data_15624 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15624 _Entry.Title ; Structure of Calmodulin complexed with the Calmodulin Binding Domain of Calcineurin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-01-10 _Entry.Accession_date 2008-01-10 _Entry.Last_release_date 2008-01-10 _Entry.Original_release_date 2008-01-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 Chia-Lin Chyan . . . . 15624 2 Deli Irene . . . . 15624 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' . 15624 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Calcium binding protein' . 15624 calcineurin . 15624 calmodulin . 15624 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15624 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 696 15624 '15N chemical shifts' 179 15624 '1H chemical shifts' 1151 15624 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-10-15 . original BMRB . 15624 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6023 '1H, 15N, and 13C resonance assignments of calmodulin complexed with the calmodulin-binding domain of calcineurin' 15624 PDB 2JZI 'BMRB Entry Tracking System' 15624 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15624 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of Calmodulin complexed with the Calmodulin Binding Domain of Calcineurin ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Chia-Lin Chyan . . . . 15624 1 2 Deli Irene . . . . 15624 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 15624 1 calcineurin 15624 1 calmodulin 15624 1 'molecular interaction' 15624 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15624 _Assembly.ID 1 _Assembly.Name CaMCaNp _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 'complex of calmodulin and calmodulin binding domain of calcineurin' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $Calmodulin A . yes native no no . . . 15624 1 2 entity_2 2 $Calmodulin_binding_domain_of_Calcineurin B . yes native no no . . . 15624 1 3 'CALCIUM ION' 3 $CA C . no native no no . . . 15624 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 2F2O . . X-ray . . . 15624 1 yes PDB 2bbm . . 'solution NMR' . . . 15624 1 yes PDB 3cln . . 'solution NMR' . . . 15624 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'protein-protein interaction' 15624 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'protein phosphatase 2B activator' 15624 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Calmodulin _Entity.Sf_category entity _Entity.Sf_framecode Calmodulin _Entity.Entry_ID 15624 _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 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 man _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 PIR P0DP23 . calmodulin . . . . . . . . . . . . . . 15624 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'calcium binding protein' 15624 1 'regualte calcium-related pathway' 15624 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 . 15624 1 2 . ASP . 15624 1 3 . GLN . 15624 1 4 . LEU . 15624 1 5 . THR . 15624 1 6 . GLU . 15624 1 7 . GLU . 15624 1 8 . GLN . 15624 1 9 . ILE . 15624 1 10 . ALA . 15624 1 11 . GLU . 15624 1 12 . PHE . 15624 1 13 . LYS . 15624 1 14 . GLU . 15624 1 15 . ALA . 15624 1 16 . PHE . 15624 1 17 . SER . 15624 1 18 . LEU . 15624 1 19 . PHE . 15624 1 20 . ASP . 15624 1 21 . LYS . 15624 1 22 . ASP . 15624 1 23 . GLY . 15624 1 24 . ASP . 15624 1 25 . GLY . 15624 1 26 . THR . 15624 1 27 . ILE . 15624 1 28 . THR . 15624 1 29 . THR . 15624 1 30 . LYS . 15624 1 31 . GLU . 15624 1 32 . LEU . 15624 1 33 . GLY . 15624 1 34 . THR . 15624 1 35 . VAL . 15624 1 36 . MET . 15624 1 37 . ARG . 15624 1 38 . SER . 15624 1 39 . LEU . 15624 1 40 . GLY . 15624 1 41 . GLN . 15624 1 42 . ASN . 15624 1 43 . PRO . 15624 1 44 . THR . 15624 1 45 . GLU . 15624 1 46 . ALA . 15624 1 47 . GLU . 15624 1 48 . LEU . 15624 1 49 . GLN . 15624 1 50 . ASP . 15624 1 51 . MET . 15624 1 52 . ILE . 15624 1 53 . ASN . 15624 1 54 . GLU . 15624 1 55 . VAL . 15624 1 56 . ASP . 15624 1 57 . ALA . 15624 1 58 . ASP . 15624 1 59 . GLY . 15624 1 60 . ASN . 15624 1 61 . GLY . 15624 1 62 . THR . 15624 1 63 . ILE . 15624 1 64 . ASP . 15624 1 65 . PHE . 15624 1 66 . PRO . 15624 1 67 . GLU . 15624 1 68 . PHE . 15624 1 69 . LEU . 15624 1 70 . THR . 15624 1 71 . MET . 15624 1 72 . MET . 15624 1 73 . ALA . 15624 1 74 . ARG . 15624 1 75 . LYS . 15624 1 76 . MET . 15624 1 77 . LYS . 15624 1 78 . ASP . 15624 1 79 . THR . 15624 1 80 . ASP . 15624 1 81 . SER . 15624 1 82 . GLU . 15624 1 83 . GLU . 15624 1 84 . GLU . 15624 1 85 . ILE . 15624 1 86 . ARG . 15624 1 87 . GLU . 15624 1 88 . ALA . 15624 1 89 . PHE . 15624 1 90 . ARG . 15624 1 91 . VAL . 15624 1 92 . PHE . 15624 1 93 . ASP . 15624 1 94 . LYS . 15624 1 95 . ASP . 15624 1 96 . GLY . 15624 1 97 . ASN . 15624 1 98 . GLY . 15624 1 99 . TYR . 15624 1 100 . ILE . 15624 1 101 . SER . 15624 1 102 . ALA . 15624 1 103 . ALA . 15624 1 104 . GLU . 15624 1 105 . LEU . 15624 1 106 . ARG . 15624 1 107 . HIS . 15624 1 108 . VAL . 15624 1 109 . MET . 15624 1 110 . THR . 15624 1 111 . ASN . 15624 1 112 . LEU . 15624 1 113 . GLY . 15624 1 114 . GLU . 15624 1 115 . LYS . 15624 1 116 . LEU . 15624 1 117 . THR . 15624 1 118 . ASP . 15624 1 119 . GLU . 15624 1 120 . GLU . 15624 1 121 . VAL . 15624 1 122 . ASP . 15624 1 123 . GLU . 15624 1 124 . MET . 15624 1 125 . ILE . 15624 1 126 . ARG . 15624 1 127 . GLU . 15624 1 128 . ALA . 15624 1 129 . ASP . 15624 1 130 . ILE . 15624 1 131 . ASP . 15624 1 132 . GLY . 15624 1 133 . ASP . 15624 1 134 . GLY . 15624 1 135 . GLN . 15624 1 136 . VAL . 15624 1 137 . ASN . 15624 1 138 . TYR . 15624 1 139 . GLU . 15624 1 140 . GLU . 15624 1 141 . PHE . 15624 1 142 . VAL . 15624 1 143 . GLN . 15624 1 144 . MET . 15624 1 145 . MET . 15624 1 146 . THR . 15624 1 147 . ALA . 15624 1 148 . LYS . 15624 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 15624 1 . ASP 2 2 15624 1 . GLN 3 3 15624 1 . LEU 4 4 15624 1 . THR 5 5 15624 1 . GLU 6 6 15624 1 . GLU 7 7 15624 1 . GLN 8 8 15624 1 . ILE 9 9 15624 1 . ALA 10 10 15624 1 . GLU 11 11 15624 1 . PHE 12 12 15624 1 . LYS 13 13 15624 1 . GLU 14 14 15624 1 . ALA 15 15 15624 1 . PHE 16 16 15624 1 . SER 17 17 15624 1 . LEU 18 18 15624 1 . PHE 19 19 15624 1 . ASP 20 20 15624 1 . LYS 21 21 15624 1 . ASP 22 22 15624 1 . GLY 23 23 15624 1 . ASP 24 24 15624 1 . GLY 25 25 15624 1 . THR 26 26 15624 1 . ILE 27 27 15624 1 . THR 28 28 15624 1 . THR 29 29 15624 1 . LYS 30 30 15624 1 . GLU 31 31 15624 1 . LEU 32 32 15624 1 . GLY 33 33 15624 1 . THR 34 34 15624 1 . VAL 35 35 15624 1 . MET 36 36 15624 1 . ARG 37 37 15624 1 . SER 38 38 15624 1 . LEU 39 39 15624 1 . GLY 40 40 15624 1 . GLN 41 41 15624 1 . ASN 42 42 15624 1 . PRO 43 43 15624 1 . THR 44 44 15624 1 . GLU 45 45 15624 1 . ALA 46 46 15624 1 . GLU 47 47 15624 1 . LEU 48 48 15624 1 . GLN 49 49 15624 1 . ASP 50 50 15624 1 . MET 51 51 15624 1 . ILE 52 52 15624 1 . ASN 53 53 15624 1 . GLU 54 54 15624 1 . VAL 55 55 15624 1 . ASP 56 56 15624 1 . ALA 57 57 15624 1 . ASP 58 58 15624 1 . GLY 59 59 15624 1 . ASN 60 60 15624 1 . GLY 61 61 15624 1 . THR 62 62 15624 1 . ILE 63 63 15624 1 . ASP 64 64 15624 1 . PHE 65 65 15624 1 . PRO 66 66 15624 1 . GLU 67 67 15624 1 . PHE 68 68 15624 1 . LEU 69 69 15624 1 . THR 70 70 15624 1 . MET 71 71 15624 1 . MET 72 72 15624 1 . ALA 73 73 15624 1 . ARG 74 74 15624 1 . LYS 75 75 15624 1 . MET 76 76 15624 1 . LYS 77 77 15624 1 . ASP 78 78 15624 1 . THR 79 79 15624 1 . ASP 80 80 15624 1 . SER 81 81 15624 1 . GLU 82 82 15624 1 . GLU 83 83 15624 1 . GLU 84 84 15624 1 . ILE 85 85 15624 1 . ARG 86 86 15624 1 . GLU 87 87 15624 1 . ALA 88 88 15624 1 . PHE 89 89 15624 1 . ARG 90 90 15624 1 . VAL 91 91 15624 1 . PHE 92 92 15624 1 . ASP 93 93 15624 1 . LYS 94 94 15624 1 . ASP 95 95 15624 1 . GLY 96 96 15624 1 . ASN 97 97 15624 1 . GLY 98 98 15624 1 . TYR 99 99 15624 1 . ILE 100 100 15624 1 . SER 101 101 15624 1 . ALA 102 102 15624 1 . ALA 103 103 15624 1 . GLU 104 104 15624 1 . LEU 105 105 15624 1 . ARG 106 106 15624 1 . HIS 107 107 15624 1 . VAL 108 108 15624 1 . MET 109 109 15624 1 . THR 110 110 15624 1 . ASN 111 111 15624 1 . LEU 112 112 15624 1 . GLY 113 113 15624 1 . GLU 114 114 15624 1 . LYS 115 115 15624 1 . LEU 116 116 15624 1 . THR 117 117 15624 1 . ASP 118 118 15624 1 . GLU 119 119 15624 1 . GLU 120 120 15624 1 . VAL 121 121 15624 1 . ASP 122 122 15624 1 . GLU 123 123 15624 1 . MET 124 124 15624 1 . ILE 125 125 15624 1 . ARG 126 126 15624 1 . GLU 127 127 15624 1 . ALA 128 128 15624 1 . ASP 129 129 15624 1 . ILE 130 130 15624 1 . ASP 131 131 15624 1 . GLY 132 132 15624 1 . ASP 133 133 15624 1 . GLY 134 134 15624 1 . GLN 135 135 15624 1 . VAL 136 136 15624 1 . ASN 137 137 15624 1 . TYR 138 138 15624 1 . GLU 139 139 15624 1 . GLU 140 140 15624 1 . PHE 141 141 15624 1 . VAL 142 142 15624 1 . GLN 143 143 15624 1 . MET 144 144 15624 1 . MET 145 145 15624 1 . THR 146 146 15624 1 . ALA 147 147 15624 1 . LYS 148 148 15624 1 stop_ save_ save_Calmodulin_binding_domain_of_Calcineurin _Entity.Sf_category entity _Entity.Sf_framecode Calmodulin_binding_domain_of_Calcineurin _Entity.Entry_ID 15624 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Calmodulin_binding_domain_of_Calcineurin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ARKEVIRNKIRAIGKMARVF SVLR ; _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 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'calmodulin binding domain of calcineurin' _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 EMBL L14778 . P2BA_HUMAN . . . . . . . . . . . . . . 15624 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'serine/threonine protein phosphatase 2B' 15624 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 . ALA . 15624 2 2 . ARG . 15624 2 3 . LYS . 15624 2 4 . GLU . 15624 2 5 . VAL . 15624 2 6 . ILE . 15624 2 7 . ARG . 15624 2 8 . ASN . 15624 2 9 . LYS . 15624 2 10 . ILE . 15624 2 11 . ARG . 15624 2 12 . ALA . 15624 2 13 . ILE . 15624 2 14 . GLY . 15624 2 15 . LYS . 15624 2 16 . MET . 15624 2 17 . ALA . 15624 2 18 . ARG . 15624 2 19 . VAL . 15624 2 20 . PHE . 15624 2 21 . SER . 15624 2 22 . VAL . 15624 2 23 . LEU . 15624 2 24 . ARG . 15624 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 . ALA 1 1 15624 2 . ARG 2 2 15624 2 . LYS 3 3 15624 2 . GLU 4 4 15624 2 . VAL 5 5 15624 2 . ILE 6 6 15624 2 . ARG 7 7 15624 2 . ASN 8 8 15624 2 . LYS 9 9 15624 2 . ILE 10 10 15624 2 . ARG 11 11 15624 2 . ALA 12 12 15624 2 . ILE 13 13 15624 2 . GLY 14 14 15624 2 . LYS 15 15 15624 2 . MET 16 16 15624 2 . ALA 17 17 15624 2 . ARG 18 18 15624 2 . VAL 19 19 15624 2 . PHE 20 20 15624 2 . SER 21 21 15624 2 . VAL 22 22 15624 2 . LEU 23 23 15624 2 . ARG 24 24 15624 2 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 15624 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name 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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _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 . CA . 15624 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 15624 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 15624 1 2 2 $Calmodulin_binding_domain_of_Calcineurin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 15624 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 15624 _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)' . . . . . pET29c . . . 15624 1 2 2 $Calmodulin_binding_domain_of_Calcineurin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 15624 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 15624 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 20 19:28:44 2007 ; _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 InChI=1/Ca/q+2 INCHI InChi 1 15624 CA [Ca++] SMILES_CANONICAL CACTVS 2.87 15624 CA [Ca+2] SMILES OpenEye/OEToolkits 1.4.2 15624 CA [Ca+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15624 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(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15624 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 . N . 2 . . . . no no . . . . . . . . . . . . . . . 15624 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CaMCaNp _Sample.Sf_category sample _Sample.Sf_framecode CaMCaNp _Sample.Entry_ID 15624 _Sample.ID 1 _Sample.Name . _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 . . 1 . . mM 0.05 . . . 15624 1 2 'Calmodulin binding domain of Calcineurin' '[U-99% 13C; U-99% 15N]' . . 2 $Calmodulin_binding_domain_of_Calcineurin . . 1 . . mM 0.05 . . . 15624 1 3 'CALCIUM ION' . . . 3 $CA . . 1 . . mM 0.05 . . . 15624 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15624 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.05 pH 15624 1 temperature 310 0.1 K 15624 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15624 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 15624 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'automated NOEs assignment' 15624 1 . 'structure calculation' 15624 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 15624 _Software.ID 2 _Software.Type . _Software.Name AURELIA _Software.Version 3.6 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer' . . 15624 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 15624 2 . processing 15624 2 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 15624 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'High Field Nuclear Magnetic Center, Academia Sinica, Taiwan' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15624 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'National Dong Hwa University' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 15624 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 'High Field Nuclear Magnetic Center, Academia Sinica, Taiwan' . . 15624 1 2 spectrometer_2 Bruker Avance . 600 'National Dong Hwa University' . . 15624 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 15624 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $CaMCaNp isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15624 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $CaMCaNp isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15624 1 3 '3D HNCA' no . . . . . . . . . . 1 $CaMCaNp isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15624 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $CaMCaNp isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15624 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $CaMCaNp isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15624 1 6 '3D CBCANH' no . . . . . . . . . . 1 $CaMCaNp isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15624 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $CaMCaNp isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15624 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $CaMCaNp isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15624 1 9 '3D HNCO' no . . . . . . . . . . 1 $CaMCaNp isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15624 1 10 '3D HCCH TOCSY' no . . . . . . . . . . 1 $CaMCaNp isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15624 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $CaMCaNp isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15624 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $CaMCaNp isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15624 1 13 '2D DQF-COSY' no . . . . . . . . . . 1 $CaMCaNp isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15624 1 14 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $CaMCaNp isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15624 1 15 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $CaMCaNp isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15624 1 16 '3D H(CCO)NH' no . . . . . . . . . . 1 $CaMCaNp isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15624 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 15624 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . 15624 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 15624 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . 15624 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 15624 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 15624 1 2 '2D 1H-13C HSQC' . . . 15624 1 3 '3D HNCA' . . . 15624 1 4 '3D HN(CO)CA' . . . 15624 1 5 '3D CBCA(CO)NH' . . . 15624 1 6 '3D CBCANH' . . . 15624 1 7 '3D C(CO)NH' . . . 15624 1 8 '3D HBHA(CO)NH' . . . 15624 1 9 '3D HNCO' . . . 15624 1 10 '3D HCCH TOCSY' . . . 15624 1 11 '3D 1H-15N NOESY' . . . 15624 1 12 '3D 1H-13C NOESY' . . . 15624 1 13 '2D DQF-COSY' . . . 15624 1 14 '2D 1H-1H TOCSY' . . . 15624 1 15 '2D 1H-1H NOESY' . . . 15624 1 16 '3D H(CCO)NH' . . . 15624 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA HA H 1 4.087 0.02 . . . . . . . 1 ALA HA . 15624 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.520 0.02 . . . . . . . 1 ALA QB . 15624 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.520 0.02 . . . . . . . 1 ALA QB . 15624 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.520 0.02 . . . . . . . 1 ALA QB . 15624 1 5 . 1 . 1 1 1 ALA CA C 13 51.911 0.20 . . . . . . . 1 ALA CA . 15624 1 6 . 1 . 1 1 1 ALA CB C 13 19.374 0.20 . . . . . . . 1 ALA CB . 15624 1 7 . 1 . 1 2 2 ASP HA H 1 4.649 0.02 . . . . . . . 2 ASP HA . 15624 1 8 . 1 . 1 2 2 ASP HB2 H 1 2.709 0.02 . . . . . . . 2 ASP HB2 . 15624 1 9 . 1 . 1 2 2 ASP HB3 H 1 2.564 0.02 . . . . . . . 2 ASP HB3 . 15624 1 10 . 1 . 1 2 2 ASP C C 13 175.791 0.10 . . . . . . . 2 ASP C . 15624 1 11 . 1 . 1 2 2 ASP CA C 13 54.372 0.20 . . . . . . . 2 ASP CA . 15624 1 12 . 1 . 1 2 2 ASP CB C 13 41.385 0.20 . . . . . . . 2 ASP CB . 15624 1 13 . 1 . 1 3 3 GLN H H 1 8.317 0.02 . . . . . . . 3 GLN H . 15624 1 14 . 1 . 1 3 3 GLN HA H 1 4.386 0.02 . . . . . . . 3 GLN HA . 15624 1 15 . 1 . 1 3 3 GLN HB2 H 1 2.103 0.02 . . . . . . . 3 GLN HB2 . 15624 1 16 . 1 . 1 3 3 GLN HB3 H 1 1.986 0.02 . . . . . . . 3 GLN HB3 . 15624 1 17 . 1 . 1 3 3 GLN HE21 H 1 6.800 0.02 . . . . . . . 3 GLN HE21 . 15624 1 18 . 1 . 1 3 3 GLN HE22 H 1 7.460 0.02 . . . . . . . 3 GLN HE22 . 15624 1 19 . 1 . 1 3 3 GLN HG2 H 1 2.355 0.02 . . . . . . . 3 GLN HG2 . 15624 1 20 . 1 . 1 3 3 GLN HG3 H 1 2.206 0.02 . . . . . . . 3 GLN HG3 . 15624 1 21 . 1 . 1 3 3 GLN C C 13 175.768 0.10 . . . . . . . 3 GLN C . 15624 1 22 . 1 . 1 3 3 GLN CA C 13 55.534 0.20 . . . . . . . 3 GLN CA . 15624 1 23 . 1 . 1 3 3 GLN CB C 13 29.696 0.20 . . . . . . . 3 GLN CB . 15624 1 24 . 1 . 1 3 3 GLN CD C 13 180.323 0.20 . . . . . . . 3 GLN CD . 15624 1 25 . 1 . 1 3 3 GLN CG C 13 33.729 0.20 . . . . . . . 3 GLN CG . 15624 1 26 . 1 . 1 3 3 GLN N N 15 120.107 0.10 . . . . . . . 3 GLN N . 15624 1 27 . 1 . 1 3 3 GLN NE2 N 15 111.851 0.10 . . . . . . . 3 GLN NE2 . 15624 1 28 . 1 . 1 4 4 LEU H H 1 8.223 0.02 . . . . . . . 4 LEU H . 15624 1 29 . 1 . 1 4 4 LEU HA H 1 4.692 0.02 . . . . . . . 4 LEU HA . 15624 1 30 . 1 . 1 4 4 LEU HB2 H 1 1.725 0.02 . . . . . . . 4 LEU HB2 . 15624 1 31 . 1 . 1 4 4 LEU HB3 H 1 1.548 0.02 . . . . . . . 4 LEU HB3 . 15624 1 32 . 1 . 1 4 4 LEU HD11 H 1 0.913 0.02 . . . . . . . 4 LEU QD1 . 15624 1 33 . 1 . 1 4 4 LEU HD12 H 1 0.913 0.02 . . . . . . . 4 LEU QD1 . 15624 1 34 . 1 . 1 4 4 LEU HD13 H 1 0.913 0.02 . . . . . . . 4 LEU QD1 . 15624 1 35 . 1 . 1 4 4 LEU HD21 H 1 0.925 0.02 . . . . . . . 4 LEU QD2 . 15624 1 36 . 1 . 1 4 4 LEU HD22 H 1 0.925 0.02 . . . . . . . 4 LEU QD2 . 15624 1 37 . 1 . 1 4 4 LEU HD23 H 1 0.925 0.02 . . . . . . . 4 LEU QD2 . 15624 1 38 . 1 . 1 4 4 LEU C C 13 177.888 0.10 . . . . . . . 4 LEU C . 15624 1 39 . 1 . 1 4 4 LEU CA C 13 54.372 0.20 . . . . . . . 4 LEU CA . 15624 1 40 . 1 . 1 4 4 LEU CB C 13 43.572 0.20 . . . . . . . 4 LEU CB . 15624 1 41 . 1 . 1 4 4 LEU CD1 C 13 23.681 0.20 . . . . . . . 4 LEU CD1 . 15624 1 42 . 1 . 1 4 4 LEU CD2 C 13 26.005 0.20 . . . . . . . 4 LEU CD2 . 15624 1 43 . 1 . 1 4 4 LEU CG C 13 26.769 0.20 . . . . . . . 4 LEU CG . 15624 1 44 . 1 . 1 4 4 LEU N N 15 123.389 0.10 . . . . . . . 4 LEU N . 15624 1 45 . 1 . 1 5 5 THR H H 1 8.687 0.02 . . . . . . . 5 THR H . 15624 1 46 . 1 . 1 5 5 THR HA H 1 4.502 0.02 . . . . . . . 5 THR HA . 15624 1 47 . 1 . 1 5 5 THR HB H 1 4.769 0.02 . . . . . . . 5 THR HB . 15624 1 48 . 1 . 1 5 5 THR HG21 H 1 1.351 0.02 . . . . . . . 5 THR QG2 . 15624 1 49 . 1 . 1 5 5 THR HG22 H 1 1.351 0.02 . . . . . . . 5 THR QG2 . 15624 1 50 . 1 . 1 5 5 THR HG23 H 1 1.351 0.02 . . . . . . . 5 THR QG2 . 15624 1 51 . 1 . 1 5 5 THR C C 13 175.563 0.10 . . . . . . . 5 THR C . 15624 1 52 . 1 . 1 5 5 THR CA C 13 60.524 0.20 . . . . . . . 5 THR CA . 15624 1 53 . 1 . 1 5 5 THR CB C 13 71.119 0.20 . . . . . . . 5 THR CB . 15624 1 54 . 1 . 1 5 5 THR CG2 C 13 21.835 0.20 . . . . . . . 5 THR CG2 . 15624 1 55 . 1 . 1 5 5 THR N N 15 113.163 0.10 . . . . . . . 5 THR N . 15624 1 56 . 1 . 1 6 6 GLU H H 1 8.968 0.02 . . . . . . . 6 GLU H . 15624 1 57 . 1 . 1 6 6 GLU HA H 1 3.997 0.02 . . . . . . . 6 GLU HA . 15624 1 58 . 1 . 1 6 6 GLU HB2 H 1 2.081 0.02 . . . . . . . 6 GLU HB2 . 15624 1 59 . 1 . 1 6 6 GLU HB3 H 1 1.968 0.02 . . . . . . . 6 GLU HB3 . 15624 1 60 . 1 . 1 6 6 GLU HG2 H 1 2.352 0.02 . . . . . . . 6 GLU HG2 . 15624 1 61 . 1 . 1 6 6 GLU HG3 H 1 2.386 0.02 . . . . . . . 6 GLU HG3 . 15624 1 62 . 1 . 1 6 6 GLU C C 13 179.642 0.10 . . . . . . . 6 GLU C . 15624 1 63 . 1 . 1 6 6 GLU CA C 13 59.977 0.20 . . . . . . . 6 GLU CA . 15624 1 64 . 1 . 1 6 6 GLU CB C 13 29.218 0.20 . . . . . . . 6 GLU CB . 15624 1 65 . 1 . 1 6 6 GLU CG C 13 36.190 0.20 . . . . . . . 6 GLU CG . 15624 1 66 . 1 . 1 6 6 GLU N N 15 120.459 0.10 . . . . . . . 6 GLU N . 15624 1 67 . 1 . 1 7 7 GLU H H 1 8.575 0.02 . . . . . . . 7 GLU H . 15624 1 68 . 1 . 1 7 7 GLU HA H 1 4.063 0.02 . . . . . . . 7 GLU HA . 15624 1 69 . 1 . 1 7 7 GLU HB2 H 1 2.081 0.02 . . . . . . . 7 GLU HB2 . 15624 1 70 . 1 . 1 7 7 GLU HB3 H 1 1.939 0.02 . . . . . . . 7 GLU HB3 . 15624 1 71 . 1 . 1 7 7 GLU HG2 H 1 2.331 0.02 . . . . . . . 7 GLU HG2 . 15624 1 72 . 1 . 1 7 7 GLU HG3 H 1 2.293 0.02 . . . . . . . 7 GLU HG3 . 15624 1 73 . 1 . 1 7 7 GLU C C 13 178.736 0.10 . . . . . . . 7 GLU C . 15624 1 74 . 1 . 1 7 7 GLU CA C 13 59.977 0.20 . . . . . . . 7 GLU CA . 15624 1 75 . 1 . 1 7 7 GLU CB C 13 29.149 0.20 . . . . . . . 7 GLU CB . 15624 1 76 . 1 . 1 7 7 GLU CG C 13 36.190 0.20 . . . . . . . 7 GLU CG . 15624 1 77 . 1 . 1 7 7 GLU N N 15 119.873 0.10 . . . . . . . 7 GLU N . 15624 1 78 . 1 . 1 8 8 GLN H H 1 7.707 0.02 . . . . . . . 8 GLN H . 15624 1 79 . 1 . 1 8 8 GLN HA H 1 4.053 0.02 . . . . . . . 8 GLN HA . 15624 1 80 . 1 . 1 8 8 GLN HB2 H 1 2.406 0.02 . . . . . . . 8 GLN HB2 . 15624 1 81 . 1 . 1 8 8 GLN HB3 H 1 1.877 0.02 . . . . . . . 8 GLN HB3 . 15624 1 82 . 1 . 1 8 8 GLN HE21 H 1 7.484 0.02 . . . . . . . 8 GLN HE21 . 15624 1 83 . 1 . 1 8 8 GLN HE22 H 1 6.803 0.02 . . . . . . . 8 GLN HE22 . 15624 1 84 . 1 . 1 8 8 GLN HG2 H 1 2.358 0.02 . . . . . . . 8 GLN HG2 . 15624 1 85 . 1 . 1 8 8 GLN HG3 H 1 2.412 0.02 . . . . . . . 8 GLN HG3 . 15624 1 86 . 1 . 1 8 8 GLN C C 13 179.551 0.10 . . . . . . . 8 GLN C . 15624 1 87 . 1 . 1 8 8 GLN CA C 13 58.615 0.20 . . . . . . . 8 GLN CA . 15624 1 88 . 1 . 1 8 8 GLN CB C 13 29.423 0.20 . . . . . . . 8 GLN CB . 15624 1 89 . 1 . 1 8 8 GLN CD C 13 180.846 0.20 . . . . . . . 8 GLN CD . 15624 1 90 . 1 . 1 8 8 GLN CG C 13 35.233 0.20 . . . . . . . 8 GLN CG . 15624 1 91 . 1 . 1 8 8 GLN N N 15 119.052 0.10 . . . . . . . 8 GLN N . 15624 1 92 . 1 . 1 8 8 GLN NE2 N 15 111.898 0.10 . . . . . . . 8 GLN NE2 . 15624 1 93 . 1 . 1 9 9 ILE H H 1 8.429 0.02 . . . . . . . 9 ILE H . 15624 1 94 . 1 . 1 9 9 ILE HA H 1 3.819 0.02 . . . . . . . 9 ILE HA . 15624 1 95 . 1 . 1 9 9 ILE HB H 1 2.023 0.02 . . . . . . . 9 ILE HB . 15624 1 96 . 1 . 1 9 9 ILE HD11 H 1 0.886 0.02 . . . . . . . 9 ILE QD1 . 15624 1 97 . 1 . 1 9 9 ILE HD12 H 1 0.886 0.02 . . . . . . . 9 ILE QD1 . 15624 1 98 . 1 . 1 9 9 ILE HD13 H 1 0.886 0.02 . . . . . . . 9 ILE QD1 . 15624 1 99 . 1 . 1 9 9 ILE HG12 H 1 1.851 0.02 . . . . . . . 9 ILE HG12 . 15624 1 100 . 1 . 1 9 9 ILE HG13 H 1 1.851 0.02 . . . . . . . 9 ILE HG13 . 15624 1 101 . 1 . 1 9 9 ILE HG21 H 1 1.142 0.02 . . . . . . . 9 ILE QG2 . 15624 1 102 . 1 . 1 9 9 ILE HG22 H 1 1.142 0.02 . . . . . . . 9 ILE QG2 . 15624 1 103 . 1 . 1 9 9 ILE HG23 H 1 1.142 0.02 . . . . . . . 9 ILE QG2 . 15624 1 104 . 1 . 1 9 9 ILE C C 13 179.385 0.10 . . . . . . . 9 ILE C . 15624 1 105 . 1 . 1 9 9 ILE CA C 13 66.225 0.20 . . . . . . . 9 ILE CA . 15624 1 106 . 1 . 1 9 9 ILE CB C 13 37.694 0.20 . . . . . . . 9 ILE CB . 15624 1 107 . 1 . 1 9 9 ILE CD1 C 13 12.744 0.20 . . . . . . . 9 ILE CD1 . 15624 1 108 . 1 . 1 9 9 ILE CG1 C 13 30.193 0.20 . . . . . . . 9 ILE CG1 . 15624 1 109 . 1 . 1 9 9 ILE CG2 C 13 17.187 0.20 . . . . . . . 9 ILE CG2 . 15624 1 110 . 1 . 1 9 9 ILE N N 15 119.873 0.10 . . . . . . . 9 ILE N . 15624 1 111 . 1 . 1 10 10 ALA H H 1 8.071 0.02 . . . . . . . 10 ALA H . 15624 1 112 . 1 . 1 10 10 ALA HA H 1 4.150 0.02 . . . . . . . 10 ALA HA . 15624 1 113 . 1 . 1 10 10 ALA HB1 H 1 1.581 0.02 . . . . . . . 10 ALA QB . 15624 1 114 . 1 . 1 10 10 ALA HB2 H 1 1.581 0.02 . . . . . . . 10 ALA QB . 15624 1 115 . 1 . 1 10 10 ALA HB3 H 1 1.581 0.02 . . . . . . . 10 ALA QB . 15624 1 116 . 1 . 1 10 10 ALA C C 13 181.357 0.10 . . . . . . . 10 ALA C . 15624 1 117 . 1 . 1 10 10 ALA CA C 13 55.534 0.20 . . . . . . . 10 ALA CA . 15624 1 118 . 1 . 1 10 10 ALA CB C 13 17.802 0.20 . . . . . . . 10 ALA CB . 15624 1 119 . 1 . 1 10 10 ALA N N 15 122.129 0.10 . . . . . . . 10 ALA N . 15624 1 120 . 1 . 1 11 11 GLU H H 1 7.965 0.02 . . . . . . . 11 GLU H . 15624 1 121 . 1 . 1 11 11 GLU HA H 1 4.099 0.02 . . . . . . . 11 GLU HA . 15624 1 122 . 1 . 1 11 11 GLU HB2 H 1 2.158 0.02 . . . . . . . 11 GLU HB2 . 15624 1 123 . 1 . 1 11 11 GLU HB3 H 1 1.573 0.02 . . . . . . . 11 GLU HB3 . 15624 1 124 . 1 . 1 11 11 GLU HG2 H 1 2.522 0.02 . . . . . . . 11 GLU HG2 . 15624 1 125 . 1 . 1 11 11 GLU HG3 H 1 2.501 0.02 . . . . . . . 11 GLU HG3 . 15624 1 126 . 1 . 1 11 11 GLU C C 13 180.726 0.10 . . . . . . . 11 GLU C . 15624 1 127 . 1 . 1 11 11 GLU CA C 13 59.362 0.20 . . . . . . . 11 GLU CA . 15624 1 128 . 1 . 1 11 11 GLU CB C 13 29.218 0.20 . . . . . . . 11 GLU CB . 15624 1 129 . 1 . 1 11 11 GLU CG C 13 36.326 0.20 . . . . . . . 11 GLU CG . 15624 1 130 . 1 . 1 11 11 GLU N N 15 118.789 0.10 . . . . . . . 11 GLU N . 15624 1 131 . 1 . 1 12 12 PHE H H 1 8.452 0.02 . . . . . . . 12 PHE H . 15624 1 132 . 1 . 1 12 12 PHE HA H 1 4.850 0.02 . . . . . . . 12 PHE HA . 15624 1 133 . 1 . 1 12 12 PHE HB2 H 1 3.563 0.02 . . . . . . . 12 PHE HB2 . 15624 1 134 . 1 . 1 12 12 PHE HB3 H 1 3.420 0.02 . . . . . . . 12 PHE HB3 . 15624 1 135 . 1 . 1 12 12 PHE HD1 H 1 7.177 0.02 . . . . . . . 12 PHE HD1 . 15624 1 136 . 1 . 1 12 12 PHE HD2 H 1 7.177 0.02 . . . . . . . 12 PHE HD2 . 15624 1 137 . 1 . 1 12 12 PHE HE1 H 1 7.365 0.02 . . . . . . . 12 PHE HE1 . 15624 1 138 . 1 . 1 12 12 PHE HE2 H 1 7.365 0.02 . . . . . . . 12 PHE HE2 . 15624 1 139 . 1 . 1 12 12 PHE HZ H 1 7.218 0.02 . . . . . . . 12 PHE HZ . 15624 1 140 . 1 . 1 12 12 PHE C C 13 179.160 0.10 . . . . . . . 12 PHE C . 15624 1 141 . 1 . 1 12 12 PHE CA C 13 60.866 0.20 . . . . . . . 12 PHE CA . 15624 1 142 . 1 . 1 12 12 PHE CB C 13 38.514 0.20 . . . . . . . 12 PHE CB . 15624 1 143 . 1 . 1 12 12 PHE N N 15 118.965 0.10 . . . . . . . 12 PHE N . 15624 1 144 . 1 . 1 13 13 LYS H H 1 9.244 0.02 . . . . . . . 13 LYS H . 15624 1 145 . 1 . 1 13 13 LYS HA H 1 3.980 0.02 . . . . . . . 13 LYS HA . 15624 1 146 . 1 . 1 13 13 LYS HB2 H 1 1.958 0.02 . . . . . . . 13 LYS HB2 . 15624 1 147 . 1 . 1 13 13 LYS HB3 H 1 1.835 0.02 . . . . . . . 13 LYS HB3 . 15624 1 148 . 1 . 1 13 13 LYS HD2 H 1 1.310 0.02 . . . . . . . 13 LYS HD2 . 15624 1 149 . 1 . 1 13 13 LYS HD3 H 1 1.321 0.02 . . . . . . . 13 LYS HD3 . 15624 1 150 . 1 . 1 13 13 LYS HE2 H 1 2.542 0.02 . . . . . . . 13 LYS HE2 . 15624 1 151 . 1 . 1 13 13 LYS HE3 H 1 2.542 0.02 . . . . . . . 13 LYS HE3 . 15624 1 152 . 1 . 1 13 13 LYS HG2 H 1 1.115 0.02 . . . . . . . 13 LYS HG2 . 15624 1 153 . 1 . 1 13 13 LYS HG3 H 1 1.018 0.02 . . . . . . . 13 LYS HG3 . 15624 1 154 . 1 . 1 13 13 LYS C C 13 179.345 0.10 . . . . . . . 13 LYS C . 15624 1 155 . 1 . 1 13 13 LYS CA C 13 60.033 0.20 . . . . . . . 13 LYS CA . 15624 1 156 . 1 . 1 13 13 LYS CB C 13 31.473 0.20 . . . . . . . 13 LYS CB . 15624 1 157 . 1 . 1 13 13 LYS CD C 13 28.731 0.20 . . . . . . . 13 LYS CD . 15624 1 158 . 1 . 1 13 13 LYS CE C 13 41.805 0.20 . . . . . . . 13 LYS CE . 15624 1 159 . 1 . 1 13 13 LYS CG C 13 25.321 0.20 . . . . . . . 13 LYS CG . 15624 1 160 . 1 . 1 13 13 LYS N N 15 124.004 0.10 . . . . . . . 13 LYS N . 15624 1 161 . 1 . 1 14 14 GLU H H 1 8.006 0.02 . . . . . . . 14 GLU H . 15624 1 162 . 1 . 1 14 14 GLU HA H 1 4.200 0.02 . . . . . . . 14 GLU HA . 15624 1 163 . 1 . 1 14 14 GLU HB2 H 1 2.244 0.02 . . . . . . . 14 GLU HB2 . 15624 1 164 . 1 . 1 14 14 GLU HB3 H 1 2.169 0.02 . . . . . . . 14 GLU HB3 . 15624 1 165 . 1 . 1 14 14 GLU HG2 H 1 2.340 0.02 . . . . . . . 14 GLU HG2 . 15624 1 166 . 1 . 1 14 14 GLU HG3 H 1 2.383 0.02 . . . . . . . 14 GLU HG3 . 15624 1 167 . 1 . 1 14 14 GLU C C 13 179.847 0.10 . . . . . . . 14 GLU C . 15624 1 168 . 1 . 1 14 14 GLU CA C 13 59.464 0.20 . . . . . . . 14 GLU CA . 15624 1 169 . 1 . 1 14 14 GLU CB C 13 29.491 0.20 . . . . . . . 14 GLU CB . 15624 1 170 . 1 . 1 14 14 GLU CG C 13 36.483 0.20 . . . . . . . 14 GLU CG . 15624 1 171 . 1 . 1 14 14 GLU N N 15 119.492 0.10 . . . . . . . 14 GLU N . 15624 1 172 . 1 . 1 15 15 ALA H H 1 7.742 0.02 . . . . . . . 15 ALA H . 15624 1 173 . 1 . 1 15 15 ALA HA H 1 4.233 0.02 . . . . . . . 15 ALA HA . 15624 1 174 . 1 . 1 15 15 ALA HB1 H 1 1.921 0.02 . . . . . . . 15 ALA QB . 15624 1 175 . 1 . 1 15 15 ALA HB2 H 1 1.921 0.02 . . . . . . . 15 ALA QB . 15624 1 176 . 1 . 1 15 15 ALA HB3 H 1 1.921 0.02 . . . . . . . 15 ALA QB . 15624 1 177 . 1 . 1 15 15 ALA C C 13 177.792 0.10 . . . . . . . 15 ALA C . 15624 1 178 . 1 . 1 15 15 ALA CA C 13 55.398 0.20 . . . . . . . 15 ALA CA . 15624 1 179 . 1 . 1 15 15 ALA CB C 13 17.802 0.20 . . . . . . . 15 ALA CB . 15624 1 180 . 1 . 1 15 15 ALA N N 15 120.986 0.10 . . . . . . . 15 ALA N . 15624 1 181 . 1 . 1 16 16 PHE H H 1 8.646 0.02 . . . . . . . 16 PHE H . 15624 1 182 . 1 . 1 16 16 PHE HA H 1 3.384 0.02 . . . . . . . 16 PHE HA . 15624 1 183 . 1 . 1 16 16 PHE HB2 H 1 3.319 0.02 . . . . . . . 16 PHE HB2 . 15624 1 184 . 1 . 1 16 16 PHE HB3 H 1 2.891 0.02 . . . . . . . 16 PHE HB3 . 15624 1 185 . 1 . 1 16 16 PHE HD1 H 1 6.698 0.02 . . . . . . . 16 PHE HD1 . 15624 1 186 . 1 . 1 16 16 PHE HD2 H 1 6.698 0.02 . . . . . . . 16 PHE HD2 . 15624 1 187 . 1 . 1 16 16 PHE HE1 H 1 7.167 0.02 . . . . . . . 16 PHE HE1 . 15624 1 188 . 1 . 1 16 16 PHE HE2 H 1 7.167 0.02 . . . . . . . 16 PHE HE2 . 15624 1 189 . 1 . 1 16 16 PHE HZ H 1 7.377 0.02 . . . . . . . 16 PHE HZ . 15624 1 190 . 1 . 1 16 16 PHE C C 13 177.886 0.10 . . . . . . . 16 PHE C . 15624 1 191 . 1 . 1 16 16 PHE CA C 13 61.618 0.20 . . . . . . . 16 PHE CA . 15624 1 192 . 1 . 1 16 16 PHE CB C 13 39.770 0.20 . . . . . . . 16 PHE CB . 15624 1 193 . 1 . 1 16 16 PHE N N 15 119.052 0.10 . . . . . . . 16 PHE N . 15624 1 194 . 1 . 1 17 17 SER H H 1 8.200 0.02 . . . . . . . 17 SER H . 15624 1 195 . 1 . 1 17 17 SER HA H 1 4.053 0.02 . . . . . . . 17 SER HA . 15624 1 196 . 1 . 1 17 17 SER HB2 H 1 4.053 0.02 . . . . . . . 17 SER HB2 . 15624 1 197 . 1 . 1 17 17 SER HB3 H 1 4.053 0.02 . . . . . . . 17 SER HB3 . 15624 1 198 . 1 . 1 17 17 SER C C 13 177.921 0.10 . . . . . . . 17 SER C . 15624 1 199 . 1 . 1 17 17 SER CA C 13 61.495 0.20 . . . . . . . 17 SER CA . 15624 1 200 . 1 . 1 17 17 SER CB C 13 63.395 0.20 . . . . . . . 17 SER CB . 15624 1 201 . 1 . 1 17 17 SER N N 15 113.896 0.10 . . . . . . . 17 SER N . 15624 1 202 . 1 . 1 18 18 LEU H H 1 7.202 0.02 . . . . . . . 18 LEU H . 15624 1 203 . 1 . 1 18 18 LEU HA H 1 3.965 0.02 . . . . . . . 18 LEU HA . 15624 1 204 . 1 . 1 18 18 LEU HB2 H 1 1.673 0.02 . . . . . . . 18 LEU HB2 . 15624 1 205 . 1 . 1 18 18 LEU HB3 H 1 1.447 0.02 . . . . . . . 18 LEU HB3 . 15624 1 206 . 1 . 1 18 18 LEU HD11 H 1 0.742 0.02 . . . . . . . 18 LEU QD1 . 15624 1 207 . 1 . 1 18 18 LEU HD12 H 1 0.742 0.02 . . . . . . . 18 LEU QD1 . 15624 1 208 . 1 . 1 18 18 LEU HD13 H 1 0.742 0.02 . . . . . . . 18 LEU QD1 . 15624 1 209 . 1 . 1 18 18 LEU HD21 H 1 0.663 0.02 . . . . . . . 18 LEU QD2 . 15624 1 210 . 1 . 1 18 18 LEU HD22 H 1 0.663 0.02 . . . . . . . 18 LEU QD2 . 15624 1 211 . 1 . 1 18 18 LEU HD23 H 1 0.663 0.02 . . . . . . . 18 LEU QD2 . 15624 1 212 . 1 . 1 18 18 LEU HG H 1 1.134 0.02 . . . . . . . 18 LEU HG . 15624 1 213 . 1 . 1 18 18 LEU C C 13 176.139 0.10 . . . . . . . 18 LEU C . 15624 1 214 . 1 . 1 18 18 LEU CA C 13 57.380 0.20 . . . . . . . 18 LEU CA . 15624 1 215 . 1 . 1 18 18 LEU CB C 13 42.137 0.20 . . . . . . . 18 LEU CB . 15624 1 216 . 1 . 1 18 18 LEU CD1 C 13 23.407 0.20 . . . . . . . 18 LEU CD1 . 15624 1 217 . 1 . 1 18 18 LEU CD2 C 13 25.253 0.20 . . . . . . . 18 LEU CD2 . 15624 1 218 . 1 . 1 18 18 LEU CG C 13 25.573 0.20 . . . . . . . 18 LEU CG . 15624 1 219 . 1 . 1 18 18 LEU N N 15 120.605 0.10 . . . . . . . 18 LEU N . 15624 1 220 . 1 . 1 19 19 PHE H H 1 6.932 0.02 . . . . . . . 19 PHE H . 15624 1 221 . 1 . 1 19 19 PHE HA H 1 4.183 0.02 . . . . . . . 19 PHE HA . 15624 1 222 . 1 . 1 19 19 PHE HB2 H 1 2.709 0.02 . . . . . . . 19 PHE HB2 . 15624 1 223 . 1 . 1 19 19 PHE HB3 H 1 2.565 0.02 . . . . . . . 19 PHE HB3 . 15624 1 224 . 1 . 1 19 19 PHE C C 13 176.097 0.10 . . . . . . . 19 PHE C . 15624 1 225 . 1 . 1 19 19 PHE CA C 13 58.743 0.20 . . . . . . . 19 PHE CA . 15624 1 226 . 1 . 1 19 19 PHE CB C 13 41.727 0.20 . . . . . . . 19 PHE CB . 15624 1 227 . 1 . 1 19 19 PHE N N 15 112.518 0.10 . . . . . . . 19 PHE N . 15624 1 228 . 1 . 1 20 20 ASP H H 1 7.425 0.02 . . . . . . . 20 ASP H . 15624 1 229 . 1 . 1 20 20 ASP HA H 1 4.591 0.02 . . . . . . . 20 ASP HA . 15624 1 230 . 1 . 1 20 20 ASP HB2 H 1 2.255 0.02 . . . . . . . 20 ASP HB2 . 15624 1 231 . 1 . 1 20 20 ASP HB3 H 1 1.472 0.02 . . . . . . . 20 ASP HB3 . 15624 1 232 . 1 . 1 20 20 ASP C C 13 177.124 0.10 . . . . . . . 20 ASP C . 15624 1 233 . 1 . 1 20 20 ASP CA C 13 52.253 0.20 . . . . . . . 20 ASP CA . 15624 1 234 . 1 . 1 20 20 ASP CB C 13 39.402 0.20 . . . . . . . 20 ASP CB . 15624 1 235 . 1 . 1 20 20 ASP N N 15 116.035 0.10 . . . . . . . 20 ASP N . 15624 1 236 . 1 . 1 21 21 LYS H H 1 7.654 0.02 . . . . . . . 21 LYS H . 15624 1 237 . 1 . 1 21 21 LYS HA H 1 3.956 0.02 . . . . . . . 21 LYS HA . 15624 1 238 . 1 . 1 21 21 LYS HB2 H 1 1.887 0.02 . . . . . . . 21 LYS HB2 . 15624 1 239 . 1 . 1 21 21 LYS HB3 H 1 1.835 0.02 . . . . . . . 21 LYS HB3 . 15624 1 240 . 1 . 1 21 21 LYS HD2 H 1 1.688 0.02 . . . . . . . 21 LYS HD2 . 15624 1 241 . 1 . 1 21 21 LYS HD3 H 1 1.688 0.02 . . . . . . . 21 LYS HD3 . 15624 1 242 . 1 . 1 21 21 LYS HE2 H 1 2.975 0.02 . . . . . . . 21 LYS HE2 . 15624 1 243 . 1 . 1 21 21 LYS HE3 H 1 2.859 0.02 . . . . . . . 21 LYS HE3 . 15624 1 244 . 1 . 1 21 21 LYS HG2 H 1 1.551 0.02 . . . . . . . 21 LYS HG2 . 15624 1 245 . 1 . 1 21 21 LYS HG3 H 1 1.532 0.02 . . . . . . . 21 LYS HG3 . 15624 1 246 . 1 . 1 21 21 LYS C C 13 178.404 0.10 . . . . . . . 21 LYS C . 15624 1 247 . 1 . 1 21 21 LYS CA C 13 58.134 0.20 . . . . . . . 21 LYS CA . 15624 1 248 . 1 . 1 21 21 LYS CB C 13 32.567 0.20 . . . . . . . 21 LYS CB . 15624 1 249 . 1 . 1 21 21 LYS CD C 13 28.261 0.20 . . . . . . . 21 LYS CD . 15624 1 250 . 1 . 1 21 21 LYS CE C 13 42.137 0.20 . . . . . . . 21 LYS CE . 15624 1 251 . 1 . 1 21 21 LYS CG C 13 24.091 0.20 . . . . . . . 21 LYS CG . 15624 1 252 . 1 . 1 21 21 LYS N N 15 124.063 0.10 . . . . . . . 21 LYS N . 15624 1 253 . 1 . 1 22 22 ASP H H 1 8.161 0.02 . . . . . . . 22 ASP H . 15624 1 254 . 1 . 1 22 22 ASP HA H 1 4.580 0.02 . . . . . . . 22 ASP HA . 15624 1 255 . 1 . 1 22 22 ASP HB2 H 1 3.091 0.02 . . . . . . . 22 ASP HB2 . 15624 1 256 . 1 . 1 22 22 ASP HB3 H 1 2.657 0.02 . . . . . . . 22 ASP HB3 . 15624 1 257 . 1 . 1 22 22 ASP C C 13 177.848 0.10 . . . . . . . 22 ASP C . 15624 1 258 . 1 . 1 22 22 ASP CA C 13 52.868 0.20 . . . . . . . 22 ASP CA . 15624 1 259 . 1 . 1 22 22 ASP CB C 13 39.744 0.20 . . . . . . . 22 ASP CB . 15624 1 260 . 1 . 1 22 22 ASP N N 15 114.112 0.10 . . . . . . . 22 ASP N . 15624 1 261 . 1 . 1 23 23 GLY H H 1 7.625 0.02 . . . . . . . 23 GLY H . 15624 1 262 . 1 . 1 23 23 GLY HA2 H 1 3.901 0.02 . . . . . . . 23 GLY HA2 . 15624 1 263 . 1 . 1 23 23 GLY HA3 H 1 3.886 0.02 . . . . . . . 23 GLY HA3 . 15624 1 264 . 1 . 1 23 23 GLY C C 13 175.335 0.10 . . . . . . . 23 GLY C . 15624 1 265 . 1 . 1 23 23 GLY CA C 13 47.195 0.20 . . . . . . . 23 GLY CA . 15624 1 266 . 1 . 1 23 23 GLY N N 15 109.207 0.10 . . . . . . . 23 GLY N . 15624 1 267 . 1 . 1 24 24 ASP H H 1 8.470 0.02 . . . . . . . 24 ASP H . 15624 1 268 . 1 . 1 24 24 ASP HA H 1 4.516 0.02 . . . . . . . 24 ASP HA . 15624 1 269 . 1 . 1 24 24 ASP HB2 H 1 3.077 0.02 . . . . . . . 24 ASP HB2 . 15624 1 270 . 1 . 1 24 24 ASP HB3 H 1 2.478 0.02 . . . . . . . 24 ASP HB3 . 15624 1 271 . 1 . 1 24 24 ASP C C 13 177.556 0.10 . . . . . . . 24 ASP C . 15624 1 272 . 1 . 1 24 24 ASP CB C 13 40.291 0.20 . . . . . . . 24 ASP CB . 15624 1 273 . 1 . 1 24 24 ASP N N 15 120.957 0.10 . . . . . . . 24 ASP N . 15624 1 274 . 1 . 1 25 25 GLY H H 1 10.505 0.02 . . . . . . . 25 GLY H . 15624 1 275 . 1 . 1 25 25 GLY HA2 H 1 4.414 0.02 . . . . . . . 25 GLY HA2 . 15624 1 276 . 1 . 1 25 25 GLY HA3 H 1 3.727 0.02 . . . . . . . 25 GLY HA3 . 15624 1 277 . 1 . 1 25 25 GLY C C 13 174.025 0.10 . . . . . . . 25 GLY C . 15624 1 278 . 1 . 1 25 25 GLY CA C 13 45.486 0.20 . . . . . . . 25 GLY CA . 15624 1 279 . 1 . 1 25 25 GLY N N 15 112.724 0.10 . . . . . . . 25 GLY N . 15624 1 280 . 1 . 1 26 26 THR H H 1 8.235 0.02 . . . . . . . 26 THR H . 15624 1 281 . 1 . 1 26 26 THR HA H 1 5.416 0.02 . . . . . . . 26 THR HA . 15624 1 282 . 1 . 1 26 26 THR HB H 1 3.864 0.02 . . . . . . . 26 THR HB . 15624 1 283 . 1 . 1 26 26 THR HG21 H 1 1.072 0.02 . . . . . . . 26 THR QG2 . 15624 1 284 . 1 . 1 26 26 THR HG22 H 1 1.072 0.02 . . . . . . . 26 THR QG2 . 15624 1 285 . 1 . 1 26 26 THR HG23 H 1 1.072 0.02 . . . . . . . 26 THR QG2 . 15624 1 286 . 1 . 1 26 26 THR C C 13 173.425 0.10 . . . . . . . 26 THR C . 15624 1 287 . 1 . 1 26 26 THR CA C 13 59.772 0.20 . . . . . . . 26 THR CA . 15624 1 288 . 1 . 1 26 26 THR CB C 13 72.760 0.20 . . . . . . . 26 THR CB . 15624 1 289 . 1 . 1 26 26 THR CG2 C 13 21.972 0.20 . . . . . . . 26 THR CG2 . 15624 1 290 . 1 . 1 26 26 THR N N 15 112.518 0.10 . . . . . . . 26 THR N . 15624 1 291 . 1 . 1 27 27 ILE H H 1 9.807 0.02 . . . . . . . 27 ILE H . 15624 1 292 . 1 . 1 27 27 ILE HA H 1 4.776 0.02 . . . . . . . 27 ILE HA . 15624 1 293 . 1 . 1 27 27 ILE HB H 1 1.763 0.02 . . . . . . . 27 ILE HB . 15624 1 294 . 1 . 1 27 27 ILE HD11 H 1 0.242 0.02 . . . . . . . 27 ILE QD1 . 15624 1 295 . 1 . 1 27 27 ILE HD12 H 1 0.242 0.02 . . . . . . . 27 ILE QD1 . 15624 1 296 . 1 . 1 27 27 ILE HD13 H 1 0.242 0.02 . . . . . . . 27 ILE QD1 . 15624 1 297 . 1 . 1 27 27 ILE HG12 H 1 1.284 0.02 . . . . . . . 27 ILE HG12 . 15624 1 298 . 1 . 1 27 27 ILE HG13 H 1 1.284 0.02 . . . . . . . 27 ILE HG13 . 15624 1 299 . 1 . 1 27 27 ILE HG21 H 1 0.891 0.02 . . . . . . . 27 ILE QG2 . 15624 1 300 . 1 . 1 27 27 ILE HG22 H 1 0.891 0.02 . . . . . . . 27 ILE QG2 . 15624 1 301 . 1 . 1 27 27 ILE HG23 H 1 0.891 0.02 . . . . . . . 27 ILE QG2 . 15624 1 302 . 1 . 1 27 27 ILE C C 13 176.223 0.10 . . . . . . . 27 ILE C . 15624 1 303 . 1 . 1 27 27 ILE CA C 13 60.798 0.20 . . . . . . . 27 ILE CA . 15624 1 304 . 1 . 1 27 27 ILE CB C 13 39.744 0.20 . . . . . . . 27 ILE CB . 15624 1 305 . 1 . 1 27 27 ILE CD1 C 13 14.863 0.20 . . . . . . . 27 ILE CD1 . 15624 1 306 . 1 . 1 27 27 ILE CG1 C 13 26.462 0.20 . . . . . . . 27 ILE CG1 . 15624 1 307 . 1 . 1 27 27 ILE CG2 C 13 17.529 0.20 . . . . . . . 27 ILE CG2 . 15624 1 308 . 1 . 1 27 27 ILE N N 15 126.905 0.10 . . . . . . . 27 ILE N . 15624 1 309 . 1 . 1 28 28 THR H H 1 8.475 0.02 . . . . . . . 28 THR H . 15624 1 310 . 1 . 1 28 28 THR HA H 1 4.892 0.02 . . . . . . . 28 THR HA . 15624 1 311 . 1 . 1 28 28 THR HB H 1 4.893 0.02 . . . . . . . 28 THR HB . 15624 1 312 . 1 . 1 28 28 THR HG21 H 1 1.305 0.02 . . . . . . . 28 THR QG2 . 15624 1 313 . 1 . 1 28 28 THR HG22 H 1 1.305 0.02 . . . . . . . 28 THR QG2 . 15624 1 314 . 1 . 1 28 28 THR HG23 H 1 1.305 0.02 . . . . . . . 28 THR QG2 . 15624 1 315 . 1 . 1 28 28 THR C C 13 176.943 0.10 . . . . . . . 28 THR C . 15624 1 316 . 1 . 1 28 28 THR CA C 13 59.499 0.20 . . . . . . . 28 THR CA . 15624 1 317 . 1 . 1 28 28 THR CB C 13 72.623 0.20 . . . . . . . 28 THR CB . 15624 1 318 . 1 . 1 28 28 THR CG2 C 13 21.980 0.20 . . . . . . . 28 THR CG2 . 15624 1 319 . 1 . 1 28 28 THR N N 15 116.562 0.10 . . . . . . . 28 THR N . 15624 1 320 . 1 . 1 29 29 THR H H 1 9.203 0.02 . . . . . . . 29 THR H . 15624 1 321 . 1 . 1 29 29 THR HA H 1 3.800 0.02 . . . . . . . 29 THR HA . 15624 1 322 . 1 . 1 29 29 THR HB H 1 4.227 0.02 . . . . . . . 29 THR HB . 15624 1 323 . 1 . 1 29 29 THR HG21 H 1 1.310 0.02 . . . . . . . 29 THR QG2 . 15624 1 324 . 1 . 1 29 29 THR HG22 H 1 1.310 0.02 . . . . . . . 29 THR QG2 . 15624 1 325 . 1 . 1 29 29 THR HG23 H 1 1.310 0.02 . . . . . . . 29 THR QG2 . 15624 1 326 . 1 . 1 29 29 THR C C 13 177.504 0.10 . . . . . . . 29 THR C . 15624 1 327 . 1 . 1 29 29 THR CA C 13 66.334 0.20 . . . . . . . 29 THR CA . 15624 1 328 . 1 . 1 29 29 THR CB C 13 67.838 0.20 . . . . . . . 29 THR CB . 15624 1 329 . 1 . 1 29 29 THR CG2 C 13 23.476 0.20 . . . . . . . 29 THR CG2 . 15624 1 330 . 1 . 1 29 29 THR N N 15 112.489 0.10 . . . . . . . 29 THR N . 15624 1 331 . 1 . 1 30 30 LYS H H 1 7.595 0.02 . . . . . . . 30 LYS H . 15624 1 332 . 1 . 1 30 30 LYS HA H 1 4.128 0.02 . . . . . . . 30 LYS HA . 15624 1 333 . 1 . 1 30 30 LYS HB2 H 1 1.851 0.02 . . . . . . . 30 LYS HB2 . 15624 1 334 . 1 . 1 30 30 LYS HB3 H 1 1.825 0.02 . . . . . . . 30 LYS HB3 . 15624 1 335 . 1 . 1 30 30 LYS HD2 H 1 1.682 0.02 . . . . . . . 30 LYS HD2 . 15624 1 336 . 1 . 1 30 30 LYS HD3 H 1 1.723 0.02 . . . . . . . 30 LYS HD3 . 15624 1 337 . 1 . 1 30 30 LYS HE2 H 1 3.004 0.02 . . . . . . . 30 LYS HE2 . 15624 1 338 . 1 . 1 30 30 LYS HE3 H 1 3.004 0.02 . . . . . . . 30 LYS HE3 . 15624 1 339 . 1 . 1 30 30 LYS HG2 H 1 1.520 0.02 . . . . . . . 30 LYS HG2 . 15624 1 340 . 1 . 1 30 30 LYS HG3 H 1 1.423 0.02 . . . . . . . 30 LYS HG3 . 15624 1 341 . 1 . 1 30 30 LYS C C 13 180.078 0.10 . . . . . . . 30 LYS C . 15624 1 342 . 1 . 1 30 30 LYS CA C 13 59.225 0.20 . . . . . . . 30 LYS CA . 15624 1 343 . 1 . 1 30 30 LYS CB C 13 32.499 0.20 . . . . . . . 30 LYS CB . 15624 1 344 . 1 . 1 30 30 LYS CD C 13 29.146 0.20 . . . . . . . 30 LYS CD . 15624 1 345 . 1 . 1 30 30 LYS CE C 13 42.205 0.20 . . . . . . . 30 LYS CE . 15624 1 346 . 1 . 1 30 30 LYS CG C 13 24.843 0.20 . . . . . . . 30 LYS CG . 15624 1 347 . 1 . 1 30 30 LYS N N 15 121.104 0.10 . . . . . . . 30 LYS N . 15624 1 348 . 1 . 1 31 31 GLU H H 1 7.689 0.02 . . . . . . . 31 GLU H . 15624 1 349 . 1 . 1 31 31 GLU HA H 1 3.985 0.02 . . . . . . . 31 GLU HA . 15624 1 350 . 1 . 1 31 31 GLU HB2 H 1 2.883 0.02 . . . . . . . 31 GLU HB2 . 15624 1 351 . 1 . 1 31 31 GLU HB3 H 1 2.333 0.02 . . . . . . . 31 GLU HB3 . 15624 1 352 . 1 . 1 31 31 GLU HG2 H 1 2.504 0.02 . . . . . . . 31 GLU HG2 . 15624 1 353 . 1 . 1 31 31 GLU HG3 H 1 2.621 0.02 . . . . . . . 31 GLU HG3 . 15624 1 354 . 1 . 1 31 31 GLU C C 13 179.141 0.10 . . . . . . . 31 GLU C . 15624 1 355 . 1 . 1 31 31 GLU CA C 13 59.669 0.20 . . . . . . . 31 GLU CA . 15624 1 356 . 1 . 1 31 31 GLU CB C 13 29.459 0.20 . . . . . . . 31 GLU CB . 15624 1 357 . 1 . 1 31 31 GLU CG C 13 38.481 0.20 . . . . . . . 31 GLU CG . 15624 1 358 . 1 . 1 31 31 GLU N N 15 122.070 0.10 . . . . . . . 31 GLU N . 15624 1 359 . 1 . 1 32 32 LEU H H 1 8.610 0.02 . . . . . . . 32 LEU H . 15624 1 360 . 1 . 1 32 32 LEU HA H 1 4.160 0.02 . . . . . . . 32 LEU HA . 15624 1 361 . 1 . 1 32 32 LEU HB2 H 1 1.860 0.02 . . . . . . . 32 LEU HB2 . 15624 1 362 . 1 . 1 32 32 LEU HB3 H 1 1.532 0.02 . . . . . . . 32 LEU HB3 . 15624 1 363 . 1 . 1 32 32 LEU HD11 H 1 0.878 0.02 . . . . . . . 32 LEU QD1 . 15624 1 364 . 1 . 1 32 32 LEU HD12 H 1 0.878 0.02 . . . . . . . 32 LEU QD1 . 15624 1 365 . 1 . 1 32 32 LEU HD13 H 1 0.878 0.02 . . . . . . . 32 LEU QD1 . 15624 1 366 . 1 . 1 32 32 LEU HD21 H 1 0.823 0.02 . . . . . . . 32 LEU QD2 . 15624 1 367 . 1 . 1 32 32 LEU HD22 H 1 0.823 0.02 . . . . . . . 32 LEU QD2 . 15624 1 368 . 1 . 1 32 32 LEU HD23 H 1 0.823 0.02 . . . . . . . 32 LEU QD2 . 15624 1 369 . 1 . 1 32 32 LEU HG H 1 1.715 0.02 . . . . . . . 32 LEU HG . 15624 1 370 . 1 . 1 32 32 LEU C C 13 179.341 0.10 . . . . . . . 32 LEU C . 15624 1 371 . 1 . 1 32 32 LEU CA C 13 58.474 0.20 . . . . . . . 32 LEU CA . 15624 1 372 . 1 . 1 32 32 LEU CB C 13 42.547 0.20 . . . . . . . 32 LEU CB . 15624 1 373 . 1 . 1 32 32 LEU CD1 C 13 23.749 0.20 . . . . . . . 32 LEU CD1 . 15624 1 374 . 1 . 1 32 32 LEU CG C 13 26.175 0.20 . . . . . . . 32 LEU CG . 15624 1 375 . 1 . 1 32 32 LEU N N 15 119.785 0.10 . . . . . . . 32 LEU N . 15624 1 376 . 1 . 1 33 33 GLY H H 1 8.786 0.02 . . . . . . . 33 GLY H . 15624 1 377 . 1 . 1 33 33 GLY HA2 H 1 3.968 0.02 . . . . . . . 33 GLY HA2 . 15624 1 378 . 1 . 1 33 33 GLY HA3 H 1 3.525 0.02 . . . . . . . 33 GLY HA3 . 15624 1 379 . 1 . 1 33 33 GLY C C 13 175.151 0.10 . . . . . . . 33 GLY C . 15624 1 380 . 1 . 1 33 33 GLY CA C 13 48.562 0.20 . . . . . . . 33 GLY CA . 15624 1 381 . 1 . 1 33 33 GLY N N 15 105.721 0.10 . . . . . . . 33 GLY N . 15624 1 382 . 1 . 1 34 34 THR H H 1 8.053 0.02 . . . . . . . 34 THR H . 15624 1 383 . 1 . 1 34 34 THR HA H 1 3.959 0.02 . . . . . . . 34 THR HA . 15624 1 384 . 1 . 1 34 34 THR HB H 1 4.416 0.02 . . . . . . . 34 THR HB . 15624 1 385 . 1 . 1 34 34 THR HG21 H 1 1.299 0.02 . . . . . . . 34 THR QG2 . 15624 1 386 . 1 . 1 34 34 THR HG22 H 1 1.299 0.02 . . . . . . . 34 THR QG2 . 15624 1 387 . 1 . 1 34 34 THR HG23 H 1 1.299 0.02 . . . . . . . 34 THR QG2 . 15624 1 388 . 1 . 1 34 34 THR C C 13 177.339 0.10 . . . . . . . 34 THR C . 15624 1 389 . 1 . 1 34 34 THR CA C 13 67.086 0.20 . . . . . . . 34 THR CA . 15624 1 390 . 1 . 1 34 34 THR CB C 13 68.795 0.20 . . . . . . . 34 THR CB . 15624 1 391 . 1 . 1 34 34 THR CG2 C 13 21.425 0.20 . . . . . . . 34 THR CG2 . 15624 1 392 . 1 . 1 34 34 THR N N 15 118.496 0.10 . . . . . . . 34 THR N . 15624 1 393 . 1 . 1 35 35 VAL H H 1 7.748 0.02 . . . . . . . 35 VAL H . 15624 1 394 . 1 . 1 35 35 VAL HA H 1 3.667 0.02 . . . . . . . 35 VAL HA . 15624 1 395 . 1 . 1 35 35 VAL HB H 1 2.114 0.02 . . . . . . . 35 VAL HB . 15624 1 396 . 1 . 1 35 35 VAL HG11 H 1 0.928 0.02 . . . . . . . 35 VAL QG1 . 15624 1 397 . 1 . 1 35 35 VAL HG12 H 1 0.928 0.02 . . . . . . . 35 VAL QG1 . 15624 1 398 . 1 . 1 35 35 VAL HG13 H 1 0.928 0.02 . . . . . . . 35 VAL QG1 . 15624 1 399 . 1 . 1 35 35 VAL HG21 H 1 0.605 0.02 . . . . . . . 35 VAL QG2 . 15624 1 400 . 1 . 1 35 35 VAL HG22 H 1 0.605 0.02 . . . . . . . 35 VAL QG2 . 15624 1 401 . 1 . 1 35 35 VAL HG23 H 1 0.605 0.02 . . . . . . . 35 VAL QG2 . 15624 1 402 . 1 . 1 35 35 VAL C C 13 179.118 0.10 . . . . . . . 35 VAL C . 15624 1 403 . 1 . 1 35 35 VAL CA C 13 66.608 0.20 . . . . . . . 35 VAL CA . 15624 1 404 . 1 . 1 35 35 VAL CB C 13 31.609 0.20 . . . . . . . 35 VAL CB . 15624 1 405 . 1 . 1 35 35 VAL CG1 C 13 23.339 0.20 . . . . . . . 35 VAL CG1 . 15624 1 406 . 1 . 1 35 35 VAL CG2 C 13 20.673 0.20 . . . . . . . 35 VAL CG2 . 15624 1 407 . 1 . 1 35 35 VAL N N 15 121.865 0.10 . . . . . . . 35 VAL N . 15624 1 408 . 1 . 1 36 36 MET H H 1 8.434 0.02 . . . . . . . 36 MET H . 15624 1 409 . 1 . 1 36 36 MET HA H 1 4.087 0.02 . . . . . . . 36 MET HA . 15624 1 410 . 1 . 1 36 36 MET HB2 H 1 2.053 0.02 . . . . . . . 36 MET HB2 . 15624 1 411 . 1 . 1 36 36 MET HB3 H 1 1.720 0.02 . . . . . . . 36 MET HB3 . 15624 1 412 . 1 . 1 36 36 MET HE1 H 1 2.052 0.02 . . . . . . . 36 MET QE . 15624 1 413 . 1 . 1 36 36 MET HE2 H 1 2.052 0.02 . . . . . . . 36 MET QE . 15624 1 414 . 1 . 1 36 36 MET HE3 H 1 2.052 0.02 . . . . . . . 36 MET QE . 15624 1 415 . 1 . 1 36 36 MET HG2 H 1 2.696 0.02 . . . . . . . 36 MET HG2 . 15624 1 416 . 1 . 1 36 36 MET HG3 H 1 2.432 0.02 . . . . . . . 36 MET HG3 . 15624 1 417 . 1 . 1 36 36 MET C C 13 179.288 0.10 . . . . . . . 36 MET C . 15624 1 418 . 1 . 1 36 36 MET CA C 13 58.508 0.20 . . . . . . . 36 MET CA . 15624 1 419 . 1 . 1 36 36 MET CB C 13 30.770 0.20 . . . . . . . 36 MET CB . 15624 1 420 . 1 . 1 36 36 MET CE C 13 16.917 0.20 . . . . . . . 36 MET CE . 15624 1 421 . 1 . 1 36 36 MET CG C 13 32.840 0.20 . . . . . . . 36 MET CG . 15624 1 422 . 1 . 1 36 36 MET N N 15 117.294 0.10 . . . . . . . 36 MET N . 15624 1 423 . 1 . 1 37 37 ARG H H 1 8.675 0.02 . . . . . . . 37 ARG H . 15624 1 424 . 1 . 1 37 37 ARG HA H 1 4.778 0.02 . . . . . . . 37 ARG HA . 15624 1 425 . 1 . 1 37 37 ARG HB2 H 1 1.952 0.02 . . . . . . . 37 ARG HB2 . 15624 1 426 . 1 . 1 37 37 ARG HB3 H 1 1.915 0.02 . . . . . . . 37 ARG HB3 . 15624 1 427 . 1 . 1 37 37 ARG HD2 H 1 3.123 0.02 . . . . . . . 37 ARG HD2 . 15624 1 428 . 1 . 1 37 37 ARG HD3 H 1 3.294 0.02 . . . . . . . 37 ARG HD3 . 15624 1 429 . 1 . 1 37 37 ARG HE H 1 7.399 0.02 . . . . . . . 37 ARG HE . 15624 1 430 . 1 . 1 37 37 ARG HG2 H 1 1.887 0.02 . . . . . . . 37 ARG HG2 . 15624 1 431 . 1 . 1 37 37 ARG HG3 H 1 1.831 0.02 . . . . . . . 37 ARG HG3 . 15624 1 432 . 1 . 1 37 37 ARG C C 13 181.830 0.10 . . . . . . . 37 ARG C . 15624 1 433 . 1 . 1 37 37 ARG CA C 13 59.225 0.20 . . . . . . . 37 ARG CA . 15624 1 434 . 1 . 1 37 37 ARG CB C 13 29.901 0.20 . . . . . . . 37 ARG CB . 15624 1 435 . 1 . 1 37 37 ARG CD C 13 43.709 0.20 . . . . . . . 37 ARG CD . 15624 1 436 . 1 . 1 37 37 ARG CG C 13 29.543 0.20 . . . . . . . 37 ARG CG . 15624 1 437 . 1 . 1 37 37 ARG N N 15 119.052 0.10 . . . . . . . 37 ARG N . 15624 1 438 . 1 . 1 37 37 ARG NE N 15 115.262 0.10 . . . . . . . 37 ARG NE . 15624 1 439 . 1 . 1 38 38 SER H H 1 7.983 0.02 . . . . . . . 38 SER H . 15624 1 440 . 1 . 1 38 38 SER HA H 1 4.359 0.02 . . . . . . . 38 SER HA . 15624 1 441 . 1 . 1 38 38 SER HB2 H 1 4.098 0.02 . . . . . . . 38 SER HB2 . 15624 1 442 . 1 . 1 38 38 SER HB3 H 1 3.977 0.02 . . . . . . . 38 SER HB3 . 15624 1 443 . 1 . 1 38 38 SER C C 13 178.113 0.10 . . . . . . . 38 SER C . 15624 1 444 . 1 . 1 38 38 SER CA C 13 62.096 0.20 . . . . . . . 38 SER CA . 15624 1 445 . 1 . 1 38 38 SER CB C 13 62.743 0.20 . . . . . . . 38 SER CB . 15624 1 446 . 1 . 1 38 38 SER N N 15 119.111 0.10 . . . . . . . 38 SER N . 15624 1 447 . 1 . 1 39 39 LEU H H 1 7.314 0.02 . . . . . . . 39 LEU H . 15624 1 448 . 1 . 1 39 39 LEU HA H 1 4.384 0.02 . . . . . . . 39 LEU HA . 15624 1 449 . 1 . 1 39 39 LEU HB2 H 1 1.886 0.02 . . . . . . . 39 LEU HB2 . 15624 1 450 . 1 . 1 39 39 LEU HB3 H 1 1.745 0.02 . . . . . . . 39 LEU HB3 . 15624 1 451 . 1 . 1 39 39 LEU HD11 H 1 0.865 0.02 . . . . . . . 39 LEU QD1 . 15624 1 452 . 1 . 1 39 39 LEU HD12 H 1 0.865 0.02 . . . . . . . 39 LEU QD1 . 15624 1 453 . 1 . 1 39 39 LEU HD13 H 1 0.865 0.02 . . . . . . . 39 LEU QD1 . 15624 1 454 . 1 . 1 39 39 LEU HD21 H 1 0.789 0.02 . . . . . . . 39 LEU QD2 . 15624 1 455 . 1 . 1 39 39 LEU HD22 H 1 0.789 0.02 . . . . . . . 39 LEU QD2 . 15624 1 456 . 1 . 1 39 39 LEU HD23 H 1 0.789 0.02 . . . . . . . 39 LEU QD2 . 15624 1 457 . 1 . 1 39 39 LEU HG H 1 1.892 0.02 . . . . . . . 39 LEU HG . 15624 1 458 . 1 . 1 39 39 LEU C C 13 177.376 0.10 . . . . . . . 39 LEU C . 15624 1 459 . 1 . 1 39 39 LEU CA C 13 54.341 0.20 . . . . . . . 39 LEU CA . 15624 1 460 . 1 . 1 39 39 LEU CB C 13 41.521 0.20 . . . . . . . 39 LEU CB . 15624 1 461 . 1 . 1 39 39 LEU CD1 C 13 25.731 0.20 . . . . . . . 39 LEU CD1 . 15624 1 462 . 1 . 1 39 39 LEU CD2 C 13 23.134 0.20 . . . . . . . 39 LEU CD2 . 15624 1 463 . 1 . 1 39 39 LEU CG C 13 26.347 0.20 . . . . . . . 39 LEU CG . 15624 1 464 . 1 . 1 39 39 LEU N N 15 119.463 0.10 . . . . . . . 39 LEU N . 15624 1 465 . 1 . 1 40 40 GLY H H 1 7.871 0.02 . . . . . . . 40 GLY H . 15624 1 466 . 1 . 1 40 40 GLY HA2 H 1 4.268 0.02 . . . . . . . 40 GLY HA2 . 15624 1 467 . 1 . 1 40 40 GLY HA3 H 1 3.812 0.02 . . . . . . . 40 GLY HA3 . 15624 1 468 . 1 . 1 40 40 GLY C C 13 174.401 0.10 . . . . . . . 40 GLY C . 15624 1 469 . 1 . 1 40 40 GLY CA C 13 45.623 0.20 . . . . . . . 40 GLY CA . 15624 1 470 . 1 . 1 40 40 GLY N N 15 106.893 0.10 . . . . . . . 40 GLY N . 15624 1 471 . 1 . 1 41 41 GLN H H 1 7.854 0.02 . . . . . . . 41 GLN H . 15624 1 472 . 1 . 1 41 41 GLN HA H 1 4.519 0.02 . . . . . . . 41 GLN HA . 15624 1 473 . 1 . 1 41 41 GLN HB2 H 1 2.002 0.02 . . . . . . . 41 GLN HB2 . 15624 1 474 . 1 . 1 41 41 GLN HB3 H 1 1.549 0.02 . . . . . . . 41 GLN HB3 . 15624 1 475 . 1 . 1 41 41 GLN HE21 H 1 7.452 0.02 . . . . . . . 41 GLN HE21 . 15624 1 476 . 1 . 1 41 41 GLN HE22 H 1 6.798 0.02 . . . . . . . 41 GLN HE22 . 15624 1 477 . 1 . 1 41 41 GLN HG2 H 1 2.181 0.02 . . . . . . . 41 GLN HG2 . 15624 1 478 . 1 . 1 41 41 GLN HG3 H 1 2.157 0.02 . . . . . . . 41 GLN HG3 . 15624 1 479 . 1 . 1 41 41 GLN C C 13 174.340 0.10 . . . . . . . 41 GLN C . 15624 1 480 . 1 . 1 41 41 GLN CA C 13 54.032 0.20 . . . . . . . 41 GLN CA . 15624 1 481 . 1 . 1 41 41 GLN CB C 13 30.380 0.20 . . . . . . . 41 GLN CB . 15624 1 482 . 1 . 1 41 41 GLN CD C 13 178.329 0.20 . . . . . . . 41 GLN CD . 15624 1 483 . 1 . 1 41 41 GLN CG C 13 33.524 0.20 . . . . . . . 41 GLN CG . 15624 1 484 . 1 . 1 41 41 GLN N N 15 118.320 0.10 . . . . . . . 41 GLN N . 15624 1 485 . 1 . 1 41 41 GLN NE2 N 15 111.409 0.10 . . . . . . . 41 GLN NE2 . 15624 1 486 . 1 . 1 42 42 ASN H H 1 8.593 0.02 . . . . . . . 42 ASN H . 15624 1 487 . 1 . 1 42 42 ASN HA H 1 4.579 0.02 . . . . . . . 42 ASN HA . 15624 1 488 . 1 . 1 42 42 ASN HB2 H 1 2.694 0.02 . . . . . . . 42 ASN HB2 . 15624 1 489 . 1 . 1 42 42 ASN HD21 H 1 7.400 0.02 . . . . . . . 42 ASN HD21 . 15624 1 490 . 1 . 1 42 42 ASN HD22 H 1 6.708 0.02 . . . . . . . 42 ASN HD22 . 15624 1 491 . 1 . 1 42 42 ASN C C 13 172.282 0.10 . . . . . . . 42 ASN C . 15624 1 492 . 1 . 1 42 42 ASN CA C 13 51.296 0.20 . . . . . . . 42 ASN CA . 15624 1 493 . 1 . 1 42 42 ASN CB C 13 39.165 0.20 . . . . . . . 42 ASN CB . 15624 1 494 . 1 . 1 42 42 ASN CG C 13 178.294 0.20 . . . . . . . 42 ASN CG . 15624 1 495 . 1 . 1 42 42 ASN N N 15 116.474 0.10 . . . . . . . 42 ASN N . 15624 1 496 . 1 . 1 43 43 PRO HA H 1 4.815 0.02 . . . . . . . 43 PRO HA . 15624 1 497 . 1 . 1 43 43 PRO HB2 H 1 1.847 0.02 . . . . . . . 43 PRO HB2 . 15624 1 498 . 1 . 1 43 43 PRO HD2 H 1 3.518 0.02 . . . . . . . 43 PRO HD2 . 15624 1 499 . 1 . 1 43 43 PRO HD3 H 1 3.070 0.02 . . . . . . . 43 PRO HD3 . 15624 1 500 . 1 . 1 43 43 PRO HG2 H 1 1.793 0.02 . . . . . . . 43 PRO HG2 . 15624 1 501 . 1 . 1 43 43 PRO HG3 H 1 1.510 0.02 . . . . . . . 43 PRO HG3 . 15624 1 502 . 1 . 1 43 43 PRO C C 13 177.641 0.10 . . . . . . . 43 PRO C . 15624 1 503 . 1 . 1 43 43 PRO CA C 13 62.165 0.20 . . . . . . . 43 PRO CA . 15624 1 504 . 1 . 1 43 43 PRO CB C 13 31.813 0.20 . . . . . . . 43 PRO CB . 15624 1 505 . 1 . 1 43 43 PRO CD C 13 49.656 0.20 . . . . . . . 43 PRO CD . 15624 1 506 . 1 . 1 43 43 PRO CG C 13 27.599 0.20 . . . . . . . 43 PRO CG . 15624 1 507 . 1 . 1 44 44 THR H H 1 9.156 0.02 . . . . . . . 44 THR H . 15624 1 508 . 1 . 1 44 44 THR HA H 1 4.502 0.02 . . . . . . . 44 THR HA . 15624 1 509 . 1 . 1 44 44 THR HB H 1 4.772 0.02 . . . . . . . 44 THR HB . 15624 1 510 . 1 . 1 44 44 THR HG21 H 1 1.350 0.02 . . . . . . . 44 THR QG2 . 15624 1 511 . 1 . 1 44 44 THR HG22 H 1 1.350 0.02 . . . . . . . 44 THR QG2 . 15624 1 512 . 1 . 1 44 44 THR HG23 H 1 1.350 0.02 . . . . . . . 44 THR QG2 . 15624 1 513 . 1 . 1 44 44 THR C C 13 177.640 0.10 . . . . . . . 44 THR C . 15624 1 514 . 1 . 1 44 44 THR CA C 13 60.457 0.20 . . . . . . . 44 THR CA . 15624 1 515 . 1 . 1 44 44 THR CB C 13 71.256 0.20 . . . . . . . 44 THR CB . 15624 1 516 . 1 . 1 44 44 THR CG2 C 13 21.835 0.20 . . . . . . . 44 THR CG2 . 15624 1 517 . 1 . 1 44 44 THR N N 15 113.837 0.10 . . . . . . . 44 THR N . 15624 1 518 . 1 . 1 45 45 GLU H H 1 8.769 0.02 . . . . . . . 45 GLU H . 15624 1 519 . 1 . 1 45 45 GLU HA H 1 4.024 0.02 . . . . . . . 45 GLU HA . 15624 1 520 . 1 . 1 45 45 GLU HB2 H 1 2.081 0.02 . . . . . . . 45 GLU HB2 . 15624 1 521 . 1 . 1 45 45 GLU HB3 H 1 1.968 0.02 . . . . . . . 45 GLU HB3 . 15624 1 522 . 1 . 1 45 45 GLU HG2 H 1 2.348 0.02 . . . . . . . 45 GLU HG2 . 15624 1 523 . 1 . 1 45 45 GLU HG3 H 1 2.349 0.02 . . . . . . . 45 GLU HG3 . 15624 1 524 . 1 . 1 45 45 GLU C C 13 178.979 0.10 . . . . . . . 45 GLU C . 15624 1 525 . 1 . 1 45 45 GLU CA C 13 59.977 0.20 . . . . . . . 45 GLU CA . 15624 1 526 . 1 . 1 45 45 GLU CB C 13 29.218 0.20 . . . . . . . 45 GLU CB . 15624 1 527 . 1 . 1 45 45 GLU CG C 13 36.190 0.20 . . . . . . . 45 GLU CG . 15624 1 528 . 1 . 1 45 45 GLU N N 15 120.627 0.10 . . . . . . . 45 GLU N . 15624 1 529 . 1 . 1 46 46 ALA H H 1 8.182 0.02 . . . . . . . 46 ALA H . 15624 1 530 . 1 . 1 46 46 ALA HA H 1 4.090 0.02 . . . . . . . 46 ALA HA . 15624 1 531 . 1 . 1 46 46 ALA HB1 H 1 1.430 0.02 . . . . . . . 46 ALA QB . 15624 1 532 . 1 . 1 46 46 ALA HB2 H 1 1.430 0.02 . . . . . . . 46 ALA QB . 15624 1 533 . 1 . 1 46 46 ALA HB3 H 1 1.430 0.02 . . . . . . . 46 ALA QB . 15624 1 534 . 1 . 1 46 46 ALA C C 13 180.597 0.10 . . . . . . . 46 ALA C . 15624 1 535 . 1 . 1 46 46 ALA CA C 13 55.124 0.20 . . . . . . . 46 ALA CA . 15624 1 536 . 1 . 1 46 46 ALA CB C 13 18.349 0.20 . . . . . . . 46 ALA CB . 15624 1 537 . 1 . 1 46 46 ALA N N 15 120.576 0.10 . . . . . . . 46 ALA N . 15624 1 538 . 1 . 1 47 47 GLU H H 1 7.672 0.02 . . . . . . . 47 GLU H . 15624 1 539 . 1 . 1 47 47 GLU HA H 1 4.036 0.02 . . . . . . . 47 GLU HA . 15624 1 540 . 1 . 1 47 47 GLU HB2 H 1 2.430 0.02 . . . . . . . 47 GLU HB2 . 15624 1 541 . 1 . 1 47 47 GLU HB3 H 1 1.881 0.02 . . . . . . . 47 GLU HB3 . 15624 1 542 . 1 . 1 47 47 GLU HG2 H 1 2.390 0.02 . . . . . . . 47 GLU HG2 . 15624 1 543 . 1 . 1 47 47 GLU HG3 H 1 2.383 0.02 . . . . . . . 47 GLU HG3 . 15624 1 544 . 1 . 1 47 47 GLU C C 13 179.608 0.10 . . . . . . . 47 GLU C . 15624 1 545 . 1 . 1 47 47 GLU CA C 13 59.225 0.20 . . . . . . . 47 GLU CA . 15624 1 546 . 1 . 1 47 47 GLU CB C 13 29.286 0.20 . . . . . . . 47 GLU CB . 15624 1 547 . 1 . 1 47 47 GLU CG C 13 37.545 0.20 . . . . . . . 47 GLU CG . 15624 1 548 . 1 . 1 47 47 GLU N N 15 118.789 0.10 . . . . . . . 47 GLU N . 15624 1 549 . 1 . 1 48 48 LEU H H 1 8.235 0.02 . . . . . . . 48 LEU H . 15624 1 550 . 1 . 1 48 48 LEU HA H 1 4.133 0.02 . . . . . . . 48 LEU HA . 15624 1 551 . 1 . 1 48 48 LEU HB2 H 1 2.124 0.02 . . . . . . . 48 LEU HB2 . 15624 1 552 . 1 . 1 48 48 LEU HB3 H 1 1.210 0.02 . . . . . . . 48 LEU HB3 . 15624 1 553 . 1 . 1 48 48 LEU HD11 H 1 0.860 0.02 . . . . . . . 48 LEU QD1 . 15624 1 554 . 1 . 1 48 48 LEU HD12 H 1 0.860 0.02 . . . . . . . 48 LEU QD1 . 15624 1 555 . 1 . 1 48 48 LEU HD13 H 1 0.860 0.02 . . . . . . . 48 LEU QD1 . 15624 1 556 . 1 . 1 48 48 LEU HD21 H 1 0.784 0.02 . . . . . . . 48 LEU QD2 . 15624 1 557 . 1 . 1 48 48 LEU HD22 H 1 0.784 0.02 . . . . . . . 48 LEU QD2 . 15624 1 558 . 1 . 1 48 48 LEU HD23 H 1 0.784 0.02 . . . . . . . 48 LEU QD2 . 15624 1 559 . 1 . 1 48 48 LEU HG H 1 1.736 0.02 . . . . . . . 48 LEU HG . 15624 1 560 . 1 . 1 48 48 LEU C C 13 179.058 0.10 . . . . . . . 48 LEU C . 15624 1 561 . 1 . 1 48 48 LEU CA C 13 57.927 0.20 . . . . . . . 48 LEU CA . 15624 1 562 . 1 . 1 48 48 LEU CB C 13 42.547 0.20 . . . . . . . 48 LEU CB . 15624 1 563 . 1 . 1 48 48 LEU CD1 C 13 26.073 0.20 . . . . . . . 48 LEU CD1 . 15624 1 564 . 1 . 1 48 48 LEU CD2 C 13 23.486 0.20 . . . . . . . 48 LEU CD2 . 15624 1 565 . 1 . 1 48 48 LEU CG C 13 26.084 0.20 . . . . . . . 48 LEU CG . 15624 1 566 . 1 . 1 48 48 LEU N N 15 119.433 0.10 . . . . . . . 48 LEU N . 15624 1 567 . 1 . 1 49 49 GLN H H 1 8.144 0.02 . . . . . . . 49 GLN H . 15624 1 568 . 1 . 1 49 49 GLN HA H 1 3.852 0.02 . . . . . . . 49 GLN HA . 15624 1 569 . 1 . 1 49 49 GLN HB2 H 1 2.238 0.02 . . . . . . . 49 GLN HB2 . 15624 1 570 . 1 . 1 49 49 GLN HB3 H 1 2.170 0.02 . . . . . . . 49 GLN HB3 . 15624 1 571 . 1 . 1 49 49 GLN HG2 H 1 2.513 0.02 . . . . . . . 49 GLN HG2 . 15624 1 572 . 1 . 1 49 49 GLN HG3 H 1 2.432 0.02 . . . . . . . 49 GLN HG3 . 15624 1 573 . 1 . 1 49 49 GLN C C 13 178.701 0.10 . . . . . . . 49 GLN C . 15624 1 574 . 1 . 1 49 49 GLN CA C 13 58.679 0.20 . . . . . . . 49 GLN CA . 15624 1 575 . 1 . 1 49 49 GLN CB C 13 28.054 0.20 . . . . . . . 49 GLN CB . 15624 1 576 . 1 . 1 49 49 GLN CG C 13 34.207 0.20 . . . . . . . 49 GLN CG . 15624 1 577 . 1 . 1 49 49 GLN N N 15 117.887 0.10 . . . . . . . 49 GLN N . 15624 1 578 . 1 . 1 50 50 ASP H H 1 8.059 0.02 . . . . . . . 50 ASP H . 15624 1 579 . 1 . 1 50 50 ASP HA H 1 4.477 0.02 . . . . . . . 50 ASP HA . 15624 1 580 . 1 . 1 50 50 ASP HB2 H 1 2.878 0.02 . . . . . . . 50 ASP HB2 . 15624 1 581 . 1 . 1 50 50 ASP HB3 H 1 2.657 0.02 . . . . . . . 50 ASP HB3 . 15624 1 582 . 1 . 1 50 50 ASP C C 13 179.153 0.10 . . . . . . . 50 ASP C . 15624 1 583 . 1 . 1 50 50 ASP CA C 13 57.517 0.20 . . . . . . . 50 ASP CA . 15624 1 584 . 1 . 1 50 50 ASP CB C 13 40.428 0.20 . . . . . . . 50 ASP CB . 15624 1 585 . 1 . 1 50 50 ASP N N 15 120.635 0.10 . . . . . . . 50 ASP N . 15624 1 586 . 1 . 1 51 51 MET H H 1 8.153 0.02 . . . . . . . 51 MET H . 15624 1 587 . 1 . 1 51 51 MET HA H 1 3.940 0.02 . . . . . . . 51 MET HA . 15624 1 588 . 1 . 1 51 51 MET HB2 H 1 2.292 0.02 . . . . . . . 51 MET HB2 . 15624 1 589 . 1 . 1 51 51 MET HB3 H 1 2.060 0.02 . . . . . . . 51 MET HB3 . 15624 1 590 . 1 . 1 51 51 MET HE1 H 1 1.994 0.02 . . . . . . . 51 MET QE . 15624 1 591 . 1 . 1 51 51 MET HE2 H 1 1.994 0.02 . . . . . . . 51 MET QE . 15624 1 592 . 1 . 1 51 51 MET HE3 H 1 1.994 0.02 . . . . . . . 51 MET QE . 15624 1 593 . 1 . 1 51 51 MET HG2 H 1 2.792 0.02 . . . . . . . 51 MET HG2 . 15624 1 594 . 1 . 1 51 51 MET HG3 H 1 2.462 0.02 . . . . . . . 51 MET HG3 . 15624 1 595 . 1 . 1 51 51 MET C C 13 178.298 0.10 . . . . . . . 51 MET C . 15624 1 596 . 1 . 1 51 51 MET CA C 13 59.430 0.20 . . . . . . . 51 MET CA . 15624 1 597 . 1 . 1 51 51 MET CB C 13 33.797 0.20 . . . . . . . 51 MET CB . 15624 1 598 . 1 . 1 51 51 MET CE C 13 18.007 0.20 . . . . . . . 51 MET CE . 15624 1 599 . 1 . 1 51 51 MET CG C 13 32.567 0.20 . . . . . . . 51 MET CG . 15624 1 600 . 1 . 1 51 51 MET N N 15 120.137 0.10 . . . . . . . 51 MET N . 15624 1 601 . 1 . 1 52 52 ILE H H 1 7.824 0.02 . . . . . . . 52 ILE H . 15624 1 602 . 1 . 1 52 52 ILE HA H 1 3.519 0.02 . . . . . . . 52 ILE HA . 15624 1 603 . 1 . 1 52 52 ILE HB H 1 1.995 0.02 . . . . . . . 52 ILE HB . 15624 1 604 . 1 . 1 52 52 ILE HD11 H 1 0.727 0.02 . . . . . . . 52 ILE QD1 . 15624 1 605 . 1 . 1 52 52 ILE HD12 H 1 0.727 0.02 . . . . . . . 52 ILE QD1 . 15624 1 606 . 1 . 1 52 52 ILE HD13 H 1 0.727 0.02 . . . . . . . 52 ILE QD1 . 15624 1 607 . 1 . 1 52 52 ILE HG12 H 1 1.650 0.02 . . . . . . . 52 ILE HG12 . 15624 1 608 . 1 . 1 52 52 ILE HG13 H 1 1.139 0.02 . . . . . . . 52 ILE HG13 . 15624 1 609 . 1 . 1 52 52 ILE HG21 H 1 0.725 0.02 . . . . . . . 52 ILE QG2 . 15624 1 610 . 1 . 1 52 52 ILE HG22 H 1 0.725 0.02 . . . . . . . 52 ILE QG2 . 15624 1 611 . 1 . 1 52 52 ILE HG23 H 1 0.725 0.02 . . . . . . . 52 ILE QG2 . 15624 1 612 . 1 . 1 52 52 ILE C C 13 178.341 0.10 . . . . . . . 52 ILE C . 15624 1 613 . 1 . 1 52 52 ILE CA C 13 64.557 0.20 . . . . . . . 52 ILE CA . 15624 1 614 . 1 . 1 52 52 ILE CB C 13 37.010 0.20 . . . . . . . 52 ILE CB . 15624 1 615 . 1 . 1 52 52 ILE CD1 C 13 12.266 0.20 . . . . . . . 52 ILE CD1 . 15624 1 616 . 1 . 1 52 52 ILE CG1 C 13 28.891 0.20 . . . . . . . 52 ILE CG1 . 15624 1 617 . 1 . 1 52 52 ILE CG2 C 13 16.367 0.20 . . . . . . . 52 ILE CG2 . 15624 1 618 . 1 . 1 52 52 ILE N N 15 117.324 0.10 . . . . . . . 52 ILE N . 15624 1 619 . 1 . 1 53 53 ASN H H 1 8.511 0.02 . . . . . . . 53 ASN H . 15624 1 620 . 1 . 1 53 53 ASN HA H 1 4.449 0.02 . . . . . . . 53 ASN HA . 15624 1 621 . 1 . 1 53 53 ASN HB2 H 1 3.025 0.02 . . . . . . . 53 ASN HB2 . 15624 1 622 . 1 . 1 53 53 ASN HB3 H 1 2.918 0.02 . . . . . . . 53 ASN HB3 . 15624 1 623 . 1 . 1 53 53 ASN HD21 H 1 6.976 0.02 . . . . . . . 53 ASN HD21 . 15624 1 624 . 1 . 1 53 53 ASN HD22 H 1 7.820 0.02 . . . . . . . 53 ASN HD22 . 15624 1 625 . 1 . 1 53 53 ASN C C 13 177.095 0.10 . . . . . . . 53 ASN C . 15624 1 626 . 1 . 1 53 53 ASN CA C 13 55.944 0.20 . . . . . . . 53 ASN CA . 15624 1 627 . 1 . 1 53 53 ASN CB C 13 38.377 0.20 . . . . . . . 53 ASN CB . 15624 1 628 . 1 . 1 53 53 ASN CG C 13 176.543 0.20 . . . . . . . 53 ASN CG . 15624 1 629 . 1 . 1 53 53 ASN N N 15 117.646 0.10 . . . . . . . 53 ASN N . 15624 1 630 . 1 . 1 53 53 ASN ND2 N 15 111.556 0.10 . . . . . . . 53 ASN ND2 . 15624 1 631 . 1 . 1 54 54 GLU H H 1 7.478 0.02 . . . . . . . 54 GLU H . 15624 1 632 . 1 . 1 54 54 GLU HA H 1 4.065 0.02 . . . . . . . 54 GLU HA . 15624 1 633 . 1 . 1 54 54 GLU HB2 H 1 2.128 0.02 . . . . . . . 54 GLU HB2 . 15624 1 634 . 1 . 1 54 54 GLU HB3 H 1 2.361 0.02 . . . . . . . 54 GLU HB3 . 15624 1 635 . 1 . 1 54 54 GLU HG2 H 1 2.352 0.02 . . . . . . . 54 GLU HG2 . 15624 1 636 . 1 . 1 54 54 GLU C C 13 177.346 0.10 . . . . . . . 54 GLU C . 15624 1 637 . 1 . 1 54 54 GLU CA C 13 58.510 0.20 . . . . . . . 54 GLU CA . 15624 1 638 . 1 . 1 54 54 GLU CB C 13 29.802 0.20 . . . . . . . 54 GLU CB . 15624 1 639 . 1 . 1 54 54 GLU CG C 13 35.819 0.20 . . . . . . . 54 GLU CG . 15624 1 640 . 1 . 1 54 54 GLU N N 15 116.708 0.10 . . . . . . . 54 GLU N . 15624 1 641 . 1 . 1 55 55 VAL H H 1 7.261 0.02 . . . . . . . 55 VAL H . 15624 1 642 . 1 . 1 55 55 VAL HA H 1 4.275 0.02 . . . . . . . 55 VAL HA . 15624 1 643 . 1 . 1 55 55 VAL HB H 1 2.162 0.02 . . . . . . . 55 VAL HB . 15624 1 644 . 1 . 1 55 55 VAL HG11 H 1 0.936 0.02 . . . . . . . 55 VAL QG1 . 15624 1 645 . 1 . 1 55 55 VAL HG12 H 1 0.936 0.02 . . . . . . . 55 VAL QG1 . 15624 1 646 . 1 . 1 55 55 VAL HG13 H 1 0.936 0.02 . . . . . . . 55 VAL QG1 . 15624 1 647 . 1 . 1 55 55 VAL HG21 H 1 0.917 0.02 . . . . . . . 55 VAL QG2 . 15624 1 648 . 1 . 1 55 55 VAL HG22 H 1 0.917 0.02 . . . . . . . 55 VAL QG2 . 15624 1 649 . 1 . 1 55 55 VAL HG23 H 1 0.917 0.02 . . . . . . . 55 VAL QG2 . 15624 1 650 . 1 . 1 55 55 VAL C C 13 175.725 0.10 . . . . . . . 55 VAL C . 15624 1 651 . 1 . 1 55 55 VAL CA C 13 61.139 0.20 . . . . . . . 55 VAL CA . 15624 1 652 . 1 . 1 55 55 VAL CB C 13 33.048 0.20 . . . . . . . 55 VAL CB . 15624 1 653 . 1 . 1 55 55 VAL CG1 C 13 20.400 0.20 . . . . . . . 55 VAL CG1 . 15624 1 654 . 1 . 1 55 55 VAL CG2 C 13 22.519 0.20 . . . . . . . 55 VAL CG2 . 15624 1 655 . 1 . 1 55 55 VAL N N 15 111.845 0.10 . . . . . . . 55 VAL N . 15624 1 656 . 1 . 1 56 56 ASP H H 1 7.801 0.02 . . . . . . . 56 ASP H . 15624 1 657 . 1 . 1 56 56 ASP HA H 1 4.518 0.02 . . . . . . . 56 ASP HA . 15624 1 658 . 1 . 1 56 56 ASP HB2 H 1 2.718 0.02 . . . . . . . 56 ASP HB2 . 15624 1 659 . 1 . 1 56 56 ASP HB3 H 1 2.491 0.02 . . . . . . . 56 ASP HB3 . 15624 1 660 . 1 . 1 56 56 ASP C C 13 175.974 0.10 . . . . . . . 56 ASP C . 15624 1 661 . 1 . 1 56 56 ASP CA C 13 53.894 0.20 . . . . . . . 56 ASP CA . 15624 1 662 . 1 . 1 56 56 ASP CB C 13 41.316 0.20 . . . . . . . 56 ASP CB . 15624 1 663 . 1 . 1 56 56 ASP N N 15 120.898 0.10 . . . . . . . 56 ASP N . 15624 1 664 . 1 . 1 57 57 ALA H H 1 8.159 0.02 . . . . . . . 57 ALA H . 15624 1 665 . 1 . 1 57 57 ALA HA H 1 4.264 0.02 . . . . . . . 57 ALA HA . 15624 1 666 . 1 . 1 57 57 ALA HB1 H 1 1.545 0.02 . . . . . . . 57 ALA QB . 15624 1 667 . 1 . 1 57 57 ALA HB2 H 1 1.545 0.02 . . . . . . . 57 ALA QB . 15624 1 668 . 1 . 1 57 57 ALA HB3 H 1 1.545 0.02 . . . . . . . 57 ALA QB . 15624 1 669 . 1 . 1 57 57 ALA C C 13 178.891 0.10 . . . . . . . 57 ALA C . 15624 1 670 . 1 . 1 57 57 ALA CA C 13 54.167 0.20 . . . . . . . 57 ALA CA . 15624 1 671 . 1 . 1 57 57 ALA CB C 13 19.921 0.20 . . . . . . . 57 ALA CB . 15624 1 672 . 1 . 1 57 57 ALA N N 15 131.359 0.10 . . . . . . . 57 ALA N . 15624 1 673 . 1 . 1 58 58 ASP H H 1 8.276 0.02 . . . . . . . 58 ASP H . 15624 1 674 . 1 . 1 58 58 ASP HA H 1 4.627 0.02 . . . . . . . 58 ASP HA . 15624 1 675 . 1 . 1 58 58 ASP HB2 H 1 3.030 0.02 . . . . . . . 58 ASP HB2 . 15624 1 676 . 1 . 1 58 58 ASP HB3 H 1 2.678 0.02 . . . . . . . 58 ASP HB3 . 15624 1 677 . 1 . 1 58 58 ASP C C 13 178.095 0.10 . . . . . . . 58 ASP C . 15624 1 678 . 1 . 1 58 58 ASP CA C 13 52.894 0.20 . . . . . . . 58 ASP CA . 15624 1 679 . 1 . 1 58 58 ASP CB C 13 39.859 0.20 . . . . . . . 58 ASP CB . 15624 1 680 . 1 . 1 58 58 ASP N N 15 114.306 0.10 . . . . . . . 58 ASP N . 15624 1 681 . 1 . 1 59 59 GLY H H 1 7.601 0.02 . . . . . . . 59 GLY H . 15624 1 682 . 1 . 1 59 59 GLY HA2 H 1 3.988 0.02 . . . . . . . 59 GLY HA2 . 15624 1 683 . 1 . 1 59 59 GLY HA3 H 1 3.823 0.02 . . . . . . . 59 GLY HA3 . 15624 1 684 . 1 . 1 59 59 GLY C C 13 175.263 0.10 . . . . . . . 59 GLY C . 15624 1 685 . 1 . 1 59 59 GLY CA C 13 47.400 0.20 . . . . . . . 59 GLY CA . 15624 1 686 . 1 . 1 59 59 GLY N N 15 108.680 0.10 . . . . . . . 59 GLY N . 15624 1 687 . 1 . 1 60 60 ASN H H 1 8.241 0.02 . . . . . . . 60 ASN H . 15624 1 688 . 1 . 1 60 60 ASN HA H 1 4.653 0.02 . . . . . . . 60 ASN HA . 15624 1 689 . 1 . 1 60 60 ASN HB2 H 1 3.339 0.02 . . . . . . . 60 ASN HB2 . 15624 1 690 . 1 . 1 60 60 ASN HB3 H 1 3.129 0.02 . . . . . . . 60 ASN HB3 . 15624 1 691 . 1 . 1 60 60 ASN C C 13 177.016 0.10 . . . . . . . 60 ASN C . 15624 1 692 . 1 . 1 60 60 ASN CA C 13 52.707 0.20 . . . . . . . 60 ASN CA . 15624 1 693 . 1 . 1 60 60 ASN CB C 13 37.694 0.20 . . . . . . . 60 ASN CB . 15624 1 694 . 1 . 1 60 60 ASN N N 15 118.965 0.10 . . . . . . . 60 ASN N . 15624 1 695 . 1 . 1 61 61 GLY H H 1 10.429 0.02 . . . . . . . 61 GLY H . 15624 1 696 . 1 . 1 61 61 GLY HA2 H 1 4.275 0.02 . . . . . . . 61 GLY HA2 . 15624 1 697 . 1 . 1 61 61 GLY HA3 H 1 3.504 0.02 . . . . . . . 61 GLY HA3 . 15624 1 698 . 1 . 1 61 61 GLY C C 13 173.538 0.10 . . . . . . . 61 GLY C . 15624 1 699 . 1 . 1 61 61 GLY CA C 13 45.623 0.20 . . . . . . . 61 GLY CA . 15624 1 700 . 1 . 1 61 61 GLY N N 15 112.958 0.10 . . . . . . . 61 GLY N . 15624 1 701 . 1 . 1 62 62 THR H H 1 7.678 0.02 . . . . . . . 62 THR H . 15624 1 702 . 1 . 1 62 62 THR HA H 1 4.822 0.02 . . . . . . . 62 THR HA . 15624 1 703 . 1 . 1 62 62 THR HB H 1 4.011 0.02 . . . . . . . 62 THR HB . 15624 1 704 . 1 . 1 62 62 THR HG21 H 1 1.132 0.02 . . . . . . . 62 THR QG2 . 15624 1 705 . 1 . 1 62 62 THR HG22 H 1 1.132 0.02 . . . . . . . 62 THR QG2 . 15624 1 706 . 1 . 1 62 62 THR HG23 H 1 1.132 0.02 . . . . . . . 62 THR QG2 . 15624 1 707 . 1 . 1 62 62 THR C C 13 173.833 0.10 . . . . . . . 62 THR C . 15624 1 708 . 1 . 1 62 62 THR CA C 13 59.430 0.20 . . . . . . . 62 THR CA . 15624 1 709 . 1 . 1 62 62 THR CB C 13 72.281 0.20 . . . . . . . 62 THR CB . 15624 1 710 . 1 . 1 62 62 THR CG2 C 13 22.519 0.20 . . . . . . . 62 THR CG2 . 15624 1 711 . 1 . 1 62 62 THR N N 15 108.534 0.10 . . . . . . . 62 THR N . 15624 1 712 . 1 . 1 63 63 ILE H H 1 8.634 0.02 . . . . . . . 63 ILE H . 15624 1 713 . 1 . 1 63 63 ILE HA H 1 5.053 0.02 . . . . . . . 63 ILE HA . 15624 1 714 . 1 . 1 63 63 ILE HB H 1 2.015 0.02 . . . . . . . 63 ILE HB . 15624 1 715 . 1 . 1 63 63 ILE HD11 H 1 0.822 0.02 . . . . . . . 63 ILE QD1 . 15624 1 716 . 1 . 1 63 63 ILE HD12 H 1 0.822 0.02 . . . . . . . 63 ILE QD1 . 15624 1 717 . 1 . 1 63 63 ILE HD13 H 1 0.822 0.02 . . . . . . . 63 ILE QD1 . 15624 1 718 . 1 . 1 63 63 ILE HG12 H 1 1.638 0.02 . . . . . . . 63 ILE HG12 . 15624 1 719 . 1 . 1 63 63 ILE HG13 H 1 1.238 0.02 . . . . . . . 63 ILE HG13 . 15624 1 720 . 1 . 1 63 63 ILE HG21 H 1 1.238 0.02 . . . . . . . 63 ILE QG2 . 15624 1 721 . 1 . 1 63 63 ILE HG22 H 1 1.238 0.02 . . . . . . . 63 ILE QG2 . 15624 1 722 . 1 . 1 63 63 ILE HG23 H 1 1.238 0.02 . . . . . . . 63 ILE QG2 . 15624 1 723 . 1 . 1 63 63 ILE C C 13 175.716 0.10 . . . . . . . 63 ILE C . 15624 1 724 . 1 . 1 63 63 ILE CA C 13 60.251 0.20 . . . . . . . 63 ILE CA . 15624 1 725 . 1 . 1 63 63 ILE CB C 13 39.744 0.20 . . . . . . . 63 ILE CB . 15624 1 726 . 1 . 1 63 63 ILE CD1 C 13 13.359 0.20 . . . . . . . 63 ILE CD1 . 15624 1 727 . 1 . 1 63 63 ILE CG1 C 13 27.255 0.20 . . . . . . . 63 ILE CG1 . 15624 1 728 . 1 . 1 63 63 ILE CG2 C 13 18.333 0.20 . . . . . . . 63 ILE CG2 . 15624 1 729 . 1 . 1 63 63 ILE N N 15 123.155 0.10 . . . . . . . 63 ILE N . 15624 1 730 . 1 . 1 64 64 ASP H H 1 9.115 0.02 . . . . . . . 64 ASP H . 15624 1 731 . 1 . 1 64 64 ASP HA H 1 5.515 0.02 . . . . . . . 64 ASP HA . 15624 1 732 . 1 . 1 64 64 ASP HB2 H 1 3.066 0.02 . . . . . . . 64 ASP HB2 . 15624 1 733 . 1 . 1 64 64 ASP HB3 H 1 2.848 0.02 . . . . . . . 64 ASP HB3 . 15624 1 734 . 1 . 1 64 64 ASP C C 13 176.453 0.10 . . . . . . . 64 ASP C . 15624 1 735 . 1 . 1 64 64 ASP CA C 13 52.322 0.20 . . . . . . . 64 ASP CA . 15624 1 736 . 1 . 1 64 64 ASP CB C 13 42.478 0.20 . . . . . . . 64 ASP CB . 15624 1 737 . 1 . 1 64 64 ASP N N 15 128.927 0.10 . . . . . . . 64 ASP N . 15624 1 738 . 1 . 1 65 65 PHE H H 1 8.939 0.02 . . . . . . . 65 PHE H . 15624 1 739 . 1 . 1 65 65 PHE HA H 1 3.965 0.02 . . . . . . . 65 PHE HA . 15624 1 740 . 1 . 1 65 65 PHE HB2 H 1 2.866 0.02 . . . . . . . 65 PHE HB2 . 15624 1 741 . 1 . 1 65 65 PHE HB3 H 1 2.125 0.02 . . . . . . . 65 PHE HB3 . 15624 1 742 . 1 . 1 65 65 PHE HD1 H 1 6.723 0.02 . . . . . . . 65 PHE HD1 . 15624 1 743 . 1 . 1 65 65 PHE HD2 H 1 6.723 0.02 . . . . . . . 65 PHE HD2 . 15624 1 744 . 1 . 1 65 65 PHE HE1 H 1 7.341 0.02 . . . . . . . 65 PHE HE1 . 15624 1 745 . 1 . 1 65 65 PHE HE2 H 1 7.341 0.02 . . . . . . . 65 PHE HE2 . 15624 1 746 . 1 . 1 65 65 PHE HZ H 1 7.194 0.02 . . . . . . . 65 PHE HZ . 15624 1 747 . 1 . 1 65 65 PHE C C 13 173.915 0.10 . . . . . . . 65 PHE C . 15624 1 748 . 1 . 1 65 65 PHE CA C 13 63.069 0.20 . . . . . . . 65 PHE CA . 15624 1 749 . 1 . 1 65 65 PHE CB C 13 35.985 0.20 . . . . . . . 65 PHE CB . 15624 1 750 . 1 . 1 65 65 PHE N N 15 118.994 0.10 . . . . . . . 65 PHE N . 15624 1 751 . 1 . 1 66 66 PRO HA H 1 3.864 0.02 . . . . . . . 66 PRO HA . 15624 1 752 . 1 . 1 66 66 PRO HB2 H 1 2.211 0.02 . . . . . . . 66 PRO HB2 . 15624 1 753 . 1 . 1 66 66 PRO HB3 H 1 1.902 0.02 . . . . . . . 66 PRO HB3 . 15624 1 754 . 1 . 1 66 66 PRO HD2 H 1 3.766 0.02 . . . . . . . 66 PRO HD2 . 15624 1 755 . 1 . 1 66 66 PRO HD3 H 1 3.766 0.02 . . . . . . . 66 PRO HD3 . 15624 1 756 . 1 . 1 66 66 PRO C C 13 179.995 0.10 . . . . . . . 66 PRO C . 15624 1 757 . 1 . 1 66 66 PRO CA C 13 66.744 0.20 . . . . . . . 66 PRO CA . 15624 1 758 . 1 . 1 66 66 PRO CB C 13 30.442 0.20 . . . . . . . 66 PRO CB . 15624 1 759 . 1 . 1 66 66 PRO CD C 13 49.246 0.20 . . . . . . . 66 PRO CD . 15624 1 760 . 1 . 1 66 66 PRO CG C 13 28.538 0.20 . . . . . . . 66 PRO CG . 15624 1 761 . 1 . 1 67 67 GLU H H 1 8.111 0.02 . . . . . . . 67 GLU H . 15624 1 762 . 1 . 1 67 67 GLU HA H 1 4.071 0.02 . . . . . . . 67 GLU HA . 15624 1 763 . 1 . 1 67 67 GLU HB2 H 1 2.682 0.02 . . . . . . . 67 GLU HB2 . 15624 1 764 . 1 . 1 67 67 GLU HB3 H 1 2.107 0.02 . . . . . . . 67 GLU HB3 . 15624 1 765 . 1 . 1 67 67 GLU HG2 H 1 2.968 0.02 . . . . . . . 67 GLU HG2 . 15624 1 766 . 1 . 1 67 67 GLU HG3 H 1 2.418 0.02 . . . . . . . 67 GLU HG3 . 15624 1 767 . 1 . 1 67 67 GLU C C 13 179.596 0.10 . . . . . . . 67 GLU C . 15624 1 768 . 1 . 1 67 67 GLU CA C 13 58.747 0.20 . . . . . . . 67 GLU CA . 15624 1 769 . 1 . 1 67 67 GLU CB C 13 29.218 0.20 . . . . . . . 67 GLU CB . 15624 1 770 . 1 . 1 67 67 GLU CG C 13 37.283 0.20 . . . . . . . 67 GLU CG . 15624 1 771 . 1 . 1 67 67 GLU N N 15 117.651 0.10 . . . . . . . 67 GLU N . 15624 1 772 . 1 . 1 68 68 PHE H H 1 8.628 0.02 . . . . . . . 68 PHE H . 15624 1 773 . 1 . 1 68 68 PHE HA H 1 3.971 0.02 . . . . . . . 68 PHE HA . 15624 1 774 . 1 . 1 68 68 PHE HB2 H 1 3.487 0.02 . . . . . . . 68 PHE HB2 . 15624 1 775 . 1 . 1 68 68 PHE HB3 H 1 3.158 0.02 . . . . . . . 68 PHE HB3 . 15624 1 776 . 1 . 1 68 68 PHE HD1 H 1 6.639 0.02 . . . . . . . 68 PHE HD1 . 15624 1 777 . 1 . 1 68 68 PHE HD2 H 1 6.639 0.02 . . . . . . . 68 PHE HD2 . 15624 1 778 . 1 . 1 68 68 PHE HE1 H 1 7.074 0.02 . . . . . . . 68 PHE HE1 . 15624 1 779 . 1 . 1 68 68 PHE HE2 H 1 7.074 0.02 . . . . . . . 68 PHE HE2 . 15624 1 780 . 1 . 1 68 68 PHE HZ H 1 7.206 0.02 . . . . . . . 68 PHE HZ . 15624 1 781 . 1 . 1 68 68 PHE C C 13 176.674 0.10 . . . . . . . 68 PHE C . 15624 1 782 . 1 . 1 68 68 PHE CA C 13 61.481 0.20 . . . . . . . 68 PHE CA . 15624 1 783 . 1 . 1 68 68 PHE CB C 13 40.496 0.20 . . . . . . . 68 PHE CB . 15624 1 784 . 1 . 1 68 68 PHE N N 15 123.594 0.10 . . . . . . . 68 PHE N . 15624 1 785 . 1 . 1 69 69 LEU H H 1 8.816 0.02 . . . . . . . 69 LEU H . 15624 1 786 . 1 . 1 69 69 LEU HA H 1 3.259 0.02 . . . . . . . 69 LEU HA . 15624 1 787 . 1 . 1 69 69 LEU HB2 H 1 1.194 0.02 . . . . . . . 69 LEU HB2 . 15624 1 788 . 1 . 1 69 69 LEU HD11 H 1 0.519 0.02 . . . . . . . 69 LEU QD1 . 15624 1 789 . 1 . 1 69 69 LEU HD12 H 1 0.519 0.02 . . . . . . . 69 LEU QD1 . 15624 1 790 . 1 . 1 69 69 LEU HD13 H 1 0.519 0.02 . . . . . . . 69 LEU QD1 . 15624 1 791 . 1 . 1 69 69 LEU HD21 H 1 0.579 0.02 . . . . . . . 69 LEU QD2 . 15624 1 792 . 1 . 1 69 69 LEU HD22 H 1 0.579 0.02 . . . . . . . 69 LEU QD2 . 15624 1 793 . 1 . 1 69 69 LEU HD23 H 1 0.579 0.02 . . . . . . . 69 LEU QD2 . 15624 1 794 . 1 . 1 69 69 LEU HG H 1 0.980 0.02 . . . . . . . 69 LEU HG . 15624 1 795 . 1 . 1 69 69 LEU C C 13 178.838 0.10 . . . . . . . 69 LEU C . 15624 1 796 . 1 . 1 69 69 LEU CA C 13 57.927 0.20 . . . . . . . 69 LEU CA . 15624 1 797 . 1 . 1 69 69 LEU CB C 13 41.180 0.20 . . . . . . . 69 LEU CB . 15624 1 798 . 1 . 1 69 69 LEU CD1 C 13 25.048 0.20 . . . . . . . 69 LEU CD1 . 15624 1 799 . 1 . 1 69 69 LEU CD2 C 13 24.433 0.20 . . . . . . . 69 LEU CD2 . 15624 1 800 . 1 . 1 69 69 LEU CG C 13 24.853 0.20 . . . . . . . 69 LEU CG . 15624 1 801 . 1 . 1 69 69 LEU N N 15 120.166 0.10 . . . . . . . 69 LEU N . 15624 1 802 . 1 . 1 70 70 THR H H 1 7.795 0.02 . . . . . . . 70 THR H . 15624 1 803 . 1 . 1 70 70 THR HA H 1 3.696 0.02 . . . . . . . 70 THR HA . 15624 1 804 . 1 . 1 70 70 THR HB H 1 4.174 0.02 . . . . . . . 70 THR HB . 15624 1 805 . 1 . 1 70 70 THR HG21 H 1 1.185 0.02 . . . . . . . 70 THR QG2 . 15624 1 806 . 1 . 1 70 70 THR HG22 H 1 1.185 0.02 . . . . . . . 70 THR QG2 . 15624 1 807 . 1 . 1 70 70 THR HG23 H 1 1.185 0.02 . . . . . . . 70 THR QG2 . 15624 1 808 . 1 . 1 70 70 THR C C 13 176.408 0.10 . . . . . . . 70 THR C . 15624 1 809 . 1 . 1 70 70 THR CA C 13 66.608 0.20 . . . . . . . 70 THR CA . 15624 1 810 . 1 . 1 70 70 THR CB C 13 68.522 0.20 . . . . . . . 70 THR CB . 15624 1 811 . 1 . 1 70 70 THR CG2 C 13 21.767 0.20 . . . . . . . 70 THR CG2 . 15624 1 812 . 1 . 1 70 70 THR N N 15 115.126 0.10 . . . . . . . 70 THR N . 15624 1 813 . 1 . 1 71 71 MET H H 1 7.472 0.02 . . . . . . . 71 MET H . 15624 1 814 . 1 . 1 71 71 MET HA H 1 3.920 0.02 . . . . . . . 71 MET HA . 15624 1 815 . 1 . 1 71 71 MET HB2 H 1 2.026 0.02 . . . . . . . 71 MET HB2 . 15624 1 816 . 1 . 1 71 71 MET HE1 H 1 1.724 0.02 . . . . . . . 71 MET QE . 15624 1 817 . 1 . 1 71 71 MET HE2 H 1 1.724 0.02 . . . . . . . 71 MET QE . 15624 1 818 . 1 . 1 71 71 MET HE3 H 1 1.724 0.02 . . . . . . . 71 MET QE . 15624 1 819 . 1 . 1 71 71 MET HG2 H 1 2.427 0.02 . . . . . . . 71 MET HG2 . 15624 1 820 . 1 . 1 71 71 MET HG3 H 1 2.169 0.02 . . . . . . . 71 MET HG3 . 15624 1 821 . 1 . 1 71 71 MET C C 13 177.902 0.10 . . . . . . . 71 MET C . 15624 1 822 . 1 . 1 71 71 MET CA C 13 58.674 0.20 . . . . . . . 71 MET CA . 15624 1 823 . 1 . 1 71 71 MET CB C 13 32.209 0.20 . . . . . . . 71 MET CB . 15624 1 824 . 1 . 1 71 71 MET CE C 13 17.442 0.20 . . . . . . . 71 MET CE . 15624 1 825 . 1 . 1 71 71 MET CG C 13 31.473 0.20 . . . . . . . 71 MET CG . 15624 1 826 . 1 . 1 71 71 MET N N 15 120.283 0.10 . . . . . . . 71 MET N . 15624 1 827 . 1 . 1 72 72 MET H H 1 7.859 0.02 . . . . . . . 72 MET H . 15624 1 828 . 1 . 1 72 72 MET HA H 1 4.026 0.02 . . . . . . . 72 MET HA . 15624 1 829 . 1 . 1 72 72 MET HB2 H 1 1.983 0.02 . . . . . . . 72 MET HB2 . 15624 1 830 . 1 . 1 72 72 MET HB3 H 1 1.226 0.02 . . . . . . . 72 MET HB3 . 15624 1 831 . 1 . 1 72 72 MET HG2 H 1 1.638 0.02 . . . . . . . 72 MET HG2 . 15624 1 832 . 1 . 1 72 72 MET HG3 H 1 1.528 0.02 . . . . . . . 72 MET HG3 . 15624 1 833 . 1 . 1 72 72 MET C C 13 178.165 0.10 . . . . . . . 72 MET C . 15624 1 834 . 1 . 1 72 72 MET CA C 13 55.524 0.20 . . . . . . . 72 MET CA . 15624 1 835 . 1 . 1 72 72 MET CB C 13 30.303 0.20 . . . . . . . 72 MET CB . 15624 1 836 . 1 . 1 72 72 MET CG C 13 32.362 0.20 . . . . . . . 72 MET CG . 15624 1 837 . 1 . 1 72 72 MET N N 15 115.917 0.10 . . . . . . . 72 MET N . 15624 1 838 . 1 . 1 73 73 ALA H H 1 8.053 0.02 . . . . . . . 73 ALA H . 15624 1 839 . 1 . 1 73 73 ALA HA H 1 4.213 0.02 . . . . . . . 73 ALA HA . 15624 1 840 . 1 . 1 73 73 ALA HB1 H 1 1.311 0.02 . . . . . . . 73 ALA QB . 15624 1 841 . 1 . 1 73 73 ALA HB2 H 1 1.311 0.02 . . . . . . . 73 ALA QB . 15624 1 842 . 1 . 1 73 73 ALA HB3 H 1 1.311 0.02 . . . . . . . 73 ALA QB . 15624 1 843 . 1 . 1 73 73 ALA C C 13 178.163 0.10 . . . . . . . 73 ALA C . 15624 1 844 . 1 . 1 73 73 ALA CA C 13 53.005 0.20 . . . . . . . 73 ALA CA . 15624 1 845 . 1 . 1 73 73 ALA CB C 13 18.828 0.20 . . . . . . . 73 ALA CB . 15624 1 846 . 1 . 1 73 73 ALA N N 15 121.104 0.10 . . . . . . . 73 ALA N . 15624 1 847 . 1 . 1 74 74 ARG H H 1 7.191 0.02 . . . . . . . 74 ARG H . 15624 1 848 . 1 . 1 74 74 ARG HA H 1 4.104 0.02 . . . . . . . 74 ARG HA . 15624 1 849 . 1 . 1 74 74 ARG HB2 H 1 1.795 0.02 . . . . . . . 74 ARG HB2 . 15624 1 850 . 1 . 1 74 74 ARG HB3 H 1 1.868 0.02 . . . . . . . 74 ARG HB3 . 15624 1 851 . 1 . 1 74 74 ARG HD2 H 1 3.162 0.02 . . . . . . . 74 ARG HD2 . 15624 1 852 . 1 . 1 74 74 ARG C C 13 176.885 0.10 . . . . . . . 74 ARG C . 15624 1 853 . 1 . 1 74 74 ARG CA C 13 57.399 0.20 . . . . . . . 74 ARG CA . 15624 1 854 . 1 . 1 74 74 ARG CB C 13 30.653 0.20 . . . . . . . 74 ARG CB . 15624 1 855 . 1 . 1 74 74 ARG CD C 13 43.709 0.20 . . . . . . . 74 ARG CD . 15624 1 856 . 1 . 1 74 74 ARG N N 15 118.320 0.10 . . . . . . . 74 ARG N . 15624 1 857 . 1 . 1 75 75 LYS HA H 1 4.321 0.02 . . . . . . . 75 LYS HA . 15624 1 858 . 1 . 1 75 75 LYS HB2 H 1 1.818 0.02 . . . . . . . 75 LYS HB2 . 15624 1 859 . 1 . 1 75 75 LYS HB3 H 1 1.802 0.02 . . . . . . . 75 LYS HB3 . 15624 1 860 . 1 . 1 75 75 LYS HD2 H 1 1.677 0.02 . . . . . . . 75 LYS HD2 . 15624 1 861 . 1 . 1 75 75 LYS HD3 H 1 1.677 0.02 . . . . . . . 75 LYS HD3 . 15624 1 862 . 1 . 1 75 75 LYS HE2 H 1 3.003 0.02 . . . . . . . 75 LYS HE2 . 15624 1 863 . 1 . 1 75 75 LYS HE3 H 1 3.003 0.02 . . . . . . . 75 LYS HE3 . 15624 1 864 . 1 . 1 75 75 LYS HG2 H 1 1.441 0.02 . . . . . . . 75 LYS HG2 . 15624 1 865 . 1 . 1 75 75 LYS HG3 H 1 1.471 0.02 . . . . . . . 75 LYS HG3 . 15624 1 866 . 1 . 1 75 75 LYS C C 13 176.705 0.10 . . . . . . . 75 LYS C . 15624 1 867 . 1 . 1 75 75 LYS CA C 13 56.355 0.20 . . . . . . . 75 LYS CA . 15624 1 868 . 1 . 1 75 75 LYS CB C 13 32.484 0.20 . . . . . . . 75 LYS CB . 15624 1 869 . 1 . 1 75 75 LYS CD C 13 28.809 0.20 . . . . . . . 75 LYS CD . 15624 1 870 . 1 . 1 75 75 LYS CE C 13 42.206 0.20 . . . . . . . 75 LYS CE . 15624 1 871 . 1 . 1 75 75 LYS CG C 13 24.843 0.20 . . . . . . . 75 LYS CG . 15624 1 872 . 1 . 1 76 76 MET H H 1 8.335 0.02 . . . . . . . 76 MET H . 15624 1 873 . 1 . 1 76 76 MET HA H 1 4.624 0.02 . . . . . . . 76 MET HA . 15624 1 874 . 1 . 1 76 76 MET HB2 H 1 2.144 0.02 . . . . . . . 76 MET HB2 . 15624 1 875 . 1 . 1 76 76 MET HB3 H 1 2.007 0.02 . . . . . . . 76 MET HB3 . 15624 1 876 . 1 . 1 76 76 MET HG2 H 1 2.607 0.02 . . . . . . . 76 MET HG2 . 15624 1 877 . 1 . 1 76 76 MET HG3 H 1 2.538 0.02 . . . . . . . 76 MET HG3 . 15624 1 878 . 1 . 1 76 76 MET C C 13 176.729 0.10 . . . . . . . 76 MET C . 15624 1 879 . 1 . 1 76 76 MET CA C 13 54.815 0.20 . . . . . . . 76 MET CA . 15624 1 880 . 1 . 1 76 76 MET CB C 13 33.256 0.20 . . . . . . . 76 MET CB . 15624 1 881 . 1 . 1 76 76 MET CG C 13 31.952 0.20 . . . . . . . 76 MET CG . 15624 1 882 . 1 . 1 76 76 MET N N 15 122.363 0.10 . . . . . . . 76 MET N . 15624 1 883 . 1 . 1 77 77 LYS H H 1 8.534 0.02 . . . . . . . 77 LYS H . 15624 1 884 . 1 . 1 77 77 LYS HA H 1 4.352 0.02 . . . . . . . 77 LYS HA . 15624 1 885 . 1 . 1 77 77 LYS HB2 H 1 1.879 0.02 . . . . . . . 77 LYS HB2 . 15624 1 886 . 1 . 1 77 77 LYS HB3 H 1 1.844 0.02 . . . . . . . 77 LYS HB3 . 15624 1 887 . 1 . 1 77 77 LYS HD2 H 1 1.718 0.02 . . . . . . . 77 LYS HD2 . 15624 1 888 . 1 . 1 77 77 LYS HD3 H 1 1.772 0.02 . . . . . . . 77 LYS HD3 . 15624 1 889 . 1 . 1 77 77 LYS HE2 H 1 3.036 0.02 . . . . . . . 77 LYS HE2 . 15624 1 890 . 1 . 1 77 77 LYS HE3 H 1 3.036 0.02 . . . . . . . 77 LYS HE3 . 15624 1 891 . 1 . 1 77 77 LYS HG2 H 1 1.528 0.02 . . . . . . . 77 LYS HG2 . 15624 1 892 . 1 . 1 77 77 LYS HG3 H 1 1.536 0.02 . . . . . . . 77 LYS HG3 . 15624 1 893 . 1 . 1 77 77 LYS C C 13 178.325 0.10 . . . . . . . 77 LYS C . 15624 1 894 . 1 . 1 77 77 LYS CA C 13 56.560 0.20 . . . . . . . 77 LYS CA . 15624 1 895 . 1 . 1 77 77 LYS CB C 13 33.110 0.20 . . . . . . . 77 LYS CB . 15624 1 896 . 1 . 1 77 77 LYS CD C 13 25.116 0.20 . . . . . . . 77 LYS CD . 15624 1 897 . 1 . 1 77 77 LYS CE C 13 42.098 0.20 . . . . . . . 77 LYS CE . 15624 1 898 . 1 . 1 77 77 LYS CG C 13 25.188 0.20 . . . . . . . 77 LYS CG . 15624 1 899 . 1 . 1 77 77 LYS N N 15 121.572 0.10 . . . . . . . 77 LYS N . 15624 1 900 . 1 . 1 78 78 ASP H H 1 8.554 0.02 . . . . . . . 78 ASP H . 15624 1 901 . 1 . 1 78 78 ASP HA H 1 4.598 0.02 . . . . . . . 78 ASP HA . 15624 1 902 . 1 . 1 78 78 ASP HB2 H 1 2.802 0.02 . . . . . . . 78 ASP HB2 . 15624 1 903 . 1 . 1 78 78 ASP HB3 H 1 2.878 0.02 . . . . . . . 78 ASP HB3 . 15624 1 904 . 1 . 1 78 78 ASP C C 13 177.386 0.10 . . . . . . . 78 ASP C . 15624 1 905 . 1 . 1 78 78 ASP CA C 13 56.276 0.20 . . . . . . . 78 ASP CA . 15624 1 906 . 1 . 1 78 78 ASP CB C 13 40.496 0.20 . . . . . . . 78 ASP CB . 15624 1 907 . 1 . 1 78 78 ASP N N 15 122.100 0.10 . . . . . . . 78 ASP N . 15624 1 908 . 1 . 1 79 79 THR H H 1 8.135 0.02 . . . . . . . 79 THR H . 15624 1 909 . 1 . 1 79 79 THR HA H 1 4.248 0.02 . . . . . . . 79 THR HA . 15624 1 910 . 1 . 1 79 79 THR HB H 1 4.251 0.02 . . . . . . . 79 THR HB . 15624 1 911 . 1 . 1 79 79 THR HG21 H 1 1.265 0.02 . . . . . . . 79 THR QG2 . 15624 1 912 . 1 . 1 79 79 THR HG22 H 1 1.265 0.02 . . . . . . . 79 THR QG2 . 15624 1 913 . 1 . 1 79 79 THR HG23 H 1 1.265 0.02 . . . . . . . 79 THR QG2 . 15624 1 914 . 1 . 1 79 79 THR C C 13 175.534 0.10 . . . . . . . 79 THR C . 15624 1 915 . 1 . 1 79 79 THR CA C 13 63.395 0.20 . . . . . . . 79 THR CA . 15624 1 916 . 1 . 1 79 79 THR CB C 13 66.334 0.20 . . . . . . . 79 THR CB . 15624 1 917 . 1 . 1 79 79 THR CG2 C 13 22.121 0.20 . . . . . . . 79 THR CG2 . 15624 1 918 . 1 . 1 79 79 THR N N 15 117.910 0.10 . . . . . . . 79 THR N . 15624 1 919 . 1 . 1 80 80 ASP H H 1 7.619 0.02 . . . . . . . 80 ASP H . 15624 1 920 . 1 . 1 80 80 ASP HA H 1 4.620 0.02 . . . . . . . 80 ASP HA . 15624 1 921 . 1 . 1 80 80 ASP HB2 H 1 2.715 0.02 . . . . . . . 80 ASP HB2 . 15624 1 922 . 1 . 1 80 80 ASP C C 13 177.577 0.10 . . . . . . . 80 ASP C . 15624 1 923 . 1 . 1 80 80 ASP CA C 13 55.715 0.20 . . . . . . . 80 ASP CA . 15624 1 924 . 1 . 1 80 80 ASP CB C 13 41.353 0.20 . . . . . . . 80 ASP CB . 15624 1 925 . 1 . 1 80 80 ASP N N 15 122.686 0.10 . . . . . . . 80 ASP N . 15624 1 926 . 1 . 1 81 81 SER H H 1 8.323 0.02 . . . . . . . 81 SER H . 15624 1 927 . 1 . 1 81 81 SER HA H 1 4.154 0.02 . . . . . . . 81 SER HA . 15624 1 928 . 1 . 1 81 81 SER HB2 H 1 3.947 0.02 . . . . . . . 81 SER HB2 . 15624 1 929 . 1 . 1 81 81 SER HB3 H 1 3.947 0.02 . . . . . . . 81 SER HB3 . 15624 1 930 . 1 . 1 81 81 SER C C 13 176.773 0.10 . . . . . . . 81 SER C . 15624 1 931 . 1 . 1 81 81 SER CA C 13 61.139 0.20 . . . . . . . 81 SER CA . 15624 1 932 . 1 . 1 81 81 SER CB C 13 62.384 0.20 . . . . . . . 81 SER CB . 15624 1 933 . 1 . 1 81 81 SER N N 15 116.269 0.10 . . . . . . . 81 SER N . 15624 1 934 . 1 . 1 82 82 GLU H H 1 8.247 0.02 . . . . . . . 82 GLU H . 15624 1 935 . 1 . 1 82 82 GLU HA H 1 4.080 0.02 . . . . . . . 82 GLU HA . 15624 1 936 . 1 . 1 82 82 GLU HB2 H 1 2.119 0.02 . . . . . . . 82 GLU HB2 . 15624 1 937 . 1 . 1 82 82 GLU HG2 H 1 2.352 0.02 . . . . . . . 82 GLU HG2 . 15624 1 938 . 1 . 1 82 82 GLU C C 13 178.762 0.10 . . . . . . . 82 GLU C . 15624 1 939 . 1 . 1 82 82 GLU CA C 13 59.409 0.20 . . . . . . . 82 GLU CA . 15624 1 940 . 1 . 1 82 82 GLU CB C 13 29.059 0.20 . . . . . . . 82 GLU CB . 15624 1 941 . 1 . 1 82 82 GLU CG C 13 36.528 0.20 . . . . . . . 82 GLU CG . 15624 1 942 . 1 . 1 82 82 GLU N N 15 121.191 0.10 . . . . . . . 82 GLU N . 15624 1 943 . 1 . 1 83 83 GLU H H 1 7.936 0.02 . . . . . . . 83 GLU H . 15624 1 944 . 1 . 1 83 83 GLU HA H 1 4.124 0.02 . . . . . . . 83 GLU HA . 15624 1 945 . 1 . 1 83 83 GLU HB2 H 1 2.142 0.02 . . . . . . . 83 GLU HB2 . 15624 1 946 . 1 . 1 83 83 GLU HB3 H 1 2.403 0.02 . . . . . . . 83 GLU HB3 . 15624 1 947 . 1 . 1 83 83 GLU HG2 H 1 2.359 0.02 . . . . . . . 83 GLU HG2 . 15624 1 948 . 1 . 1 83 83 GLU HG3 H 1 2.482 0.02 . . . . . . . 83 GLU HG3 . 15624 1 949 . 1 . 1 83 83 GLU C C 13 179.224 0.10 . . . . . . . 83 GLU C . 15624 1 950 . 1 . 1 83 83 GLU CA C 13 59.313 0.20 . . . . . . . 83 GLU CA . 15624 1 951 . 1 . 1 83 83 GLU CB C 13 29.232 0.20 . . . . . . . 83 GLU CB . 15624 1 952 . 1 . 1 83 83 GLU CG C 13 36.190 0.20 . . . . . . . 83 GLU CG . 15624 1 953 . 1 . 1 83 83 GLU N N 15 118.701 0.10 . . . . . . . 83 GLU N . 15624 1 954 . 1 . 1 84 84 GLU H H 1 7.947 0.02 . . . . . . . 84 GLU H . 15624 1 955 . 1 . 1 84 84 GLU HA H 1 3.880 0.02 . . . . . . . 84 GLU HA . 15624 1 956 . 1 . 1 84 84 GLU HB2 H 1 2.345 0.02 . . . . . . . 84 GLU HB2 . 15624 1 957 . 1 . 1 84 84 GLU HB3 H 1 1.913 0.02 . . . . . . . 84 GLU HB3 . 15624 1 958 . 1 . 1 84 84 GLU HG2 H 1 2.605 0.02 . . . . . . . 84 GLU HG2 . 15624 1 959 . 1 . 1 84 84 GLU HG3 H 1 2.171 0.02 . . . . . . . 84 GLU HG3 . 15624 1 960 . 1 . 1 84 84 GLU C C 13 178.669 0.10 . . . . . . . 84 GLU C . 15624 1 961 . 1 . 1 84 84 GLU CA C 13 59.525 0.20 . . . . . . . 84 GLU CA . 15624 1 962 . 1 . 1 84 84 GLU CB C 13 29.628 0.20 . . . . . . . 84 GLU CB . 15624 1 963 . 1 . 1 84 84 GLU CG C 13 37.215 0.20 . . . . . . . 84 GLU CG . 15624 1 964 . 1 . 1 84 84 GLU N N 15 117.705 0.10 . . . . . . . 84 GLU N . 15624 1 965 . 1 . 1 85 85 ILE H H 1 7.683 0.02 . . . . . . . 85 ILE H . 15624 1 966 . 1 . 1 85 85 ILE HA H 1 3.905 0.02 . . . . . . . 85 ILE HA . 15624 1 967 . 1 . 1 85 85 ILE HB H 1 2.297 0.02 . . . . . . . 85 ILE HB . 15624 1 968 . 1 . 1 85 85 ILE HD11 H 1 0.792 0.02 . . . . . . . 85 ILE QD1 . 15624 1 969 . 1 . 1 85 85 ILE HD12 H 1 0.792 0.02 . . . . . . . 85 ILE QD1 . 15624 1 970 . 1 . 1 85 85 ILE HD13 H 1 0.792 0.02 . . . . . . . 85 ILE QD1 . 15624 1 971 . 1 . 1 85 85 ILE HG12 H 1 1.831 0.02 . . . . . . . 85 ILE HG12 . 15624 1 972 . 1 . 1 85 85 ILE HG13 H 1 1.143 0.02 . . . . . . . 85 ILE HG13 . 15624 1 973 . 1 . 1 85 85 ILE HG21 H 1 1.107 0.02 . . . . . . . 85 ILE QG2 . 15624 1 974 . 1 . 1 85 85 ILE HG22 H 1 1.107 0.02 . . . . . . . 85 ILE QG2 . 15624 1 975 . 1 . 1 85 85 ILE HG23 H 1 1.107 0.02 . . . . . . . 85 ILE QG2 . 15624 1 976 . 1 . 1 85 85 ILE C C 13 178.334 0.10 . . . . . . . 85 ILE C . 15624 1 977 . 1 . 1 85 85 ILE CA C 13 64.694 0.20 . . . . . . . 85 ILE CA . 15624 1 978 . 1 . 1 85 85 ILE CB C 13 36.762 0.20 . . . . . . . 85 ILE CB . 15624 1 979 . 1 . 1 85 85 ILE CD1 C 13 12.471 0.20 . . . . . . . 85 ILE CD1 . 15624 1 980 . 1 . 1 85 85 ILE CG1 C 13 29.307 0.20 . . . . . . . 85 ILE CG1 . 15624 1 981 . 1 . 1 85 85 ILE CG2 C 13 19.306 0.20 . . . . . . . 85 ILE CG2 . 15624 1 982 . 1 . 1 85 85 ILE N N 15 119.609 0.10 . . . . . . . 85 ILE N . 15624 1 983 . 1 . 1 86 86 ARG H H 1 8.563 0.02 . . . . . . . 86 ARG H . 15624 1 984 . 1 . 1 86 86 ARG HA H 1 4.180 0.02 . . . . . . . 86 ARG HA . 15624 1 985 . 1 . 1 86 86 ARG HB2 H 1 2.121 0.02 . . . . . . . 86 ARG HB2 . 15624 1 986 . 1 . 1 86 86 ARG HB3 H 1 1.972 0.02 . . . . . . . 86 ARG HB3 . 15624 1 987 . 1 . 1 86 86 ARG HD2 H 1 3.031 0.02 . . . . . . . 86 ARG HD2 . 15624 1 988 . 1 . 1 86 86 ARG HD3 H 1 2.997 0.02 . . . . . . . 86 ARG HD3 . 15624 1 989 . 1 . 1 86 86 ARG HE H 1 7.217 0.02 . . . . . . . 86 ARG HE . 15624 1 990 . 1 . 1 86 86 ARG HG2 H 1 1.529 0.02 . . . . . . . 86 ARG HG2 . 15624 1 991 . 1 . 1 86 86 ARG HG3 H 1 1.421 0.02 . . . . . . . 86 ARG HG3 . 15624 1 992 . 1 . 1 86 86 ARG C C 13 179.359 0.10 . . . . . . . 86 ARG C . 15624 1 993 . 1 . 1 86 86 ARG CA C 13 60.182 0.20 . . . . . . . 86 ARG CA . 15624 1 994 . 1 . 1 86 86 ARG CB C 13 29.750 0.20 . . . . . . . 86 ARG CB . 15624 1 995 . 1 . 1 86 86 ARG CD C 13 43.094 0.20 . . . . . . . 86 ARG CD . 15624 1 996 . 1 . 1 86 86 ARG CG C 13 27.167 0.20 . . . . . . . 86 ARG CG . 15624 1 997 . 1 . 1 86 86 ARG N N 15 122.129 0.10 . . . . . . . 86 ARG N . 15624 1 998 . 1 . 1 86 86 ARG NE N 15 114.208 0.10 . . . . . . . 86 ARG NE . 15624 1 999 . 1 . 1 87 87 GLU H H 1 8.258 0.02 . . . . . . . 87 GLU H . 15624 1 1000 . 1 . 1 87 87 GLU HA H 1 4.234 0.02 . . . . . . . 87 GLU HA . 15624 1 1001 . 1 . 1 87 87 GLU HB2 H 1 2.155 0.02 . . . . . . . 87 GLU HB2 . 15624 1 1002 . 1 . 1 87 87 GLU HB3 H 1 2.182 0.02 . . . . . . . 87 GLU HB3 . 15624 1 1003 . 1 . 1 87 87 GLU HG2 H 1 2.583 0.02 . . . . . . . 87 GLU HG2 . 15624 1 1004 . 1 . 1 87 87 GLU HG3 H 1 2.736 0.02 . . . . . . . 87 GLU HG3 . 15624 1 1005 . 1 . 1 87 87 GLU C C 13 179.568 0.10 . . . . . . . 87 GLU C . 15624 1 1006 . 1 . 1 87 87 GLU CA C 13 58.610 0.20 . . . . . . . 87 GLU CA . 15624 1 1007 . 1 . 1 87 87 GLU CB C 13 28.831 0.20 . . . . . . . 87 GLU CB . 15624 1 1008 . 1 . 1 87 87 GLU CG C 13 35.916 0.20 . . . . . . . 87 GLU CG . 15624 1 1009 . 1 . 1 87 87 GLU N N 15 117.412 0.10 . . . . . . . 87 GLU N . 15624 1 1010 . 1 . 1 88 88 ALA H H 1 8.098 0.02 . . . . . . . 88 ALA H . 15624 1 1011 . 1 . 1 88 88 ALA HA H 1 3.893 0.02 . . . . . . . 88 ALA HA . 15624 1 1012 . 1 . 1 88 88 ALA HB1 H 1 1.676 0.02 . . . . . . . 88 ALA QB . 15624 1 1013 . 1 . 1 88 88 ALA HB2 H 1 1.676 0.02 . . . . . . . 88 ALA QB . 15624 1 1014 . 1 . 1 88 88 ALA HB3 H 1 1.676 0.02 . . . . . . . 88 ALA QB . 15624 1 1015 . 1 . 1 88 88 ALA C C 13 178.317 0.10 . . . . . . . 88 ALA C . 15624 1 1016 . 1 . 1 88 88 ALA CA C 13 55.534 0.20 . . . . . . . 88 ALA CA . 15624 1 1017 . 1 . 1 88 88 ALA CB C 13 17.666 0.20 . . . . . . . 88 ALA CB . 15624 1 1018 . 1 . 1 88 88 ALA N N 15 120.738 0.10 . . . . . . . 88 ALA N . 15624 1 1019 . 1 . 1 89 89 PHE H H 1 8.610 0.02 . . . . . . . 89 PHE H . 15624 1 1020 . 1 . 1 89 89 PHE HA H 1 3.126 0.02 . . . . . . . 89 PHE HA . 15624 1 1021 . 1 . 1 89 89 PHE HB2 H 1 3.359 0.02 . . . . . . . 89 PHE HB2 . 15624 1 1022 . 1 . 1 89 89 PHE HB3 H 1 2.989 0.02 . . . . . . . 89 PHE HB3 . 15624 1 1023 . 1 . 1 89 89 PHE HD1 H 1 6.311 0.02 . . . . . . . 89 PHE HD1 . 15624 1 1024 . 1 . 1 89 89 PHE HD2 H 1 6.311 0.02 . . . . . . . 89 PHE HD2 . 15624 1 1025 . 1 . 1 89 89 PHE HE1 H 1 6.536 0.02 . . . . . . . 89 PHE HE1 . 15624 1 1026 . 1 . 1 89 89 PHE HE2 H 1 6.536 0.02 . . . . . . . 89 PHE HE2 . 15624 1 1027 . 1 . 1 89 89 PHE C C 13 176.547 0.10 . . . . . . . 89 PHE C . 15624 1 1028 . 1 . 1 89 89 PHE CA C 13 62.506 0.20 . . . . . . . 89 PHE CA . 15624 1 1029 . 1 . 1 89 89 PHE CB C 13 38.856 0.20 . . . . . . . 89 PHE CB . 15624 1 1030 . 1 . 1 89 89 PHE N N 15 118.379 0.10 . . . . . . . 89 PHE N . 15624 1 1031 . 1 . 1 90 90 ARG H H 1 7.824 0.02 . . . . . . . 90 ARG H . 15624 1 1032 . 1 . 1 90 90 ARG HA H 1 3.919 0.02 . . . . . . . 90 ARG HA . 15624 1 1033 . 1 . 1 90 90 ARG HB2 H 1 1.992 0.02 . . . . . . . 90 ARG HB2 . 15624 1 1034 . 1 . 1 90 90 ARG HD2 H 1 3.230 0.02 . . . . . . . 90 ARG HD2 . 15624 1 1035 . 1 . 1 90 90 ARG HE H 1 7.311 0.02 . . . . . . . 90 ARG HE . 15624 1 1036 . 1 . 1 90 90 ARG HG2 H 1 1.828 0.02 . . . . . . . 90 ARG HG2 . 15624 1 1037 . 1 . 1 90 90 ARG HG3 H 1 1.705 0.02 . . . . . . . 90 ARG HG3 . 15624 1 1038 . 1 . 1 90 90 ARG C C 13 178.691 0.10 . . . . . . . 90 ARG C . 15624 1 1039 . 1 . 1 90 90 ARG CA C 13 58.952 0.20 . . . . . . . 90 ARG CA . 15624 1 1040 . 1 . 1 90 90 ARG CB C 13 29.901 0.20 . . . . . . . 90 ARG CB . 15624 1 1041 . 1 . 1 90 90 ARG CD C 13 43.547 0.20 . . . . . . . 90 ARG CD . 15624 1 1042 . 1 . 1 90 90 ARG CG C 13 27.782 0.20 . . . . . . . 90 ARG CG . 15624 1 1043 . 1 . 1 90 90 ARG N N 15 115.771 0.10 . . . . . . . 90 ARG N . 15624 1 1044 . 1 . 1 90 90 ARG NE N 15 114.722 0.10 . . . . . . . 90 ARG NE . 15624 1 1045 . 1 . 1 91 91 VAL H H 1 7.496 0.02 . . . . . . . 91 VAL H . 15624 1 1046 . 1 . 1 91 91 VAL HA H 1 3.590 0.02 . . . . . . . 91 VAL HA . 15624 1 1047 . 1 . 1 91 91 VAL HB H 1 2.234 0.02 . . . . . . . 91 VAL HB . 15624 1 1048 . 1 . 1 91 91 VAL HG11 H 1 0.990 0.02 . . . . . . . 91 VAL QG1 . 15624 1 1049 . 1 . 1 91 91 VAL HG12 H 1 0.990 0.02 . . . . . . . 91 VAL QG1 . 15624 1 1050 . 1 . 1 91 91 VAL HG13 H 1 0.990 0.02 . . . . . . . 91 VAL QG1 . 15624 1 1051 . 1 . 1 91 91 VAL HG21 H 1 0.800 0.02 . . . . . . . 91 VAL QG2 . 15624 1 1052 . 1 . 1 91 91 VAL HG22 H 1 0.800 0.02 . . . . . . . 91 VAL QG2 . 15624 1 1053 . 1 . 1 91 91 VAL HG23 H 1 0.800 0.02 . . . . . . . 91 VAL QG2 . 15624 1 1054 . 1 . 1 91 91 VAL C C 13 177.252 0.10 . . . . . . . 91 VAL C . 15624 1 1055 . 1 . 1 91 91 VAL CA C 13 65.446 0.20 . . . . . . . 91 VAL CA . 15624 1 1056 . 1 . 1 91 91 VAL CB C 13 31.337 0.20 . . . . . . . 91 VAL CB . 15624 1 1057 . 1 . 1 91 91 VAL CG1 C 13 22.519 0.20 . . . . . . . 91 VAL CG1 . 15624 1 1058 . 1 . 1 91 91 VAL N N 15 117.412 0.10 . . . . . . . 91 VAL N . 15624 1 1059 . 1 . 1 92 92 PHE H H 1 7.455 0.02 . . . . . . . 92 PHE H . 15624 1 1060 . 1 . 1 92 92 PHE HA H 1 4.224 0.02 . . . . . . . 92 PHE HA . 15624 1 1061 . 1 . 1 92 92 PHE HB2 H 1 2.711 0.02 . . . . . . . 92 PHE HB2 . 15624 1 1062 . 1 . 1 92 92 PHE HD1 H 1 6.996 0.02 . . . . . . . 92 PHE HD1 . 15624 1 1063 . 1 . 1 92 92 PHE HD2 H 1 6.996 0.02 . . . . . . . 92 PHE HD2 . 15624 1 1064 . 1 . 1 92 92 PHE HE1 H 1 7.358 0.02 . . . . . . . 92 PHE HE1 . 15624 1 1065 . 1 . 1 92 92 PHE HE2 H 1 7.358 0.02 . . . . . . . 92 PHE HE2 . 15624 1 1066 . 1 . 1 92 92 PHE HZ H 1 7.265 0.02 . . . . . . . 92 PHE HZ . 15624 1 1067 . 1 . 1 92 92 PHE C C 13 176.754 0.10 . . . . . . . 92 PHE C . 15624 1 1068 . 1 . 1 92 92 PHE CA C 13 59.499 0.20 . . . . . . . 92 PHE CA . 15624 1 1069 . 1 . 1 92 92 PHE CB C 13 39.744 0.20 . . . . . . . 92 PHE CB . 15624 1 1070 . 1 . 1 92 92 PHE N N 15 116.503 0.10 . . . . . . . 92 PHE N . 15624 1 1071 . 1 . 1 93 93 ASP H H 1 7.818 0.02 . . . . . . . 93 ASP H . 15624 1 1072 . 1 . 1 93 93 ASP HA H 1 4.551 0.02 . . . . . . . 93 ASP HA . 15624 1 1073 . 1 . 1 93 93 ASP HB2 H 1 2.403 0.02 . . . . . . . 93 ASP HB2 . 15624 1 1074 . 1 . 1 93 93 ASP HB3 H 1 1.440 0.02 . . . . . . . 93 ASP HB3 . 15624 1 1075 . 1 . 1 93 93 ASP C C 13 177.646 0.10 . . . . . . . 93 ASP C . 15624 1 1076 . 1 . 1 93 93 ASP CA C 13 52.271 0.20 . . . . . . . 93 ASP CA . 15624 1 1077 . 1 . 1 93 93 ASP CB C 13 38.104 0.20 . . . . . . . 93 ASP CB . 15624 1 1078 . 1 . 1 93 93 ASP N N 15 116.650 0.10 . . . . . . . 93 ASP N . 15624 1 1079 . 1 . 1 94 94 LYS H H 1 7.777 0.02 . . . . . . . 94 LYS H . 15624 1 1080 . 1 . 1 94 94 LYS HA H 1 3.961 0.02 . . . . . . . 94 LYS HA . 15624 1 1081 . 1 . 1 94 94 LYS HB2 H 1 1.878 0.02 . . . . . . . 94 LYS HB2 . 15624 1 1082 . 1 . 1 94 94 LYS HD2 H 1 1.696 0.02 . . . . . . . 94 LYS HD2 . 15624 1 1083 . 1 . 1 94 94 LYS HD3 H 1 1.673 0.02 . . . . . . . 94 LYS HD3 . 15624 1 1084 . 1 . 1 94 94 LYS HE2 H 1 2.970 0.02 . . . . . . . 94 LYS HE2 . 15624 1 1085 . 1 . 1 94 94 LYS HE3 H 1 2.970 0.02 . . . . . . . 94 LYS HE3 . 15624 1 1086 . 1 . 1 94 94 LYS HG2 H 1 1.532 0.02 . . . . . . . 94 LYS HG2 . 15624 1 1087 . 1 . 1 94 94 LYS HG3 H 1 1.532 0.02 . . . . . . . 94 LYS HG3 . 15624 1 1088 . 1 . 1 94 94 LYS C C 13 178.419 0.10 . . . . . . . 94 LYS C . 15624 1 1089 . 1 . 1 94 94 LYS CA C 13 59.032 0.20 . . . . . . . 94 LYS CA . 15624 1 1090 . 1 . 1 94 94 LYS CB C 13 32.555 0.20 . . . . . . . 94 LYS CB . 15624 1 1091 . 1 . 1 94 94 LYS CD C 13 28.184 0.20 . . . . . . . 94 LYS CD . 15624 1 1092 . 1 . 1 94 94 LYS CE C 13 42.143 0.20 . . . . . . . 94 LYS CE . 15624 1 1093 . 1 . 1 94 94 LYS CG C 13 24.091 0.20 . . . . . . . 94 LYS CG . 15624 1 1094 . 1 . 1 94 94 LYS N N 15 126.495 0.10 . . . . . . . 94 LYS N . 15624 1 1095 . 1 . 1 95 95 ASP H H 1 8.153 0.02 . . . . . . . 95 ASP H . 15624 1 1096 . 1 . 1 95 95 ASP HA H 1 4.586 0.02 . . . . . . . 95 ASP HA . 15624 1 1097 . 1 . 1 95 95 ASP HB2 H 1 3.090 0.02 . . . . . . . 95 ASP HB2 . 15624 1 1098 . 1 . 1 95 95 ASP HB3 H 1 2.658 0.02 . . . . . . . 95 ASP HB3 . 15624 1 1099 . 1 . 1 95 95 ASP C C 13 177.848 0.10 . . . . . . . 95 ASP C . 15624 1 1100 . 1 . 1 95 95 ASP CA C 13 52.868 0.20 . . . . . . . 95 ASP CA . 15624 1 1101 . 1 . 1 95 95 ASP CB C 13 39.569 0.20 . . . . . . . 95 ASP CB . 15624 1 1102 . 1 . 1 95 95 ASP N N 15 114.042 0.10 . . . . . . . 95 ASP N . 15624 1 1103 . 1 . 1 96 96 GLY H H 1 7.824 0.02 . . . . . . . 96 GLY H . 15624 1 1104 . 1 . 1 96 96 GLY HA2 H 1 3.907 0.02 . . . . . . . 96 GLY HA2 . 15624 1 1105 . 1 . 1 96 96 GLY HA3 H 1 3.866 0.02 . . . . . . . 96 GLY HA3 . 15624 1 1106 . 1 . 1 96 96 GLY C C 13 175.313 0.10 . . . . . . . 96 GLY C . 15624 1 1107 . 1 . 1 96 96 GLY CA C 13 47.195 0.20 . . . . . . . 96 GLY CA . 15624 1 1108 . 1 . 1 96 96 GLY N N 15 109.354 0.10 . . . . . . . 96 GLY N . 15624 1 1109 . 1 . 1 97 97 ASN H H 1 8.323 0.02 . . . . . . . 97 ASN H . 15624 1 1110 . 1 . 1 97 97 ASN HA H 1 4.641 0.02 . . . . . . . 97 ASN HA . 15624 1 1111 . 1 . 1 97 97 ASN HB2 H 1 3.428 0.02 . . . . . . . 97 ASN HB2 . 15624 1 1112 . 1 . 1 97 97 ASN HB3 H 1 2.667 0.02 . . . . . . . 97 ASN HB3 . 15624 1 1113 . 1 . 1 97 97 ASN C C 13 176.203 0.10 . . . . . . . 97 ASN C . 15624 1 1114 . 1 . 1 97 97 ASN CA C 13 52.699 0.20 . . . . . . . 97 ASN CA . 15624 1 1115 . 1 . 1 97 97 ASN CB C 13 38.142 0.20 . . . . . . . 97 ASN CB . 15624 1 1116 . 1 . 1 97 97 ASN N N 15 119.404 0.10 . . . . . . . 97 ASN N . 15624 1 1117 . 1 . 1 98 98 GLY H H 1 10.696 0.02 . . . . . . . 98 GLY H . 15624 1 1118 . 1 . 1 98 98 GLY HA2 H 1 4.053 0.02 . . . . . . . 98 GLY HA2 . 15624 1 1119 . 1 . 1 98 98 GLY HA3 H 1 3.404 0.02 . . . . . . . 98 GLY HA3 . 15624 1 1120 . 1 . 1 98 98 GLY C C 13 172.718 0.10 . . . . . . . 98 GLY C . 15624 1 1121 . 1 . 1 98 98 GLY CA C 13 45.076 0.20 . . . . . . . 98 GLY CA . 15624 1 1122 . 1 . 1 98 98 GLY N N 15 112.853 0.10 . . . . . . . 98 GLY N . 15624 1 1123 . 1 . 1 99 99 TYR H H 1 7.642 0.02 . . . . . . . 99 TYR H . 15624 1 1124 . 1 . 1 99 99 TYR HA H 1 5.066 0.02 . . . . . . . 99 TYR HA . 15624 1 1125 . 1 . 1 99 99 TYR HB2 H 1 2.514 0.02 . . . . . . . 99 TYR HB2 . 15624 1 1126 . 1 . 1 99 99 TYR HD1 H 1 6.766 0.02 . . . . . . . 99 TYR HD1 . 15624 1 1127 . 1 . 1 99 99 TYR HD2 H 1 6.766 0.02 . . . . . . . 99 TYR HD2 . 15624 1 1128 . 1 . 1 99 99 TYR HE1 H 1 6.947 0.02 . . . . . . . 99 TYR HE1 . 15624 1 1129 . 1 . 1 99 99 TYR HE2 H 1 6.947 0.02 . . . . . . . 99 TYR HE2 . 15624 1 1130 . 1 . 1 99 99 TYR C C 13 174.926 0.10 . . . . . . . 99 TYR C . 15624 1 1131 . 1 . 1 99 99 TYR CA C 13 56.013 0.20 . . . . . . . 99 TYR CA . 15624 1 1132 . 1 . 1 99 99 TYR CB C 13 42.957 0.20 . . . . . . . 99 TYR CB . 15624 1 1133 . 1 . 1 99 99 TYR N N 15 115.859 0.10 . . . . . . . 99 TYR N . 15624 1 1134 . 1 . 1 100 100 ILE H H 1 10.089 0.02 . . . . . . . 100 ILE H . 15624 1 1135 . 1 . 1 100 100 ILE HA H 1 4.804 0.02 . . . . . . . 100 ILE HA . 15624 1 1136 . 1 . 1 100 100 ILE HB H 1 1.811 0.02 . . . . . . . 100 ILE HB . 15624 1 1137 . 1 . 1 100 100 ILE HD11 H 1 0.278 0.02 . . . . . . . 100 ILE QD1 . 15624 1 1138 . 1 . 1 100 100 ILE HD12 H 1 0.278 0.02 . . . . . . . 100 ILE QD1 . 15624 1 1139 . 1 . 1 100 100 ILE HD13 H 1 0.278 0.02 . . . . . . . 100 ILE QD1 . 15624 1 1140 . 1 . 1 100 100 ILE HG12 H 1 1.150 0.02 . . . . . . . 100 ILE HG12 . 15624 1 1141 . 1 . 1 100 100 ILE HG13 H 1 0.931 0.02 . . . . . . . 100 ILE HG13 . 15624 1 1142 . 1 . 1 100 100 ILE HG21 H 1 1.150 0.02 . . . . . . . 100 ILE QG2 . 15624 1 1143 . 1 . 1 100 100 ILE HG22 H 1 1.150 0.02 . . . . . . . 100 ILE QG2 . 15624 1 1144 . 1 . 1 100 100 ILE HG23 H 1 1.150 0.02 . . . . . . . 100 ILE QG2 . 15624 1 1145 . 1 . 1 100 100 ILE C C 13 175.756 0.10 . . . . . . . 100 ILE C . 15624 1 1146 . 1 . 1 100 100 ILE CA C 13 60.708 0.20 . . . . . . . 100 ILE CA . 15624 1 1147 . 1 . 1 100 100 ILE CB C 13 38.719 0.20 . . . . . . . 100 ILE CB . 15624 1 1148 . 1 . 1 100 100 ILE CD1 C 13 15.273 0.20 . . . . . . . 100 ILE CD1 . 15624 1 1149 . 1 . 1 100 100 ILE CG1 C 13 26.962 0.20 . . . . . . . 100 ILE CG1 . 15624 1 1150 . 1 . 1 100 100 ILE CG2 C 13 17.939 0.20 . . . . . . . 100 ILE CG2 . 15624 1 1151 . 1 . 1 100 100 ILE N N 15 127.110 0.10 . . . . . . . 100 ILE N . 15624 1 1152 . 1 . 1 101 101 SER H H 1 9.009 0.02 . . . . . . . 101 SER H . 15624 1 1153 . 1 . 1 101 101 SER HA H 1 4.850 0.02 . . . . . . . 101 SER HA . 15624 1 1154 . 1 . 1 101 101 SER HB2 H 1 4.455 0.02 . . . . . . . 101 SER HB2 . 15624 1 1155 . 1 . 1 101 101 SER HB3 H 1 4.012 0.02 . . . . . . . 101 SER HB3 . 15624 1 1156 . 1 . 1 101 101 SER C C 13 175.354 0.10 . . . . . . . 101 SER C . 15624 1 1157 . 1 . 1 101 101 SER CA C 13 55.808 0.20 . . . . . . . 101 SER CA . 15624 1 1158 . 1 . 1 101 101 SER CB C 13 66.608 0.20 . . . . . . . 101 SER CB . 15624 1 1159 . 1 . 1 101 101 SER N N 15 124.034 0.10 . . . . . . . 101 SER N . 15624 1 1160 . 1 . 1 102 102 ALA H H 1 9.262 0.02 . . . . . . . 102 ALA H . 15624 1 1161 . 1 . 1 102 102 ALA HA H 1 3.938 0.02 . . . . . . . 102 ALA HA . 15624 1 1162 . 1 . 1 102 102 ALA HB1 H 1 1.483 0.02 . . . . . . . 102 ALA QB . 15624 1 1163 . 1 . 1 102 102 ALA HB2 H 1 1.483 0.02 . . . . . . . 102 ALA QB . 15624 1 1164 . 1 . 1 102 102 ALA HB3 H 1 1.483 0.02 . . . . . . . 102 ALA QB . 15624 1 1165 . 1 . 1 102 102 ALA C C 13 179.500 0.10 . . . . . . . 102 ALA C . 15624 1 1166 . 1 . 1 102 102 ALA CA C 13 56.013 0.20 . . . . . . . 102 ALA CA . 15624 1 1167 . 1 . 1 102 102 ALA CB C 13 18.007 0.20 . . . . . . . 102 ALA CB . 15624 1 1168 . 1 . 1 102 102 ALA N N 15 123.125 0.10 . . . . . . . 102 ALA N . 15624 1 1169 . 1 . 1 103 103 ALA H H 1 8.194 0.02 . . . . . . . 103 ALA H . 15624 1 1170 . 1 . 1 103 103 ALA HA H 1 4.062 0.02 . . . . . . . 103 ALA HA . 15624 1 1171 . 1 . 1 103 103 ALA HB1 H 1 1.434 0.02 . . . . . . . 103 ALA QB . 15624 1 1172 . 1 . 1 103 103 ALA HB2 H 1 1.434 0.02 . . . . . . . 103 ALA QB . 15624 1 1173 . 1 . 1 103 103 ALA HB3 H 1 1.434 0.02 . . . . . . . 103 ALA QB . 15624 1 1174 . 1 . 1 103 103 ALA C C 13 181.599 0.10 . . . . . . . 103 ALA C . 15624 1 1175 . 1 . 1 103 103 ALA CA C 13 55.261 0.20 . . . . . . . 103 ALA CA . 15624 1 1176 . 1 . 1 103 103 ALA CB C 13 18.349 0.20 . . . . . . . 103 ALA CB . 15624 1 1177 . 1 . 1 103 103 ALA N N 15 118.320 0.10 . . . . . . . 103 ALA N . 15624 1 1178 . 1 . 1 104 104 GLU H H 1 7.890 0.02 . . . . . . . 104 GLU H . 15624 1 1179 . 1 . 1 104 104 GLU HA H 1 4.035 0.02 . . . . . . . 104 GLU HA . 15624 1 1180 . 1 . 1 104 104 GLU HB2 H 1 2.556 0.02 . . . . . . . 104 GLU HB2 . 15624 1 1181 . 1 . 1 104 104 GLU HG2 H 1 2.584 0.02 . . . . . . . 104 GLU HG2 . 15624 1 1182 . 1 . 1 104 104 GLU HG3 H 1 2.321 0.02 . . . . . . . 104 GLU HG3 . 15624 1 1183 . 1 . 1 104 104 GLU C C 13 179.177 0.10 . . . . . . . 104 GLU C . 15624 1 1184 . 1 . 1 104 104 GLU CA C 13 59.553 0.20 . . . . . . . 104 GLU CA . 15624 1 1185 . 1 . 1 104 104 GLU CB C 13 29.144 0.20 . . . . . . . 104 GLU CB . 15624 1 1186 . 1 . 1 104 104 GLU CG C 13 38.101 0.20 . . . . . . . 104 GLU CG . 15624 1 1187 . 1 . 1 104 104 GLU N N 15 119.990 0.10 . . . . . . . 104 GLU N . 15624 1 1188 . 1 . 1 105 105 LEU H H 1 8.587 0.02 . . . . . . . 105 LEU H . 15624 1 1189 . 1 . 1 105 105 LEU HA H 1 4.105 0.02 . . . . . . . 105 LEU HA . 15624 1 1190 . 1 . 1 105 105 LEU HB2 H 1 1.900 0.02 . . . . . . . 105 LEU HB2 . 15624 1 1191 . 1 . 1 105 105 LEU HB3 H 1 1.559 0.02 . . . . . . . 105 LEU HB3 . 15624 1 1192 . 1 . 1 105 105 LEU HD11 H 1 0.876 0.02 . . . . . . . 105 LEU QD1 . 15624 1 1193 . 1 . 1 105 105 LEU HD12 H 1 0.876 0.02 . . . . . . . 105 LEU QD1 . 15624 1 1194 . 1 . 1 105 105 LEU HD13 H 1 0.876 0.02 . . . . . . . 105 LEU QD1 . 15624 1 1195 . 1 . 1 105 105 LEU C C 13 178.723 0.10 . . . . . . . 105 LEU C . 15624 1 1196 . 1 . 1 105 105 LEU CA C 13 58.593 0.20 . . . . . . . 105 LEU CA . 15624 1 1197 . 1 . 1 105 105 LEU CB C 13 41.590 0.20 . . . . . . . 105 LEU CB . 15624 1 1198 . 1 . 1 105 105 LEU CD1 C 13 24.008 0.20 . . . . . . . 105 LEU CD1 . 15624 1 1199 . 1 . 1 105 105 LEU CG C 13 25.973 0.20 . . . . . . . 105 LEU CG . 15624 1 1200 . 1 . 1 105 105 LEU N N 15 120.254 0.10 . . . . . . . 105 LEU N . 15624 1 1201 . 1 . 1 106 106 ARG H H 1 8.628 0.02 . . . . . . . 106 ARG H . 15624 1 1202 . 1 . 1 106 106 ARG HA H 1 3.826 0.02 . . . . . . . 106 ARG HA . 15624 1 1203 . 1 . 1 106 106 ARG HB2 H 1 1.973 0.02 . . . . . . . 106 ARG HB2 . 15624 1 1204 . 1 . 1 106 106 ARG HD2 H 1 3.260 0.02 . . . . . . . 106 ARG HD2 . 15624 1 1205 . 1 . 1 106 106 ARG HD3 H 1 3.172 0.02 . . . . . . . 106 ARG HD3 . 15624 1 1206 . 1 . 1 106 106 ARG HG2 H 1 1.729 0.02 . . . . . . . 106 ARG HG2 . 15624 1 1207 . 1 . 1 106 106 ARG HG3 H 1 1.646 0.02 . . . . . . . 106 ARG HG3 . 15624 1 1208 . 1 . 1 106 106 ARG C C 13 178.970 0.10 . . . . . . . 106 ARG C . 15624 1 1209 . 1 . 1 106 106 ARG CA C 13 59.977 0.20 . . . . . . . 106 ARG CA . 15624 1 1210 . 1 . 1 106 106 ARG CB C 13 30.619 0.20 . . . . . . . 106 ARG CB . 15624 1 1211 . 1 . 1 106 106 ARG CD C 13 43.758 0.20 . . . . . . . 106 ARG CD . 15624 1 1212 . 1 . 1 106 106 ARG CG C 13 28.267 0.20 . . . . . . . 106 ARG CG . 15624 1 1213 . 1 . 1 106 106 ARG N N 15 117.587 0.10 . . . . . . . 106 ARG N . 15624 1 1214 . 1 . 1 107 107 HIS H H 1 8.077 0.02 . . . . . . . 107 HIS H . 15624 1 1215 . 1 . 1 107 107 HIS HA H 1 4.312 0.02 . . . . . . . 107 HIS HA . 15624 1 1216 . 1 . 1 107 107 HIS HB2 H 1 3.308 0.02 . . . . . . . 107 HIS HB2 . 15624 1 1217 . 1 . 1 107 107 HIS HD2 H 1 6.892 0.02 . . . . . . . 107 HIS HD2 . 15624 1 1218 . 1 . 1 107 107 HIS HE1 H 1 7.807 0.02 . . . . . . . 107 HIS HE1 . 15624 1 1219 . 1 . 1 107 107 HIS C C 13 178.081 0.10 . . . . . . . 107 HIS C . 15624 1 1220 . 1 . 1 107 107 HIS CA C 13 59.909 0.20 . . . . . . . 107 HIS CA . 15624 1 1221 . 1 . 1 107 107 HIS CB C 13 30.721 0.20 . . . . . . . 107 HIS CB . 15624 1 1222 . 1 . 1 107 107 HIS N N 15 119.287 0.10 . . . . . . . 107 HIS N . 15624 1 1223 . 1 . 1 108 108 VAL H H 1 8.194 0.02 . . . . . . . 108 VAL H . 15624 1 1224 . 1 . 1 108 108 VAL HA H 1 3.461 0.02 . . . . . . . 108 VAL HA . 15624 1 1225 . 1 . 1 108 108 VAL HB H 1 1.912 0.02 . . . . . . . 108 VAL HB . 15624 1 1226 . 1 . 1 108 108 VAL HG11 H 1 0.916 0.02 . . . . . . . 108 VAL QG1 . 15624 1 1227 . 1 . 1 108 108 VAL HG12 H 1 0.916 0.02 . . . . . . . 108 VAL QG1 . 15624 1 1228 . 1 . 1 108 108 VAL HG13 H 1 0.916 0.02 . . . . . . . 108 VAL QG1 . 15624 1 1229 . 1 . 1 108 108 VAL HG21 H 1 0.110 0.02 . . . . . . . 108 VAL QG2 . 15624 1 1230 . 1 . 1 108 108 VAL HG22 H 1 0.110 0.02 . . . . . . . 108 VAL QG2 . 15624 1 1231 . 1 . 1 108 108 VAL HG23 H 1 0.110 0.02 . . . . . . . 108 VAL QG2 . 15624 1 1232 . 1 . 1 108 108 VAL C C 13 178.262 0.10 . . . . . . . 108 VAL C . 15624 1 1233 . 1 . 1 108 108 VAL CA C 13 66.813 0.20 . . . . . . . 108 VAL CA . 15624 1 1234 . 1 . 1 108 108 VAL CB C 13 30.997 0.20 . . . . . . . 108 VAL CB . 15624 1 1235 . 1 . 1 108 108 VAL CG1 C 13 23.681 0.20 . . . . . . . 108 VAL CG1 . 15624 1 1236 . 1 . 1 108 108 VAL CG2 C 13 20.605 0.20 . . . . . . . 108 VAL CG2 . 15624 1 1237 . 1 . 1 108 108 VAL N N 15 118.877 0.10 . . . . . . . 108 VAL N . 15624 1 1238 . 1 . 1 109 109 MET H H 1 8.288 0.02 . . . . . . . 109 MET H . 15624 1 1239 . 1 . 1 109 109 MET HA H 1 4.261 0.02 . . . . . . . 109 MET HA . 15624 1 1240 . 1 . 1 109 109 MET HB2 H 1 2.316 0.02 . . . . . . . 109 MET HB2 . 15624 1 1241 . 1 . 1 109 109 MET HB3 H 1 1.989 0.02 . . . . . . . 109 MET HB3 . 15624 1 1242 . 1 . 1 109 109 MET HE1 H 1 2.005 0.02 . . . . . . . 109 MET QE . 15624 1 1243 . 1 . 1 109 109 MET HE2 H 1 2.005 0.02 . . . . . . . 109 MET QE . 15624 1 1244 . 1 . 1 109 109 MET HE3 H 1 2.005 0.02 . . . . . . . 109 MET QE . 15624 1 1245 . 1 . 1 109 109 MET HG2 H 1 2.832 0.02 . . . . . . . 109 MET HG2 . 15624 1 1246 . 1 . 1 109 109 MET HG3 H 1 2.673 0.02 . . . . . . . 109 MET HG3 . 15624 1 1247 . 1 . 1 109 109 MET C C 13 179.225 0.10 . . . . . . . 109 MET C . 15624 1 1248 . 1 . 1 109 109 MET CA C 13 57.840 0.20 . . . . . . . 109 MET CA . 15624 1 1249 . 1 . 1 109 109 MET CB C 13 30.653 0.20 . . . . . . . 109 MET CB . 15624 1 1250 . 1 . 1 109 109 MET CE C 13 17.758 0.20 . . . . . . . 109 MET CE . 15624 1 1251 . 1 . 1 109 109 MET CG C 13 33.866 0.20 . . . . . . . 109 MET CG . 15624 1 1252 . 1 . 1 109 109 MET N N 15 115.654 0.10 . . . . . . . 109 MET N . 15624 1 1253 . 1 . 1 110 110 THR H H 1 8.071 0.02 . . . . . . . 110 THR H . 15624 1 1254 . 1 . 1 110 110 THR HA H 1 4.022 0.02 . . . . . . . 110 THR HA . 15624 1 1255 . 1 . 1 110 110 THR HB H 1 4.263 0.02 . . . . . . . 110 THR HB . 15624 1 1256 . 1 . 1 110 110 THR HG21 H 1 1.233 0.02 . . . . . . . 110 THR QG2 . 15624 1 1257 . 1 . 1 110 110 THR HG22 H 1 1.233 0.02 . . . . . . . 110 THR QG2 . 15624 1 1258 . 1 . 1 110 110 THR HG23 H 1 1.233 0.02 . . . . . . . 110 THR QG2 . 15624 1 1259 . 1 . 1 110 110 THR C C 13 178.315 0.10 . . . . . . . 110 THR C . 15624 1 1260 . 1 . 1 110 110 THR CA C 13 66.676 0.20 . . . . . . . 110 THR CA . 15624 1 1261 . 1 . 1 110 110 THR CB C 13 68.863 0.20 . . . . . . . 110 THR CB . 15624 1 1262 . 1 . 1 110 110 THR CG2 C 13 21.562 0.20 . . . . . . . 110 THR CG2 . 15624 1 1263 . 1 . 1 110 110 THR N N 15 115.361 0.10 . . . . . . . 110 THR N . 15624 1 1264 . 1 . 1 111 111 ASN H H 1 7.654 0.02 . . . . . . . 111 ASN H . 15624 1 1265 . 1 . 1 111 111 ASN HA H 1 4.498 0.02 . . . . . . . 111 ASN HA . 15624 1 1266 . 1 . 1 111 111 ASN HB2 H 1 2.695 0.02 . . . . . . . 111 ASN HB2 . 15624 1 1267 . 1 . 1 111 111 ASN C C 13 175.861 0.10 . . . . . . . 111 ASN C . 15624 1 1268 . 1 . 1 111 111 ASN CA C 13 56.081 0.20 . . . . . . . 111 ASN CA . 15624 1 1269 . 1 . 1 111 111 ASN CB C 13 38.445 0.20 . . . . . . . 111 ASN CB . 15624 1 1270 . 1 . 1 111 111 ASN N N 15 122.158 0.10 . . . . . . . 111 ASN N . 15624 1 1271 . 1 . 1 112 112 LEU H H 1 7.807 0.02 . . . . . . . 112 LEU H . 15624 1 1272 . 1 . 1 112 112 LEU HA H 1 4.382 0.02 . . . . . . . 112 LEU HA . 15624 1 1273 . 1 . 1 112 112 LEU HB2 H 1 1.882 0.02 . . . . . . . 112 LEU HB2 . 15624 1 1274 . 1 . 1 112 112 LEU HB3 H 1 1.756 0.02 . . . . . . . 112 LEU HB3 . 15624 1 1275 . 1 . 1 112 112 LEU HD11 H 1 0.863 0.02 . . . . . . . 112 LEU QD1 . 15624 1 1276 . 1 . 1 112 112 LEU HD12 H 1 0.863 0.02 . . . . . . . 112 LEU QD1 . 15624 1 1277 . 1 . 1 112 112 LEU HD13 H 1 0.863 0.02 . . . . . . . 112 LEU QD1 . 15624 1 1278 . 1 . 1 112 112 LEU HD21 H 1 0.786 0.02 . . . . . . . 112 LEU QD2 . 15624 1 1279 . 1 . 1 112 112 LEU HD22 H 1 0.786 0.02 . . . . . . . 112 LEU QD2 . 15624 1 1280 . 1 . 1 112 112 LEU HD23 H 1 0.786 0.02 . . . . . . . 112 LEU QD2 . 15624 1 1281 . 1 . 1 112 112 LEU C C 13 176.799 0.10 . . . . . . . 112 LEU C . 15624 1 1282 . 1 . 1 112 112 LEU CA C 13 54.441 0.20 . . . . . . . 112 LEU CA . 15624 1 1283 . 1 . 1 112 112 LEU CB C 13 41.521 0.20 . . . . . . . 112 LEU CB . 15624 1 1284 . 1 . 1 112 112 LEU CD2 C 13 23.612 0.20 . . . . . . . 112 LEU CD2 . 15624 1 1285 . 1 . 1 112 112 LEU CG C 13 25.800 0.20 . . . . . . . 112 LEU CG . 15624 1 1286 . 1 . 1 112 112 LEU N N 15 118.408 0.10 . . . . . . . 112 LEU N . 15624 1 1287 . 1 . 1 113 113 GLY H H 1 7.824 0.02 . . . . . . . 113 GLY H . 15624 1 1288 . 1 . 1 113 113 GLY HA2 H 1 4.040 0.02 . . . . . . . 113 GLY HA2 . 15624 1 1289 . 1 . 1 113 113 GLY HA3 H 1 3.753 0.02 . . . . . . . 113 GLY HA3 . 15624 1 1290 . 1 . 1 113 113 GLY C C 13 174.282 0.10 . . . . . . . 113 GLY C . 15624 1 1291 . 1 . 1 113 113 GLY CA C 13 45.828 0.20 . . . . . . . 113 GLY CA . 15624 1 1292 . 1 . 1 113 113 GLY N N 15 107.655 0.10 . . . . . . . 113 GLY N . 15624 1 1293 . 1 . 1 114 114 GLU H H 1 7.848 0.02 . . . . . . . 114 GLU H . 15624 1 1294 . 1 . 1 114 114 GLU HA H 1 4.377 0.02 . . . . . . . 114 GLU HA . 15624 1 1295 . 1 . 1 114 114 GLU HB2 H 1 1.886 0.02 . . . . . . . 114 GLU HB2 . 15624 1 1296 . 1 . 1 114 114 GLU HB3 H 1 1.647 0.02 . . . . . . . 114 GLU HB3 . 15624 1 1297 . 1 . 1 114 114 GLU HG2 H 1 2.091 0.02 . . . . . . . 114 GLU HG2 . 15624 1 1298 . 1 . 1 114 114 GLU C C 13 175.070 0.10 . . . . . . . 114 GLU C . 15624 1 1299 . 1 . 1 114 114 GLU CA C 13 60.146 0.20 . . . . . . . 114 GLU CA . 15624 1 1300 . 1 . 1 114 114 GLU CB C 13 30.585 0.20 . . . . . . . 114 GLU CB . 15624 1 1301 . 1 . 1 114 114 GLU CG C 13 35.643 0.20 . . . . . . . 114 GLU CG . 15624 1 1302 . 1 . 1 114 114 GLU N N 15 119.228 0.10 . . . . . . . 114 GLU N . 15624 1 1303 . 1 . 1 115 115 LYS H H 1 8.581 0.02 . . . . . . . 115 LYS H . 15624 1 1304 . 1 . 1 115 115 LYS HA H 1 4.341 0.02 . . . . . . . 115 LYS HA . 15624 1 1305 . 1 . 1 115 115 LYS HB2 H 1 1.759 0.02 . . . . . . . 115 LYS HB2 . 15624 1 1306 . 1 . 1 115 115 LYS HB3 H 1 1.670 0.02 . . . . . . . 115 LYS HB3 . 15624 1 1307 . 1 . 1 115 115 LYS HD2 H 1 1.654 0.02 . . . . . . . 115 LYS HD2 . 15624 1 1308 . 1 . 1 115 115 LYS HE2 H 1 3.027 0.02 . . . . . . . 115 LYS HE2 . 15624 1 1309 . 1 . 1 115 115 LYS HE3 H 1 3.027 0.02 . . . . . . . 115 LYS HE3 . 15624 1 1310 . 1 . 1 115 115 LYS HG2 H 1 1.375 0.02 . . . . . . . 115 LYS HG2 . 15624 1 1311 . 1 . 1 115 115 LYS HG3 H 1 1.336 0.02 . . . . . . . 115 LYS HG3 . 15624 1 1312 . 1 . 1 115 115 LYS C C 13 175.600 0.10 . . . . . . . 115 LYS C . 15624 1 1313 . 1 . 1 115 115 LYS CA C 13 55.534 0.20 . . . . . . . 115 LYS CA . 15624 1 1314 . 1 . 1 115 115 LYS CB C 13 31.815 0.20 . . . . . . . 115 LYS CB . 15624 1 1315 . 1 . 1 115 115 LYS CD C 13 29.081 0.20 . . . . . . . 115 LYS CD . 15624 1 1316 . 1 . 1 115 115 LYS CE C 13 42.205 0.20 . . . . . . . 115 LYS CE . 15624 1 1317 . 1 . 1 115 115 LYS CG C 13 24.569 0.20 . . . . . . . 115 LYS CG . 15624 1 1318 . 1 . 1 115 115 LYS N N 15 124.883 0.10 . . . . . . . 115 LYS N . 15624 1 1319 . 1 . 1 116 116 LEU H H 1 8.082 0.02 . . . . . . . 116 LEU H . 15624 1 1320 . 1 . 1 116 116 LEU HA H 1 4.784 0.02 . . . . . . . 116 LEU HA . 15624 1 1321 . 1 . 1 116 116 LEU HB2 H 1 1.585 0.02 . . . . . . . 116 LEU HB2 . 15624 1 1322 . 1 . 1 116 116 LEU HB3 H 1 1.487 0.02 . . . . . . . 116 LEU HB3 . 15624 1 1323 . 1 . 1 116 116 LEU HD11 H 1 0.782 0.02 . . . . . . . 116 LEU QD1 . 15624 1 1324 . 1 . 1 116 116 LEU HD12 H 1 0.782 0.02 . . . . . . . 116 LEU QD1 . 15624 1 1325 . 1 . 1 116 116 LEU HD13 H 1 0.782 0.02 . . . . . . . 116 LEU QD1 . 15624 1 1326 . 1 . 1 116 116 LEU HD21 H 1 0.791 0.02 . . . . . . . 116 LEU QD2 . 15624 1 1327 . 1 . 1 116 116 LEU HD22 H 1 0.791 0.02 . . . . . . . 116 LEU QD2 . 15624 1 1328 . 1 . 1 116 116 LEU HD23 H 1 0.791 0.02 . . . . . . . 116 LEU QD2 . 15624 1 1329 . 1 . 1 116 116 LEU C C 13 178.204 0.10 . . . . . . . 116 LEU C . 15624 1 1330 . 1 . 1 116 116 LEU CA C 13 53.962 0.20 . . . . . . . 116 LEU CA . 15624 1 1331 . 1 . 1 116 116 LEU CB C 13 44.597 0.20 . . . . . . . 116 LEU CB . 15624 1 1332 . 1 . 1 116 116 LEU CD1 C 13 26.620 0.20 . . . . . . . 116 LEU CD1 . 15624 1 1333 . 1 . 1 116 116 LEU CD2 C 13 23.886 0.20 . . . . . . . 116 LEU CD2 . 15624 1 1334 . 1 . 1 116 116 LEU CG C 13 26.890 0.20 . . . . . . . 116 LEU CG . 15624 1 1335 . 1 . 1 116 116 LEU N N 15 125.440 0.10 . . . . . . . 116 LEU N . 15624 1 1336 . 1 . 1 117 117 THR H H 1 9.198 0.02 . . . . . . . 117 THR H . 15624 1 1337 . 1 . 1 117 117 THR HA H 1 4.458 0.02 . . . . . . . 117 THR HA . 15624 1 1338 . 1 . 1 117 117 THR HB H 1 4.747 0.02 . . . . . . . 117 THR HB . 15624 1 1339 . 1 . 1 117 117 THR HG21 H 1 1.352 0.02 . . . . . . . 117 THR QG2 . 15624 1 1340 . 1 . 1 117 117 THR HG22 H 1 1.352 0.02 . . . . . . . 117 THR QG2 . 15624 1 1341 . 1 . 1 117 117 THR HG23 H 1 1.352 0.02 . . . . . . . 117 THR QG2 . 15624 1 1342 . 1 . 1 117 117 THR C C 13 175.420 0.10 . . . . . . . 117 THR C . 15624 1 1343 . 1 . 1 117 117 THR CA C 13 60.593 0.20 . . . . . . . 117 THR CA . 15624 1 1344 . 1 . 1 117 117 THR CB C 13 71.119 0.20 . . . . . . . 117 THR CB . 15624 1 1345 . 1 . 1 117 117 THR CG2 C 13 21.944 0.20 . . . . . . . 117 THR CG2 . 15624 1 1346 . 1 . 1 117 117 THR N N 15 114.863 0.10 . . . . . . . 117 THR N . 15624 1 1347 . 1 . 1 118 118 ASP H H 1 8.839 0.02 . . . . . . . 118 ASP H . 15624 1 1348 . 1 . 1 118 118 ASP HA H 1 4.249 0.02 . . . . . . . 118 ASP HA . 15624 1 1349 . 1 . 1 118 118 ASP HB2 H 1 2.740 0.02 . . . . . . . 118 ASP HB2 . 15624 1 1350 . 1 . 1 118 118 ASP HB3 H 1 2.600 0.02 . . . . . . . 118 ASP HB3 . 15624 1 1351 . 1 . 1 118 118 ASP C C 13 178.781 0.10 . . . . . . . 118 ASP C . 15624 1 1352 . 1 . 1 118 118 ASP CA C 13 57.927 0.20 . . . . . . . 118 ASP CA . 15624 1 1353 . 1 . 1 118 118 ASP CB C 13 39.266 0.20 . . . . . . . 118 ASP CB . 15624 1 1354 . 1 . 1 118 118 ASP N N 15 121.162 0.10 . . . . . . . 118 ASP N . 15624 1 1355 . 1 . 1 119 119 GLU H H 1 8.622 0.02 . . . . . . . 119 GLU H . 15624 1 1356 . 1 . 1 119 119 GLU HA H 1 4.099 0.02 . . . . . . . 119 GLU HA . 15624 1 1357 . 1 . 1 119 119 GLU HB2 H 1 2.025 0.02 . . . . . . . 119 GLU HB2 . 15624 1 1358 . 1 . 1 119 119 GLU HG2 H 1 2.353 0.02 . . . . . . . 119 GLU HG2 . 15624 1 1359 . 1 . 1 119 119 GLU C C 13 179.252 0.10 . . . . . . . 119 GLU C . 15624 1 1360 . 1 . 1 119 119 GLU CA C 13 59.897 0.20 . . . . . . . 119 GLU CA . 15624 1 1361 . 1 . 1 119 119 GLU CB C 13 29.038 0.20 . . . . . . . 119 GLU CB . 15624 1 1362 . 1 . 1 119 119 GLU CG C 13 36.751 0.20 . . . . . . . 119 GLU CG . 15624 1 1363 . 1 . 1 119 119 GLU N N 15 119.111 0.10 . . . . . . . 119 GLU N . 15624 1 1364 . 1 . 1 120 120 GLU H H 1 7.771 0.02 . . . . . . . 120 GLU H . 15624 1 1365 . 1 . 1 120 120 GLU HA H 1 4.033 0.02 . . . . . . . 120 GLU HA . 15624 1 1366 . 1 . 1 120 120 GLU HB2 H 1 2.421 0.02 . . . . . . . 120 GLU HB2 . 15624 1 1367 . 1 . 1 120 120 GLU HB3 H 1 1.882 0.02 . . . . . . . 120 GLU HB3 . 15624 1 1368 . 1 . 1 120 120 GLU HG2 H 1 2.246 0.02 . . . . . . . 120 GLU HG2 . 15624 1 1369 . 1 . 1 120 120 GLU C C 13 180.123 0.10 . . . . . . . 120 GLU C . 15624 1 1370 . 1 . 1 120 120 GLU CA C 13 59.273 0.20 . . . . . . . 120 GLU CA . 15624 1 1371 . 1 . 1 120 120 GLU CB C 13 30.380 0.20 . . . . . . . 120 GLU CB . 15624 1 1372 . 1 . 1 120 120 GLU CG C 13 38.030 0.20 . . . . . . . 120 GLU CG . 15624 1 1373 . 1 . 1 120 120 GLU N N 15 120.459 0.10 . . . . . . . 120 GLU N . 15624 1 1374 . 1 . 1 121 121 VAL H H 1 8.094 0.02 . . . . . . . 121 VAL H . 15624 1 1375 . 1 . 1 121 121 VAL HA H 1 3.533 0.02 . . . . . . . 121 VAL HA . 15624 1 1376 . 1 . 1 121 121 VAL HB H 1 2.245 0.02 . . . . . . . 121 VAL HB . 15624 1 1377 . 1 . 1 121 121 VAL HG11 H 1 1.008 0.02 . . . . . . . 121 VAL QG1 . 15624 1 1378 . 1 . 1 121 121 VAL HG12 H 1 1.008 0.02 . . . . . . . 121 VAL QG1 . 15624 1 1379 . 1 . 1 121 121 VAL HG13 H 1 1.008 0.02 . . . . . . . 121 VAL QG1 . 15624 1 1380 . 1 . 1 121 121 VAL HG21 H 1 0.983 0.02 . . . . . . . 121 VAL QG2 . 15624 1 1381 . 1 . 1 121 121 VAL HG22 H 1 0.983 0.02 . . . . . . . 121 VAL QG2 . 15624 1 1382 . 1 . 1 121 121 VAL HG23 H 1 0.983 0.02 . . . . . . . 121 VAL QG2 . 15624 1 1383 . 1 . 1 121 121 VAL C C 13 177.341 0.10 . . . . . . . 121 VAL C . 15624 1 1384 . 1 . 1 121 121 VAL CA C 13 67.155 0.20 . . . . . . . 121 VAL CA . 15624 1 1385 . 1 . 1 121 121 VAL CB C 13 30.987 0.20 . . . . . . . 121 VAL CB . 15624 1 1386 . 1 . 1 121 121 VAL CG1 C 13 24.023 0.20 . . . . . . . 121 VAL CG1 . 15624 1 1387 . 1 . 1 121 121 VAL CG2 C 13 24.023 0.20 . . . . . . . 121 VAL CG2 . 15624 1 1388 . 1 . 1 121 121 VAL N N 15 120.869 0.10 . . . . . . . 121 VAL N . 15624 1 1389 . 1 . 1 122 122 ASP H H 1 8.030 0.02 . . . . . . . 122 ASP H . 15624 1 1390 . 1 . 1 122 122 ASP HA H 1 4.340 0.02 . . . . . . . 122 ASP HA . 15624 1 1391 . 1 . 1 122 122 ASP HB2 H 1 2.783 0.02 . . . . . . . 122 ASP HB2 . 15624 1 1392 . 1 . 1 122 122 ASP HB3 H 1 2.647 0.02 . . . . . . . 122 ASP HB3 . 15624 1 1393 . 1 . 1 122 122 ASP C C 13 179.205 0.10 . . . . . . . 122 ASP C . 15624 1 1394 . 1 . 1 122 122 ASP CA C 13 57.585 0.20 . . . . . . . 122 ASP CA . 15624 1 1395 . 1 . 1 122 122 ASP CB C 13 40.565 0.20 . . . . . . . 122 ASP CB . 15624 1 1396 . 1 . 1 122 122 ASP N N 15 119.404 0.10 . . . . . . . 122 ASP N . 15624 1 1397 . 1 . 1 123 123 GLU H H 1 8.123 0.02 . . . . . . . 123 GLU H . 15624 1 1398 . 1 . 1 123 123 GLU HA H 1 3.981 0.02 . . . . . . . 123 GLU HA . 15624 1 1399 . 1 . 1 123 123 GLU HB2 H 1 2.095 0.02 . . . . . . . 123 GLU HB2 . 15624 1 1400 . 1 . 1 123 123 GLU HB3 H 1 2.314 0.02 . . . . . . . 123 GLU HB3 . 15624 1 1401 . 1 . 1 123 123 GLU HG2 H 1 2.330 0.02 . . . . . . . 123 GLU HG2 . 15624 1 1402 . 1 . 1 123 123 GLU C C 13 178.232 0.10 . . . . . . . 123 GLU C . 15624 1 1403 . 1 . 1 123 123 GLU CA C 13 59.372 0.20 . . . . . . . 123 GLU CA . 15624 1 1404 . 1 . 1 123 123 GLU CB C 13 29.586 0.20 . . . . . . . 123 GLU CB . 15624 1 1405 . 1 . 1 123 123 GLU CG C 13 36.157 0.20 . . . . . . . 123 GLU CG . 15624 1 1406 . 1 . 1 123 123 GLU N N 15 119.287 0.10 . . . . . . . 123 GLU N . 15624 1 1407 . 1 . 1 124 124 MET H H 1 7.795 0.02 . . . . . . . 124 MET H . 15624 1 1408 . 1 . 1 124 124 MET HA H 1 4.085 0.02 . . . . . . . 124 MET HA . 15624 1 1409 . 1 . 1 124 124 MET HB2 H 1 2.234 0.02 . . . . . . . 124 MET HB2 . 15624 1 1410 . 1 . 1 124 124 MET HB3 H 1 2.045 0.02 . . . . . . . 124 MET HB3 . 15624 1 1411 . 1 . 1 124 124 MET HE1 H 1 1.917 0.02 . . . . . . . 124 MET QE . 15624 1 1412 . 1 . 1 124 124 MET HE2 H 1 1.917 0.02 . . . . . . . 124 MET QE . 15624 1 1413 . 1 . 1 124 124 MET HE3 H 1 1.917 0.02 . . . . . . . 124 MET QE . 15624 1 1414 . 1 . 1 124 124 MET HG2 H 1 2.661 0.02 . . . . . . . 124 MET HG2 . 15624 1 1415 . 1 . 1 124 124 MET HG3 H 1 2.431 0.02 . . . . . . . 124 MET HG3 . 15624 1 1416 . 1 . 1 124 124 MET C C 13 179.116 0.10 . . . . . . . 124 MET C . 15624 1 1417 . 1 . 1 124 124 MET CA C 13 59.269 0.20 . . . . . . . 124 MET CA . 15624 1 1418 . 1 . 1 124 124 MET CB C 13 32.567 0.20 . . . . . . . 124 MET CB . 15624 1 1419 . 1 . 1 124 124 MET CE C 13 15.801 0.20 . . . . . . . 124 MET CE . 15624 1 1420 . 1 . 1 124 124 MET CG C 13 32.772 0.20 . . . . . . . 124 MET CG . 15624 1 1421 . 1 . 1 124 124 MET N N 15 119.258 0.10 . . . . . . . 124 MET N . 15624 1 1422 . 1 . 1 125 125 ILE H H 1 7.989 0.02 . . . . . . . 125 ILE H . 15624 1 1423 . 1 . 1 125 125 ILE HA H 1 3.472 0.02 . . . . . . . 125 ILE HA . 15624 1 1424 . 1 . 1 125 125 ILE HB H 1 2.083 0.02 . . . . . . . 125 ILE HB . 15624 1 1425 . 1 . 1 125 125 ILE HD11 H 1 0.733 0.02 . . . . . . . 125 ILE QD1 . 15624 1 1426 . 1 . 1 125 125 ILE HD12 H 1 0.733 0.02 . . . . . . . 125 ILE QD1 . 15624 1 1427 . 1 . 1 125 125 ILE HD13 H 1 0.733 0.02 . . . . . . . 125 ILE QD1 . 15624 1 1428 . 1 . 1 125 125 ILE HG12 H 1 1.592 0.02 . . . . . . . 125 ILE HG12 . 15624 1 1429 . 1 . 1 125 125 ILE HG13 H 1 1.211 0.02 . . . . . . . 125 ILE HG13 . 15624 1 1430 . 1 . 1 125 125 ILE HG21 H 1 0.733 0.02 . . . . . . . 125 ILE QG2 . 15624 1 1431 . 1 . 1 125 125 ILE HG22 H 1 0.733 0.02 . . . . . . . 125 ILE QG2 . 15624 1 1432 . 1 . 1 125 125 ILE HG23 H 1 0.733 0.02 . . . . . . . 125 ILE QG2 . 15624 1 1433 . 1 . 1 125 125 ILE C C 13 177.401 0.10 . . . . . . . 125 ILE C . 15624 1 1434 . 1 . 1 125 125 ILE CA C 13 64.284 0.20 . . . . . . . 125 ILE CA . 15624 1 1435 . 1 . 1 125 125 ILE CB C 13 36.121 0.20 . . . . . . . 125 ILE CB . 15624 1 1436 . 1 . 1 125 125 ILE CD1 C 13 11.103 0.20 . . . . . . . 125 ILE CD1 . 15624 1 1437 . 1 . 1 125 125 ILE CG1 C 13 28.566 0.20 . . . . . . . 125 ILE CG1 . 15624 1 1438 . 1 . 1 125 125 ILE CG2 C 13 16.389 0.20 . . . . . . . 125 ILE CG2 . 15624 1 1439 . 1 . 1 125 125 ILE N N 15 118.173 0.10 . . . . . . . 125 ILE N . 15624 1 1440 . 1 . 1 126 126 ARG H H 1 8.376 0.02 . . . . . . . 126 ARG H . 15624 1 1441 . 1 . 1 126 126 ARG HA H 1 4.048 0.02 . . . . . . . 126 ARG HA . 15624 1 1442 . 1 . 1 126 126 ARG HB2 H 1 1.959 0.02 . . . . . . . 126 ARG HB2 . 15624 1 1443 . 1 . 1 126 126 ARG HB3 H 1 1.789 0.02 . . . . . . . 126 ARG HB3 . 15624 1 1444 . 1 . 1 126 126 ARG HD2 H 1 3.226 0.02 . . . . . . . 126 ARG HD2 . 15624 1 1445 . 1 . 1 126 126 ARG HE H 1 7.422 0.02 . . . . . . . 126 ARG HE . 15624 1 1446 . 1 . 1 126 126 ARG HG2 H 1 1.722 0.02 . . . . . . . 126 ARG HG2 . 15624 1 1447 . 1 . 1 126 126 ARG HG3 H 1 1.651 0.02 . . . . . . . 126 ARG HG3 . 15624 1 1448 . 1 . 1 126 126 ARG C C 13 179.484 0.10 . . . . . . . 126 ARG C . 15624 1 1449 . 1 . 1 126 126 ARG CA C 13 59.704 0.20 . . . . . . . 126 ARG CA . 15624 1 1450 . 1 . 1 126 126 ARG CB C 13 30.073 0.20 . . . . . . . 126 ARG CB . 15624 1 1451 . 1 . 1 126 126 ARG CD C 13 43.504 0.20 . . . . . . . 126 ARG CD . 15624 1 1452 . 1 . 1 126 126 ARG CG C 13 27.934 0.20 . . . . . . . 126 ARG CG . 15624 1 1453 . 1 . 1 126 126 ARG N N 15 118.349 0.10 . . . . . . . 126 ARG N . 15624 1 1454 . 1 . 1 126 126 ARG NE N 15 114.496 0.10 . . . . . . . 126 ARG NE . 15624 1 1455 . 1 . 1 127 127 GLU H H 1 7.942 0.02 . . . . . . . 127 GLU H . 15624 1 1456 . 1 . 1 127 127 GLU HA H 1 4.023 0.02 . . . . . . . 127 GLU HA . 15624 1 1457 . 1 . 1 127 127 GLU HB2 H 1 1.999 0.02 . . . . . . . 127 GLU HB2 . 15624 1 1458 . 1 . 1 127 127 GLU HB3 H 1 1.977 0.02 . . . . . . . 127 GLU HB3 . 15624 1 1459 . 1 . 1 127 127 GLU HG2 H 1 2.396 0.02 . . . . . . . 127 GLU HG2 . 15624 1 1460 . 1 . 1 127 127 GLU HG3 H 1 2.219 0.02 . . . . . . . 127 GLU HG3 . 15624 1 1461 . 1 . 1 127 127 GLU C C 13 177.406 0.10 . . . . . . . 127 GLU C . 15624 1 1462 . 1 . 1 127 127 GLU CA C 13 58.542 0.20 . . . . . . . 127 GLU CA . 15624 1 1463 . 1 . 1 127 127 GLU CB C 13 29.642 0.20 . . . . . . . 127 GLU CB . 15624 1 1464 . 1 . 1 127 127 GLU CG C 13 36.532 0.20 . . . . . . . 127 GLU CG . 15624 1 1465 . 1 . 1 127 127 GLU N N 15 116.240 0.10 . . . . . . . 127 GLU N . 15624 1 1466 . 1 . 1 128 128 ALA H H 1 7.349 0.02 . . . . . . . 128 ALA H . 15624 1 1467 . 1 . 1 128 128 ALA HA H 1 4.452 0.02 . . . . . . . 128 ALA HA . 15624 1 1468 . 1 . 1 128 128 ALA HB1 H 1 1.415 0.02 . . . . . . . 128 ALA QB . 15624 1 1469 . 1 . 1 128 128 ALA HB2 H 1 1.415 0.02 . . . . . . . 128 ALA QB . 15624 1 1470 . 1 . 1 128 128 ALA HB3 H 1 1.415 0.02 . . . . . . . 128 ALA QB . 15624 1 1471 . 1 . 1 128 128 ALA C C 13 178.030 0.10 . . . . . . . 128 ALA C . 15624 1 1472 . 1 . 1 128 128 ALA CA C 13 52.048 0.20 . . . . . . . 128 ALA CA . 15624 1 1473 . 1 . 1 128 128 ALA CB C 13 20.810 0.20 . . . . . . . 128 ALA CB . 15624 1 1474 . 1 . 1 128 128 ALA N N 15 118.994 0.10 . . . . . . . 128 ALA N . 15624 1 1475 . 1 . 1 129 129 ASP H H 1 8.018 0.02 . . . . . . . 129 ASP H . 15624 1 1476 . 1 . 1 129 129 ASP HA H 1 4.500 0.02 . . . . . . . 129 ASP HA . 15624 1 1477 . 1 . 1 129 129 ASP HB2 H 1 2.876 0.02 . . . . . . . 129 ASP HB2 . 15624 1 1478 . 1 . 1 129 129 ASP HB3 H 1 2.523 0.02 . . . . . . . 129 ASP HB3 . 15624 1 1479 . 1 . 1 129 129 ASP C C 13 176.182 0.10 . . . . . . . 129 ASP C . 15624 1 1480 . 1 . 1 129 129 ASP CA C 13 54.252 0.20 . . . . . . . 129 ASP CA . 15624 1 1481 . 1 . 1 129 129 ASP CB C 13 40.223 0.20 . . . . . . . 129 ASP CB . 15624 1 1482 . 1 . 1 129 129 ASP N N 15 117.705 0.10 . . . . . . . 129 ASP N . 15624 1 1483 . 1 . 1 130 130 ILE H H 1 8.446 0.02 . . . . . . . 130 ILE H . 15624 1 1484 . 1 . 1 130 130 ILE HA H 1 3.944 0.02 . . . . . . . 130 ILE HA . 15624 1 1485 . 1 . 1 130 130 ILE HB H 1 2.008 0.02 . . . . . . . 130 ILE HB . 15624 1 1486 . 1 . 1 130 130 ILE HD11 H 1 0.891 0.02 . . . . . . . 130 ILE QD1 . 15624 1 1487 . 1 . 1 130 130 ILE HD12 H 1 0.891 0.02 . . . . . . . 130 ILE QD1 . 15624 1 1488 . 1 . 1 130 130 ILE HD13 H 1 0.891 0.02 . . . . . . . 130 ILE QD1 . 15624 1 1489 . 1 . 1 130 130 ILE HG12 H 1 1.708 0.02 . . . . . . . 130 ILE HG12 . 15624 1 1490 . 1 . 1 130 130 ILE HG13 H 1 1.336 0.02 . . . . . . . 130 ILE HG13 . 15624 1 1491 . 1 . 1 130 130 ILE HG21 H 1 0.962 0.02 . . . . . . . 130 ILE QG2 . 15624 1 1492 . 1 . 1 130 130 ILE HG22 H 1 0.962 0.02 . . . . . . . 130 ILE QG2 . 15624 1 1493 . 1 . 1 130 130 ILE HG23 H 1 0.962 0.02 . . . . . . . 130 ILE QG2 . 15624 1 1494 . 1 . 1 130 130 ILE C C 13 178.019 0.10 . . . . . . . 130 ILE C . 15624 1 1495 . 1 . 1 130 130 ILE CA C 13 62.985 0.20 . . . . . . . 130 ILE CA . 15624 1 1496 . 1 . 1 130 130 ILE CB C 13 38.719 0.20 . . . . . . . 130 ILE CB . 15624 1 1497 . 1 . 1 130 130 ILE CD1 C 13 12.471 0.20 . . . . . . . 130 ILE CD1 . 15624 1 1498 . 1 . 1 130 130 ILE CG1 C 13 28.019 0.20 . . . . . . . 130 ILE CG1 . 15624 1 1499 . 1 . 1 130 130 ILE CG2 C 13 17.324 0.20 . . . . . . . 130 ILE CG2 . 15624 1 1500 . 1 . 1 130 130 ILE N N 15 127.931 0.10 . . . . . . . 130 ILE N . 15624 1 1501 . 1 . 1 131 131 ASP H H 1 8.288 0.02 . . . . . . . 131 ASP H . 15624 1 1502 . 1 . 1 131 131 ASP HA H 1 4.553 0.02 . . . . . . . 131 ASP HA . 15624 1 1503 . 1 . 1 131 131 ASP HB2 H 1 3.092 0.02 . . . . . . . 131 ASP HB2 . 15624 1 1504 . 1 . 1 131 131 ASP HB3 H 1 2.654 0.02 . . . . . . . 131 ASP HB3 . 15624 1 1505 . 1 . 1 131 131 ASP C C 13 178.474 0.10 . . . . . . . 131 ASP C . 15624 1 1506 . 1 . 1 131 131 ASP CA C 13 53.757 0.20 . . . . . . . 131 ASP CA . 15624 1 1507 . 1 . 1 131 131 ASP CB C 13 39.744 0.20 . . . . . . . 131 ASP CB . 15624 1 1508 . 1 . 1 131 131 ASP N N 15 116.767 0.10 . . . . . . . 131 ASP N . 15624 1 1509 . 1 . 1 132 132 GLY H H 1 7.578 0.02 . . . . . . . 132 GLY H . 15624 1 1510 . 1 . 1 132 132 GLY HA2 H 1 3.946 0.02 . . . . . . . 132 GLY HA2 . 15624 1 1511 . 1 . 1 132 132 GLY HA3 H 1 3.805 0.02 . . . . . . . 132 GLY HA3 . 15624 1 1512 . 1 . 1 132 132 GLY C C 13 175.462 0.10 . . . . . . . 132 GLY C . 15624 1 1513 . 1 . 1 132 132 GLY CA C 13 47.466 0.20 . . . . . . . 132 GLY CA . 15624 1 1514 . 1 . 1 132 132 GLY N N 15 108.475 0.10 . . . . . . . 132 GLY N . 15624 1 1515 . 1 . 1 133 133 ASP H H 1 8.335 0.02 . . . . . . . 133 ASP H . 15624 1 1516 . 1 . 1 133 133 ASP HA H 1 4.488 0.02 . . . . . . . 133 ASP HA . 15624 1 1517 . 1 . 1 133 133 ASP HB2 H 1 2.964 0.02 . . . . . . . 133 ASP HB2 . 15624 1 1518 . 1 . 1 133 133 ASP HB3 H 1 2.516 0.02 . . . . . . . 133 ASP HB3 . 15624 1 1519 . 1 . 1 133 133 ASP C C 13 177.827 0.10 . . . . . . . 133 ASP C . 15624 1 1520 . 1 . 1 133 133 ASP CA C 13 53.415 0.20 . . . . . . . 133 ASP CA . 15624 1 1521 . 1 . 1 133 133 ASP CB C 13 40.113 0.20 . . . . . . . 133 ASP CB . 15624 1 1522 . 1 . 1 133 133 ASP N N 15 120.811 0.10 . . . . . . . 133 ASP N . 15624 1 1523 . 1 . 1 134 134 GLY H H 1 10.335 0.02 . . . . . . . 134 GLY H . 15624 1 1524 . 1 . 1 134 134 GLY HA2 H 1 4.046 0.02 . . . . . . . 134 GLY HA2 . 15624 1 1525 . 1 . 1 134 134 GLY HA3 H 1 3.430 0.02 . . . . . . . 134 GLY HA3 . 15624 1 1526 . 1 . 1 134 134 GLY C C 13 173.043 0.10 . . . . . . . 134 GLY C . 15624 1 1527 . 1 . 1 134 134 GLY CA C 13 45.828 0.20 . . . . . . . 134 GLY CA . 15624 1 1528 . 1 . 1 134 134 GLY N N 15 112.870 0.10 . . . . . . . 134 GLY N . 15624 1 1529 . 1 . 1 135 135 GLN H H 1 8.006 0.02 . . . . . . . 135 GLN H . 15624 1 1530 . 1 . 1 135 135 GLN HA H 1 4.859 0.02 . . . . . . . 135 GLN HA . 15624 1 1531 . 1 . 1 135 135 GLN HB2 H 1 2.010 0.02 . . . . . . . 135 GLN HB2 . 15624 1 1532 . 1 . 1 135 135 GLN HB3 H 1 1.725 0.02 . . . . . . . 135 GLN HB3 . 15624 1 1533 . 1 . 1 135 135 GLN HG2 H 1 1.964 0.02 . . . . . . . 135 GLN HG2 . 15624 1 1534 . 1 . 1 135 135 GLN HG3 H 1 1.961 0.02 . . . . . . . 135 GLN HG3 . 15624 1 1535 . 1 . 1 135 135 GLN C C 13 174.993 0.10 . . . . . . . 135 GLN C . 15624 1 1536 . 1 . 1 135 135 GLN CA C 13 53.142 0.20 . . . . . . . 135 GLN CA . 15624 1 1537 . 1 . 1 135 135 GLN CB C 13 32.499 0.20 . . . . . . . 135 GLN CB . 15624 1 1538 . 1 . 1 135 135 GLN CG C 13 33.045 0.20 . . . . . . . 135 GLN CG . 15624 1 1539 . 1 . 1 135 135 GLN N N 15 115.390 0.10 . . . . . . . 135 GLN N . 15624 1 1540 . 1 . 1 136 136 VAL H H 1 9.080 0.02 . . . . . . . 136 VAL H . 15624 1 1541 . 1 . 1 136 136 VAL HA H 1 5.177 0.02 . . . . . . . 136 VAL HA . 15624 1 1542 . 1 . 1 136 136 VAL HB H 1 2.294 0.02 . . . . . . . 136 VAL HB . 15624 1 1543 . 1 . 1 136 136 VAL HG11 H 1 1.277 0.02 . . . . . . . 136 VAL QG1 . 15624 1 1544 . 1 . 1 136 136 VAL HG12 H 1 1.277 0.02 . . . . . . . 136 VAL QG1 . 15624 1 1545 . 1 . 1 136 136 VAL HG13 H 1 1.277 0.02 . . . . . . . 136 VAL QG1 . 15624 1 1546 . 1 . 1 136 136 VAL HG21 H 1 0.905 0.02 . . . . . . . 136 VAL QG2 . 15624 1 1547 . 1 . 1 136 136 VAL HG22 H 1 0.905 0.02 . . . . . . . 136 VAL QG2 . 15624 1 1548 . 1 . 1 136 136 VAL HG23 H 1 0.905 0.02 . . . . . . . 136 VAL QG2 . 15624 1 1549 . 1 . 1 136 136 VAL C C 13 176.032 0.10 . . . . . . . 136 VAL C . 15624 1 1550 . 1 . 1 136 136 VAL CA C 13 61.755 0.20 . . . . . . . 136 VAL CA . 15624 1 1551 . 1 . 1 136 136 VAL CB C 13 33.797 0.20 . . . . . . . 136 VAL CB . 15624 1 1552 . 1 . 1 136 136 VAL CG1 C 13 22.040 0.20 . . . . . . . 136 VAL CG1 . 15624 1 1553 . 1 . 1 136 136 VAL CG2 C 13 22.314 0.20 . . . . . . . 136 VAL CG2 . 15624 1 1554 . 1 . 1 136 136 VAL N N 15 125.294 0.10 . . . . . . . 136 VAL N . 15624 1 1555 . 1 . 1 137 137 ASN H H 1 9.625 0.02 . . . . . . . 137 ASN H . 15624 1 1556 . 1 . 1 137 137 ASN HA H 1 5.293 0.02 . . . . . . . 137 ASN HA . 15624 1 1557 . 1 . 1 137 137 ASN HB2 H 1 3.288 0.02 . . . . . . . 137 ASN HB2 . 15624 1 1558 . 1 . 1 137 137 ASN HB3 H 1 3.242 0.02 . . . . . . . 137 ASN HB3 . 15624 1 1559 . 1 . 1 137 137 ASN HD21 H 1 7.537 0.02 . . . . . . . 137 ASN HD21 . 15624 1 1560 . 1 . 1 137 137 ASN HD22 H 1 6.759 0.02 . . . . . . . 137 ASN HD22 . 15624 1 1561 . 1 . 1 137 137 ASN C C 13 175.064 0.10 . . . . . . . 137 ASN C . 15624 1 1562 . 1 . 1 137 137 ASN CA C 13 51.160 0.20 . . . . . . . 137 ASN CA . 15624 1 1563 . 1 . 1 137 137 ASN CB C 13 38.111 0.20 . . . . . . . 137 ASN CB . 15624 1 1564 . 1 . 1 137 137 ASN CG C 13 178.284 0.20 . . . . . . . 137 ASN CG . 15624 1 1565 . 1 . 1 137 137 ASN N N 15 129.103 0.10 . . . . . . . 137 ASN N . 15624 1 1566 . 1 . 1 137 137 ASN ND2 N 15 111.150 0.10 . . . . . . . 137 ASN ND2 . 15624 1 1567 . 1 . 1 138 138 TYR H H 1 8.446 0.02 . . . . . . . 138 TYR H . 15624 1 1568 . 1 . 1 138 138 TYR HA H 1 3.398 0.02 . . . . . . . 138 TYR HA . 15624 1 1569 . 1 . 1 138 138 TYR HB2 H 1 2.405 0.02 . . . . . . . 138 TYR HB2 . 15624 1 1570 . 1 . 1 138 138 TYR HB3 H 1 2.030 0.02 . . . . . . . 138 TYR HB3 . 15624 1 1571 . 1 . 1 138 138 TYR HD1 H 1 6.341 0.02 . . . . . . . 138 TYR HD1 . 15624 1 1572 . 1 . 1 138 138 TYR HD2 H 1 6.341 0.02 . . . . . . . 138 TYR HD2 . 15624 1 1573 . 1 . 1 138 138 TYR HE1 H 1 6.522 0.02 . . . . . . . 138 TYR HE1 . 15624 1 1574 . 1 . 1 138 138 TYR HE2 H 1 6.522 0.02 . . . . . . . 138 TYR HE2 . 15624 1 1575 . 1 . 1 138 138 TYR C C 13 176.324 0.10 . . . . . . . 138 TYR C . 15624 1 1576 . 1 . 1 138 138 TYR CA C 13 62.643 0.20 . . . . . . . 138 TYR CA . 15624 1 1577 . 1 . 1 138 138 TYR CB C 13 37.899 0.20 . . . . . . . 138 TYR CB . 15624 1 1578 . 1 . 1 138 138 TYR N N 15 118.584 0.10 . . . . . . . 138 TYR N . 15624 1 1579 . 1 . 1 139 139 GLU H H 1 8.100 0.02 . . . . . . . 139 GLU H . 15624 1 1580 . 1 . 1 139 139 GLU HA H 1 3.631 0.02 . . . . . . . 139 GLU HA . 15624 1 1581 . 1 . 1 139 139 GLU HB2 H 1 2.098 0.02 . . . . . . . 139 GLU HB2 . 15624 1 1582 . 1 . 1 139 139 GLU HB3 H 1 1.981 0.02 . . . . . . . 139 GLU HB3 . 15624 1 1583 . 1 . 1 139 139 GLU HG2 H 1 2.372 0.02 . . . . . . . 139 GLU HG2 . 15624 1 1584 . 1 . 1 139 139 GLU HG3 H 1 2.301 0.02 . . . . . . . 139 GLU HG3 . 15624 1 1585 . 1 . 1 139 139 GLU C C 13 180.620 0.10 . . . . . . . 139 GLU C . 15624 1 1586 . 1 . 1 139 139 GLU CA C 13 60.319 0.20 . . . . . . . 139 GLU CA . 15624 1 1587 . 1 . 1 139 139 GLU CB C 13 28.795 0.20 . . . . . . . 139 GLU CB . 15624 1 1588 . 1 . 1 139 139 GLU CG C 13 37.078 0.20 . . . . . . . 139 GLU CG . 15624 1 1589 . 1 . 1 139 139 GLU N N 15 118.701 0.10 . . . . . . . 139 GLU N . 15624 1 1590 . 1 . 1 140 140 GLU H H 1 8.792 0.02 . . . . . . . 140 GLU H . 15624 1 1591 . 1 . 1 140 140 GLU HA H 1 4.040 0.02 . . . . . . . 140 GLU HA . 15624 1 1592 . 1 . 1 140 140 GLU HB2 H 1 2.592 0.02 . . . . . . . 140 GLU HB2 . 15624 1 1593 . 1 . 1 140 140 GLU HB3 H 1 2.267 0.02 . . . . . . . 140 GLU HB3 . 15624 1 1594 . 1 . 1 140 140 GLU HG2 H 1 2.907 0.02 . . . . . . . 140 GLU HG2 . 15624 1 1595 . 1 . 1 140 140 GLU HG3 H 1 2.472 0.02 . . . . . . . 140 GLU HG3 . 15624 1 1596 . 1 . 1 140 140 GLU C C 13 179.629 0.10 . . . . . . . 140 GLU C . 15624 1 1597 . 1 . 1 140 140 GLU CA C 13 58.559 0.20 . . . . . . . 140 GLU CA . 15624 1 1598 . 1 . 1 140 140 GLU CB C 13 29.341 0.20 . . . . . . . 140 GLU CB . 15624 1 1599 . 1 . 1 140 140 GLU CG C 13 37.215 0.20 . . . . . . . 140 GLU CG . 15624 1 1600 . 1 . 1 140 140 GLU N N 15 119.873 0.10 . . . . . . . 140 GLU N . 15624 1 1601 . 1 . 1 141 141 PHE H H 1 8.863 0.02 . . . . . . . 141 PHE H . 15624 1 1602 . 1 . 1 141 141 PHE HA H 1 4.042 0.02 . . . . . . . 141 PHE HA . 15624 1 1603 . 1 . 1 141 141 PHE HB2 H 1 3.369 0.02 . . . . . . . 141 PHE HB2 . 15624 1 1604 . 1 . 1 141 141 PHE HB3 H 1 3.240 0.02 . . . . . . . 141 PHE HB3 . 15624 1 1605 . 1 . 1 141 141 PHE HD1 H 1 6.619 0.02 . . . . . . . 141 PHE HD1 . 15624 1 1606 . 1 . 1 141 141 PHE HD2 H 1 6.619 0.02 . . . . . . . 141 PHE HD2 . 15624 1 1607 . 1 . 1 141 141 PHE HE1 H 1 7.015 0.02 . . . . . . . 141 PHE HE1 . 15624 1 1608 . 1 . 1 141 141 PHE HE2 H 1 7.015 0.02 . . . . . . . 141 PHE HE2 . 15624 1 1609 . 1 . 1 141 141 PHE HZ H 1 7.079 0.02 . . . . . . . 141 PHE HZ . 15624 1 1610 . 1 . 1 141 141 PHE C C 13 177.140 0.10 . . . . . . . 141 PHE C . 15624 1 1611 . 1 . 1 141 141 PHE CA C 13 61.481 0.20 . . . . . . . 141 PHE CA . 15624 1 1612 . 1 . 1 141 141 PHE CB C 13 40.018 0.20 . . . . . . . 141 PHE CB . 15624 1 1613 . 1 . 1 141 141 PHE N N 15 124.854 0.10 . . . . . . . 141 PHE N . 15624 1 1614 . 1 . 1 142 142 VAL H H 1 8.669 0.02 . . . . . . . 142 VAL H . 15624 1 1615 . 1 . 1 142 142 VAL HA H 1 3.186 0.02 . . . . . . . 142 VAL HA . 15624 1 1616 . 1 . 1 142 142 VAL HB H 1 1.869 0.02 . . . . . . . 142 VAL HB . 15624 1 1617 . 1 . 1 142 142 VAL HG11 H 1 0.498 0.02 . . . . . . . 142 VAL QG1 . 15624 1 1618 . 1 . 1 142 142 VAL HG12 H 1 0.498 0.02 . . . . . . . 142 VAL QG1 . 15624 1 1619 . 1 . 1 142 142 VAL HG13 H 1 0.498 0.02 . . . . . . . 142 VAL QG1 . 15624 1 1620 . 1 . 1 142 142 VAL HG21 H 1 0.757 0.02 . . . . . . . 142 VAL QG2 . 15624 1 1621 . 1 . 1 142 142 VAL HG22 H 1 0.757 0.02 . . . . . . . 142 VAL QG2 . 15624 1 1622 . 1 . 1 142 142 VAL HG23 H 1 0.757 0.02 . . . . . . . 142 VAL QG2 . 15624 1 1623 . 1 . 1 142 142 VAL C C 13 179.940 0.10 . . . . . . . 142 VAL C . 15624 1 1624 . 1 . 1 142 142 VAL CA C 13 67.223 0.20 . . . . . . . 142 VAL CA . 15624 1 1625 . 1 . 1 142 142 VAL CB C 13 31.610 0.20 . . . . . . . 142 VAL CB . 15624 1 1626 . 1 . 1 142 142 VAL CG1 C 13 22.997 0.20 . . . . . . . 142 VAL CG1 . 15624 1 1627 . 1 . 1 142 142 VAL CG2 C 13 21.288 0.20 . . . . . . . 142 VAL CG2 . 15624 1 1628 . 1 . 1 142 142 VAL N N 15 119.521 0.10 . . . . . . . 142 VAL N . 15624 1 1629 . 1 . 1 143 143 GLN H H 1 7.724 0.02 . . . . . . . 143 GLN H . 15624 1 1630 . 1 . 1 143 143 GLN HA H 1 3.901 0.02 . . . . . . . 143 GLN HA . 15624 1 1631 . 1 . 1 143 143 GLN HB2 H 1 2.165 0.02 . . . . . . . 143 GLN HB2 . 15624 1 1632 . 1 . 1 143 143 GLN HB3 H 1 2.436 0.02 . . . . . . . 143 GLN HB3 . 15624 1 1633 . 1 . 1 143 143 GLN HG2 H 1 2.419 0.02 . . . . . . . 143 GLN HG2 . 15624 1 1634 . 1 . 1 143 143 GLN C C 13 178.350 0.10 . . . . . . . 143 GLN C . 15624 1 1635 . 1 . 1 143 143 GLN CA C 13 59.230 0.20 . . . . . . . 143 GLN CA . 15624 1 1636 . 1 . 1 143 143 GLN CB C 13 27.813 0.20 . . . . . . . 143 GLN CB . 15624 1 1637 . 1 . 1 143 143 GLN CG C 13 34.002 0.20 . . . . . . . 143 GLN CG . 15624 1 1638 . 1 . 1 143 143 GLN N N 15 119.580 0.10 . . . . . . . 143 GLN N . 15624 1 1639 . 1 . 1 144 144 MET H H 1 7.924 0.02 . . . . . . . 144 MET H . 15624 1 1640 . 1 . 1 144 144 MET HA H 1 4.101 0.02 . . . . . . . 144 MET HA . 15624 1 1641 . 1 . 1 144 144 MET HB2 H 1 2.135 0.02 . . . . . . . 144 MET HB2 . 15624 1 1642 . 1 . 1 144 144 MET HB3 H 1 2.005 0.02 . . . . . . . 144 MET HB3 . 15624 1 1643 . 1 . 1 144 144 MET HE1 H 1 1.753 0.02 . . . . . . . 144 MET QE . 15624 1 1644 . 1 . 1 144 144 MET HE2 H 1 1.753 0.02 . . . . . . . 144 MET QE . 15624 1 1645 . 1 . 1 144 144 MET HE3 H 1 1.753 0.02 . . . . . . . 144 MET QE . 15624 1 1646 . 1 . 1 144 144 MET HG2 H 1 2.530 0.02 . . . . . . . 144 MET HG2 . 15624 1 1647 . 1 . 1 144 144 MET HG3 H 1 2.314 0.02 . . . . . . . 144 MET HG3 . 15624 1 1648 . 1 . 1 144 144 MET C C 13 178.280 0.10 . . . . . . . 144 MET C . 15624 1 1649 . 1 . 1 144 144 MET CA C 13 58.403 0.20 . . . . . . . 144 MET CA . 15624 1 1650 . 1 . 1 144 144 MET CB C 13 32.471 0.20 . . . . . . . 144 MET CB . 15624 1 1651 . 1 . 1 144 144 MET CE C 13 16.797 0.20 . . . . . . . 144 MET CE . 15624 1 1652 . 1 . 1 144 144 MET CG C 13 31.883 0.20 . . . . . . . 144 MET CG . 15624 1 1653 . 1 . 1 144 144 MET N N 15 119.463 0.10 . . . . . . . 144 MET N . 15624 1 1654 . 1 . 1 145 145 MET H H 1 7.760 0.02 . . . . . . . 145 MET H . 15624 1 1655 . 1 . 1 145 145 MET HA H 1 4.462 0.02 . . . . . . . 145 MET HA . 15624 1 1656 . 1 . 1 145 145 MET HB2 H 1 1.887 0.02 . . . . . . . 145 MET HB2 . 15624 1 1657 . 1 . 1 145 145 MET HE1 H 1 1.576 0.02 . . . . . . . 145 MET QE . 15624 1 1658 . 1 . 1 145 145 MET HE2 H 1 1.576 0.02 . . . . . . . 145 MET QE . 15624 1 1659 . 1 . 1 145 145 MET HE3 H 1 1.576 0.02 . . . . . . . 145 MET QE . 15624 1 1660 . 1 . 1 145 145 MET HG2 H 1 1.811 0.02 . . . . . . . 145 MET HG2 . 15624 1 1661 . 1 . 1 145 145 MET C C 13 177.637 0.10 . . . . . . . 145 MET C . 15624 1 1662 . 1 . 1 145 145 MET CA C 13 54.577 0.20 . . . . . . . 145 MET CA . 15624 1 1663 . 1 . 1 145 145 MET CB C 13 31.095 0.20 . . . . . . . 145 MET CB . 15624 1 1664 . 1 . 1 145 145 MET CE C 13 17.734 0.20 . . . . . . . 145 MET CE . 15624 1 1665 . 1 . 1 145 145 MET CG C 13 31.938 0.20 . . . . . . . 145 MET CG . 15624 1 1666 . 1 . 1 145 145 MET N N 15 115.038 0.10 . . . . . . . 145 MET N . 15624 1 1667 . 1 . 1 146 146 THR H H 1 7.707 0.02 . . . . . . . 146 THR H . 15624 1 1668 . 1 . 1 146 146 THR HA H 1 4.365 0.02 . . . . . . . 146 THR HA . 15624 1 1669 . 1 . 1 146 146 THR HB H 1 4.257 0.02 . . . . . . . 146 THR HB . 15624 1 1670 . 1 . 1 146 146 THR HG21 H 1 1.149 0.02 . . . . . . . 146 THR HG2 . 15624 1 1671 . 1 . 1 146 146 THR HG22 H 1 1.149 0.02 . . . . . . . 146 THR HG2 . 15624 1 1672 . 1 . 1 146 146 THR HG23 H 1 1.149 0.02 . . . . . . . 146 THR HG2 . 15624 1 1673 . 1 . 1 146 146 THR C C 13 174.422 0.10 . . . . . . . 146 THR C . 15624 1 1674 . 1 . 1 146 146 THR CA C 13 62.218 0.20 . . . . . . . 146 THR CA . 15624 1 1675 . 1 . 1 146 146 THR CB C 13 70.572 0.20 . . . . . . . 146 THR CB . 15624 1 1676 . 1 . 1 146 146 THR CG2 C 13 21.220 0.20 . . . . . . . 146 THR CG2 . 15624 1 1677 . 1 . 1 146 146 THR N N 15 111.053 0.10 . . . . . . . 146 THR N . 15624 1 1678 . 1 . 1 147 147 ALA H H 1 7.689 0.02 . . . . . . . 147 ALA H . 15624 1 1679 . 1 . 1 147 147 ALA HA H 1 4.281 0.02 . . . . . . . 147 ALA HA . 15624 1 1680 . 1 . 1 147 147 ALA HB1 H 1 1.420 0.02 . . . . . . . 147 ALA QB . 15624 1 1681 . 1 . 1 147 147 ALA HB2 H 1 1.420 0.02 . . . . . . . 147 ALA QB . 15624 1 1682 . 1 . 1 147 147 ALA HB3 H 1 1.420 0.02 . . . . . . . 147 ALA QB . 15624 1 1683 . 1 . 1 147 147 ALA C C 13 176.961 0.10 . . . . . . . 147 ALA C . 15624 1 1684 . 1 . 1 147 147 ALA CA C 13 53.005 0.20 . . . . . . . 147 ALA CA . 15624 1 1685 . 1 . 1 147 147 ALA CB C 13 19.169 0.20 . . . . . . . 147 ALA CB . 15624 1 1686 . 1 . 1 147 147 ALA N N 15 127.052 0.10 . . . . . . . 147 ALA N . 15624 1 1687 . 1 . 1 148 148 LYS H H 1 7.959 0.02 . . . . . . . 148 LYS H . 15624 1 1688 . 1 . 1 148 148 LYS HA H 1 3.965 0.02 . . . . . . . 148 LYS HA . 15624 1 1689 . 1 . 1 148 148 LYS HB2 H 1 1.885 0.02 . . . . . . . 148 LYS HB2 . 15624 1 1690 . 1 . 1 148 148 LYS HD2 H 1 1.690 0.02 . . . . . . . 148 LYS HD2 . 15624 1 1691 . 1 . 1 148 148 LYS HE2 H 1 3.036 0.02 . . . . . . . 148 LYS HE2 . 15624 1 1692 . 1 . 1 148 148 LYS HE3 H 1 3.036 0.02 . . . . . . . 148 LYS HE3 . 15624 1 1693 . 1 . 1 148 148 LYS HG2 H 1 1.522 0.02 . . . . . . . 148 LYS HG2 . 15624 1 1694 . 1 . 1 148 148 LYS HG3 H 1 1.522 0.02 . . . . . . . 148 LYS HG3 . 15624 1 1695 . 1 . 1 148 148 LYS C C 13 181.728 0.10 . . . . . . . 148 LYS C . 15624 1 1696 . 1 . 1 148 148 LYS CA C 13 57.843 0.20 . . . . . . . 148 LYS CA . 15624 1 1697 . 1 . 1 148 148 LYS CB C 13 32.225 0.20 . . . . . . . 148 LYS CB . 15624 1 1698 . 1 . 1 148 148 LYS CG C 13 24.569 0.20 . . . . . . . 148 LYS CG . 15624 1 1699 . 1 . 1 148 148 LYS N N 15 126.436 0.10 . . . . . . . 148 LYS N . 15624 1 1700 . 2 . 2 1 1 ALA H H 1 7.500 0.02 . . . . . . . 1 ALA H . 15624 1 1701 . 2 . 2 1 1 ALA HA H 1 4.137 0.02 . . . . . . . 1 ALA HA . 15624 1 1702 . 2 . 2 1 1 ALA HB1 H 1 1.592 0.02 . . . . . . . 1 ALA QB . 15624 1 1703 . 2 . 2 1 1 ALA HB2 H 1 1.592 0.02 . . . . . . . 1 ALA QB . 15624 1 1704 . 2 . 2 1 1 ALA HB3 H 1 1.592 0.02 . . . . . . . 1 ALA QB . 15624 1 1705 . 2 . 2 1 1 ALA CA C 13 51.696 0.20 . . . . . . . 1 ALA CA . 15624 1 1706 . 2 . 2 1 1 ALA CB C 13 19.313 0.20 . . . . . . . 1 ALA CB . 15624 1 1707 . 2 . 2 1 1 ALA N N 15 129.245 0.10 . . . . . . . 1 ALA N . 15624 1 1708 . 2 . 2 2 2 ARG HA H 1 4.186 0.02 . . . . . . . 2 ARG HA . 15624 1 1709 . 2 . 2 2 2 ARG HB2 H 1 2.021 0.02 . . . . . . . 2 ARG HB2 . 15624 1 1710 . 2 . 2 2 2 ARG HB3 H 1 1.924 0.02 . . . . . . . 2 ARG HB3 . 15624 1 1711 . 2 . 2 2 2 ARG HD2 H 1 3.212 0.02 . . . . . . . 2 ARG HD2 . 15624 1 1712 . 2 . 2 2 2 ARG HD3 H 1 3.223 0.02 . . . . . . . 2 ARG HD3 . 15624 1 1713 . 2 . 2 2 2 ARG HG2 H 1 1.753 0.02 . . . . . . . 2 ARG HG2 . 15624 1 1714 . 2 . 2 2 2 ARG HG3 H 1 1.680 0.02 . . . . . . . 2 ARG HG3 . 15624 1 1715 . 2 . 2 2 2 ARG CA C 13 58.108 0.20 . . . . . . . 2 ARG CA . 15624 1 1716 . 2 . 2 2 2 ARG CB C 13 29.834 0.20 . . . . . . . 2 ARG CB . 15624 1 1717 . 2 . 2 2 2 ARG CD C 13 43.418 0.20 . . . . . . . 2 ARG CD . 15624 1 1718 . 2 . 2 2 2 ARG CG C 13 26.553 0.20 . . . . . . . 2 ARG CG . 15624 1 1719 . 2 . 2 3 3 LYS H H 1 8.495 0.02 . . . . . . . 3 LYS H . 15624 1 1720 . 2 . 2 3 3 LYS HA H 1 3.841 0.02 . . . . . . . 3 LYS HA . 15624 1 1721 . 2 . 2 3 3 LYS HB2 H 1 1.906 0.02 . . . . . . . 3 LYS HB2 . 15624 1 1722 . 2 . 2 3 3 LYS HB3 H 1 1.746 0.02 . . . . . . . 3 LYS HB3 . 15624 1 1723 . 2 . 2 3 3 LYS HD2 H 1 1.688 0.02 . . . . . . . 3 LYS HD2 . 15624 1 1724 . 2 . 2 3 3 LYS HD3 H 1 1.688 0.02 . . . . . . . 3 LYS HD3 . 15624 1 1725 . 2 . 2 3 3 LYS HE2 H 1 2.917 0.02 . . . . . . . 3 LYS HE2 . 15624 1 1726 . 2 . 2 3 3 LYS HE3 H 1 3.004 0.02 . . . . . . . 3 LYS HE3 . 15624 1 1727 . 2 . 2 3 3 LYS HG2 H 1 1.418 0.02 . . . . . . . 3 LYS HG2 . 15624 1 1728 . 2 . 2 3 3 LYS HG3 H 1 1.296 0.02 . . . . . . . 3 LYS HG3 . 15624 1 1729 . 2 . 2 3 3 LYS C C 13 177.550 0.10 . . . . . . . 3 LYS C . 15624 1 1730 . 2 . 2 3 3 LYS CA C 13 60.343 0.20 . . . . . . . 3 LYS CA . 15624 1 1731 . 2 . 2 3 3 LYS CB C 13 32.312 0.20 . . . . . . . 3 LYS CB . 15624 1 1732 . 2 . 2 3 3 LYS CD C 13 29.495 0.20 . . . . . . . 3 LYS CD . 15624 1 1733 . 2 . 2 3 3 LYS CE C 13 41.795 0.20 . . . . . . . 3 LYS CE . 15624 1 1734 . 2 . 2 3 3 LYS CG C 13 24.915 0.20 . . . . . . . 3 LYS CG . 15624 1 1735 . 2 . 2 3 3 LYS N N 15 119.183 0.10 . . . . . . . 3 LYS N . 15624 1 1736 . 2 . 2 4 4 GLU HA H 1 4.218 0.02 . . . . . . . 4 GLU HA . 15624 1 1737 . 2 . 2 4 4 GLU HB2 H 1 1.924 0.02 . . . . . . . 4 GLU HB2 . 15624 1 1738 . 2 . 2 4 4 GLU HB3 H 1 1.994 0.02 . . . . . . . 4 GLU HB3 . 15624 1 1739 . 2 . 2 4 4 GLU HG2 H 1 2.338 0.02 . . . . . . . 4 GLU HG2 . 15624 1 1740 . 2 . 2 4 4 GLU HG3 H 1 2.338 0.02 . . . . . . . 4 GLU HG3 . 15624 1 1741 . 2 . 2 4 4 GLU CA C 13 58.108 0.20 . . . . . . . 4 GLU CA . 15624 1 1742 . 2 . 2 4 4 GLU CB C 13 28.401 0.20 . . . . . . . 4 GLU CB . 15624 1 1743 . 2 . 2 4 4 GLU CG C 13 36.161 0.20 . . . . . . . 4 GLU CG . 15624 1 1744 . 2 . 2 5 5 VAL H H 1 7.512 0.02 . . . . . . . 5 VAL H . 15624 1 1745 . 2 . 2 5 5 VAL HA H 1 3.554 0.02 . . . . . . . 5 VAL HA . 15624 1 1746 . 2 . 2 5 5 VAL HB H 1 2.336 0.02 . . . . . . . 5 VAL HB . 15624 1 1747 . 2 . 2 5 5 VAL HG11 H 1 1.151 0.02 . . . . . . . 5 VAL QG1 . 15624 1 1748 . 2 . 2 5 5 VAL HG12 H 1 1.151 0.02 . . . . . . . 5 VAL QG1 . 15624 1 1749 . 2 . 2 5 5 VAL HG13 H 1 1.151 0.02 . . . . . . . 5 VAL QG1 . 15624 1 1750 . 2 . 2 5 5 VAL HG21 H 1 0.966 0.02 . . . . . . . 5 VAL QG2 . 15624 1 1751 . 2 . 2 5 5 VAL HG22 H 1 0.966 0.02 . . . . . . . 5 VAL QG2 . 15624 1 1752 . 2 . 2 5 5 VAL HG23 H 1 0.966 0.02 . . . . . . . 5 VAL QG2 . 15624 1 1753 . 2 . 2 5 5 VAL C C 13 178.364 0.10 . . . . . . . 5 VAL C . 15624 1 1754 . 2 . 2 5 5 VAL CA C 13 67.226 0.20 . . . . . . . 5 VAL CA . 15624 1 1755 . 2 . 2 5 5 VAL CB C 13 31.608 0.20 . . . . . . . 5 VAL CB . 15624 1 1756 . 2 . 2 5 5 VAL CG1 C 13 22.958 0.20 . . . . . . . 5 VAL CG1 . 15624 1 1757 . 2 . 2 5 5 VAL CG2 C 13 21.178 0.20 . . . . . . . 5 VAL CG2 . 15624 1 1758 . 2 . 2 5 5 VAL N N 15 120.226 0.10 . . . . . . . 5 VAL N . 15624 1 1759 . 2 . 2 6 6 ILE H H 1 8.133 0.02 . . . . . . . 6 ILE H . 15624 1 1760 . 2 . 2 6 6 ILE HA H 1 3.466 0.02 . . . . . . . 6 ILE HA . 15624 1 1761 . 2 . 2 6 6 ILE HB H 1 1.918 0.02 . . . . . . . 6 ILE HB . 15624 1 1762 . 2 . 2 6 6 ILE HD11 H 1 0.792 0.02 . . . . . . . 6 ILE QD1 . 15624 1 1763 . 2 . 2 6 6 ILE HD12 H 1 0.792 0.02 . . . . . . . 6 ILE QD1 . 15624 1 1764 . 2 . 2 6 6 ILE HD13 H 1 0.792 0.02 . . . . . . . 6 ILE QD1 . 15624 1 1765 . 2 . 2 6 6 ILE HG12 H 1 1.788 0.02 . . . . . . . 6 ILE HG12 . 15624 1 1766 . 2 . 2 6 6 ILE HG13 H 1 1.788 0.02 . . . . . . . 6 ILE HG13 . 15624 1 1767 . 2 . 2 6 6 ILE HG21 H 1 0.857 0.02 . . . . . . . 6 ILE QG2 . 15624 1 1768 . 2 . 2 6 6 ILE HG22 H 1 0.857 0.02 . . . . . . . 6 ILE QG2 . 15624 1 1769 . 2 . 2 6 6 ILE HG23 H 1 0.857 0.02 . . . . . . . 6 ILE QG2 . 15624 1 1770 . 2 . 2 6 6 ILE C C 13 177.975 0.10 . . . . . . . 6 ILE C . 15624 1 1771 . 2 . 2 6 6 ILE CA C 13 66.254 0.20 . . . . . . . 6 ILE CA . 15624 1 1772 . 2 . 2 6 6 ILE CB C 13 37.412 0.20 . . . . . . . 6 ILE CB . 15624 1 1773 . 2 . 2 6 6 ILE CD1 C 13 13.313 0.20 . . . . . . . 6 ILE CD1 . 15624 1 1774 . 2 . 2 6 6 ILE CG1 C 13 29.949 0.20 . . . . . . . 6 ILE CG1 . 15624 1 1775 . 2 . 2 6 6 ILE CG2 C 13 17.893 0.20 . . . . . . . 6 ILE CG2 . 15624 1 1776 . 2 . 2 6 6 ILE N N 15 118.972 0.10 . . . . . . . 6 ILE N . 15624 1 1777 . 2 . 2 7 7 ARG H H 1 8.297 0.02 . . . . . . . 7 ARG H . 15624 1 1778 . 2 . 2 7 7 ARG HA H 1 3.803 0.02 . . . . . . . 7 ARG HA . 15624 1 1779 . 2 . 2 7 7 ARG HB2 H 1 1.978 0.02 . . . . . . . 7 ARG HB2 . 15624 1 1780 . 2 . 2 7 7 ARG HB3 H 1 1.798 0.02 . . . . . . . 7 ARG HB3 . 15624 1 1781 . 2 . 2 7 7 ARG HD2 H 1 3.215 0.02 . . . . . . . 7 ARG HD2 . 15624 1 1782 . 2 . 2 7 7 ARG HD3 H 1 3.215 0.02 . . . . . . . 7 ARG HD3 . 15624 1 1783 . 2 . 2 7 7 ARG HE H 1 7.245 0.02 . . . . . . . 7 ARG HE . 15624 1 1784 . 2 . 2 7 7 ARG HG2 H 1 1.529 0.02 . . . . . . . 7 ARG HG2 . 15624 1 1785 . 2 . 2 7 7 ARG HG3 H 1 1.500 0.02 . . . . . . . 7 ARG HG3 . 15624 1 1786 . 2 . 2 7 7 ARG C C 13 178.227 0.10 . . . . . . . 7 ARG C . 15624 1 1787 . 2 . 2 7 7 ARG CA C 13 61.437 0.20 . . . . . . . 7 ARG CA . 15624 1 1788 . 2 . 2 7 7 ARG CB C 13 29.825 0.20 . . . . . . . 7 ARG CB . 15624 1 1789 . 2 . 2 7 7 ARG CD C 13 44.428 0.20 . . . . . . . 7 ARG CD . 15624 1 1790 . 2 . 2 7 7 ARG CG C 13 28.251 0.20 . . . . . . . 7 ARG CG . 15624 1 1791 . 2 . 2 7 7 ARG N N 15 118.206 0.10 . . . . . . . 7 ARG N . 15624 1 1792 . 2 . 2 7 7 ARG NE N 15 113.382 0.10 . . . . . . . 7 ARG NE . 15624 1 1793 . 2 . 2 8 8 ASN H H 1 8.406 0.02 . . . . . . . 8 ASN H . 15624 1 1794 . 2 . 2 8 8 ASN HA H 1 4.500 0.02 . . . . . . . 8 ASN HA . 15624 1 1795 . 2 . 2 8 8 ASN HB2 H 1 3.090 0.02 . . . . . . . 8 ASN HB2 . 15624 1 1796 . 2 . 2 8 8 ASN HB3 H 1 2.497 0.02 . . . . . . . 8 ASN HB3 . 15624 1 1797 . 2 . 2 8 8 ASN C C 13 178.106 0.10 . . . . . . . 8 ASN C . 15624 1 1798 . 2 . 2 8 8 ASN CA C 13 56.229 0.20 . . . . . . . 8 ASN CA . 15624 1 1799 . 2 . 2 8 8 ASN CB C 13 38.265 0.20 . . . . . . . 8 ASN CB . 15624 1 1800 . 2 . 2 8 8 ASN N N 15 117.119 0.10 . . . . . . . 8 ASN N . 15624 1 1801 . 2 . 2 9 9 LYS H H 1 8.478 0.02 . . . . . . . 9 LYS H . 15624 1 1802 . 2 . 2 9 9 LYS HA H 1 4.087 0.02 . . . . . . . 9 LYS HA . 15624 1 1803 . 2 . 2 9 9 LYS HB2 H 1 2.306 0.02 . . . . . . . 9 LYS HB2 . 15624 1 1804 . 2 . 2 9 9 LYS HB3 H 1 1.817 0.02 . . . . . . . 9 LYS HB3 . 15624 1 1805 . 2 . 2 9 9 LYS HD2 H 1 1.619 0.02 . . . . . . . 9 LYS HD2 . 15624 1 1806 . 2 . 2 9 9 LYS HD3 H 1 1.619 0.02 . . . . . . . 9 LYS HD3 . 15624 1 1807 . 2 . 2 9 9 LYS HE2 H 1 2.863 0.02 . . . . . . . 9 LYS HE2 . 15624 1 1808 . 2 . 2 9 9 LYS HE3 H 1 2.689 0.02 . . . . . . . 9 LYS HE3 . 15624 1 1809 . 2 . 2 9 9 LYS HG2 H 1 1.373 0.02 . . . . . . . 9 LYS HG2 . 15624 1 1810 . 2 . 2 9 9 LYS HG3 H 1 1.373 0.02 . . . . . . . 9 LYS HG3 . 15624 1 1811 . 2 . 2 9 9 LYS HZ1 H 1 6.843 0.02 . . . . . . . 9 LYS QZ . 15624 1 1812 . 2 . 2 9 9 LYS HZ2 H 1 6.843 0.02 . . . . . . . 9 LYS QZ . 15624 1 1813 . 2 . 2 9 9 LYS HZ3 H 1 6.843 0.02 . . . . . . . 9 LYS QZ . 15624 1 1814 . 2 . 2 9 9 LYS C C 13 177.829 0.10 . . . . . . . 9 LYS C . 15624 1 1815 . 2 . 2 9 9 LYS CA C 13 61.307 0.20 . . . . . . . 9 LYS CA . 15624 1 1816 . 2 . 2 9 9 LYS CB C 13 31.970 0.20 . . . . . . . 9 LYS CB . 15624 1 1817 . 2 . 2 9 9 LYS CE C 13 42.532 0.20 . . . . . . . 9 LYS CE . 15624 1 1818 . 2 . 2 9 9 LYS CG C 13 27.076 0.20 . . . . . . . 9 LYS CG . 15624 1 1819 . 2 . 2 9 9 LYS N N 15 121.244 0.10 . . . . . . . 9 LYS N . 15624 1 1820 . 2 . 2 9 9 LYS NZ N 15 121.002 0.10 . . . . . . . 9 LYS NZ . 15624 1 1821 . 2 . 2 10 10 ILE H H 1 8.324 0.02 . . . . . . . 10 ILE H . 15624 1 1822 . 2 . 2 10 10 ILE HA H 1 3.685 0.02 . . . . . . . 10 ILE HA . 15624 1 1823 . 2 . 2 10 10 ILE HB H 1 2.024 0.02 . . . . . . . 10 ILE HB . 15624 1 1824 . 2 . 2 10 10 ILE HD11 H 1 0.853 0.02 . . . . . . . 10 ILE QD1 . 15624 1 1825 . 2 . 2 10 10 ILE HD12 H 1 0.853 0.02 . . . . . . . 10 ILE QD1 . 15624 1 1826 . 2 . 2 10 10 ILE HD13 H 1 0.853 0.02 . . . . . . . 10 ILE QD1 . 15624 1 1827 . 2 . 2 10 10 ILE HG12 H 1 1.065 0.02 . . . . . . . 10 ILE HG12 . 15624 1 1828 . 2 . 2 10 10 ILE HG13 H 1 1.177 0.02 . . . . . . . 10 ILE HG13 . 15624 1 1829 . 2 . 2 10 10 ILE HG21 H 1 1.177 0.02 . . . . . . . 10 ILE QG2 . 15624 1 1830 . 2 . 2 10 10 ILE HG22 H 1 1.177 0.02 . . . . . . . 10 ILE QG2 . 15624 1 1831 . 2 . 2 10 10 ILE HG23 H 1 1.177 0.02 . . . . . . . 10 ILE QG2 . 15624 1 1832 . 2 . 2 10 10 ILE C C 13 178.055 0.10 . . . . . . . 10 ILE C . 15624 1 1833 . 2 . 2 10 10 ILE CA C 13 66.436 0.20 . . . . . . . 10 ILE CA . 15624 1 1834 . 2 . 2 10 10 ILE CB C 13 37.628 0.20 . . . . . . . 10 ILE CB . 15624 1 1835 . 2 . 2 10 10 ILE CD1 C 13 14.573 0.20 . . . . . . . 10 ILE CD1 . 15624 1 1836 . 2 . 2 10 10 ILE CG1 C 13 29.799 0.20 . . . . . . . 10 ILE CG1 . 15624 1 1837 . 2 . 2 10 10 ILE CG2 C 13 18.120 0.20 . . . . . . . 10 ILE CG2 . 15624 1 1838 . 2 . 2 10 10 ILE N N 15 118.318 0.10 . . . . . . . 10 ILE N . 15624 1 1839 . 2 . 2 11 11 ARG H H 1 8.742 0.02 . . . . . . . 11 ARG H . 15624 1 1840 . 2 . 2 11 11 ARG HA H 1 3.953 0.02 . . . . . . . 11 ARG HA . 15624 1 1841 . 2 . 2 11 11 ARG HB2 H 1 1.926 0.02 . . . . . . . 11 ARG HB2 . 15624 1 1842 . 2 . 2 11 11 ARG HD2 H 1 3.288 0.02 . . . . . . . 11 ARG HD2 . 15624 1 1843 . 2 . 2 11 11 ARG HD3 H 1 3.288 0.02 . . . . . . . 11 ARG HD3 . 15624 1 1844 . 2 . 2 11 11 ARG HE H 1 7.632 0.02 . . . . . . . 11 ARG HE . 15624 1 1845 . 2 . 2 11 11 ARG HG2 H 1 1.861 0.02 . . . . . . . 11 ARG HG2 . 15624 1 1846 . 2 . 2 11 11 ARG HG3 H 1 1.632 0.02 . . . . . . . 11 ARG HG3 . 15624 1 1847 . 2 . 2 11 11 ARG C C 13 178.513 0.10 . . . . . . . 11 ARG C . 15624 1 1848 . 2 . 2 11 11 ARG CA C 13 60.079 0.20 . . . . . . . 11 ARG CA . 15624 1 1849 . 2 . 2 11 11 ARG CB C 13 30.000 0.20 . . . . . . . 11 ARG CB . 15624 1 1850 . 2 . 2 11 11 ARG CD C 13 43.112 0.20 . . . . . . . 11 ARG CD . 15624 1 1851 . 2 . 2 11 11 ARG CG C 13 28.468 0.20 . . . . . . . 11 ARG CG . 15624 1 1852 . 2 . 2 11 11 ARG N N 15 119.320 0.10 . . . . . . . 11 ARG N . 15624 1 1853 . 2 . 2 11 11 ARG NE N 15 114.298 0.10 . . . . . . . 11 ARG NE . 15624 1 1854 . 2 . 2 12 12 ALA H H 1 8.290 0.02 . . . . . . . 12 ALA H . 15624 1 1855 . 2 . 2 12 12 ALA HA H 1 4.089 0.02 . . . . . . . 12 ALA HA . 15624 1 1856 . 2 . 2 12 12 ALA HB1 H 1 1.833 0.02 . . . . . . . 12 ALA QB . 15624 1 1857 . 2 . 2 12 12 ALA HB2 H 1 1.833 0.02 . . . . . . . 12 ALA QB . 15624 1 1858 . 2 . 2 12 12 ALA HB3 H 1 1.833 0.02 . . . . . . . 12 ALA QB . 15624 1 1859 . 2 . 2 12 12 ALA C C 13 179.335 0.10 . . . . . . . 12 ALA C . 15624 1 1860 . 2 . 2 12 12 ALA CA C 13 55.848 0.20 . . . . . . . 12 ALA CA . 15624 1 1861 . 2 . 2 12 12 ALA CB C 13 18.314 0.20 . . . . . . . 12 ALA CB . 15624 1 1862 . 2 . 2 12 12 ALA N N 15 121.132 0.10 . . . . . . . 12 ALA N . 15624 1 1863 . 2 . 2 13 13 ILE H H 1 8.187 0.02 . . . . . . . 13 ILE H . 15624 1 1864 . 2 . 2 13 13 ILE HA H 1 3.931 0.02 . . . . . . . 13 ILE HA . 15624 1 1865 . 2 . 2 13 13 ILE HB H 1 2.329 0.02 . . . . . . . 13 ILE HB . 15624 1 1866 . 2 . 2 13 13 ILE HD11 H 1 0.858 0.02 . . . . . . . 13 ILE QD1 . 15624 1 1867 . 2 . 2 13 13 ILE HD12 H 1 0.858 0.02 . . . . . . . 13 ILE QD1 . 15624 1 1868 . 2 . 2 13 13 ILE HD13 H 1 0.858 0.02 . . . . . . . 13 ILE QD1 . 15624 1 1869 . 2 . 2 13 13 ILE HG12 H 1 1.788 0.02 . . . . . . . 13 ILE HG12 . 15624 1 1870 . 2 . 2 13 13 ILE HG13 H 1 1.597 0.02 . . . . . . . 13 ILE HG13 . 15624 1 1871 . 2 . 2 13 13 ILE HG21 H 1 0.953 0.02 . . . . . . . 13 ILE QG2 . 15624 1 1872 . 2 . 2 13 13 ILE HG22 H 1 0.953 0.02 . . . . . . . 13 ILE QG2 . 15624 1 1873 . 2 . 2 13 13 ILE HG23 H 1 0.953 0.02 . . . . . . . 13 ILE QG2 . 15624 1 1874 . 2 . 2 13 13 ILE C C 13 178.087 0.10 . . . . . . . 13 ILE C . 15624 1 1875 . 2 . 2 13 13 ILE CA C 13 64.038 0.20 . . . . . . . 13 ILE CA . 15624 1 1876 . 2 . 2 13 13 ILE CB C 13 36.937 0.20 . . . . . . . 13 ILE CB . 15624 1 1877 . 2 . 2 13 13 ILE CD1 C 13 12.841 0.20 . . . . . . . 13 ILE CD1 . 15624 1 1878 . 2 . 2 13 13 ILE CG1 C 13 28.474 0.20 . . . . . . . 13 ILE CG1 . 15624 1 1879 . 2 . 2 13 13 ILE CG2 C 13 18.202 0.20 . . . . . . . 13 ILE CG2 . 15624 1 1880 . 2 . 2 13 13 ILE N N 15 116.507 0.10 . . . . . . . 13 ILE N . 15624 1 1881 . 2 . 2 14 14 GLY H H 1 8.735 0.02 . . . . . . . 14 GLY H . 15624 1 1882 . 2 . 2 14 14 GLY HA2 H 1 4.061 0.02 . . . . . . . 14 GLY HA2 . 15624 1 1883 . 2 . 2 14 14 GLY HA3 H 1 3.711 0.02 . . . . . . . 14 GLY HA3 . 15624 1 1884 . 2 . 2 14 14 GLY C C 13 175.096 0.10 . . . . . . . 14 GLY C . 15624 1 1885 . 2 . 2 14 14 GLY CA C 13 48.302 0.20 . . . . . . . 14 GLY CA . 15624 1 1886 . 2 . 2 14 14 GLY N N 15 108.208 0.10 . . . . . . . 14 GLY N . 15624 1 1887 . 2 . 2 15 15 LYS H H 1 8.324 0.02 . . . . . . . 15 LYS H . 15624 1 1888 . 2 . 2 15 15 LYS HA H 1 3.960 0.02 . . . . . . . 15 LYS HA . 15624 1 1889 . 2 . 2 15 15 LYS HB2 H 1 2.005 0.02 . . . . . . . 15 LYS HB2 . 15624 1 1890 . 2 . 2 15 15 LYS HB3 H 1 1.788 0.02 . . . . . . . 15 LYS HB3 . 15624 1 1891 . 2 . 2 15 15 LYS HD2 H 1 1.632 0.02 . . . . . . . 15 LYS HD2 . 15624 1 1892 . 2 . 2 15 15 LYS HD3 H 1 1.632 0.02 . . . . . . . 15 LYS HD3 . 15624 1 1893 . 2 . 2 15 15 LYS HE2 H 1 3.138 0.02 . . . . . . . 15 LYS HE2 . 15624 1 1894 . 2 . 2 15 15 LYS HE3 H 1 2.853 0.02 . . . . . . . 15 LYS HE3 . 15624 1 1895 . 2 . 2 15 15 LYS HG2 H 1 1.534 0.02 . . . . . . . 15 LYS HG2 . 15624 1 1896 . 2 . 2 15 15 LYS HG3 H 1 1.534 0.02 . . . . . . . 15 LYS HG3 . 15624 1 1897 . 2 . 2 15 15 LYS HZ1 H 1 8.835 0.02 . . . . . . . 15 LYS QZ . 15624 1 1898 . 2 . 2 15 15 LYS HZ2 H 1 8.835 0.02 . . . . . . . 15 LYS QZ . 15624 1 1899 . 2 . 2 15 15 LYS HZ3 H 1 8.835 0.02 . . . . . . . 15 LYS QZ . 15624 1 1900 . 2 . 2 15 15 LYS C C 13 179.143 0.10 . . . . . . . 15 LYS C . 15624 1 1901 . 2 . 2 15 15 LYS CA C 13 60.079 0.20 . . . . . . . 15 LYS CA . 15624 1 1902 . 2 . 2 15 15 LYS CB C 13 32.324 0.20 . . . . . . . 15 LYS CB . 15624 1 1903 . 2 . 2 15 15 LYS CD C 13 29.700 0.20 . . . . . . . 15 LYS CD . 15624 1 1904 . 2 . 2 15 15 LYS CE C 13 41.616 0.20 . . . . . . . 15 LYS CE . 15624 1 1905 . 2 . 2 15 15 LYS CG C 13 25.440 0.20 . . . . . . . 15 LYS CG . 15624 1 1906 . 2 . 2 15 15 LYS N N 15 120.296 0.10 . . . . . . . 15 LYS N . 15624 1 1907 . 2 . 2 15 15 LYS NZ N 15 120.000 0.10 . . . . . . . 15 LYS NZ . 15624 1 1908 . 2 . 2 16 16 MET H H 1 8.092 0.02 . . . . . . . 16 MET H . 15624 1 1909 . 2 . 2 16 16 MET HA H 1 4.160 0.02 . . . . . . . 16 MET HA . 15624 1 1910 . 2 . 2 16 16 MET HB2 H 1 2.613 0.02 . . . . . . . 16 MET HB2 . 15624 1 1911 . 2 . 2 16 16 MET HB3 H 1 2.604 0.02 . . . . . . . 16 MET HB3 . 15624 1 1912 . 2 . 2 16 16 MET HE1 H 1 1.732 0.02 . . . . . . . 16 MET QE . 15624 1 1913 . 2 . 2 16 16 MET HE2 H 1 1.732 0.02 . . . . . . . 16 MET QE . 15624 1 1914 . 2 . 2 16 16 MET HE3 H 1 1.732 0.02 . . . . . . . 16 MET QE . 15624 1 1915 . 2 . 2 16 16 MET HG2 H 1 2.225 0.02 . . . . . . . 16 MET HG2 . 15624 1 1916 . 2 . 2 16 16 MET HG3 H 1 2.030 0.02 . . . . . . . 16 MET HG3 . 15624 1 1917 . 2 . 2 16 16 MET C C 13 177.467 0.10 . . . . . . . 16 MET C . 15624 1 1918 . 2 . 2 16 16 MET CA C 13 58.108 0.20 . . . . . . . 16 MET CA . 15624 1 1919 . 2 . 2 16 16 MET CB C 13 32.801 0.20 . . . . . . . 16 MET CB . 15624 1 1920 . 2 . 2 16 16 MET CE C 13 17.311 0.20 . . . . . . . 16 MET CE . 15624 1 1921 . 2 . 2 16 16 MET N N 15 116.895 0.10 . . . . . . . 16 MET N . 15624 1 1922 . 2 . 2 17 17 ALA H H 1 8.964 0.02 . . . . . . . 17 ALA H . 15624 1 1923 . 2 . 2 17 17 ALA HA H 1 4.092 0.02 . . . . . . . 17 ALA HA . 15624 1 1924 . 2 . 2 17 17 ALA HB1 H 1 1.502 0.02 . . . . . . . 17 ALA QB . 15624 1 1925 . 2 . 2 17 17 ALA HB2 H 1 1.502 0.02 . . . . . . . 17 ALA QB . 15624 1 1926 . 2 . 2 17 17 ALA HB3 H 1 1.502 0.02 . . . . . . . 17 ALA QB . 15624 1 1927 . 2 . 2 17 17 ALA C C 13 179.839 0.10 . . . . . . . 17 ALA C . 15624 1 1928 . 2 . 2 17 17 ALA CA C 13 54.958 0.20 . . . . . . . 17 ALA CA . 15624 1 1929 . 2 . 2 17 17 ALA CB C 13 18.371 0.20 . . . . . . . 17 ALA CB . 15624 1 1930 . 2 . 2 17 17 ALA N N 15 120.657 0.10 . . . . . . . 17 ALA N . 15624 1 1931 . 2 . 2 18 18 ARG H H 1 8.200 0.02 . . . . . . . 18 ARG H . 15624 1 1932 . 2 . 2 18 18 ARG HA H 1 4.077 0.02 . . . . . . . 18 ARG HA . 15624 1 1933 . 2 . 2 18 18 ARG HB2 H 1 2.173 0.02 . . . . . . . 18 ARG HB2 . 15624 1 1934 . 2 . 2 18 18 ARG HB3 H 1 1.897 0.02 . . . . . . . 18 ARG HB3 . 15624 1 1935 . 2 . 2 18 18 ARG HD2 H 1 3.210 0.02 . . . . . . . 18 ARG HD2 . 15624 1 1936 . 2 . 2 18 18 ARG HD3 H 1 3.210 0.02 . . . . . . . 18 ARG HD3 . 15624 1 1937 . 2 . 2 18 18 ARG HE H 1 7.737 0.02 . . . . . . . 18 ARG HE . 15624 1 1938 . 2 . 2 18 18 ARG HG2 H 1 1.733 0.02 . . . . . . . 18 ARG HG2 . 15624 1 1939 . 2 . 2 18 18 ARG HG3 H 1 1.733 0.02 . . . . . . . 18 ARG HG3 . 15624 1 1940 . 2 . 2 18 18 ARG C C 13 178.230 0.10 . . . . . . . 18 ARG C . 15624 1 1941 . 2 . 2 18 18 ARG CA C 13 59.190 0.20 . . . . . . . 18 ARG CA . 15624 1 1942 . 2 . 2 18 18 ARG CB C 13 29.288 0.20 . . . . . . . 18 ARG CB . 15624 1 1943 . 2 . 2 18 18 ARG CD C 13 43.658 0.20 . . . . . . . 18 ARG CD . 15624 1 1944 . 2 . 2 18 18 ARG CG C 13 27.435 0.20 . . . . . . . 18 ARG CG . 15624 1 1945 . 2 . 2 18 18 ARG N N 15 118.402 0.10 . . . . . . . 18 ARG N . 15624 1 1946 . 2 . 2 18 18 ARG NE N 15 114.607 0.10 . . . . . . . 18 ARG NE . 15624 1 1947 . 2 . 2 19 19 VAL H H 1 7.754 0.02 . . . . . . . 19 VAL H . 15624 1 1948 . 2 . 2 19 19 VAL HA H 1 3.699 0.02 . . . . . . . 19 VAL HA . 15624 1 1949 . 2 . 2 19 19 VAL HB H 1 2.156 0.02 . . . . . . . 19 VAL HB . 15624 1 1950 . 2 . 2 19 19 VAL HG11 H 1 1.048 0.02 . . . . . . . 19 VAL QG1 . 15624 1 1951 . 2 . 2 19 19 VAL HG12 H 1 1.048 0.02 . . . . . . . 19 VAL QG1 . 15624 1 1952 . 2 . 2 19 19 VAL HG13 H 1 1.048 0.02 . . . . . . . 19 VAL QG1 . 15624 1 1953 . 2 . 2 19 19 VAL HG21 H 1 0.852 0.02 . . . . . . . 19 VAL QG2 . 15624 1 1954 . 2 . 2 19 19 VAL HG22 H 1 0.852 0.02 . . . . . . . 19 VAL QG2 . 15624 1 1955 . 2 . 2 19 19 VAL HG23 H 1 0.852 0.02 . . . . . . . 19 VAL QG2 . 15624 1 1956 . 2 . 2 19 19 VAL C C 13 177.385 0.10 . . . . . . . 19 VAL C . 15624 1 1957 . 2 . 2 19 19 VAL CA C 13 66.211 0.20 . . . . . . . 19 VAL CA . 15624 1 1958 . 2 . 2 19 19 VAL CB C 13 31.366 0.20 . . . . . . . 19 VAL CB . 15624 1 1959 . 2 . 2 19 19 VAL CG1 C 13 22.589 0.20 . . . . . . . 19 VAL CG1 . 15624 1 1960 . 2 . 2 19 19 VAL CG2 C 13 21.839 0.20 . . . . . . . 19 VAL CG2 . 15624 1 1961 . 2 . 2 19 19 VAL N N 15 118.994 0.10 . . . . . . . 19 VAL N . 15624 1 1962 . 2 . 2 20 20 PHE H H 1 7.984 0.02 . . . . . . . 20 PHE H . 15624 1 1963 . 2 . 2 20 20 PHE HA H 1 4.481 0.02 . . . . . . . 20 PHE HA . 15624 1 1964 . 2 . 2 20 20 PHE HB2 H 1 3.264 0.02 . . . . . . . 20 PHE HB2 . 15624 1 1965 . 2 . 2 20 20 PHE HB3 H 1 3.214 0.02 . . . . . . . 20 PHE HB3 . 15624 1 1966 . 2 . 2 20 20 PHE HE1 H 1 7.304 0.02 . . . . . . . 20 PHE HE1 . 15624 1 1967 . 2 . 2 20 20 PHE HE2 H 1 7.304 0.02 . . . . . . . 20 PHE HE2 . 15624 1 1968 . 2 . 2 20 20 PHE C C 13 176.975 0.10 . . . . . . . 20 PHE C . 15624 1 1969 . 2 . 2 20 20 PHE CA C 13 59.470 0.20 . . . . . . . 20 PHE CA . 15624 1 1970 . 2 . 2 20 20 PHE CB C 13 38.745 0.20 . . . . . . . 20 PHE CB . 15624 1 1971 . 2 . 2 20 20 PHE N N 15 117.529 0.10 . . . . . . . 20 PHE N . 15624 1 1972 . 2 . 2 21 21 SER H H 1 8.034 0.02 . . . . . . . 21 SER H . 15624 1 1973 . 2 . 2 21 21 SER HA H 1 4.144 0.02 . . . . . . . 21 SER HA . 15624 1 1974 . 2 . 2 21 21 SER HB2 H 1 3.984 0.02 . . . . . . . 21 SER HB2 . 15624 1 1975 . 2 . 2 21 21 SER HB3 H 1 3.984 0.02 . . . . . . . 21 SER HB3 . 15624 1 1976 . 2 . 2 21 21 SER C C 13 175.972 0.10 . . . . . . . 21 SER C . 15624 1 1977 . 2 . 2 21 21 SER CA C 13 60.580 0.20 . . . . . . . 21 SER CA . 15624 1 1978 . 2 . 2 21 21 SER CB C 13 63.400 0.20 . . . . . . . 21 SER CB . 15624 1 1979 . 2 . 2 21 21 SER N N 15 113.698 0.10 . . . . . . . 21 SER N . 15624 1 1980 . 2 . 2 22 22 VAL H H 1 7.647 0.02 . . . . . . . 22 VAL H . 15624 1 1981 . 2 . 2 22 22 VAL HA H 1 4.176 0.02 . . . . . . . 22 VAL HA . 15624 1 1982 . 2 . 2 22 22 VAL HB H 1 2.281 0.02 . . . . . . . 22 VAL HB . 15624 1 1983 . 2 . 2 22 22 VAL HG11 H 1 0.998 0.02 . . . . . . . 22 VAL QG1 . 15624 1 1984 . 2 . 2 22 22 VAL HG12 H 1 0.998 0.02 . . . . . . . 22 VAL QG1 . 15624 1 1985 . 2 . 2 22 22 VAL HG13 H 1 0.998 0.02 . . . . . . . 22 VAL QG1 . 15624 1 1986 . 2 . 2 22 22 VAL HG21 H 1 0.950 0.02 . . . . . . . 22 VAL QG2 . 15624 1 1987 . 2 . 2 22 22 VAL HG22 H 1 0.950 0.02 . . . . . . . 22 VAL QG2 . 15624 1 1988 . 2 . 2 22 22 VAL HG23 H 1 0.950 0.02 . . . . . . . 22 VAL QG2 . 15624 1 1989 . 2 . 2 22 22 VAL C C 13 176.759 0.10 . . . . . . . 22 VAL C . 15624 1 1990 . 2 . 2 22 22 VAL CA C 13 63.039 0.20 . . . . . . . 22 VAL CA . 15624 1 1991 . 2 . 2 22 22 VAL CB C 13 31.692 0.20 . . . . . . . 22 VAL CB . 15624 1 1992 . 2 . 2 22 22 VAL CG1 C 13 20.699 0.20 . . . . . . . 22 VAL CG1 . 15624 1 1993 . 2 . 2 22 22 VAL CG2 C 13 21.085 0.20 . . . . . . . 22 VAL CG2 . 15624 1 1994 . 2 . 2 22 22 VAL N N 15 118.114 0.10 . . . . . . . 22 VAL N . 15624 1 1995 . 2 . 2 23 23 LEU H H 1 7.710 0.02 . . . . . . . 23 LEU H . 15624 1 1996 . 2 . 2 23 23 LEU HA H 1 4.282 0.02 . . . . . . . 23 LEU HA . 15624 1 1997 . 2 . 2 23 23 LEU HB2 H 1 1.794 0.02 . . . . . . . 23 LEU HB2 . 15624 1 1998 . 2 . 2 23 23 LEU HB3 H 1 1.625 0.02 . . . . . . . 23 LEU HB3 . 15624 1 1999 . 2 . 2 23 23 LEU HD11 H 1 0.859 0.02 . . . . . . . 23 LEU QD1 . 15624 1 2000 . 2 . 2 23 23 LEU HD12 H 1 0.859 0.02 . . . . . . . 23 LEU QD1 . 15624 1 2001 . 2 . 2 23 23 LEU HD13 H 1 0.859 0.02 . . . . . . . 23 LEU QD1 . 15624 1 2002 . 2 . 2 23 23 LEU HD21 H 1 0.926 0.02 . . . . . . . 23 LEU QD2 . 15624 1 2003 . 2 . 2 23 23 LEU HD22 H 1 0.926 0.02 . . . . . . . 23 LEU QD2 . 15624 1 2004 . 2 . 2 23 23 LEU HD23 H 1 0.926 0.02 . . . . . . . 23 LEU QD2 . 15624 1 2005 . 2 . 2 23 23 LEU HG H 1 1.794 0.02 . . . . . . . 23 LEU HG . 15624 1 2006 . 2 . 2 23 23 LEU C C 13 176.724 0.10 . . . . . . . 23 LEU C . 15624 1 2007 . 2 . 2 23 23 LEU CA C 13 55.734 0.20 . . . . . . . 23 LEU CA . 15624 1 2008 . 2 . 2 23 23 LEU CB C 13 42.310 0.20 . . . . . . . 23 LEU CB . 15624 1 2009 . 2 . 2 23 23 LEU CD1 C 13 22.999 0.20 . . . . . . . 23 LEU CD1 . 15624 1 2010 . 2 . 2 23 23 LEU CD2 C 13 26.267 0.20 . . . . . . . 23 LEU CD2 . 15624 1 2011 . 2 . 2 23 23 LEU CG C 13 26.322 0.20 . . . . . . . 23 LEU CG . 15624 1 2012 . 2 . 2 23 23 LEU N N 15 121.936 0.10 . . . . . . . 23 LEU N . 15624 1 2013 . 2 . 2 24 24 ARG H H 1 7.426 0.02 . . . . . . . 24 ARG H . 15624 1 2014 . 2 . 2 24 24 ARG HA H 1 4.148 0.02 . . . . . . . 24 ARG HA . 15624 1 2015 . 2 . 2 24 24 ARG HB2 H 1 1.736 0.02 . . . . . . . 24 ARG HB2 . 15624 1 2016 . 2 . 2 24 24 ARG HB3 H 1 1.615 0.02 . . . . . . . 24 ARG HB3 . 15624 1 2017 . 2 . 2 24 24 ARG HD2 H 1 3.076 0.02 . . . . . . . 24 ARG HD2 . 15624 1 2018 . 2 . 2 24 24 ARG HD3 H 1 2.996 0.02 . . . . . . . 24 ARG HD3 . 15624 1 2019 . 2 . 2 24 24 ARG HG2 H 1 1.474 0.02 . . . . . . . 24 ARG HG2 . 15624 1 2020 . 2 . 2 24 24 ARG HG3 H 1 1.476 0.02 . . . . . . . 24 ARG HG3 . 15624 1 2021 . 2 . 2 24 24 ARG C C 13 180.860 0.10 . . . . . . . 24 ARG C . 15624 1 2022 . 2 . 2 24 24 ARG CA C 13 57.336 0.20 . . . . . . . 24 ARG CA . 15624 1 2023 . 2 . 2 24 24 ARG CB C 13 31.545 0.20 . . . . . . . 24 ARG CB . 15624 1 2024 . 2 . 2 24 24 ARG CD C 13 43.534 0.20 . . . . . . . 24 ARG CD . 15624 1 2025 . 2 . 2 24 24 ARG CG C 13 26.760 0.20 . . . . . . . 24 ARG CG . 15624 1 2026 . 2 . 2 24 24 ARG N N 15 125.013 0.10 . . . . . . . 24 ARG N . 15624 1 stop_ save_