1 2 2 $Fas-6-35 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26626 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 26626 _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 $CaM . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21 . . . . . pT7-7 . . . 26626 1 2 2 $Fas-6-35 . 'chemical synthesis' . 'Escherichia coli' . . . . . . . . . . . . . . 26626 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 26626 _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 CaM '[[U-95% 13C; U-95% 15N]]' . . 1 $CaM . . 0.5 . . mM . . . . 26626 1 2 Fas-6-35 'natural abundance' . . 2 $Fas-6-35 . . 0.5 . . mM . . . . 26626 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26626 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26626 1 5 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 26626 1 6 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26626 1 7 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 26626 1 stop_ save_ save_13C15N _Sample.Sf_category sample _Sample.Sf_framecode 13C15N _Sample.Entry_ID 26626 _Sample.ID 2 _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 CaM '[[U-95% 13C; U-95% 15N]]' . . 1 $CaM . . 0.5 . . mM . . . . 26626 2 2 Fas-6-35 'natural abundance' . . 2 $Fas-6-35 . . 0.5 . . mM . . . . 26626 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26626 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26626 2 5 Tris 'natural abundance' . . . . . . 50 . . mM . . . . 26626 2 6 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26626 2 7 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 26626 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond _Sample_condition_list.Entry_ID 26626 _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' 0.115 . M 26626 1 pH 7.000 . pH 26626 1 pressure 1.000 . atm 26626 1 temperature 308.000 . K 26626 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26626 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 26626 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26626 1 stop_ save_ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 26626 _Software.ID 2 _Software.Name nmrDraw _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26626 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis' 26626 2 'Spectrum display' 26626 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 26626 _Software.ID 3 _Software.Name nmrPipe _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26626 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 26626 3 stop_ save_ save_nmrView _Software.Sf_category software _Software.Sf_framecode nmrView _Software.Entry_ID 26626 _Software.ID 4 _Software.Name nmrView _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26626 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis' 26626 4 'Spectrum display' 26626 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26626 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 26626 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 700 . . . 26626 1 stop_ save_ save_CTCI _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode CTCI _NMR_spectrometer_probe.Entry_ID 26626 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer . _NMR_spectrometer_probe.Model . _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 26626 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 26626 _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/HMQC' no . . . . . . . . . . 1 $15N isotropic . . 1 $cond . . . 1 $spectrometer_1 1 $CTCI . . . . . . . . . . . . . . 26626 1 2 '3D HNCA' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $cond . . . 1 $spectrometer_1 1 $CTCI . . . . . . . . . . . . . . 26626 1 3 '3D HNCACB' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $cond . . . 1 $spectrometer_1 1 $CTCI . . . . . . . . . . . . . . 26626 1 4 'HNcoCA (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $cond . . . 1 $spectrometer_1 1 $CTCI . . . . . . . . . . . . . . 26626 1 5 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 2 $13C15N isotropic . . 1 $cond . . . 1 $spectrometer_1 1 $CTCI . . . . . . . . . . . . . . 26626 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N isotropic . . 1 $cond . . . 1 $spectrometer_1 1 $CTCI . . . . . . . . . . . . . . 26626 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 26626 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26626 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26626 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26626 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26626 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond _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/HMQC' 1 $15N isotropic 26626 1 2 '3D HNCA' 2 $13C15N isotropic 26626 1 3 '3D HNCACB' 2 $13C15N isotropic 26626 1 4 'HNcoCA (H[N[co[{CA|ca[C]}]]])' 2 $13C15N isotropic 26626 1 5 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' 2 $13C15N isotropic 26626 1 6 '3D 1H-15N NOESY' 1 $15N isotropic 26626 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 1 $CcpNmr_Analysis . . 26626 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 2 2 ASP CA C 13 54.821 0.022 . 1 . 340 . . 2 ASP CA . 26626 1 2 . 1 1 2 2 ASP CB C 13 41.389 0.013 . 1 . 342 . . 2 ASP CB . 26626 1 3 . 1 1 3 3 GLN H H 1 8.325 0.002 . 1 . 339 . . 3 GLN H . 26626 1 4 . 1 1 3 3 GLN CA C 13 55.572 0.019 . 1 . 337 . . 3 GLN CA . 26626 1 5 . 1 1 3 3 GLN CB C 13 29.944 0.009 . 1 . 343 . . 3 GLN CB . 26626 1 6 . 1 1 3 3 GLN N N 15 119.662 0.012 . 1 . 338 . . 3 GLN N . 26626 1 7 . 1 1 4 4 LEU H H 1 8.290 0.002 . 1 . 334 . . 4 LEU H . 26626 1 8 . 1 1 4 4 LEU CA C 13 54.455 0.013 . 1 . 336 . . 4 LEU CA . 26626 1 9 . 1 1 4 4 LEU CB C 13 43.636 0.016 . 1 . 341 . . 4 LEU CB . 26626 1 10 . 1 1 4 4 LEU N N 15 123.085 0.043 . 1 . 335 . . 4 LEU N . 26626 1 11 . 1 1 5 5 THR H H 1 8.706 0.001 . 1 . 345 . . 5 THR H . 26626 1 12 . 1 1 5 5 THR CA C 13 60.512 0.042 . 1 . 347 . . 5 THR CA . 26626 1 13 . 1 1 5 5 THR CB C 13 71.253 0.006 . 1 . 346 . . 5 THR CB . 26626 1 14 . 1 1 5 5 THR N N 15 113.065 0.024 . 1 . 344 . . 5 THR N . 26626 1 15 . 1 1 6 6 GLU H H 1 9.027 0.002 . 1 . 349 . . 6 GLU H . 26626 1 16 . 1 1 6 6 GLU CA C 13 60.194 0.03 . 1 . 351 . . 6 GLU CA . 26626 1 17 . 1 1 6 6 GLU CB C 13 29.253 0.009 . 1 . 350 . . 6 GLU CB . 26626 1 18 . 1 1 6 6 GLU N N 15 120.476 0.013 . 1 . 348 . . 6 GLU N . 26626 1 19 . 1 1 7 7 GLU H H 1 8.724 0.004 . 1 . 353 . . 7 GLU H . 26626 1 20 . 1 1 7 7 GLU CA C 13 60.135 0.011 . 1 . 354 . . 7 GLU CA . 26626 1 21 . 1 1 7 7 GLU CB C 13 29.087 0.017 . 1 . 355 . . 7 GLU CB . 26626 1 22 . 1 1 7 7 GLU N N 15 119.564 0.042 . 1 . 352 . . 7 GLU N . 26626 1 23 . 1 1 8 8 GLN H H 1 7.742 0.004 . 1 . 356 . . 8 GLN H . 26626 1 24 . 1 1 8 8 GLN CA C 13 58.726 0.045 . 1 . 360 . . 8 GLN CA . 26626 1 25 . 1 1 8 8 GLN CB C 13 29.268 0.058 . 1 . 363 . . 8 GLN CB . 26626 1 26 . 1 1 8 8 GLN N N 15 120.205 0.028 . 1 . 357 . . 8 GLN N . 26626 1 27 . 1 1 9 9 ILE H H 1 8.352 0.003 . 1 . 359 . . 9 ILE H . 26626 1 28 . 1 1 9 9 ILE CA C 13 66.631 0.03 . 1 . 361 . . 9 ILE CA . 26626 1 29 . 1 1 9 9 ILE CB C 13 37.981 0.03 . 1 . 362 . . 9 ILE CB . 26626 1 30 . 1 1 9 9 ILE N N 15 119.508 0.021 . 1 . 358 . . 9 ILE N . 26626 1 31 . 1 1 10 10 ALA H H 1 8.008 0.002 . 1 . 372 . . 10 ALA H . 26626 1 32 . 1 1 10 10 ALA CA C 13 55.449 0.017 . 1 . 373 . . 10 ALA CA . 26626 1 33 . 1 1 10 10 ALA CB C 13 17.827 0.021 . 1 . 374 . . 10 ALA CB . 26626 1 34 . 1 1 10 10 ALA N N 15 121.181 0.02 . 1 . 371 . . 10 ALA N . 26626 1 35 . 1 1 11 11 GLU H H 1 7.802 0.004 . 1 . 376 . . 11 GLU H . 26626 1 36 . 1 1 11 11 GLU CA C 13 59.448 0.056 . 1 . 378 . . 11 GLU CA . 26626 1 37 . 1 1 11 11 GLU CB C 13 29.145 0.054 . 1 . 377 . . 11 GLU CB . 26626 1 38 . 1 1 11 11 GLU N N 15 119.401 0.05 . 1 . 375 . . 11 GLU N . 26626 1 39 . 1 1 12 12 PHE H H 1 8.541 0.006 . 1 . 380 . . 12 PHE H . 26626 1 40 . 1 1 12 12 PHE CA C 13 59.676 0.006 . 1 . 381 . . 12 PHE CA . 26626 1 41 . 1 1 12 12 PHE CB C 13 37.704 0.01 . 1 . 382 . . 12 PHE CB . 26626 1 42 . 1 1 12 12 PHE N N 15 119.517 0.09 . 1 . 379 . . 12 PHE N . 26626 1 43 . 1 1 13 13 LYS H H 1 9.144 0.003 . 1 . 383 . . 13 LYS H . 26626 1 44 . 1 1 13 13 LYS CA C 13 60.048 0.047 . 1 . 385 . . 13 LYS CA . 26626 1 45 . 1 1 13 13 LYS CB C 13 31.757 0.054 . 1 . 386 . . 13 LYS CB . 26626 1 46 . 1 1 13 13 LYS N N 15 123.597 0.02 . 1 . 384 . . 13 LYS N . 26626 1 47 . 1 1 14 14 GLU H H 1 7.845 0.003 . 1 . 388 . . 14 GLU H . 26626 1 48 . 1 1 14 14 GLU CA C 13 59.412 0.044 . 1 . 389 . . 14 GLU CA . 26626 1 49 . 1 1 14 14 GLU CB C 13 29.384 . . 1 . 903 . . 14 GLU CB . 26626 1 50 . 1 1 14 14 GLU N N 15 119.710 0.105 . 1 . 387 . . 14 GLU N . 26626 1 51 . 1 1 15 15 ALA H H 1 7.815 0.003 . 1 . 391 . . 15 ALA H . 26626 1 52 . 1 1 15 15 ALA CA C 13 55.136 0.018 . 1 . 397 . . 15 ALA CA . 26626 1 53 . 1 1 15 15 ALA CB C 13 18.614 0.029 . 1 . 398 . . 15 ALA CB . 26626 1 54 . 1 1 15 15 ALA N N 15 121.679 0.064 . 1 . 390 . . 15 ALA N . 26626 1 55 . 1 1 16 16 PHE H H 1 8.797 0.005 . 1 . 393 . . 16 PHE H . 26626 1 56 . 1 1 16 16 PHE CA C 13 62.220 0.039 . 1 . 396 . . 16 PHE CA . 26626 1 57 . 1 1 16 16 PHE CB C 13 39.758 0.014 . 1 . 395 . . 16 PHE CB . 26626 1 58 . 1 1 16 16 PHE N N 15 118.960 0.074 . 1 . 394 . . 16 PHE N . 26626 1 59 . 1 1 17 17 SER H H 1 8.099 0.002 . 1 . 400 . . 17 SER H . 26626 1 60 . 1 1 17 17 SER CA C 13 61.665 0.039 . 1 . 401 . . 17 SER CA . 26626 1 61 . 1 1 17 17 SER CB C 13 63.513 0.035 . 1 . 402 . . 17 SER CB . 26626 1 62 . 1 1 17 17 SER N N 15 113.284 0.029 . 1 . 399 . . 17 SER N . 26626 1 63 . 1 1 18 18 LEU H H 1 7.457 0.004 . 1 . 408 . . 18 LEU H . 26626 1 64 . 1 1 18 18 LEU CA C 13 57.347 0.054 . 1 . 406 . . 18 LEU CA . 26626 1 65 . 1 1 18 18 LEU CB C 13 41.184 0.033 . 1 . 409 . . 18 LEU CB . 26626 1 66 . 1 1 18 18 LEU N N 15 120.699 0.041 . 1 . 407 . . 18 LEU N . 26626 1 67 . 1 1 19 19 PHE H H 1 7.199 0.004 . 1 . 404 . . 19 PHE H . 26626 1 68 . 1 1 19 19 PHE CA C 13 59.408 0.037 . 1 . 405 . . 19 PHE CA . 26626 1 69 . 1 1 19 19 PHE CB C 13 41.470 0.061 . 1 . 412 . . 19 PHE CB . 26626 1 70 . 1 1 19 19 PHE N N 15 114.021 0.07 . 1 . 403 . . 19 PHE N . 26626 1 71 . 1 1 20 20 ASP H H 1 7.797 0.003 . 1 . 411 . . 20 ASP H . 26626 1 72 . 1 1 20 20 ASP CA C 13 52.447 0.005 . 1 . 413 . . 20 ASP CA . 26626 1 73 . 1 1 20 20 ASP CB C 13 39.422 0.021 . 1 . 414 . . 20 ASP CB . 26626 1 74 . 1 1 20 20 ASP N N 15 116.917 0.045 . 1 . 410 . . 20 ASP N . 26626 1 75 . 1 1 21 21 LYS H H 1 7.674 0.002 . 1 . 416 . . 21 LYS H . 26626 1 76 . 1 1 21 21 LYS CA C 13 58.382 0.061 . 1 . 417 . . 21 LYS CA . 26626 1 77 . 1 1 21 21 LYS CB C 13 32.695 0.053 . 1 . 422 . . 21 LYS CB . 26626 1 78 . 1 1 21 21 LYS N N 15 124.001 0.049 . 1 . 415 . . 21 LYS N . 26626 1 79 . 1 1 22 22 ASP H H 1 8.060 0.002 . 1 . 419 . . 22 ASP H . 26626 1 80 . 1 1 22 22 ASP CA C 13 52.889 0.024 . 1 . 420 . . 22 ASP CA . 26626 1 81 . 1 1 22 22 ASP CB C 13 39.595 0.024 . 1 . 421 . . 22 ASP CB . 26626 1 82 . 1 1 22 22 ASP N N 15 114.112 0.015 . 1 . 418 . . 22 ASP N . 26626 1 83 . 1 1 23 23 GLY H H 1 7.712 0.003 . 1 . 424 . . 23 GLY H . 26626 1 84 . 1 1 23 23 GLY CA C 13 47.293 0.041 . 1 . 425 . . 23 GLY CA . 26626 1 85 . 1 1 23 23 GLY N N 15 109.372 0.031 . 1 . 423 . . 23 GLY N . 26626 1 86 . 1 1 24 24 ASP H H 1 8.470 0.002 . 1 . 430 . . 24 ASP H . 26626 1 87 . 1 1 24 24 ASP CA C 13 53.749 0.024 . 1 . 431 . . 24 ASP CA . 26626 1 88 . 1 1 24 24 ASP CB C 13 40.503 . . 1 . 428 . . 24 ASP CB . 26626 1 89 . 1 1 24 24 ASP N N 15 120.976 0.021 . 1 . 429 . . 24 ASP N . 26626 1 90 . 1 1 25 25 GLY H H 1 10.608 0.002 . 1 . 427 . . 25 GLY H . 26626 1 91 . 1 1 25 25 GLY CA C 13 45.449 0.017 . 1 . 432 . . 25 GLY CA . 26626 1 92 . 1 1 25 25 GLY N N 15 112.991 0.026 . 1 . 426 . . 25 GLY N . 26626 1 93 . 1 1 26 26 THR H H 1 8.193 0.003 . 1 . 434 . . 26 THR H . 26626 1 94 . 1 1 26 26 THR CA C 13 59.891 0.056 . 1 . 435 . . 26 THR CA . 26626 1 95 . 1 1 26 26 THR CB C 13 72.745 0.012 . 1 . 436 . . 26 THR CB . 26626 1 96 . 1 1 26 26 THR N N 15 112.646 0.024 . 1 . 433 . . 26 THR N . 26626 1 97 . 1 1 27 27 ILE H H 1 9.802 0.002 . 1 . 438 . . 27 ILE H . 26626 1 98 . 1 1 27 27 ILE CA C 13 61.019 0.047 . 1 . 439 . . 27 ILE CA . 26626 1 99 . 1 1 27 27 ILE CB C 13 39.788 0.027 . 1 . 440 . . 27 ILE CB . 26626 1 100 . 1 1 27 27 ILE N N 15 127.022 0.041 . 1 . 437 . . 27 ILE N . 26626 1 101 . 1 1 28 28 THR H H 1 8.470 0.005 . 1 . 442 . . 28 THR H . 26626 1 102 . 1 1 28 28 THR CA C 13 59.623 0.049 . 1 . 443 . . 28 THR CA . 26626 1 103 . 1 1 28 28 THR CB C 13 72.564 0.029 . 1 . 444 . . 28 THR CB . 26626 1 104 . 1 1 28 28 THR N N 15 116.472 0.045 . 1 . 441 . . 28 THR N . 26626 1 105 . 1 1 29 29 THR H H 1 9.217 0.002 . 1 . 446 . . 29 THR H . 26626 1 106 . 1 1 29 29 THR CA C 13 66.403 0.05 . 1 . 447 . . 29 THR CA . 26626 1 107 . 1 1 29 29 THR CB C 13 67.824 0.055 . 1 . 448 . . 29 THR CB . 26626 1 108 . 1 1 29 29 THR N N 15 112.473 0.048 . 1 . 445 . . 29 THR N . 26626 1 109 . 1 1 30 30 LYS H H 1 7.613 0.002 . 1 . 450 . . 30 LYS H . 26626 1 110 . 1 1 30 30 LYS CA C 13 59.294 0.039 . 1 . 451 . . 30 LYS CA . 26626 1 111 . 1 1 30 30 LYS CB C 13 32.564 0.015 . 1 . 452 . . 30 LYS CB . 26626 1 112 . 1 1 30 30 LYS N N 15 121.274 0.034 . 1 . 449 . . 30 LYS N . 26626 1 113 . 1 1 31 31 GLU H H 1 7.749 0.002 . 1 . 454 . . 31 GLU H . 26626 1 114 . 1 1 31 31 GLU CA C 13 59.487 0.016 . 1 . 455 . . 31 GLU CA . 26626 1 115 . 1 1 31 31 GLU CB C 13 29.766 0.008 . 1 . 456 . . 31 GLU CB . 26626 1 116 . 1 1 31 31 GLU N N 15 121.887 0.05 . 1 . 453 . . 31 GLU N . 26626 1 117 . 1 1 32 32 LEU H H 1 8.790 0.004 . 1 . 458 . . 32 LEU H . 26626 1 118 . 1 1 32 32 LEU CA C 13 58.193 0.01 . 1 . 460 . . 32 LEU CA . 26626 1 119 . 1 1 32 32 LEU CB C 13 42.424 0.02 . 1 . 459 . . 32 LEU CB . 26626 1 120 . 1 1 32 32 LEU N N 15 120.679 0.012 . 1 . 457 . . 32 LEU N . 26626 1 121 . 1 1 33 33 GLY H H 1 8.835 0.002 . 1 . 462 . . 33 GLY H . 26626 1 122 . 1 1 33 33 GLY CA C 13 48.445 0.029 . 1 . 463 . . 33 GLY CA . 26626 1 123 . 1 1 33 33 GLY N N 15 106.083 0.008 . 1 . 461 . . 33 GLY N . 26626 1 124 . 1 1 34 34 THR H H 1 8.023 0.002 . 1 . 465 . . 34 THR H . 26626 1 125 . 1 1 34 34 THR CA C 13 67.178 0.054 . 1 . 466 . . 34 THR CA . 26626 1 126 . 1 1 34 34 THR CB C 13 68.901 0.012 . 1 . 467 . . 34 THR CB . 26626 1 127 . 1 1 34 34 THR N N 15 118.272 0.018 . 1 . 464 . . 34 THR N . 26626 1 128 . 1 1 35 35 VAL H H 1 7.626 0.002 . 1 . 468 . . 35 VAL H . 26626 1 129 . 1 1 35 35 VAL CA C 13 66.681 0.018 . 1 . 470 . . 35 VAL CA . 26626 1 130 . 1 1 35 35 VAL CB C 13 31.594 0.046 . 1 . 471 . . 35 VAL CB . 26626 1 131 . 1 1 35 35 VAL N N 15 122.103 0.039 . 1 . 469 . . 35 VAL N . 26626 1 132 . 1 1 36 36 MET H H 1 8.474 0.003 . 1 . 473 . . 36 MET H . 26626 1 133 . 1 1 36 36 MET CA C 13 60.349 0.061 . 1 . 474 . . 36 MET CA . 26626 1 134 . 1 1 36 36 MET CB C 13 31.653 0.026 . 1 . 904 . . 36 MET CB . 26626 1 135 . 1 1 36 36 MET N N 15 117.796 0.059 . 1 . 472 . . 36 MET N . 26626 1 136 . 1 1 37 37 ARG H H 1 8.674 0.005 . 1 . 481 . . 37 ARG H . 26626 1 137 . 1 1 37 37 ARG CA C 13 59.237 0.034 . 1 . 479 . . 37 ARG CA . 26626 1 138 . 1 1 37 37 ARG CB C 13 30.067 0.056 . 1 . 482 . . 37 ARG CB . 26626 1 139 . 1 1 37 37 ARG N N 15 119.164 0.081 . 1 . 480 . . 37 ARG N . 26626 1 140 . 1 1 38 38 SER H H 1 8.015 0.007 . 1 . 476 . . 38 SER H . 26626 1 141 . 1 1 38 38 SER CA C 13 61.999 0.041 . 1 . 477 . . 38 SER CA . 26626 1 142 . 1 1 38 38 SER CB C 13 62.917 0.009 . 1 . 478 . . 38 SER CB . 26626 1 143 . 1 1 38 38 SER N N 15 119.043 0.045 . 1 . 475 . . 38 SER N . 26626 1 144 . 1 1 39 39 LEU H H 1 7.290 0.005 . 1 . 484 . . 39 LEU H . 26626 1 145 . 1 1 39 39 LEU CA C 13 54.132 0.007 . 1 . 485 . . 39 LEU CA . 26626 1 146 . 1 1 39 39 LEU CB C 13 41.587 0.009 . 1 . 486 . . 39 LEU CB . 26626 1 147 . 1 1 39 39 LEU N N 15 118.986 0.048 . 1 . 483 . . 39 LEU N . 26626 1 148 . 1 1 40 40 GLY H H 1 7.807 0.006 . 1 . 488 . . 40 GLY H . 26626 1 149 . 1 1 40 40 GLY CA C 13 45.723 0.028 . 1 . 489 . . 40 GLY CA . 26626 1 150 . 1 1 40 40 GLY N N 15 106.618 0.04 . 1 . 487 . . 40 GLY N . 26626 1 151 . 1 1 41 41 GLN H H 1 7.915 0.007 . 1 . 491 . . 41 GLN H . 26626 1 152 . 1 1 41 41 GLN CA C 13 54.307 0.025 . 1 . 492 . . 41 GLN CA . 26626 1 153 . 1 1 41 41 GLN CB C 13 30.479 0.07 . 1 . 495 . . 41 GLN CB . 26626 1 154 . 1 1 41 41 GLN N N 15 118.517 0.03 . 1 . 490 . . 41 GLN N . 26626 1 155 . 1 1 42 42 ASN H H 1 8.713 0.002 . 1 . 494 . . 42 ASN H . 26626 1 156 . 1 1 42 42 ASN CA C 13 51.437 0.005 . 1 . 497 . . 42 ASN CA . 26626 1 157 . 1 1 42 42 ASN CB C 13 39.333 . . 1 . 496 . . 42 ASN CB . 26626 1 158 . 1 1 42 42 ASN N N 15 116.278 0.055 . 1 . 493 . . 42 ASN N . 26626 1 159 . 1 1 43 43 PRO CA C 13 62.466 0.033 . 1 . 501 . . 43 PRO CA . 26626 1 160 . 1 1 43 43 PRO CB C 13 32.104 0.027 . 1 . 503 . . 43 PRO CB . 26626 1 161 . 1 1 44 44 THR H H 1 8.902 0.003 . 1 . 499 . . 44 THR H . 26626 1 162 . 1 1 44 44 THR CA C 13 60.597 0.043 . 1 . 500 . . 44 THR CA . 26626 1 163 . 1 1 44 44 THR CB C 13 71.209 0.01 . 1 . 502 . . 44 THR CB . 26626 1 164 . 1 1 44 44 THR N N 15 113.015 0.026 . 1 . 498 . . 44 THR N . 26626 1 165 . 1 1 45 45 GLU H H 1 8.799 0.001 . 1 . 505 . . 45 GLU H . 26626 1 166 . 1 1 45 45 GLU CA C 13 60.070 0.054 . 1 . 506 . . 45 GLU CA . 26626 1 167 . 1 1 45 45 GLU CB C 13 29.047 0.026 . 1 . 518 . . 45 GLU CB . 26626 1 168 . 1 1 45 45 GLU N N 15 120.694 0.05 . 1 . 504 . . 45 GLU N . 26626 1 169 . 1 1 46 46 ALA H H 1 8.256 0.002 . 1 . 508 . . 46 ALA H . 26626 1 170 . 1 1 46 46 ALA CA C 13 55.121 0.01 . 1 . 509 . . 46 ALA CA . 26626 1 171 . 1 1 46 46 ALA CB C 13 18.203 0.023 . 1 . 510 . . 46 ALA CB . 26626 1 172 . 1 1 46 46 ALA N N 15 120.714 0.014 . 1 . 507 . . 46 ALA N . 26626 1 173 . 1 1 47 47 GLU H H 1 7.678 0.006 . 1 . 512 . . 47 GLU H . 26626 1 174 . 1 1 47 47 GLU CA C 13 59.167 0.037 . 1 . 513 . . 47 GLU CA . 26626 1 175 . 1 1 47 47 GLU CB C 13 29.743 0.016 . 1 . 514 . . 47 GLU CB . 26626 1 176 . 1 1 47 47 GLU N N 15 118.593 0.017 . 1 . 511 . . 47 GLU N . 26626 1 177 . 1 1 48 48 LEU H H 1 8.244 0.005 . 1 . 516 . . 48 LEU H . 26626 1 178 . 1 1 48 48 LEU CA C 13 58.067 0.054 . 1 . 517 . . 48 LEU CA . 26626 1 179 . 1 1 48 48 LEU CB C 13 42.767 0.035 . 1 . 528 . . 48 LEU CB . 26626 1 180 . 1 1 48 48 LEU N N 15 119.901 0.114 . 1 . 515 . . 48 LEU N . 26626 1 181 . 1 1 49 49 GLN H H 1 8.206 0.003 . 1 . 526 . . 49 GLN H . 26626 1 182 . 1 1 49 49 GLN CA C 13 58.694 0.013 . 1 . 524 . . 49 GLN CA . 26626 1 183 . 1 1 49 49 GLN CB C 13 28.347 0.008 . 1 . 530 . . 49 GLN CB . 26626 1 184 . 1 1 49 49 GLN N N 15 118.296 0.047 . 1 . 525 . . 49 GLN N . 26626 1 185 . 1 1 50 50 ASP H H 1 8.031 0.003 . 1 . 520 . . 50 ASP H . 26626 1 186 . 1 1 50 50 ASP CA C 13 57.686 0.008 . 1 . 523 . . 50 ASP CA . 26626 1 187 . 1 1 50 50 ASP CB C 13 40.367 . . 1 . 529 . . 50 ASP CB . 26626 1 188 . 1 1 50 50 ASP N N 15 120.211 0.055 . 1 . 519 . . 50 ASP N . 26626 1 189 . 1 1 51 51 MET H H 1 8.003 0.005 . 1 . 521 . . 51 MET H . 26626 1 190 . 1 1 51 51 MET CA C 13 59.663 0.012 . 1 . 527 . . 51 MET CA . 26626 1 191 . 1 1 51 51 MET CB C 13 33.631 0.043 . 1 . 531 . . 51 MET CB . 26626 1 192 . 1 1 51 51 MET N N 15 119.310 0.109 . 1 . 522 . . 51 MET N . 26626 1 193 . 1 1 52 52 ILE H H 1 7.747 0.005 . 1 . 533 . . 52 ILE H . 26626 1 194 . 1 1 52 52 ILE CA C 13 64.931 0.039 . 1 . 534 . . 52 ILE CA . 26626 1 195 . 1 1 52 52 ILE CB C 13 37.131 0.064 . 1 . 538 . . 52 ILE CB . 26626 1 196 . 1 1 52 52 ILE N N 15 117.374 0.049 . 1 . 532 . . 52 ILE N . 26626 1 197 . 1 1 53 53 ASN H H 1 8.597 0.003 . 1 . 536 . . 53 ASN H . 26626 1 198 . 1 1 53 53 ASN CA C 13 55.979 0.02 . 1 . 537 . . 53 ASN CA . 26626 1 199 . 1 1 53 53 ASN CB C 13 38.214 0.019 . 1 . 539 . . 53 ASN CB . 26626 1 200 . 1 1 53 53 ASN N N 15 117.328 0.047 . 1 . 535 . . 53 ASN N . 26626 1 201 . 1 1 54 54 GLU H H 1 7.382 0.007 . 1 . 541 . . 54 GLU H . 26626 1 202 . 1 1 54 54 GLU CA C 13 58.503 0.031 . 1 . 543 . . 54 GLU CA . 26626 1 203 . 1 1 54 54 GLU CB C 13 30.200 0.036 . 1 . 542 . . 54 GLU CB . 26626 1 204 . 1 1 54 54 GLU N N 15 116.263 0.04 . 1 . 540 . . 54 GLU N . 26626 1 205 . 1 1 55 55 VAL H H 1 7.155 0.007 . 1 . 545 . . 55 VAL H . 26626 1 206 . 1 1 55 55 VAL CA C 13 60.799 0.058 . 1 . 546 . . 55 VAL CA . 26626 1 207 . 1 1 55 55 VAL CB C 13 32.896 0.05 . 1 . 551 . . 55 VAL CB . 26626 1 208 . 1 1 55 55 VAL N N 15 109.920 0.053 . 1 . 544 . . 55 VAL N . 26626 1 209 . 1 1 56 56 ASP H H 1 7.676 0.01 . 1 . 548 . . 56 ASP H . 26626 1 210 . 1 1 56 56 ASP CA C 13 53.672 0.026 . 1 . 549 . . 56 ASP CA . 26626 1 211 . 1 1 56 56 ASP CB C 13 40.805 0.002 . 1 . 550 . . 56 ASP CB . 26626 1 212 . 1 1 56 56 ASP N N 15 121.615 0.049 . 1 . 547 . . 56 ASP N . 26626 1 213 . 1 1 57 57 ALA H H 1 8.160 0.005 . 1 . 553 . . 57 ALA H . 26626 1 214 . 1 1 57 57 ALA CA C 13 54.361 0.014 . 1 . 554 . . 57 ALA CA . 26626 1 215 . 1 1 57 57 ALA N N 15 131.378 0.026 . 1 . 552 . . 57 ALA N . 26626 1 216 . 1 1 58 58 ASP H H 1 8.268 0.008 . 1 . 556 . . 58 ASP H . 26626 1 217 . 1 1 58 58 ASP CA C 13 52.839 0.022 . 1 . 557 . . 58 ASP CA . 26626 1 218 . 1 1 58 58 ASP CB C 13 39.936 0.016 . 1 . 562 . . 58 ASP CB . 26626 1 219 . 1 1 58 58 ASP N N 15 114.103 0.015 . 1 . 555 . . 58 ASP N . 26626 1 220 . 1 1 59 59 GLY H H 1 7.598 0.009 . 1 . 560 . . 59 GLY H . 26626 1 221 . 1 1 59 59 GLY CA C 13 47.277 0.028 . 1 . 561 . . 59 GLY CA . 26626 1 222 . 1 1 59 59 GLY N N 15 108.738 0.062 . 1 . 559 . . 59 GLY N . 26626 1 223 . 1 1 60 60 ASN H H 1 8.197 0.006 . 1 . 564 . . 60 ASN H . 26626 1 224 . 1 1 60 60 ASN HD21 H 1 7.155 . . 1 . 825 . . 60 ASN HD21 . 26626 1 225 . 1 1 60 60 ASN HD22 H 1 7.722 . . 1 . 826 . . 60 ASN HD22 . 26626 1 226 . 1 1 60 60 ASN CA C 13 52.717 0.009 . 1 . 565 . . 60 ASN CA . 26626 1 227 . 1 1 60 60 ASN CB C 13 37.584 0.017 . 1 . 566 . . 60 ASN CB . 26626 1 228 . 1 1 60 60 ASN N N 15 118.896 0.021 . 1 . 563 . . 60 ASN N . 26626 1 229 . 1 1 60 60 ASN ND2 N 15 115.575 0.003 . 1 . 824 . . 60 ASN ND2 . 26626 1 230 . 1 1 61 61 GLY H H 1 10.566 0.006 . 1 . 568 . . 61 GLY H . 26626 1 231 . 1 1 61 61 GLY CA C 13 45.688 0.013 . 1 . 569 . . 61 GLY CA . 26626 1 232 . 1 1 61 61 GLY N N 15 113.302 0.043 . 1 . 567 . . 61 GLY N . 26626 1 233 . 1 1 62 62 THR H H 1 7.684 0.005 . 1 . 571 . . 62 THR H . 26626 1 234 . 1 1 62 62 THR CA C 13 59.558 0.05 . 1 . 572 . . 62 THR CA . 26626 1 235 . 1 1 62 62 THR CB C 13 72.229 0.051 . 1 . 573 . . 62 THR CB . 26626 1 236 . 1 1 62 62 THR N N 15 108.666 0.032 . 1 . 570 . . 62 THR N . 26626 1 237 . 1 1 63 63 ILE H H 1 8.717 0.004 . 1 . 575 . . 63 ILE H . 26626 1 238 . 1 1 63 63 ILE CA C 13 60.396 0.025 . 1 . 576 . . 63 ILE CA . 26626 1 239 . 1 1 63 63 ILE CB C 13 39.770 0.003 . 1 . 580 . . 63 ILE CB . 26626 1 240 . 1 1 63 63 ILE N N 15 122.940 0.053 . 1 . 574 . . 63 ILE N . 26626 1 241 . 1 1 64 64 ASP H H 1 9.104 0.004 . 1 . 578 . . 64 ASP H . 26626 1 242 . 1 1 64 64 ASP CA C 13 52.376 0.014 . 1 . 581 . . 64 ASP CA . 26626 1 243 . 1 1 64 64 ASP CB C 13 42.603 0.023 . 1 . 579 . . 64 ASP CB . 26626 1 244 . 1 1 64 64 ASP N N 15 128.807 0.026 . 1 . 577 . . 64 ASP N . 26626 1 245 . 1 1 65 65 PHE H H 1 9.065 0.004 . 1 . 583 . . 65 PHE H . 26626 1 246 . 1 1 65 65 PHE CA C 13 63.175 0.013 . 1 . 585 . . 65 PHE CA . 26626 1 247 . 1 1 65 65 PHE CB C 13 35.916 . . 1 . 584 . . 65 PHE CB . 26626 1 248 . 1 1 65 65 PHE N N 15 119.439 0.091 . 1 . 582 . . 65 PHE N . 26626 1 249 . 1 1 66 66 PRO CA C 13 66.838 0.012 . 1 . 589 . . 66 PRO CA . 26626 1 250 . 1 1 66 66 PRO CB C 13 30.692 . . 1 . 593 . . 66 PRO CB . 26626 1 251 . 1 1 67 67 GLU H H 1 8.071 0.006 . 1 . 587 . . 67 GLU H . 26626 1 252 . 1 1 67 67 GLU CA C 13 58.898 0.038 . 1 . 588 . . 67 GLU CA . 26626 1 253 . 1 1 67 67 GLU CB C 13 29.455 0.041 . 1 . 594 . . 67 GLU CB . 26626 1 254 . 1 1 67 67 GLU N N 15 117.667 0.083 . 1 . 586 . . 67 GLU N . 26626 1 255 . 1 1 68 68 PHE H H 1 8.614 0.008 . 1 . 591 . . 68 PHE H . 26626 1 256 . 1 1 68 68 PHE CA C 13 61.505 0.047 . 1 . 592 . . 68 PHE CA . 26626 1 257 . 1 1 68 68 PHE CB C 13 40.599 0.014 . 1 . 905 . . 68 PHE CB . 26626 1 258 . 1 1 68 68 PHE N N 15 123.794 0.053 . 1 . 590 . . 68 PHE N . 26626 1 259 . 1 1 69 69 LEU H H 1 8.803 0.007 . 1 . 595 . . 69 LEU H . 26626 1 260 . 1 1 69 69 LEU CA C 13 57.973 0.043 . 1 . 597 . . 69 LEU CA . 26626 1 261 . 1 1 69 69 LEU CB C 13 41.219 0.042 . 1 . 600 . . 69 LEU CB . 26626 1 262 . 1 1 69 69 LEU N N 15 119.542 0.046 . 1 . 596 . . 69 LEU N . 26626 1 263 . 1 1 70 70 THR H H 1 7.839 0.008 . 1 . 599 . . 70 THR H . 26626 1 264 . 1 1 70 70 THR CA C 13 66.732 0.017 . 1 . 601 . . 70 THR CA . 26626 1 265 . 1 1 70 70 THR CB C 13 68.649 0.051 . 1 . 602 . . 70 THR CB . 26626 1 266 . 1 1 70 70 THR N N 15 115.506 0.026 . 1 . 598 . . 70 THR N . 26626 1 267 . 1 1 71 71 MET H H 1 7.438 0.004 . 1 . 604 . . 71 MET H . 26626 1 268 . 1 1 71 71 MET CA C 13 58.905 0.054 . 1 . 605 . . 71 MET CA . 26626 1 269 . 1 1 71 71 MET CB C 13 32.402 0.025 . 1 . 612 . . 71 MET CB . 26626 1 270 . 1 1 71 71 MET N N 15 120.894 0.04 . 1 . 603 . . 71 MET N . 26626 1 271 . 1 1 72 72 MET H H 1 7.858 0.009 . 1 . 610 . . 72 MET H . 26626 1 272 . 1 1 72 72 MET CA C 13 55.655 0.038 . 1 . 611 . . 72 MET CA . 26626 1 273 . 1 1 72 72 MET CB C 13 30.124 0.01 . 1 . 616 . . 72 MET CB . 26626 1 274 . 1 1 72 72 MET N N 15 117.034 0.058 . 1 . 609 . . 72 MET N . 26626 1 275 . 1 1 73 73 ALA H H 1 8.461 0.005 . 1 . 613 . . 73 ALA H . 26626 1 276 . 1 1 73 73 ALA CA C 13 54.616 0.032 . 1 . 615 . . 73 ALA CA . 26626 1 277 . 1 1 73 73 ALA N N 15 121.966 0.029 . 1 . 614 . . 73 ALA N . 26626 1 278 . 1 1 74 74 ARG H H 1 7.570 0.002 . 1 . 618 . . 74 ARG H . 26626 1 279 . 1 1 74 74 ARG CA C 13 58.540 0.054 . 1 . 619 . . 74 ARG CA . 26626 1 280 . 1 1 74 74 ARG CB C 13 30.151 . . 1 . 621 . . 74 ARG CB . 26626 1 281 . 1 1 74 74 ARG N N 15 117.146 0.018 . 1 . 617 . . 74 ARG N . 26626 1 282 . 1 1 75 75 LYS H H 1 7.683 0.007 . 1 . 623 . . 75 LYS H . 26626 1 283 . 1 1 75 75 LYS CA C 13 57.007 0.028 . 1 . 624 . . 75 LYS CA . 26626 1 284 . 1 1 75 75 LYS CB C 13 31.920 0.019 . 1 . 906 . . 75 LYS CB . 26626 1 285 . 1 1 75 75 LYS N N 15 119.196 0.025 . 1 . 622 . . 75 LYS N . 26626 1 286 . 1 1 76 76 MET H H 1 8.035 0.007 . 1 . 907 . . 76 MET H . 26626 1 287 . 1 1 76 76 MET CA C 13 57.092 0.003 . 1 . 637 . . 76 MET CA . 26626 1 288 . 1 1 76 76 MET CB C 13 32.812 . . 1 . 638 . . 76 MET CB . 26626 1 289 . 1 1 76 76 MET N N 15 118.209 0.06 . 1 . 908 . . 76 MET N . 26626 1 290 . 1 1 77 77 LYS H H 1 7.729 0.009 . 1 . 635 . . 77 LYS H . 26626 1 291 . 1 1 77 77 LYS CA C 13 56.978 0.005 . 1 . 628 . . 77 LYS CA . 26626 1 292 . 1 1 77 77 LYS CB C 13 32.881 0.022 . 1 . 634 . . 77 LYS CB . 26626 1 293 . 1 1 77 77 LYS N N 15 118.917 0.032 . 1 . 636 . . 77 LYS N . 26626 1 294 . 1 1 78 78 ASP H H 1 7.972 0.005 . 1 . 626 . . 78 ASP H . 26626 1 295 . 1 1 78 78 ASP CA C 13 54.625 0.04 . 1 . 627 . . 78 ASP CA . 26626 1 296 . 1 1 78 78 ASP CB C 13 41.480 0.005 . 1 . 633 . . 78 ASP CB . 26626 1 297 . 1 1 78 78 ASP N N 15 119.480 0.049 . 1 . 625 . . 78 ASP N . 26626 1 298 . 1 1 79 79 THR H H 1 7.914 0.005 . 1 . 630 . . 79 THR H . 26626 1 299 . 1 1 79 79 THR CA C 13 62.202 0.022 . 1 . 631 . . 79 THR CA . 26626 1 300 . 1 1 79 79 THR CB C 13 70.074 0.018 . 1 . 632 . . 79 THR CB . 26626 1 301 . 1 1 79 79 THR N N 15 114.143 0.051 . 1 . 629 . . 79 THR N . 26626 1 302 . 1 1 80 80 ASP H H 1 8.471 0.007 . 1 . 640 . . 80 ASP H . 26626 1 303 . 1 1 80 80 ASP CA C 13 54.069 0.02 . 1 . 641 . . 80 ASP CA . 26626 1 304 . 1 1 80 80 ASP CB C 13 41.625 0.023 . 1 . 815 . . 80 ASP CB . 26626 1 305 . 1 1 80 80 ASP N N 15 123.486 0.026 . 1 . 639 . . 80 ASP N . 26626 1 306 . 1 1 81 81 SER H H 1 8.468 0.003 . 1 . 642 . . 81 SER H . 26626 1 307 . 1 1 81 81 SER CA C 13 59.726 0.035 . 1 . 748 . . 81 SER CA . 26626 1 308 . 1 1 81 81 SER CB C 13 63.667 0.027 . 1 . 814 . . 81 SER CB . 26626 1 309 . 1 1 81 81 SER N N 15 117.639 0.023 . 1 . 643 . . 81 SER N . 26626 1 310 . 1 1 82 82 GLU H H 1 8.531 0.003 . 1 . 644 . . 82 GLU H . 26626 1 311 . 1 1 82 82 GLU CA C 13 58.992 0.048 . 1 . 749 . . 82 GLU CA . 26626 1 312 . 1 1 82 82 GLU CB C 13 29.616 0.015 . 1 . 909 . . 82 GLU CB . 26626 1 313 . 1 1 82 82 GLU N N 15 122.271 0.032 . 1 . 645 . . 82 GLU N . 26626 1 314 . 1 1 83 83 GLU H H 1 8.267 0.004 . 1 . 646 . . 83 GLU H . 26626 1 315 . 1 1 83 83 GLU CA C 13 59.725 0.031 . 1 . 750 . . 83 GLU CA . 26626 1 316 . 1 1 83 83 GLU CB C 13 29.398 0.043 . 1 . 910 . . 83 GLU CB . 26626 1 317 . 1 1 83 83 GLU N N 15 119.437 0.031 . 1 . 647 . . 83 GLU N . 26626 1 318 . 1 1 84 84 GLU H H 1 8.392 0.003 . 1 . 648 . . 84 GLU H . 26626 1 319 . 1 1 84 84 GLU CA C 13 59.691 0.022 . 1 . 752 . . 84 GLU CA . 26626 1 320 . 1 1 84 84 GLU CB C 13 29.206 0.037 . 1 . 816 . . 84 GLU CB . 26626 1 321 . 1 1 84 84 GLU N N 15 118.481 0.054 . 1 . 649 . . 84 GLU N . 26626 1 322 . 1 1 85 85 ILE H H 1 7.910 0.003 . 1 . 650 . . 85 ILE H . 26626 1 323 . 1 1 85 85 ILE CA C 13 65.097 0.041 . 1 . 751 . . 85 ILE CA . 26626 1 324 . 1 1 85 85 ILE CB C 13 37.221 0.035 . 1 . 823 . . 85 ILE CB . 26626 1 325 . 1 1 85 85 ILE N N 15 120.798 0.047 . 1 . 651 . . 85 ILE N . 26626 1 326 . 1 1 86 86 ARG H H 1 8.430 0.009 . 1 . 652 . . 86 ARG H . 26626 1 327 . 1 1 86 86 ARG CA C 13 60.204 0.059 . 1 . 753 . . 86 ARG CA . 26626 1 328 . 1 1 86 86 ARG CB C 13 29.880 0.034 . 1 . 911 . . 86 ARG CB . 26626 1 329 . 1 1 86 86 ARG N N 15 121.438 0.051 . 1 . 653 . . 86 ARG N . 26626 1 330 . 1 1 87 87 GLU H H 1 8.190 0.002 . 1 . 654 . . 87 GLU H . 26626 1 331 . 1 1 87 87 GLU CA C 13 58.955 0.059 . 1 . 754 . . 87 GLU CA . 26626 1 332 . 1 1 87 87 GLU CB C 13 29.140 0.013 . 1 . 828 . . 87 GLU CB . 26626 1 333 . 1 1 87 87 GLU N N 15 118.788 0.037 . 1 . 655 . . 87 GLU N . 26626 1 334 . 1 1 88 88 ALA H H 1 8.151 0.004 . 1 . 656 . . 88 ALA H . 26626 1 335 . 1 1 88 88 ALA CA C 13 55.435 0.026 . 1 . 755 . . 88 ALA CA . 26626 1 336 . 1 1 88 88 ALA CB C 13 18.173 0.043 . 1 . 827 . . 88 ALA CB . 26626 1 337 . 1 1 88 88 ALA N N 15 120.976 0.075 . 1 . 657 . . 88 ALA N . 26626 1 338 . 1 1 89 89 PHE H H 1 8.686 0.011 . 1 . 658 . . 89 PHE H . 26626 1 339 . 1 1 89 89 PHE CA C 13 62.377 0.082 . 1 . 756 . . 89 PHE CA . 26626 1 340 . 1 1 89 89 PHE CB C 13 39.070 0.052 . 1 . 829 . . 89 PHE CB . 26626 1 341 . 1 1 89 89 PHE N N 15 119.101 0.048 . 1 . 659 . . 89 PHE N . 26626 1 342 . 1 1 90 90 ARG H H 1 7.792 0.005 . 1 . 660 . . 90 ARG H . 26626 1 343 . 1 1 90 90 ARG CA C 13 58.991 0.056 . 1 . 757 . . 90 ARG CA . 26626 1 344 . 1 1 90 90 ARG CB C 13 30.345 0.026 . 1 . 830 . . 90 ARG CB . 26626 1 345 . 1 1 90 90 ARG N N 15 116.174 0.031 . 1 . 661 . . 90 ARG N . 26626 1 346 . 1 1 91 91 VAL H H 1 7.544 0.006 . 1 . 662 . . 91 VAL H . 26626 1 347 . 1 1 91 91 VAL CA C 13 65.736 0.031 . 1 . 758 . . 91 VAL CA . 26626 1 348 . 1 1 91 91 VAL CB C 13 31.524 0.003 . 1 . 831 . . 91 VAL CB . 26626 1 349 . 1 1 91 91 VAL N N 15 118.210 0.032 . 1 . 663 . . 91 VAL N . 26626 1 350 . 1 1 92 92 PHE H H 1 7.391 0.008 . 1 . 664 . . 92 PHE H . 26626 1 351 . 1 1 92 92 PHE CA C 13 60.466 0.049 . 1 . 759 . . 92 PHE CA . 26626 1 352 . 1 1 92 92 PHE CB C 13 40.852 0.046 . 1 . 832 . . 92 PHE CB . 26626 1 353 . 1 1 92 92 PHE N N 15 115.476 0.018 . 1 . 665 . . 92 PHE N . 26626 1 354 . 1 1 93 93 ASP H H 1 7.914 0.007 . 1 . 666 . . 93 ASP H . 26626 1 355 . 1 1 93 93 ASP CA C 13 52.287 0.038 . 1 . 760 . . 93 ASP CA . 26626 1 356 . 1 1 93 93 ASP CB C 13 38.522 0.012 . 1 . 833 . . 93 ASP CB . 26626 1 357 . 1 1 93 93 ASP N N 15 116.620 0.023 . 1 . 667 . . 93 ASP N . 26626 1 358 . 1 1 94 94 LYS H H 1 7.733 0.006 . 1 . 668 . . 94 LYS H . 26626 1 359 . 1 1 94 94 LYS CA C 13 58.997 0.038 . 1 . 761 . . 94 LYS CA . 26626 1 360 . 1 1 94 94 LYS CB C 13 32.697 0.018 . 1 . 834 . . 94 LYS CB . 26626 1 361 . 1 1 94 94 LYS N N 15 125.913 0.028 . 1 . 669 . . 94 LYS N . 26626 1 362 . 1 1 95 95 ASP H H 1 8.228 0.004 . 1 . 670 . . 95 ASP H . 26626 1 363 . 1 1 95 95 ASP CA C 13 53.100 0.018 . 1 . 762 . . 95 ASP CA . 26626 1 364 . 1 1 95 95 ASP CB C 13 39.644 0.017 . 1 . 835 . . 95 ASP CB . 26626 1 365 . 1 1 95 95 ASP N N 15 114.119 0.016 . 1 . 671 . . 95 ASP N . 26626 1 366 . 1 1 96 96 GLY H H 1 7.812 0.006 . 1 . 672 . . 96 GLY H . 26626 1 367 . 1 1 96 96 GLY CA C 13 47.199 0.019 . 1 . 763 . . 96 GLY CA . 26626 1 368 . 1 1 96 96 GLY N N 15 109.403 0.026 . 1 . 673 . . 96 GLY N . 26626 1 369 . 1 1 97 97 ASN H H 1 8.370 0.006 . 1 . 674 . . 97 ASN H . 26626 1 370 . 1 1 97 97 ASN HD21 H 1 8.053 . . 1 . 607 . . 97 ASN HD21 . 26626 1 371 . 1 1 97 97 ASN HD22 H 1 7.344 . . 1 . 608 . . 97 ASN HD22 . 26626 1 372 . 1 1 97 97 ASN CA C 13 52.727 0.007 . 1 . 764 . . 97 ASN CA . 26626 1 373 . 1 1 97 97 ASN CB C 13 38.197 0.024 . 1 . 836 . . 97 ASN CB . 26626 1 374 . 1 1 97 97 ASN N N 15 119.641 0.015 . 1 . 675 . . 97 ASN N . 26626 1 375 . 1 1 97 97 ASN ND2 N 15 116.364 0.016 . 1 . 606 . . 97 ASN ND2 . 26626 1 376 . 1 1 98 98 GLY H H 1 10.652 0.003 . 1 . 676 . . 98 GLY H . 26626 1 377 . 1 1 98 98 GLY CA C 13 45.126 0.008 . 1 . 765 . . 98 GLY CA . 26626 1 378 . 1 1 98 98 GLY N N 15 112.916 0.026 . 1 . 677 . . 98 GLY N . 26626 1 379 . 1 1 99 99 TYR H H 1 7.649 0.005 . 1 . 678 . . 99 TYR H . 26626 1 380 . 1 1 99 99 TYR CA C 13 56.164 0.014 . 1 . 766 . . 99 TYR CA . 26626 1 381 . 1 1 99 99 TYR CB C 13 43.114 0.03 . 1 . 837 . . 99 TYR CB . 26626 1 382 . 1 1 99 99 TYR N N 15 116.132 0.044 . 1 . 679 . . 99 TYR N . 26626 1 383 . 1 1 100 100 ILE H H 1 10.155 0.01 . 1 . 680 . . 100 ILE H . 26626 1 384 . 1 1 100 100 ILE CA C 13 60.807 0.046 . 1 . 767 . . 100 ILE CA . 26626 1 385 . 1 1 100 100 ILE CB C 13 39.062 0.03 . 1 . 838 . . 100 ILE CB . 26626 1 386 . 1 1 100 100 ILE N N 15 127.258 0.124 . 1 . 681 . . 100 ILE N . 26626 1 387 . 1 1 101 101 SER H H 1 8.971 0.003 . 1 . 682 . . 101 SER H . 26626 1 388 . 1 1 101 101 SER CA C 13 55.773 0.011 . 1 . 768 . . 101 SER CA . 26626 1 389 . 1 1 101 101 SER CB C 13 66.822 0.01 . 1 . 817 . . 101 SER CB . 26626 1 390 . 1 1 101 101 SER N N 15 123.777 0.043 . 1 . 683 . . 101 SER N . 26626 1 391 . 1 1 102 102 ALA H H 1 9.252 0.003 . 1 . 684 . . 102 ALA H . 26626 1 392 . 1 1 102 102 ALA CA C 13 55.968 0.04 . 1 . 772 . . 102 ALA CA . 26626 1 393 . 1 1 102 102 ALA CB C 13 18.018 0.0 . 1 . 839 . . 102 ALA CB . 26626 1 394 . 1 1 102 102 ALA N N 15 123.093 0.057 . 1 . 685 . . 102 ALA N . 26626 1 395 . 1 1 103 103 ALA H H 1 8.262 0.004 . 1 . 690 . . 103 ALA H . 26626 1 396 . 1 1 103 103 ALA CA C 13 55.240 0.016 . 1 . 773 . . 103 ALA CA . 26626 1 397 . 1 1 103 103 ALA CB C 13 18.321 0.021 . 1 . 840 . . 103 ALA CB . 26626 1 398 . 1 1 103 103 ALA N N 15 118.434 0.023 . 1 . 691 . . 103 ALA N . 26626 1 399 . 1 1 104 104 GLU H H 1 7.914 0.005 . 1 . 692 . . 104 GLU H . 26626 1 400 . 1 1 104 104 GLU CA C 13 59.565 0.04 . 1 . 769 . . 104 GLU CA . 26626 1 401 . 1 1 104 104 GLU CB C 13 29.119 . . 1 . 842 . . 104 GLU CB . 26626 1 402 . 1 1 104 104 GLU N N 15 120.371 0.053 . 1 . 693 . . 104 GLU N . 26626 1 403 . 1 1 105 105 LEU H H 1 8.440 0.006 . 1 . 686 . . 105 LEU H . 26626 1 404 . 1 1 105 105 LEU CA C 13 58.699 0.042 . 1 . 770 . . 105 LEU CA . 26626 1 405 . 1 1 105 105 LEU CB C 13 42.100 0.026 . 1 . 841 . . 105 LEU CB . 26626 1 406 . 1 1 105 105 LEU N N 15 120.773 0.028 . 1 . 687 . . 105 LEU N . 26626 1 407 . 1 1 106 106 ARG H H 1 8.719 0.006 . 1 . 688 . . 106 ARG H . 26626 1 408 . 1 1 106 106 ARG CA C 13 60.058 0.056 . 1 . 771 . . 106 ARG CA . 26626 1 409 . 1 1 106 106 ARG CB C 13 30.599 0.037 . 1 . 912 . . 106 ARG CB . 26626 1 410 . 1 1 106 106 ARG N N 15 117.382 0.028 . 1 . 689 . . 106 ARG N . 26626 1 411 . 1 1 107 107 HIS H H 1 8.167 0.007 . 1 . 694 . . 107 HIS H . 26626 1 412 . 1 1 107 107 HIS CA C 13 60.164 0.021 . 1 . 774 . . 107 HIS CA . 26626 1 413 . 1 1 107 107 HIS N N 15 120.070 0.031 . 1 . 695 . . 107 HIS N . 26626 1 414 . 1 1 108 108 VAL H H 1 7.849 0.008 . 1 . 696 . . 108 VAL H . 26626 1 415 . 1 1 108 108 VAL CA C 13 66.747 0.026 . 1 . 775 . . 108 VAL CA . 26626 1 416 . 1 1 108 108 VAL N N 15 118.354 0.019 . 1 . 697 . . 108 VAL N . 26626 1 417 . 1 1 109 109 MET H H 1 8.058 0.006 . 1 . 847 . . 109 MET H . 26626 1 418 . 1 1 109 109 MET CA C 13 58.434 0.074 . 1 . 778 . . 109 MET CA . 26626 1 419 . 1 1 109 109 MET N N 15 115.754 0.027 . 1 . 846 . . 109 MET N . 26626 1 420 . 1 1 110 110 THR H H 1 8.383 0.009 . 1 . 700 . . 110 THR H . 26626 1 421 . 1 1 110 110 THR CA C 13 66.358 0.043 . 1 . 776 . . 110 THR CA . 26626 1 422 . 1 1 110 110 THR CB C 13 68.843 0.001 . 1 . 844 . . 110 THR CB . 26626 1 423 . 1 1 110 110 THR N N 15 114.954 0.067 . 1 . 701 . . 110 THR N . 26626 1 424 . 1 1 111 111 ASN H H 1 7.907 0.007 . 1 . 698 . . 111 ASN H . 26626 1 425 . 1 1 111 111 ASN CA C 13 55.986 0.024 . 1 . 777 . . 111 ASN CA . 26626 1 426 . 1 1 111 111 ASN CB C 13 37.735 0.033 . 1 . 845 . . 111 ASN CB . 26626 1 427 . 1 1 111 111 ASN N N 15 123.125 0.064 . 1 . 699 . . 111 ASN N . 26626 1 428 . 1 1 112 112 LEU H H 1 7.791 0.007 . 1 . 710 . . 112 LEU H . 26626 1 429 . 1 1 112 112 LEU CA C 13 55.561 0.01 . 1 . 784 . . 112 LEU CA . 26626 1 430 . 1 1 112 112 LEU CB C 13 42.519 0.05 . 1 . 848 . . 112 LEU CB . 26626 1 431 . 1 1 112 112 LEU N N 15 118.227 0.063 . 1 . 711 . . 112 LEU N . 26626 1 432 . 1 1 113 113 GLY H H 1 7.689 0.006 . 1 . 712 . . 113 GLY H . 26626 1 433 . 1 1 113 113 GLY CA C 13 45.400 0.032 . 1 . 785 . . 113 GLY CA . 26626 1 434 . 1 1 113 113 GLY N N 15 106.031 0.033 . 1 . 713 . . 113 GLY N . 26626 1 435 . 1 1 114 114 GLU H H 1 8.013 0.005 . 1 . 714 . . 114 GLU H . 26626 1 436 . 1 1 114 114 GLU CA C 13 55.222 0.01 . 1 . 783 . . 114 GLU CA . 26626 1 437 . 1 1 114 114 GLU CB C 13 30.556 0.02 . 1 . 849 . . 114 GLU CB . 26626 1 438 . 1 1 114 114 GLU N N 15 121.262 0.031 . 1 . 715 . . 114 GLU N . 26626 1 439 . 1 1 115 115 LYS H H 1 8.646 0.015 . 1 . 708 . . 115 LYS H . 26626 1 440 . 1 1 115 115 LYS CA C 13 55.596 0.012 . 1 . 782 . . 115 LYS CA . 26626 1 441 . 1 1 115 115 LYS CB C 13 31.861 0.021 . 1 . 819 . . 115 LYS CB . 26626 1 442 . 1 1 115 115 LYS N N 15 125.407 0.032 . 1 . 709 . . 115 LYS N . 26626 1 443 . 1 1 116 116 LEU H H 1 7.993 0.003 . 1 . 706 . . 116 LEU H . 26626 1 444 . 1 1 116 116 LEU CA C 13 53.910 0.004 . 1 . 779 . . 116 LEU CA . 26626 1 445 . 1 1 116 116 LEU CB C 13 45.064 0.02 . 1 . 850 . . 116 LEU CB . 26626 1 446 . 1 1 116 116 LEU N N 15 124.788 0.022 . 1 . 707 . . 116 LEU N . 26626 1 447 . 1 1 117 117 THR H H 1 9.200 0.002 . 1 . 702 . . 117 THR H . 26626 1 448 . 1 1 117 117 THR CA C 13 60.680 0.02 . 1 . 780 . . 117 THR CA . 26626 1 449 . 1 1 117 117 THR CB C 13 71.326 0.007 . 1 . 851 . . 117 THR CB . 26626 1 450 . 1 1 117 117 THR N N 15 114.637 0.019 . 1 . 703 . . 117 THR N . 26626 1 451 . 1 1 118 118 ASP H H 1 8.885 0.003 . 1 . 704 . . 118 ASP H . 26626 1 452 . 1 1 118 118 ASP CA C 13 58.016 0.048 . 1 . 781 . . 118 ASP CA . 26626 1 453 . 1 1 118 118 ASP CB C 13 39.740 0.032 . 1 . 366 . . 118 ASP CB . 26626 1 454 . 1 1 118 118 ASP N N 15 121.103 0.021 . 1 . 705 . . 118 ASP N . 26626 1 455 . 1 1 119 119 GLU H H 1 8.704 0.002 . 1 . 364 . . 119 GLU H . 26626 1 456 . 1 1 119 119 GLU CA C 13 60.114 0.018 . 1 . 370 . . 119 GLU CA . 26626 1 457 . 1 1 119 119 GLU N N 15 119.109 0.02 . 1 . 365 . . 119 GLU N . 26626 1 458 . 1 1 120 120 GLU H H 1 7.774 0.004 . 1 . 367 . . 120 GLU H . 26626 1 459 . 1 1 120 120 GLU CA C 13 59.414 0.013 . 1 . 786 . . 120 GLU CA . 26626 1 460 . 1 1 120 120 GLU CB C 13 30.503 0.038 . 1 . 820 . . 120 GLU CB . 26626 1 461 . 1 1 120 120 GLU N N 15 120.512 0.033 . 1 . 368 . . 120 GLU N . 26626 1 462 . 1 1 121 121 VAL H H 1 7.910 0.009 . 1 . 716 . . 121 VAL H . 26626 1 463 . 1 1 121 121 VAL CA C 13 66.994 0.033 . 1 . 787 . . 121 VAL CA . 26626 1 464 . 1 1 121 121 VAL CB C 13 31.377 0.027 . 1 . 821 . . 121 VAL CB . 26626 1 465 . 1 1 121 121 VAL N N 15 120.181 0.024 . 1 . 717 . . 121 VAL N . 26626 1 466 . 1 1 122 122 ASP H H 1 8.110 0.007 . 1 . 718 . . 122 ASP H . 26626 1 467 . 1 1 122 122 ASP CA C 13 57.703 0.013 . 1 . 788 . . 122 ASP CA . 26626 1 468 . 1 1 122 122 ASP CB C 13 40.559 0.013 . 1 . 864 . . 122 ASP CB . 26626 1 469 . 1 1 122 122 ASP N N 15 119.759 0.042 . 1 . 719 . . 122 ASP N . 26626 1 470 . 1 1 123 123 GLU H H 1 8.022 0.005 . 1 . 862 . . 123 GLU H . 26626 1 471 . 1 1 123 123 GLU CA C 13 59.384 0.034 . 1 . 860 . . 123 GLU CA . 26626 1 472 . 1 1 123 123 GLU CB C 13 29.439 0.003 . 1 . 865 . . 123 GLU CB . 26626 1 473 . 1 1 123 123 GLU N N 15 119.597 0.045 . 1 . 861 . . 123 GLU N . 26626 1 474 . 1 1 124 124 MET H H 1 7.769 0.004 . 1 . 859 . . 124 MET H . 26626 1 475 . 1 1 124 124 MET CA C 13 59.635 0.034 . 1 . 857 . . 124 MET CA . 26626 1 476 . 1 1 124 124 MET CB C 13 33.789 0.016 . 1 . 863 . . 124 MET CB . 26626 1 477 . 1 1 124 124 MET N N 15 119.166 0.016 . 1 . 858 . . 124 MET N . 26626 1 478 . 1 1 125 125 ILE H H 1 7.863 0.003 . 1 . 853 . . 125 ILE H . 26626 1 479 . 1 1 125 125 ILE CA C 13 63.549 0.039 . 1 . 854 . . 125 ILE CA . 26626 1 480 . 1 1 125 125 ILE CB C 13 36.232 0.02 . 1 . 866 . . 125 ILE CB . 26626 1 481 . 1 1 125 125 ILE N N 15 117.843 0.045 . 1 . 852 . . 125 ILE N . 26626 1 482 . 1 1 126 126 ARG H H 1 8.273 0.003 . 1 . 856 . . 126 ARG H . 26626 1 483 . 1 1 126 126 ARG CA C 13 59.844 0.04 . 1 . 789 . . 126 ARG CA . 26626 1 484 . 1 1 126 126 ARG CB C 13 30.227 0.024 . 1 . 870 . . 126 ARG CB . 26626 1 485 . 1 1 126 126 ARG N N 15 118.332 0.024 . 1 . 855 . . 126 ARG N . 26626 1 486 . 1 1 127 127 GLU H H 1 7.890 0.012 . 1 . 720 . . 127 GLU H . 26626 1 487 . 1 1 127 127 GLU CA C 13 58.661 0.023 . 1 . 790 . . 127 GLU CA . 26626 1 488 . 1 1 127 127 GLU CB C 13 29.684 0.035 . 1 . 871 . . 127 GLU CB . 26626 1 489 . 1 1 127 127 GLU N N 15 116.175 0.046 . 1 . 721 . . 127 GLU N . 26626 1 490 . 1 1 128 128 ALA H H 1 7.305 0.007 . 1 . 722 . . 128 ALA H . 26626 1 491 . 1 1 128 128 ALA CA C 13 52.063 0.031 . 1 . 791 . . 128 ALA CA . 26626 1 492 . 1 1 128 128 ALA CB C 13 21.338 0.041 . 1 . 872 . . 128 ALA CB . 26626 1 493 . 1 1 128 128 ALA N N 15 118.979 0.016 . 1 . 723 . . 128 ALA N . 26626 1 494 . 1 1 129 129 ASP H H 1 7.862 0.003 . 1 . 724 . . 129 ASP H . 26626 1 495 . 1 1 129 129 ASP CA C 13 54.142 0.019 . 1 . 792 . . 129 ASP CA . 26626 1 496 . 1 1 129 129 ASP CB C 13 40.511 0.018 . 1 . 873 . . 129 ASP CB . 26626 1 497 . 1 1 129 129 ASP N N 15 117.713 0.023 . 1 . 725 . . 129 ASP N . 26626 1 498 . 1 1 130 130 ILE H H 1 8.363 0.003 . 1 . 726 . . 130 ILE H . 26626 1 499 . 1 1 130 130 ILE CA C 13 63.511 0.036 . 1 . 793 . . 130 ILE CA . 26626 1 500 . 1 1 130 130 ILE CB C 13 38.628 0.035 . 1 . 874 . . 130 ILE CB . 26626 1 501 . 1 1 130 130 ILE N N 15 127.896 0.037 . 1 . 727 . . 130 ILE N . 26626 1 502 . 1 1 131 131 ASP H H 1 8.347 0.006 . 1 . 876 . . 131 ASP H . 26626 1 503 . 1 1 131 131 ASP CA C 13 53.914 0.028 . 1 . 795 . . 131 ASP CA . 26626 1 504 . 1 1 131 131 ASP CB C 13 40.006 0.001 . 1 . 822 . . 131 ASP CB . 26626 1 505 . 1 1 131 131 ASP N N 15 116.727 0.017 . 1 . 875 . . 131 ASP N . 26626 1 506 . 1 1 132 132 GLY H H 1 7.604 0.007 . 1 . 728 . . 132 GLY H . 26626 1 507 . 1 1 132 132 GLY CA C 13 47.560 0.036 . 1 . 794 . . 132 GLY CA . 26626 1 508 . 1 1 132 132 GLY N N 15 108.671 0.046 . 1 . 729 . . 132 GLY N . 26626 1 509 . 1 1 133 133 ASP H H 1 8.358 0.007 . 1 . 730 . . 133 ASP H . 26626 1 510 . 1 1 133 133 ASP CA C 13 53.709 0.012 . 1 . 796 . . 133 ASP CA . 26626 1 511 . 1 1 133 133 ASP CB C 13 40.241 0.022 . 1 . 877 . . 133 ASP CB . 26626 1 512 . 1 1 133 133 ASP N N 15 120.944 0.015 . 1 . 731 . . 133 ASP N . 26626 1 513 . 1 1 134 134 GLY H H 1 10.371 0.008 . 1 . 732 . . 134 GLY H . 26626 1 514 . 1 1 134 134 GLY CA C 13 45.831 0.021 . 1 . 797 . . 134 GLY CA . 26626 1 515 . 1 1 134 134 GLY N N 15 112.978 0.013 . 1 . 733 . . 134 GLY N . 26626 1 516 . 1 1 135 135 GLN H H 1 7.974 0.003 . 1 . 734 . . 135 GLN H . 26626 1 517 . 1 1 135 135 GLN CA C 13 53.296 0.034 . 1 . 798 . . 135 GLN CA . 26626 1 518 . 1 1 135 135 GLN CB C 13 32.452 0.017 . 1 . 878 . . 135 GLN CB . 26626 1 519 . 1 1 135 135 GLN N N 15 115.412 0.048 . 1 . 735 . . 135 GLN N . 26626 1 520 . 1 1 136 136 VAL H H 1 9.135 0.005 . 1 . 799 . . 136 VAL H . 26626 1 521 . 1 1 136 136 VAL CA C 13 61.779 0.043 . 1 . 800 . . 136 VAL CA . 26626 1 522 . 1 1 136 136 VAL CB C 13 33.824 0.019 . 1 . 879 . . 136 VAL CB . 26626 1 523 . 1 1 136 136 VAL N N 15 125.372 0.046 . 1 . 801 . . 136 VAL N . 26626 1 524 . 1 1 137 137 ASN H H 1 9.574 0.014 . 1 . 736 . . 137 ASN H . 26626 1 525 . 1 1 137 137 ASN CA C 13 51.114 0.014 . 1 . 802 . . 137 ASN CA . 26626 1 526 . 1 1 137 137 ASN CB C 13 38.388 0.008 . 1 . 880 . . 137 ASN CB . 26626 1 527 . 1 1 137 137 ASN N N 15 129.162 0.026 . 1 . 737 . . 137 ASN N . 26626 1 528 . 1 1 138 138 TYR H H 1 8.424 0.003 . 1 . 738 . . 138 TYR H . 26626 1 529 . 1 1 138 138 TYR CA C 13 62.859 0.036 . 1 . 803 . . 138 TYR CA . 26626 1 530 . 1 1 138 138 TYR CB C 13 37.745 0.009 . 1 . 881 . . 138 TYR CB . 26626 1 531 . 1 1 138 138 TYR N N 15 118.738 0.04 . 1 . 739 . . 138 TYR N . 26626 1 532 . 1 1 139 139 GLU H H 1 8.096 0.005 . 1 . 740 . . 139 GLU H . 26626 1 533 . 1 1 139 139 GLU CA C 13 60.443 0.031 . 1 . 804 . . 139 GLU CA . 26626 1 534 . 1 1 139 139 GLU CB C 13 29.069 0.029 . 1 . 886 . . 139 GLU CB . 26626 1 535 . 1 1 139 139 GLU N N 15 118.412 0.051 . 1 . 741 . . 139 GLU N . 26626 1 536 . 1 1 140 140 GLU H H 1 8.748 0.004 . 1 . 742 . . 140 GLU H . 26626 1 537 . 1 1 140 140 GLU CA C 13 58.667 0.032 . 1 . 805 . . 140 GLU CA . 26626 1 538 . 1 1 140 140 GLU CB C 13 29.799 0.023 . 1 . 885 . . 140 GLU CB . 26626 1 539 . 1 1 140 140 GLU N N 15 119.870 0.039 . 1 . 743 . . 140 GLU N . 26626 1 540 . 1 1 141 141 PHE H H 1 8.779 0.003 . 1 . 883 . . 141 PHE H . 26626 1 541 . 1 1 141 141 PHE CA C 13 61.658 0.036 . 1 . 884 . . 141 PHE CA . 26626 1 542 . 1 1 141 141 PHE CB C 13 40.209 0.024 . 1 . 893 . . 141 PHE CB . 26626 1 543 . 1 1 141 141 PHE N N 15 124.569 0.048 . 1 . 882 . . 141 PHE N . 26626 1 544 . 1 1 142 142 VAL H H 1 8.492 0.009 . 1 . 888 . . 142 VAL H . 26626 1 545 . 1 1 142 142 VAL CA C 13 66.956 0.034 . 1 . 889 . . 142 VAL CA . 26626 1 546 . 1 1 142 142 VAL CB C 13 31.617 0.019 . 1 . 894 . . 142 VAL CB . 26626 1 547 . 1 1 142 142 VAL N N 15 118.474 0.077 . 1 . 887 . . 142 VAL N . 26626 1 548 . 1 1 143 143 GLN H H 1 7.584 0.01 . 1 . 891 . . 143 GLN H . 26626 1 549 . 1 1 143 143 GLN CA C 13 58.756 0.024 . 1 . 892 . . 143 GLN CA . 26626 1 550 . 1 1 143 143 GLN CB C 13 28.237 0.043 . 1 . 913 . . 143 GLN CB . 26626 1 551 . 1 1 143 143 GLN N N 15 118.378 0.086 . 1 . 890 . . 143 GLN N . 26626 1 552 . 1 1 144 144 MET H H 1 7.794 0.012 . 1 . 896 . . 144 MET H . 26626 1 553 . 1 1 144 144 MET CA C 13 57.762 0.037 . 1 . 897 . . 144 MET CA . 26626 1 554 . 1 1 144 144 MET CB C 13 32.888 0.054 . 1 . 899 . . 144 MET CB . 26626 1 555 . 1 1 144 144 MET N N 15 118.322 0.058 . 1 . 895 . . 144 MET N . 26626 1 556 . 1 1 145 145 MET H H 1 7.590 0.005 . 1 . 746 . . 145 MET H . 26626 1 557 . 1 1 145 145 MET CA C 13 55.498 0.025 . 1 . 813 . . 145 MET CA . 26626 1 558 . 1 1 145 145 MET N N 15 114.985 0.046 . 1 . 747 . . 145 MET N . 26626 1 559 . 1 1 146 146 THR H H 1 7.570 0.004 . 1 . 744 . . 146 THR H . 26626 1 560 . 1 1 146 146 THR CA C 13 62.302 0.038 . 1 . 812 . . 146 THR CA . 26626 1 561 . 1 1 146 146 THR CB C 13 70.341 0.021 . 1 . 898 . . 146 THR CB . 26626 1 562 . 1 1 146 146 THR N N 15 111.444 0.036 . 1 . 745 . . 146 THR N . 26626 1 563 . 1 1 147 147 ALA H H 1 7.927 0.004 . 1 . 810 . . 147 ALA H . 26626 1 564 . 1 1 147 147 ALA CA C 13 52.965 0.015 . 1 . 807 . . 147 ALA CA . 26626 1 565 . 1 1 147 147 ALA CB C 13 19.027 0.017 . 1 . 902 . . 147 ALA CB . 26626 1 566 . 1 1 147 147 ALA N N 15 127.223 0.136 . 1 . 811 . . 147 ALA N . 26626 1 567 . 1 1 148 148 LYS H H 1 7.854 0.002 . 1 . 806 . . 148 LYS H . 26626 1 568 . 1 1 148 148 LYS CA C 13 57.465 0.004 . 1 . 809 . . 148 LYS CA . 26626 1 569 . 1 1 148 148 LYS CB C 13 33.731 . . 1 . 901 . . 148 LYS CB . 26626 1 570 . 1 1 148 148 LYS N N 15 125.918 0.033 . 1 . 808 . . 148 LYS N . 26626 1 stop_ save_