data_51034 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51034 _Entry.Title ; WT Pin1 with pCDC25c ligand ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-07-28 _Entry.Accession_date 2021-07-28 _Entry.Last_release_date 2021-07-28 _Entry.Original_release_date 2021-07-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Chemical shifts of WT full-length Pin1 with 5x pCDC25c ligand' _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 Alexandra Born . . . 0000-0001-8258-0982 51034 2 Janne Soetbeer . . . . 51034 3 Morkos Henen . . . . 51034 4 Frauke Breitgoff . . . . 51034 5 Parker Nichols . . . . 51034 6 Gunnar Jeschke . . . . 51034 7 Beat Vogeli . . . . 51034 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51034 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 524 51034 '15N chemical shifts' 168 51034 '1H chemical shifts' 1090 51034 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 . . 2022-08-11 . original BMRB . 51034 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27579 'WT full-length apo Pin1' 51034 BMRB 51043 'WT Pin1 with 5x FFpSPR ligand' 51034 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51034 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35927276 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Ligand-specific conformational change drives interdomain allostery in Pin1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 4546 _Citation.Page_last 4546 _Citation.Year 2022 _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 Alexandra Born . . . . 51034 1 2 Janne Soetbeer . . . . 51034 1 3 Morkos Henen . . . . 51034 1 4 Frauke Breitgoff . . . . 51034 1 5 Parker Nichols . . . . 51034 1 6 Gunnar Jeschke . . . . 51034 1 7 Beat Vogeli . . . . 51034 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51034 _Assembly.ID 1 _Assembly.Name 'Pin1 + pCDC25c' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Pin1 1 $entity_1 . . yes native no no . . . 51034 1 2 pCDC25c 2 $entity_2 . . no native no no . . . 51034 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51034 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MADEEKLPPGWEKRMSRSSG RVYYFNHITNASQWERPSGN SSSGGKNGQGEPARVRCSHL LVKHSQSRRPSSWRQEKITR TKEEALELINGYIQKIKSGE EDFESLASQFSDCSSAKARG DLGAFSRGQMQKPFEDASFA LRTGEMSGPVFTDSGIHIIL RTE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 163 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 BMRB 27579 . 'WT Apo Pin1' . . . . . . . . . . . . . . 51034 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Prolyl isomerase' 51034 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 . MET . 51034 1 2 . ALA . 51034 1 3 . ASP . 51034 1 4 . GLU . 51034 1 5 . GLU . 51034 1 6 . LYS . 51034 1 7 . LEU . 51034 1 8 . PRO . 51034 1 9 . PRO . 51034 1 10 . GLY . 51034 1 11 . TRP . 51034 1 12 . GLU . 51034 1 13 . LYS . 51034 1 14 . ARG . 51034 1 15 . MET . 51034 1 16 . SER . 51034 1 17 . ARG . 51034 1 18 . SER . 51034 1 19 . SER . 51034 1 20 . GLY . 51034 1 21 . ARG . 51034 1 22 . VAL . 51034 1 23 . TYR . 51034 1 24 . TYR . 51034 1 25 . PHE . 51034 1 26 . ASN . 51034 1 27 . HIS . 51034 1 28 . ILE . 51034 1 29 . THR . 51034 1 30 . ASN . 51034 1 31 . ALA . 51034 1 32 . SER . 51034 1 33 . GLN . 51034 1 34 . TRP . 51034 1 35 . GLU . 51034 1 36 . ARG . 51034 1 37 . PRO . 51034 1 38 . SER . 51034 1 39 . GLY . 51034 1 40 . ASN . 51034 1 41 . SER . 51034 1 42 . SER . 51034 1 43 . SER . 51034 1 44 . GLY . 51034 1 45 . GLY . 51034 1 46 . LYS . 51034 1 47 . ASN . 51034 1 48 . GLY . 51034 1 49 . GLN . 51034 1 50 . GLY . 51034 1 51 . GLU . 51034 1 52 . PRO . 51034 1 53 . ALA . 51034 1 54 . ARG . 51034 1 55 . VAL . 51034 1 56 . ARG . 51034 1 57 . CYS . 51034 1 58 . SER . 51034 1 59 . HIS . 51034 1 60 . LEU . 51034 1 61 . LEU . 51034 1 62 . VAL . 51034 1 63 . LYS . 51034 1 64 . HIS . 51034 1 65 . SER . 51034 1 66 . GLN . 51034 1 67 . SER . 51034 1 68 . ARG . 51034 1 69 . ARG . 51034 1 70 . PRO . 51034 1 71 . SER . 51034 1 72 . SER . 51034 1 73 . TRP . 51034 1 74 . ARG . 51034 1 75 . GLN . 51034 1 76 . GLU . 51034 1 77 . LYS . 51034 1 78 . ILE . 51034 1 79 . THR . 51034 1 80 . ARG . 51034 1 81 . THR . 51034 1 82 . LYS . 51034 1 83 . GLU . 51034 1 84 . GLU . 51034 1 85 . ALA . 51034 1 86 . LEU . 51034 1 87 . GLU . 51034 1 88 . LEU . 51034 1 89 . ILE . 51034 1 90 . ASN . 51034 1 91 . GLY . 51034 1 92 . TYR . 51034 1 93 . ILE . 51034 1 94 . GLN . 51034 1 95 . LYS . 51034 1 96 . ILE . 51034 1 97 . LYS . 51034 1 98 . SER . 51034 1 99 . GLY . 51034 1 100 . GLU . 51034 1 101 . GLU . 51034 1 102 . ASP . 51034 1 103 . PHE . 51034 1 104 . GLU . 51034 1 105 . SER . 51034 1 106 . LEU . 51034 1 107 . ALA . 51034 1 108 . SER . 51034 1 109 . GLN . 51034 1 110 . PHE . 51034 1 111 . SER . 51034 1 112 . ASP . 51034 1 113 . CYS . 51034 1 114 . SER . 51034 1 115 . SER . 51034 1 116 . ALA . 51034 1 117 . LYS . 51034 1 118 . ALA . 51034 1 119 . ARG . 51034 1 120 . GLY . 51034 1 121 . ASP . 51034 1 122 . LEU . 51034 1 123 . GLY . 51034 1 124 . ALA . 51034 1 125 . PHE . 51034 1 126 . SER . 51034 1 127 . ARG . 51034 1 128 . GLY . 51034 1 129 . GLN . 51034 1 130 . MET . 51034 1 131 . GLN . 51034 1 132 . LYS . 51034 1 133 . PRO . 51034 1 134 . PHE . 51034 1 135 . GLU . 51034 1 136 . ASP . 51034 1 137 . ALA . 51034 1 138 . SER . 51034 1 139 . PHE . 51034 1 140 . ALA . 51034 1 141 . LEU . 51034 1 142 . ARG . 51034 1 143 . THR . 51034 1 144 . GLY . 51034 1 145 . GLU . 51034 1 146 . MET . 51034 1 147 . SER . 51034 1 148 . GLY . 51034 1 149 . PRO . 51034 1 150 . VAL . 51034 1 151 . PHE . 51034 1 152 . THR . 51034 1 153 . ASP . 51034 1 154 . SER . 51034 1 155 . GLY . 51034 1 156 . ILE . 51034 1 157 . HIS . 51034 1 158 . ILE . 51034 1 159 . ILE . 51034 1 160 . LEU . 51034 1 161 . ARG . 51034 1 162 . THR . 51034 1 163 . GLU . 51034 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 . MET 1 1 51034 1 . ALA 2 2 51034 1 . ASP 3 3 51034 1 . GLU 4 4 51034 1 . GLU 5 5 51034 1 . LYS 6 6 51034 1 . LEU 7 7 51034 1 . PRO 8 8 51034 1 . PRO 9 9 51034 1 . GLY 10 10 51034 1 . TRP 11 11 51034 1 . GLU 12 12 51034 1 . LYS 13 13 51034 1 . ARG 14 14 51034 1 . MET 15 15 51034 1 . SER 16 16 51034 1 . ARG 17 17 51034 1 . SER 18 18 51034 1 . SER 19 19 51034 1 . GLY 20 20 51034 1 . ARG 21 21 51034 1 . VAL 22 22 51034 1 . TYR 23 23 51034 1 . TYR 24 24 51034 1 . PHE 25 25 51034 1 . ASN 26 26 51034 1 . HIS 27 27 51034 1 . ILE 28 28 51034 1 . THR 29 29 51034 1 . ASN 30 30 51034 1 . ALA 31 31 51034 1 . SER 32 32 51034 1 . GLN 33 33 51034 1 . TRP 34 34 51034 1 . GLU 35 35 51034 1 . ARG 36 36 51034 1 . PRO 37 37 51034 1 . SER 38 38 51034 1 . GLY 39 39 51034 1 . ASN 40 40 51034 1 . SER 41 41 51034 1 . SER 42 42 51034 1 . SER 43 43 51034 1 . GLY 44 44 51034 1 . GLY 45 45 51034 1 . LYS 46 46 51034 1 . ASN 47 47 51034 1 . GLY 48 48 51034 1 . GLN 49 49 51034 1 . GLY 50 50 51034 1 . GLU 51 51 51034 1 . PRO 52 52 51034 1 . ALA 53 53 51034 1 . ARG 54 54 51034 1 . VAL 55 55 51034 1 . ARG 56 56 51034 1 . CYS 57 57 51034 1 . SER 58 58 51034 1 . HIS 59 59 51034 1 . LEU 60 60 51034 1 . LEU 61 61 51034 1 . VAL 62 62 51034 1 . LYS 63 63 51034 1 . HIS 64 64 51034 1 . SER 65 65 51034 1 . GLN 66 66 51034 1 . SER 67 67 51034 1 . ARG 68 68 51034 1 . ARG 69 69 51034 1 . PRO 70 70 51034 1 . SER 71 71 51034 1 . SER 72 72 51034 1 . TRP 73 73 51034 1 . ARG 74 74 51034 1 . GLN 75 75 51034 1 . GLU 76 76 51034 1 . LYS 77 77 51034 1 . ILE 78 78 51034 1 . THR 79 79 51034 1 . ARG 80 80 51034 1 . THR 81 81 51034 1 . LYS 82 82 51034 1 . GLU 83 83 51034 1 . GLU 84 84 51034 1 . ALA 85 85 51034 1 . LEU 86 86 51034 1 . GLU 87 87 51034 1 . LEU 88 88 51034 1 . ILE 89 89 51034 1 . ASN 90 90 51034 1 . GLY 91 91 51034 1 . TYR 92 92 51034 1 . ILE 93 93 51034 1 . GLN 94 94 51034 1 . LYS 95 95 51034 1 . ILE 96 96 51034 1 . LYS 97 97 51034 1 . SER 98 98 51034 1 . GLY 99 99 51034 1 . GLU 100 100 51034 1 . GLU 101 101 51034 1 . ASP 102 102 51034 1 . PHE 103 103 51034 1 . GLU 104 104 51034 1 . SER 105 105 51034 1 . LEU 106 106 51034 1 . ALA 107 107 51034 1 . SER 108 108 51034 1 . GLN 109 109 51034 1 . PHE 110 110 51034 1 . SER 111 111 51034 1 . ASP 112 112 51034 1 . CYS 113 113 51034 1 . SER 114 114 51034 1 . SER 115 115 51034 1 . ALA 116 116 51034 1 . LYS 117 117 51034 1 . ALA 118 118 51034 1 . ARG 119 119 51034 1 . GLY 120 120 51034 1 . ASP 121 121 51034 1 . LEU 122 122 51034 1 . GLY 123 123 51034 1 . ALA 124 124 51034 1 . PHE 125 125 51034 1 . SER 126 126 51034 1 . ARG 127 127 51034 1 . GLY 128 128 51034 1 . GLN 129 129 51034 1 . MET 130 130 51034 1 . GLN 131 131 51034 1 . LYS 132 132 51034 1 . PRO 133 133 51034 1 . PHE 134 134 51034 1 . GLU 135 135 51034 1 . ASP 136 136 51034 1 . ALA 137 137 51034 1 . SER 138 138 51034 1 . PHE 139 139 51034 1 . ALA 140 140 51034 1 . LEU 141 141 51034 1 . ARG 142 142 51034 1 . THR 143 143 51034 1 . GLY 144 144 51034 1 . GLU 145 145 51034 1 . MET 146 146 51034 1 . SER 147 147 51034 1 . GLY 148 148 51034 1 . PRO 149 149 51034 1 . VAL 150 150 51034 1 . PHE 151 151 51034 1 . THR 152 152 51034 1 . ASP 153 153 51034 1 . SER 154 154 51034 1 . GLY 155 155 51034 1 . ILE 156 156 51034 1 . HIS 157 157 51034 1 . ILE 158 158 51034 1 . ILE 159 159 51034 1 . LEU 160 160 51034 1 . ARG 161 161 51034 1 . THR 162 162 51034 1 . GLU 163 163 51034 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51034 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XEQPLXPVTDLX ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 12 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; N termini acetylated, C termini amidylated; peptide ligand with phosphothreonine; C51 H84 N12 O21 P. ; _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 . ACE . 51034 2 2 . GLU . 51034 2 3 . GLN . 51034 2 4 . PRO . 51034 2 5 . LEU . 51034 2 6 . TPO . 51034 2 7 . PRO . 51034 2 8 . VAL . 51034 2 9 . THR . 51034 2 10 . ASP . 51034 2 11 . LEU . 51034 2 12 . NH2 . 51034 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 . ACE 1 1 51034 2 . GLU 2 2 51034 2 . GLN 3 3 51034 2 . PRO 4 4 51034 2 . LEU 5 5 51034 2 . TPO 6 6 51034 2 . PRO 7 7 51034 2 . VAL 8 8 51034 2 . THR 9 9 51034 2 . ASP 10 10 51034 2 . LEU 11 11 51034 2 . NH2 12 12 51034 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51034 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51034 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51034 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . plasmid . . pet28a . . . 51034 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . plasmid . . . . . 'Fmoc solid-phase synthesis' 51034 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_TPO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TPO _Chem_comp.Entry_ID 51034 _Chem_comp.ID TPO _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOTHREONINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code TPO _Chem_comp.PDB_code TPO _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code T _Chem_comp.Three_letter_code TPO _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 12 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID THR _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms PHOSPHONOTHREONINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H10 N O6 P' _Chem_comp.Formula_weight 199.099 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1FMO _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 51034 TPO C[C@@H](O[P](O)(O)=O)[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 51034 TPO C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51034 TPO C[CH](O[P](O)(O)=O)[CH](N)C(O)=O SMILES CACTVS 3.341 51034 TPO InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 InChI InChI 1.03 51034 TPO O=P(O)(O)OC(C(N)C(=O)O)C SMILES ACDLabs 10.04 51034 TPO USRGIUJOYOXOQJ-GBXIJSLDSA-N InChIKey InChI 1.03 51034 TPO stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S,3R)-2-amino-3-phosphonooxy-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51034 TPO O-phosphono-L-threonine 'SYSTEMATIC NAME' ACDLabs 10.04 51034 TPO stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 N N . . . . 21.891 . 2.133 . -14.748 . 1.153 -1.040 2.377 1 . 51034 TPO CA CA CA CA . C . . S 0 . . . 1 N N . . . . 22.318 . 2.994 . -13.673 . 0.572 0.199 1.844 2 . 51034 TPO CB CB CB CB . C . . R 0 . . . 1 N N . . . . 21.313 . 4.075 . -13.361 . 1.111 0.449 0.434 3 . 51034 TPO CG2 CG2 CG2 CG2 . C . . N 0 . . . 1 N N . . . . 21.837 . 5.045 . -12.302 . 2.634 0.580 0.485 4 . 51034 TPO OG1 OG1 OG1 OG1 . O . . N 0 . . . 1 N N . . . . 20.898 . 4.716 . -14.523 . 0.755 -0.645 -0.412 5 . 51034 TPO P P P P . P . . N 0 . . . 1 N N . . . . 19.424 . 4.424 . -14.993 . -0.142 -0.039 -1.603 6 . 51034 TPO O1P O1P O1P O1P . O . . N 0 . . . 1 N N . . . . 19.358 . 5.014 . -16.321 . 0.644 0.968 -2.350 7 . 51034 TPO O2P O2P O2P O2P . O . . N 0 . . . 1 N N . . . . 19.243 . 2.986 . -14.834 . -0.580 -1.224 -2.601 8 . 51034 TPO O3P O3P O3P O3P . O . . N 0 . . . 1 N N . . . . 18.506 . 5.082 . -14.021 . -1.456 0.656 -0.985 9 . 51034 TPO C C C C . C . . N 0 . . . 1 N N . . . . 22.539 . 2.278 . -12.384 . -0.927 0.070 1.794 10 . 51034 TPO O O O O . O . . N 0 . . . 1 N N . . . . 21.778 . 1.390 . -12.005 . -1.435 -1.012 1.626 11 . 51034 TPO OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 23.582 . 2.721 . -11.720 . -1.700 1.159 1.935 12 . 51034 TPO H H H H . H . . N 0 . . . 1 N N . . . . 22.570 . 1.402 . -14.958 . 2.154 -0.949 2.296 13 . 51034 TPO H2 H2 H2 2HN . H . . N 0 . . . 1 N Y . . . . 21.663 . 2.673 . -15.582 . 0.877 -1.782 1.751 14 . 51034 TPO HA HA HA HA . H . . N 0 . . . 1 N N . . . . 23.275 . 3.418 . -14.056 . 0.844 1.034 2.490 15 . 51034 TPO HB HB HB HB . H . . N 0 . . . 1 N N . . . . 20.410 . 3.593 . -12.916 . 0.680 1.369 0.039 16 . 51034 TPO HG21 HG21 HG21 1HG2 . H . . N 0 . . . 0 N N . . . . 21.094 . 5.844 . -12.071 . 3.065 -0.339 0.881 17 . 51034 TPO HG22 HG22 HG22 2HG2 . H . . N 0 . . . 0 N N . . . . 22.154 . 4.506 . -11.378 . 3.018 0.758 -0.518 18 . 51034 TPO HG23 HG23 HG23 3HG2 . H . . N 0 . . . 0 N N . . . . 22.821 . 5.477 . -12.598 . 2.906 1.415 1.131 19 . 51034 TPO HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 N N . . . . 18.353 . 2.809 . -15.117 . -1.114 -0.819 -3.298 20 . 51034 TPO HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 N N . . . . 17.616 . 4.905 . -14.304 . -1.938 -0.033 -0.509 21 . 51034 TPO HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 23.722 . 2.264 . -10.898 . -2.662 1.076 1.902 22 . 51034 TPO stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA N N 1 . 51034 TPO 2 . SING N H N N 2 . 51034 TPO 3 . SING N H2 N N 3 . 51034 TPO 4 . SING CA CB N N 4 . 51034 TPO 5 . SING CA C N N 5 . 51034 TPO 6 . SING CA HA N N 6 . 51034 TPO 7 . SING CB CG2 N N 7 . 51034 TPO 8 . SING CB OG1 N N 8 . 51034 TPO 9 . SING CB HB N N 9 . 51034 TPO 10 . SING CG2 HG21 N N 10 . 51034 TPO 11 . SING CG2 HG22 N N 11 . 51034 TPO 12 . SING CG2 HG23 N N 12 . 51034 TPO 13 . SING OG1 P N N 13 . 51034 TPO 14 . DOUB P O1P N N 14 . 51034 TPO 15 . SING P O2P N N 15 . 51034 TPO 16 . SING P O3P N N 16 . 51034 TPO 17 . SING O2P HOP2 N N 17 . 51034 TPO 18 . SING O3P HOP3 N N 18 . 51034 TPO 19 . DOUB C O N N 19 . 51034 TPO 20 . SING C OXT N N 20 . 51034 TPO 21 . SING OXT HXT N N 21 . 51034 TPO stop_ save_ save_chem_comp_ACE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ACE _Chem_comp.Entry_ID 51034 _Chem_comp.ID ACE _Chem_comp.Provenance PDB _Chem_comp.Name 'ACETYL GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ACE _Chem_comp.PDB_code ACE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces ACU _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ACE _Chem_comp.Number_atoms_all 7 _Chem_comp.Number_atoms_nh 3 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C2H4O/c1-2-3/h2H,1H3 _Chem_comp.Mon_nstd_flag no _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C2 H4 O' _Chem_comp.Formula_weight 44.053 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC=O SMILES CACTVS 3.341 51034 ACE CC=O SMILES 'OpenEye OEToolkits' 1.5.0 51034 ACE CC=O SMILES_CANONICAL CACTVS 3.341 51034 ACE CC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51034 ACE IKHGUXGNUITLKF-UHFFFAOYSA-N InChIKey InChI 1.03 51034 ACE InChI=1S/C2H4O/c1-2-3/h2H,1H3 InChI InChI 1.03 51034 ACE O=CC SMILES ACDLabs 10.04 51034 ACE 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 acetaldehyde 'SYSTEMATIC NAME' ACDLabs 10.04 51034 ACE ethanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51034 ACE 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 C C C C . C . . N 0 . . . 1 N N . . . . 0.772 . -10.072 . 6.578 . -0.133 0.453 0.000 1 . 51034 ACE O O O O . O . . N 0 . . . 1 N N . . . . 1.973 . -10.223 . 6.862 . -1.113 -0.252 0.000 2 . 51034 ACE CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 N N . . . . -0.322 . -10.677 . 7.405 . 1.241 -0.167 0.000 3 . 51034 ACE H H H H . H . . N 0 . . . 1 N N . . . . 0.685 . -9.453 . 5.669 . -0.240 1.528 0.000 4 . 51034 ACE H1 H1 H1 1H . H . . N 0 . . . 1 N N . . . . -1.191 . -10.444 . 7.018 . 1.360 -0.785 0.890 5 . 51034 ACE H2 H2 H2 2H . H . . N 0 . . . 1 N N . . . . -0.269 . -10.331 . 8.320 . 1.360 -0.785 -0.890 6 . 51034 ACE H3 H3 H3 3H . H . . N 0 . . . 1 N N . . . . -0.221 . -11.652 . 7.418 . 1.995 0.620 0.000 7 . 51034 ACE stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C O N N 1 . 51034 ACE 2 . SING C CH3 N N 2 . 51034 ACE 3 . SING C H N N 3 . 51034 ACE 4 . SING CH3 H1 N N 4 . 51034 ACE 5 . SING CH3 H2 N N 5 . 51034 ACE 6 . SING CH3 H3 N N 6 . 51034 ACE stop_ save_ save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID 51034 _Chem_comp.ID NH2 _Chem_comp.Provenance PDB _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NH2 _Chem_comp.PDB_code NH2 _Chem_comp.Ambiguous_flag yes _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NH2 _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1/H3N/h1H3 _Chem_comp.Mon_nstd_flag no _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.023 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details 'OpenEye OEToolkits' _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2FLY _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/H3N/h1H3 InChI InChI 1.02b 51034 NH2 N SMILES ACDLabs 10.04 51034 NH2 QGZKDVFQNNGYKY-UHFFFAOYAF InChIKey InChI 1.02b 51034 NH2 [NH2] SMILES CACTVS 3.341 51034 NH2 [NH2] SMILES 'OpenEye OEToolkits' 1.5.0 51034 NH2 [NH2] SMILES_CANONICAL CACTVS 3.341 51034 NH2 [NH2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51034 NH2 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 ammonia 'SYSTEMATIC NAME' ACDLabs 10.04 51034 NH2 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N . N . . N 0 . . . 1 N N . . . . 10.091 . 8.978 . -7.810 . 0.000 0.000 0.000 1 . 51034 NH2 HN1 HN1 HN1 1HN . H . . N 0 . . . 1 N N . . . . 9.517 . 8.769 . -7.044 . -0.385 -0.545 -0.771 2 . 51034 NH2 HN2 HN2 HN2 2HN . H . . N 0 . . . 1 N N . . . . 10.323 . 9.890 . -8.082 . 1.020 0.000 0.000 3 . 51034 NH2 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N HN1 N N 1 . 51034 NH2 2 . SING N HN2 N N 2 . 51034 NH2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51034 _Sample.ID 1 _Sample.Name 'WT Pin1 with 5x pCDC25c' _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM NaP, 50mM NaCl, 5mM DTT, 0.03% sodium azide, pH 6.5' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Pin1 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 750 . . uM . . . . 51034 1 2 pCDC25c 'natural abundance' . . 2 $entity_2 . . 4 . . mM . . . . 51034 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51034 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51034 1 5 dithiothreitol 'natural abundance' . . . . . . 5 . . mM . . . . 51034 1 6 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 51034 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 51034 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR buffer' _Sample_condition_list.Details '20mM sodium phosphate, 50mM sodium chloride, 5mM dithiothreitol, 0.03% sodium azide at pH 6.5' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 51034 1 pH 6.5 . pH 51034 1 pressure 1 . atm 51034 1 temperature 298 . K 51034 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51034 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51034 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51034 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '900 MHz' _NMR_spectrometer.Details 'Equipped with cryo-probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51034 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51034 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51034 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51034 1 4 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51034 1 5 '3D 13C-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51034 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51034 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'WT Pin1 with pCDC25c' _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 na nitrogen . . . . ppm 0 na direct 1 . . . . . 51034 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 51034 1 N 15 na 'methyl carbons' . . . . ppm 0 na direct 1 . . . . . 51034 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51034 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'WT Pin1 with 5x pCDC25c ligand' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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 2 '2D 1H-13C HSQC aliphatic' . . . 51034 1 3 '2D 1H-13C HSQC aromatic' . . . 51034 1 4 '3D 15N-separated NOESY' . . . 51034 1 5 '3D 13C-separated NOESY' . . . 51034 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51034 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 MET HA H 1 4.411 0.009 . 1 . . . . . 1 MET HA . 51034 1 2 . 1 . 1 1 1 MET HB2 H 1 2.036 0.006 . 2 . . . . . 1 MET HB2 . 51034 1 3 . 1 . 1 1 1 MET HB3 H 1 1.937 0.011 . 2 . . . . . 1 MET HB3 . 51034 1 4 . 1 . 1 1 1 MET HG2 H 1 2.430 0.007 . 2 . . . . . 1 MET HG2 . 51034 1 5 . 1 . 1 1 1 MET HG3 H 1 2.487 0.006 . 2 . . . . . 1 MET HG3 . 51034 1 6 . 1 . 1 1 1 MET HE1 H 1 2.064 0.009 . 1 . . . . . 1 MET HE# . 51034 1 7 . 1 . 1 1 1 MET HE2 H 1 2.064 0.009 . 1 . . . . . 1 MET HE# . 51034 1 8 . 1 . 1 1 1 MET HE3 H 1 2.064 0.009 . 1 . . . . . 1 MET HE# . 51034 1 9 . 1 . 1 1 1 MET CA C 13 55.554 0.009 . 1 . . . . . 1 MET CA . 51034 1 10 . 1 . 1 1 1 MET CB C 13 32.906 0.007 . 1 . . . . . 1 MET CB . 51034 1 11 . 1 . 1 1 1 MET CG C 13 32.064 0.012 . 1 . . . . . 1 MET CG . 51034 1 12 . 1 . 1 1 1 MET CE C 13 16.915 0.000 . 1 . . . . . 1 MET CE . 51034 1 13 . 1 . 1 2 2 ALA H H 1 8.382 0.003 . 1 . . . . . 2 ALA HN . 51034 1 14 . 1 . 1 2 2 ALA HA H 1 4.285 0.004 . 1 . . . . . 2 ALA HA . 51034 1 15 . 1 . 1 2 2 ALA HB1 H 1 1.376 0.002 . 1 . . . . . 2 ALA HB# . 51034 1 16 . 1 . 1 2 2 ALA HB2 H 1 1.376 0.002 . 1 . . . . . 2 ALA HB# . 51034 1 17 . 1 . 1 2 2 ALA HB3 H 1 1.376 0.002 . 1 . . . . . 2 ALA HB# . 51034 1 18 . 1 . 1 2 2 ALA CA C 13 52.638 0.075 . 1 . . . . . 2 ALA CA . 51034 1 19 . 1 . 1 2 2 ALA CB C 13 19.140 0.042 . 1 . . . . . 2 ALA CB . 51034 1 20 . 1 . 1 2 2 ALA N N 15 124.920 0.022 . 1 . . . . . 2 ALA N . 51034 1 21 . 1 . 1 3 3 ASP H H 1 8.266 0.008 . 1 . . . . . 3 ASP HN . 51034 1 22 . 1 . 1 3 3 ASP HA H 1 4.538 0.004 . 1 . . . . . 3 ASP HA . 51034 1 23 . 1 . 1 3 3 ASP HB2 H 1 2.615 0.007 . 2 . . . . . 3 ASP HB2 . 51034 1 24 . 1 . 1 3 3 ASP HB3 H 1 2.692 0.007 . 2 . . . . . 3 ASP HB3 . 51034 1 25 . 1 . 1 3 3 ASP CA C 13 54.531 0.010 . 1 . . . . . 3 ASP CA . 51034 1 26 . 1 . 1 3 3 ASP CB C 13 41.098 0.059 . 1 . . . . . 3 ASP CB . 51034 1 27 . 1 . 1 3 3 ASP N N 15 119.571 0.013 . 1 . . . . . 3 ASP N . 51034 1 28 . 1 . 1 4 4 GLU H H 1 8.306 0.008 . 1 . . . . . 4 GLU HN . 51034 1 29 . 1 . 1 4 4 GLU HA H 1 4.243 0.006 . 1 . . . . . 4 GLU HA . 51034 1 30 . 1 . 1 4 4 GLU HB2 H 1 2.055 0.004 . 2 . . . . . 4 GLU HB2 . 51034 1 31 . 1 . 1 4 4 GLU HB3 H 1 1.944 0.005 . 2 . . . . . 4 GLU HB3 . 51034 1 32 . 1 . 1 4 4 GLU CA C 13 56.713 0.065 . 1 . . . . . 4 GLU CA . 51034 1 33 . 1 . 1 4 4 GLU CB C 13 30.446 0.036 . 1 . . . . . 4 GLU CB . 51034 1 34 . 1 . 1 4 4 GLU CG C 13 36.419 0.000 . 1 . . . . . 4 GLU CG . 51034 1 35 . 1 . 1 4 4 GLU N N 15 120.847 0.016 . 1 . . . . . 4 GLU N . 51034 1 36 . 1 . 1 5 5 GLU H H 1 8.326 0.004 . 1 . . . . . 5 GLU HN . 51034 1 37 . 1 . 1 5 5 GLU HA H 1 4.236 0.006 . 1 . . . . . 5 GLU HA . 51034 1 38 . 1 . 1 5 5 GLU HB2 H 1 2.016 0.006 . 2 . . . . . 5 GLU HB2 . 51034 1 39 . 1 . 1 5 5 GLU HB3 H 1 1.942 0.007 . 2 . . . . . 5 GLU HB3 . 51034 1 40 . 1 . 1 5 5 GLU CA C 13 56.540 0.103 . 1 . . . . . 5 GLU CA . 51034 1 41 . 1 . 1 5 5 GLU CB C 13 30.419 0.084 . 1 . . . . . 5 GLU CB . 51034 1 42 . 1 . 1 5 5 GLU CG C 13 36.452 0.000 . 1 . . . . . 5 GLU CG . 51034 1 43 . 1 . 1 5 5 GLU N N 15 121.944 0.012 . 1 . . . . . 5 GLU N . 51034 1 44 . 1 . 1 6 6 LYS H H 1 8.271 0.007 . 1 . . . . . 6 LYS HN . 51034 1 45 . 1 . 1 6 6 LYS HA H 1 4.270 0.011 . 1 . . . . . 6 LYS HA . 51034 1 46 . 1 . 1 6 6 LYS HB2 H 1 1.807 0.008 . 2 . . . . . 6 LYS HB2 . 51034 1 47 . 1 . 1 6 6 LYS HB3 H 1 1.744 0.006 . 2 . . . . . 6 LYS HB3 . 51034 1 48 . 1 . 1 6 6 LYS HG2 H 1 1.448 0.016 . 2 . . . . . 6 LYS HG2 . 51034 1 49 . 1 . 1 6 6 LYS HG3 H 1 1.451 0.006 . 2 . . . . . 6 LYS HG3 . 51034 1 50 . 1 . 1 6 6 LYS HD2 H 1 1.688 0.012 . 2 . . . . . 6 LYS HD2 . 51034 1 51 . 1 . 1 6 6 LYS HD3 H 1 1.692 0.005 . 2 . . . . . 6 LYS HD3 . 51034 1 52 . 1 . 1 6 6 LYS HE2 H 1 3.007 0.017 . 1 . . . . . 6 LYS HE2 . 51034 1 53 . 1 . 1 6 6 LYS HE3 H 1 3.012 0.006 . 1 . . . . . 6 LYS HE3 . 51034 1 54 . 1 . 1 6 6 LYS CA C 13 56.192 0.060 . 1 . . . . . 6 LYS CA . 51034 1 55 . 1 . 1 6 6 LYS CB C 13 32.570 0.047 . 1 . . . . . 6 LYS CB . 51034 1 56 . 1 . 1 6 6 LYS CG C 13 24.630 0.046 . 1 . . . . . 6 LYS CG . 51034 1 57 . 1 . 1 6 6 LYS CD C 13 29.025 0.057 . 1 . . . . . 6 LYS CD . 51034 1 58 . 1 . 1 6 6 LYS CE C 13 42.311 0.033 . 1 . . . . . 6 LYS CE . 51034 1 59 . 1 . 1 6 6 LYS N N 15 123.516 0.011 . 1 . . . . . 6 LYS N . 51034 1 60 . 1 . 1 7 7 LEU H H 1 8.539 0.003 . 1 . . . . . 7 LEU HN . 51034 1 61 . 1 . 1 7 7 LEU HA H 1 4.590 0.003 . 1 . . . . . 7 LEU HA . 51034 1 62 . 1 . 1 7 7 LEU HB2 H 1 1.804 0.009 . 2 . . . . . 7 LEU HB2 . 51034 1 63 . 1 . 1 7 7 LEU HB3 H 1 1.394 0.005 . 2 . . . . . 7 LEU HB3 . 51034 1 64 . 1 . 1 7 7 LEU HG H 1 1.843 0.002 . 1 . . . . . 7 LEU HG . 51034 1 65 . 1 . 1 7 7 LEU HD11 H 1 1.065 0.007 . 1 . . . . . 7 LEU QD1 . 51034 1 66 . 1 . 1 7 7 LEU HD12 H 1 1.065 0.007 . 1 . . . . . 7 LEU QD1 . 51034 1 67 . 1 . 1 7 7 LEU HD13 H 1 1.065 0.007 . 1 . . . . . 7 LEU QD1 . 51034 1 68 . 1 . 1 7 7 LEU HD21 H 1 0.773 0.003 . 1 . . . . . 7 LEU QD2 . 51034 1 69 . 1 . 1 7 7 LEU HD22 H 1 0.773 0.003 . 1 . . . . . 7 LEU QD2 . 51034 1 70 . 1 . 1 7 7 LEU HD23 H 1 0.773 0.003 . 1 . . . . . 7 LEU QD2 . 51034 1 71 . 1 . 1 7 7 LEU CA C 13 52.590 0.040 . 1 . . . . . 7 LEU CA . 51034 1 72 . 1 . 1 7 7 LEU CB C 13 42.054 0.038 . 1 . . . . . 7 LEU CB . 51034 1 73 . 1 . 1 7 7 LEU CG C 13 27.079 0.043 . 1 . . . . . 7 LEU CG . 51034 1 74 . 1 . 1 7 7 LEU CD1 C 13 26.340 0.060 . 1 . . . . . 7 LEU CD1 . 51034 1 75 . 1 . 1 7 7 LEU CD2 C 13 23.717 0.100 . 1 . . . . . 7 LEU CD2 . 51034 1 76 . 1 . 1 7 7 LEU N N 15 124.956 0.020 . 1 . . . . . 7 LEU N . 51034 1 77 . 1 . 1 8 8 PRO HA H 1 4.830 0.000 . 1 . . . . . 8 PRO HA . 51034 1 78 . 1 . 1 8 8 PRO HB2 H 1 2.011 0.006 . 1 . . . . . 8 PRO HB2 . 51034 1 79 . 1 . 1 8 8 PRO HB3 H 1 2.578 0.005 . 1 . . . . . 8 PRO HB3 . 51034 1 80 . 1 . 1 8 8 PRO HG2 H 1 1.638 0.006 . 1 . . . . . 8 PRO HG2 . 51034 1 81 . 1 . 1 8 8 PRO HG3 H 1 1.772 0.007 . 1 . . . . . 8 PRO HG3 . 51034 1 82 . 1 . 1 8 8 PRO HD2 H 1 3.669 0.008 . 2 . . . . . 8 PRO HD2 . 51034 1 83 . 1 . 1 8 8 PRO HD3 H 1 3.004 0.005 . 2 . . . . . 8 PRO HD3 . 51034 1 84 . 1 . 1 8 8 PRO CA C 13 61.291 0.000 . 1 . . . . . 8 PRO CA . 51034 1 85 . 1 . 1 8 8 PRO CB C 13 29.546 0.065 . 1 . . . . . 8 PRO CB . 51034 1 86 . 1 . 1 8 8 PRO CG C 13 27.373 0.044 . 1 . . . . . 8 PRO CG . 51034 1 87 . 1 . 1 8 8 PRO CD C 13 50.286 0.053 . 1 . . . . . 8 PRO CD . 51034 1 88 . 1 . 1 9 9 PRO HA H 1 4.351 0.013 . 1 . . . . . 9 PRO HA . 51034 1 89 . 1 . 1 9 9 PRO HB2 H 1 2.336 0.002 . 2 . . . . . 9 PRO HB2 . 51034 1 90 . 1 . 1 9 9 PRO HB3 H 1 1.875 0.009 . 2 . . . . . 9 PRO HB3 . 51034 1 91 . 1 . 1 9 9 PRO HG2 H 1 2.049 0.015 . 2 . . . . . 9 PRO HG2 . 51034 1 92 . 1 . 1 9 9 PRO HG3 H 1 2.150 0.002 . 2 . . . . . 9 PRO HG3 . 51034 1 93 . 1 . 1 9 9 PRO HD2 H 1 3.845 0.008 . 1 . . . . . 9 PRO HD2 . 51034 1 94 . 1 . 1 9 9 PRO HD3 H 1 3.636 0.001 . 1 . . . . . 9 PRO HD3 . 51034 1 95 . 1 . 1 9 9 PRO CA C 13 64.301 0.064 . 1 . . . . . 9 PRO CA . 51034 1 96 . 1 . 1 9 9 PRO CB C 13 32.059 0.071 . 1 . . . . . 9 PRO CB . 51034 1 97 . 1 . 1 9 9 PRO CG C 13 27.747 0.052 . 1 . . . . . 9 PRO CG . 51034 1 98 . 1 . 1 9 9 PRO CD C 13 50.936 0.029 . 1 . . . . . 9 PRO CD . 51034 1 99 . 1 . 1 10 10 GLY H H 1 8.726 0.007 . 1 . . . . . 10 GLY HN . 51034 1 100 . 1 . 1 10 10 GLY HA2 H 1 3.184 0.009 . 1 . . . . . 10 GLY HA1 . 51034 1 101 . 1 . 1 10 10 GLY HA3 H 1 4.018 0.007 . 1 . . . . . 10 GLY HA2 . 51034 1 102 . 1 . 1 10 10 GLY CA C 13 45.016 0.071 . 1 . . . . . 10 GLY CA . 51034 1 103 . 1 . 1 10 10 GLY N N 15 111.783 0.021 . 1 . . . . . 10 GLY N . 51034 1 104 . 1 . 1 11 11 TRP H H 1 7.416 0.006 . 1 . . . . . 11 TRP HN . 51034 1 105 . 1 . 1 11 11 TRP HA H 1 5.191 0.010 . 1 . . . . . 11 TRP HA . 51034 1 106 . 1 . 1 11 11 TRP HB2 H 1 3.253 0.006 . 1 . . . . . 11 TRP HB2 . 51034 1 107 . 1 . 1 11 11 TRP HB3 H 1 2.962 0.006 . 1 . . . . . 11 TRP HB3 . 51034 1 108 . 1 . 1 11 11 TRP HD1 H 1 6.950 0.007 . 1 . . . . . 11 TRP HD1 . 51034 1 109 . 1 . 1 11 11 TRP HE1 H 1 10.471 0.007 . 1 . . . . . 11 TRP HE1 . 51034 1 110 . 1 . 1 11 11 TRP HE3 H 1 7.365 0.000 . 1 . . . . . 11 TRP HE3 . 51034 1 111 . 1 . 1 11 11 TRP HZ2 H 1 7.460 0.012 . 1 . . . . . 11 TRP HZ2 . 51034 1 112 . 1 . 1 11 11 TRP HZ3 H 1 6.892 0.011 . 1 . . . . . 11 TRP HZ3 . 51034 1 113 . 1 . 1 11 11 TRP HH2 H 1 6.988 0.011 . 1 . . . . . 11 TRP HH2 . 51034 1 114 . 1 . 1 11 11 TRP CA C 13 57.260 0.027 . 1 . . . . . 11 TRP CA . 51034 1 115 . 1 . 1 11 11 TRP CB C 13 32.226 0.056 . 1 . . . . . 11 TRP CB . 51034 1 116 . 1 . 1 11 11 TRP CD1 C 13 127.791 0.000 . 1 . . . . . 11 TRP CD1 . 51034 1 117 . 1 . 1 11 11 TRP CE3 C 13 120.264 0.000 . 1 . . . . . 11 TRP CE3 . 51034 1 118 . 1 . 1 11 11 TRP CZ2 C 13 115.135 0.000 . 1 . . . . . 11 TRP CZ2 . 51034 1 119 . 1 . 1 11 11 TRP CZ3 C 13 122.713 0.000 . 1 . . . . . 11 TRP CZ3 . 51034 1 120 . 1 . 1 11 11 TRP CH2 C 13 125.194 0.000 . 1 . . . . . 11 TRP CH2 . 51034 1 121 . 1 . 1 11 11 TRP N N 15 117.794 0.013 . 1 . . . . . 11 TRP N . 51034 1 122 . 1 . 1 11 11 TRP NE1 N 15 129.338 0.041 . 1 . . . . . 11 TRP NE1 . 51034 1 123 . 1 . 1 12 12 GLU H H 1 9.731 0.006 . 1 . . . . . 12 GLU HN . 51034 1 124 . 1 . 1 12 12 GLU HA H 1 4.838 0.001 . 1 . . . . . 12 GLU HA . 51034 1 125 . 1 . 1 12 12 GLU HB2 H 1 2.174 0.005 . 1 . . . . . 12 GLU HB2 . 51034 1 126 . 1 . 1 12 12 GLU HB3 H 1 2.238 0.009 . 1 . . . . . 12 GLU HB3 . 51034 1 127 . 1 . 1 12 12 GLU HG2 H 1 2.540 0.004 . 1 . . . . . 12 GLU HG2 . 51034 1 128 . 1 . 1 12 12 GLU HG3 H 1 2.281 0.006 . 1 . . . . . 12 GLU HG3 . 51034 1 129 . 1 . 1 12 12 GLU CA C 13 54.712 0.000 . 1 . . . . . 12 GLU CA . 51034 1 130 . 1 . 1 12 12 GLU CB C 13 34.525 0.029 . 1 . . . . . 12 GLU CB . 51034 1 131 . 1 . 1 12 12 GLU CG C 13 36.261 0.049 . 1 . . . . . 12 GLU CG . 51034 1 132 . 1 . 1 12 12 GLU N N 15 120.515 0.017 . 1 . . . . . 12 GLU N . 51034 1 133 . 1 . 1 13 13 LYS H H 1 8.847 0.008 . 1 . . . . . 13 LYS HN . 51034 1 134 . 1 . 1 13 13 LYS HA H 1 4.499 0.005 . 1 . . . . . 13 LYS HA . 51034 1 135 . 1 . 1 13 13 LYS HB2 H 1 1.618 0.006 . 2 . . . . . 13 LYS HB2 . 51034 1 136 . 1 . 1 13 13 LYS HB3 H 1 1.701 0.006 . 2 . . . . . 13 LYS HB3 . 51034 1 137 . 1 . 1 13 13 LYS HG2 H 1 1.072 0.011 . 2 . . . . . 13 LYS HG2 . 51034 1 138 . 1 . 1 13 13 LYS HG3 H 1 1.185 0.006 . 2 . . . . . 13 LYS HG3 . 51034 1 139 . 1 . 1 13 13 LYS HD2 H 1 1.705 0.005 . 2 . . . . . 13 LYS QD . 51034 1 140 . 1 . 1 13 13 LYS HD3 H 1 1.705 0.005 . 2 . . . . . 13 LYS QD . 51034 1 141 . 1 . 1 13 13 LYS HE2 H 1 2.955 0.005 . 2 . . . . . 13 LYS QE . 51034 1 142 . 1 . 1 13 13 LYS HE3 H 1 2.955 0.005 . 2 . . . . . 13 LYS QE . 51034 1 143 . 1 . 1 13 13 LYS CA C 13 55.912 0.059 . 1 . . . . . 13 LYS CA . 51034 1 144 . 1 . 1 13 13 LYS CB C 13 33.933 0.044 . 1 . . . . . 13 LYS CB . 51034 1 145 . 1 . 1 13 13 LYS CG C 13 25.206 0.041 . 1 . . . . . 13 LYS CG . 51034 1 146 . 1 . 1 13 13 LYS CD C 13 29.765 0.079 . 1 . . . . . 13 LYS CD . 51034 1 147 . 1 . 1 13 13 LYS CE C 13 41.987 0.065 . 1 . . . . . 13 LYS CE . 51034 1 148 . 1 . 1 13 13 LYS N N 15 124.405 0.035 . 1 . . . . . 13 LYS N . 51034 1 149 . 1 . 1 14 14 ARG H H 1 8.726 0.004 . 1 . . . . . 14 ARG HN . 51034 1 150 . 1 . 1 14 14 ARG HA H 1 4.342 0.005 . 1 . . . . . 14 ARG HA . 51034 1 151 . 1 . 1 14 14 ARG HB2 H 1 0.046 0.003 . 1 . . . . . 14 ARG HB2 . 51034 1 152 . 1 . 1 14 14 ARG HB3 H 1 1.185 0.005 . 1 . . . . . 14 ARG HB3 . 51034 1 153 . 1 . 1 14 14 ARG HG2 H 1 1.295 0.006 . 2 . . . . . 14 ARG HG2 . 51034 1 154 . 1 . 1 14 14 ARG HG3 H 1 1.129 0.007 . 2 . . . . . 14 ARG HG3 . 51034 1 155 . 1 . 1 14 14 ARG HD2 H 1 2.903 0.005 . 2 . . . . . 14 ARG QD . 51034 1 156 . 1 . 1 14 14 ARG HD3 H 1 2.903 0.005 . 2 . . . . . 14 ARG QD . 51034 1 157 . 1 . 1 14 14 ARG CA C 13 53.707 0.047 . 1 . . . . . 14 ARG CA . 51034 1 158 . 1 . 1 14 14 ARG CB C 13 33.721 0.043 . 1 . . . . . 14 ARG CB . 51034 1 159 . 1 . 1 14 14 ARG CG C 13 27.800 0.051 . 1 . . . . . 14 ARG CG . 51034 1 160 . 1 . 1 14 14 ARG CD C 13 42.823 0.016 . 1 . . . . . 14 ARG CD . 51034 1 161 . 1 . 1 14 14 ARG N N 15 126.047 0.026 . 1 . . . . . 14 ARG N . 51034 1 162 . 1 . 1 15 15 MET H H 1 8.113 0.006 . 1 . . . . . 15 MET HN . 51034 1 163 . 1 . 1 15 15 MET HA H 1 4.896 0.005 . 1 . . . . . 15 MET HA . 51034 1 164 . 1 . 1 15 15 MET HB2 H 1 1.782 0.005 . 2 . . . . . 15 MET QB . 51034 1 165 . 1 . 1 15 15 MET HB3 H 1 1.782 0.005 . 2 . . . . . 15 MET QB . 51034 1 166 . 1 . 1 15 15 MET HG2 H 1 2.431 0.005 . 2 . . . . . 15 MET HG2 . 51034 1 167 . 1 . 1 15 15 MET HG3 H 1 2.295 0.004 . 2 . . . . . 15 MET HG3 . 51034 1 168 . 1 . 1 15 15 MET HE1 H 1 1.999 0.006 . 1 . . . . . 15 MET HE# . 51034 1 169 . 1 . 1 15 15 MET HE2 H 1 1.999 0.006 . 1 . . . . . 15 MET HE# . 51034 1 170 . 1 . 1 15 15 MET HE3 H 1 1.999 0.006 . 1 . . . . . 15 MET HE# . 51034 1 171 . 1 . 1 15 15 MET CA C 13 53.779 0.064 . 1 . . . . . 15 MET CA . 51034 1 172 . 1 . 1 15 15 MET CB C 13 34.515 0.075 . 1 . . . . . 15 MET CB . 51034 1 173 . 1 . 1 15 15 MET CG C 13 31.717 0.048 . 1 . . . . . 15 MET CG . 51034 1 174 . 1 . 1 15 15 MET CE C 13 16.611 0.034 . 1 . . . . . 15 MET CE . 51034 1 175 . 1 . 1 15 15 MET N N 15 116.859 0.019 . 1 . . . . . 15 MET N . 51034 1 176 . 1 . 1 16 16 SER H H 1 9.187 0.006 . 1 . . . . . 16 SER HN . 51034 1 177 . 1 . 1 16 16 SER HA H 1 4.934 0.040 . 1 . . . . . 16 SER HA . 51034 1 178 . 1 . 1 16 16 SER HB2 H 1 4.359 0.005 . 2 . . . . . 16 SER HB2 . 51034 1 179 . 1 . 1 16 16 SER HB3 H 1 4.297 0.006 . 2 . . . . . 16 SER HB3 . 51034 1 180 . 1 . 1 16 16 SER CB C 13 63.583 0.040 . 1 . . . . . 16 SER CB . 51034 1 181 . 1 . 1 16 16 SER N N 15 120.623 0.031 . 1 . . . . . 16 SER N . 51034 1 182 . 1 . 1 17 17 ARG HA H 1 4.307 0.009 . 1 . . . . . 17 ARG HA . 51034 1 183 . 1 . 1 17 17 ARG HB2 H 1 1.916 0.016 . 2 . . . . . 17 ARG HB2 . 51034 1 184 . 1 . 1 17 17 ARG HB3 H 1 1.835 0.003 . 2 . . . . . 17 ARG HB3 . 51034 1 185 . 1 . 1 17 17 ARG HG2 H 1 1.722 0.003 . 1 . . . . . 17 ARG HG2 . 51034 1 186 . 1 . 1 17 17 ARG HG3 H 1 1.716 0.013 . 1 . . . . . 17 ARG HG3 . 51034 1 187 . 1 . 1 17 17 ARG HD2 H 1 3.215 0.010 . 2 . . . . . 17 ARG QD . 51034 1 188 . 1 . 1 17 17 ARG HD3 H 1 3.215 0.010 . 2 . . . . . 17 ARG QD . 51034 1 189 . 1 . 1 17 17 ARG CA C 13 58.475 0.040 . 1 . . . . . 17 ARG CA . 51034 1 190 . 1 . 1 17 17 ARG CB C 13 29.874 0.051 . 1 . . . . . 17 ARG CB . 51034 1 191 . 1 . 1 17 17 ARG CG C 13 27.450 0.103 . 1 . . . . . 17 ARG CG . 51034 1 192 . 1 . 1 17 17 ARG CD C 13 43.157 0.048 . 1 . . . . . 17 ARG CD . 51034 1 193 . 1 . 1 18 18 SER H H 1 8.725 0.005 . 1 . . . . . 18 SER HN . 51034 1 194 . 1 . 1 18 18 SER HA H 1 4.384 0.007 . 1 . . . . . 18 SER HA . 51034 1 195 . 1 . 1 18 18 SER HB2 H 1 3.886 0.013 . 2 . . . . . 18 SER HB2 . 51034 1 196 . 1 . 1 18 18 SER HB3 H 1 3.917 0.011 . 2 . . . . . 18 SER HB3 . 51034 1 197 . 1 . 1 18 18 SER CA C 13 59.965 0.131 . 1 . . . . . 18 SER CA . 51034 1 198 . 1 . 1 18 18 SER CB C 13 63.430 0.053 . 1 . . . . . 18 SER CB . 51034 1 199 . 1 . 1 18 18 SER N N 15 112.992 0.075 . 1 . . . . . 18 SER N . 51034 1 200 . 1 . 1 19 19 SER HA H 1 4.648 0.020 . 1 . . . . . 19 SER HA . 51034 1 201 . 1 . 1 19 19 SER HB2 H 1 3.957 0.000 . 2 . . . . . 19 SER HB2 . 51034 1 202 . 1 . 1 19 19 SER HB3 H 1 3.837 0.000 . 2 . . . . . 19 SER HB3 . 51034 1 203 . 1 . 1 19 19 SER CA C 13 58.350 0.000 . 1 . . . . . 19 SER CA . 51034 1 204 . 1 . 1 19 19 SER CB C 13 65.704 0.000 . 1 . . . . . 19 SER CB . 51034 1 205 . 1 . 1 20 20 GLY H H 1 7.949 0.005 . 1 . . . . . 20 GLY HN . 51034 1 206 . 1 . 1 20 20 GLY HA2 H 1 4.152 0.003 . 2 . . . . . 20 GLY HA1 . 51034 1 207 . 1 . 1 20 20 GLY HA3 H 1 3.921 0.009 . 2 . . . . . 20 GLY HA2 . 51034 1 208 . 1 . 1 20 20 GLY CA C 13 46.323 0.067 . 1 . . . . . 20 GLY CA . 51034 1 209 . 1 . 1 20 20 GLY N N 15 112.370 0.095 . 1 . . . . . 20 GLY N . 51034 1 210 . 1 . 1 21 21 ARG H H 1 7.576 0.006 . 1 . . . . . 21 ARG HN . 51034 1 211 . 1 . 1 21 21 ARG HA H 1 4.415 0.008 . 1 . . . . . 21 ARG HA . 51034 1 212 . 1 . 1 21 21 ARG HB2 H 1 1.732 0.006 . 2 . . . . . 21 ARG HB2 . 51034 1 213 . 1 . 1 21 21 ARG HB3 H 1 1.996 0.004 . 2 . . . . . 21 ARG HB3 . 51034 1 214 . 1 . 1 21 21 ARG HG2 H 1 1.749 0.005 . 2 . . . . . 21 ARG HG2 . 51034 1 215 . 1 . 1 21 21 ARG HG3 H 1 1.655 0.009 . 2 . . . . . 21 ARG HG3 . 51034 1 216 . 1 . 1 21 21 ARG HD2 H 1 2.819 0.002 . 1 . . . . . 21 ARG HD2 . 51034 1 217 . 1 . 1 21 21 ARG HD3 H 1 2.498 0.006 . 1 . . . . . 21 ARG HD3 . 51034 1 218 . 1 . 1 21 21 ARG CA C 13 56.151 0.066 . 1 . . . . . 21 ARG CA . 51034 1 219 . 1 . 1 21 21 ARG CB C 13 32.591 0.066 . 1 . . . . . 21 ARG CB . 51034 1 220 . 1 . 1 21 21 ARG CG C 13 27.071 0.045 . 1 . . . . . 21 ARG CG . 51034 1 221 . 1 . 1 21 21 ARG CD C 13 43.345 0.023 . 1 . . . . . 21 ARG CD . 51034 1 222 . 1 . 1 21 21 ARG N N 15 119.505 0.028 . 1 . . . . . 21 ARG N . 51034 1 223 . 1 . 1 22 22 VAL H H 1 8.461 0.009 . 1 . . . . . 22 VAL HN . 51034 1 224 . 1 . 1 22 22 VAL HA H 1 4.385 0.011 . 1 . . . . . 22 VAL HA . 51034 1 225 . 1 . 1 22 22 VAL HB H 1 1.960 0.004 . 1 . . . . . 22 VAL HB . 51034 1 226 . 1 . 1 22 22 VAL HG11 H 1 0.775 0.004 . 1 . . . . . 22 VAL QG1 . 51034 1 227 . 1 . 1 22 22 VAL HG12 H 1 0.775 0.004 . 1 . . . . . 22 VAL QG1 . 51034 1 228 . 1 . 1 22 22 VAL HG13 H 1 0.775 0.004 . 1 . . . . . 22 VAL QG1 . 51034 1 229 . 1 . 1 22 22 VAL HG21 H 1 1.023 0.005 . 1 . . . . . 22 VAL QG2 . 51034 1 230 . 1 . 1 22 22 VAL HG22 H 1 1.023 0.005 . 1 . . . . . 22 VAL QG2 . 51034 1 231 . 1 . 1 22 22 VAL HG23 H 1 1.023 0.005 . 1 . . . . . 22 VAL QG2 . 51034 1 232 . 1 . 1 22 22 VAL CA C 13 63.200 0.055 . 1 . . . . . 22 VAL CA . 51034 1 233 . 1 . 1 22 22 VAL CB C 13 32.931 0.065 . 1 . . . . . 22 VAL CB . 51034 1 234 . 1 . 1 22 22 VAL CG1 C 13 21.487 0.019 . 1 . . . . . 22 VAL CG1 . 51034 1 235 . 1 . 1 22 22 VAL CG2 C 13 22.142 0.016 . 1 . . . . . 22 VAL CG2 . 51034 1 236 . 1 . 1 22 22 VAL N N 15 124.393 0.029 . 1 . . . . . 22 VAL N . 51034 1 237 . 1 . 1 23 23 TYR H H 1 8.668 0.010 . 1 . . . . . 23 TYR HN . 51034 1 238 . 1 . 1 23 23 TYR HA H 1 4.905 0.014 . 1 . . . . . 23 TYR HA . 51034 1 239 . 1 . 1 23 23 TYR HB2 H 1 2.467 0.010 . 1 . . . . . 23 TYR HB2 . 51034 1 240 . 1 . 1 23 23 TYR HB3 H 1 2.790 0.005 . 1 . . . . . 23 TYR HB3 . 51034 1 241 . 1 . 1 23 23 TYR HD1 H 1 6.836 0.014 . 3 . . . . . 23 TYR QD . 51034 1 242 . 1 . 1 23 23 TYR HD2 H 1 6.836 0.014 . 3 . . . . . 23 TYR QD . 51034 1 243 . 1 . 1 23 23 TYR HE1 H 1 6.308 0.010 . 3 . . . . . 23 TYR QE . 51034 1 244 . 1 . 1 23 23 TYR HE2 H 1 6.308 0.010 . 3 . . . . . 23 TYR QE . 51034 1 245 . 1 . 1 23 23 TYR CA C 13 55.336 0.019 . 1 . . . . . 23 TYR CA . 51034 1 246 . 1 . 1 23 23 TYR CB C 13 39.832 0.046 . 1 . . . . . 23 TYR CB . 51034 1 247 . 1 . 1 23 23 TYR CD2 C 13 133.712 0.000 . 3 . . . . . 23 TYR CD2 . 51034 1 248 . 1 . 1 23 23 TYR CE2 C 13 117.933 0.000 . 3 . . . . . 23 TYR CE2 . 51034 1 249 . 1 . 1 23 23 TYR N N 15 121.958 0.022 . 1 . . . . . 23 TYR N . 51034 1 250 . 1 . 1 24 24 TYR H H 1 8.943 0.008 . 1 . . . . . 24 TYR HN . 51034 1 251 . 1 . 1 24 24 TYR HA H 1 5.317 0.005 . 1 . . . . . 24 TYR HA . 51034 1 252 . 1 . 1 24 24 TYR HB2 H 1 2.702 0.006 . 1 . . . . . 24 TYR HB2 . 51034 1 253 . 1 . 1 24 24 TYR HB3 H 1 2.971 0.005 . 1 . . . . . 24 TYR HB3 . 51034 1 254 . 1 . 1 24 24 TYR HD1 H 1 6.788 0.013 . 3 . . . . . 24 TYR QD . 51034 1 255 . 1 . 1 24 24 TYR HD2 H 1 6.788 0.013 . 3 . . . . . 24 TYR QD . 51034 1 256 . 1 . 1 24 24 TYR HE1 H 1 6.770 0.014 . 3 . . . . . 24 TYR QE . 51034 1 257 . 1 . 1 24 24 TYR HE2 H 1 6.770 0.014 . 3 . . . . . 24 TYR QE . 51034 1 258 . 1 . 1 24 24 TYR CA C 13 57.189 0.043 . 1 . . . . . 24 TYR CA . 51034 1 259 . 1 . 1 24 24 TYR CB C 13 41.483 0.064 . 1 . . . . . 24 TYR CB . 51034 1 260 . 1 . 1 24 24 TYR CD1 C 13 133.706 0.000 . 3 . . . . . 24 TYR CD1 . 51034 1 261 . 1 . 1 24 24 TYR CE2 C 13 117.289 0.000 . 3 . . . . . 24 TYR CE2 . 51034 1 262 . 1 . 1 24 24 TYR N N 15 116.610 0.014 . 1 . . . . . 24 TYR N . 51034 1 263 . 1 . 1 25 25 PHE H H 1 9.437 0.009 . 1 . . . . . 25 PHE HN . 51034 1 264 . 1 . 1 25 25 PHE HA H 1 5.687 0.005 . 1 . . . . . 25 PHE HA . 51034 1 265 . 1 . 1 25 25 PHE HB2 H 1 2.986 0.009 . 1 . . . . . 25 PHE HB2 . 51034 1 266 . 1 . 1 25 25 PHE HB3 H 1 2.546 0.007 . 1 . . . . . 25 PHE HB3 . 51034 1 267 . 1 . 1 25 25 PHE HD1 H 1 6.933 0.016 . 3 . . . . . 25 PHE QD . 51034 1 268 . 1 . 1 25 25 PHE HD2 H 1 6.933 0.016 . 3 . . . . . 25 PHE QD . 51034 1 269 . 1 . 1 25 25 PHE HE1 H 1 7.009 0.010 . 3 . . . . . 25 PHE QE . 51034 1 270 . 1 . 1 25 25 PHE HE2 H 1 7.009 0.010 . 3 . . . . . 25 PHE QE . 51034 1 271 . 1 . 1 25 25 PHE HZ H 1 7.383 0.016 . 1 . . . . . 25 PHE HZ . 51034 1 272 . 1 . 1 25 25 PHE CA C 13 55.435 0.026 . 1 . . . . . 25 PHE CA . 51034 1 273 . 1 . 1 25 25 PHE CB C 13 44.296 0.094 . 1 . . . . . 25 PHE CB . 51034 1 274 . 1 . 1 25 25 PHE CD2 C 13 131.717 0.000 . 3 . . . . . 25 PHE CD2 . 51034 1 275 . 1 . 1 25 25 PHE CE1 C 13 131.000 0.000 . 3 . . . . . 25 PHE CE1 . 51034 1 276 . 1 . 1 25 25 PHE CZ C 13 131.722 0.000 . 1 . . . . . 25 PHE CZ . 51034 1 277 . 1 . 1 25 25 PHE N N 15 124.474 0.036 . 1 . . . . . 25 PHE N . 51034 1 278 . 1 . 1 26 26 ASN H H 1 8.252 0.006 . 1 . . . . . 26 ASN HN . 51034 1 279 . 1 . 1 26 26 ASN HA H 1 4.264 0.009 . 1 . . . . . 26 ASN HA . 51034 1 280 . 1 . 1 26 26 ASN HB2 H 1 -0.665 0.012 . 1 . . . . . 26 ASN HB2 . 51034 1 281 . 1 . 1 26 26 ASN HB3 H 1 2.046 0.009 . 1 . . . . . 26 ASN HB3 . 51034 1 282 . 1 . 1 26 26 ASN HD21 H 1 6.507 0.011 . 1 . . . . . 26 ASN HD21 . 51034 1 283 . 1 . 1 26 26 ASN HD22 H 1 4.236 0.006 . 1 . . . . . 26 ASN HD22 . 51034 1 284 . 1 . 1 26 26 ASN CA C 13 50.620 0.077 . 1 . . . . . 26 ASN CA . 51034 1 285 . 1 . 1 26 26 ASN CB C 13 37.934 0.086 . 1 . . . . . 26 ASN CB . 51034 1 286 . 1 . 1 26 26 ASN N N 15 128.889 0.043 . 1 . . . . . 26 ASN N . 51034 1 287 . 1 . 1 26 26 ASN ND2 N 15 109.761 0.084 . 1 . . . . . 26 ASN ND2 . 51034 1 288 . 1 . 1 27 27 HIS H H 1 8.054 0.011 . 1 . . . . . 27 HIS HN . 51034 1 289 . 1 . 1 27 27 HIS HA H 1 4.050 0.007 . 1 . . . . . 27 HIS HA . 51034 1 290 . 1 . 1 27 27 HIS HB2 H 1 3.065 0.004 . 1 . . . . . 27 HIS HB2 . 51034 1 291 . 1 . 1 27 27 HIS HB3 H 1 3.380 0.003 . 1 . . . . . 27 HIS HB3 . 51034 1 292 . 1 . 1 27 27 HIS HD2 H 1 7.055 0.036 . 1 . . . . . 27 HIS HD2 . 51034 1 293 . 1 . 1 27 27 HIS CA C 13 56.891 0.050 . 1 . . . . . 27 HIS CA . 51034 1 294 . 1 . 1 27 27 HIS CB C 13 28.448 0.033 . 1 . . . . . 27 HIS CB . 51034 1 295 . 1 . 1 27 27 HIS CD2 C 13 120.431 0.000 . 1 . . . . . 27 HIS CD2 . 51034 1 296 . 1 . 1 27 27 HIS N N 15 119.850 0.103 . 1 . . . . . 27 HIS N . 51034 1 297 . 1 . 1 28 28 ILE H H 1 8.347 0.008 . 1 . . . . . 28 ILE HN . 51034 1 298 . 1 . 1 28 28 ILE HA H 1 3.843 0.004 . 1 . . . . . 28 ILE HA . 51034 1 299 . 1 . 1 28 28 ILE HB H 1 1.889 0.005 . 1 . . . . . 28 ILE HB . 51034 1 300 . 1 . 1 28 28 ILE HG12 H 1 0.927 0.007 . 1 . . . . . 28 ILE HG12 . 51034 1 301 . 1 . 1 28 28 ILE HG13 H 1 1.214 0.006 . 1 . . . . . 28 ILE HG13 . 51034 1 302 . 1 . 1 28 28 ILE HG21 H 1 0.730 0.005 . 1 . . . . . 28 ILE QG2 . 51034 1 303 . 1 . 1 28 28 ILE HG22 H 1 0.730 0.005 . 1 . . . . . 28 ILE QG2 . 51034 1 304 . 1 . 1 28 28 ILE HG23 H 1 0.730 0.005 . 1 . . . . . 28 ILE QG2 . 51034 1 305 . 1 . 1 28 28 ILE HD11 H 1 0.703 0.006 . 1 . . . . . 28 ILE QD1 . 51034 1 306 . 1 . 1 28 28 ILE HD12 H 1 0.703 0.006 . 1 . . . . . 28 ILE QD1 . 51034 1 307 . 1 . 1 28 28 ILE HD13 H 1 0.703 0.006 . 1 . . . . . 28 ILE QD1 . 51034 1 308 . 1 . 1 28 28 ILE CA C 13 63.178 0.058 . 1 . . . . . 28 ILE CA . 51034 1 309 . 1 . 1 28 28 ILE CB C 13 37.280 0.067 . 1 . . . . . 28 ILE CB . 51034 1 310 . 1 . 1 28 28 ILE CG1 C 13 27.822 0.037 . 1 . . . . . 28 ILE CG1 . 51034 1 311 . 1 . 1 28 28 ILE CG2 C 13 17.281 0.061 . 1 . . . . . 28 ILE CG2 . 51034 1 312 . 1 . 1 28 28 ILE CD1 C 13 12.186 0.061 . 1 . . . . . 28 ILE CD1 . 51034 1 313 . 1 . 1 28 28 ILE N N 15 121.593 0.035 . 1 . . . . . 28 ILE N . 51034 1 314 . 1 . 1 29 29 THR H H 1 7.263 0.008 . 1 . . . . . 29 THR HN . 51034 1 315 . 1 . 1 29 29 THR HA H 1 4.003 0.006 . 1 . . . . . 29 THR HA . 51034 1 316 . 1 . 1 29 29 THR HB H 1 4.152 0.006 . 1 . . . . . 29 THR HB . 51034 1 317 . 1 . 1 29 29 THR HG21 H 1 0.916 0.004 . 1 . . . . . 29 THR QG2 . 51034 1 318 . 1 . 1 29 29 THR HG22 H 1 0.916 0.004 . 1 . . . . . 29 THR QG2 . 51034 1 319 . 1 . 1 29 29 THR HG23 H 1 0.916 0.004 . 1 . . . . . 29 THR QG2 . 51034 1 320 . 1 . 1 29 29 THR CA C 13 61.190 0.086 . 1 . . . . . 29 THR CA . 51034 1 321 . 1 . 1 29 29 THR CB C 13 69.568 0.080 . 1 . . . . . 29 THR CB . 51034 1 322 . 1 . 1 29 29 THR CG2 C 13 21.492 0.091 . 1 . . . . . 29 THR CG2 . 51034 1 323 . 1 . 1 29 29 THR N N 15 107.548 0.134 . 1 . . . . . 29 THR N . 51034 1 324 . 1 . 1 30 30 ASN H H 1 7.895 0.006 . 1 . . . . . 30 ASN HN . 51034 1 325 . 1 . 1 30 30 ASN HA H 1 4.271 0.012 . 1 . . . . . 30 ASN HA . 51034 1 326 . 1 . 1 30 30 ASN HB2 H 1 2.851 0.004 . 2 . . . . . 30 ASN HB2 . 51034 1 327 . 1 . 1 30 30 ASN HB3 H 1 3.130 0.007 . 2 . . . . . 30 ASN HB3 . 51034 1 328 . 1 . 1 30 30 ASN HD21 H 1 7.567 0.016 . 1 . . . . . 30 ASN HD21 . 51034 1 329 . 1 . 1 30 30 ASN HD22 H 1 6.778 0.003 . 1 . . . . . 30 ASN HD22 . 51034 1 330 . 1 . 1 30 30 ASN CA C 13 54.682 0.020 . 1 . . . . . 30 ASN CA . 51034 1 331 . 1 . 1 30 30 ASN CB C 13 37.298 0.059 . 1 . . . . . 30 ASN CB . 51034 1 332 . 1 . 1 30 30 ASN N N 15 117.790 0.020 . 1 . . . . . 30 ASN N . 51034 1 333 . 1 . 1 30 30 ASN ND2 N 15 111.680 0.030 . 1 . . . . . 30 ASN ND2 . 51034 1 334 . 1 . 1 31 31 ALA H H 1 7.148 0.005 . 1 . . . . . 31 ALA HN . 51034 1 335 . 1 . 1 31 31 ALA HA H 1 4.485 0.003 . 1 . . . . . 31 ALA HA . 51034 1 336 . 1 . 1 31 31 ALA HB1 H 1 1.256 0.004 . 1 . . . . . 31 ALA HB# . 51034 1 337 . 1 . 1 31 31 ALA HB2 H 1 1.256 0.004 . 1 . . . . . 31 ALA HB# . 51034 1 338 . 1 . 1 31 31 ALA HB3 H 1 1.256 0.004 . 1 . . . . . 31 ALA HB# . 51034 1 339 . 1 . 1 31 31 ALA CA C 13 52.062 0.042 . 1 . . . . . 31 ALA CA . 51034 1 340 . 1 . 1 31 31 ALA CB C 13 20.890 0.038 . 1 . . . . . 31 ALA CB . 51034 1 341 . 1 . 1 31 31 ALA N N 15 121.406 0.033 . 1 . . . . . 31 ALA N . 51034 1 342 . 1 . 1 32 32 SER H H 1 8.305 0.005 . 1 . . . . . 32 SER HN . 51034 1 343 . 1 . 1 32 32 SER HA H 1 6.049 0.004 . 1 . . . . . 32 SER HA . 51034 1 344 . 1 . 1 32 32 SER HB2 H 1 3.978 0.005 . 1 . . . . . 32 SER HB2 . 51034 1 345 . 1 . 1 32 32 SER HB3 H 1 3.875 0.004 . 1 . . . . . 32 SER HB3 . 51034 1 346 . 1 . 1 32 32 SER CA C 13 56.133 0.034 . 1 . . . . . 32 SER CA . 51034 1 347 . 1 . 1 32 32 SER CB C 13 66.976 0.038 . 1 . . . . . 32 SER CB . 51034 1 348 . 1 . 1 32 32 SER N N 15 112.766 0.023 . 1 . . . . . 32 SER N . 51034 1 349 . 1 . 1 33 33 GLN H H 1 9.466 0.006 . 1 . . . . . 33 GLN HN . 51034 1 350 . 1 . 1 33 33 GLN HA H 1 4.859 0.000 . 1 . . . . . 33 GLN HA . 51034 1 351 . 1 . 1 33 33 GLN HB2 H 1 2.715 0.004 . 1 . . . . . 33 GLN HB2 . 51034 1 352 . 1 . 1 33 33 GLN HB3 H 1 2.246 0.003 . 1 . . . . . 33 GLN HB3 . 51034 1 353 . 1 . 1 33 33 GLN HG2 H 1 2.527 0.013 . 2 . . . . . 33 GLN HG2 . 51034 1 354 . 1 . 1 33 33 GLN HG3 H 1 2.529 0.012 . 2 . . . . . 33 GLN HG3 . 51034 1 355 . 1 . 1 33 33 GLN HE21 H 1 6.657 0.004 . 1 . . . . . 33 GLN HE21 . 51034 1 356 . 1 . 1 33 33 GLN HE22 H 1 7.544 0.006 . 1 . . . . . 33 GLN HE22 . 51034 1 357 . 1 . 1 33 33 GLN CB C 13 31.556 0.054 . 1 . . . . . 33 GLN CB . 51034 1 358 . 1 . 1 33 33 GLN CG C 13 31.523 0.045 . 1 . . . . . 33 GLN CG . 51034 1 359 . 1 . 1 33 33 GLN N N 15 116.166 0.024 . 1 . . . . . 33 GLN N . 51034 1 360 . 1 . 1 33 33 GLN NE2 N 15 113.134 0.015 . 1 . . . . . 33 GLN NE2 . 51034 1 361 . 1 . 1 34 34 TRP H H 1 8.815 0.004 . 1 . . . . . 34 TRP HN . 51034 1 362 . 1 . 1 34 34 TRP HA H 1 4.961 0.007 . 1 . . . . . 34 TRP HA . 51034 1 363 . 1 . 1 34 34 TRP HB2 H 1 3.532 0.007 . 2 . . . . . 34 TRP HB2 . 51034 1 364 . 1 . 1 34 34 TRP HB3 H 1 3.159 0.006 . 2 . . . . . 34 TRP HB3 . 51034 1 365 . 1 . 1 34 34 TRP HD1 H 1 7.391 0.005 . 1 . . . . . 34 TRP HD1 . 51034 1 366 . 1 . 1 34 34 TRP HE1 H 1 9.531 0.003 . 1 . . . . . 34 TRP HE1 . 51034 1 367 . 1 . 1 34 34 TRP HE3 H 1 7.386 0.010 . 1 . . . . . 34 TRP HE3 . 51034 1 368 . 1 . 1 34 34 TRP HZ2 H 1 7.255 0.009 . 1 . . . . . 34 TRP HZ2 . 51034 1 369 . 1 . 1 34 34 TRP HZ3 H 1 6.865 0.014 . 1 . . . . . 34 TRP HZ3 . 51034 1 370 . 1 . 1 34 34 TRP HH2 H 1 6.951 0.015 . 1 . . . . . 34 TRP HH2 . 51034 1 371 . 1 . 1 34 34 TRP CA C 13 59.177 0.019 . 1 . . . . . 34 TRP CA . 51034 1 372 . 1 . 1 34 34 TRP CB C 13 31.047 0.040 . 1 . . . . . 34 TRP CB . 51034 1 373 . 1 . 1 34 34 TRP CD1 C 13 128.043 0.000 . 1 . . . . . 34 TRP CD1 . 51034 1 374 . 1 . 1 34 34 TRP CE3 C 13 120.386 0.000 . 1 . . . . . 34 TRP CE3 . 51034 1 375 . 1 . 1 34 34 TRP CZ2 C 13 115.309 0.000 . 1 . . . . . 34 TRP CZ2 . 51034 1 376 . 1 . 1 34 34 TRP CZ3 C 13 122.311 0.000 . 1 . . . . . 34 TRP CZ3 . 51034 1 377 . 1 . 1 34 34 TRP CH2 C 13 124.057 0.000 . 1 . . . . . 34 TRP CH2 . 51034 1 378 . 1 . 1 34 34 TRP N N 15 121.350 0.017 . 1 . . . . . 34 TRP N . 51034 1 379 . 1 . 1 34 34 TRP NE1 N 15 128.275 0.034 . 1 . . . . . 34 TRP NE1 . 51034 1 380 . 1 . 1 35 35 GLU H H 1 8.294 0.005 . 1 . . . . . 35 GLU HN . 51034 1 381 . 1 . 1 35 35 GLU HA H 1 4.305 0.007 . 1 . . . . . 35 GLU HA . 51034 1 382 . 1 . 1 35 35 GLU HB2 H 1 1.914 0.022 . 1 . . . . . 35 GLU HB2 . 51034 1 383 . 1 . 1 35 35 GLU HB3 H 1 1.835 0.011 . 1 . . . . . 35 GLU HB3 . 51034 1 384 . 1 . 1 35 35 GLU HG2 H 1 2.266 0.011 . 2 . . . . . 35 GLU QG . 51034 1 385 . 1 . 1 35 35 GLU HG3 H 1 2.266 0.011 . 2 . . . . . 35 GLU QG . 51034 1 386 . 1 . 1 35 35 GLU CA C 13 56.316 0.049 . 1 . . . . . 35 GLU CA . 51034 1 387 . 1 . 1 35 35 GLU CB C 13 29.840 0.054 . 1 . . . . . 35 GLU CB . 51034 1 388 . 1 . 1 35 35 GLU CG C 13 36.574 0.053 . 1 . . . . . 35 GLU CG . 51034 1 389 . 1 . 1 35 35 GLU N N 15 116.963 0.026 . 1 . . . . . 35 GLU N . 51034 1 390 . 1 . 1 36 36 ARG H H 1 8.456 0.006 . 1 . . . . . 36 ARG HN . 51034 1 391 . 1 . 1 36 36 ARG HA H 1 2.697 0.004 . 1 . . . . . 36 ARG HA . 51034 1 392 . 1 . 1 36 36 ARG HB2 H 1 1.374 0.005 . 1 . . . . . 36 ARG QB . 51034 1 393 . 1 . 1 36 36 ARG HB3 H 1 1.374 0.005 . 1 . . . . . 36 ARG QB . 51034 1 394 . 1 . 1 36 36 ARG HG2 H 1 1.184 0.004 . 1 . . . . . 36 ARG HG2 . 51034 1 395 . 1 . 1 36 36 ARG HG3 H 1 0.925 0.005 . 1 . . . . . 36 ARG HG3 . 51034 1 396 . 1 . 1 36 36 ARG HD2 H 1 2.999 0.007 . 1 . . . . . 36 ARG HD2 . 51034 1 397 . 1 . 1 36 36 ARG HD3 H 1 3.009 0.005 . 1 . . . . . 36 ARG HD3 . 51034 1 398 . 1 . 1 36 36 ARG CA C 13 54.050 0.032 . 1 . . . . . 36 ARG CA . 51034 1 399 . 1 . 1 36 36 ARG CB C 13 29.878 0.056 . 1 . . . . . 36 ARG CB . 51034 1 400 . 1 . 1 36 36 ARG CG C 13 26.935 0.066 . 1 . . . . . 36 ARG CG . 51034 1 401 . 1 . 1 36 36 ARG CD C 13 43.164 0.043 . 1 . . . . . 36 ARG CD . 51034 1 402 . 1 . 1 36 36 ARG N N 15 125.366 0.037 . 1 . . . . . 36 ARG N . 51034 1 403 . 1 . 1 37 37 PRO HA H 1 3.846 0.003 . 1 . . . . . 37 PRO HA . 51034 1 404 . 1 . 1 37 37 PRO HB2 H 1 0.781 0.007 . 1 . . . . . 37 PRO HB2 . 51034 1 405 . 1 . 1 37 37 PRO HB3 H 1 0.614 0.010 . 1 . . . . . 37 PRO HB3 . 51034 1 406 . 1 . 1 37 37 PRO HG2 H 1 0.557 0.006 . 1 . . . . . 37 PRO HG2 . 51034 1 407 . 1 . 1 37 37 PRO HG3 H 1 -0.056 0.005 . 1 . . . . . 37 PRO HG3 . 51034 1 408 . 1 . 1 37 37 PRO HD2 H 1 2.279 0.005 . 2 . . . . . 37 PRO HD2 . 51034 1 409 . 1 . 1 37 37 PRO HD3 H 1 2.472 0.007 . 2 . . . . . 37 PRO HD3 . 51034 1 410 . 1 . 1 37 37 PRO CA C 13 61.717 0.059 . 1 . . . . . 37 PRO CA . 51034 1 411 . 1 . 1 37 37 PRO CB C 13 30.959 0.064 . 1 . . . . . 37 PRO CB . 51034 1 412 . 1 . 1 37 37 PRO CG C 13 25.680 0.065 . 1 . . . . . 37 PRO CG . 51034 1 413 . 1 . 1 37 37 PRO CD C 13 49.848 0.014 . 1 . . . . . 37 PRO CD . 51034 1 414 . 1 . 1 38 38 SER H H 1 8.060 0.004 . 1 . . . . . 38 SER HN . 51034 1 415 . 1 . 1 38 38 SER HA H 1 4.302 0.002 . 1 . . . . . 38 SER HA . 51034 1 416 . 1 . 1 38 38 SER HB2 H 1 3.771 0.008 . 1 . . . . . 38 SER HB2 . 51034 1 417 . 1 . 1 38 38 SER HB3 H 1 3.692 0.005 . 1 . . . . . 38 SER HB3 . 51034 1 418 . 1 . 1 38 38 SER CA C 13 57.522 0.005 . 1 . . . . . 38 SER CA . 51034 1 419 . 1 . 1 38 38 SER CB C 13 64.470 0.014 . 1 . . . . . 38 SER CB . 51034 1 420 . 1 . 1 38 38 SER N N 15 115.228 0.038 . 1 . . . . . 38 SER N . 51034 1 421 . 1 . 1 39 39 GLY H H 1 8.477 0.005 . 1 . . . . . 39 GLY HN . 51034 1 422 . 1 . 1 39 39 GLY HA2 H 1 3.967 0.009 . 2 . . . . . 39 GLY QA . 51034 1 423 . 1 . 1 39 39 GLY HA3 H 1 3.967 0.009 . 2 . . . . . 39 GLY QA . 51034 1 424 . 1 . 1 39 39 GLY CA C 13 45.155 0.007 . 1 . . . . . 39 GLY CA . 51034 1 425 . 1 . 1 39 39 GLY N N 15 110.400 0.029 . 1 . . . . . 39 GLY N . 51034 1 426 . 1 . 1 40 40 ASN H H 1 8.396 0.003 . 1 . . . . . 40 ASN HN . 51034 1 427 . 1 . 1 40 40 ASN HA H 1 4.766 0.010 . 1 . . . . . 40 ASN HA . 51034 1 428 . 1 . 1 40 40 ASN HB2 H 1 2.820 0.006 . 2 . . . . . 40 ASN HB2 . 51034 1 429 . 1 . 1 40 40 ASN HB3 H 1 2.748 0.004 . 2 . . . . . 40 ASN HB3 . 51034 1 430 . 1 . 1 40 40 ASN HD21 H 1 7.595 0.005 . 2 . . . . . 40 ASN HD21 . 51034 1 431 . 1 . 1 40 40 ASN HD22 H 1 6.933 0.003 . 2 . . . . . 40 ASN HD22 . 51034 1 432 . 1 . 1 40 40 ASN CA C 13 53.172 0.000 . 1 . . . . . 40 ASN CA . 51034 1 433 . 1 . 1 40 40 ASN CB C 13 38.975 0.030 . 1 . . . . . 40 ASN CB . 51034 1 434 . 1 . 1 40 40 ASN N N 15 118.603 0.007 . 1 . . . . . 40 ASN N . 51034 1 435 . 1 . 1 40 40 ASN ND2 N 15 112.975 0.137 . 1 . . . . . 40 ASN ND2 . 51034 1 436 . 1 . 1 41 41 SER H H 1 8.398 0.005 . 1 . . . . . 41 SER HN . 51034 1 437 . 1 . 1 41 41 SER HA H 1 4.466 0.006 . 1 . . . . . 41 SER HA . 51034 1 438 . 1 . 1 41 41 SER HB2 H 1 3.909 0.011 . 1 . . . . . 41 SER HB2 . 51034 1 439 . 1 . 1 41 41 SER HB3 H 1 3.867 0.007 . 1 . . . . . 41 SER HB3 . 51034 1 440 . 1 . 1 41 41 SER CA C 13 58.395 0.065 . 1 . . . . . 41 SER CA . 51034 1 441 . 1 . 1 41 41 SER CB C 13 63.734 0.032 . 1 . . . . . 41 SER CB . 51034 1 442 . 1 . 1 41 41 SER N N 15 116.504 0.013 . 1 . . . . . 41 SER N . 51034 1 443 . 1 . 1 42 42 SER H H 1 8.344 0.003 . 1 . . . . . 42 SER HN . 51034 1 444 . 1 . 1 42 42 SER HA H 1 4.502 0.014 . 1 . . . . . 42 SER HA . 51034 1 445 . 1 . 1 42 42 SER HB2 H 1 3.915 0.002 . 2 . . . . . 42 SER HB2 . 51034 1 446 . 1 . 1 42 42 SER HB3 H 1 3.863 0.001 . 2 . . . . . 42 SER HB3 . 51034 1 447 . 1 . 1 42 42 SER CA C 13 58.591 0.000 . 1 . . . . . 42 SER CA . 51034 1 448 . 1 . 1 42 42 SER CB C 13 63.745 0.006 . 1 . . . . . 42 SER CB . 51034 1 449 . 1 . 1 42 42 SER N N 15 117.578 0.015 . 1 . . . . . 42 SER N . 51034 1 450 . 1 . 1 43 43 SER H H 1 8.432 0.009 . 1 . . . . . 43 SER HN . 51034 1 451 . 1 . 1 43 43 SER HA H 1 4.471 0.011 . 1 . . . . . 43 SER HA . 51034 1 452 . 1 . 1 43 43 SER HB2 H 1 3.916 0.002 . 2 . . . . . 43 SER HB2 . 51034 1 453 . 1 . 1 43 43 SER HB3 H 1 3.864 0.002 . 2 . . . . . 43 SER HB3 . 51034 1 454 . 1 . 1 43 43 SER CA C 13 58.354 0.019 . 1 . . . . . 43 SER CA . 51034 1 455 . 1 . 1 43 43 SER CB C 13 63.759 0.002 . 1 . . . . . 43 SER CB . 51034 1 456 . 1 . 1 43 43 SER N N 15 117.841 0.015 . 1 . . . . . 43 SER N . 51034 1 457 . 1 . 1 44 44 GLY H H 1 8.394 0.002 . 1 . . . . . 44 GLY HN . 51034 1 458 . 1 . 1 44 44 GLY HA2 H 1 3.922 0.022 . 2 . . . . . 44 GLY HA1 . 51034 1 459 . 1 . 1 44 44 GLY HA3 H 1 3.981 0.003 . 2 . . . . . 44 GLY HA2 . 51034 1 460 . 1 . 1 44 44 GLY CA C 13 45.107 0.019 . 1 . . . . . 44 GLY CA . 51034 1 461 . 1 . 1 44 44 GLY N N 15 110.610 0.019 . 1 . . . . . 44 GLY N . 51034 1 462 . 1 . 1 45 45 GLY H H 1 8.240 0.005 . 1 . . . . . 45 GLY HN . 51034 1 463 . 1 . 1 45 45 GLY HA2 H 1 3.956 0.012 . 2 . . . . . 45 GLY HA1 . 51034 1 464 . 1 . 1 45 45 GLY HA3 H 1 3.952 0.010 . 2 . . . . . 45 GLY HA2 . 51034 1 465 . 1 . 1 45 45 GLY CA C 13 45.075 0.040 . 1 . . . . . 45 GLY CA . 51034 1 466 . 1 . 1 45 45 GLY N N 15 108.559 0.041 . 1 . . . . . 45 GLY N . 51034 1 467 . 1 . 1 46 46 LYS H H 1 8.175 0.039 . 1 . . . . . 46 LYS HN . 51034 1 468 . 1 . 1 46 46 LYS HA H 1 4.349 0.005 . 1 . . . . . 46 LYS HA . 51034 1 469 . 1 . 1 46 46 LYS HB2 H 1 1.821 0.016 . 2 . . . . . 46 LYS HB2 . 51034 1 470 . 1 . 1 46 46 LYS HB3 H 1 1.696 0.001 . 2 . . . . . 46 LYS HB3 . 51034 1 471 . 1 . 1 46 46 LYS HG2 H 1 1.420 0.007 . 2 . . . . . 46 LYS HG2 . 51034 1 472 . 1 . 1 46 46 LYS HG3 H 1 1.369 0.000 . 2 . . . . . 46 LYS HG3 . 51034 1 473 . 1 . 1 46 46 LYS HD2 H 1 1.642 0.019 . 2 . . . . . 46 LYS HD2 . 51034 1 474 . 1 . 1 46 46 LYS HD3 H 1 1.615 0.009 . 2 . . . . . 46 LYS HD3 . 51034 1 475 . 1 . 1 46 46 LYS HE2 H 1 2.968 0.000 . 2 . . . . . 46 LYS HE2 . 51034 1 476 . 1 . 1 46 46 LYS HE3 H 1 2.987 0.000 . 2 . . . . . 46 LYS HE3 . 51034 1 477 . 1 . 1 46 46 LYS CA C 13 55.985 0.000 . 1 . . . . . 46 LYS CA . 51034 1 478 . 1 . 1 46 46 LYS CB C 13 33.133 0.000 . 1 . . . . . 46 LYS CB . 51034 1 479 . 1 . 1 46 46 LYS CG C 13 24.571 0.015 . 1 . . . . . 46 LYS CG . 51034 1 480 . 1 . 1 46 46 LYS CD C 13 28.691 0.003 . 1 . . . . . 46 LYS CD . 51034 1 481 . 1 . 1 46 46 LYS CE C 13 42.215 0.000 . 1 . . . . . 46 LYS CE . 51034 1 482 . 1 . 1 46 46 LYS N N 15 120.765 0.067 . 1 . . . . . 46 LYS N . 51034 1 483 . 1 . 1 47 47 ASN H H 1 8.082 0.011 . 1 . . . . . 47 ASN HN . 51034 1 484 . 1 . 1 47 47 ASN HA H 1 4.474 0.002 . 1 . . . . . 47 ASN HA . 51034 1 485 . 1 . 1 47 47 ASN HB2 H 1 2.822 0.004 . 2 . . . . . 47 ASN HB2 . 51034 1 486 . 1 . 1 47 47 ASN HB3 H 1 2.745 0.008 . 2 . . . . . 47 ASN HB3 . 51034 1 487 . 1 . 1 47 47 ASN HD21 H 1 7.589 0.013 . 2 . . . . . 47 ASN HD21 . 51034 1 488 . 1 . 1 47 47 ASN HD22 H 1 6.933 0.003 . 2 . . . . . 47 ASN HD22 . 51034 1 489 . 1 . 1 47 47 ASN CA C 13 54.810 0.030 . 1 . . . . . 47 ASN CA . 51034 1 490 . 1 . 1 47 47 ASN CB C 13 38.962 0.012 . 1 . . . . . 47 ASN CB . 51034 1 491 . 1 . 1 47 47 ASN N N 15 125.361 0.032 . 1 . . . . . 47 ASN N . 51034 1 492 . 1 . 1 47 47 ASN ND2 N 15 112.952 0.111 . 1 . . . . . 47 ASN ND2 . 51034 1 493 . 1 . 1 48 48 GLY H H 1 8.290 0.007 . 1 . . . . . 48 GLY HN . 51034 1 494 . 1 . 1 48 48 GLY HA2 H 1 3.906 0.002 . 2 . . . . . 48 GLY QA . 51034 1 495 . 1 . 1 48 48 GLY HA3 H 1 3.906 0.002 . 2 . . . . . 48 GLY QA . 51034 1 496 . 1 . 1 48 48 GLY CA C 13 45.446 0.003 . 1 . . . . . 48 GLY CA . 51034 1 497 . 1 . 1 48 48 GLY N N 15 114.089 0.016 . 1 . . . . . 48 GLY N . 51034 1 498 . 1 . 1 49 49 GLN H H 1 8.418 0.004 . 1 . . . . . 49 GLN HN . 51034 1 499 . 1 . 1 49 49 GLN HA H 1 4.356 0.005 . 1 . . . . . 49 GLN HA . 51034 1 500 . 1 . 1 49 49 GLN HB2 H 1 2.145 0.002 . 2 . . . . . 49 GLN HB2 . 51034 1 501 . 1 . 1 49 49 GLN HB3 H 1 1.984 0.007 . 2 . . . . . 49 GLN HB3 . 51034 1 502 . 1 . 1 49 49 GLN HG2 H 1 2.344 0.006 . 2 . . . . . 49 GLN QG . 51034 1 503 . 1 . 1 49 49 GLN HG3 H 1 2.344 0.006 . 2 . . . . . 49 GLN QG . 51034 1 504 . 1 . 1 49 49 GLN HE21 H 1 6.841 0.005 . 2 . . . . . 49 GLN HE21 . 51034 1 505 . 1 . 1 49 49 GLN HE22 H 1 7.520 0.008 . 2 . . . . . 49 GLN HE22 . 51034 1 506 . 1 . 1 49 49 GLN CA C 13 55.611 0.013 . 1 . . . . . 49 GLN CA . 51034 1 507 . 1 . 1 49 49 GLN CB C 13 29.469 0.037 . 1 . . . . . 49 GLN CB . 51034 1 508 . 1 . 1 49 49 GLN CG C 13 33.797 0.042 . 1 . . . . . 49 GLN CG . 51034 1 509 . 1 . 1 49 49 GLN N N 15 119.613 0.027 . 1 . . . . . 49 GLN N . 51034 1 510 . 1 . 1 49 49 GLN NE2 N 15 112.452 0.043 . 1 . . . . . 49 GLN NE2 . 51034 1 511 . 1 . 1 50 50 GLY H H 1 8.419 0.003 . 1 . . . . . 50 GLY HN . 51034 1 512 . 1 . 1 50 50 GLY HA2 H 1 3.941 0.007 . 2 . . . . . 50 GLY QA . 51034 1 513 . 1 . 1 50 50 GLY HA3 H 1 3.941 0.007 . 2 . . . . . 50 GLY QA . 51034 1 514 . 1 . 1 50 50 GLY CA C 13 44.979 0.034 . 1 . . . . . 50 GLY CA . 51034 1 515 . 1 . 1 50 50 GLY N N 15 110.056 0.036 . 1 . . . . . 50 GLY N . 51034 1 516 . 1 . 1 51 51 GLU H H 1 8.218 0.008 . 1 . . . . . 51 GLU HN . 51034 1 517 . 1 . 1 51 51 GLU HA H 1 4.662 0.018 . 1 . . . . . 51 GLU HA . 51034 1 518 . 1 . 1 51 51 GLU HB2 H 1 2.012 0.002 . 2 . . . . . 51 GLU QB . 51034 1 519 . 1 . 1 51 51 GLU HB3 H 1 2.012 0.002 . 2 . . . . . 51 GLU QB . 51034 1 520 . 1 . 1 51 51 GLU HG2 H 1 2.357 0.005 . 2 . . . . . 51 GLU QG . 51034 1 521 . 1 . 1 51 51 GLU HG3 H 1 2.357 0.005 . 2 . . . . . 51 GLU QG . 51034 1 522 . 1 . 1 51 51 GLU CA C 13 54.164 0.053 . 1 . . . . . 51 GLU CA . 51034 1 523 . 1 . 1 51 51 GLU CB C 13 30.249 0.057 . 1 . . . . . 51 GLU CB . 51034 1 524 . 1 . 1 51 51 GLU CG C 13 35.802 0.039 . 1 . . . . . 51 GLU CG . 51034 1 525 . 1 . 1 51 51 GLU N N 15 121.860 0.028 . 1 . . . . . 51 GLU N . 51034 1 526 . 1 . 1 52 52 PRO HA H 1 4.516 0.003 . 1 . . . . . 52 PRO HA . 51034 1 527 . 1 . 1 52 52 PRO HB2 H 1 2.287 0.009 . 1 . . . . . 52 PRO HB2 . 51034 1 528 . 1 . 1 52 52 PRO HB3 H 1 1.995 0.007 . 1 . . . . . 52 PRO HB3 . 51034 1 529 . 1 . 1 52 52 PRO HG2 H 1 1.927 0.011 . 2 . . . . . 52 PRO HG2 . 51034 1 530 . 1 . 1 52 52 PRO HG3 H 1 1.942 0.008 . 2 . . . . . 52 PRO HG3 . 51034 1 531 . 1 . 1 52 52 PRO HD2 H 1 3.821 0.010 . 2 . . . . . 52 PRO QD . 51034 1 532 . 1 . 1 52 52 PRO HD3 H 1 3.821 0.010 . 2 . . . . . 52 PRO QD . 51034 1 533 . 1 . 1 52 52 PRO CA C 13 62.516 0.020 . 1 . . . . . 52 PRO CA . 51034 1 534 . 1 . 1 52 52 PRO CB C 13 32.019 0.066 . 1 . . . . . 52 PRO CB . 51034 1 535 . 1 . 1 52 52 PRO CG C 13 27.427 0.012 . 1 . . . . . 52 PRO CG . 51034 1 536 . 1 . 1 52 52 PRO CD C 13 50.420 0.112 . 1 . . . . . 52 PRO CD . 51034 1 537 . 1 . 1 53 53 ALA H H 1 8.585 0.008 . 1 . . . . . 53 ALA HN . 51034 1 538 . 1 . 1 53 53 ALA HA H 1 4.229 0.004 . 1 . . . . . 53 ALA HA . 51034 1 539 . 1 . 1 53 53 ALA HB1 H 1 1.464 0.004 . 1 . . . . . 53 ALA HB# . 51034 1 540 . 1 . 1 53 53 ALA HB2 H 1 1.464 0.004 . 1 . . . . . 53 ALA HB# . 51034 1 541 . 1 . 1 53 53 ALA HB3 H 1 1.464 0.004 . 1 . . . . . 53 ALA HB# . 51034 1 542 . 1 . 1 53 53 ALA CA C 13 53.644 0.027 . 1 . . . . . 53 ALA CA . 51034 1 543 . 1 . 1 53 53 ALA CB C 13 19.219 0.007 . 1 . . . . . 53 ALA CB . 51034 1 544 . 1 . 1 53 53 ALA N N 15 122.627 0.021 . 1 . . . . . 53 ALA N . 51034 1 545 . 1 . 1 54 54 ARG H H 1 7.706 0.006 . 1 . . . . . 54 ARG HN . 51034 1 546 . 1 . 1 54 54 ARG HA H 1 4.990 0.004 . 1 . . . . . 54 ARG HA . 51034 1 547 . 1 . 1 54 54 ARG HB2 H 1 1.485 0.007 . 2 . . . . . 54 ARG QB . 51034 1 548 . 1 . 1 54 54 ARG HB3 H 1 1.485 0.007 . 2 . . . . . 54 ARG QB . 51034 1 549 . 1 . 1 54 54 ARG HG2 H 1 1.402 0.009 . 2 . . . . . 54 ARG QG . 51034 1 550 . 1 . 1 54 54 ARG HG3 H 1 1.402 0.009 . 2 . . . . . 54 ARG QG . 51034 1 551 . 1 . 1 54 54 ARG HD2 H 1 2.970 0.003 . 2 . . . . . 54 ARG QD . 51034 1 552 . 1 . 1 54 54 ARG HD3 H 1 2.970 0.003 . 2 . . . . . 54 ARG QD . 51034 1 553 . 1 . 1 54 54 ARG CA C 13 54.198 0.068 . 1 . . . . . 54 ARG CA . 51034 1 554 . 1 . 1 54 54 ARG CB C 13 34.153 0.029 . 1 . . . . . 54 ARG CB . 51034 1 555 . 1 . 1 54 54 ARG CG C 13 26.609 0.044 . 1 . . . . . 54 ARG CG . 51034 1 556 . 1 . 1 54 54 ARG CD C 13 43.750 0.037 . 1 . . . . . 54 ARG CD . 51034 1 557 . 1 . 1 54 54 ARG N N 15 115.407 0.022 . 1 . . . . . 54 ARG N . 51034 1 558 . 1 . 1 55 55 VAL H H 1 7.834 0.006 . 1 . . . . . 55 VAL HN . 51034 1 559 . 1 . 1 55 55 VAL HA H 1 4.279 0.007 . 1 . . . . . 55 VAL HA . 51034 1 560 . 1 . 1 55 55 VAL HB H 1 1.369 0.009 . 1 . . . . . 55 VAL HB . 51034 1 561 . 1 . 1 55 55 VAL HG11 H 1 0.066 0.002 . 1 . . . . . 55 VAL QG1 . 51034 1 562 . 1 . 1 55 55 VAL HG12 H 1 0.066 0.002 . 1 . . . . . 55 VAL QG1 . 51034 1 563 . 1 . 1 55 55 VAL HG13 H 1 0.066 0.002 . 1 . . . . . 55 VAL QG1 . 51034 1 564 . 1 . 1 55 55 VAL HG21 H 1 -0.622 0.007 . 1 . . . . . 55 VAL QG2 . 51034 1 565 . 1 . 1 55 55 VAL HG22 H 1 -0.622 0.007 . 1 . . . . . 55 VAL QG2 . 51034 1 566 . 1 . 1 55 55 VAL HG23 H 1 -0.622 0.007 . 1 . . . . . 55 VAL QG2 . 51034 1 567 . 1 . 1 55 55 VAL CA C 13 58.763 0.024 . 1 . . . . . 55 VAL CA . 51034 1 568 . 1 . 1 55 55 VAL CB C 13 35.017 0.013 . 1 . . . . . 55 VAL CB . 51034 1 569 . 1 . 1 55 55 VAL CG1 C 13 20.957 0.053 . 1 . . . . . 55 VAL CG1 . 51034 1 570 . 1 . 1 55 55 VAL CG2 C 13 17.871 0.047 . 1 . . . . . 55 VAL CG2 . 51034 1 571 . 1 . 1 55 55 VAL N N 15 113.731 0.020 . 1 . . . . . 55 VAL N . 51034 1 572 . 1 . 1 56 56 ARG H H 1 8.183 0.009 . 1 . . . . . 56 ARG HN . 51034 1 573 . 1 . 1 56 56 ARG HA H 1 4.797 0.016 . 1 . . . . . 56 ARG HA . 51034 1 574 . 1 . 1 56 56 ARG HB2 H 1 1.252 0.014 . 1 . . . . . 56 ARG HB2 . 51034 1 575 . 1 . 1 56 56 ARG HB3 H 1 1.695 0.005 . 1 . . . . . 56 ARG HB3 . 51034 1 576 . 1 . 1 56 56 ARG HG2 H 1 1.161 0.008 . 2 . . . . . 56 ARG HG2 . 51034 1 577 . 1 . 1 56 56 ARG HG3 H 1 1.401 0.007 . 2 . . . . . 56 ARG HG3 . 51034 1 578 . 1 . 1 56 56 ARG HD2 H 1 2.900 0.010 . 2 . . . . . 56 ARG HD2 . 51034 1 579 . 1 . 1 56 56 ARG HD3 H 1 2.879 0.016 . 2 . . . . . 56 ARG HD3 . 51034 1 580 . 1 . 1 56 56 ARG CA C 13 55.054 0.000 . 1 . . . . . 56 ARG CA . 51034 1 581 . 1 . 1 56 56 ARG CB C 13 34.379 0.021 . 1 . . . . . 56 ARG CB . 51034 1 582 . 1 . 1 56 56 ARG CG C 13 27.032 0.000 . 1 . . . . . 56 ARG CG . 51034 1 583 . 1 . 1 56 56 ARG CD C 13 44.055 0.002 . 1 . . . . . 56 ARG CD . 51034 1 584 . 1 . 1 56 56 ARG N N 15 120.706 0.043 . 1 . . . . . 56 ARG N . 51034 1 585 . 1 . 1 57 57 CYS H H 1 7.216 0.008 . 1 . . . . . 57 CYS HN . 51034 1 586 . 1 . 1 57 57 CYS HA H 1 5.714 0.006 . 1 . . . . . 57 CYS HA . 51034 1 587 . 1 . 1 57 57 CYS HB2 H 1 3.119 0.008 . 1 . . . . . 57 CYS HB2 . 51034 1 588 . 1 . 1 57 57 CYS HB3 H 1 2.856 0.007 . 1 . . . . . 57 CYS HB3 . 51034 1 589 . 1 . 1 57 57 CYS CA C 13 55.696 0.087 . 1 . . . . . 57 CYS CA . 51034 1 590 . 1 . 1 57 57 CYS CB C 13 33.501 0.075 . 1 . . . . . 57 CYS CB . 51034 1 591 . 1 . 1 57 57 CYS N N 15 117.576 0.028 . 1 . . . . . 57 CYS N . 51034 1 592 . 1 . 1 58 58 SER H H 1 9.350 0.009 . 1 . . . . . 58 SER HN . 51034 1 593 . 1 . 1 58 58 SER HA H 1 5.872 0.009 . 1 . . . . . 58 SER HA . 51034 1 594 . 1 . 1 58 58 SER HB2 H 1 3.949 0.014 . 2 . . . . . 58 SER HB2 . 51034 1 595 . 1 . 1 58 58 SER HB3 H 1 3.458 0.009 . 2 . . . . . 58 SER HB3 . 51034 1 596 . 1 . 1 58 58 SER CA C 13 56.180 0.044 . 1 . . . . . 58 SER CA . 51034 1 597 . 1 . 1 58 58 SER CB C 13 66.040 0.032 . 1 . . . . . 58 SER CB . 51034 1 598 . 1 . 1 58 58 SER N N 15 116.424 0.028 . 1 . . . . . 58 SER N . 51034 1 599 . 1 . 1 59 59 HIS H H 1 9.792 0.008 . 1 . . . . . 59 HIS HN . 51034 1 600 . 1 . 1 59 59 HIS HA H 1 6.280 0.006 . 1 . . . . . 59 HIS HA . 51034 1 601 . 1 . 1 59 59 HIS HB2 H 1 3.634 0.007 . 2 . . . . . 59 HIS HB2 . 51034 1 602 . 1 . 1 59 59 HIS HB3 H 1 3.317 0.009 . 2 . . . . . 59 HIS HB3 . 51034 1 603 . 1 . 1 59 59 HIS HD2 H 1 7.147 0.005 . 1 . . . . . 59 HIS HD2 . 51034 1 604 . 1 . 1 59 59 HIS HE1 H 1 7.729 0.007 . 1 . . . . . 59 HIS HE1 . 51034 1 605 . 1 . 1 59 59 HIS CA C 13 54.268 0.040 . 1 . . . . . 59 HIS CA . 51034 1 606 . 1 . 1 59 59 HIS CB C 13 37.073 0.023 . 1 . . . . . 59 HIS CB . 51034 1 607 . 1 . 1 59 59 HIS CD2 C 13 116.539 0.000 . 1 . . . . . 59 HIS CD2 . 51034 1 608 . 1 . 1 59 59 HIS CE1 C 13 136.643 0.000 . 1 . . . . . 59 HIS CE1 . 51034 1 609 . 1 . 1 59 59 HIS N N 15 119.982 0.022 . 1 . . . . . 59 HIS N . 51034 1 610 . 1 . 1 60 60 LEU H H 1 8.920 0.008 . 1 . . . . . 60 LEU HN . 51034 1 611 . 1 . 1 60 60 LEU HA H 1 3.922 0.008 . 1 . . . . . 60 LEU HA . 51034 1 612 . 1 . 1 60 60 LEU HB2 H 1 1.517 0.009 . 2 . . . . . 60 LEU HB2 . 51034 1 613 . 1 . 1 60 60 LEU HB3 H 1 1.037 0.011 . 2 . . . . . 60 LEU HB3 . 51034 1 614 . 1 . 1 60 60 LEU HG H 1 1.201 0.011 . 1 . . . . . 60 LEU HG . 51034 1 615 . 1 . 1 60 60 LEU HD11 H 1 0.147 0.004 . 1 . . . . . 60 LEU QD1 . 51034 1 616 . 1 . 1 60 60 LEU HD12 H 1 0.147 0.004 . 1 . . . . . 60 LEU QD1 . 51034 1 617 . 1 . 1 60 60 LEU HD13 H 1 0.147 0.004 . 1 . . . . . 60 LEU QD1 . 51034 1 618 . 1 . 1 60 60 LEU HD21 H 1 0.571 0.009 . 1 . . . . . 60 LEU QD2 . 51034 1 619 . 1 . 1 60 60 LEU HD22 H 1 0.571 0.009 . 1 . . . . . 60 LEU QD2 . 51034 1 620 . 1 . 1 60 60 LEU HD23 H 1 0.571 0.009 . 1 . . . . . 60 LEU QD2 . 51034 1 621 . 1 . 1 60 60 LEU CA C 13 55.873 0.017 . 1 . . . . . 60 LEU CA . 51034 1 622 . 1 . 1 60 60 LEU CB C 13 45.294 0.055 . 1 . . . . . 60 LEU CB . 51034 1 623 . 1 . 1 60 60 LEU CG C 13 30.590 0.018 . 1 . . . . . 60 LEU CG . 51034 1 624 . 1 . 1 60 60 LEU CD1 C 13 26.464 0.056 . 1 . . . . . 60 LEU CD1 . 51034 1 625 . 1 . 1 60 60 LEU CD2 C 13 24.126 0.053 . 1 . . . . . 60 LEU CD2 . 51034 1 626 . 1 . 1 60 60 LEU N N 15 125.262 0.093 . 1 . . . . . 60 LEU N . 51034 1 627 . 1 . 1 61 61 LEU H H 1 8.102 0.005 . 1 . . . . . 61 LEU HN . 51034 1 628 . 1 . 1 61 61 LEU HA H 1 4.664 0.010 . 1 . . . . . 61 LEU HA . 51034 1 629 . 1 . 1 61 61 LEU HB2 H 1 0.717 0.010 . 2 . . . . . 61 LEU HB2 . 51034 1 630 . 1 . 1 61 61 LEU HB3 H 1 1.423 0.010 . 2 . . . . . 61 LEU HB3 . 51034 1 631 . 1 . 1 61 61 LEU HG H 1 0.971 0.009 . 1 . . . . . 61 LEU HG . 51034 1 632 . 1 . 1 61 61 LEU HD11 H 1 -0.286 0.008 . 1 . . . . . 61 LEU QD1 . 51034 1 633 . 1 . 1 61 61 LEU HD12 H 1 -0.286 0.008 . 1 . . . . . 61 LEU QD1 . 51034 1 634 . 1 . 1 61 61 LEU HD13 H 1 -0.286 0.008 . 1 . . . . . 61 LEU QD1 . 51034 1 635 . 1 . 1 61 61 LEU HD21 H 1 0.675 0.010 . 1 . . . . . 61 LEU QD2 . 51034 1 636 . 1 . 1 61 61 LEU HD22 H 1 0.675 0.010 . 1 . . . . . 61 LEU QD2 . 51034 1 637 . 1 . 1 61 61 LEU HD23 H 1 0.675 0.010 . 1 . . . . . 61 LEU QD2 . 51034 1 638 . 1 . 1 61 61 LEU CA C 13 52.518 0.000 . 1 . . . . . 61 LEU CA . 51034 1 639 . 1 . 1 61 61 LEU CB C 13 45.163 0.018 . 1 . . . . . 61 LEU CB . 51034 1 640 . 1 . 1 61 61 LEU CG C 13 27.178 0.010 . 1 . . . . . 61 LEU CG . 51034 1 641 . 1 . 1 61 61 LEU CD1 C 13 19.860 0.025 . 1 . . . . . 61 LEU CD1 . 51034 1 642 . 1 . 1 61 61 LEU CD2 C 13 26.741 0.040 . 1 . . . . . 61 LEU CD2 . 51034 1 643 . 1 . 1 61 61 LEU N N 15 127.110 0.043 . 1 . . . . . 61 LEU N . 51034 1 644 . 1 . 1 62 62 VAL H H 1 9.500 0.005 . 1 . . . . . 62 VAL HN . 51034 1 645 . 1 . 1 62 62 VAL HA H 1 4.628 0.004 . 1 . . . . . 62 VAL HA . 51034 1 646 . 1 . 1 62 62 VAL HB H 1 1.815 0.007 . 1 . . . . . 62 VAL HB . 51034 1 647 . 1 . 1 62 62 VAL HG11 H 1 1.163 0.007 . 1 . . . . . 62 VAL QG1 . 51034 1 648 . 1 . 1 62 62 VAL HG12 H 1 1.163 0.007 . 1 . . . . . 62 VAL QG1 . 51034 1 649 . 1 . 1 62 62 VAL HG13 H 1 1.163 0.007 . 1 . . . . . 62 VAL QG1 . 51034 1 650 . 1 . 1 62 62 VAL HG21 H 1 0.946 0.008 . 1 . . . . . 62 VAL QG2 . 51034 1 651 . 1 . 1 62 62 VAL HG22 H 1 0.946 0.008 . 1 . . . . . 62 VAL QG2 . 51034 1 652 . 1 . 1 62 62 VAL HG23 H 1 0.946 0.008 . 1 . . . . . 62 VAL QG2 . 51034 1 653 . 1 . 1 62 62 VAL CA C 13 61.687 0.000 . 1 . . . . . 62 VAL CA . 51034 1 654 . 1 . 1 62 62 VAL CB C 13 32.998 0.077 . 1 . . . . . 62 VAL CB . 51034 1 655 . 1 . 1 62 62 VAL CG1 C 13 22.418 0.025 . 1 . . . . . 62 VAL CG1 . 51034 1 656 . 1 . 1 62 62 VAL CG2 C 13 21.604 0.047 . 1 . . . . . 62 VAL CG2 . 51034 1 657 . 1 . 1 62 62 VAL N N 15 128.272 0.039 . 1 . . . . . 62 VAL N . 51034 1 658 . 1 . 1 63 63 LYS H H 1 9.112 0.008 . 1 . . . . . 63 LYS HN . 51034 1 659 . 1 . 1 63 63 LYS HA H 1 4.129 0.015 . 1 . . . . . 63 LYS HA . 51034 1 660 . 1 . 1 63 63 LYS HB2 H 1 1.635 0.005 . 2 . . . . . 63 LYS HB2 . 51034 1 661 . 1 . 1 63 63 LYS HB3 H 1 1.636 0.007 . 2 . . . . . 63 LYS HB3 . 51034 1 662 . 1 . 1 63 63 LYS HG2 H 1 1.289 0.006 . 2 . . . . . 63 LYS QG . 51034 1 663 . 1 . 1 63 63 LYS HG3 H 1 1.289 0.006 . 2 . . . . . 63 LYS QG . 51034 1 664 . 1 . 1 63 63 LYS HD2 H 1 1.483 0.006 . 2 . . . . . 63 LYS HD2 . 51034 1 665 . 1 . 1 63 63 LYS HD3 H 1 1.931 0.008 . 2 . . . . . 63 LYS HD3 . 51034 1 666 . 1 . 1 63 63 LYS HE2 H 1 3.108 0.004 . 2 . . . . . 63 LYS HE2 . 51034 1 667 . 1 . 1 63 63 LYS HE3 H 1 3.009 0.006 . 2 . . . . . 63 LYS HE3 . 51034 1 668 . 1 . 1 63 63 LYS CA C 13 56.746 0.008 . 1 . . . . . 63 LYS CA . 51034 1 669 . 1 . 1 63 63 LYS CB C 13 36.115 0.018 . 1 . . . . . 63 LYS CB . 51034 1 670 . 1 . 1 63 63 LYS CG C 13 26.896 0.000 . 1 . . . . . 63 LYS CG . 51034 1 671 . 1 . 1 63 63 LYS CD C 13 31.808 0.000 . 1 . . . . . 63 LYS CD . 51034 1 672 . 1 . 1 63 63 LYS CE C 13 42.756 0.013 . 1 . . . . . 63 LYS CE . 51034 1 673 . 1 . 1 63 63 LYS N N 15 125.425 0.053 . 1 . . . . . 63 LYS N . 51034 1 674 . 1 . 1 64 64 HIS H H 1 8.302 0.007 . 1 . . . . . 64 HIS HN . 51034 1 675 . 1 . 1 64 64 HIS HA H 1 4.651 0.000 . 1 . . . . . 64 HIS HA . 51034 1 676 . 1 . 1 64 64 HIS HB2 H 1 3.135 0.013 . 1 . . . . . 64 HIS HB2 . 51034 1 677 . 1 . 1 64 64 HIS HB3 H 1 2.694 0.010 . 1 . . . . . 64 HIS HB3 . 51034 1 678 . 1 . 1 64 64 HIS HD2 H 1 6.487 0.010 . 1 . . . . . 64 HIS HD2 . 51034 1 679 . 1 . 1 64 64 HIS HE1 H 1 7.522 0.002 . 1 . . . . . 64 HIS HE1 . 51034 1 680 . 1 . 1 64 64 HIS CA C 13 54.800 0.000 . 1 . . . . . 64 HIS CA . 51034 1 681 . 1 . 1 64 64 HIS CB C 13 33.601 0.015 . 1 . . . . . 64 HIS CB . 51034 1 682 . 1 . 1 64 64 HIS CD2 C 13 116.208 0.000 . 1 . . . . . 64 HIS CD2 . 51034 1 683 . 1 . 1 64 64 HIS CE1 C 13 139.889 0.000 . 1 . . . . . 64 HIS CE1 . 51034 1 684 . 1 . 1 64 64 HIS N N 15 113.997 0.068 . 1 . . . . . 64 HIS N . 51034 1 685 . 1 . 1 65 65 SER H H 1 9.478 0.005 . 1 . . . . . 65 SER HN . 51034 1 686 . 1 . 1 65 65 SER HA H 1 4.084 0.004 . 1 . . . . . 65 SER HA . 51034 1 687 . 1 . 1 65 65 SER HB2 H 1 3.682 0.008 . 2 . . . . . 65 SER HB2 . 51034 1 688 . 1 . 1 65 65 SER HB3 H 1 4.121 0.006 . 2 . . . . . 65 SER HB3 . 51034 1 689 . 1 . 1 65 65 SER CA C 13 60.941 0.019 . 1 . . . . . 65 SER CA . 51034 1 690 . 1 . 1 65 65 SER CB C 13 63.135 0.034 . 1 . . . . . 65 SER CB . 51034 1 691 . 1 . 1 65 65 SER N N 15 113.749 0.031 . 1 . . . . . 65 SER N . 51034 1 692 . 1 . 1 66 66 GLN H H 1 9.153 0.006 . 1 . . . . . 66 GLN HN . 51034 1 693 . 1 . 1 66 66 GLN HA H 1 4.668 0.012 . 1 . . . . . 66 GLN HA . 51034 1 694 . 1 . 1 66 66 GLN HB2 H 1 2.621 0.009 . 2 . . . . . 66 GLN HB2 . 51034 1 695 . 1 . 1 66 66 GLN HB3 H 1 2.052 0.006 . 2 . . . . . 66 GLN HB3 . 51034 1 696 . 1 . 1 66 66 GLN HG2 H 1 2.448 0.004 . 2 . . . . . 66 GLN QG . 51034 1 697 . 1 . 1 66 66 GLN HG3 H 1 2.448 0.004 . 2 . . . . . 66 GLN QG . 51034 1 698 . 1 . 1 66 66 GLN HE21 H 1 7.607 0.007 . 1 . . . . . 66 GLN HE21 . 51034 1 699 . 1 . 1 66 66 GLN HE22 H 1 6.899 0.003 . 1 . . . . . 66 GLN HE22 . 51034 1 700 . 1 . 1 66 66 GLN CA C 13 55.129 0.001 . 1 . . . . . 66 GLN CA . 51034 1 701 . 1 . 1 66 66 GLN CB C 13 29.314 0.020 . 1 . . . . . 66 GLN CB . 51034 1 702 . 1 . 1 66 66 GLN CG C 13 34.966 0.027 . 1 . . . . . 66 GLN CG . 51034 1 703 . 1 . 1 66 66 GLN N N 15 120.388 0.039 . 1 . . . . . 66 GLN N . 51034 1 704 . 1 . 1 66 66 GLN NE2 N 15 112.495 0.056 . 1 . . . . . 66 GLN NE2 . 51034 1 705 . 1 . 1 67 67 SER H H 1 7.835 0.007 . 1 . . . . . 67 SER HN . 51034 1 706 . 1 . 1 67 67 SER HA H 1 3.835 0.010 . 1 . . . . . 67 SER HA . 51034 1 707 . 1 . 1 67 67 SER HB2 H 1 3.547 0.010 . 2 . . . . . 67 SER QB . 51034 1 708 . 1 . 1 67 67 SER HB3 H 1 3.547 0.010 . 2 . . . . . 67 SER QB . 51034 1 709 . 1 . 1 67 67 SER CA C 13 61.545 0.009 . 1 . . . . . 67 SER CA . 51034 1 710 . 1 . 1 67 67 SER CB C 13 63.821 0.015 . 1 . . . . . 67 SER CB . 51034 1 711 . 1 . 1 67 67 SER N N 15 121.238 0.028 . 1 . . . . . 67 SER N . 51034 1 712 . 1 . 1 68 68 ARG H H 1 8.246 0.008 . 1 . . . . . 68 ARG HN . 51034 1 713 . 1 . 1 68 68 ARG HA H 1 4.066 0.005 . 1 . . . . . 68 ARG HA . 51034 1 714 . 1 . 1 68 68 ARG HB2 H 1 1.793 0.010 . 2 . . . . . 68 ARG HB2 . 51034 1 715 . 1 . 1 68 68 ARG HB3 H 1 1.890 0.010 . 2 . . . . . 68 ARG HB3 . 51034 1 716 . 1 . 1 68 68 ARG HG2 H 1 1.615 0.003 . 1 . . . . . 68 ARG HG2 . 51034 1 717 . 1 . 1 68 68 ARG HG3 H 1 1.733 0.008 . 1 . . . . . 68 ARG HG3 . 51034 1 718 . 1 . 1 68 68 ARG HD2 H 1 3.166 0.006 . 1 . . . . . 68 ARG HD2 . 51034 1 719 . 1 . 1 68 68 ARG HD3 H 1 3.101 0.005 . 1 . . . . . 68 ARG HD3 . 51034 1 720 . 1 . 1 68 68 ARG CA C 13 58.883 0.031 . 1 . . . . . 68 ARG CA . 51034 1 721 . 1 . 1 68 68 ARG CB C 13 29.319 0.018 . 1 . . . . . 68 ARG CB . 51034 1 722 . 1 . 1 68 68 ARG CG C 13 26.577 0.008 . 1 . . . . . 68 ARG CG . 51034 1 723 . 1 . 1 68 68 ARG CD C 13 43.384 0.006 . 1 . . . . . 68 ARG CD . 51034 1 724 . 1 . 1 68 68 ARG N N 15 122.077 0.045 . 1 . . . . . 68 ARG N . 51034 1 725 . 1 . 1 69 69 ARG H H 1 8.350 0.008 . 1 . . . . . 69 ARG HN . 51034 1 726 . 1 . 1 69 69 ARG HA H 1 4.758 0.006 . 1 . . . . . 69 ARG HA . 51034 1 727 . 1 . 1 69 69 ARG HB2 H 1 1.718 0.005 . 2 . . . . . 69 ARG HB2 . 51034 1 728 . 1 . 1 69 69 ARG HB3 H 1 1.898 0.005 . 2 . . . . . 69 ARG HB3 . 51034 1 729 . 1 . 1 69 69 ARG HG2 H 1 1.520 0.005 . 2 . . . . . 69 ARG QG . 51034 1 730 . 1 . 1 69 69 ARG HG3 H 1 1.520 0.005 . 2 . . . . . 69 ARG QG . 51034 1 731 . 1 . 1 69 69 ARG HD2 H 1 3.214 0.004 . 2 . . . . . 69 ARG QD . 51034 1 732 . 1 . 1 69 69 ARG HD3 H 1 3.214 0.004 . 2 . . . . . 69 ARG QD . 51034 1 733 . 1 . 1 69 69 ARG CA C 13 53.036 0.000 . 1 . . . . . 69 ARG CA . 51034 1 734 . 1 . 1 69 69 ARG CB C 13 31.905 0.036 . 1 . . . . . 69 ARG CB . 51034 1 735 . 1 . 1 69 69 ARG CG C 13 27.692 0.000 . 1 . . . . . 69 ARG CG . 51034 1 736 . 1 . 1 69 69 ARG CD C 13 43.560 0.054 . 1 . . . . . 69 ARG CD . 51034 1 737 . 1 . 1 69 69 ARG N N 15 118.186 0.055 . 1 . . . . . 69 ARG N . 51034 1 738 . 1 . 1 70 70 PRO HA H 1 4.404 0.008 . 1 . . . . . 70 PRO HA . 51034 1 739 . 1 . 1 70 70 PRO HB2 H 1 2.565 0.007 . 1 . . . . . 70 PRO HB2 . 51034 1 740 . 1 . 1 70 70 PRO HB3 H 1 1.853 0.010 . 1 . . . . . 70 PRO HB3 . 51034 1 741 . 1 . 1 70 70 PRO HG2 H 1 1.995 0.008 . 2 . . . . . 70 PRO HG2 . 51034 1 742 . 1 . 1 70 70 PRO HG3 H 1 2.108 0.004 . 2 . . . . . 70 PRO HG3 . 51034 1 743 . 1 . 1 70 70 PRO HD2 H 1 3.495 0.010 . 2 . . . . . 70 PRO HD2 . 51034 1 744 . 1 . 1 70 70 PRO HD3 H 1 3.654 0.007 . 2 . . . . . 70 PRO HD3 . 51034 1 745 . 1 . 1 70 70 PRO CA C 13 62.568 0.032 . 1 . . . . . 70 PRO CA . 51034 1 746 . 1 . 1 70 70 PRO CB C 13 27.389 0.078 . 1 . . . . . 70 PRO CB . 51034 1 747 . 1 . 1 70 70 PRO CG C 13 27.029 0.012 . 1 . . . . . 70 PRO CG . 51034 1 748 . 1 . 1 70 70 PRO CD C 13 49.837 0.087 . 1 . . . . . 70 PRO CD . 51034 1 749 . 1 . 1 71 71 SER H H 1 9.097 0.005 . 1 . . . . . 71 SER HN . 51034 1 750 . 1 . 1 71 71 SER HA H 1 4.403 0.005 . 1 . . . . . 71 SER HA . 51034 1 751 . 1 . 1 71 71 SER HB2 H 1 3.735 0.006 . 1 . . . . . 71 SER HB2 . 51034 1 752 . 1 . 1 71 71 SER HB3 H 1 3.520 0.003 . 1 . . . . . 71 SER HB3 . 51034 1 753 . 1 . 1 71 71 SER CA C 13 57.943 0.030 . 1 . . . . . 71 SER CA . 51034 1 754 . 1 . 1 71 71 SER CB C 13 65.623 0.019 . 1 . . . . . 71 SER CB . 51034 1 755 . 1 . 1 71 71 SER N N 15 121.048 0.014 . 1 . . . . . 71 SER N . 51034 1 756 . 1 . 1 72 72 SER H H 1 8.961 0.004 . 1 . . . . . 72 SER HN . 51034 1 757 . 1 . 1 72 72 SER HA H 1 5.018 0.006 . 1 . . . . . 72 SER HA . 51034 1 758 . 1 . 1 72 72 SER HB2 H 1 3.805 0.000 . 2 . . . . . 72 SER HB2 . 51034 1 759 . 1 . 1 72 72 SER HB3 H 1 4.403 0.000 . 2 . . . . . 72 SER HB3 . 51034 1 760 . 1 . 1 72 72 SER CA C 13 56.797 0.031 . 1 . . . . . 72 SER CA . 51034 1 761 . 1 . 1 72 72 SER CB C 13 68.949 0.000 . 1 . . . . . 72 SER CB . 51034 1 762 . 1 . 1 72 72 SER N N 15 119.070 0.030 . 1 . . . . . 72 SER N . 51034 1 763 . 1 . 1 73 73 TRP H H 1 8.546 0.010 . 1 . . . . . 73 TRP HN . 51034 1 764 . 1 . 1 73 73 TRP HA H 1 4.350 0.005 . 1 . . . . . 73 TRP HA . 51034 1 765 . 1 . 1 73 73 TRP HB2 H 1 3.562 0.005 . 2 . . . . . 73 TRP HB2 . 51034 1 766 . 1 . 1 73 73 TRP HB3 H 1 3.156 0.006 . 2 . . . . . 73 TRP HB3 . 51034 1 767 . 1 . 1 73 73 TRP HD1 H 1 7.304 0.004 . 1 . . . . . 73 TRP HD1 . 51034 1 768 . 1 . 1 73 73 TRP HE1 H 1 9.993 0.005 . 1 . . . . . 73 TRP HE1 . 51034 1 769 . 1 . 1 73 73 TRP HE3 H 1 7.377 0.013 . 1 . . . . . 73 TRP HE3 . 51034 1 770 . 1 . 1 73 73 TRP HZ2 H 1 7.278 0.006 . 1 . . . . . 73 TRP HZ2 . 51034 1 771 . 1 . 1 73 73 TRP HZ3 H 1 7.065 0.004 . 1 . . . . . 73 TRP HZ3 . 51034 1 772 . 1 . 1 73 73 TRP HH2 H 1 7.148 0.002 . 1 . . . . . 73 TRP HH2 . 51034 1 773 . 1 . 1 73 73 TRP CA C 13 57.910 0.079 . 1 . . . . . 73 TRP CA . 51034 1 774 . 1 . 1 73 73 TRP CB C 13 27.047 0.008 . 1 . . . . . 73 TRP CB . 51034 1 775 . 1 . 1 73 73 TRP CD1 C 13 126.001 0.000 . 1 . . . . . 73 TRP CD1 . 51034 1 776 . 1 . 1 73 73 TRP CE3 C 13 120.495 0.000 . 1 . . . . . 73 TRP CE3 . 51034 1 777 . 1 . 1 73 73 TRP CZ2 C 13 115.790 0.000 . 1 . . . . . 73 TRP CZ2 . 51034 1 778 . 1 . 1 73 73 TRP CZ3 C 13 121.964 0.000 . 1 . . . . . 73 TRP CZ3 . 51034 1 779 . 1 . 1 73 73 TRP CH2 C 13 125.021 0.000 . 1 . . . . . 73 TRP CH2 . 51034 1 780 . 1 . 1 73 73 TRP N N 15 118.866 0.113 . 1 . . . . . 73 TRP N . 51034 1 781 . 1 . 1 73 73 TRP NE1 N 15 132.662 0.047 . 1 . . . . . 73 TRP NE1 . 51034 1 782 . 1 . 1 74 74 ARG H H 1 7.021 0.010 . 1 . . . . . 74 ARG HN . 51034 1 783 . 1 . 1 74 74 ARG HA H 1 3.524 0.006 . 1 . . . . . 74 ARG HA . 51034 1 784 . 1 . 1 74 74 ARG HB2 H 1 0.664 0.006 . 2 . . . . . 74 ARG HB2 . 51034 1 785 . 1 . 1 74 74 ARG HB3 H 1 0.950 0.005 . 2 . . . . . 74 ARG HB3 . 51034 1 786 . 1 . 1 74 74 ARG HG2 H 1 -0.009 0.004 . 2 . . . . . 74 ARG HG2 . 51034 1 787 . 1 . 1 74 74 ARG HG3 H 1 -0.618 0.008 . 2 . . . . . 74 ARG HG3 . 51034 1 788 . 1 . 1 74 74 ARG HD2 H 1 2.418 0.005 . 2 . . . . . 74 ARG HD2 . 51034 1 789 . 1 . 1 74 74 ARG HD3 H 1 2.624 0.002 . 2 . . . . . 74 ARG HD3 . 51034 1 790 . 1 . 1 74 74 ARG CA C 13 56.854 0.035 . 1 . . . . . 74 ARG CA . 51034 1 791 . 1 . 1 74 74 ARG CB C 13 30.277 0.033 . 1 . . . . . 74 ARG CB . 51034 1 792 . 1 . 1 74 74 ARG CG C 13 25.815 0.099 . 1 . . . . . 74 ARG CG . 51034 1 793 . 1 . 1 74 74 ARG CD C 13 42.331 0.012 . 1 . . . . . 74 ARG CD . 51034 1 794 . 1 . 1 74 74 ARG N N 15 117.797 0.020 . 1 . . . . . 74 ARG N . 51034 1 795 . 1 . 1 75 75 GLN H H 1 6.888 0.014 . 1 . . . . . 75 GLN HN . 51034 1 796 . 1 . 1 75 75 GLN HA H 1 4.248 0.003 . 1 . . . . . 75 GLN HA . 51034 1 797 . 1 . 1 75 75 GLN HB2 H 1 1.716 0.007 . 2 . . . . . 75 GLN HB2 . 51034 1 798 . 1 . 1 75 75 GLN HB3 H 1 1.646 0.001 . 2 . . . . . 75 GLN HB3 . 51034 1 799 . 1 . 1 75 75 GLN HG2 H 1 2.048 0.021 . 1 . . . . . 75 GLN HG2 . 51034 1 800 . 1 . 1 75 75 GLN HG3 H 1 2.071 0.019 . 1 . . . . . 75 GLN HG3 . 51034 1 801 . 1 . 1 75 75 GLN HE21 H 1 7.396 0.005 . 1 . . . . . 75 GLN HE21 . 51034 1 802 . 1 . 1 75 75 GLN HE22 H 1 6.503 0.006 . 1 . . . . . 75 GLN HE22 . 51034 1 803 . 1 . 1 75 75 GLN CA C 13 55.639 0.017 . 1 . . . . . 75 GLN CA . 51034 1 804 . 1 . 1 75 75 GLN CB C 13 32.166 0.000 . 1 . . . . . 75 GLN CB . 51034 1 805 . 1 . 1 75 75 GLN CG C 13 34.135 0.028 . 1 . . . . . 75 GLN CG . 51034 1 806 . 1 . 1 75 75 GLN N N 15 118.311 0.065 . 1 . . . . . 75 GLN N . 51034 1 807 . 1 . 1 75 75 GLN NE2 N 15 110.934 0.035 . 1 . . . . . 75 GLN NE2 . 51034 1 808 . 1 . 1 76 76 GLU H H 1 8.646 0.020 . 1 . . . . . 76 GLU HN . 51034 1 809 . 1 . 1 76 76 GLU HA H 1 4.017 0.006 . 1 . . . . . 76 GLU HA . 51034 1 810 . 1 . 1 76 76 GLU HB2 H 1 1.963 0.007 . 1 . . . . . 76 GLU HB2 . 51034 1 811 . 1 . 1 76 76 GLU HB3 H 1 2.035 0.006 . 1 . . . . . 76 GLU HB3 . 51034 1 812 . 1 . 1 76 76 GLU HG2 H 1 2.238 0.012 . 1 . . . . . 76 GLU HG2 . 51034 1 813 . 1 . 1 76 76 GLU HG3 H 1 2.273 0.018 . 1 . . . . . 76 GLU HG3 . 51034 1 814 . 1 . 1 76 76 GLU CA C 13 59.326 0.039 . 1 . . . . . 76 GLU CA . 51034 1 815 . 1 . 1 76 76 GLU CB C 13 29.487 0.092 . 1 . . . . . 76 GLU CB . 51034 1 816 . 1 . 1 76 76 GLU CG C 13 36.275 0.085 . 1 . . . . . 76 GLU CG . 51034 1 817 . 1 . 1 77 77 LYS H H 1 7.991 0.008 . 1 . . . . . 77 LYS HN . 51034 1 818 . 1 . 1 77 77 LYS HA H 1 4.634 0.025 . 1 . . . . . 77 LYS HA . 51034 1 819 . 1 . 1 77 77 LYS HB2 H 1 1.623 0.002 . 2 . . . . . 77 LYS HB2 . 51034 1 820 . 1 . 1 77 77 LYS HB3 H 1 1.669 0.006 . 2 . . . . . 77 LYS HB3 . 51034 1 821 . 1 . 1 77 77 LYS HG2 H 1 1.191 0.003 . 1 . . . . . 77 LYS HG2 . 51034 1 822 . 1 . 1 77 77 LYS HG3 H 1 1.331 0.009 . 1 . . . . . 77 LYS HG3 . 51034 1 823 . 1 . 1 77 77 LYS HD2 H 1 1.642 0.003 . 2 . . . . . 77 LYS QD . 51034 1 824 . 1 . 1 77 77 LYS HD3 H 1 1.642 0.003 . 2 . . . . . 77 LYS QD . 51034 1 825 . 1 . 1 77 77 LYS HE2 H 1 2.934 0.003 . 2 . . . . . 77 LYS QE . 51034 1 826 . 1 . 1 77 77 LYS HE3 H 1 2.934 0.003 . 2 . . . . . 77 LYS QE . 51034 1 827 . 1 . 1 77 77 LYS CA C 13 55.200 0.000 . 1 . . . . . 77 LYS CA . 51034 1 828 . 1 . 1 77 77 LYS CB C 13 33.999 0.026 . 1 . . . . . 77 LYS CB . 51034 1 829 . 1 . 1 77 77 LYS CG C 13 24.670 0.035 . 1 . . . . . 77 LYS CG . 51034 1 830 . 1 . 1 77 77 LYS CD C 13 29.325 0.080 . 1 . . . . . 77 LYS CD . 51034 1 831 . 1 . 1 77 77 LYS CE C 13 42.081 0.024 . 1 . . . . . 77 LYS CE . 51034 1 832 . 1 . 1 77 77 LYS N N 15 117.764 0.074 . 1 . . . . . 77 LYS N . 51034 1 833 . 1 . 1 78 78 ILE H H 1 7.804 0.009 . 1 . . . . . 78 ILE HN . 51034 1 834 . 1 . 1 78 78 ILE HA H 1 3.830 0.013 . 1 . . . . . 78 ILE HA . 51034 1 835 . 1 . 1 78 78 ILE HB H 1 1.230 0.009 . 1 . . . . . 78 ILE HB . 51034 1 836 . 1 . 1 78 78 ILE HG12 H 1 1.100 0.013 . 1 . . . . . 78 ILE HG12 . 51034 1 837 . 1 . 1 78 78 ILE HG13 H 1 1.186 0.006 . 1 . . . . . 78 ILE HG13 . 51034 1 838 . 1 . 1 78 78 ILE HG21 H 1 0.522 0.008 . 1 . . . . . 78 ILE QG2 . 51034 1 839 . 1 . 1 78 78 ILE HG22 H 1 0.522 0.008 . 1 . . . . . 78 ILE QG2 . 51034 1 840 . 1 . 1 78 78 ILE HG23 H 1 0.522 0.008 . 1 . . . . . 78 ILE QG2 . 51034 1 841 . 1 . 1 78 78 ILE HD11 H 1 0.640 0.008 . 1 . . . . . 78 ILE QD1 . 51034 1 842 . 1 . 1 78 78 ILE HD12 H 1 0.640 0.008 . 1 . . . . . 78 ILE QD1 . 51034 1 843 . 1 . 1 78 78 ILE HD13 H 1 0.640 0.008 . 1 . . . . . 78 ILE QD1 . 51034 1 844 . 1 . 1 78 78 ILE CA C 13 60.799 0.027 . 1 . . . . . 78 ILE CA . 51034 1 845 . 1 . 1 78 78 ILE CB C 13 37.331 0.023 . 1 . . . . . 78 ILE CB . 51034 1 846 . 1 . 1 78 78 ILE CG1 C 13 26.813 0.034 . 1 . . . . . 78 ILE CG1 . 51034 1 847 . 1 . 1 78 78 ILE CG2 C 13 16.387 0.038 . 1 . . . . . 78 ILE CG2 . 51034 1 848 . 1 . 1 78 78 ILE CD1 C 13 12.615 0.020 . 1 . . . . . 78 ILE CD1 . 51034 1 849 . 1 . 1 78 78 ILE N N 15 126.115 0.021 . 1 . . . . . 78 ILE N . 51034 1 850 . 1 . 1 79 79 THR H H 1 8.167 0.009 . 1 . . . . . 79 THR HN . 51034 1 851 . 1 . 1 79 79 THR HA H 1 4.339 0.008 . 1 . . . . . 79 THR HA . 51034 1 852 . 1 . 1 79 79 THR HB H 1 4.405 0.002 . 1 . . . . . 79 THR HB . 51034 1 853 . 1 . 1 79 79 THR HG21 H 1 1.040 0.006 . 1 . . . . . 79 THR QG2 . 51034 1 854 . 1 . 1 79 79 THR HG22 H 1 1.040 0.006 . 1 . . . . . 79 THR QG2 . 51034 1 855 . 1 . 1 79 79 THR HG23 H 1 1.040 0.006 . 1 . . . . . 79 THR QG2 . 51034 1 856 . 1 . 1 79 79 THR CA C 13 60.649 0.006 . 1 . . . . . 79 THR CA . 51034 1 857 . 1 . 1 79 79 THR CB C 13 69.787 0.015 . 1 . . . . . 79 THR CB . 51034 1 858 . 1 . 1 79 79 THR CG2 C 13 21.241 0.035 . 1 . . . . . 79 THR CG2 . 51034 1 859 . 1 . 1 79 79 THR N N 15 116.444 0.035 . 1 . . . . . 79 THR N . 51034 1 860 . 1 . 1 80 80 ARG H H 1 7.554 0.008 . 1 . . . . . 80 ARG HN . 51034 1 861 . 1 . 1 80 80 ARG HA H 1 4.579 0.005 . 1 . . . . . 80 ARG HA . 51034 1 862 . 1 . 1 80 80 ARG HB2 H 1 2.020 0.008 . 2 . . . . . 80 ARG HB2 . 51034 1 863 . 1 . 1 80 80 ARG HB3 H 1 1.954 0.008 . 2 . . . . . 80 ARG HB3 . 51034 1 864 . 1 . 1 80 80 ARG HG2 H 1 1.610 0.008 . 1 . . . . . 80 ARG HG2 . 51034 1 865 . 1 . 1 80 80 ARG HG3 H 1 1.465 0.015 . 1 . . . . . 80 ARG HG3 . 51034 1 866 . 1 . 1 80 80 ARG HD2 H 1 3.717 0.011 . 2 . . . . . 80 ARG HD2 . 51034 1 867 . 1 . 1 80 80 ARG HD3 H 1 2.512 0.010 . 2 . . . . . 80 ARG HD3 . 51034 1 868 . 1 . 1 80 80 ARG CA C 13 55.704 0.000 . 1 . . . . . 80 ARG CA . 51034 1 869 . 1 . 1 80 80 ARG CB C 13 30.893 0.030 . 1 . . . . . 80 ARG CB . 51034 1 870 . 1 . 1 80 80 ARG CG C 13 27.796 0.008 . 1 . . . . . 80 ARG CG . 51034 1 871 . 1 . 1 80 80 ARG CD C 13 43.495 0.066 . 1 . . . . . 80 ARG CD . 51034 1 872 . 1 . 1 80 80 ARG N N 15 123.847 0.022 . 1 . . . . . 80 ARG N . 51034 1 873 . 1 . 1 81 81 THR H H 1 8.974 0.007 . 1 . . . . . 81 THR HN . 51034 1 874 . 1 . 1 81 81 THR HA H 1 4.582 0.004 . 1 . . . . . 81 THR HA . 51034 1 875 . 1 . 1 81 81 THR HB H 1 4.773 0.009 . 1 . . . . . 81 THR HB . 51034 1 876 . 1 . 1 81 81 THR HG21 H 1 1.394 0.006 . 1 . . . . . 81 THR QG2 . 51034 1 877 . 1 . 1 81 81 THR HG22 H 1 1.394 0.006 . 1 . . . . . 81 THR QG2 . 51034 1 878 . 1 . 1 81 81 THR HG23 H 1 1.394 0.006 . 1 . . . . . 81 THR QG2 . 51034 1 879 . 1 . 1 81 81 THR CA C 13 60.843 0.080 . 1 . . . . . 81 THR CA . 51034 1 880 . 1 . 1 81 81 THR CB C 13 71.625 0.000 . 1 . . . . . 81 THR CB . 51034 1 881 . 1 . 1 81 81 THR CG2 C 13 21.979 0.023 . 1 . . . . . 81 THR CG2 . 51034 1 882 . 1 . 1 81 81 THR N N 15 113.459 0.032 . 1 . . . . . 81 THR N . 51034 1 883 . 1 . 1 82 82 LYS H H 1 8.803 0.004 . 1 . . . . . 82 LYS HN . 51034 1 884 . 1 . 1 82 82 LYS HA H 1 3.421 0.007 . 1 . . . . . 82 LYS HA . 51034 1 885 . 1 . 1 82 82 LYS HB2 H 1 1.349 0.009 . 1 . . . . . 82 LYS HB2 . 51034 1 886 . 1 . 1 82 82 LYS HB3 H 1 1.067 0.008 . 1 . . . . . 82 LYS HB3 . 51034 1 887 . 1 . 1 82 82 LYS HG2 H 1 0.777 0.008 . 1 . . . . . 82 LYS HG2 . 51034 1 888 . 1 . 1 82 82 LYS HG3 H 1 1.010 0.005 . 1 . . . . . 82 LYS HG3 . 51034 1 889 . 1 . 1 82 82 LYS HD2 H 1 1.465 0.009 . 2 . . . . . 82 LYS HD2 . 51034 1 890 . 1 . 1 82 82 LYS HD3 H 1 1.462 0.012 . 2 . . . . . 82 LYS HD3 . 51034 1 891 . 1 . 1 82 82 LYS HE2 H 1 2.787 0.006 . 2 . . . . . 82 LYS QE . 51034 1 892 . 1 . 1 82 82 LYS HE3 H 1 2.787 0.006 . 2 . . . . . 82 LYS QE . 51034 1 893 . 1 . 1 82 82 LYS CA C 13 60.357 0.031 . 1 . . . . . 82 LYS CA . 51034 1 894 . 1 . 1 82 82 LYS CB C 13 32.076 0.117 . 1 . . . . . 82 LYS CB . 51034 1 895 . 1 . 1 82 82 LYS CG C 13 24.403 0.092 . 1 . . . . . 82 LYS CG . 51034 1 896 . 1 . 1 82 82 LYS CD C 13 29.753 0.062 . 1 . . . . . 82 LYS CD . 51034 1 897 . 1 . 1 82 82 LYS CE C 13 41.710 0.033 . 1 . . . . . 82 LYS CE . 51034 1 898 . 1 . 1 82 82 LYS N N 15 122.364 0.043 . 1 . . . . . 82 LYS N . 51034 1 899 . 1 . 1 83 83 GLU H H 1 8.521 0.012 . 1 . . . . . 83 GLU HN . 51034 1 900 . 1 . 1 83 83 GLU HA H 1 3.879 0.004 . 1 . . . . . 83 GLU HA . 51034 1 901 . 1 . 1 83 83 GLU HB2 H 1 2.048 0.007 . 1 . . . . . 83 GLU HB2 . 51034 1 902 . 1 . 1 83 83 GLU HB3 H 1 1.890 0.005 . 1 . . . . . 83 GLU HB3 . 51034 1 903 . 1 . 1 83 83 GLU HG2 H 1 2.202 0.006 . 1 . . . . . 83 GLU HG2 . 51034 1 904 . 1 . 1 83 83 GLU HG3 H 1 2.432 0.007 . 1 . . . . . 83 GLU HG3 . 51034 1 905 . 1 . 1 83 83 GLU CA C 13 60.673 0.012 . 1 . . . . . 83 GLU CA . 51034 1 906 . 1 . 1 83 83 GLU CB C 13 28.460 0.045 . 1 . . . . . 83 GLU CB . 51034 1 907 . 1 . 1 83 83 GLU CG C 13 37.129 0.086 . 1 . . . . . 83 GLU CG . 51034 1 908 . 1 . 1 83 83 GLU N N 15 118.236 0.032 . 1 . . . . . 83 GLU N . 51034 1 909 . 1 . 1 84 84 GLU H H 1 7.913 0.008 . 1 . . . . . 84 GLU HN . 51034 1 910 . 1 . 1 84 84 GLU HA H 1 3.935 0.005 . 1 . . . . . 84 GLU HA . 51034 1 911 . 1 . 1 84 84 GLU HB2 H 1 1.894 0.004 . 1 . . . . . 84 GLU HB2 . 51034 1 912 . 1 . 1 84 84 GLU HB3 H 1 2.391 0.005 . 1 . . . . . 84 GLU HB3 . 51034 1 913 . 1 . 1 84 84 GLU HG2 H 1 2.242 0.012 . 1 . . . . . 84 GLU HG2 . 51034 1 914 . 1 . 1 84 84 GLU HG3 H 1 2.363 0.008 . 1 . . . . . 84 GLU HG3 . 51034 1 915 . 1 . 1 84 84 GLU CA C 13 58.852 0.023 . 1 . . . . . 84 GLU CA . 51034 1 916 . 1 . 1 84 84 GLU CB C 13 30.148 0.007 . 1 . . . . . 84 GLU CB . 51034 1 917 . 1 . 1 84 84 GLU CG C 13 37.252 0.084 . 1 . . . . . 84 GLU CG . 51034 1 918 . 1 . 1 84 84 GLU N N 15 121.637 0.013 . 1 . . . . . 84 GLU N . 51034 1 919 . 1 . 1 85 85 ALA H H 1 8.625 0.010 . 1 . . . . . 85 ALA HN . 51034 1 920 . 1 . 1 85 85 ALA HA H 1 3.975 0.009 . 1 . . . . . 85 ALA HA . 51034 1 921 . 1 . 1 85 85 ALA HB1 H 1 1.409 0.006 . 1 . . . . . 85 ALA HB# . 51034 1 922 . 1 . 1 85 85 ALA HB2 H 1 1.409 0.006 . 1 . . . . . 85 ALA HB# . 51034 1 923 . 1 . 1 85 85 ALA HB3 H 1 1.409 0.006 . 1 . . . . . 85 ALA HB# . 51034 1 924 . 1 . 1 85 85 ALA CA C 13 54.876 0.032 . 1 . . . . . 85 ALA CA . 51034 1 925 . 1 . 1 85 85 ALA CB C 13 18.697 0.041 . 1 . . . . . 85 ALA CB . 51034 1 926 . 1 . 1 85 85 ALA N N 15 121.952 0.029 . 1 . . . . . 85 ALA N . 51034 1 927 . 1 . 1 86 86 LEU H H 1 8.171 0.006 . 1 . . . . . 86 LEU HN . 51034 1 928 . 1 . 1 86 86 LEU HA H 1 3.871 0.011 . 1 . . . . . 86 LEU HA . 51034 1 929 . 1 . 1 86 86 LEU HB2 H 1 2.005 0.006 . 1 . . . . . 86 LEU HB2 . 51034 1 930 . 1 . 1 86 86 LEU HB3 H 1 1.423 0.007 . 1 . . . . . 86 LEU HB3 . 51034 1 931 . 1 . 1 86 86 LEU HG H 1 1.654 0.007 . 1 . . . . . 86 LEU HG . 51034 1 932 . 1 . 1 86 86 LEU HD11 H 1 1.002 0.005 . 1 . . . . . 86 LEU QD1 . 51034 1 933 . 1 . 1 86 86 LEU HD12 H 1 1.002 0.005 . 1 . . . . . 86 LEU QD1 . 51034 1 934 . 1 . 1 86 86 LEU HD13 H 1 1.002 0.005 . 1 . . . . . 86 LEU QD1 . 51034 1 935 . 1 . 1 86 86 LEU HD21 H 1 1.070 0.008 . 1 . . . . . 86 LEU QD2 . 51034 1 936 . 1 . 1 86 86 LEU HD22 H 1 1.070 0.008 . 1 . . . . . 86 LEU QD2 . 51034 1 937 . 1 . 1 86 86 LEU HD23 H 1 1.070 0.008 . 1 . . . . . 86 LEU QD2 . 51034 1 938 . 1 . 1 86 86 LEU CA C 13 57.395 0.026 . 1 . . . . . 86 LEU CA . 51034 1 939 . 1 . 1 86 86 LEU CB C 13 41.326 0.037 . 1 . . . . . 86 LEU CB . 51034 1 940 . 1 . 1 86 86 LEU CG C 13 26.763 0.049 . 1 . . . . . 86 LEU CG . 51034 1 941 . 1 . 1 86 86 LEU CD1 C 13 22.902 0.046 . 1 . . . . . 86 LEU CD1 . 51034 1 942 . 1 . 1 86 86 LEU CD2 C 13 25.870 0.060 . 1 . . . . . 86 LEU CD2 . 51034 1 943 . 1 . 1 86 86 LEU N N 15 120.132 0.068 . 1 . . . . . 86 LEU N . 51034 1 944 . 1 . 1 87 87 GLU H H 1 7.682 0.010 . 1 . . . . . 87 GLU HN . 51034 1 945 . 1 . 1 87 87 GLU HA H 1 4.008 0.007 . 1 . . . . . 87 GLU HA . 51034 1 946 . 1 . 1 87 87 GLU HB2 H 1 2.027 0.006 . 2 . . . . . 87 GLU HB2 . 51034 1 947 . 1 . 1 87 87 GLU HB3 H 1 2.056 0.014 . 2 . . . . . 87 GLU HB3 . 51034 1 948 . 1 . 1 87 87 GLU HG2 H 1 2.178 0.003 . 1 . . . . . 87 GLU HG2 . 51034 1 949 . 1 . 1 87 87 GLU HG3 H 1 2.317 0.004 . 1 . . . . . 87 GLU HG3 . 51034 1 950 . 1 . 1 87 87 GLU CA C 13 59.499 0.009 . 1 . . . . . 87 GLU CA . 51034 1 951 . 1 . 1 87 87 GLU CB C 13 29.154 0.057 . 1 . . . . . 87 GLU CB . 51034 1 952 . 1 . 1 87 87 GLU CG C 13 35.990 0.081 . 1 . . . . . 87 GLU CG . 51034 1 953 . 1 . 1 87 87 GLU N N 15 119.216 0.012 . 1 . . . . . 87 GLU N . 51034 1 954 . 1 . 1 88 88 LEU H H 1 7.725 0.006 . 1 . . . . . 88 LEU HN . 51034 1 955 . 1 . 1 88 88 LEU HA H 1 3.612 0.006 . 1 . . . . . 88 LEU HA . 51034 1 956 . 1 . 1 88 88 LEU HB2 H 1 1.923 0.004 . 1 . . . . . 88 LEU HB2 . 51034 1 957 . 1 . 1 88 88 LEU HB3 H 1 0.969 0.007 . 1 . . . . . 88 LEU HB3 . 51034 1 958 . 1 . 1 88 88 LEU HG H 1 1.529 0.004 . 1 . . . . . 88 LEU HG . 51034 1 959 . 1 . 1 88 88 LEU HD11 H 1 0.799 0.006 . 1 . . . . . 88 LEU QD1 . 51034 1 960 . 1 . 1 88 88 LEU HD12 H 1 0.799 0.006 . 1 . . . . . 88 LEU QD1 . 51034 1 961 . 1 . 1 88 88 LEU HD13 H 1 0.799 0.006 . 1 . . . . . 88 LEU QD1 . 51034 1 962 . 1 . 1 88 88 LEU HD21 H 1 0.634 0.004 . 1 . . . . . 88 LEU QD2 . 51034 1 963 . 1 . 1 88 88 LEU HD22 H 1 0.634 0.004 . 1 . . . . . 88 LEU QD2 . 51034 1 964 . 1 . 1 88 88 LEU HD23 H 1 0.634 0.004 . 1 . . . . . 88 LEU QD2 . 51034 1 965 . 1 . 1 88 88 LEU CA C 13 57.593 0.033 . 1 . . . . . 88 LEU CA . 51034 1 966 . 1 . 1 88 88 LEU CB C 13 41.479 0.022 . 1 . . . . . 88 LEU CB . 51034 1 967 . 1 . 1 88 88 LEU CG C 13 26.743 0.060 . 1 . . . . . 88 LEU CG . 51034 1 968 . 1 . 1 88 88 LEU CD1 C 13 25.327 0.033 . 1 . . . . . 88 LEU CD1 . 51034 1 969 . 1 . 1 88 88 LEU CD2 C 13 22.624 0.053 . 1 . . . . . 88 LEU CD2 . 51034 1 970 . 1 . 1 88 88 LEU N N 15 121.134 0.018 . 1 . . . . . 88 LEU N . 51034 1 971 . 1 . 1 89 89 ILE H H 1 8.033 0.006 . 1 . . . . . 89 ILE HN . 51034 1 972 . 1 . 1 89 89 ILE HA H 1 3.632 0.006 . 1 . . . . . 89 ILE HA . 51034 1 973 . 1 . 1 89 89 ILE HB H 1 2.293 0.006 . 1 . . . . . 89 ILE HB . 51034 1 974 . 1 . 1 89 89 ILE HG12 H 1 1.512 0.005 . 2 . . . . . 89 ILE HG12 . 51034 1 975 . 1 . 1 89 89 ILE HG13 H 1 1.183 0.009 . 2 . . . . . 89 ILE HG13 . 51034 1 976 . 1 . 1 89 89 ILE HG21 H 1 0.776 0.006 . 1 . . . . . 89 ILE QG2 . 51034 1 977 . 1 . 1 89 89 ILE HG22 H 1 0.776 0.006 . 1 . . . . . 89 ILE QG2 . 51034 1 978 . 1 . 1 89 89 ILE HG23 H 1 0.776 0.006 . 1 . . . . . 89 ILE QG2 . 51034 1 979 . 1 . 1 89 89 ILE HD11 H 1 0.714 0.005 . 1 . . . . . 89 ILE QD1 . 51034 1 980 . 1 . 1 89 89 ILE HD12 H 1 0.714 0.005 . 1 . . . . . 89 ILE QD1 . 51034 1 981 . 1 . 1 89 89 ILE HD13 H 1 0.714 0.005 . 1 . . . . . 89 ILE QD1 . 51034 1 982 . 1 . 1 89 89 ILE CA C 13 62.436 0.050 . 1 . . . . . 89 ILE CA . 51034 1 983 . 1 . 1 89 89 ILE CB C 13 35.320 0.053 . 1 . . . . . 89 ILE CB . 51034 1 984 . 1 . 1 89 89 ILE CG1 C 13 27.224 0.052 . 1 . . . . . 89 ILE CG1 . 51034 1 985 . 1 . 1 89 89 ILE CG2 C 13 16.435 0.010 . 1 . . . . . 89 ILE CG2 . 51034 1 986 . 1 . 1 89 89 ILE CD1 C 13 10.464 0.026 . 1 . . . . . 89 ILE CD1 . 51034 1 987 . 1 . 1 89 89 ILE N N 15 120.144 0.022 . 1 . . . . . 89 ILE N . 51034 1 988 . 1 . 1 90 90 ASN H H 1 8.717 0.008 . 1 . . . . . 90 ASN HN . 51034 1 989 . 1 . 1 90 90 ASN HA H 1 4.505 0.005 . 1 . . . . . 90 ASN HA . 51034 1 990 . 1 . 1 90 90 ASN HB2 H 1 2.765 0.006 . 1 . . . . . 90 ASN HB2 . 51034 1 991 . 1 . 1 90 90 ASN HB3 H 1 2.637 0.006 . 1 . . . . . 90 ASN HB3 . 51034 1 992 . 1 . 1 90 90 ASN HD21 H 1 6.550 0.004 . 1 . . . . . 90 ASN HD21 . 51034 1 993 . 1 . 1 90 90 ASN HD22 H 1 7.275 0.007 . 1 . . . . . 90 ASN HD22 . 51034 1 994 . 1 . 1 90 90 ASN CA C 13 55.927 0.044 . 1 . . . . . 90 ASN CA . 51034 1 995 . 1 . 1 90 90 ASN CB C 13 37.611 0.039 . 1 . . . . . 90 ASN CB . 51034 1 996 . 1 . 1 90 90 ASN N N 15 118.864 0.018 . 1 . . . . . 90 ASN N . 51034 1 997 . 1 . 1 90 90 ASN ND2 N 15 109.712 0.035 . 1 . . . . . 90 ASN ND2 . 51034 1 998 . 1 . 1 91 91 GLY H H 1 7.927 0.014 . 1 . . . . . 91 GLY HN . 51034 1 999 . 1 . 1 91 91 GLY HA2 H 1 3.837 0.010 . 2 . . . . . 91 GLY QA . 51034 1 1000 . 1 . 1 91 91 GLY HA3 H 1 3.837 0.010 . 2 . . . . . 91 GLY QA . 51034 1 1001 . 1 . 1 91 91 GLY CA C 13 46.965 0.022 . 1 . . . . . 91 GLY CA . 51034 1 1002 . 1 . 1 91 91 GLY N N 15 109.941 0.027 . 1 . . . . . 91 GLY N . 51034 1 1003 . 1 . 1 92 92 TYR H H 1 8.085 0.007 . 1 . . . . . 92 TYR HN . 51034 1 1004 . 1 . 1 92 92 TYR HA H 1 4.402 0.008 . 1 . . . . . 92 TYR HA . 51034 1 1005 . 1 . 1 92 92 TYR HB2 H 1 3.146 0.010 . 1 . . . . . 92 TYR HB2 . 51034 1 1006 . 1 . 1 92 92 TYR HB3 H 1 2.846 0.009 . 1 . . . . . 92 TYR HB3 . 51034 1 1007 . 1 . 1 92 92 TYR HD1 H 1 6.624 0.015 . 3 . . . . . 92 TYR QD . 51034 1 1008 . 1 . 1 92 92 TYR HD2 H 1 6.624 0.015 . 3 . . . . . 92 TYR QD . 51034 1 1009 . 1 . 1 92 92 TYR HE1 H 1 6.146 0.010 . 3 . . . . . 92 TYR QE . 51034 1 1010 . 1 . 1 92 92 TYR HE2 H 1 6.146 0.010 . 3 . . . . . 92 TYR QE . 51034 1 1011 . 1 . 1 92 92 TYR CA C 13 58.397 0.036 . 1 . . . . . 92 TYR CA . 51034 1 1012 . 1 . 1 92 92 TYR CB C 13 35.948 0.037 . 1 . . . . . 92 TYR CB . 51034 1 1013 . 1 . 1 92 92 TYR CD2 C 13 131.298 0.000 . 3 . . . . . 92 TYR CD2 . 51034 1 1014 . 1 . 1 92 92 TYR CE2 C 13 117.231 0.000 . 3 . . . . . 92 TYR CE2 . 51034 1 1015 . 1 . 1 92 92 TYR N N 15 123.007 0.052 . 1 . . . . . 92 TYR N . 51034 1 1016 . 1 . 1 93 93 ILE H H 1 8.635 0.009 . 1 . . . . . 93 ILE HN . 51034 1 1017 . 1 . 1 93 93 ILE HA H 1 3.516 0.006 . 1 . . . . . 93 ILE HA . 51034 1 1018 . 1 . 1 93 93 ILE HB H 1 2.066 0.008 . 1 . . . . . 93 ILE HB . 51034 1 1019 . 1 . 1 93 93 ILE HG12 H 1 2.096 0.008 . 1 . . . . . 93 ILE HG12 . 51034 1 1020 . 1 . 1 93 93 ILE HG13 H 1 0.992 0.004 . 1 . . . . . 93 ILE HG13 . 51034 1 1021 . 1 . 1 93 93 ILE HG21 H 1 0.983 0.006 . 1 . . . . . 93 ILE QG2 . 51034 1 1022 . 1 . 1 93 93 ILE HG22 H 1 0.983 0.006 . 1 . . . . . 93 ILE QG2 . 51034 1 1023 . 1 . 1 93 93 ILE HG23 H 1 0.983 0.006 . 1 . . . . . 93 ILE QG2 . 51034 1 1024 . 1 . 1 93 93 ILE HD11 H 1 0.991 0.005 . 1 . . . . . 93 ILE QD1 . 51034 1 1025 . 1 . 1 93 93 ILE HD12 H 1 0.991 0.005 . 1 . . . . . 93 ILE QD1 . 51034 1 1026 . 1 . 1 93 93 ILE HD13 H 1 0.991 0.005 . 1 . . . . . 93 ILE QD1 . 51034 1 1027 . 1 . 1 93 93 ILE CA C 13 67.020 0.014 . 1 . . . . . 93 ILE CA . 51034 1 1028 . 1 . 1 93 93 ILE CB C 13 38.127 0.054 . 1 . . . . . 93 ILE CB . 51034 1 1029 . 1 . 1 93 93 ILE CG1 C 13 30.636 0.054 . 1 . . . . . 93 ILE CG1 . 51034 1 1030 . 1 . 1 93 93 ILE CG2 C 13 17.170 0.037 . 1 . . . . . 93 ILE CG2 . 51034 1 1031 . 1 . 1 93 93 ILE CD1 C 13 14.113 0.024 . 1 . . . . . 93 ILE CD1 . 51034 1 1032 . 1 . 1 93 93 ILE N N 15 118.891 0.013 . 1 . . . . . 93 ILE N . 51034 1 1033 . 1 . 1 94 94 GLN H H 1 7.786 0.007 . 1 . . . . . 94 GLN HN . 51034 1 1034 . 1 . 1 94 94 GLN HA H 1 4.042 0.009 . 1 . . . . . 94 GLN HA . 51034 1 1035 . 1 . 1 94 94 GLN HB2 H 1 2.255 0.012 . 2 . . . . . 94 GLN HB2 . 51034 1 1036 . 1 . 1 94 94 GLN HB3 H 1 2.210 0.006 . 2 . . . . . 94 GLN HB3 . 51034 1 1037 . 1 . 1 94 94 GLN HG2 H 1 2.494 0.008 . 2 . . . . . 94 GLN QG . 51034 1 1038 . 1 . 1 94 94 GLN HG3 H 1 2.494 0.008 . 2 . . . . . 94 GLN QG . 51034 1 1039 . 1 . 1 94 94 GLN HE21 H 1 6.863 0.006 . 1 . . . . . 94 GLN HE21 . 51034 1 1040 . 1 . 1 94 94 GLN HE22 H 1 7.448 0.004 . 1 . . . . . 94 GLN HE22 . 51034 1 1041 . 1 . 1 94 94 GLN CA C 13 59.098 0.035 . 1 . . . . . 94 GLN CA . 51034 1 1042 . 1 . 1 94 94 GLN CB C 13 27.790 0.036 . 1 . . . . . 94 GLN CB . 51034 1 1043 . 1 . 1 94 94 GLN CG C 13 33.515 0.064 . 1 . . . . . 94 GLN CG . 51034 1 1044 . 1 . 1 94 94 GLN N N 15 117.527 0.018 . 1 . . . . . 94 GLN N . 51034 1 1045 . 1 . 1 94 94 GLN NE2 N 15 111.965 0.060 . 1 . . . . . 94 GLN NE2 . 51034 1 1046 . 1 . 1 95 95 LYS H H 1 8.054 0.006 . 1 . . . . . 95 LYS HN . 51034 1 1047 . 1 . 1 95 95 LYS HA H 1 4.085 0.007 . 1 . . . . . 95 LYS HA . 51034 1 1048 . 1 . 1 95 95 LYS HB2 H 1 2.117 0.009 . 1 . . . . . 95 LYS HB2 . 51034 1 1049 . 1 . 1 95 95 LYS HB3 H 1 1.662 0.004 . 1 . . . . . 95 LYS HB3 . 51034 1 1050 . 1 . 1 95 95 LYS HG2 H 1 1.720 0.003 . 1 . . . . . 95 LYS HG2 . 51034 1 1051 . 1 . 1 95 95 LYS HG3 H 1 1.554 0.005 . 1 . . . . . 95 LYS HG3 . 51034 1 1052 . 1 . 1 95 95 LYS HD2 H 1 1.708 0.007 . 1 . . . . . 95 LYS HD2 . 51034 1 1053 . 1 . 1 95 95 LYS HD3 H 1 1.562 0.006 . 1 . . . . . 95 LYS HD3 . 51034 1 1054 . 1 . 1 95 95 LYS HE2 H 1 2.969 0.006 . 2 . . . . . 95 LYS QE . 51034 1 1055 . 1 . 1 95 95 LYS HE3 H 1 2.969 0.006 . 2 . . . . . 95 LYS QE . 51034 1 1056 . 1 . 1 95 95 LYS CA C 13 59.604 0.060 . 1 . . . . . 95 LYS CA . 51034 1 1057 . 1 . 1 95 95 LYS CB C 13 33.522 0.031 . 1 . . . . . 95 LYS CB . 51034 1 1058 . 1 . 1 95 95 LYS CG C 13 25.853 0.038 . 1 . . . . . 95 LYS CG . 51034 1 1059 . 1 . 1 95 95 LYS CD C 13 29.859 0.074 . 1 . . . . . 95 LYS CD . 51034 1 1060 . 1 . 1 95 95 LYS CE C 13 42.145 0.062 . 1 . . . . . 95 LYS CE . 51034 1 1061 . 1 . 1 95 95 LYS N N 15 120.155 0.019 . 1 . . . . . 95 LYS N . 51034 1 1062 . 1 . 1 96 96 ILE H H 1 8.149 0.006 . 1 . . . . . 96 ILE HN . 51034 1 1063 . 1 . 1 96 96 ILE HA H 1 4.301 0.008 . 1 . . . . . 96 ILE HA . 51034 1 1064 . 1 . 1 96 96 ILE HB H 1 1.820 0.009 . 1 . . . . . 96 ILE HB . 51034 1 1065 . 1 . 1 96 96 ILE HG12 H 1 0.654 0.005 . 1 . . . . . 96 ILE HG12 . 51034 1 1066 . 1 . 1 96 96 ILE HG13 H 1 1.812 0.006 . 1 . . . . . 96 ILE HG13 . 51034 1 1067 . 1 . 1 96 96 ILE HG21 H 1 1.119 0.005 . 1 . . . . . 96 ILE QG2 . 51034 1 1068 . 1 . 1 96 96 ILE HG22 H 1 1.119 0.005 . 1 . . . . . 96 ILE QG2 . 51034 1 1069 . 1 . 1 96 96 ILE HG23 H 1 1.119 0.005 . 1 . . . . . 96 ILE QG2 . 51034 1 1070 . 1 . 1 96 96 ILE HD11 H 1 0.818 0.005 . 1 . . . . . 96 ILE QD1 . 51034 1 1071 . 1 . 1 96 96 ILE HD12 H 1 0.818 0.005 . 1 . . . . . 96 ILE QD1 . 51034 1 1072 . 1 . 1 96 96 ILE HD13 H 1 0.818 0.005 . 1 . . . . . 96 ILE QD1 . 51034 1 1073 . 1 . 1 96 96 ILE CA C 13 63.862 0.044 . 1 . . . . . 96 ILE CA . 51034 1 1074 . 1 . 1 96 96 ILE CB C 13 39.041 0.055 . 1 . . . . . 96 ILE CB . 51034 1 1075 . 1 . 1 96 96 ILE CG1 C 13 29.363 0.019 . 1 . . . . . 96 ILE CG1 . 51034 1 1076 . 1 . 1 96 96 ILE CG2 C 13 18.174 0.021 . 1 . . . . . 96 ILE CG2 . 51034 1 1077 . 1 . 1 96 96 ILE CD1 C 13 14.774 0.021 . 1 . . . . . 96 ILE CD1 . 51034 1 1078 . 1 . 1 96 96 ILE N N 15 119.915 0.014 . 1 . . . . . 96 ILE N . 51034 1 1079 . 1 . 1 97 97 LYS H H 1 9.049 0.005 . 1 . . . . . 97 LYS HN . 51034 1 1080 . 1 . 1 97 97 LYS HA H 1 4.097 0.008 . 1 . . . . . 97 LYS HA . 51034 1 1081 . 1 . 1 97 97 LYS HB2 H 1 1.886 0.004 . 1 . . . . . 97 LYS HB2 . 51034 1 1082 . 1 . 1 97 97 LYS HB3 H 1 1.941 0.007 . 1 . . . . . 97 LYS HB3 . 51034 1 1083 . 1 . 1 97 97 LYS HG2 H 1 1.729 0.005 . 1 . . . . . 97 LYS HG2 . 51034 1 1084 . 1 . 1 97 97 LYS HG3 H 1 1.498 0.005 . 1 . . . . . 97 LYS HG3 . 51034 1 1085 . 1 . 1 97 97 LYS HD2 H 1 1.691 0.005 . 1 . . . . . 97 LYS QD . 51034 1 1086 . 1 . 1 97 97 LYS HD3 H 1 1.691 0.005 . 1 . . . . . 97 LYS QD . 51034 1 1087 . 1 . 1 97 97 LYS HE2 H 1 2.976 0.006 . 2 . . . . . 97 LYS QE . 51034 1 1088 . 1 . 1 97 97 LYS HE3 H 1 2.976 0.006 . 2 . . . . . 97 LYS QE . 51034 1 1089 . 1 . 1 97 97 LYS CA C 13 59.878 0.087 . 1 . . . . . 97 LYS CA . 51034 1 1090 . 1 . 1 97 97 LYS CB C 13 32.270 0.023 . 1 . . . . . 97 LYS CB . 51034 1 1091 . 1 . 1 97 97 LYS CG C 13 26.227 0.064 . 1 . . . . . 97 LYS CG . 51034 1 1092 . 1 . 1 97 97 LYS CD C 13 29.359 0.032 . 1 . . . . . 97 LYS CD . 51034 1 1093 . 1 . 1 97 97 LYS CE C 13 42.026 0.017 . 1 . . . . . 97 LYS CE . 51034 1 1094 . 1 . 1 97 97 LYS N N 15 120.900 0.033 . 1 . . . . . 97 LYS N . 51034 1 1095 . 1 . 1 98 98 SER H H 1 8.136 0.006 . 1 . . . . . 98 SER HN . 51034 1 1096 . 1 . 1 98 98 SER HA H 1 4.425 0.004 . 1 . . . . . 98 SER HA . 51034 1 1097 . 1 . 1 98 98 SER HB2 H 1 4.126 0.008 . 2 . . . . . 98 SER HB2 . 51034 1 1098 . 1 . 1 98 98 SER HB3 H 1 4.056 0.005 . 2 . . . . . 98 SER HB3 . 51034 1 1099 . 1 . 1 98 98 SER CA C 13 59.202 0.038 . 1 . . . . . 98 SER CA . 51034 1 1100 . 1 . 1 98 98 SER CB C 13 63.931 0.058 . 1 . . . . . 98 SER CB . 51034 1 1101 . 1 . 1 98 98 SER N N 15 111.401 0.032 . 1 . . . . . 98 SER N . 51034 1 1102 . 1 . 1 99 99 GLY H H 1 7.801 0.004 . 1 . . . . . 99 GLY HN . 51034 1 1103 . 1 . 1 99 99 GLY HA2 H 1 4.234 0.008 . 2 . . . . . 99 GLY HA1 . 51034 1 1104 . 1 . 1 99 99 GLY HA3 H 1 3.900 0.006 . 2 . . . . . 99 GLY HA2 . 51034 1 1105 . 1 . 1 99 99 GLY CA C 13 45.340 0.012 . 1 . . . . . 99 GLY CA . 51034 1 1106 . 1 . 1 99 99 GLY N N 15 110.176 0.096 . 1 . . . . . 99 GLY N . 51034 1 1107 . 1 . 1 100 100 GLU H H 1 8.244 0.003 . 1 . . . . . 100 GLU HN . 51034 1 1108 . 1 . 1 100 100 GLU HA H 1 4.021 0.004 . 1 . . . . . 100 GLU HA . 51034 1 1109 . 1 . 1 100 100 GLU HB2 H 1 2.040 0.005 . 2 . . . . . 100 GLU QB . 51034 1 1110 . 1 . 1 100 100 GLU HB3 H 1 2.040 0.005 . 2 . . . . . 100 GLU QB . 51034 1 1111 . 1 . 1 100 100 GLU HG2 H 1 2.367 0.005 . 2 . . . . . 100 GLU QG . 51034 1 1112 . 1 . 1 100 100 GLU HG3 H 1 2.367 0.005 . 2 . . . . . 100 GLU QG . 51034 1 1113 . 1 . 1 100 100 GLU CA C 13 58.824 0.105 . 1 . . . . . 100 GLU CA . 51034 1 1114 . 1 . 1 100 100 GLU CB C 13 30.890 0.032 . 1 . . . . . 100 GLU CB . 51034 1 1115 . 1 . 1 100 100 GLU CG C 13 36.910 0.010 . 1 . . . . . 100 GLU CG . 51034 1 1116 . 1 . 1 100 100 GLU N N 15 121.741 0.027 . 1 . . . . . 100 GLU N . 51034 1 1117 . 1 . 1 101 101 GLU H H 1 7.376 0.006 . 1 . . . . . 101 GLU HN . 51034 1 1118 . 1 . 1 101 101 GLU HA H 1 4.617 0.004 . 1 . . . . . 101 GLU HA . 51034 1 1119 . 1 . 1 101 101 GLU HB2 H 1 1.961 0.005 . 1 . . . . . 101 GLU HB2 . 51034 1 1120 . 1 . 1 101 101 GLU HB3 H 1 1.374 0.009 . 1 . . . . . 101 GLU HB3 . 51034 1 1121 . 1 . 1 101 101 GLU HG2 H 1 2.238 0.008 . 2 . . . . . 101 GLU QG . 51034 1 1122 . 1 . 1 101 101 GLU HG3 H 1 2.238 0.008 . 2 . . . . . 101 GLU QG . 51034 1 1123 . 1 . 1 101 101 GLU CA C 13 54.191 0.008 . 1 . . . . . 101 GLU CA . 51034 1 1124 . 1 . 1 101 101 GLU CB C 13 34.150 0.029 . 1 . . . . . 101 GLU CB . 51034 1 1125 . 1 . 1 101 101 GLU CG C 13 35.621 0.018 . 1 . . . . . 101 GLU CG . 51034 1 1126 . 1 . 1 101 101 GLU N N 15 114.298 0.035 . 1 . . . . . 101 GLU N . 51034 1 1127 . 1 . 1 102 102 ASP H H 1 8.328 0.007 . 1 . . . . . 102 ASP HN . 51034 1 1128 . 1 . 1 102 102 ASP HA H 1 4.874 0.009 . 1 . . . . . 102 ASP HA . 51034 1 1129 . 1 . 1 102 102 ASP HB2 H 1 2.948 0.005 . 2 . . . . . 102 ASP HB2 . 51034 1 1130 . 1 . 1 102 102 ASP HB3 H 1 2.697 0.008 . 2 . . . . . 102 ASP HB3 . 51034 1 1131 . 1 . 1 102 102 ASP CA C 13 52.360 0.000 . 1 . . . . . 102 ASP CA . 51034 1 1132 . 1 . 1 102 102 ASP CB C 13 42.849 0.048 . 1 . . . . . 102 ASP CB . 51034 1 1133 . 1 . 1 102 102 ASP N N 15 118.587 0.038 . 1 . . . . . 102 ASP N . 51034 1 1134 . 1 . 1 103 103 PHE H H 1 9.084 0.008 . 1 . . . . . 103 PHE HN . 51034 1 1135 . 1 . 1 103 103 PHE HA H 1 3.624 0.004 . 1 . . . . . 103 PHE HA . 51034 1 1136 . 1 . 1 103 103 PHE HB2 H 1 3.121 0.005 . 2 . . . . . 103 PHE HB2 . 51034 1 1137 . 1 . 1 103 103 PHE HB3 H 1 3.044 0.007 . 2 . . . . . 103 PHE HB3 . 51034 1 1138 . 1 . 1 103 103 PHE HD1 H 1 7.037 0.015 . 3 . . . . . 103 PHE QD . 51034 1 1139 . 1 . 1 103 103 PHE HD2 H 1 7.037 0.015 . 3 . . . . . 103 PHE QD . 51034 1 1140 . 1 . 1 103 103 PHE HE1 H 1 6.921 0.014 . 3 . . . . . 103 PHE QE . 51034 1 1141 . 1 . 1 103 103 PHE HE2 H 1 6.921 0.014 . 3 . . . . . 103 PHE QE . 51034 1 1142 . 1 . 1 103 103 PHE CA C 13 62.614 0.030 . 1 . . . . . 103 PHE CA . 51034 1 1143 . 1 . 1 103 103 PHE CB C 13 40.066 0.035 . 1 . . . . . 103 PHE CB . 51034 1 1144 . 1 . 1 103 103 PHE CD1 C 13 132.008 0.000 . 3 . . . . . 103 PHE CD1 . 51034 1 1145 . 1 . 1 103 103 PHE CE1 C 13 130.137 0.000 . 3 . . . . . 103 PHE CE1 . 51034 1 1146 . 1 . 1 103 103 PHE N N 15 122.180 0.032 . 1 . . . . . 103 PHE N . 51034 1 1147 . 1 . 1 104 104 GLU H H 1 8.983 0.007 . 1 . . . . . 104 GLU HN . 51034 1 1148 . 1 . 1 104 104 GLU HA H 1 3.816 0.004 . 1 . . . . . 104 GLU HA . 51034 1 1149 . 1 . 1 104 104 GLU HB2 H 1 2.224 0.004 . 1 . . . . . 104 GLU HB2 . 51034 1 1150 . 1 . 1 104 104 GLU HB3 H 1 2.007 0.006 . 1 . . . . . 104 GLU HB3 . 51034 1 1151 . 1 . 1 104 104 GLU HG2 H 1 2.651 0.004 . 1 . . . . . 104 GLU HG2 . 51034 1 1152 . 1 . 1 104 104 GLU HG3 H 1 2.608 0.005 . 1 . . . . . 104 GLU HG3 . 51034 1 1153 . 1 . 1 104 104 GLU CA C 13 60.493 0.057 . 1 . . . . . 104 GLU CA . 51034 1 1154 . 1 . 1 104 104 GLU CB C 13 29.642 0.036 . 1 . . . . . 104 GLU CB . 51034 1 1155 . 1 . 1 104 104 GLU CG C 13 37.678 0.068 . 1 . . . . . 104 GLU CG . 51034 1 1156 . 1 . 1 104 104 GLU N N 15 116.606 0.021 . 1 . . . . . 104 GLU N . 51034 1 1157 . 1 . 1 105 105 SER H H 1 8.054 0.008 . 1 . . . . . 105 SER HN . 51034 1 1158 . 1 . 1 105 105 SER HA H 1 4.134 0.006 . 1 . . . . . 105 SER HA . 51034 1 1159 . 1 . 1 105 105 SER HB2 H 1 3.993 0.006 . 1 . . . . . 105 SER HB2 . 51034 1 1160 . 1 . 1 105 105 SER HB3 H 1 3.924 0.003 . 1 . . . . . 105 SER HB3 . 51034 1 1161 . 1 . 1 105 105 SER CA C 13 61.262 0.023 . 1 . . . . . 105 SER CA . 51034 1 1162 . 1 . 1 105 105 SER CB C 13 62.615 0.023 . 1 . . . . . 105 SER CB . 51034 1 1163 . 1 . 1 105 105 SER N N 15 115.939 0.038 . 1 . . . . . 105 SER N . 51034 1 1164 . 1 . 1 106 106 LEU H H 1 7.659 0.010 . 1 . . . . . 106 LEU HN . 51034 1 1165 . 1 . 1 106 106 LEU HA H 1 3.972 0.009 . 1 . . . . . 106 LEU HA . 51034 1 1166 . 1 . 1 106 106 LEU HB2 H 1 1.473 0.010 . 1 . . . . . 106 LEU HB2 . 51034 1 1167 . 1 . 1 106 106 LEU HB3 H 1 0.714 0.005 . 1 . . . . . 106 LEU HB3 . 51034 1 1168 . 1 . 1 106 106 LEU HG H 1 1.583 0.006 . 1 . . . . . 106 LEU HG . 51034 1 1169 . 1 . 1 106 106 LEU HD11 H 1 0.658 0.009 . 1 . . . . . 106 LEU QD1 . 51034 1 1170 . 1 . 1 106 106 LEU HD12 H 1 0.658 0.009 . 1 . . . . . 106 LEU QD1 . 51034 1 1171 . 1 . 1 106 106 LEU HD13 H 1 0.658 0.009 . 1 . . . . . 106 LEU QD1 . 51034 1 1172 . 1 . 1 106 106 LEU HD21 H 1 0.727 0.009 . 1 . . . . . 106 LEU QD2 . 51034 1 1173 . 1 . 1 106 106 LEU HD22 H 1 0.727 0.009 . 1 . . . . . 106 LEU QD2 . 51034 1 1174 . 1 . 1 106 106 LEU HD23 H 1 0.727 0.009 . 1 . . . . . 106 LEU QD2 . 51034 1 1175 . 1 . 1 106 106 LEU CA C 13 57.354 0.049 . 1 . . . . . 106 LEU CA . 51034 1 1176 . 1 . 1 106 106 LEU CB C 13 41.571 0.039 . 1 . . . . . 106 LEU CB . 51034 1 1177 . 1 . 1 106 106 LEU CG C 13 26.120 0.008 . 1 . . . . . 106 LEU CG . 51034 1 1178 . 1 . 1 106 106 LEU CD1 C 13 26.586 0.051 . 1 . . . . . 106 LEU CD1 . 51034 1 1179 . 1 . 1 106 106 LEU CD2 C 13 23.251 0.049 . 1 . . . . . 106 LEU CD2 . 51034 1 1180 . 1 . 1 106 106 LEU N N 15 120.818 0.021 . 1 . . . . . 106 LEU N . 51034 1 1181 . 1 . 1 107 107 ALA H H 1 8.777 0.010 . 1 . . . . . 107 ALA HN . 51034 1 1182 . 1 . 1 107 107 ALA HA H 1 3.623 0.008 . 1 . . . . . 107 ALA HA . 51034 1 1183 . 1 . 1 107 107 ALA HB1 H 1 0.997 0.007 . 1 . . . . . 107 ALA HB# . 51034 1 1184 . 1 . 1 107 107 ALA HB2 H 1 0.997 0.007 . 1 . . . . . 107 ALA HB# . 51034 1 1185 . 1 . 1 107 107 ALA HB3 H 1 0.997 0.007 . 1 . . . . . 107 ALA HB# . 51034 1 1186 . 1 . 1 107 107 ALA CA C 13 55.421 0.021 . 1 . . . . . 107 ALA CA . 51034 1 1187 . 1 . 1 107 107 ALA CB C 13 16.739 0.011 . 1 . . . . . 107 ALA CB . 51034 1 1188 . 1 . 1 107 107 ALA N N 15 122.513 0.037 . 1 . . . . . 107 ALA N . 51034 1 1189 . 1 . 1 108 108 SER H H 1 7.679 0.006 . 1 . . . . . 108 SER HN . 51034 1 1190 . 1 . 1 108 108 SER HA H 1 4.500 0.004 . 1 . . . . . 108 SER HA . 51034 1 1191 . 1 . 1 108 108 SER HB2 H 1 3.931 0.007 . 2 . . . . . 108 SER HB2 . 51034 1 1192 . 1 . 1 108 108 SER HB3 H 1 3.846 0.007 . 2 . . . . . 108 SER HB3 . 51034 1 1193 . 1 . 1 108 108 SER CA C 13 60.700 0.092 . 1 . . . . . 108 SER CA . 51034 1 1194 . 1 . 1 108 108 SER CB C 13 63.679 0.055 . 1 . . . . . 108 SER CB . 51034 1 1195 . 1 . 1 108 108 SER N N 15 108.444 0.042 . 1 . . . . . 108 SER N . 51034 1 1196 . 1 . 1 109 109 GLN H H 1 6.855 0.010 . 1 . . . . . 109 GLN HN . 51034 1 1197 . 1 . 1 109 109 GLN HA H 1 4.141 0.005 . 1 . . . . . 109 GLN HA . 51034 1 1198 . 1 . 1 109 109 GLN HB2 H 1 1.077 0.006 . 2 . . . . . 109 GLN HB2 . 51034 1 1199 . 1 . 1 109 109 GLN HB3 H 1 0.768 0.013 . 2 . . . . . 109 GLN HB3 . 51034 1 1200 . 1 . 1 109 109 GLN HG2 H 1 1.631 0.003 . 1 . . . . . 109 GLN HG2 . 51034 1 1201 . 1 . 1 109 109 GLN HG3 H 1 2.101 0.004 . 1 . . . . . 109 GLN HG3 . 51034 1 1202 . 1 . 1 109 109 GLN HE21 H 1 6.717 0.010 . 1 . . . . . 109 GLN HE21 . 51034 1 1203 . 1 . 1 109 109 GLN HE22 H 1 6.936 0.006 . 1 . . . . . 109 GLN HE22 . 51034 1 1204 . 1 . 1 109 109 GLN CA C 13 57.435 0.016 . 1 . . . . . 109 GLN CA . 51034 1 1205 . 1 . 1 109 109 GLN CB C 13 31.183 0.028 . 1 . . . . . 109 GLN CB . 51034 1 1206 . 1 . 1 109 109 GLN CG C 13 34.582 0.021 . 1 . . . . . 109 GLN CG . 51034 1 1207 . 1 . 1 109 109 GLN N N 15 115.065 0.024 . 1 . . . . . 109 GLN N . 51034 1 1208 . 1 . 1 109 109 GLN NE2 N 15 111.049 0.056 . 1 . . . . . 109 GLN NE2 . 51034 1 1209 . 1 . 1 110 110 PHE H H 1 8.114 0.005 . 1 . . . . . 110 PHE HN . 51034 1 1210 . 1 . 1 110 110 PHE HA H 1 4.735 0.001 . 1 . . . . . 110 PHE HA . 51034 1 1211 . 1 . 1 110 110 PHE HB2 H 1 3.350 0.008 . 1 . . . . . 110 PHE HB2 . 51034 1 1212 . 1 . 1 110 110 PHE HB3 H 1 2.128 0.008 . 1 . . . . . 110 PHE HB3 . 51034 1 1213 . 1 . 1 110 110 PHE HD1 H 1 6.963 0.017 . 3 . . . . . 110 PHE QD . 51034 1 1214 . 1 . 1 110 110 PHE HD2 H 1 6.963 0.017 . 3 . . . . . 110 PHE QD . 51034 1 1215 . 1 . 1 110 110 PHE HE1 H 1 7.181 0.002 . 3 . . . . . 110 PHE QE . 51034 1 1216 . 1 . 1 110 110 PHE HE2 H 1 7.181 0.002 . 3 . . . . . 110 PHE QE . 51034 1 1217 . 1 . 1 110 110 PHE HZ H 1 7.196 0.016 . 1 . . . . . 110 PHE HZ . 51034 1 1218 . 1 . 1 110 110 PHE CA C 13 57.469 0.000 . 1 . . . . . 110 PHE CA . 51034 1 1219 . 1 . 1 110 110 PHE CB C 13 41.169 0.014 . 1 . . . . . 110 PHE CB . 51034 1 1220 . 1 . 1 110 110 PHE CD2 C 13 131.895 0.000 . 3 . . . . . 110 PHE CD2 . 51034 1 1221 . 1 . 1 110 110 PHE CE1 C 13 130.712 0.000 . 3 . . . . . 110 PHE CE1 . 51034 1 1222 . 1 . 1 110 110 PHE CZ C 13 129.754 0.000 . 1 . . . . . 110 PHE CZ . 51034 1 1223 . 1 . 1 110 110 PHE N N 15 112.556 0.027 . 1 . . . . . 110 PHE N . 51034 1 1224 . 1 . 1 111 111 SER H H 1 7.828 0.006 . 1 . . . . . 111 SER HN . 51034 1 1225 . 1 . 1 111 111 SER HA H 1 4.716 0.015 . 1 . . . . . 111 SER HA . 51034 1 1226 . 1 . 1 111 111 SER HB2 H 1 4.512 0.001 . 2 . . . . . 111 SER HB2 . 51034 1 1227 . 1 . 1 111 111 SER HB3 H 1 3.915 0.001 . 2 . . . . . 111 SER HB3 . 51034 1 1228 . 1 . 1 111 111 SER CA C 13 57.212 0.000 . 1 . . . . . 111 SER CA . 51034 1 1229 . 1 . 1 111 111 SER CB C 13 65.968 0.000 . 1 . . . . . 111 SER CB . 51034 1 1230 . 1 . 1 111 111 SER N N 15 111.321 0.036 . 1 . . . . . 111 SER N . 51034 1 1231 . 1 . 1 112 112 ASP H H 1 9.917 0.008 . 1 . . . . . 112 ASP HN . 51034 1 1232 . 1 . 1 112 112 ASP HA H 1 4.536 0.012 . 1 . . . . . 112 ASP HA . 51034 1 1233 . 1 . 1 112 112 ASP HB2 H 1 2.719 0.010 . 1 . . . . . 112 ASP HB2 . 51034 1 1234 . 1 . 1 112 112 ASP HB3 H 1 2.198 0.010 . 1 . . . . . 112 ASP HB3 . 51034 1 1235 . 1 . 1 112 112 ASP CA C 13 56.317 0.000 . 1 . . . . . 112 ASP CA . 51034 1 1236 . 1 . 1 112 112 ASP CB C 13 43.479 0.034 . 1 . . . . . 112 ASP CB . 51034 1 1237 . 1 . 1 112 112 ASP N N 15 124.699 0.061 . 1 . . . . . 112 ASP N . 51034 1 1238 . 1 . 1 113 113 CYS H H 1 8.115 0.006 . 1 . . . . . 113 CYS HN . 51034 1 1239 . 1 . 1 113 113 CYS HA H 1 4.536 0.004 . 1 . . . . . 113 CYS HA . 51034 1 1240 . 1 . 1 113 113 CYS HB2 H 1 2.779 0.006 . 1 . . . . . 113 CYS HB2 . 51034 1 1241 . 1 . 1 113 113 CYS HB3 H 1 2.525 0.006 . 1 . . . . . 113 CYS HB3 . 51034 1 1242 . 1 . 1 113 113 CYS CA C 13 59.789 0.039 . 1 . . . . . 113 CYS CA . 51034 1 1243 . 1 . 1 113 113 CYS CB C 13 29.259 0.037 . 1 . . . . . 113 CYS CB . 51034 1 1244 . 1 . 1 113 113 CYS N N 15 123.214 0.034 . 1 . . . . . 113 CYS N . 51034 1 1245 . 1 . 1 114 114 SER H H 1 8.869 0.006 . 1 . . . . . 114 SER HN . 51034 1 1246 . 1 . 1 114 114 SER HA H 1 4.077 0.007 . 1 . . . . . 114 SER HA . 51034 1 1247 . 1 . 1 114 114 SER HB2 H 1 4.032 0.003 . 2 . . . . . 114 SER QB . 51034 1 1248 . 1 . 1 114 114 SER HB3 H 1 4.032 0.003 . 2 . . . . . 114 SER QB . 51034 1 1249 . 1 . 1 114 114 SER CA C 13 62.373 0.000 . 1 . . . . . 114 SER CA . 51034 1 1250 . 1 . 1 114 114 SER CB C 13 62.451 0.051 . 1 . . . . . 114 SER CB . 51034 1 1251 . 1 . 1 114 114 SER N N 15 127.344 0.023 . 1 . . . . . 114 SER N . 51034 1 1252 . 1 . 1 115 115 SER H H 1 9.809 0.005 . 1 . . . . . 115 SER HN . 51034 1 1253 . 1 . 1 115 115 SER HA H 1 4.234 0.005 . 1 . . . . . 115 SER HA . 51034 1 1254 . 1 . 1 115 115 SER HB2 H 1 3.999 0.006 . 2 . . . . . 115 SER QB . 51034 1 1255 . 1 . 1 115 115 SER HB3 H 1 3.999 0.006 . 2 . . . . . 115 SER QB . 51034 1 1256 . 1 . 1 115 115 SER CA C 13 61.267 0.006 . 1 . . . . . 115 SER CA . 51034 1 1257 . 1 . 1 115 115 SER CB C 13 62.924 0.009 . 1 . . . . . 115 SER CB . 51034 1 1258 . 1 . 1 115 115 SER N N 15 123.437 0.046 . 1 . . . . . 115 SER N . 51034 1 1259 . 1 . 1 116 116 ALA H H 1 8.558 0.010 . 1 . . . . . 116 ALA HN . 51034 1 1260 . 1 . 1 116 116 ALA HA H 1 3.785 0.006 . 1 . . . . . 116 ALA HA . 51034 1 1261 . 1 . 1 116 116 ALA HB1 H 1 1.728 0.009 . 1 . . . . . 116 ALA HB# . 51034 1 1262 . 1 . 1 116 116 ALA HB2 H 1 1.728 0.009 . 1 . . . . . 116 ALA HB# . 51034 1 1263 . 1 . 1 116 116 ALA HB3 H 1 1.728 0.009 . 1 . . . . . 116 ALA HB# . 51034 1 1264 . 1 . 1 116 116 ALA CA C 13 56.524 0.027 . 1 . . . . . 116 ALA CA . 51034 1 1265 . 1 . 1 116 116 ALA CB C 13 20.205 0.021 . 1 . . . . . 116 ALA CB . 51034 1 1266 . 1 . 1 116 116 ALA N N 15 132.188 0.071 . 1 . . . . . 116 ALA N . 51034 1 1267 . 1 . 1 117 117 LYS H H 1 7.042 0.007 . 1 . . . . . 117 LYS HN . 51034 1 1268 . 1 . 1 117 117 LYS HA H 1 3.967 0.005 . 1 . . . . . 117 LYS HA . 51034 1 1269 . 1 . 1 117 117 LYS HB2 H 1 1.733 0.006 . 1 . . . . . 117 LYS HB2 . 51034 1 1270 . 1 . 1 117 117 LYS HB3 H 1 1.654 0.005 . 1 . . . . . 117 LYS HB3 . 51034 1 1271 . 1 . 1 117 117 LYS HG2 H 1 1.167 0.005 . 1 . . . . . 117 LYS HG2 . 51034 1 1272 . 1 . 1 117 117 LYS HG3 H 1 1.225 0.008 . 1 . . . . . 117 LYS HG3 . 51034 1 1273 . 1 . 1 117 117 LYS HD2 H 1 1.422 0.010 . 1 . . . . . 117 LYS QD . 51034 1 1274 . 1 . 1 117 117 LYS HD3 H 1 1.422 0.010 . 1 . . . . . 117 LYS QD . 51034 1 1275 . 1 . 1 117 117 LYS HE2 H 1 2.455 0.005 . 1 . . . . . 117 LYS HE2 . 51034 1 1276 . 1 . 1 117 117 LYS HE3 H 1 2.639 0.004 . 1 . . . . . 117 LYS HE3 . 51034 1 1277 . 1 . 1 117 117 LYS CA C 13 57.529 0.026 . 1 . . . . . 117 LYS CA . 51034 1 1278 . 1 . 1 117 117 LYS CB C 13 31.512 0.017 . 1 . . . . . 117 LYS CB . 51034 1 1279 . 1 . 1 117 117 LYS CG C 13 24.547 0.023 . 1 . . . . . 117 LYS CG . 51034 1 1280 . 1 . 1 117 117 LYS CD C 13 28.484 0.029 . 1 . . . . . 117 LYS CD . 51034 1 1281 . 1 . 1 117 117 LYS CE C 13 41.812 0.020 . 1 . . . . . 117 LYS CE . 51034 1 1282 . 1 . 1 117 117 LYS N N 15 113.870 0.027 . 1 . . . . . 117 LYS N . 51034 1 1283 . 1 . 1 118 118 ALA H H 1 7.727 0.009 . 1 . . . . . 118 ALA HN . 51034 1 1284 . 1 . 1 118 118 ALA HA H 1 4.686 0.016 . 1 . . . . . 118 ALA HA . 51034 1 1285 . 1 . 1 118 118 ALA HB1 H 1 1.464 0.002 . 1 . . . . . 118 ALA HB# . 51034 1 1286 . 1 . 1 118 118 ALA HB2 H 1 1.464 0.002 . 1 . . . . . 118 ALA HB# . 51034 1 1287 . 1 . 1 118 118 ALA HB3 H 1 1.464 0.002 . 1 . . . . . 118 ALA HB# . 51034 1 1288 . 1 . 1 118 118 ALA CA C 13 50.694 0.000 . 1 . . . . . 118 ALA CA . 51034 1 1289 . 1 . 1 118 118 ALA CB C 13 18.398 0.026 . 1 . . . . . 118 ALA CB . 51034 1 1290 . 1 . 1 118 118 ALA N N 15 124.233 0.029 . 1 . . . . . 118 ALA N . 51034 1 1291 . 1 . 1 119 119 ARG H H 1 8.060 0.005 . 1 . . . . . 119 ARG HN . 51034 1 1292 . 1 . 1 119 119 ARG HA H 1 3.687 0.006 . 1 . . . . . 119 ARG HA . 51034 1 1293 . 1 . 1 119 119 ARG HB2 H 1 2.026 0.006 . 1 . . . . . 119 ARG HB2 . 51034 1 1294 . 1 . 1 119 119 ARG HB3 H 1 2.140 0.006 . 1 . . . . . 119 ARG HB3 . 51034 1 1295 . 1 . 1 119 119 ARG HG2 H 1 1.508 0.010 . 2 . . . . . 119 ARG HG2 . 51034 1 1296 . 1 . 1 119 119 ARG HG3 H 1 1.507 0.009 . 2 . . . . . 119 ARG HG3 . 51034 1 1297 . 1 . 1 119 119 ARG HD2 H 1 3.152 0.011 . 1 . . . . . 119 ARG HD2 . 51034 1 1298 . 1 . 1 119 119 ARG HD3 H 1 3.175 0.020 . 1 . . . . . 119 ARG HD3 . 51034 1 1299 . 1 . 1 119 119 ARG CA C 13 57.626 0.029 . 1 . . . . . 119 ARG CA . 51034 1 1300 . 1 . 1 119 119 ARG CB C 13 26.791 0.012 . 1 . . . . . 119 ARG CB . 51034 1 1301 . 1 . 1 119 119 ARG CG C 13 27.392 0.006 . 1 . . . . . 119 ARG CG . 51034 1 1302 . 1 . 1 119 119 ARG CD C 13 43.499 0.015 . 1 . . . . . 119 ARG CD . 51034 1 1303 . 1 . 1 119 119 ARG N N 15 115.178 0.029 . 1 . . . . . 119 ARG N . 51034 1 1304 . 1 . 1 120 120 GLY H H 1 8.313 0.010 . 1 . . . . . 120 GLY HN . 51034 1 1305 . 1 . 1 120 120 GLY HA2 H 1 4.408 0.014 . 2 . . . . . 120 GLY HA1 . 51034 1 1306 . 1 . 1 120 120 GLY HA3 H 1 3.778 0.005 . 2 . . . . . 120 GLY HA2 . 51034 1 1307 . 1 . 1 120 120 GLY CA C 13 44.743 0.006 . 1 . . . . . 120 GLY CA . 51034 1 1308 . 1 . 1 120 120 GLY N N 15 103.327 0.042 . 1 . . . . . 120 GLY N . 51034 1 1309 . 1 . 1 121 121 ASP H H 1 7.151 0.006 . 1 . . . . . 121 ASP HN . 51034 1 1310 . 1 . 1 121 121 ASP HA H 1 4.770 0.012 . 1 . . . . . 121 ASP HA . 51034 1 1311 . 1 . 1 121 121 ASP HB2 H 1 2.825 0.006 . 2 . . . . . 121 ASP QB . 51034 1 1312 . 1 . 1 121 121 ASP HB3 H 1 2.825 0.006 . 2 . . . . . 121 ASP QB . 51034 1 1313 . 1 . 1 121 121 ASP CA C 13 55.924 0.000 . 1 . . . . . 121 ASP CA . 51034 1 1314 . 1 . 1 121 121 ASP CB C 13 42.034 0.019 . 1 . . . . . 121 ASP CB . 51034 1 1315 . 1 . 1 121 121 ASP N N 15 118.663 0.022 . 1 . . . . . 121 ASP N . 51034 1 1316 . 1 . 1 122 122 LEU H H 1 8.754 0.006 . 1 . . . . . 122 LEU HN . 51034 1 1317 . 1 . 1 122 122 LEU HA H 1 4.458 0.009 . 1 . . . . . 122 LEU HA . 51034 1 1318 . 1 . 1 122 122 LEU HB2 H 1 1.921 0.011 . 2 . . . . . 122 LEU HB2 . 51034 1 1319 . 1 . 1 122 122 LEU HB3 H 1 1.438 0.005 . 2 . . . . . 122 LEU HB3 . 51034 1 1320 . 1 . 1 122 122 LEU HG H 1 1.700 0.005 . 1 . . . . . 122 LEU HG . 51034 1 1321 . 1 . 1 122 122 LEU HD11 H 1 0.141 0.005 . 1 . . . . . 122 LEU QD1 . 51034 1 1322 . 1 . 1 122 122 LEU HD12 H 1 0.141 0.005 . 1 . . . . . 122 LEU QD1 . 51034 1 1323 . 1 . 1 122 122 LEU HD13 H 1 0.141 0.005 . 1 . . . . . 122 LEU QD1 . 51034 1 1324 . 1 . 1 122 122 LEU HD21 H 1 0.627 0.005 . 1 . . . . . 122 LEU QD2 . 51034 1 1325 . 1 . 1 122 122 LEU HD22 H 1 0.627 0.005 . 1 . . . . . 122 LEU QD2 . 51034 1 1326 . 1 . 1 122 122 LEU HD23 H 1 0.627 0.005 . 1 . . . . . 122 LEU QD2 . 51034 1 1327 . 1 . 1 122 122 LEU CA C 13 54.353 0.068 . 1 . . . . . 122 LEU CA . 51034 1 1328 . 1 . 1 122 122 LEU CB C 13 44.038 0.034 . 1 . . . . . 122 LEU CB . 51034 1 1329 . 1 . 1 122 122 LEU CG C 13 26.117 0.033 . 1 . . . . . 122 LEU CG . 51034 1 1330 . 1 . 1 122 122 LEU CD1 C 13 26.184 0.022 . 1 . . . . . 122 LEU CD1 . 51034 1 1331 . 1 . 1 122 122 LEU CD2 C 13 22.465 0.048 . 1 . . . . . 122 LEU CD2 . 51034 1 1332 . 1 . 1 122 122 LEU N N 15 125.699 0.035 . 1 . . . . . 122 LEU N . 51034 1 1333 . 1 . 1 123 123 GLY H H 1 8.280 0.010 . 1 . . . . . 123 GLY HN . 51034 1 1334 . 1 . 1 123 123 GLY HA2 H 1 4.247 0.003 . 1 . . . . . 123 GLY HA1 . 51034 1 1335 . 1 . 1 123 123 GLY HA3 H 1 3.585 0.006 . 1 . . . . . 123 GLY HA2 . 51034 1 1336 . 1 . 1 123 123 GLY CA C 13 44.573 0.021 . 1 . . . . . 123 GLY CA . 51034 1 1337 . 1 . 1 123 123 GLY N N 15 108.838 0.052 . 1 . . . . . 123 GLY N . 51034 1 1338 . 1 . 1 124 124 ALA H H 1 8.094 0.007 . 1 . . . . . 124 ALA HN . 51034 1 1339 . 1 . 1 124 124 ALA HA H 1 5.275 0.006 . 1 . . . . . 124 ALA HA . 51034 1 1340 . 1 . 1 124 124 ALA HB1 H 1 1.126 0.003 . 1 . . . . . 124 ALA HB# . 51034 1 1341 . 1 . 1 124 124 ALA HB2 H 1 1.126 0.003 . 1 . . . . . 124 ALA HB# . 51034 1 1342 . 1 . 1 124 124 ALA HB3 H 1 1.126 0.003 . 1 . . . . . 124 ALA HB# . 51034 1 1343 . 1 . 1 124 124 ALA CA C 13 50.302 0.013 . 1 . . . . . 124 ALA CA . 51034 1 1344 . 1 . 1 124 124 ALA CB C 13 20.200 0.023 . 1 . . . . . 124 ALA CB . 51034 1 1345 . 1 . 1 124 124 ALA N N 15 119.179 0.010 . 1 . . . . . 124 ALA N . 51034 1 1346 . 1 . 1 125 125 PHE H H 1 8.902 0.005 . 1 . . . . . 125 PHE HN . 51034 1 1347 . 1 . 1 125 125 PHE HA H 1 5.060 0.006 . 1 . . . . . 125 PHE HA . 51034 1 1348 . 1 . 1 125 125 PHE HB2 H 1 3.152 0.008 . 2 . . . . . 125 PHE QB . 51034 1 1349 . 1 . 1 125 125 PHE HB3 H 1 3.152 0.008 . 2 . . . . . 125 PHE QB . 51034 1 1350 . 1 . 1 125 125 PHE HD1 H 1 7.222 0.006 . 3 . . . . . 125 PHE QD . 51034 1 1351 . 1 . 1 125 125 PHE HD2 H 1 7.222 0.006 . 3 . . . . . 125 PHE QD . 51034 1 1352 . 1 . 1 125 125 PHE HE1 H 1 7.297 0.023 . 3 . . . . . 125 PHE QE . 51034 1 1353 . 1 . 1 125 125 PHE HE2 H 1 7.297 0.023 . 3 . . . . . 125 PHE QE . 51034 1 1354 . 1 . 1 125 125 PHE HZ H 1 7.136 0.008 . 1 . . . . . 125 PHE HZ . 51034 1 1355 . 1 . 1 125 125 PHE CA C 13 55.986 0.028 . 1 . . . . . 125 PHE CA . 51034 1 1356 . 1 . 1 125 125 PHE CB C 13 40.855 0.011 . 1 . . . . . 125 PHE CB . 51034 1 1357 . 1 . 1 125 125 PHE CD2 C 13 134.068 0.000 . 3 . . . . . 125 PHE CD2 . 51034 1 1358 . 1 . 1 125 125 PHE CE1 C 13 129.838 0.000 . 3 . . . . . 125 PHE CE1 . 51034 1 1359 . 1 . 1 125 125 PHE CZ C 13 129.640 0.000 . 1 . . . . . 125 PHE CZ . 51034 1 1360 . 1 . 1 125 125 PHE N N 15 117.757 0.019 . 1 . . . . . 125 PHE N . 51034 1 1361 . 1 . 1 126 126 SER H H 1 8.459 0.006 . 1 . . . . . 126 SER HN . 51034 1 1362 . 1 . 1 126 126 SER HA H 1 5.357 0.007 . 1 . . . . . 126 SER HA . 51034 1 1363 . 1 . 1 126 126 SER HB2 H 1 4.068 0.006 . 2 . . . . . 126 SER HB2 . 51034 1 1364 . 1 . 1 126 126 SER HB3 H 1 3.976 0.003 . 2 . . . . . 126 SER HB3 . 51034 1 1365 . 1 . 1 126 126 SER CA C 13 56.526 0.016 . 1 . . . . . 126 SER CA . 51034 1 1366 . 1 . 1 126 126 SER CB C 13 66.462 0.043 . 1 . . . . . 126 SER CB . 51034 1 1367 . 1 . 1 126 126 SER N N 15 113.821 0.041 . 1 . . . . . 126 SER N . 51034 1 1368 . 1 . 1 127 127 ARG H H 1 8.905 0.008 . 1 . . . . . 127 ARG HN . 51034 1 1369 . 1 . 1 127 127 ARG HA H 1 3.936 0.008 . 1 . . . . . 127 ARG HA . 51034 1 1370 . 1 . 1 127 127 ARG HB2 H 1 1.590 0.016 . 1 . . . . . 127 ARG HB2 . 51034 1 1371 . 1 . 1 127 127 ARG HB3 H 1 1.524 0.014 . 1 . . . . . 127 ARG HB3 . 51034 1 1372 . 1 . 1 127 127 ARG HG2 H 1 0.604 0.012 . 1 . . . . . 127 ARG HG2 . 51034 1 1373 . 1 . 1 127 127 ARG HG3 H 1 1.046 0.013 . 1 . . . . . 127 ARG HG3 . 51034 1 1374 . 1 . 1 127 127 ARG HD2 H 1 2.716 0.011 . 1 . . . . . 127 ARG HD2 . 51034 1 1375 . 1 . 1 127 127 ARG HD3 H 1 2.676 0.013 . 1 . . . . . 127 ARG HD3 . 51034 1 1376 . 1 . 1 127 127 ARG CA C 13 58.693 0.033 . 1 . . . . . 127 ARG CA . 51034 1 1377 . 1 . 1 127 127 ARG CB C 13 29.882 0.002 . 1 . . . . . 127 ARG CB . 51034 1 1378 . 1 . 1 127 127 ARG CG C 13 29.056 0.087 . 1 . . . . . 127 ARG CG . 51034 1 1379 . 1 . 1 127 127 ARG CD C 13 43.337 0.032 . 1 . . . . . 127 ARG CD . 51034 1 1380 . 1 . 1 127 127 ARG N N 15 121.344 0.025 . 1 . . . . . 127 ARG N . 51034 1 1381 . 1 . 1 128 128 GLY H H 1 10.261 0.007 . 1 . . . . . 128 GLY HN . 51034 1 1382 . 1 . 1 128 128 GLY HA2 H 1 4.340 0.010 . 2 . . . . . 128 GLY HA1 . 51034 1 1383 . 1 . 1 128 128 GLY HA3 H 1 3.781 0.005 . 2 . . . . . 128 GLY HA2 . 51034 1 1384 . 1 . 1 128 128 GLY CA C 13 45.172 0.025 . 1 . . . . . 128 GLY CA . 51034 1 1385 . 1 . 1 128 128 GLY N N 15 112.527 0.036 . 1 . . . . . 128 GLY N . 51034 1 1386 . 1 . 1 129 129 GLN H H 1 7.841 0.006 . 1 . . . . . 129 GLN HN . 51034 1 1387 . 1 . 1 129 129 GLN HA H 1 4.417 0.005 . 1 . . . . . 129 GLN HA . 51034 1 1388 . 1 . 1 129 129 GLN HB2 H 1 2.285 0.007 . 2 . . . . . 129 GLN HB2 . 51034 1 1389 . 1 . 1 129 129 GLN HB3 H 1 2.111 0.005 . 2 . . . . . 129 GLN HB3 . 51034 1 1390 . 1 . 1 129 129 GLN HG2 H 1 2.371 0.006 . 1 . . . . . 129 GLN HG2 . 51034 1 1391 . 1 . 1 129 129 GLN HG3 H 1 2.304 0.005 . 1 . . . . . 129 GLN HG3 . 51034 1 1392 . 1 . 1 129 129 GLN HE21 H 1 6.987 0.012 . 1 . . . . . 129 GLN HE21 . 51034 1 1393 . 1 . 1 129 129 GLN HE22 H 1 7.553 0.009 . 1 . . . . . 129 GLN HE22 . 51034 1 1394 . 1 . 1 129 129 GLN CA C 13 57.876 0.023 . 1 . . . . . 129 GLN CA . 51034 1 1395 . 1 . 1 129 129 GLN CB C 13 31.824 0.023 . 1 . . . . . 129 GLN CB . 51034 1 1396 . 1 . 1 129 129 GLN CG C 13 34.874 0.025 . 1 . . . . . 129 GLN CG . 51034 1 1397 . 1 . 1 129 129 GLN N N 15 118.852 0.015 . 1 . . . . . 129 GLN N . 51034 1 1398 . 1 . 1 129 129 GLN NE2 N 15 112.132 0.044 . 1 . . . . . 129 GLN NE2 . 51034 1 1399 . 1 . 1 130 130 MET H H 1 9.088 0.010 . 1 . . . . . 130 MET HN . 51034 1 1400 . 1 . 1 130 130 MET HA H 1 4.566 0.007 . 1 . . . . . 130 MET HA . 51034 1 1401 . 1 . 1 130 130 MET HB2 H 1 1.805 0.003 . 1 . . . . . 130 MET HB2 . 51034 1 1402 . 1 . 1 130 130 MET HB3 H 1 1.682 0.002 . 1 . . . . . 130 MET HB3 . 51034 1 1403 . 1 . 1 130 130 MET HG2 H 1 1.201 0.007 . 2 . . . . . 130 MET QG . 51034 1 1404 . 1 . 1 130 130 MET HG3 H 1 1.201 0.007 . 2 . . . . . 130 MET QG . 51034 1 1405 . 1 . 1 130 130 MET HE1 H 1 1.189 0.004 . 1 . . . . . 130 MET HE# . 51034 1 1406 . 1 . 1 130 130 MET HE2 H 1 1.189 0.004 . 1 . . . . . 130 MET HE# . 51034 1 1407 . 1 . 1 130 130 MET HE3 H 1 1.189 0.004 . 1 . . . . . 130 MET HE# . 51034 1 1408 . 1 . 1 130 130 MET CA C 13 51.972 0.030 . 1 . . . . . 130 MET CA . 51034 1 1409 . 1 . 1 130 130 MET CB C 13 33.356 0.000 . 1 . . . . . 130 MET CB . 51034 1 1410 . 1 . 1 130 130 MET CG C 13 32.812 0.022 . 1 . . . . . 130 MET CG . 51034 1 1411 . 1 . 1 130 130 MET CE C 13 17.596 0.013 . 1 . . . . . 130 MET CE . 51034 1 1412 . 1 . 1 130 130 MET N N 15 118.141 0.017 . 1 . . . . . 130 MET N . 51034 1 1413 . 1 . 1 131 131 GLN H H 1 8.445 0.006 . 1 . . . . . 131 GLN HN . 51034 1 1414 . 1 . 1 131 131 GLN HA H 1 4.190 0.005 . 1 . . . . . 131 GLN HA . 51034 1 1415 . 1 . 1 131 131 GLN HB2 H 1 2.288 0.005 . 1 . . . . . 131 GLN HB2 . 51034 1 1416 . 1 . 1 131 131 GLN HB3 H 1 1.931 0.005 . 1 . . . . . 131 GLN HB3 . 51034 1 1417 . 1 . 1 131 131 GLN HG2 H 1 2.542 0.004 . 2 . . . . . 131 GLN QG . 51034 1 1418 . 1 . 1 131 131 GLN HG3 H 1 2.542 0.004 . 2 . . . . . 131 GLN QG . 51034 1 1419 . 1 . 1 131 131 GLN HE21 H 1 7.026 0.007 . 1 . . . . . 131 GLN HE21 . 51034 1 1420 . 1 . 1 131 131 GLN HE22 H 1 7.560 0.013 . 1 . . . . . 131 GLN HE22 . 51034 1 1421 . 1 . 1 131 131 GLN CA C 13 57.023 0.071 . 1 . . . . . 131 GLN CA . 51034 1 1422 . 1 . 1 131 131 GLN CB C 13 30.084 0.035 . 1 . . . . . 131 GLN CB . 51034 1 1423 . 1 . 1 131 131 GLN CG C 13 34.857 0.018 . 1 . . . . . 131 GLN CG . 51034 1 1424 . 1 . 1 131 131 GLN N N 15 118.430 0.024 . 1 . . . . . 131 GLN N . 51034 1 1425 . 1 . 1 131 131 GLN NE2 N 15 112.015 0.072 . 1 . . . . . 131 GLN NE2 . 51034 1 1426 . 1 . 1 132 132 LYS H H 1 9.170 0.005 . 1 . . . . . 132 LYS HN . 51034 1 1427 . 1 . 1 132 132 LYS HA H 1 4.196 0.004 . 1 . . . . . 132 LYS HA . 51034 1 1428 . 1 . 1 132 132 LYS HB2 H 1 1.936 0.010 . 1 . . . . . 132 LYS HB2 . 51034 1 1429 . 1 . 1 132 132 LYS HB3 H 1 2.062 0.005 . 1 . . . . . 132 LYS HB3 . 51034 1 1430 . 1 . 1 132 132 LYS HG2 H 1 1.459 0.008 . 2 . . . . . 132 LYS HG2 . 51034 1 1431 . 1 . 1 132 132 LYS HG3 H 1 1.516 0.003 . 2 . . . . . 132 LYS HG3 . 51034 1 1432 . 1 . 1 132 132 LYS HD2 H 1 1.625 0.005 . 1 . . . . . 132 LYS HD2 . 51034 1 1433 . 1 . 1 132 132 LYS HD3 H 1 1.776 0.003 . 1 . . . . . 132 LYS HD3 . 51034 1 1434 . 1 . 1 132 132 LYS HE2 H 1 3.059 0.011 . 1 . . . . . 132 LYS HE2 . 51034 1 1435 . 1 . 1 132 132 LYS HE3 H 1 3.032 0.009 . 1 . . . . . 132 LYS HE3 . 51034 1 1436 . 1 . 1 132 132 LYS CA C 13 61.083 0.023 . 1 . . . . . 132 LYS CA . 51034 1 1437 . 1 . 1 132 132 LYS CB C 13 30.084 0.017 . 1 . . . . . 132 LYS CB . 51034 1 1438 . 1 . 1 132 132 LYS CG C 13 24.549 0.012 . 1 . . . . . 132 LYS CG . 51034 1 1439 . 1 . 1 132 132 LYS CD C 13 28.387 0.026 . 1 . . . . . 132 LYS CD . 51034 1 1440 . 1 . 1 132 132 LYS CE C 13 42.299 0.037 . 1 . . . . . 132 LYS CE . 51034 1 1441 . 1 . 1 132 132 LYS N N 15 126.153 0.035 . 1 . . . . . 132 LYS N . 51034 1 1442 . 1 . 1 133 133 PRO HA H 1 4.534 0.004 . 1 . . . . . 133 PRO HA . 51034 1 1443 . 1 . 1 133 133 PRO HB2 H 1 2.563 0.004 . 1 . . . . . 133 PRO HB2 . 51034 1 1444 . 1 . 1 133 133 PRO HB3 H 1 1.787 0.008 . 1 . . . . . 133 PRO HB3 . 51034 1 1445 . 1 . 1 133 133 PRO HG2 H 1 2.259 0.007 . 2 . . . . . 133 PRO QG . 51034 1 1446 . 1 . 1 133 133 PRO HG3 H 1 2.259 0.007 . 2 . . . . . 133 PRO QG . 51034 1 1447 . 1 . 1 133 133 PRO HD2 H 1 3.646 0.006 . 1 . . . . . 133 PRO HD2 . 51034 1 1448 . 1 . 1 133 133 PRO HD3 H 1 3.928 0.005 . 1 . . . . . 133 PRO HD3 . 51034 1 1449 . 1 . 1 133 133 PRO CA C 13 65.701 0.021 . 1 . . . . . 133 PRO CA . 51034 1 1450 . 1 . 1 133 133 PRO CB C 13 31.256 0.060 . 1 . . . . . 133 PRO CB . 51034 1 1451 . 1 . 1 133 133 PRO CG C 13 29.022 0.104 . 1 . . . . . 133 PRO CG . 51034 1 1452 . 1 . 1 133 133 PRO CD C 13 49.835 0.052 . 1 . . . . . 133 PRO CD . 51034 1 1453 . 1 . 1 134 134 PHE H H 1 6.943 0.011 . 1 . . . . . 134 PHE HN . 51034 1 1454 . 1 . 1 134 134 PHE HA H 1 3.640 0.003 . 1 . . . . . 134 PHE HA . 51034 1 1455 . 1 . 1 134 134 PHE HB2 H 1 3.362 0.012 . 2 . . . . . 134 PHE HB2 . 51034 1 1456 . 1 . 1 134 134 PHE HB3 H 1 2.381 0.013 . 2 . . . . . 134 PHE HB3 . 51034 1 1457 . 1 . 1 134 134 PHE HD1 H 1 6.071 0.014 . 3 . . . . . 134 PHE QD . 51034 1 1458 . 1 . 1 134 134 PHE HD2 H 1 6.071 0.014 . 3 . . . . . 134 PHE QD . 51034 1 1459 . 1 . 1 134 134 PHE HE1 H 1 7.044 0.008 . 3 . . . . . 134 PHE QE . 51034 1 1460 . 1 . 1 134 134 PHE HE2 H 1 7.044 0.008 . 3 . . . . . 134 PHE QE . 51034 1 1461 . 1 . 1 134 134 PHE HZ H 1 6.620 0.020 . 1 . . . . . 134 PHE HZ . 51034 1 1462 . 1 . 1 134 134 PHE CA C 13 60.477 0.053 . 1 . . . . . 134 PHE CA . 51034 1 1463 . 1 . 1 134 134 PHE CB C 13 40.405 0.032 . 1 . . . . . 134 PHE CB . 51034 1 1464 . 1 . 1 134 134 PHE CD1 C 13 130.272 0.000 . 3 . . . . . 134 PHE CD1 . 51034 1 1465 . 1 . 1 134 134 PHE CE2 C 13 131.705 0.000 . 3 . . . . . 134 PHE CE2 . 51034 1 1466 . 1 . 1 134 134 PHE CZ C 13 129.336 0.000 . 1 . . . . . 134 PHE CZ . 51034 1 1467 . 1 . 1 134 134 PHE N N 15 116.162 0.031 . 1 . . . . . 134 PHE N . 51034 1 1468 . 1 . 1 135 135 GLU H H 1 8.741 0.009 . 1 . . . . . 135 GLU HN . 51034 1 1469 . 1 . 1 135 135 GLU HA H 1 4.045 0.005 . 1 . . . . . 135 GLU HA . 51034 1 1470 . 1 . 1 135 135 GLU HB2 H 1 2.314 0.007 . 2 . . . . . 135 GLU QB . 51034 1 1471 . 1 . 1 135 135 GLU HB3 H 1 2.314 0.007 . 2 . . . . . 135 GLU QB . 51034 1 1472 . 1 . 1 135 135 GLU HG2 H 1 2.233 0.006 . 2 . . . . . 135 GLU HG2 . 51034 1 1473 . 1 . 1 135 135 GLU HG3 H 1 2.435 0.007 . 2 . . . . . 135 GLU HG3 . 51034 1 1474 . 1 . 1 135 135 GLU CA C 13 60.314 0.023 . 1 . . . . . 135 GLU CA . 51034 1 1475 . 1 . 1 135 135 GLU CB C 13 30.675 0.030 . 1 . . . . . 135 GLU CB . 51034 1 1476 . 1 . 1 135 135 GLU CG C 13 37.361 0.050 . 1 . . . . . 135 GLU CG . 51034 1 1477 . 1 . 1 135 135 GLU N N 15 123.096 0.031 . 1 . . . . . 135 GLU N . 51034 1 1478 . 1 . 1 136 136 ASP H H 1 9.170 0.008 . 1 . . . . . 136 ASP HN . 51034 1 1479 . 1 . 1 136 136 ASP HA H 1 4.412 0.006 . 1 . . . . . 136 ASP HA . 51034 1 1480 . 1 . 1 136 136 ASP HB2 H 1 2.590 0.010 . 2 . . . . . 136 ASP HB2 . 51034 1 1481 . 1 . 1 136 136 ASP HB3 H 1 2.604 0.009 . 2 . . . . . 136 ASP HB3 . 51034 1 1482 . 1 . 1 136 136 ASP CA C 13 57.463 0.002 . 1 . . . . . 136 ASP CA . 51034 1 1483 . 1 . 1 136 136 ASP CB C 13 39.504 0.035 . 1 . . . . . 136 ASP CB . 51034 1 1484 . 1 . 1 136 136 ASP N N 15 118.675 0.012 . 1 . . . . . 136 ASP N . 51034 1 1485 . 1 . 1 137 137 ALA H H 1 7.101 0.004 . 1 . . . . . 137 ALA HN . 51034 1 1486 . 1 . 1 137 137 ALA HA H 1 4.040 0.003 . 1 . . . . . 137 ALA HA . 51034 1 1487 . 1 . 1 137 137 ALA HB1 H 1 1.312 0.005 . 1 . . . . . 137 ALA HB# . 51034 1 1488 . 1 . 1 137 137 ALA HB2 H 1 1.312 0.005 . 1 . . . . . 137 ALA HB# . 51034 1 1489 . 1 . 1 137 137 ALA HB3 H 1 1.312 0.005 . 1 . . . . . 137 ALA HB# . 51034 1 1490 . 1 . 1 137 137 ALA CA C 13 54.560 0.020 . 1 . . . . . 137 ALA CA . 51034 1 1491 . 1 . 1 137 137 ALA CB C 13 19.827 0.051 . 1 . . . . . 137 ALA CB . 51034 1 1492 . 1 . 1 137 137 ALA N N 15 118.783 0.018 . 1 . . . . . 137 ALA N . 51034 1 1493 . 1 . 1 138 138 SER H H 1 7.888 0.005 . 1 . . . . . 138 SER HN . 51034 1 1494 . 1 . 1 138 138 SER HA H 1 4.054 0.008 . 1 . . . . . 138 SER HA . 51034 1 1495 . 1 . 1 138 138 SER HB2 H 1 3.804 0.007 . 1 . . . . . 138 SER HB2 . 51034 1 1496 . 1 . 1 138 138 SER HB3 H 1 3.528 0.009 . 1 . . . . . 138 SER HB3 . 51034 1 1497 . 1 . 1 138 138 SER CA C 13 63.309 0.019 . 1 . . . . . 138 SER CA . 51034 1 1498 . 1 . 1 138 138 SER CB C 13 63.310 0.022 . 1 . . . . . 138 SER CB . 51034 1 1499 . 1 . 1 138 138 SER N N 15 113.491 0.024 . 1 . . . . . 138 SER N . 51034 1 1500 . 1 . 1 139 139 PHE H H 1 8.160 0.007 . 1 . . . . . 139 PHE HN . 51034 1 1501 . 1 . 1 139 139 PHE HA H 1 3.848 0.005 . 1 . . . . . 139 PHE HA . 51034 1 1502 . 1 . 1 139 139 PHE HB2 H 1 2.979 0.005 . 1 . . . . . 139 PHE HB2 . 51034 1 1503 . 1 . 1 139 139 PHE HB3 H 1 2.880 0.007 . 1 . . . . . 139 PHE HB3 . 51034 1 1504 . 1 . 1 139 139 PHE HD1 H 1 7.438 0.014 . 3 . . . . . 139 PHE QD . 51034 1 1505 . 1 . 1 139 139 PHE HD2 H 1 7.438 0.014 . 3 . . . . . 139 PHE QD . 51034 1 1506 . 1 . 1 139 139 PHE HE1 H 1 7.057 0.014 . 3 . . . . . 139 PHE QE . 51034 1 1507 . 1 . 1 139 139 PHE HE2 H 1 7.057 0.014 . 3 . . . . . 139 PHE QE . 51034 1 1508 . 1 . 1 139 139 PHE HZ H 1 7.118 0.009 . 1 . . . . . 139 PHE HZ . 51034 1 1509 . 1 . 1 139 139 PHE CA C 13 60.954 0.096 . 1 . . . . . 139 PHE CA . 51034 1 1510 . 1 . 1 139 139 PHE CB C 13 38.953 0.033 . 1 . . . . . 139 PHE CB . 51034 1 1511 . 1 . 1 139 139 PHE CD1 C 13 131.585 0.000 . 3 . . . . . 139 PHE CD1 . 51034 1 1512 . 1 . 1 139 139 PHE CE2 C 13 130.979 0.000 . 3 . . . . . 139 PHE CE2 . 51034 1 1513 . 1 . 1 139 139 PHE CZ C 13 129.562 0.000 . 1 . . . . . 139 PHE CZ . 51034 1 1514 . 1 . 1 139 139 PHE N N 15 114.587 0.026 . 1 . . . . . 139 PHE N . 51034 1 1515 . 1 . 1 140 140 ALA H H 1 7.032 0.005 . 1 . . . . . 140 ALA HN . 51034 1 1516 . 1 . 1 140 140 ALA HA H 1 4.402 0.005 . 1 . . . . . 140 ALA HA . 51034 1 1517 . 1 . 1 140 140 ALA HB1 H 1 1.423 0.007 . 1 . . . . . 140 ALA HB# . 51034 1 1518 . 1 . 1 140 140 ALA HB2 H 1 1.423 0.007 . 1 . . . . . 140 ALA HB# . 51034 1 1519 . 1 . 1 140 140 ALA HB3 H 1 1.423 0.007 . 1 . . . . . 140 ALA HB# . 51034 1 1520 . 1 . 1 140 140 ALA CA C 13 52.050 0.017 . 1 . . . . . 140 ALA CA . 51034 1 1521 . 1 . 1 140 140 ALA CB C 13 19.656 0.029 . 1 . . . . . 140 ALA CB . 51034 1 1522 . 1 . 1 140 140 ALA N N 15 119.388 0.019 . 1 . . . . . 140 ALA N . 51034 1 1523 . 1 . 1 141 141 LEU H H 1 6.936 0.007 . 1 . . . . . 141 LEU HN . 51034 1 1524 . 1 . 1 141 141 LEU HA H 1 4.219 0.010 . 1 . . . . . 141 LEU HA . 51034 1 1525 . 1 . 1 141 141 LEU HB2 H 1 1.732 0.009 . 2 . . . . . 141 LEU HB2 . 51034 1 1526 . 1 . 1 141 141 LEU HB3 H 1 1.491 0.008 . 2 . . . . . 141 LEU HB3 . 51034 1 1527 . 1 . 1 141 141 LEU HG H 1 2.069 0.007 . 1 . . . . . 141 LEU HG . 51034 1 1528 . 1 . 1 141 141 LEU HD11 H 1 0.774 0.007 . 1 . . . . . 141 LEU QD1 . 51034 1 1529 . 1 . 1 141 141 LEU HD12 H 1 0.774 0.007 . 1 . . . . . 141 LEU QD1 . 51034 1 1530 . 1 . 1 141 141 LEU HD13 H 1 0.774 0.007 . 1 . . . . . 141 LEU QD1 . 51034 1 1531 . 1 . 1 141 141 LEU HD21 H 1 0.535 0.008 . 1 . . . . . 141 LEU QD2 . 51034 1 1532 . 1 . 1 141 141 LEU HD22 H 1 0.535 0.008 . 1 . . . . . 141 LEU QD2 . 51034 1 1533 . 1 . 1 141 141 LEU HD23 H 1 0.535 0.008 . 1 . . . . . 141 LEU QD2 . 51034 1 1534 . 1 . 1 141 141 LEU CA C 13 54.598 0.017 . 1 . . . . . 141 LEU CA . 51034 1 1535 . 1 . 1 141 141 LEU CB C 13 42.831 0.024 . 1 . . . . . 141 LEU CB . 51034 1 1536 . 1 . 1 141 141 LEU CG C 13 25.336 0.089 . 1 . . . . . 141 LEU CG . 51034 1 1537 . 1 . 1 141 141 LEU CD1 C 13 26.184 0.022 . 1 . . . . . 141 LEU CD1 . 51034 1 1538 . 1 . 1 141 141 LEU CD2 C 13 22.267 0.020 . 1 . . . . . 141 LEU CD2 . 51034 1 1539 . 1 . 1 141 141 LEU N N 15 120.564 0.021 . 1 . . . . . 141 LEU N . 51034 1 1540 . 1 . 1 142 142 ARG H H 1 8.887 0.008 . 1 . . . . . 142 ARG HN . 51034 1 1541 . 1 . 1 142 142 ARG HA H 1 4.352 0.010 . 1 . . . . . 142 ARG HA . 51034 1 1542 . 1 . 1 142 142 ARG HB2 H 1 1.869 0.004 . 1 . . . . . 142 ARG HB2 . 51034 1 1543 . 1 . 1 142 142 ARG HB3 H 1 1.565 0.010 . 1 . . . . . 142 ARG HB3 . 51034 1 1544 . 1 . 1 142 142 ARG HG2 H 1 1.723 0.002 . 2 . . . . . 142 ARG QG . 51034 1 1545 . 1 . 1 142 142 ARG HG3 H 1 1.723 0.002 . 2 . . . . . 142 ARG QG . 51034 1 1546 . 1 . 1 142 142 ARG HD2 H 1 3.189 0.007 . 2 . . . . . 142 ARG QD . 51034 1 1547 . 1 . 1 142 142 ARG HD3 H 1 3.189 0.007 . 2 . . . . . 142 ARG QD . 51034 1 1548 . 1 . 1 142 142 ARG CA C 13 55.026 0.024 . 1 . . . . . 142 ARG CA . 51034 1 1549 . 1 . 1 142 142 ARG CB C 13 30.768 0.046 . 1 . . . . . 142 ARG CB . 51034 1 1550 . 1 . 1 142 142 ARG CG C 13 27.938 0.062 . 1 . . . . . 142 ARG CG . 51034 1 1551 . 1 . 1 142 142 ARG CD C 13 43.305 0.000 . 1 . . . . . 142 ARG CD . 51034 1 1552 . 1 . 1 142 142 ARG N N 15 122.000 0.022 . 1 . . . . . 142 ARG N . 51034 1 1553 . 1 . 1 143 143 THR H H 1 8.474 0.005 . 1 . . . . . 143 THR HN . 51034 1 1554 . 1 . 1 143 143 THR HA H 1 3.213 0.009 . 1 . . . . . 143 THR HA . 51034 1 1555 . 1 . 1 143 143 THR HB H 1 3.856 0.005 . 1 . . . . . 143 THR HB . 51034 1 1556 . 1 . 1 143 143 THR HG21 H 1 0.978 0.004 . 1 . . . . . 143 THR QG2 . 51034 1 1557 . 1 . 1 143 143 THR HG22 H 1 0.978 0.004 . 1 . . . . . 143 THR QG2 . 51034 1 1558 . 1 . 1 143 143 THR HG23 H 1 0.978 0.004 . 1 . . . . . 143 THR QG2 . 51034 1 1559 . 1 . 1 143 143 THR CA C 13 66.183 0.042 . 1 . . . . . 143 THR CA . 51034 1 1560 . 1 . 1 143 143 THR CB C 13 67.333 0.054 . 1 . . . . . 143 THR CB . 51034 1 1561 . 1 . 1 143 143 THR CG2 C 13 22.774 0.059 . 1 . . . . . 143 THR CG2 . 51034 1 1562 . 1 . 1 143 143 THR N N 15 116.864 0.013 . 1 . . . . . 143 THR N . 51034 1 1563 . 1 . 1 144 144 GLY H H 1 8.934 0.007 . 1 . . . . . 144 GLY HN . 51034 1 1564 . 1 . 1 144 144 GLY HA2 H 1 3.644 0.008 . 2 . . . . . 144 GLY HA1 . 51034 1 1565 . 1 . 1 144 144 GLY HA3 H 1 4.215 0.007 . 2 . . . . . 144 GLY HA2 . 51034 1 1566 . 1 . 1 144 144 GLY CA C 13 45.026 0.017 . 1 . . . . . 144 GLY CA . 51034 1 1567 . 1 . 1 144 144 GLY N N 15 115.563 0.026 . 1 . . . . . 144 GLY N . 51034 1 1568 . 1 . 1 145 145 GLU H H 1 8.169 0.004 . 1 . . . . . 145 GLU HN . 51034 1 1569 . 1 . 1 145 145 GLU HA H 1 4.340 0.007 . 1 . . . . . 145 GLU HA . 51034 1 1570 . 1 . 1 145 145 GLU HB2 H 1 2.240 0.008 . 2 . . . . . 145 GLU HB2 . 51034 1 1571 . 1 . 1 145 145 GLU HB3 H 1 1.929 0.005 . 2 . . . . . 145 GLU HB3 . 51034 1 1572 . 1 . 1 145 145 GLU HG2 H 1 2.250 0.011 . 2 . . . . . 145 GLU QG . 51034 1 1573 . 1 . 1 145 145 GLU HG3 H 1 2.250 0.011 . 2 . . . . . 145 GLU QG . 51034 1 1574 . 1 . 1 145 145 GLU CA C 13 55.492 0.008 . 1 . . . . . 145 GLU CA . 51034 1 1575 . 1 . 1 145 145 GLU CB C 13 32.297 0.014 . 1 . . . . . 145 GLU CB . 51034 1 1576 . 1 . 1 145 145 GLU CG C 13 36.754 0.004 . 1 . . . . . 145 GLU CG . 51034 1 1577 . 1 . 1 145 145 GLU N N 15 122.008 0.012 . 1 . . . . . 145 GLU N . 51034 1 1578 . 1 . 1 146 146 MET H H 1 8.227 0.005 . 1 . . . . . 146 MET HN . 51034 1 1579 . 1 . 1 146 146 MET HA H 1 5.660 0.006 . 1 . . . . . 146 MET HA . 51034 1 1580 . 1 . 1 146 146 MET HB2 H 1 2.162 0.011 . 1 . . . . . 146 MET HB2 . 51034 1 1581 . 1 . 1 146 146 MET HB3 H 1 1.793 0.004 . 1 . . . . . 146 MET HB3 . 51034 1 1582 . 1 . 1 146 146 MET HG2 H 1 2.327 0.009 . 1 . . . . . 146 MET HG2 . 51034 1 1583 . 1 . 1 146 146 MET HG3 H 1 3.058 0.007 . 1 . . . . . 146 MET HG3 . 51034 1 1584 . 1 . 1 146 146 MET HE1 H 1 2.226 0.004 . 1 . . . . . 146 MET HE# . 51034 1 1585 . 1 . 1 146 146 MET HE2 H 1 2.226 0.004 . 1 . . . . . 146 MET HE# . 51034 1 1586 . 1 . 1 146 146 MET HE3 H 1 2.226 0.004 . 1 . . . . . 146 MET HE# . 51034 1 1587 . 1 . 1 146 146 MET CA C 13 52.842 0.030 . 1 . . . . . 146 MET CA . 51034 1 1588 . 1 . 1 146 146 MET CB C 13 37.594 0.029 . 1 . . . . . 146 MET CB . 51034 1 1589 . 1 . 1 146 146 MET CG C 13 31.492 0.029 . 1 . . . . . 146 MET CG . 51034 1 1590 . 1 . 1 146 146 MET CE C 13 17.052 0.014 . 1 . . . . . 146 MET CE . 51034 1 1591 . 1 . 1 146 146 MET N N 15 122.844 0.027 . 1 . . . . . 146 MET N . 51034 1 1592 . 1 . 1 147 147 SER H H 1 9.674 0.011 . 1 . . . . . 147 SER HN . 51034 1 1593 . 1 . 1 147 147 SER HA H 1 4.333 0.005 . 1 . . . . . 147 SER HA . 51034 1 1594 . 1 . 1 147 147 SER HB2 H 1 3.687 0.008 . 2 . . . . . 147 SER QB . 51034 1 1595 . 1 . 1 147 147 SER HB3 H 1 3.687 0.008 . 2 . . . . . 147 SER QB . 51034 1 1596 . 1 . 1 147 147 SER CA C 13 58.963 0.011 . 1 . . . . . 147 SER CA . 51034 1 1597 . 1 . 1 147 147 SER CB C 13 65.009 0.035 . 1 . . . . . 147 SER CB . 51034 1 1598 . 1 . 1 147 147 SER N N 15 123.317 0.025 . 1 . . . . . 147 SER N . 51034 1 1599 . 1 . 1 148 148 GLY H H 1 7.752 0.007 . 1 . . . . . 148 GLY HN . 51034 1 1600 . 1 . 1 148 148 GLY HA2 H 1 3.884 0.005 . 2 . . . . . 148 GLY HA1 . 51034 1 1601 . 1 . 1 148 148 GLY HA3 H 1 4.474 0.008 . 2 . . . . . 148 GLY HA2 . 51034 1 1602 . 1 . 1 148 148 GLY CA C 13 44.327 0.058 . 1 . . . . . 148 GLY CA . 51034 1 1603 . 1 . 1 148 148 GLY N N 15 103.160 0.041 . 1 . . . . . 148 GLY N . 51034 1 1604 . 1 . 1 149 149 PRO HA H 1 4.327 0.004 . 1 . . . . . 149 PRO HA . 51034 1 1605 . 1 . 1 149 149 PRO HB2 H 1 1.720 0.008 . 1 . . . . . 149 PRO HB2 . 51034 1 1606 . 1 . 1 149 149 PRO HB3 H 1 1.662 0.006 . 1 . . . . . 149 PRO HB3 . 51034 1 1607 . 1 . 1 149 149 PRO HG2 H 1 2.265 0.004 . 1 . . . . . 149 PRO HG2 . 51034 1 1608 . 1 . 1 149 149 PRO HG3 H 1 1.784 0.006 . 1 . . . . . 149 PRO HG3 . 51034 1 1609 . 1 . 1 149 149 PRO HD2 H 1 3.550 0.011 . 1 . . . . . 149 PRO HD2 . 51034 1 1610 . 1 . 1 149 149 PRO HD3 H 1 3.606 0.009 . 1 . . . . . 149 PRO HD3 . 51034 1 1611 . 1 . 1 149 149 PRO CA C 13 63.633 0.046 . 1 . . . . . 149 PRO CA . 51034 1 1612 . 1 . 1 149 149 PRO CB C 13 31.440 0.028 . 1 . . . . . 149 PRO CB . 51034 1 1613 . 1 . 1 149 149 PRO CG C 13 28.032 0.058 . 1 . . . . . 149 PRO CG . 51034 1 1614 . 1 . 1 149 149 PRO CD C 13 49.038 0.017 . 1 . . . . . 149 PRO CD . 51034 1 1615 . 1 . 1 150 150 VAL H H 1 9.190 0.009 . 1 . . . . . 150 VAL HN . 51034 1 1616 . 1 . 1 150 150 VAL HA H 1 4.325 0.003 . 1 . . . . . 150 VAL HA . 51034 1 1617 . 1 . 1 150 150 VAL HB H 1 1.747 0.008 . 1 . . . . . 150 VAL HB . 51034 1 1618 . 1 . 1 150 150 VAL HG11 H 1 0.691 0.006 . 1 . . . . . 150 VAL QG1 . 51034 1 1619 . 1 . 1 150 150 VAL HG12 H 1 0.691 0.006 . 1 . . . . . 150 VAL QG1 . 51034 1 1620 . 1 . 1 150 150 VAL HG13 H 1 0.691 0.006 . 1 . . . . . 150 VAL QG1 . 51034 1 1621 . 1 . 1 150 150 VAL HG21 H 1 0.911 0.011 . 1 . . . . . 150 VAL QG2 . 51034 1 1622 . 1 . 1 150 150 VAL HG22 H 1 0.911 0.011 . 1 . . . . . 150 VAL QG2 . 51034 1 1623 . 1 . 1 150 150 VAL HG23 H 1 0.911 0.011 . 1 . . . . . 150 VAL QG2 . 51034 1 1624 . 1 . 1 150 150 VAL CA C 13 61.606 0.062 . 1 . . . . . 150 VAL CA . 51034 1 1625 . 1 . 1 150 150 VAL CB C 13 35.142 0.040 . 1 . . . . . 150 VAL CB . 51034 1 1626 . 1 . 1 150 150 VAL CG1 C 13 20.457 0.030 . 1 . . . . . 150 VAL CG1 . 51034 1 1627 . 1 . 1 150 150 VAL CG2 C 13 20.889 0.039 . 1 . . . . . 150 VAL CG2 . 51034 1 1628 . 1 . 1 150 150 VAL N N 15 127.160 0.059 . 1 . . . . . 150 VAL N . 51034 1 1629 . 1 . 1 151 151 PHE H H 1 9.113 0.010 . 1 . . . . . 151 PHE HN . 51034 1 1630 . 1 . 1 151 151 PHE HA H 1 5.082 0.011 . 1 . . . . . 151 PHE HA . 51034 1 1631 . 1 . 1 151 151 PHE HB2 H 1 3.081 0.012 . 2 . . . . . 151 PHE HB2 . 51034 1 1632 . 1 . 1 151 151 PHE HB3 H 1 3.113 0.013 . 2 . . . . . 151 PHE HB3 . 51034 1 1633 . 1 . 1 151 151 PHE HD1 H 1 7.406 0.012 . 3 . . . . . 151 PHE QD . 51034 1 1634 . 1 . 1 151 151 PHE HD2 H 1 7.406 0.012 . 3 . . . . . 151 PHE QD . 51034 1 1635 . 1 . 1 151 151 PHE HE1 H 1 7.218 0.006 . 3 . . . . . 151 PHE QE . 51034 1 1636 . 1 . 1 151 151 PHE HE2 H 1 7.218 0.006 . 3 . . . . . 151 PHE QE . 51034 1 1637 . 1 . 1 151 151 PHE HZ H 1 7.329 0.013 . 1 . . . . . 151 PHE HZ . 51034 1 1638 . 1 . 1 151 151 PHE CA C 13 57.862 0.022 . 1 . . . . . 151 PHE CA . 51034 1 1639 . 1 . 1 151 151 PHE CB C 13 39.450 0.006 . 1 . . . . . 151 PHE CB . 51034 1 1640 . 1 . 1 151 151 PHE CD2 C 13 132.466 0.000 . 3 . . . . . 151 PHE CD2 . 51034 1 1641 . 1 . 1 151 151 PHE CE2 C 13 130.970 0.000 . 3 . . . . . 151 PHE CE2 . 51034 1 1642 . 1 . 1 151 151 PHE CZ C 13 131.389 0.000 . 1 . . . . . 151 PHE CZ . 51034 1 1643 . 1 . 1 151 151 PHE N N 15 127.948 0.031 . 1 . . . . . 151 PHE N . 51034 1 1644 . 1 . 1 152 152 THR H H 1 9.060 0.006 . 1 . . . . . 152 THR HN . 51034 1 1645 . 1 . 1 152 152 THR HA H 1 4.974 0.010 . 1 . . . . . 152 THR HA . 51034 1 1646 . 1 . 1 152 152 THR HG21 H 1 1.223 0.005 . 1 . . . . . 152 THR QG2 . 51034 1 1647 . 1 . 1 152 152 THR HG22 H 1 1.223 0.005 . 1 . . . . . 152 THR QG2 . 51034 1 1648 . 1 . 1 152 152 THR HG23 H 1 1.223 0.005 . 1 . . . . . 152 THR QG2 . 51034 1 1649 . 1 . 1 152 152 THR CA C 13 60.465 0.025 . 1 . . . . . 152 THR CA . 51034 1 1650 . 1 . 1 152 152 THR CB C 13 72.517 0.000 . 1 . . . . . 152 THR CB . 51034 1 1651 . 1 . 1 152 152 THR CG2 C 13 21.357 0.054 . 1 . . . . . 152 THR CG2 . 51034 1 1652 . 1 . 1 152 152 THR N N 15 112.594 0.042 . 1 . . . . . 152 THR N . 51034 1 1653 . 1 . 1 153 153 ASP H H 1 9.009 0.006 . 1 . . . . . 153 ASP HN . 51034 1 1654 . 1 . 1 153 153 ASP HA H 1 4.654 0.004 . 1 . . . . . 153 ASP HA . 51034 1 1655 . 1 . 1 153 153 ASP HB2 H 1 2.815 0.005 . 2 . . . . . 153 ASP QB . 51034 1 1656 . 1 . 1 153 153 ASP HB3 H 1 2.815 0.005 . 2 . . . . . 153 ASP QB . 51034 1 1657 . 1 . 1 153 153 ASP CA C 13 56.249 0.042 . 1 . . . . . 153 ASP CA . 51034 1 1658 . 1 . 1 153 153 ASP CB C 13 40.460 0.030 . 1 . . . . . 153 ASP CB . 51034 1 1659 . 1 . 1 153 153 ASP N N 15 117.834 0.025 . 1 . . . . . 153 ASP N . 51034 1 1660 . 1 . 1 154 154 SER H H 1 9.029 0.006 . 1 . . . . . 154 SER HN . 51034 1 1661 . 1 . 1 154 154 SER HA H 1 4.778 0.033 . 1 . . . . . 154 SER HA . 51034 1 1662 . 1 . 1 154 154 SER HB2 H 1 3.887 0.008 . 1 . . . . . 154 SER QB . 51034 1 1663 . 1 . 1 154 154 SER HB3 H 1 3.887 0.008 . 1 . . . . . 154 SER QB . 51034 1 1664 . 1 . 1 154 154 SER CA C 13 61.198 0.000 . 1 . . . . . 154 SER CA . 51034 1 1665 . 1 . 1 154 154 SER CB C 13 63.439 0.011 . 1 . . . . . 154 SER CB . 51034 1 1666 . 1 . 1 154 154 SER N N 15 114.594 0.020 . 1 . . . . . 154 SER N . 51034 1 1667 . 1 . 1 155 155 GLY H H 1 7.673 0.006 . 1 . . . . . 155 GLY HN . 51034 1 1668 . 1 . 1 155 155 GLY HA2 H 1 3.953 0.008 . 1 . . . . . 155 GLY HA1 . 51034 1 1669 . 1 . 1 155 155 GLY HA3 H 1 3.454 0.008 . 1 . . . . . 155 GLY HA2 . 51034 1 1670 . 1 . 1 155 155 GLY CA C 13 45.198 0.122 . 1 . . . . . 155 GLY CA . 51034 1 1671 . 1 . 1 155 155 GLY N N 15 110.125 0.060 . 1 . . . . . 155 GLY N . 51034 1 1672 . 1 . 1 156 156 ILE H H 1 8.289 0.008 . 1 . . . . . 156 ILE HN . 51034 1 1673 . 1 . 1 156 156 ILE HA H 1 5.007 0.010 . 1 . . . . . 156 ILE HA . 51034 1 1674 . 1 . 1 156 156 ILE HB H 1 1.481 0.007 . 1 . . . . . 156 ILE HB . 51034 1 1675 . 1 . 1 156 156 ILE HG12 H 1 1.610 0.006 . 1 . . . . . 156 ILE HG12 . 51034 1 1676 . 1 . 1 156 156 ILE HG13 H 1 0.821 0.010 . 1 . . . . . 156 ILE HG13 . 51034 1 1677 . 1 . 1 156 156 ILE HG21 H 1 0.429 0.006 . 1 . . . . . 156 ILE QG2 . 51034 1 1678 . 1 . 1 156 156 ILE HG22 H 1 0.429 0.006 . 1 . . . . . 156 ILE QG2 . 51034 1 1679 . 1 . 1 156 156 ILE HG23 H 1 0.429 0.006 . 1 . . . . . 156 ILE QG2 . 51034 1 1680 . 1 . 1 156 156 ILE HD11 H 1 0.751 0.005 . 1 . . . . . 156 ILE QD1 . 51034 1 1681 . 1 . 1 156 156 ILE HD12 H 1 0.751 0.005 . 1 . . . . . 156 ILE QD1 . 51034 1 1682 . 1 . 1 156 156 ILE HD13 H 1 0.751 0.005 . 1 . . . . . 156 ILE QD1 . 51034 1 1683 . 1 . 1 156 156 ILE CA C 13 59.947 0.023 . 1 . . . . . 156 ILE CA . 51034 1 1684 . 1 . 1 156 156 ILE CB C 13 39.167 0.043 . 1 . . . . . 156 ILE CB . 51034 1 1685 . 1 . 1 156 156 ILE CG1 C 13 26.586 0.097 . 1 . . . . . 156 ILE CG1 . 51034 1 1686 . 1 . 1 156 156 ILE CG2 C 13 18.237 0.033 . 1 . . . . . 156 ILE CG2 . 51034 1 1687 . 1 . 1 156 156 ILE CD1 C 13 15.435 0.019 . 1 . . . . . 156 ILE CD1 . 51034 1 1688 . 1 . 1 156 156 ILE N N 15 123.148 0.031 . 1 . . . . . 156 ILE N . 51034 1 1689 . 1 . 1 157 157 HIS H H 1 9.907 0.009 . 1 . . . . . 157 HIS HN . 51034 1 1690 . 1 . 1 157 157 HIS HA H 1 5.988 0.010 . 1 . . . . . 157 HIS HA . 51034 1 1691 . 1 . 1 157 157 HIS HB2 H 1 3.122 0.009 . 2 . . . . . 157 HIS HB2 . 51034 1 1692 . 1 . 1 157 157 HIS HB3 H 1 2.929 0.011 . 2 . . . . . 157 HIS HB3 . 51034 1 1693 . 1 . 1 157 157 HIS HD2 H 1 7.181 0.016 . 1 . . . . . 157 HIS HD2 . 51034 1 1694 . 1 . 1 157 157 HIS HE1 H 1 7.855 0.007 . 1 . . . . . 157 HIS HE1 . 51034 1 1695 . 1 . 1 157 157 HIS CA C 13 53.783 0.067 . 1 . . . . . 157 HIS CA . 51034 1 1696 . 1 . 1 157 157 HIS CB C 13 32.049 0.028 . 1 . . . . . 157 HIS CB . 51034 1 1697 . 1 . 1 157 157 HIS CD2 C 13 130.214 0.000 . 1 . . . . . 157 HIS CD2 . 51034 1 1698 . 1 . 1 157 157 HIS CE1 C 13 136.341 0.000 . 1 . . . . . 157 HIS CE1 . 51034 1 1699 . 1 . 1 157 157 HIS N N 15 124.528 0.061 . 1 . . . . . 157 HIS N . 51034 1 1700 . 1 . 1 158 158 ILE H H 1 8.542 0.009 . 1 . . . . . 158 ILE HN . 51034 1 1701 . 1 . 1 158 158 ILE HA H 1 4.169 0.009 . 1 . . . . . 158 ILE HA . 51034 1 1702 . 1 . 1 158 158 ILE HB H 1 1.760 0.006 . 1 . . . . . 158 ILE HB . 51034 1 1703 . 1 . 1 158 158 ILE HG12 H 1 1.864 0.008 . 1 . . . . . 158 ILE HG12 . 51034 1 1704 . 1 . 1 158 158 ILE HG13 H 1 0.954 0.008 . 1 . . . . . 158 ILE HG13 . 51034 1 1705 . 1 . 1 158 158 ILE HG21 H 1 1.050 0.005 . 1 . . . . . 158 ILE QG2 . 51034 1 1706 . 1 . 1 158 158 ILE HG22 H 1 1.050 0.005 . 1 . . . . . 158 ILE QG2 . 51034 1 1707 . 1 . 1 158 158 ILE HG23 H 1 1.050 0.005 . 1 . . . . . 158 ILE QG2 . 51034 1 1708 . 1 . 1 158 158 ILE HD11 H 1 0.997 0.006 . 1 . . . . . 158 ILE QD1 . 51034 1 1709 . 1 . 1 158 158 ILE HD12 H 1 0.997 0.006 . 1 . . . . . 158 ILE QD1 . 51034 1 1710 . 1 . 1 158 158 ILE HD13 H 1 0.997 0.006 . 1 . . . . . 158 ILE QD1 . 51034 1 1711 . 1 . 1 158 158 ILE CA C 13 62.335 0.008 . 1 . . . . . 158 ILE CA . 51034 1 1712 . 1 . 1 158 158 ILE CB C 13 41.504 0.017 . 1 . . . . . 158 ILE CB . 51034 1 1713 . 1 . 1 158 158 ILE CG1 C 13 26.744 0.078 . 1 . . . . . 158 ILE CG1 . 51034 1 1714 . 1 . 1 158 158 ILE CG2 C 13 19.207 0.007 . 1 . . . . . 158 ILE CG2 . 51034 1 1715 . 1 . 1 158 158 ILE CD1 C 13 14.823 0.019 . 1 . . . . . 158 ILE CD1 . 51034 1 1716 . 1 . 1 158 158 ILE N N 15 115.928 0.014 . 1 . . . . . 158 ILE N . 51034 1 1717 . 1 . 1 159 159 ILE H H 1 8.840 0.007 . 1 . . . . . 159 ILE HN . 51034 1 1718 . 1 . 1 159 159 ILE HA H 1 4.695 0.019 . 1 . . . . . 159 ILE HA . 51034 1 1719 . 1 . 1 159 159 ILE HB H 1 1.282 0.010 . 1 . . . . . 159 ILE HB . 51034 1 1720 . 1 . 1 159 159 ILE HG12 H 1 0.515 0.005 . 1 . . . . . 159 ILE HG12 . 51034 1 1721 . 1 . 1 159 159 ILE HG13 H 1 1.350 0.006 . 1 . . . . . 159 ILE HG13 . 51034 1 1722 . 1 . 1 159 159 ILE HG21 H 1 0.719 0.009 . 1 . . . . . 159 ILE QG2 . 51034 1 1723 . 1 . 1 159 159 ILE HG22 H 1 0.719 0.009 . 1 . . . . . 159 ILE QG2 . 51034 1 1724 . 1 . 1 159 159 ILE HG23 H 1 0.719 0.009 . 1 . . . . . 159 ILE QG2 . 51034 1 1725 . 1 . 1 159 159 ILE HD11 H 1 -0.079 0.009 . 1 . . . . . 159 ILE QD1 . 51034 1 1726 . 1 . 1 159 159 ILE HD12 H 1 -0.079 0.009 . 1 . . . . . 159 ILE QD1 . 51034 1 1727 . 1 . 1 159 159 ILE HD13 H 1 -0.079 0.009 . 1 . . . . . 159 ILE QD1 . 51034 1 1728 . 1 . 1 159 159 ILE CA C 13 61.007 0.000 . 1 . . . . . 159 ILE CA . 51034 1 1729 . 1 . 1 159 159 ILE CB C 13 41.534 0.097 . 1 . . . . . 159 ILE CB . 51034 1 1730 . 1 . 1 159 159 ILE CG1 C 13 27.559 0.008 . 1 . . . . . 159 ILE CG1 . 51034 1 1731 . 1 . 1 159 159 ILE CG2 C 13 17.977 0.037 . 1 . . . . . 159 ILE CG2 . 51034 1 1732 . 1 . 1 159 159 ILE CD1 C 13 14.786 0.024 . 1 . . . . . 159 ILE CD1 . 51034 1 1733 . 1 . 1 159 159 ILE N N 15 125.762 0.025 . 1 . . . . . 159 ILE N . 51034 1 1734 . 1 . 1 160 160 LEU H H 1 8.799 0.005 . 1 . . . . . 160 LEU HN . 51034 1 1735 . 1 . 1 160 160 LEU HA H 1 4.819 0.007 . 1 . . . . . 160 LEU HA . 51034 1 1736 . 1 . 1 160 160 LEU HB2 H 1 0.777 0.013 . 2 . . . . . 160 LEU HB2 . 51034 1 1737 . 1 . 1 160 160 LEU HB3 H 1 -0.006 0.006 . 2 . . . . . 160 LEU HB3 . 51034 1 1738 . 1 . 1 160 160 LEU HG H 1 0.851 0.010 . 1 . . . . . 160 LEU HG . 51034 1 1739 . 1 . 1 160 160 LEU HD11 H 1 0.448 0.008 . 1 . . . . . 160 LEU QD1 . 51034 1 1740 . 1 . 1 160 160 LEU HD12 H 1 0.448 0.008 . 1 . . . . . 160 LEU QD1 . 51034 1 1741 . 1 . 1 160 160 LEU HD13 H 1 0.448 0.008 . 1 . . . . . 160 LEU QD1 . 51034 1 1742 . 1 . 1 160 160 LEU HD21 H 1 0.313 0.009 . 1 . . . . . 160 LEU QD2 . 51034 1 1743 . 1 . 1 160 160 LEU HD22 H 1 0.313 0.009 . 1 . . . . . 160 LEU QD2 . 51034 1 1744 . 1 . 1 160 160 LEU HD23 H 1 0.313 0.009 . 1 . . . . . 160 LEU QD2 . 51034 1 1745 . 1 . 1 160 160 LEU CA C 13 52.901 0.000 . 1 . . . . . 160 LEU CA . 51034 1 1746 . 1 . 1 160 160 LEU CB C 13 45.369 0.015 . 1 . . . . . 160 LEU CB . 51034 1 1747 . 1 . 1 160 160 LEU CG C 13 26.870 0.037 . 1 . . . . . 160 LEU CG . 51034 1 1748 . 1 . 1 160 160 LEU CD1 C 13 22.621 0.016 . 1 . . . . . 160 LEU CD1 . 51034 1 1749 . 1 . 1 160 160 LEU CD2 C 13 25.739 0.021 . 1 . . . . . 160 LEU CD2 . 51034 1 1750 . 1 . 1 160 160 LEU N N 15 128.781 0.043 . 1 . . . . . 160 LEU N . 51034 1 1751 . 1 . 1 161 161 ARG H H 1 8.080 0.010 . 1 . . . . . 161 ARG HN . 51034 1 1752 . 1 . 1 161 161 ARG HA H 1 5.098 0.008 . 1 . . . . . 161 ARG HA . 51034 1 1753 . 1 . 1 161 161 ARG HB2 H 1 1.923 0.006 . 1 . . . . . 161 ARG HB2 . 51034 1 1754 . 1 . 1 161 161 ARG HB3 H 1 2.041 0.013 . 1 . . . . . 161 ARG HB3 . 51034 1 1755 . 1 . 1 161 161 ARG HG2 H 1 1.579 0.013 . 1 . . . . . 161 ARG HG2 . 51034 1 1756 . 1 . 1 161 161 ARG HG3 H 1 1.134 0.012 . 1 . . . . . 161 ARG HG3 . 51034 1 1757 . 1 . 1 161 161 ARG HD2 H 1 2.902 0.010 . 2 . . . . . 161 ARG HD2 . 51034 1 1758 . 1 . 1 161 161 ARG HD3 H 1 2.391 0.008 . 2 . . . . . 161 ARG HD3 . 51034 1 1759 . 1 . 1 161 161 ARG CA C 13 56.442 0.013 . 1 . . . . . 161 ARG CA . 51034 1 1760 . 1 . 1 161 161 ARG CB C 13 30.030 0.000 . 1 . . . . . 161 ARG CB . 51034 1 1761 . 1 . 1 161 161 ARG CD C 13 43.443 0.011 . 1 . . . . . 161 ARG CD . 51034 1 1762 . 1 . 1 161 161 ARG N N 15 127.427 0.045 . 1 . . . . . 161 ARG N . 51034 1 1763 . 1 . 1 162 162 THR H H 1 9.066 0.011 . 1 . . . . . 162 THR HN . 51034 1 1764 . 1 . 1 162 162 THR HA H 1 4.375 0.007 . 1 . . . . . 162 THR HA . 51034 1 1765 . 1 . 1 162 162 THR HB H 1 4.168 0.004 . 1 . . . . . 162 THR HB . 51034 1 1766 . 1 . 1 162 162 THR HG21 H 1 1.003 0.005 . 1 . . . . . 162 THR QG2 . 51034 1 1767 . 1 . 1 162 162 THR HG22 H 1 1.003 0.005 . 1 . . . . . 162 THR QG2 . 51034 1 1768 . 1 . 1 162 162 THR HG23 H 1 1.003 0.005 . 1 . . . . . 162 THR QG2 . 51034 1 1769 . 1 . 1 162 162 THR CA C 13 62.048 0.031 . 1 . . . . . 162 THR CA . 51034 1 1770 . 1 . 1 162 162 THR CB C 13 69.278 0.041 . 1 . . . . . 162 THR CB . 51034 1 1771 . 1 . 1 162 162 THR CG2 C 13 21.797 0.105 . 1 . . . . . 162 THR CG2 . 51034 1 1772 . 1 . 1 162 162 THR N N 15 120.965 0.022 . 1 . . . . . 162 THR N . 51034 1 1773 . 1 . 1 163 163 GLU H H 1 7.957 0.005 . 1 . . . . . 163 GLU HN . 51034 1 1774 . 1 . 1 163 163 GLU HA H 1 4.077 0.004 . 1 . . . . . 163 GLU HA . 51034 1 1775 . 1 . 1 163 163 GLU HB2 H 1 1.733 0.007 . 2 . . . . . 163 GLU HB2 . 51034 1 1776 . 1 . 1 163 163 GLU HB3 H 1 1.936 0.006 . 2 . . . . . 163 GLU HB3 . 51034 1 1777 . 1 . 1 163 163 GLU HG2 H 1 2.140 0.007 . 2 . . . . . 163 GLU HG2 . 51034 1 1778 . 1 . 1 163 163 GLU HG3 H 1 2.344 0.010 . 2 . . . . . 163 GLU HG3 . 51034 1 1779 . 1 . 1 163 163 GLU CA C 13 58.166 0.096 . 1 . . . . . 163 GLU CA . 51034 1 1780 . 1 . 1 163 163 GLU CB C 13 33.449 0.025 . 1 . . . . . 163 GLU CB . 51034 1 1781 . 1 . 1 163 163 GLU CG C 13 36.669 0.020 . 1 . . . . . 163 GLU CG . 51034 1 1782 . 1 . 1 163 163 GLU N N 15 126.229 0.041 . 1 . . . . . 163 GLU N . 51034 1 stop_ save_