data_51043 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51043 _Entry.Title ; WT Pin1 with 5x FFpSPR ligand ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-07-29 _Entry.Accession_date 2021-07-29 _Entry.Last_release_date 2021-07-29 _Entry.Original_release_date 2021-07-29 _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 . _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 51043 2 Morkos Henen . . . . 51043 3 Beat Vogeli . . . . 51043 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51043 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 51043 '15N chemical shifts' 168 51043 '1H chemical shifts' 1068 51043 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 . 51043 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27579 'Apo WT full-length Pin1' 51043 BMRB 51034 'WT Pin1 with pCDC25c ligand' 51043 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51043 _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 . . . . 51043 1 2 Janne Soetbeer . . . . 51043 1 3 Morkos Henen . . . . 51043 1 4 Frauke Breitgoff . . . . 51043 1 5 Parker Nichols . . . . 51043 1 6 Gunnar Jeschke . . . . 51043 1 7 Beat Vogeli . . . . 51043 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51043 _Assembly.ID 1 _Assembly.Name 'Pin1 with FFpSPR' _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 . . . 51043 1 2 FFpSPR 2 $entity_2 . . no native yes yes . . . 51043 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51043 _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 'Starting at 1, should be 163 amino acids long' _Entity.Ambiguous_conformational_states no _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 18243 _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 . 'Apo Pin1' . . . . . . . . . . . . . . 51043 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'prolyl isomerase' 51043 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 . 51043 1 2 . ALA . 51043 1 3 . ASP . 51043 1 4 . GLU . 51043 1 5 . GLU . 51043 1 6 . LYS . 51043 1 7 . LEU . 51043 1 8 . PRO . 51043 1 9 . PRO . 51043 1 10 . GLY . 51043 1 11 . TRP . 51043 1 12 . GLU . 51043 1 13 . LYS . 51043 1 14 . ARG . 51043 1 15 . MET . 51043 1 16 . SER . 51043 1 17 . ARG . 51043 1 18 . SER . 51043 1 19 . SER . 51043 1 20 . GLY . 51043 1 21 . ARG . 51043 1 22 . VAL . 51043 1 23 . TYR . 51043 1 24 . TYR . 51043 1 25 . PHE . 51043 1 26 . ASN . 51043 1 27 . HIS . 51043 1 28 . ILE . 51043 1 29 . THR . 51043 1 30 . ASN . 51043 1 31 . ALA . 51043 1 32 . SER . 51043 1 33 . GLN . 51043 1 34 . TRP . 51043 1 35 . GLU . 51043 1 36 . ARG . 51043 1 37 . PRO . 51043 1 38 . SER . 51043 1 39 . GLY . 51043 1 40 . ASN . 51043 1 41 . SER . 51043 1 42 . SER . 51043 1 43 . SER . 51043 1 44 . GLY . 51043 1 45 . GLY . 51043 1 46 . LYS . 51043 1 47 . ASN . 51043 1 48 . GLY . 51043 1 49 . GLN . 51043 1 50 . GLY . 51043 1 51 . GLU . 51043 1 52 . PRO . 51043 1 53 . ALA . 51043 1 54 . ARG . 51043 1 55 . VAL . 51043 1 56 . ARG . 51043 1 57 . CYS . 51043 1 58 . SER . 51043 1 59 . HIS . 51043 1 60 . LEU . 51043 1 61 . LEU . 51043 1 62 . VAL . 51043 1 63 . LYS . 51043 1 64 . HIS . 51043 1 65 . SER . 51043 1 66 . GLN . 51043 1 67 . SER . 51043 1 68 . ARG . 51043 1 69 . ARG . 51043 1 70 . PRO . 51043 1 71 . SER . 51043 1 72 . SER . 51043 1 73 . TRP . 51043 1 74 . ARG . 51043 1 75 . GLN . 51043 1 76 . GLU . 51043 1 77 . LYS . 51043 1 78 . ILE . 51043 1 79 . THR . 51043 1 80 . ARG . 51043 1 81 . THR . 51043 1 82 . LYS . 51043 1 83 . GLU . 51043 1 84 . GLU . 51043 1 85 . ALA . 51043 1 86 . LEU . 51043 1 87 . GLU . 51043 1 88 . LEU . 51043 1 89 . ILE . 51043 1 90 . ASN . 51043 1 91 . GLY . 51043 1 92 . TYR . 51043 1 93 . ILE . 51043 1 94 . GLN . 51043 1 95 . LYS . 51043 1 96 . ILE . 51043 1 97 . LYS . 51043 1 98 . SER . 51043 1 99 . GLY . 51043 1 100 . GLU . 51043 1 101 . GLU . 51043 1 102 . ASP . 51043 1 103 . PHE . 51043 1 104 . GLU . 51043 1 105 . SER . 51043 1 106 . LEU . 51043 1 107 . ALA . 51043 1 108 . SER . 51043 1 109 . GLN . 51043 1 110 . PHE . 51043 1 111 . SER . 51043 1 112 . ASP . 51043 1 113 . CYS . 51043 1 114 . SER . 51043 1 115 . SER . 51043 1 116 . ALA . 51043 1 117 . LYS . 51043 1 118 . ALA . 51043 1 119 . ARG . 51043 1 120 . GLY . 51043 1 121 . ASP . 51043 1 122 . LEU . 51043 1 123 . GLY . 51043 1 124 . ALA . 51043 1 125 . PHE . 51043 1 126 . SER . 51043 1 127 . ARG . 51043 1 128 . GLY . 51043 1 129 . GLN . 51043 1 130 . MET . 51043 1 131 . GLN . 51043 1 132 . LYS . 51043 1 133 . PRO . 51043 1 134 . PHE . 51043 1 135 . GLU . 51043 1 136 . ASP . 51043 1 137 . ALA . 51043 1 138 . SER . 51043 1 139 . PHE . 51043 1 140 . ALA . 51043 1 141 . LEU . 51043 1 142 . ARG . 51043 1 143 . THR . 51043 1 144 . GLY . 51043 1 145 . GLU . 51043 1 146 . MET . 51043 1 147 . SER . 51043 1 148 . GLY . 51043 1 149 . PRO . 51043 1 150 . VAL . 51043 1 151 . PHE . 51043 1 152 . THR . 51043 1 153 . ASP . 51043 1 154 . SER . 51043 1 155 . GLY . 51043 1 156 . ILE . 51043 1 157 . HIS . 51043 1 158 . ILE . 51043 1 159 . ILE . 51043 1 160 . LEU . 51043 1 161 . ARG . 51043 1 162 . THR . 51043 1 163 . GLU . 51043 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 51043 1 . ALA 2 2 51043 1 . ASP 3 3 51043 1 . GLU 4 4 51043 1 . GLU 5 5 51043 1 . LYS 6 6 51043 1 . LEU 7 7 51043 1 . PRO 8 8 51043 1 . PRO 9 9 51043 1 . GLY 10 10 51043 1 . TRP 11 11 51043 1 . GLU 12 12 51043 1 . LYS 13 13 51043 1 . ARG 14 14 51043 1 . MET 15 15 51043 1 . SER 16 16 51043 1 . ARG 17 17 51043 1 . SER 18 18 51043 1 . SER 19 19 51043 1 . GLY 20 20 51043 1 . ARG 21 21 51043 1 . VAL 22 22 51043 1 . TYR 23 23 51043 1 . TYR 24 24 51043 1 . PHE 25 25 51043 1 . ASN 26 26 51043 1 . HIS 27 27 51043 1 . ILE 28 28 51043 1 . THR 29 29 51043 1 . ASN 30 30 51043 1 . ALA 31 31 51043 1 . SER 32 32 51043 1 . GLN 33 33 51043 1 . TRP 34 34 51043 1 . GLU 35 35 51043 1 . ARG 36 36 51043 1 . PRO 37 37 51043 1 . SER 38 38 51043 1 . GLY 39 39 51043 1 . ASN 40 40 51043 1 . SER 41 41 51043 1 . SER 42 42 51043 1 . SER 43 43 51043 1 . GLY 44 44 51043 1 . GLY 45 45 51043 1 . LYS 46 46 51043 1 . ASN 47 47 51043 1 . GLY 48 48 51043 1 . GLN 49 49 51043 1 . GLY 50 50 51043 1 . GLU 51 51 51043 1 . PRO 52 52 51043 1 . ALA 53 53 51043 1 . ARG 54 54 51043 1 . VAL 55 55 51043 1 . ARG 56 56 51043 1 . CYS 57 57 51043 1 . SER 58 58 51043 1 . HIS 59 59 51043 1 . LEU 60 60 51043 1 . LEU 61 61 51043 1 . VAL 62 62 51043 1 . LYS 63 63 51043 1 . HIS 64 64 51043 1 . SER 65 65 51043 1 . GLN 66 66 51043 1 . SER 67 67 51043 1 . ARG 68 68 51043 1 . ARG 69 69 51043 1 . PRO 70 70 51043 1 . SER 71 71 51043 1 . SER 72 72 51043 1 . TRP 73 73 51043 1 . ARG 74 74 51043 1 . GLN 75 75 51043 1 . GLU 76 76 51043 1 . LYS 77 77 51043 1 . ILE 78 78 51043 1 . THR 79 79 51043 1 . ARG 80 80 51043 1 . THR 81 81 51043 1 . LYS 82 82 51043 1 . GLU 83 83 51043 1 . GLU 84 84 51043 1 . ALA 85 85 51043 1 . LEU 86 86 51043 1 . GLU 87 87 51043 1 . LEU 88 88 51043 1 . ILE 89 89 51043 1 . ASN 90 90 51043 1 . GLY 91 91 51043 1 . TYR 92 92 51043 1 . ILE 93 93 51043 1 . GLN 94 94 51043 1 . LYS 95 95 51043 1 . ILE 96 96 51043 1 . LYS 97 97 51043 1 . SER 98 98 51043 1 . GLY 99 99 51043 1 . GLU 100 100 51043 1 . GLU 101 101 51043 1 . ASP 102 102 51043 1 . PHE 103 103 51043 1 . GLU 104 104 51043 1 . SER 105 105 51043 1 . LEU 106 106 51043 1 . ALA 107 107 51043 1 . SER 108 108 51043 1 . GLN 109 109 51043 1 . PHE 110 110 51043 1 . SER 111 111 51043 1 . ASP 112 112 51043 1 . CYS 113 113 51043 1 . SER 114 114 51043 1 . SER 115 115 51043 1 . ALA 116 116 51043 1 . LYS 117 117 51043 1 . ALA 118 118 51043 1 . ARG 119 119 51043 1 . GLY 120 120 51043 1 . ASP 121 121 51043 1 . LEU 122 122 51043 1 . GLY 123 123 51043 1 . ALA 124 124 51043 1 . PHE 125 125 51043 1 . SER 126 126 51043 1 . ARG 127 127 51043 1 . GLY 128 128 51043 1 . GLN 129 129 51043 1 . MET 130 130 51043 1 . GLN 131 131 51043 1 . LYS 132 132 51043 1 . PRO 133 133 51043 1 . PHE 134 134 51043 1 . GLU 135 135 51043 1 . ASP 136 136 51043 1 . ALA 137 137 51043 1 . SER 138 138 51043 1 . PHE 139 139 51043 1 . ALA 140 140 51043 1 . LEU 141 141 51043 1 . ARG 142 142 51043 1 . THR 143 143 51043 1 . GLY 144 144 51043 1 . GLU 145 145 51043 1 . MET 146 146 51043 1 . SER 147 147 51043 1 . GLY 148 148 51043 1 . PRO 149 149 51043 1 . VAL 150 150 51043 1 . PHE 151 151 51043 1 . THR 152 152 51043 1 . ASP 153 153 51043 1 . SER 154 154 51043 1 . GLY 155 155 51043 1 . ILE 156 156 51043 1 . HIS 157 157 51043 1 . ILE 158 158 51043 1 . ILE 159 159 51043 1 . LEU 160 160 51043 1 . ARG 161 161 51043 1 . THR 162 162 51043 1 . GLU 163 163 51043 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 51043 _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 ; FFXPR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'phosphorylated serine (pS) at position X' _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 5 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 774 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Both trans and cis proline states exist' _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 . PHE . 51043 2 2 . PHE . 51043 2 3 . SEP . 51043 2 4 . PRO . 51043 2 5 . ARG . 51043 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 . PHE 1 1 51043 2 . PHE 2 2 51043 2 . SEP 3 3 51043 2 . PRO 4 4 51043 2 . ARG 5 5 51043 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 51043 _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 . . . . . . . . . . . . . 51043 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 51043 _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 . . . 51043 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . plasmid . . . . . 'Fmoc solid phase synthesis' 51043 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SEP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SEP _Chem_comp.Entry_ID 51043 _Chem_comp.ID SEP _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOSERINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code SEP _Chem_comp.PDB_code SEP _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 S _Chem_comp.Three_letter_code SEP _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 11 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/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 SER _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 PHOSPHONOSERINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C3 H8 N O6 P' _Chem_comp.Formula_weight 185.072 _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 1BX6 _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 BZQFBWGGLXLEPQ-REOHCLBHSA-N InChIKey InChI 1.03 51043 SEP C(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 51043 SEP C([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51043 SEP InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 InChI InChI 1.03 51043 SEP N[C@@H](CO[P](O)(O)=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 51043 SEP N[CH](CO[P](O)(O)=O)C(O)=O SMILES CACTVS 3.341 51043 SEP O=P(O)(O)OCC(C(=O)O)N SMILES ACDLabs 10.04 51043 SEP 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)-2-amino-3-phosphonooxy-propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51043 SEP O-phosphono-L-serine 'SYSTEMATIC NAME' ACDLabs 10.04 51043 SEP 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 . . . . 12.751 . 44.134 . -4.949 . 1.855 0.421 1.751 1 . 51043 SEP CA CA CA CA . C . . S 0 . . . 1 N N . . . . 12.373 . 44.600 . -6.265 . 0.401 0.620 1.687 2 . 51043 SEP CB CB CB CB . C . . N 0 . . . 1 N N . . . . 11.077 . 45.353 . -6.305 . -0.139 0.015 0.391 3 . 51043 SEP OG OG OG OG . O . . N 0 . . . 1 N N . . . . 10.895 . 45.809 . -7.608 . 0.477 0.655 -0.727 4 . 51043 SEP C C C C . C . . N 0 . . . 1 N N . . . . 13.435 . 45.364 . -6.941 . -0.249 -0.053 2.867 5 . 51043 SEP O O O O . O . . N 0 . . . 1 N N . . . . 14.373 . 45.871 . -6.303 . 0.254 -1.038 3.354 6 . 51043 SEP OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 13.281 . 45.410 . -8.244 . -1.389 0.439 3.377 7 . 51043 SEP P P P P . P . . N 0 . . . 1 N N . . . . 9.607 . 45.328 . -8.384 . -0.135 -0.027 -2.050 8 . 51043 SEP O1P O1P O1P O1P . O . . N 0 . . . 1 N N . . . . 9.500 . 46.086 . -9.633 . -1.601 0.172 -2.074 9 . 51043 SEP O2P O2P O2P O2P . O . . N 0 . . . 1 N N . . . . 9.829 . 43.907 . -8.669 . 0.520 0.649 -3.356 10 . 51043 SEP O3P O3P O3P O3P . O . . N 0 . . . 1 N N . . . . 8.402 . 45.541 . -7.535 . 0.191 -1.603 -2.041 11 . 51043 SEP H H H H . H . . N 0 . . . 1 N N . . . . 13.632 . 43.621 . -4.921 . 2.237 0.796 0.895 12 . 51043 SEP H2 H2 H2 2HN . H . . N 0 . . . 1 N Y . . . . 12.001 . 43.575 . -4.540 . 2.013 -0.574 1.727 13 . 51043 SEP HA HA HA HA . H . . N 0 . . . 1 N N . . . . 12.213 . 43.656 . -6.837 . 0.179 1.687 1.711 14 . 51043 SEP HB2 HB2 HB2 1HB . H . . N 0 . . . 1 N N . . . . 10.214 . 44.753 . -5.930 . 0.082 -1.051 0.367 15 . 51043 SEP HB3 HB3 HB3 2HB . H . . N 0 . . . 1 N N . . . . 11.026 . 46.170 . -5.548 . -1.218 0.163 0.344 16 . 51043 SEP HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 13.966 . 45.902 . -8.680 . -1.807 0.006 4.134 17 . 51043 SEP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 N N . . . . 9.054 . 43.617 . -9.135 . 0.127 0.212 -4.124 18 . 51043 SEP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 N N . . . . 7.627 . 45.251 . -8.001 . 1.154 -1.689 -2.025 19 . 51043 SEP 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 . 51043 SEP 2 . SING N H N N 2 . 51043 SEP 3 . SING N H2 N N 3 . 51043 SEP 4 . SING CA CB N N 4 . 51043 SEP 5 . SING CA C N N 5 . 51043 SEP 6 . SING CA HA N N 6 . 51043 SEP 7 . SING CB OG N N 7 . 51043 SEP 8 . SING CB HB2 N N 8 . 51043 SEP 9 . SING CB HB3 N N 9 . 51043 SEP 10 . SING OG P N N 10 . 51043 SEP 11 . DOUB C O N N 11 . 51043 SEP 12 . SING C OXT N N 12 . 51043 SEP 13 . SING OXT HXT N N 13 . 51043 SEP 14 . DOUB P O1P N N 14 . 51043 SEP 15 . SING P O2P N N 15 . 51043 SEP 16 . SING P O3P N N 16 . 51043 SEP 17 . SING O2P HOP2 N N 17 . 51043 SEP 18 . SING O3P HOP3 N N 18 . 51043 SEP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51043 _Sample.ID 1 _Sample.Name 'Pin1 with 5x FFpSPR' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 . . 600 . . uM . . . . 51043 1 2 FFpSPR 'natural abundance' . . 2 $entity_2 . . 3.6 . . mM . . . . 51043 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 51043 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51043 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51043 1 6 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 51043 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 51043 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'NMR Buffer' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 51043 1 pH 6.5 . pH 51043 1 pressure 1 . atm 51043 1 temperature 298 . K 51043 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51043 _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' . 51043 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 51043 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian 900 MHz cryoprobe' _NMR_spectrometer.Details . _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 51043 _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 . . . . . . . . . . . . . . . . . 51043 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51043 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51043 1 4 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51043 1 5 '3D 13C-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51043 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 51043 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'References Pin1 with FFpSPR' _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 'methyl carbons' . . . . ppm 0 na direct 1 . . . . . 51043 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 51043 1 N 15 na nitrogen . . . . ppm 0 na direct 1 . . . . . 51043 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 51043 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Assigned chemical shifts of WT Pin1 with 5x FFpSPR' _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 1 '2D 1H-15N HSQC' . . . 51043 1 2 '2D 1H-13C HSQC aliphatic' . . . 51043 1 3 '2D 1H-13C HSQC aromatic' . . . 51043 1 4 '3D 15N-separated NOESY' . . . 51043 1 5 '3D 13C-separated NOESY' . . . 51043 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 . . 51043 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 4.391 0.013 . 1 . . . . . 1 M HA . 51043 1 2 . 1 . 1 1 1 MET HB2 H 1 2.030 0.007 . 2 . . . . . 1 M QB . 51043 1 3 . 1 . 1 1 1 MET HB3 H 1 2.030 0.007 . 2 . . . . . 1 M QB . 51043 1 4 . 1 . 1 1 1 MET HG2 H 1 2.468 0.019 . 2 . . . . . 1 M QG . 51043 1 5 . 1 . 1 1 1 MET HG3 H 1 2.468 0.019 . 2 . . . . . 1 M QG . 51043 1 6 . 1 . 1 1 1 MET CA C 13 55.438 0.064 . 1 . . . . . 1 M CA . 51043 1 7 . 1 . 1 1 1 MET CB C 13 32.798 0.097 . 1 . . . . . 1 M CB . 51043 1 8 . 1 . 1 1 1 MET CG C 13 31.860 0.033 . 1 . . . . . 1 M CG . 51043 1 9 . 1 . 1 2 2 ALA H H 1 8.346 0.008 . 1 . . . . . 2 A HN . 51043 1 10 . 1 . 1 2 2 ALA HA H 1 4.274 0.006 . 1 . . . . . 2 A HA . 51043 1 11 . 1 . 1 2 2 ALA HB1 H 1 1.372 0.005 . 1 . . . . . 2 A HB# . 51043 1 12 . 1 . 1 2 2 ALA HB2 H 1 1.372 0.005 . 1 . . . . . 2 A HB# . 51043 1 13 . 1 . 1 2 2 ALA HB3 H 1 1.372 0.005 . 1 . . . . . 2 A HB# . 51043 1 14 . 1 . 1 2 2 ALA CA C 13 52.510 0.027 . 1 . . . . . 2 A CA . 51043 1 15 . 1 . 1 2 2 ALA CB C 13 19.131 0.000 . 1 . . . . . 2 A CB . 51043 1 16 . 1 . 1 2 2 ALA N N 15 124.455 0.000 . 1 . . . . . 2 A N . 51043 1 17 . 1 . 1 3 3 ASP H H 1 8.278 0.004 . 1 . . . . . 3 D HN . 51043 1 18 . 1 . 1 3 3 ASP HA H 1 4.537 0.005 . 1 . . . . . 3 D HA . 51043 1 19 . 1 . 1 3 3 ASP HB2 H 1 2.610 0.006 . 2 . . . . . 3 D QB . 51043 1 20 . 1 . 1 3 3 ASP HB3 H 1 2.610 0.006 . 2 . . . . . 3 D QB . 51043 1 21 . 1 . 1 3 3 ASP CA C 13 54.491 0.024 . 1 . . . . . 3 D CA . 51043 1 22 . 1 . 1 3 3 ASP CB C 13 41.007 0.006 . 1 . . . . . 3 D CB . 51043 1 23 . 1 . 1 3 3 ASP N N 15 119.698 0.038 . 1 . . . . . 3 D N . 51043 1 24 . 1 . 1 4 4 GLU H H 1 8.318 0.003 . 1 . . . . . 4 E HN . 51043 1 25 . 1 . 1 4 4 GLU HA H 1 4.237 0.002 . 1 . . . . . 4 E HA . 51043 1 26 . 1 . 1 4 4 GLU HB2 H 1 2.032 0.008 . 2 . . . . . 4 E QB . 51043 1 27 . 1 . 1 4 4 GLU HB3 H 1 2.032 0.008 . 2 . . . . . 4 E QB . 51043 1 28 . 1 . 1 4 4 GLU CA C 13 56.555 0.000 . 1 . . . . . 4 E CA . 51043 1 29 . 1 . 1 4 4 GLU CB C 13 30.443 0.000 . 1 . . . . . 4 E CB . 51043 1 30 . 1 . 1 4 4 GLU N N 15 121.009 0.067 . 1 . . . . . 4 E N . 51043 1 31 . 1 . 1 5 5 GLU H H 1 8.334 0.009 . 1 . . . . . 5 E HN . 51043 1 32 . 1 . 1 5 5 GLU HA H 1 4.230 0.002 . 1 . . . . . 5 E HA . 51043 1 33 . 1 . 1 5 5 GLU HB2 H 1 2.021 0.019 . 2 . . . . . 5 E HB2 . 51043 1 34 . 1 . 1 5 5 GLU HB3 H 1 1.942 0.005 . 2 . . . . . 5 E HB3 . 51043 1 35 . 1 . 1 5 5 GLU CA C 13 56.469 0.000 . 1 . . . . . 5 E CA . 51043 1 36 . 1 . 1 5 5 GLU CB C 13 30.443 0.000 . 1 . . . . . 5 E CB . 51043 1 37 . 1 . 1 5 5 GLU N N 15 121.971 0.247 . 1 . . . . . 5 E N . 51043 1 38 . 1 . 1 6 6 LYS H H 1 8.273 0.005 . 1 . . . . . 6 K HN . 51043 1 39 . 1 . 1 6 6 LYS HA H 1 4.277 0.013 . 1 . . . . . 6 K HA . 51043 1 40 . 1 . 1 6 6 LYS HB2 H 1 1.804 0.009 . 2 . . . . . 6 K HB2 . 51043 1 41 . 1 . 1 6 6 LYS HB3 H 1 1.744 0.008 . 2 . . . . . 6 K HB3 . 51043 1 42 . 1 . 1 6 6 LYS HG2 H 1 1.431 0.015 . 2 . . . . . 6 K QG . 51043 1 43 . 1 . 1 6 6 LYS HG3 H 1 1.431 0.015 . 2 . . . . . 6 K QG . 51043 1 44 . 1 . 1 6 6 LYS HD2 H 1 1.652 0.010 . 2 . . . . . 6 K QD . 51043 1 45 . 1 . 1 6 6 LYS HD3 H 1 1.652 0.010 . 2 . . . . . 6 K QD . 51043 1 46 . 1 . 1 6 6 LYS HE2 H 1 2.967 0.006 . 1 . . . . . 6 K QE . 51043 1 47 . 1 . 1 6 6 LYS HE3 H 1 2.967 0.006 . 1 . . . . . 6 K QE . 51043 1 48 . 1 . 1 6 6 LYS CA C 13 56.282 0.064 . 1 . . . . . 6 K CA . 51043 1 49 . 1 . 1 6 6 LYS CB C 13 32.625 0.088 . 1 . . . . . 6 K CB . 51043 1 50 . 1 . 1 6 6 LYS CG C 13 24.544 0.067 . 1 . . . . . 6 K CG . 51043 1 51 . 1 . 1 6 6 LYS CD C 13 28.996 0.041 . 1 . . . . . 6 K CD . 51043 1 52 . 1 . 1 6 6 LYS CE C 13 42.299 0.000 . 1 . . . . . 6 K CE . 51043 1 53 . 1 . 1 6 6 LYS N N 15 124.052 0.466 . 1 . . . . . 6 K N . 51043 1 54 . 1 . 1 7 7 LEU H H 1 8.554 0.005 . 1 . . . . . 7 L HN . 51043 1 55 . 1 . 1 7 7 LEU HA H 1 4.594 0.012 . 1 . . . . . 7 L HA . 51043 1 56 . 1 . 1 7 7 LEU HB2 H 1 1.807 0.011 . 2 . . . . . 7 L HB2 . 51043 1 57 . 1 . 1 7 7 LEU HB3 H 1 1.396 0.010 . 2 . . . . . 7 L HB3 . 51043 1 58 . 1 . 1 7 7 LEU HG H 1 1.837 0.004 . 1 . . . . . 7 L HG . 51043 1 59 . 1 . 1 7 7 LEU HD11 H 1 1.062 0.011 . 1 . . . . . 7 L QD1 . 51043 1 60 . 1 . 1 7 7 LEU HD12 H 1 1.062 0.011 . 1 . . . . . 7 L QD1 . 51043 1 61 . 1 . 1 7 7 LEU HD13 H 1 1.062 0.011 . 1 . . . . . 7 L QD1 . 51043 1 62 . 1 . 1 7 7 LEU HD21 H 1 0.773 0.008 . 1 . . . . . 7 L QD2 . 51043 1 63 . 1 . 1 7 7 LEU HD22 H 1 0.773 0.008 . 1 . . . . . 7 L QD2 . 51043 1 64 . 1 . 1 7 7 LEU HD23 H 1 0.773 0.008 . 1 . . . . . 7 L QD2 . 51043 1 65 . 1 . 1 7 7 LEU CB C 13 42.012 0.027 . 1 . . . . . 7 L CB . 51043 1 66 . 1 . 1 7 7 LEU CG C 13 27.417 0.000 . 1 . . . . . 7 L CG . 51043 1 67 . 1 . 1 7 7 LEU CD1 C 13 26.216 0.051 . 1 . . . . . 7 L CD1 . 51043 1 68 . 1 . 1 7 7 LEU CD2 C 13 23.580 0.033 . 1 . . . . . 7 L CD2 . 51043 1 69 . 1 . 1 7 7 LEU N N 15 125.082 0.026 . 1 . . . . . 7 L N . 51043 1 70 . 1 . 1 8 8 PRO HB2 H 1 2.019 0.008 . 1 . . . . . 8 P HB2 . 51043 1 71 . 1 . 1 8 8 PRO HB3 H 1 2.567 0.010 . 1 . . . . . 8 P HB3 . 51043 1 72 . 1 . 1 8 8 PRO HG2 H 1 1.641 0.008 . 2 . . . . . 8 P HG2 . 51043 1 73 . 1 . 1 8 8 PRO HG3 H 1 1.776 0.005 . 2 . . . . . 8 P HG3 . 51043 1 74 . 1 . 1 8 8 PRO HD2 H 1 3.670 0.008 . 2 . . . . . 8 P HD2 . 51043 1 75 . 1 . 1 8 8 PRO HD3 H 1 3.006 0.011 . 2 . . . . . 8 P HD3 . 51043 1 76 . 1 . 1 8 8 PRO CB C 13 29.623 0.028 . 1 . . . . . 8 P CB . 51043 1 77 . 1 . 1 8 8 PRO CG C 13 27.331 0.013 . 1 . . . . . 8 P CG . 51043 1 78 . 1 . 1 8 8 PRO CD C 13 50.183 0.047 . 1 . . . . . 8 P CD . 51043 1 79 . 1 . 1 9 9 PRO HA H 1 4.352 0.008 . 1 . . . . . 9 P HA . 51043 1 80 . 1 . 1 9 9 PRO HB2 H 1 2.332 0.008 . 2 . . . . . 9 P HB2 . 51043 1 81 . 1 . 1 9 9 PRO HB3 H 1 1.868 0.013 . 2 . . . . . 9 P HB3 . 51043 1 82 . 1 . 1 9 9 PRO HG2 H 1 2.044 0.016 . 2 . . . . . 9 P HG2 . 51043 1 83 . 1 . 1 9 9 PRO HG3 H 1 2.146 0.011 . 2 . . . . . 9 P HG3 . 51043 1 84 . 1 . 1 9 9 PRO HD2 H 1 3.902 0.012 . 1 . . . . . 9 P HD2 . 51043 1 85 . 1 . 1 9 9 PRO HD3 H 1 3.627 0.008 . 1 . . . . . 9 P HD3 . 51043 1 86 . 1 . 1 9 9 PRO CA C 13 64.261 0.009 . 1 . . . . . 9 P CA . 51043 1 87 . 1 . 1 9 9 PRO CB C 13 31.981 0.053 . 1 . . . . . 9 P CB . 51043 1 88 . 1 . 1 9 9 PRO CG C 13 27.621 0.021 . 1 . . . . . 9 P CG . 51043 1 89 . 1 . 1 9 9 PRO CD C 13 50.482 0.053 . 1 . . . . . 9 P CD . 51043 1 90 . 1 . 1 10 10 GLY H H 1 8.746 0.007 . 1 . . . . . 10 G HN . 51043 1 91 . 1 . 1 10 10 GLY HA2 H 1 3.220 0.010 . 1 . . . . . 10 G HA1 . 51043 1 92 . 1 . 1 10 10 GLY HA3 H 1 3.984 0.014 . 1 . . . . . 10 G HA2 . 51043 1 93 . 1 . 1 10 10 GLY CA C 13 44.844 0.061 . 1 . . . . . 10 G CA . 51043 1 94 . 1 . 1 10 10 GLY N N 15 112.000 0.060 . 1 . . . . . 10 G N . 51043 1 95 . 1 . 1 11 11 TRP H H 1 7.391 0.007 . 1 . . . . . 11 W HN . 51043 1 96 . 1 . 1 11 11 TRP HA H 1 5.225 0.011 . 1 . . . . . 11 W HA . 51043 1 97 . 1 . 1 11 11 TRP HB2 H 1 3.239 0.011 . 1 . . . . . 11 W HB2 . 51043 1 98 . 1 . 1 11 11 TRP HB3 H 1 2.953 0.010 . 1 . . . . . 11 W HB3 . 51043 1 99 . 1 . 1 11 11 TRP HD1 H 1 6.965 0.014 . 1 . . . . . 11 W HD1 . 51043 1 100 . 1 . 1 11 11 TRP HE1 H 1 10.486 0.001 . 1 . . . . . 11 W HE1 . 51043 1 101 . 1 . 1 11 11 TRP HE3 H 1 7.366 0.010 . 1 . . . . . 11 W HE3 . 51043 1 102 . 1 . 1 11 11 TRP HZ2 H 1 7.432 0.019 . 1 . . . . . 11 W HZ2 . 51043 1 103 . 1 . 1 11 11 TRP HZ3 H 1 6.886 0.018 . 1 . . . . . 11 W HZ3 . 51043 1 104 . 1 . 1 11 11 TRP HH2 H 1 6.969 0.007 . 1 . . . . . 11 W HH2 . 51043 1 105 . 1 . 1 11 11 TRP CA C 13 57.234 0.156 . 1 . . . . . 11 W CA . 51043 1 106 . 1 . 1 11 11 TRP CB C 13 32.187 0.036 . 1 . . . . . 11 W CB . 51043 1 107 . 1 . 1 11 11 TRP CD1 C 13 127.756 0.000 . 1 . . . . . 11 W CD1 . 51043 1 108 . 1 . 1 11 11 TRP CE3 C 13 120.286 0.000 . 1 . . . . . 11 W CE3 . 51043 1 109 . 1 . 1 11 11 TRP CZ2 C 13 115.220 0.000 . 1 . . . . . 11 W CZ2 . 51043 1 110 . 1 . 1 11 11 TRP CZ3 C 13 122.880 0.000 . 1 . . . . . 11 W CZ3 . 51043 1 111 . 1 . 1 11 11 TRP CH2 C 13 125.237 0.000 . 1 . . . . . 11 W CH2 . 51043 1 112 . 1 . 1 11 11 TRP N N 15 117.381 0.059 . 1 . . . . . 11 W N . 51043 1 113 . 1 . 1 11 11 TRP NE1 N 15 129.194 0.000 . 1 . . . . . 11 W NE1 . 51043 1 114 . 1 . 1 12 12 GLU H H 1 9.769 0.001 . 1 . . . . . 12 E HN . 51043 1 115 . 1 . 1 12 12 GLU HA H 1 4.838 0.003 . 1 . . . . . 12 E HA . 51043 1 116 . 1 . 1 12 12 GLU HB2 H 1 2.173 0.003 . 2 . . . . . 12 E HB2 . 51043 1 117 . 1 . 1 12 12 GLU HB3 H 1 2.224 0.011 . 2 . . . . . 12 E HB3 . 51043 1 118 . 1 . 1 12 12 GLU HG2 H 1 2.522 0.009 . 1 . . . . . 12 E HG2 . 51043 1 119 . 1 . 1 12 12 GLU HG3 H 1 2.261 0.008 . 1 . . . . . 12 E HG3 . 51043 1 120 . 1 . 1 12 12 GLU CA C 13 54.738 0.000 . 1 . . . . . 12 E CA . 51043 1 121 . 1 . 1 12 12 GLU CB C 13 34.415 0.003 . 1 . . . . . 12 E CB . 51043 1 122 . 1 . 1 12 12 GLU CG C 13 36.372 0.111 . 1 . . . . . 12 E CG . 51043 1 123 . 1 . 1 12 12 GLU N N 15 120.650 0.046 . 1 . . . . . 12 E N . 51043 1 124 . 1 . 1 13 13 LYS H H 1 8.825 0.008 . 1 . . . . . 13 K HN . 51043 1 125 . 1 . 1 13 13 LYS HA H 1 4.519 0.021 . 1 . . . . . 13 K HA . 51043 1 126 . 1 . 1 13 13 LYS HB2 H 1 1.592 0.007 . 2 . . . . . 13 K HB2 . 51043 1 127 . 1 . 1 13 13 LYS HB3 H 1 1.690 0.007 . 2 . . . . . 13 K HB3 . 51043 1 128 . 1 . 1 13 13 LYS HG2 H 1 1.113 0.009 . 2 . . . . . 13 K QG . 51043 1 129 . 1 . 1 13 13 LYS HG3 H 1 1.113 0.009 . 2 . . . . . 13 K QG . 51043 1 130 . 1 . 1 13 13 LYS HD2 H 1 1.671 0.009 . 2 . . . . . 13 K HD2 . 51043 1 131 . 1 . 1 13 13 LYS HD3 H 1 1.700 0.004 . 2 . . . . . 13 K HD3 . 51043 1 132 . 1 . 1 13 13 LYS HE2 H 1 2.929 0.006 . 2 . . . . . 13 K QE . 51043 1 133 . 1 . 1 13 13 LYS HE3 H 1 2.929 0.006 . 2 . . . . . 13 K QE . 51043 1 134 . 1 . 1 13 13 LYS CA C 13 55.720 0.077 . 1 . . . . . 13 K CA . 51043 1 135 . 1 . 1 13 13 LYS CB C 13 34.046 0.071 . 1 . . . . . 13 K CB . 51043 1 136 . 1 . 1 13 13 LYS CG C 13 25.196 0.032 . 1 . . . . . 13 K CG . 51043 1 137 . 1 . 1 13 13 LYS CD C 13 29.944 0.059 . 1 . . . . . 13 K CD . 51043 1 138 . 1 . 1 13 13 LYS CE C 13 41.903 0.049 . 1 . . . . . 13 K CE . 51043 1 139 . 1 . 1 13 13 LYS N N 15 124.542 0.032 . 1 . . . . . 13 K N . 51043 1 140 . 1 . 1 14 14 ARG H H 1 8.717 0.007 . 1 . . . . . 14 R HN . 51043 1 141 . 1 . 1 14 14 ARG HA H 1 4.341 0.005 . 1 . . . . . 14 R HA . 51043 1 142 . 1 . 1 14 14 ARG HB2 H 1 0.032 0.006 . 1 . . . . . 14 R HB2 . 51043 1 143 . 1 . 1 14 14 ARG HB3 H 1 1.208 0.012 . 1 . . . . . 14 R HB3 . 51043 1 144 . 1 . 1 14 14 ARG HG2 H 1 1.139 0.009 . 2 . . . . . 14 R HG2 . 51043 1 145 . 1 . 1 14 14 ARG HG3 H 1 1.279 0.014 . 2 . . . . . 14 R HG3 . 51043 1 146 . 1 . 1 14 14 ARG HD2 H 1 2.766 0.008 . 2 . . . . . 14 R HD2 . 51043 1 147 . 1 . 1 14 14 ARG HD3 H 1 2.605 0.006 . 2 . . . . . 14 R HD3 . 51043 1 148 . 1 . 1 14 14 ARG CA C 13 53.966 0.020 . 1 . . . . . 14 R CA . 51043 1 149 . 1 . 1 14 14 ARG CB C 13 34.243 0.031 . 1 . . . . . 14 R CB . 51043 1 150 . 1 . 1 14 14 ARG CG C 13 27.718 0.085 . 1 . . . . . 14 R CG . 51043 1 151 . 1 . 1 14 14 ARG CD C 13 43.184 0.078 . 1 . . . . . 14 R CD . 51043 1 152 . 1 . 1 14 14 ARG N N 15 126.392 0.000 . 1 . . . . . 14 R N . 51043 1 153 . 1 . 1 15 15 MET H H 1 8.126 0.007 . 1 . . . . . 15 M HN . 51043 1 154 . 1 . 1 15 15 MET HA H 1 4.914 0.007 . 1 . . . . . 15 M HA . 51043 1 155 . 1 . 1 15 15 MET HB2 H 1 1.807 0.006 . 2 . . . . . 15 M QB . 51043 1 156 . 1 . 1 15 15 MET HB3 H 1 1.807 0.006 . 2 . . . . . 15 M QB . 51043 1 157 . 1 . 1 15 15 MET HG2 H 1 2.419 0.006 . 2 . . . . . 15 M HG2 . 51043 1 158 . 1 . 1 15 15 MET HG3 H 1 2.277 0.010 . 2 . . . . . 15 M HG3 . 51043 1 159 . 1 . 1 15 15 MET HE1 H 1 1.988 0.000 . 1 . . . . . 15 M HE# . 51043 1 160 . 1 . 1 15 15 MET HE2 H 1 1.988 0.000 . 1 . . . . . 15 M HE# . 51043 1 161 . 1 . 1 15 15 MET HE3 H 1 1.988 0.000 . 1 . . . . . 15 M HE# . 51043 1 162 . 1 . 1 15 15 MET CA C 13 53.644 0.008 . 1 . . . . . 15 M CA . 51043 1 163 . 1 . 1 15 15 MET CB C 13 34.192 0.048 . 1 . . . . . 15 M CB . 51043 1 164 . 1 . 1 15 15 MET CG C 13 31.750 0.025 . 1 . . . . . 15 M CG . 51043 1 165 . 1 . 1 15 15 MET CE C 13 16.855 0.000 . 1 . . . . . 15 M CE . 51043 1 166 . 1 . 1 15 15 MET N N 15 117.098 0.090 . 1 . . . . . 15 M N . 51043 1 167 . 1 . 1 16 16 SER H H 1 9.150 0.009 . 1 . . . . . 16 S HN . 51043 1 168 . 1 . 1 16 16 SER HA H 1 4.921 0.000 . 1 . . . . . 16 S HA . 51043 1 169 . 1 . 1 16 16 SER HB2 H 1 4.237 0.008 . 1 . . . . . 16 S QB . 51043 1 170 . 1 . 1 16 16 SER HB3 H 1 4.237 0.008 . 1 . . . . . 16 S QB . 51043 1 171 . 1 . 1 16 16 SER CB C 13 63.073 0.000 . 1 . . . . . 16 S CB . 51043 1 172 . 1 . 1 16 16 SER N N 15 121.262 0.065 . 1 . . . . . 16 S N . 51043 1 173 . 1 . 1 17 17 ARG HA H 1 4.096 0.007 . 1 . . . . . 17 R HA . 51043 1 174 . 1 . 1 17 17 ARG HB2 H 1 1.928 0.014 . 2 . . . . . 17 R QB . 51043 1 175 . 1 . 1 17 17 ARG HB3 H 1 1.928 0.014 . 2 . . . . . 17 R QB . 51043 1 176 . 1 . 1 17 17 ARG HG2 H 1 1.791 0.005 . 1 . . . . . 17 R HG2 . 51043 1 177 . 1 . 1 17 17 ARG HG3 H 1 1.797 0.007 . 1 . . . . . 17 R HG3 . 51043 1 178 . 1 . 1 17 17 ARG HD2 H 1 3.077 0.009 . 2 . . . . . 17 R QD . 51043 1 179 . 1 . 1 17 17 ARG HD3 H 1 3.077 0.009 . 2 . . . . . 17 R QD . 51043 1 180 . 1 . 1 17 17 ARG CA C 13 58.326 0.062 . 1 . . . . . 17 R CA . 51043 1 181 . 1 . 1 17 17 ARG CG C 13 26.747 0.098 . 1 . . . . . 17 R CG . 51043 1 182 . 1 . 1 17 17 ARG CD C 13 42.783 0.000 . 1 . . . . . 17 R CD . 51043 1 183 . 1 . 1 18 18 SER H H 1 8.657 0.004 . 1 . . . . . 18 S HN . 51043 1 184 . 1 . 1 18 18 SER HA H 1 4.349 0.014 . 1 . . . . . 18 S HA . 51043 1 185 . 1 . 1 18 18 SER HB2 H 1 3.898 0.005 . 1 . . . . . 18 S QB . 51043 1 186 . 1 . 1 18 18 SER HB3 H 1 3.898 0.005 . 1 . . . . . 18 S QB . 51043 1 187 . 1 . 1 18 18 SER CA C 13 60.095 0.002 . 1 . . . . . 18 S CA . 51043 1 188 . 1 . 1 18 18 SER CB C 13 63.184 0.024 . 1 . . . . . 18 S CB . 51043 1 189 . 1 . 1 18 18 SER N N 15 113.172 0.100 . 1 . . . . . 18 S N . 51043 1 190 . 1 . 1 20 20 GLY H H 1 7.978 0.004 . 1 . . . . . 20 G HN . 51043 1 191 . 1 . 1 20 20 GLY HA2 H 1 4.106 0.007 . 2 . . . . . 20 G HA1 . 51043 1 192 . 1 . 1 20 20 GLY HA3 H 1 3.925 0.010 . 2 . . . . . 20 G HA2 . 51043 1 193 . 1 . 1 20 20 GLY CA C 13 46.222 0.053 . 1 . . . . . 20 G CA . 51043 1 194 . 1 . 1 20 20 GLY N N 15 112.268 0.060 . 1 . . . . . 20 G N . 51043 1 195 . 1 . 1 21 21 ARG H H 1 7.505 0.008 . 1 . . . . . 21 R HN . 51043 1 196 . 1 . 1 21 21 ARG HA H 1 4.424 0.012 . 1 . . . . . 21 R HA . 51043 1 197 . 1 . 1 21 21 ARG HB2 H 1 1.704 0.010 . 2 . . . . . 21 R HB2 . 51043 1 198 . 1 . 1 21 21 ARG HB3 H 1 1.904 0.008 . 2 . . . . . 21 R HB3 . 51043 1 199 . 1 . 1 21 21 ARG HG2 H 1 1.719 0.006 . 2 . . . . . 21 R HG2 . 51043 1 200 . 1 . 1 21 21 ARG HG3 H 1 1.602 0.007 . 2 . . . . . 21 R HG3 . 51043 1 201 . 1 . 1 21 21 ARG HD2 H 1 2.729 0.006 . 1 . . . . . 21 R HD2 . 51043 1 202 . 1 . 1 21 21 ARG HD3 H 1 2.322 0.009 . 1 . . . . . 21 R HD3 . 51043 1 203 . 1 . 1 21 21 ARG CA C 13 55.815 0.044 . 1 . . . . . 21 R CA . 51043 1 204 . 1 . 1 21 21 ARG CB C 13 32.897 0.071 . 1 . . . . . 21 R CB . 51043 1 205 . 1 . 1 21 21 ARG CG C 13 26.815 0.048 . 1 . . . . . 21 R CG . 51043 1 206 . 1 . 1 21 21 ARG CD C 13 43.318 0.031 . 1 . . . . . 21 R CD . 51043 1 207 . 1 . 1 21 21 ARG N N 15 119.241 0.061 . 1 . . . . . 21 R N . 51043 1 208 . 1 . 1 22 22 VAL H H 1 8.483 0.006 . 1 . . . . . 22 V HN . 51043 1 209 . 1 . 1 22 22 VAL HA H 1 4.661 0.013 . 1 . . . . . 22 V HA . 51043 1 210 . 1 . 1 22 22 VAL HB H 1 1.959 0.009 . 1 . . . . . 22 V HB . 51043 1 211 . 1 . 1 22 22 VAL HG11 H 1 0.783 0.015 . 1 . . . . . 22 V QG1 . 51043 1 212 . 1 . 1 22 22 VAL HG12 H 1 0.783 0.015 . 1 . . . . . 22 V QG1 . 51043 1 213 . 1 . 1 22 22 VAL HG13 H 1 0.783 0.015 . 1 . . . . . 22 V QG1 . 51043 1 214 . 1 . 1 22 22 VAL HG21 H 1 1.019 0.009 . 1 . . . . . 22 V QG2 . 51043 1 215 . 1 . 1 22 22 VAL HG22 H 1 1.019 0.009 . 1 . . . . . 22 V QG2 . 51043 1 216 . 1 . 1 22 22 VAL HG23 H 1 1.019 0.009 . 1 . . . . . 22 V QG2 . 51043 1 217 . 1 . 1 22 22 VAL CA C 13 62.284 0.014 . 1 . . . . . 22 V CA . 51043 1 218 . 1 . 1 22 22 VAL CB C 13 32.966 0.046 . 1 . . . . . 22 V CB . 51043 1 219 . 1 . 1 22 22 VAL CG1 C 13 21.482 0.010 . 1 . . . . . 22 V CG1 . 51043 1 220 . 1 . 1 22 22 VAL CG2 C 13 22.016 0.017 . 1 . . . . . 22 V CG2 . 51043 1 221 . 1 . 1 22 22 VAL N N 15 124.823 0.040 . 1 . . . . . 22 V N . 51043 1 222 . 1 . 1 23 23 TYR H H 1 8.718 0.006 . 1 . . . . . 23 Y HN . 51043 1 223 . 1 . 1 23 23 TYR HA H 1 4.944 0.010 . 1 . . . . . 23 Y HA . 51043 1 224 . 1 . 1 23 23 TYR HB2 H 1 2.519 0.012 . 1 . . . . . 23 Y HB2 . 51043 1 225 . 1 . 1 23 23 TYR HB3 H 1 2.940 0.004 . 1 . . . . . 23 Y HB3 . 51043 1 226 . 1 . 1 23 23 TYR HD1 H 1 6.882 0.014 . 3 . . . . . 23 Y QD . 51043 1 227 . 1 . 1 23 23 TYR HD2 H 1 6.882 0.014 . 3 . . . . . 23 Y QD . 51043 1 228 . 1 . 1 23 23 TYR HE1 H 1 6.400 0.021 . 3 . . . . . 23 Y QE . 51043 1 229 . 1 . 1 23 23 TYR HE2 H 1 6.400 0.021 . 3 . . . . . 23 Y QE . 51043 1 230 . 1 . 1 23 23 TYR CA C 13 55.532 0.000 . 1 . . . . . 23 Y CA . 51043 1 231 . 1 . 1 23 23 TYR CB C 13 39.952 0.092 . 1 . . . . . 23 Y CB . 51043 1 232 . 1 . 1 23 23 TYR CD2 C 13 133.975 0.000 . 3 . . . . . 23 Y CD2 . 51043 1 233 . 1 . 1 23 23 TYR CE2 C 13 117.895 0.000 . 3 . . . . . 23 Y CE2 . 51043 1 234 . 1 . 1 23 23 TYR N N 15 121.450 0.007 . 1 . . . . . 23 Y N . 51043 1 235 . 1 . 1 24 24 TYR H H 1 8.977 0.030 . 1 . . . . . 24 Y HN . 51043 1 236 . 1 . 1 24 24 TYR HA H 1 5.275 0.010 . 1 . . . . . 24 Y HA . 51043 1 237 . 1 . 1 24 24 TYR HB2 H 1 2.695 0.020 . 1 . . . . . 24 Y HB2 . 51043 1 238 . 1 . 1 24 24 TYR HB3 H 1 2.913 0.011 . 1 . . . . . 24 Y HB3 . 51043 1 239 . 1 . 1 24 24 TYR HD1 H 1 6.823 0.015 . 3 . . . . . 24 Y QD . 51043 1 240 . 1 . 1 24 24 TYR HD2 H 1 6.823 0.015 . 3 . . . . . 24 Y QD . 51043 1 241 . 1 . 1 24 24 TYR HE1 H 1 6.741 0.014 . 3 . . . . . 24 Y QE . 51043 1 242 . 1 . 1 24 24 TYR HE2 H 1 6.741 0.014 . 3 . . . . . 24 Y QE . 51043 1 243 . 1 . 1 24 24 TYR CA C 13 57.001 0.029 . 1 . . . . . 24 Y CA . 51043 1 244 . 1 . 1 24 24 TYR CB C 13 41.224 0.034 . 1 . . . . . 24 Y CB . 51043 1 245 . 1 . 1 24 24 TYR CD1 C 13 133.947 0.000 . 3 . . . . . 24 Y CD1 . 51043 1 246 . 1 . 1 24 24 TYR CE1 C 13 117.223 0.000 . 3 . . . . . 24 Y CE1 . 51043 1 247 . 1 . 1 24 24 TYR N N 15 116.990 0.035 . 1 . . . . . 24 Y N . 51043 1 248 . 1 . 1 25 25 PHE H H 1 9.431 0.006 . 1 . . . . . 25 F HN . 51043 1 249 . 1 . 1 25 25 PHE HA H 1 5.632 0.012 . 1 . . . . . 25 F HA . 51043 1 250 . 1 . 1 25 25 PHE HB2 H 1 2.930 0.004 . 1 . . . . . 25 F HB2 . 51043 1 251 . 1 . 1 25 25 PHE HB3 H 1 2.596 0.020 . 1 . . . . . 25 F HB3 . 51043 1 252 . 1 . 1 25 25 PHE HD1 H 1 6.897 0.007 . 3 . . . . . 25 F QD . 51043 1 253 . 1 . 1 25 25 PHE HD2 H 1 6.897 0.007 . 3 . . . . . 25 F QD . 51043 1 254 . 1 . 1 25 25 PHE HE1 H 1 7.030 0.000 . 3 . . . . . 25 F QE . 51043 1 255 . 1 . 1 25 25 PHE HE2 H 1 7.030 0.000 . 3 . . . . . 25 F QE . 51043 1 256 . 1 . 1 25 25 PHE HZ H 1 7.376 0.001 . 1 . . . . . 25 F HZ . 51043 1 257 . 1 . 1 25 25 PHE CA C 13 55.679 0.031 . 1 . . . . . 25 F CA . 51043 1 258 . 1 . 1 25 25 PHE CB C 13 44.388 0.076 . 1 . . . . . 25 F CB . 51043 1 259 . 1 . 1 25 25 PHE CD1 C 13 131.399 0.000 . 3 . . . . . 25 F CD1 . 51043 1 260 . 1 . 1 25 25 PHE CE1 C 13 130.971 0.000 . 3 . . . . . 25 F CE1 . 51043 1 261 . 1 . 1 25 25 PHE CZ C 13 130.008 0.000 . 1 . . . . . 25 F CZ . 51043 1 262 . 1 . 1 25 25 PHE N N 15 125.095 0.024 . 1 . . . . . 25 F N . 51043 1 263 . 1 . 1 26 26 ASN H H 1 8.106 0.006 . 1 . . . . . 26 N HN . 51043 1 264 . 1 . 1 26 26 ASN HA H 1 4.402 0.005 . 1 . . . . . 26 N HA . 51043 1 265 . 1 . 1 26 26 ASN HB2 H 1 -0.711 0.009 . 1 . . . . . 26 N HB2 . 51043 1 266 . 1 . 1 26 26 ASN HB3 H 1 1.970 0.008 . 1 . . . . . 26 N HB3 . 51043 1 267 . 1 . 1 26 26 ASN HD21 H 1 6.422 0.007 . 1 . . . . . 26 N HD21 . 51043 1 268 . 1 . 1 26 26 ASN HD22 H 1 4.055 0.010 . 1 . . . . . 26 N HD22 . 51043 1 269 . 1 . 1 26 26 ASN CA C 13 50.478 0.036 . 1 . . . . . 26 N CA . 51043 1 270 . 1 . 1 26 26 ASN CB C 13 38.176 0.029 . 1 . . . . . 26 N CB . 51043 1 271 . 1 . 1 26 26 ASN N N 15 129.138 0.050 . 1 . . . . . 26 N N . 51043 1 272 . 1 . 1 26 26 ASN ND2 N 15 109.594 0.109 . 1 . . . . . 26 N ND2 . 51043 1 273 . 1 . 1 27 27 HIS H H 1 8.041 0.010 . 1 . . . . . 27 H HN . 51043 1 274 . 1 . 1 27 27 HIS HA H 1 4.163 0.013 . 1 . . . . . 27 H HA . 51043 1 275 . 1 . 1 27 27 HIS HB2 H 1 3.041 0.006 . 1 . . . . . 27 H HB2 . 51043 1 276 . 1 . 1 27 27 HIS HB3 H 1 3.341 0.006 . 1 . . . . . 27 H HB3 . 51043 1 277 . 1 . 1 27 27 HIS HD2 H 1 7.091 0.000 . 1 . . . . . 27 H HD2 . 51043 1 278 . 1 . 1 27 27 HIS CA C 13 57.204 0.029 . 1 . . . . . 27 H CA . 51043 1 279 . 1 . 1 27 27 HIS CB C 13 29.276 0.031 . 1 . . . . . 27 H CB . 51043 1 280 . 1 . 1 27 27 HIS CD2 C 13 120.545 0.000 . 1 . . . . . 27 H CD2 . 51043 1 281 . 1 . 1 27 27 HIS N N 15 120.521 0.515 . 1 . . . . . 27 H N . 51043 1 282 . 1 . 1 28 28 ILE H H 1 8.334 0.007 . 1 . . . . . 28 I HN . 51043 1 283 . 1 . 1 28 28 ILE HA H 1 3.858 0.019 . 1 . . . . . 28 I HA . 51043 1 284 . 1 . 1 28 28 ILE HB H 1 1.832 0.010 . 1 . . . . . 28 I HB . 51043 1 285 . 1 . 1 28 28 ILE HG12 H 1 0.904 0.010 . 1 . . . . . 28 I HG12 . 51043 1 286 . 1 . 1 28 28 ILE HG13 H 1 1.215 0.009 . 1 . . . . . 28 I HG13 . 51043 1 287 . 1 . 1 28 28 ILE HG21 H 1 0.708 0.005 . 1 . . . . . 28 I QG2 . 51043 1 288 . 1 . 1 28 28 ILE HG22 H 1 0.708 0.005 . 1 . . . . . 28 I QG2 . 51043 1 289 . 1 . 1 28 28 ILE HG23 H 1 0.708 0.005 . 1 . . . . . 28 I QG2 . 51043 1 290 . 1 . 1 28 28 ILE HD11 H 1 0.694 0.005 . 1 . . . . . 28 I QD1 . 51043 1 291 . 1 . 1 28 28 ILE HD12 H 1 0.694 0.005 . 1 . . . . . 28 I QD1 . 51043 1 292 . 1 . 1 28 28 ILE HD13 H 1 0.694 0.005 . 1 . . . . . 28 I QD1 . 51043 1 293 . 1 . 1 28 28 ILE CA C 13 63.179 0.047 . 1 . . . . . 28 I CA . 51043 1 294 . 1 . 1 28 28 ILE CB C 13 37.392 0.036 . 1 . . . . . 28 I CB . 51043 1 295 . 1 . 1 28 28 ILE CG1 C 13 27.714 0.028 . 1 . . . . . 28 I CG1 . 51043 1 296 . 1 . 1 28 28 ILE CG2 C 13 17.272 0.033 . 1 . . . . . 28 I CG2 . 51043 1 297 . 1 . 1 28 28 ILE CD1 C 13 12.306 0.036 . 1 . . . . . 28 I CD1 . 51043 1 298 . 1 . 1 28 28 ILE N N 15 121.676 0.015 . 1 . . . . . 28 I N . 51043 1 299 . 1 . 1 29 29 THR H H 1 7.341 0.018 . 1 . . . . . 29 T HN . 51043 1 300 . 1 . 1 29 29 THR HA H 1 3.962 0.003 . 1 . . . . . 29 T HA . 51043 1 301 . 1 . 1 29 29 THR HB H 1 4.086 0.005 . 1 . . . . . 29 T HB . 51043 1 302 . 1 . 1 29 29 THR HG21 H 1 0.898 0.008 . 1 . . . . . 29 T QG2 . 51043 1 303 . 1 . 1 29 29 THR HG22 H 1 0.898 0.008 . 1 . . . . . 29 T QG2 . 51043 1 304 . 1 . 1 29 29 THR HG23 H 1 0.898 0.008 . 1 . . . . . 29 T QG2 . 51043 1 305 . 1 . 1 29 29 THR CA C 13 61.020 0.014 . 1 . . . . . 29 T CA . 51043 1 306 . 1 . 1 29 29 THR CB C 13 69.780 0.035 . 1 . . . . . 29 T CB . 51043 1 307 . 1 . 1 29 29 THR CG2 C 13 21.272 0.038 . 1 . . . . . 29 T CG2 . 51043 1 308 . 1 . 1 29 29 THR N N 15 107.735 0.090 . 1 . . . . . 29 T N . 51043 1 309 . 1 . 1 30 30 ASN H H 1 7.874 0.006 . 1 . . . . . 30 N HN . 51043 1 310 . 1 . 1 30 30 ASN HA H 1 4.142 0.012 . 1 . . . . . 30 N HA . 51043 1 311 . 1 . 1 30 30 ASN HB2 H 1 2.884 0.015 . 2 . . . . . 30 N HB2 . 51043 1 312 . 1 . 1 30 30 ASN HB3 H 1 2.949 0.010 . 2 . . . . . 30 N HB3 . 51043 1 313 . 1 . 1 30 30 ASN HD21 H 1 7.655 0.040 . 1 . . . . . 30 N HD21 . 51043 1 314 . 1 . 1 30 30 ASN HD22 H 1 6.717 0.001 . 1 . . . . . 30 N HD22 . 51043 1 315 . 1 . 1 30 30 ASN CA C 13 54.558 0.072 . 1 . . . . . 30 N CA . 51043 1 316 . 1 . 1 30 30 ASN CB C 13 36.737 0.039 . 1 . . . . . 30 N CB . 51043 1 317 . 1 . 1 30 30 ASN N N 15 117.330 0.013 . 1 . . . . . 30 N N . 51043 1 318 . 1 . 1 30 30 ASN ND2 N 15 111.672 0.120 . 1 . . . . . 30 N ND2 . 51043 1 319 . 1 . 1 31 31 ALA H H 1 7.047 0.011 . 1 . . . . . 31 A HN . 51043 1 320 . 1 . 1 31 31 ALA HA H 1 4.331 0.012 . 1 . . . . . 31 A HA . 51043 1 321 . 1 . 1 31 31 ALA HB1 H 1 1.211 0.008 . 1 . . . . . 31 A HB# . 51043 1 322 . 1 . 1 31 31 ALA HB2 H 1 1.211 0.008 . 1 . . . . . 31 A HB# . 51043 1 323 . 1 . 1 31 31 ALA HB3 H 1 1.211 0.008 . 1 . . . . . 31 A HB# . 51043 1 324 . 1 . 1 31 31 ALA CA C 13 52.060 0.008 . 1 . . . . . 31 A CA . 51043 1 325 . 1 . 1 31 31 ALA CB C 13 20.698 0.035 . 1 . . . . . 31 A CB . 51043 1 326 . 1 . 1 31 31 ALA N N 15 121.047 0.005 . 1 . . . . . 31 A N . 51043 1 327 . 1 . 1 32 32 SER H H 1 8.146 0.007 . 1 . . . . . 32 S HN . 51043 1 328 . 1 . 1 32 32 SER HA H 1 5.908 0.006 . 1 . . . . . 32 S HA . 51043 1 329 . 1 . 1 32 32 SER HB2 H 1 3.842 0.007 . 2 . . . . . 32 S HB2 . 51043 1 330 . 1 . 1 32 32 SER HB3 H 1 3.708 0.008 . 2 . . . . . 32 S HB3 . 51043 1 331 . 1 . 1 32 32 SER CA C 13 56.133 0.082 . 1 . . . . . 32 S CA . 51043 1 332 . 1 . 1 32 32 SER CB C 13 66.751 0.027 . 1 . . . . . 32 S CB . 51043 1 333 . 1 . 1 32 32 SER N N 15 112.181 0.018 . 1 . . . . . 32 S N . 51043 1 334 . 1 . 1 33 33 GLN H H 1 9.402 0.004 . 1 . . . . . 33 Q HN . 51043 1 335 . 1 . 1 33 33 GLN HA H 1 4.904 0.000 . 1 . . . . . 33 Q HA . 51043 1 336 . 1 . 1 33 33 GLN HB2 H 1 2.503 0.011 . 1 . . . . . 33 Q HB2 . 51043 1 337 . 1 . 1 33 33 GLN HB3 H 1 2.233 0.001 . 1 . . . . . 33 Q HB3 . 51043 1 338 . 1 . 1 33 33 GLN HE21 H 1 6.647 0.003 . 1 . . . . . 33 Q HE21 . 51043 1 339 . 1 . 1 33 33 GLN HE22 H 1 7.450 0.005 . 1 . . . . . 33 Q HE22 . 51043 1 340 . 1 . 1 33 33 GLN CB C 13 31.770 0.000 . 1 . . . . . 33 Q CB . 51043 1 341 . 1 . 1 33 33 GLN N N 15 117.528 0.078 . 1 . . . . . 33 Q N . 51043 1 342 . 1 . 1 33 33 GLN NE2 N 15 112.865 0.072 . 1 . . . . . 33 Q NE2 . 51043 1 343 . 1 . 1 34 34 TRP H H 1 8.649 0.008 . 1 . . . . . 34 W HN . 51043 1 344 . 1 . 1 34 34 TRP HA H 1 4.991 0.016 . 1 . . . . . 34 W HA . 51043 1 345 . 1 . 1 34 34 TRP HB2 H 1 3.155 0.006 . 2 . . . . . 34 W QB . 51043 1 346 . 1 . 1 34 34 TRP HB3 H 1 3.155 0.006 . 2 . . . . . 34 W QB . 51043 1 347 . 1 . 1 34 34 TRP HD1 H 1 7.445 0.011 . 1 . . . . . 34 W HD1 . 51043 1 348 . 1 . 1 34 34 TRP HE1 H 1 9.947 0.003 . 1 . . . . . 34 W HE1 . 51043 1 349 . 1 . 1 34 34 TRP HE3 H 1 7.375 0.004 . 1 . . . . . 34 W HE3 . 51043 1 350 . 1 . 1 34 34 TRP HZ2 H 1 7.356 0.000 . 1 . . . . . 34 W HZ2 . 51043 1 351 . 1 . 1 34 34 TRP HZ3 H 1 6.924 0.008 . 1 . . . . . 34 W HZ3 . 51043 1 352 . 1 . 1 34 34 TRP HH2 H 1 7.127 0.000 . 1 . . . . . 34 W HH2 . 51043 1 353 . 1 . 1 34 34 TRP CA C 13 58.746 0.000 . 1 . . . . . 34 W CA . 51043 1 354 . 1 . 1 34 34 TRP CB C 13 30.805 0.063 . 1 . . . . . 34 W CB . 51043 1 355 . 1 . 1 34 34 TRP CD1 C 13 128.439 0.000 . 1 . . . . . 34 W CD1 . 51043 1 356 . 1 . 1 34 34 TRP CE3 C 13 120.329 0.000 . 1 . . . . . 34 W CE3 . 51043 1 357 . 1 . 1 34 34 TRP CZ2 C 13 114.893 0.000 . 1 . . . . . 34 W CZ2 . 51043 1 358 . 1 . 1 34 34 TRP CZ3 C 13 123.968 0.000 . 1 . . . . . 34 W CZ3 . 51043 1 359 . 1 . 1 34 34 TRP CH2 C 13 123.899 0.000 . 1 . . . . . 34 W CH2 . 51043 1 360 . 1 . 1 34 34 TRP N N 15 121.110 0.107 . 1 . . . . . 34 W N . 51043 1 361 . 1 . 1 34 34 TRP NE1 N 15 128.733 0.024 . 1 . . . . . 34 W NE1 . 51043 1 362 . 1 . 1 35 35 GLU H H 1 8.199 0.006 . 1 . . . . . 35 E HN . 51043 1 363 . 1 . 1 35 35 GLU HA H 1 4.346 0.009 . 1 . . . . . 35 E HA . 51043 1 364 . 1 . 1 35 35 GLU HB2 H 1 1.901 0.016 . 1 . . . . . 35 E QB . 51043 1 365 . 1 . 1 35 35 GLU HB3 H 1 1.901 0.016 . 1 . . . . . 35 E QB . 51043 1 366 . 1 . 1 35 35 GLU HG2 H 1 2.251 0.006 . 2 . . . . . 35 E HG2 . 51043 1 367 . 1 . 1 35 35 GLU HG3 H 1 2.350 0.001 . 2 . . . . . 35 E HG3 . 51043 1 368 . 1 . 1 35 35 GLU CB C 13 29.847 0.025 . 1 . . . . . 35 E CB . 51043 1 369 . 1 . 1 35 35 GLU CG C 13 36.485 0.000 . 1 . . . . . 35 E CG . 51043 1 370 . 1 . 1 35 35 GLU N N 15 116.671 0.020 . 1 . . . . . 35 E N . 51043 1 371 . 1 . 1 36 36 ARG H H 1 8.447 0.008 . 1 . . . . . 36 R HN . 51043 1 372 . 1 . 1 36 36 ARG HA H 1 2.649 0.010 . 1 . . . . . 36 R HA . 51043 1 373 . 1 . 1 36 36 ARG HB2 H 1 1.367 0.006 . 1 . . . . . 36 R QB . 51043 1 374 . 1 . 1 36 36 ARG HB3 H 1 1.367 0.006 . 1 . . . . . 36 R QB . 51043 1 375 . 1 . 1 36 36 ARG HG2 H 1 1.184 0.011 . 1 . . . . . 36 R HG2 . 51043 1 376 . 1 . 1 36 36 ARG HG3 H 1 0.923 0.010 . 1 . . . . . 36 R HG3 . 51043 1 377 . 1 . 1 36 36 ARG HD2 H 1 3.012 0.010 . 1 . . . . . 36 R QD . 51043 1 378 . 1 . 1 36 36 ARG HD3 H 1 3.012 0.010 . 1 . . . . . 36 R QD . 51043 1 379 . 1 . 1 36 36 ARG CA C 13 54.009 0.021 . 1 . . . . . 36 R CA . 51043 1 380 . 1 . 1 36 36 ARG CB C 13 29.816 0.050 . 1 . . . . . 36 R CB . 51043 1 381 . 1 . 1 36 36 ARG CG C 13 26.855 0.043 . 1 . . . . . 36 R CG . 51043 1 382 . 1 . 1 36 36 ARG CD C 13 43.436 0.037 . 1 . . . . . 36 R CD . 51043 1 383 . 1 . 1 36 36 ARG N N 15 125.138 0.035 . 1 . . . . . 36 R N . 51043 1 384 . 1 . 1 37 37 PRO HA H 1 3.859 0.006 . 1 . . . . . 37 P HA . 51043 1 385 . 1 . 1 37 37 PRO HB2 H 1 0.784 0.017 . 1 . . . . . 37 P HB2 . 51043 1 386 . 1 . 1 37 37 PRO HB3 H 1 0.651 0.008 . 1 . . . . . 37 P HB3 . 51043 1 387 . 1 . 1 37 37 PRO HG2 H 1 0.525 0.012 . 1 . . . . . 37 P HG2 . 51043 1 388 . 1 . 1 37 37 PRO HG3 H 1 -0.078 0.007 . 1 . . . . . 37 P HG3 . 51043 1 389 . 1 . 1 37 37 PRO HD2 H 1 2.278 0.011 . 2 . . . . . 37 P HD2 . 51043 1 390 . 1 . 1 37 37 PRO HD3 H 1 2.461 0.010 . 2 . . . . . 37 P HD3 . 51043 1 391 . 1 . 1 37 37 PRO CA C 13 61.774 0.023 . 1 . . . . . 37 P CA . 51043 1 392 . 1 . 1 37 37 PRO CB C 13 31.041 0.037 . 1 . . . . . 37 P CB . 51043 1 393 . 1 . 1 37 37 PRO CG C 13 25.627 0.019 . 1 . . . . . 37 P CG . 51043 1 394 . 1 . 1 37 37 PRO CD C 13 49.827 0.030 . 1 . . . . . 37 P CD . 51043 1 395 . 1 . 1 38 38 SER H H 1 8.081 0.008 . 1 . . . . . 38 S HN . 51043 1 396 . 1 . 1 38 38 SER HA H 1 4.290 0.004 . 1 . . . . . 38 S HA . 51043 1 397 . 1 . 1 38 38 SER HB2 H 1 3.744 0.029 . 1 . . . . . 38 S HB2 . 51043 1 398 . 1 . 1 38 38 SER HB3 H 1 3.708 0.014 . 1 . . . . . 38 S HB3 . 51043 1 399 . 1 . 1 38 38 SER CA C 13 57.518 0.040 . 1 . . . . . 38 S CA . 51043 1 400 . 1 . 1 38 38 SER CB C 13 64.357 0.005 . 1 . . . . . 38 S CB . 51043 1 401 . 1 . 1 38 38 SER N N 15 114.757 0.554 . 1 . . . . . 38 S N . 51043 1 402 . 1 . 1 39 39 GLY H H 1 8.477 0.001 . 1 . . . . . 39 G HN . 51043 1 403 . 1 . 1 39 39 GLY HA2 H 1 3.949 0.014 . 1 . . . . . 39 G QA . 51043 1 404 . 1 . 1 39 39 GLY HA3 H 1 3.949 0.014 . 1 . . . . . 39 G QA . 51043 1 405 . 1 . 1 39 39 GLY CA C 13 45.256 0.027 . 1 . . . . . 39 G CA . 51043 1 406 . 1 . 1 39 39 GLY N N 15 110.448 0.032 . 1 . . . . . 39 G N . 51043 1 407 . 1 . 1 40 40 ASN H H 1 8.423 0.001 . 1 . . . . . 40 N HN . 51043 1 408 . 1 . 1 40 40 ASN HA H 1 4.772 0.014 . 1 . . . . . 40 N HA . 51043 1 409 . 1 . 1 40 40 ASN HB2 H 1 2.825 0.003 . 1 . . . . . 40 N QB . 51043 1 410 . 1 . 1 40 40 ASN HB3 H 1 2.825 0.003 . 1 . . . . . 40 N QB . 51043 1 411 . 1 . 1 40 40 ASN HD21 H 1 6.937 0.000 . 1 . . . . . 40 N QD2 . 51043 1 412 . 1 . 1 40 40 ASN HD22 H 1 6.937 0.000 . 1 . . . . . 40 N QD2 . 51043 1 413 . 1 . 1 40 40 ASN CB C 13 38.979 0.007 . 1 . . . . . 40 N CB . 51043 1 414 . 1 . 1 40 40 ASN N N 15 118.519 0.101 . 1 . . . . . 40 N N . 51043 1 415 . 1 . 1 40 40 ASN ND2 N 15 112.953 0.000 . 1 . . . . . 40 N ND2 . 51043 1 416 . 1 . 1 41 41 SER H H 1 8.417 0.003 . 1 . . . . . 41 S HN . 51043 1 417 . 1 . 1 41 41 SER HA H 1 4.518 0.008 . 1 . . . . . 41 S HA . 51043 1 418 . 1 . 1 41 41 SER HB2 H 1 3.889 0.006 . 1 . . . . . 41 S QB . 51043 1 419 . 1 . 1 41 41 SER HB3 H 1 3.889 0.006 . 1 . . . . . 41 S QB . 51043 1 420 . 1 . 1 41 41 SER CA C 13 58.481 0.000 . 1 . . . . . 41 S CA . 51043 1 421 . 1 . 1 41 41 SER CB C 13 63.880 0.000 . 1 . . . . . 41 S CB . 51043 1 422 . 1 . 1 41 41 SER N N 15 116.618 0.038 . 1 . . . . . 41 S N . 51043 1 423 . 1 . 1 42 42 SER H H 1 8.354 0.006 . 1 . . . . . 42 S HN . 51043 1 424 . 1 . 1 42 42 SER HA H 1 4.463 0.007 . 1 . . . . . 42 S HA . 51043 1 425 . 1 . 1 42 42 SER HB2 H 1 3.895 0.014 . 1 . . . . . 42 S QB . 51043 1 426 . 1 . 1 42 42 SER HB3 H 1 3.895 0.014 . 1 . . . . . 42 S QB . 51043 1 427 . 1 . 1 42 42 SER CA C 13 58.703 0.000 . 1 . . . . . 42 S CA . 51043 1 428 . 1 . 1 42 42 SER CB C 13 63.878 0.000 . 1 . . . . . 42 S CB . 51043 1 429 . 1 . 1 42 42 SER N N 15 117.605 0.048 . 1 . . . . . 42 S N . 51043 1 430 . 1 . 1 43 43 SER H H 1 8.444 0.011 . 1 . . . . . 43 S HN . 51043 1 431 . 1 . 1 43 43 SER HA H 1 4.453 0.001 . 1 . . . . . 43 S HA . 51043 1 432 . 1 . 1 43 43 SER HB2 H 1 3.898 0.014 . 1 . . . . . 43 S QB . 51043 1 433 . 1 . 1 43 43 SER HB3 H 1 3.898 0.014 . 1 . . . . . 43 S QB . 51043 1 434 . 1 . 1 43 43 SER CA C 13 58.725 0.000 . 1 . . . . . 43 S CA . 51043 1 435 . 1 . 1 43 43 SER CB C 13 63.677 0.011 . 1 . . . . . 43 S CB . 51043 1 436 . 1 . 1 43 43 SER N N 15 117.958 0.010 . 1 . . . . . 43 S N . 51043 1 437 . 1 . 1 44 44 GLY H H 1 8.395 0.008 . 1 . . . . . 44 G HN . 51043 1 438 . 1 . 1 44 44 GLY HA2 H 1 3.962 0.008 . 1 . . . . . 44 G QA . 51043 1 439 . 1 . 1 44 44 GLY HA3 H 1 3.962 0.008 . 1 . . . . . 44 G QA . 51043 1 440 . 1 . 1 44 44 GLY CA C 13 44.965 0.067 . 1 . . . . . 44 G CA . 51043 1 441 . 1 . 1 44 44 GLY N N 15 110.689 0.075 . 1 . . . . . 44 G N . 51043 1 442 . 1 . 1 45 45 GLY H H 1 8.241 0.002 . 1 . . . . . 45 G HN . 51043 1 443 . 1 . 1 45 45 GLY HA2 H 1 3.946 0.008 . 1 . . . . . 45 G QA . 51043 1 444 . 1 . 1 45 45 GLY HA3 H 1 3.946 0.008 . 1 . . . . . 45 G QA . 51043 1 445 . 1 . 1 45 45 GLY CA C 13 45.093 0.000 . 1 . . . . . 45 G CA . 51043 1 446 . 1 . 1 45 45 GLY N N 15 108.653 0.064 . 1 . . . . . 45 G N . 51043 1 447 . 1 . 1 46 46 LYS H H 1 8.154 0.005 . 1 . . . . . 46 K HN . 51043 1 448 . 1 . 1 46 46 LYS HA H 1 4.354 0.000 . 1 . . . . . 46 K HA . 51043 1 449 . 1 . 1 46 46 LYS N N 15 121.242 0.355 . 1 . . . . . 46 K N . 51043 1 450 . 1 . 1 47 47 ASN H H 1 8.071 0.040 . 1 . . . . . 47 N HN . 51043 1 451 . 1 . 1 47 47 ASN HA H 1 4.490 0.000 . 1 . . . . . 47 N HA . 51043 1 452 . 1 . 1 47 47 ASN HD21 H 1 7.598 0.000 . 1 . . . . . 47 N QD2 . 51043 1 453 . 1 . 1 47 47 ASN HD22 H 1 7.598 0.000 . 1 . . . . . 47 N QD2 . 51043 1 454 . 1 . 1 47 47 ASN N N 15 125.477 0.047 . 1 . . . . . 47 N N . 51043 1 455 . 1 . 1 47 47 ASN ND2 N 15 112.815 0.000 . 1 . . . . . 47 N ND2 . 51043 1 456 . 1 . 1 48 48 GLY H H 1 8.316 0.029 . 1 . . . . . 48 G HN . 51043 1 457 . 1 . 1 48 48 GLY HA2 H 1 3.919 0.006 . 1 . . . . . 48 G QA . 51043 1 458 . 1 . 1 48 48 GLY HA3 H 1 3.919 0.006 . 1 . . . . . 48 G QA . 51043 1 459 . 1 . 1 48 48 GLY CA C 13 45.294 0.000 . 1 . . . . . 48 G CA . 51043 1 460 . 1 . 1 48 48 GLY N N 15 114.189 0.044 . 1 . . . . . 48 G N . 51043 1 461 . 1 . 1 49 49 GLN H H 1 8.419 0.004 . 1 . . . . . 49 Q HN . 51043 1 462 . 1 . 1 49 49 GLN HA H 1 4.355 0.005 . 1 . . . . . 49 Q HA . 51043 1 463 . 1 . 1 49 49 GLN HB2 H 1 2.147 0.006 . 1 . . . . . 49 Q QB . 51043 1 464 . 1 . 1 49 49 GLN HB3 H 1 2.147 0.006 . 1 . . . . . 49 Q QB . 51043 1 465 . 1 . 1 49 49 GLN HG2 H 1 2.342 0.009 . 1 . . . . . 49 Q QG . 51043 1 466 . 1 . 1 49 49 GLN HG3 H 1 2.342 0.009 . 1 . . . . . 49 Q QG . 51043 1 467 . 1 . 1 49 49 GLN HE21 H 1 7.522 0.004 . 1 . . . . . 49 Q QE2 . 51043 1 468 . 1 . 1 49 49 GLN HE22 H 1 7.522 0.004 . 1 . . . . . 49 Q QE2 . 51043 1 469 . 1 . 1 49 49 GLN CA C 13 55.708 0.016 . 1 . . . . . 49 Q CA . 51043 1 470 . 1 . 1 49 49 GLN CB C 13 29.430 0.026 . 1 . . . . . 49 Q CB . 51043 1 471 . 1 . 1 49 49 GLN CG C 13 33.754 0.007 . 1 . . . . . 49 Q CG . 51043 1 472 . 1 . 1 49 49 GLN N N 15 119.686 0.032 . 1 . . . . . 49 Q N . 51043 1 473 . 1 . 1 49 49 GLN NE2 N 15 112.412 0.088 . 1 . . . . . 49 Q NE2 . 51043 1 474 . 1 . 1 50 50 GLY H H 1 8.415 0.010 . 1 . . . . . 50 G HN . 51043 1 475 . 1 . 1 50 50 GLY HA2 H 1 3.940 0.005 . 1 . . . . . 50 G QA . 51043 1 476 . 1 . 1 50 50 GLY HA3 H 1 3.940 0.005 . 1 . . . . . 50 G QA . 51043 1 477 . 1 . 1 50 50 GLY CA C 13 45.098 0.030 . 1 . . . . . 50 G CA . 51043 1 478 . 1 . 1 50 50 GLY N N 15 110.063 0.071 . 1 . . . . . 50 G N . 51043 1 479 . 1 . 1 51 51 GLU H H 1 8.249 0.000 . 1 . . . . . 51 E HN . 51043 1 480 . 1 . 1 51 51 GLU HA H 1 4.657 0.010 . 1 . . . . . 51 E HA . 51043 1 481 . 1 . 1 51 51 GLU HB2 H 1 2.011 0.007 . 1 . . . . . 51 E QB . 51043 1 482 . 1 . 1 51 51 GLU HB3 H 1 2.011 0.007 . 1 . . . . . 51 E QB . 51043 1 483 . 1 . 1 51 51 GLU HG2 H 1 2.359 0.007 . 1 . . . . . 51 E QG . 51043 1 484 . 1 . 1 51 51 GLU HG3 H 1 2.359 0.007 . 1 . . . . . 51 E QG . 51043 1 485 . 1 . 1 51 51 GLU CA C 13 54.047 0.000 . 1 . . . . . 51 E CA . 51043 1 486 . 1 . 1 51 51 GLU CB C 13 30.220 0.000 . 1 . . . . . 51 E CB . 51043 1 487 . 1 . 1 51 51 GLU CG C 13 35.904 0.082 . 1 . . . . . 51 E CG . 51043 1 488 . 1 . 1 51 51 GLU N N 15 122.018 0.000 . 1 . . . . . 51 E N . 51043 1 489 . 1 . 1 52 52 PRO HA H 1 4.517 0.007 . 1 . . . . . 52 P HA . 51043 1 490 . 1 . 1 52 52 PRO HB2 H 1 2.274 0.012 . 1 . . . . . 52 P HB2 . 51043 1 491 . 1 . 1 52 52 PRO HB3 H 1 2.001 0.009 . 1 . . . . . 52 P HB3 . 51043 1 492 . 1 . 1 52 52 PRO HG2 H 1 1.915 0.011 . 1 . . . . . 52 P QG . 51043 1 493 . 1 . 1 52 52 PRO HG3 H 1 1.915 0.011 . 1 . . . . . 52 P QG . 51043 1 494 . 1 . 1 52 52 PRO HD2 H 1 3.819 0.010 . 2 . . . . . 52 P HD2 . 51043 1 495 . 1 . 1 52 52 PRO HD3 H 1 3.821 0.007 . 2 . . . . . 52 P HD3 . 51043 1 496 . 1 . 1 52 52 PRO CA C 13 62.613 0.111 . 1 . . . . . 52 P CA . 51043 1 497 . 1 . 1 52 52 PRO CB C 13 32.095 0.046 . 1 . . . . . 52 P CB . 51043 1 498 . 1 . 1 52 52 PRO CG C 13 27.365 0.048 . 1 . . . . . 52 P CG . 51043 1 499 . 1 . 1 52 52 PRO CD C 13 50.938 0.058 . 1 . . . . . 52 P CD . 51043 1 500 . 1 . 1 53 53 ALA H H 1 8.597 0.001 . 1 . . . . . 53 A HN . 51043 1 501 . 1 . 1 53 53 ALA HA H 1 4.226 0.006 . 1 . . . . . 53 A HA . 51043 1 502 . 1 . 1 53 53 ALA HB1 H 1 1.461 0.006 . 1 . . . . . 53 A HB# . 51043 1 503 . 1 . 1 53 53 ALA HB2 H 1 1.461 0.006 . 1 . . . . . 53 A HB# . 51043 1 504 . 1 . 1 53 53 ALA HB3 H 1 1.461 0.006 . 1 . . . . . 53 A HB# . 51043 1 505 . 1 . 1 53 53 ALA CA C 13 53.650 0.023 . 1 . . . . . 53 A CA . 51043 1 506 . 1 . 1 53 53 ALA CB C 13 19.194 0.014 . 1 . . . . . 53 A CB . 51043 1 507 . 1 . 1 53 53 ALA N N 15 122.585 0.037 . 1 . . . . . 53 A N . 51043 1 508 . 1 . 1 54 54 ARG H H 1 7.692 0.009 . 1 . . . . . 54 R HN . 51043 1 509 . 1 . 1 54 54 ARG HA H 1 4.983 0.015 . 1 . . . . . 54 R HA . 51043 1 510 . 1 . 1 54 54 ARG HB2 H 1 1.481 0.015 . 1 . . . . . 54 R QB . 51043 1 511 . 1 . 1 54 54 ARG HB3 H 1 1.481 0.015 . 1 . . . . . 54 R QB . 51043 1 512 . 1 . 1 54 54 ARG HG2 H 1 1.399 0.008 . 1 . . . . . 54 R QG . 51043 1 513 . 1 . 1 54 54 ARG HG3 H 1 1.399 0.008 . 1 . . . . . 54 R QG . 51043 1 514 . 1 . 1 54 54 ARG HD2 H 1 2.964 0.009 . 1 . . . . . 54 R QD . 51043 1 515 . 1 . 1 54 54 ARG HD3 H 1 2.964 0.009 . 1 . . . . . 54 R QD . 51043 1 516 . 1 . 1 54 54 ARG CA C 13 54.295 0.018 . 1 . . . . . 54 R CA . 51043 1 517 . 1 . 1 54 54 ARG CB C 13 34.093 0.027 . 1 . . . . . 54 R CB . 51043 1 518 . 1 . 1 54 54 ARG CG C 13 26.531 0.029 . 1 . . . . . 54 R CG . 51043 1 519 . 1 . 1 54 54 ARG CD C 13 43.760 0.104 . 1 . . . . . 54 R CD . 51043 1 520 . 1 . 1 54 54 ARG N N 15 115.197 0.012 . 1 . . . . . 54 R N . 51043 1 521 . 1 . 1 55 55 VAL H H 1 7.842 0.001 . 1 . . . . . 55 V HN . 51043 1 522 . 1 . 1 55 55 VAL HA H 1 4.266 0.005 . 1 . . . . . 55 V HA . 51043 1 523 . 1 . 1 55 55 VAL HB H 1 1.367 0.010 . 1 . . . . . 55 V HB . 51043 1 524 . 1 . 1 55 55 VAL HG11 H 1 0.052 0.008 . 1 . . . . . 55 V QG1 . 51043 1 525 . 1 . 1 55 55 VAL HG12 H 1 0.052 0.008 . 1 . . . . . 55 V QG1 . 51043 1 526 . 1 . 1 55 55 VAL HG13 H 1 0.052 0.008 . 1 . . . . . 55 V QG1 . 51043 1 527 . 1 . 1 55 55 VAL HG21 H 1 -0.634 0.012 . 1 . . . . . 55 V QG2 . 51043 1 528 . 1 . 1 55 55 VAL HG22 H 1 -0.634 0.012 . 1 . . . . . 55 V QG2 . 51043 1 529 . 1 . 1 55 55 VAL HG23 H 1 -0.634 0.012 . 1 . . . . . 55 V QG2 . 51043 1 530 . 1 . 1 55 55 VAL CA C 13 58.719 0.031 . 1 . . . . . 55 V CA . 51043 1 531 . 1 . 1 55 55 VAL CB C 13 34.939 0.065 . 1 . . . . . 55 V CB . 51043 1 532 . 1 . 1 55 55 VAL CG1 C 13 20.927 0.036 . 1 . . . . . 55 V CG1 . 51043 1 533 . 1 . 1 55 55 VAL CG2 C 13 17.780 0.032 . 1 . . . . . 55 V CG2 . 51043 1 534 . 1 . 1 55 55 VAL N N 15 113.706 0.063 . 1 . . . . . 55 V N . 51043 1 535 . 1 . 1 56 56 ARG H H 1 8.182 0.007 . 1 . . . . . 56 R HN . 51043 1 536 . 1 . 1 56 56 ARG HA H 1 4.800 0.000 . 1 . . . . . 56 R HA . 51043 1 537 . 1 . 1 56 56 ARG HB2 H 1 1.244 0.013 . 1 . . . . . 56 R HB2 . 51043 1 538 . 1 . 1 56 56 ARG HB3 H 1 1.691 0.011 . 1 . . . . . 56 R HB3 . 51043 1 539 . 1 . 1 56 56 ARG HG2 H 1 1.372 0.015 . 1 . . . . . 56 R QG . 51043 1 540 . 1 . 1 56 56 ARG HG3 H 1 1.372 0.015 . 1 . . . . . 56 R QG . 51043 1 541 . 1 . 1 56 56 ARG HD2 H 1 2.905 0.013 . 1 . . . . . 56 R QD . 51043 1 542 . 1 . 1 56 56 ARG HD3 H 1 2.905 0.013 . 1 . . . . . 56 R QD . 51043 1 543 . 1 . 1 56 56 ARG CB C 13 34.181 0.078 . 1 . . . . . 56 R CB . 51043 1 544 . 1 . 1 56 56 ARG CD C 13 44.125 0.038 . 1 . . . . . 56 R CD . 51043 1 545 . 1 . 1 56 56 ARG N N 15 120.691 0.046 . 1 . . . . . 56 R N . 51043 1 546 . 1 . 1 57 57 CYS H H 1 7.200 0.006 . 1 . . . . . 57 C HN . 51043 1 547 . 1 . 1 57 57 CYS HA H 1 5.708 0.008 . 1 . . . . . 57 C HA . 51043 1 548 . 1 . 1 57 57 CYS HB2 H 1 3.118 0.008 . 1 . . . . . 57 C HB2 . 51043 1 549 . 1 . 1 57 57 CYS HB3 H 1 2.851 0.013 . 1 . . . . . 57 C HB3 . 51043 1 550 . 1 . 1 57 57 CYS CA C 13 55.623 0.037 . 1 . . . . . 57 C CA . 51043 1 551 . 1 . 1 57 57 CYS CB C 13 33.441 0.026 . 1 . . . . . 57 C CB . 51043 1 552 . 1 . 1 57 57 CYS N N 15 117.617 0.049 . 1 . . . . . 57 C N . 51043 1 553 . 1 . 1 58 58 SER H H 1 9.351 0.008 . 1 . . . . . 58 S HN . 51043 1 554 . 1 . 1 58 58 SER HA H 1 5.874 0.008 . 1 . . . . . 58 S HA . 51043 1 555 . 1 . 1 58 58 SER HB2 H 1 3.446 0.006 . 1 . . . . . 58 S QB . 51043 1 556 . 1 . 1 58 58 SER HB3 H 1 3.446 0.006 . 1 . . . . . 58 S QB . 51043 1 557 . 1 . 1 58 58 SER CA C 13 56.189 0.055 . 1 . . . . . 58 S CA . 51043 1 558 . 1 . 1 58 58 SER CB C 13 65.852 0.033 . 1 . . . . . 58 S CB . 51043 1 559 . 1 . 1 58 58 SER N N 15 116.503 0.058 . 1 . . . . . 58 S N . 51043 1 560 . 1 . 1 59 59 HIS H H 1 9.781 0.000 . 1 . . . . . 59 H HN . 51043 1 561 . 1 . 1 59 59 HIS HA H 1 6.287 0.022 . 1 . . . . . 59 H HA . 51043 1 562 . 1 . 1 59 59 HIS HB2 H 1 3.629 0.007 . 1 . . . . . 59 H QB . 51043 1 563 . 1 . 1 59 59 HIS HB3 H 1 3.629 0.007 . 1 . . . . . 59 H QB . 51043 1 564 . 1 . 1 59 59 HIS HD2 H 1 7.132 0.017 . 1 . . . . . 59 H HD2 . 51043 1 565 . 1 . 1 59 59 HIS HE1 H 1 7.724 0.000 . 1 . . . . . 59 H HE1 . 51043 1 566 . 1 . 1 59 59 HIS CA C 13 54.224 0.013 . 1 . . . . . 59 H CA . 51043 1 567 . 1 . 1 59 59 HIS CB C 13 37.033 0.026 . 1 . . . . . 59 H CB . 51043 1 568 . 1 . 1 59 59 HIS CD2 C 13 116.493 0.000 . 1 . . . . . 59 H CD2 . 51043 1 569 . 1 . 1 59 59 HIS CE1 C 13 136.633 0.000 . 1 . . . . . 59 H CE1 . 51043 1 570 . 1 . 1 59 59 HIS N N 15 120.027 0.000 . 1 . . . . . 59 H N . 51043 1 571 . 1 . 1 60 60 LEU H H 1 8.933 0.001 . 1 . . . . . 60 L HN . 51043 1 572 . 1 . 1 60 60 LEU HA H 1 3.930 0.009 . 1 . . . . . 60 L HA . 51043 1 573 . 1 . 1 60 60 LEU HB2 H 1 1.504 0.014 . 2 . . . . . 60 L HB2 . 51043 1 574 . 1 . 1 60 60 LEU HB3 H 1 1.025 0.014 . 2 . . . . . 60 L HB3 . 51043 1 575 . 1 . 1 60 60 LEU HG H 1 1.196 0.008 . 1 . . . . . 60 L HG . 51043 1 576 . 1 . 1 60 60 LEU HD11 H 1 0.141 0.009 . 1 . . . . . 60 L QD1 . 51043 1 577 . 1 . 1 60 60 LEU HD12 H 1 0.141 0.009 . 1 . . . . . 60 L QD1 . 51043 1 578 . 1 . 1 60 60 LEU HD13 H 1 0.141 0.009 . 1 . . . . . 60 L QD1 . 51043 1 579 . 1 . 1 60 60 LEU HD21 H 1 0.572 0.012 . 1 . . . . . 60 L QD2 . 51043 1 580 . 1 . 1 60 60 LEU HD22 H 1 0.572 0.012 . 1 . . . . . 60 L QD2 . 51043 1 581 . 1 . 1 60 60 LEU HD23 H 1 0.572 0.012 . 1 . . . . . 60 L QD2 . 51043 1 582 . 1 . 1 60 60 LEU CA C 13 55.873 0.068 . 1 . . . . . 60 L CA . 51043 1 583 . 1 . 1 60 60 LEU CB C 13 45.162 0.076 . 1 . . . . . 60 L CB . 51043 1 584 . 1 . 1 60 60 LEU CG C 13 30.578 0.119 . 1 . . . . . 60 L CG . 51043 1 585 . 1 . 1 60 60 LEU CD1 C 13 26.364 0.079 . 1 . . . . . 60 L CD1 . 51043 1 586 . 1 . 1 60 60 LEU CD2 C 13 24.070 0.055 . 1 . . . . . 60 L CD2 . 51043 1 587 . 1 . 1 60 60 LEU N N 15 125.227 0.009 . 1 . . . . . 60 L N . 51043 1 588 . 1 . 1 61 61 LEU H H 1 8.107 0.004 . 1 . . . . . 61 L HN . 51043 1 589 . 1 . 1 61 61 LEU HA H 1 4.672 0.012 . 1 . . . . . 61 L HA . 51043 1 590 . 1 . 1 61 61 LEU HB2 H 1 1.426 0.012 . 1 . . . . . 61 L QB . 51043 1 591 . 1 . 1 61 61 LEU HB3 H 1 1.426 0.012 . 1 . . . . . 61 L QB . 51043 1 592 . 1 . 1 61 61 LEU HG H 1 0.967 0.008 . 1 . . . . . 61 L HG . 51043 1 593 . 1 . 1 61 61 LEU HD11 H 1 -0.293 0.014 . 1 . . . . . 61 L QD1 . 51043 1 594 . 1 . 1 61 61 LEU HD12 H 1 -0.293 0.014 . 1 . . . . . 61 L QD1 . 51043 1 595 . 1 . 1 61 61 LEU HD13 H 1 -0.293 0.014 . 1 . . . . . 61 L QD1 . 51043 1 596 . 1 . 1 61 61 LEU HD21 H 1 0.685 0.015 . 1 . . . . . 61 L QD2 . 51043 1 597 . 1 . 1 61 61 LEU HD22 H 1 0.685 0.015 . 1 . . . . . 61 L QD2 . 51043 1 598 . 1 . 1 61 61 LEU HD23 H 1 0.685 0.015 . 1 . . . . . 61 L QD2 . 51043 1 599 . 1 . 1 61 61 LEU CB C 13 45.136 0.041 . 1 . . . . . 61 L CB . 51043 1 600 . 1 . 1 61 61 LEU CG C 13 27.010 0.000 . 1 . . . . . 61 L CG . 51043 1 601 . 1 . 1 61 61 LEU CD1 C 13 19.895 0.078 . 1 . . . . . 61 L CD1 . 51043 1 602 . 1 . 1 61 61 LEU CD2 C 13 26.835 0.008 . 1 . . . . . 61 L CD2 . 51043 1 603 . 1 . 1 61 61 LEU N N 15 127.195 0.069 . 1 . . . . . 61 L N . 51043 1 604 . 1 . 1 62 62 VAL H H 1 9.509 0.005 . 1 . . . . . 62 V HN . 51043 1 605 . 1 . 1 62 62 VAL HA H 1 4.646 0.028 . 1 . . . . . 62 V HA . 51043 1 606 . 1 . 1 62 62 VAL HB H 1 1.813 0.012 . 1 . . . . . 62 V HB . 51043 1 607 . 1 . 1 62 62 VAL HG11 H 1 1.159 0.009 . 1 . . . . . 62 V QG1 . 51043 1 608 . 1 . 1 62 62 VAL HG12 H 1 1.159 0.009 . 1 . . . . . 62 V QG1 . 51043 1 609 . 1 . 1 62 62 VAL HG13 H 1 1.159 0.009 . 1 . . . . . 62 V QG1 . 51043 1 610 . 1 . 1 62 62 VAL HG21 H 1 0.947 0.005 . 1 . . . . . 62 V QG2 . 51043 1 611 . 1 . 1 62 62 VAL HG22 H 1 0.947 0.005 . 1 . . . . . 62 V QG2 . 51043 1 612 . 1 . 1 62 62 VAL HG23 H 1 0.947 0.005 . 1 . . . . . 62 V QG2 . 51043 1 613 . 1 . 1 62 62 VAL CA C 13 61.536 0.081 . 1 . . . . . 62 V CA . 51043 1 614 . 1 . 1 62 62 VAL CB C 13 33.033 0.090 . 1 . . . . . 62 V CB . 51043 1 615 . 1 . 1 62 62 VAL CG1 C 13 22.403 0.046 . 1 . . . . . 62 V CG1 . 51043 1 616 . 1 . 1 62 62 VAL CG2 C 13 21.435 0.033 . 1 . . . . . 62 V CG2 . 51043 1 617 . 1 . 1 62 62 VAL N N 15 128.284 0.031 . 1 . . . . . 62 V N . 51043 1 618 . 1 . 1 63 63 LYS H H 1 9.122 0.008 . 1 . . . . . 63 K HN . 51043 1 619 . 1 . 1 63 63 LYS HA H 1 4.132 0.012 . 1 . . . . . 63 K HA . 51043 1 620 . 1 . 1 63 63 LYS HB2 H 1 1.644 0.009 . 1 . . . . . 63 K QB . 51043 1 621 . 1 . 1 63 63 LYS HB3 H 1 1.644 0.009 . 1 . . . . . 63 K QB . 51043 1 622 . 1 . 1 63 63 LYS HD2 H 1 1.480 0.000 . 1 . . . . . 63 K QD . 51043 1 623 . 1 . 1 63 63 LYS HD3 H 1 1.480 0.000 . 1 . . . . . 63 K QD . 51043 1 624 . 1 . 1 63 63 LYS HE2 H 1 2.986 0.016 . 1 . . . . . 63 K QE . 51043 1 625 . 1 . 1 63 63 LYS HE3 H 1 2.986 0.016 . 1 . . . . . 63 K QE . 51043 1 626 . 1 . 1 63 63 LYS CA C 13 56.814 0.146 . 1 . . . . . 63 K CA . 51043 1 627 . 1 . 1 63 63 LYS CB C 13 36.527 0.042 . 1 . . . . . 63 K CB . 51043 1 628 . 1 . 1 63 63 LYS CE C 13 42.677 0.000 . 1 . . . . . 63 K CE . 51043 1 629 . 1 . 1 63 63 LYS N N 15 125.520 0.000 . 1 . . . . . 63 K N . 51043 1 630 . 1 . 1 64 64 HIS H H 1 8.339 0.005 . 1 . . . . . 64 H HN . 51043 1 631 . 1 . 1 64 64 HIS HA H 1 4.651 0.000 . 1 . . . . . 64 H HA . 51043 1 632 . 1 . 1 64 64 HIS HB2 H 1 3.125 0.009 . 1 . . . . . 64 H QB . 51043 1 633 . 1 . 1 64 64 HIS HB3 H 1 3.125 0.009 . 1 . . . . . 64 H QB . 51043 1 634 . 1 . 1 64 64 HIS HD2 H 1 6.487 0.010 . 1 . . . . . 64 H HD2 . 51043 1 635 . 1 . 1 64 64 HIS HE1 H 1 7.497 0.018 . 1 . . . . . 64 H HE1 . 51043 1 636 . 1 . 1 64 64 HIS CB C 13 33.574 0.058 . 1 . . . . . 64 H CB . 51043 1 637 . 1 . 1 64 64 HIS CD2 C 13 116.132 0.000 . 1 . . . . . 64 H CD2 . 51043 1 638 . 1 . 1 64 64 HIS CE1 C 13 139.862 0.000 . 1 . . . . . 64 H CE1 . 51043 1 639 . 1 . 1 64 64 HIS N N 15 114.103 0.052 . 1 . . . . . 64 H N . 51043 1 640 . 1 . 1 65 65 SER H H 1 9.492 0.008 . 1 . . . . . 65 S HN . 51043 1 641 . 1 . 1 65 65 SER HA H 1 4.081 0.006 . 1 . . . . . 65 S HA . 51043 1 642 . 1 . 1 65 65 SER HB2 H 1 3.673 0.014 . 1 . . . . . 65 S QB . 51043 1 643 . 1 . 1 65 65 SER HB3 H 1 3.673 0.014 . 1 . . . . . 65 S QB . 51043 1 644 . 1 . 1 65 65 SER CA C 13 60.972 0.017 . 1 . . . . . 65 S CA . 51043 1 645 . 1 . 1 65 65 SER CB C 13 63.156 0.034 . 1 . . . . . 65 S CB . 51043 1 646 . 1 . 1 65 65 SER N N 15 113.733 0.005 . 1 . . . . . 65 S N . 51043 1 647 . 1 . 1 66 66 GLN H H 1 9.182 0.009 . 1 . . . . . 66 Q HN . 51043 1 648 . 1 . 1 66 66 GLN HA H 1 4.665 0.009 . 1 . . . . . 66 Q HA . 51043 1 649 . 1 . 1 66 66 GLN HB2 H 1 2.622 0.007 . 1 . . . . . 66 Q QB . 51043 1 650 . 1 . 1 66 66 GLN HB3 H 1 2.622 0.007 . 1 . . . . . 66 Q QB . 51043 1 651 . 1 . 1 66 66 GLN HG2 H 1 2.445 0.005 . 1 . . . . . 66 Q QG . 51043 1 652 . 1 . 1 66 66 GLN HG3 H 1 2.445 0.005 . 1 . . . . . 66 Q QG . 51043 1 653 . 1 . 1 66 66 GLN HE21 H 1 7.615 0.008 . 1 . . . . . 66 Q QE2 . 51043 1 654 . 1 . 1 66 66 GLN HE22 H 1 7.615 0.008 . 1 . . . . . 66 Q QE2 . 51043 1 655 . 1 . 1 66 66 GLN CB C 13 29.261 0.046 . 1 . . . . . 66 Q CB . 51043 1 656 . 1 . 1 66 66 GLN CG C 13 34.950 0.027 . 1 . . . . . 66 Q CG . 51043 1 657 . 1 . 1 66 66 GLN N N 15 120.482 0.052 . 1 . . . . . 66 Q N . 51043 1 658 . 1 . 1 66 66 GLN NE2 N 15 112.395 0.000 . 1 . . . . . 66 Q NE2 . 51043 1 659 . 1 . 1 67 67 SER H H 1 7.850 0.001 . 1 . . . . . 67 S HN . 51043 1 660 . 1 . 1 67 67 SER HA H 1 3.815 0.005 . 1 . . . . . 67 S HA . 51043 1 661 . 1 . 1 67 67 SER HB2 H 1 3.575 0.014 . 1 . . . . . 67 S QB . 51043 1 662 . 1 . 1 67 67 SER HB3 H 1 3.575 0.014 . 1 . . . . . 67 S QB . 51043 1 663 . 1 . 1 67 67 SER CA C 13 61.700 0.082 . 1 . . . . . 67 S CA . 51043 1 664 . 1 . 1 67 67 SER CB C 13 63.600 0.089 . 1 . . . . . 67 S CB . 51043 1 665 . 1 . 1 67 67 SER N N 15 121.372 0.043 . 1 . . . . . 67 S N . 51043 1 666 . 1 . 1 68 68 ARG H H 1 8.301 0.010 . 1 . . . . . 68 R HN . 51043 1 667 . 1 . 1 68 68 ARG HA H 1 4.100 0.011 . 1 . . . . . 68 R HA . 51043 1 668 . 1 . 1 68 68 ARG HB2 H 1 1.777 0.012 . 1 . . . . . 68 R QB . 51043 1 669 . 1 . 1 68 68 ARG HB3 H 1 1.777 0.012 . 1 . . . . . 68 R QB . 51043 1 670 . 1 . 1 68 68 ARG HG2 H 1 1.591 0.011 . 1 . . . . . 68 R QG . 51043 1 671 . 1 . 1 68 68 ARG HG3 H 1 1.591 0.011 . 1 . . . . . 68 R QG . 51043 1 672 . 1 . 1 68 68 ARG HD2 H 1 3.149 0.012 . 1 . . . . . 68 R HD2 . 51043 1 673 . 1 . 1 68 68 ARG HD3 H 1 3.028 0.008 . 1 . . . . . 68 R HD3 . 51043 1 674 . 1 . 1 68 68 ARG CA C 13 58.693 0.067 . 1 . . . . . 68 R CA . 51043 1 675 . 1 . 1 68 68 ARG CB C 13 29.151 0.058 . 1 . . . . . 68 R CB . 51043 1 676 . 1 . 1 68 68 ARG CG C 13 26.385 0.033 . 1 . . . . . 68 R CG . 51043 1 677 . 1 . 1 68 68 ARG CD C 13 43.647 0.000 . 1 . . . . . 68 R CD . 51043 1 678 . 1 . 1 68 68 ARG N N 15 121.820 0.030 . 1 . . . . . 68 R N . 51043 1 679 . 1 . 1 69 69 ARG H H 1 8.384 0.008 . 1 . . . . . 69 R HN . 51043 1 680 . 1 . 1 69 69 ARG HA H 1 4.762 0.018 . 1 . . . . . 69 R HA . 51043 1 681 . 1 . 1 69 69 ARG HB2 H 1 1.717 0.014 . 1 . . . . . 69 R QB . 51043 1 682 . 1 . 1 69 69 ARG HB3 H 1 1.717 0.014 . 1 . . . . . 69 R QB . 51043 1 683 . 1 . 1 69 69 ARG HG2 H 1 1.505 0.014 . 1 . . . . . 69 R QG . 51043 1 684 . 1 . 1 69 69 ARG HG3 H 1 1.505 0.014 . 1 . . . . . 69 R QG . 51043 1 685 . 1 . 1 69 69 ARG HD2 H 1 3.209 0.008 . 1 . . . . . 69 R QD . 51043 1 686 . 1 . 1 69 69 ARG HD3 H 1 3.209 0.008 . 1 . . . . . 69 R QD . 51043 1 687 . 1 . 1 69 69 ARG CB C 13 32.029 0.056 . 1 . . . . . 69 R CB . 51043 1 688 . 1 . 1 69 69 ARG CG C 13 27.510 0.000 . 1 . . . . . 69 R CG . 51043 1 689 . 1 . 1 69 69 ARG CD C 13 43.327 0.000 . 1 . . . . . 69 R CD . 51043 1 690 . 1 . 1 69 69 ARG N N 15 118.889 0.051 . 1 . . . . . 69 R N . 51043 1 691 . 1 . 1 70 70 PRO HA H 1 4.397 0.006 . 1 . . . . . 70 P HA . 51043 1 692 . 1 . 1 70 70 PRO HB2 H 1 2.568 0.013 . 1 . . . . . 70 P HB2 . 51043 1 693 . 1 . 1 70 70 PRO HB3 H 1 1.865 0.016 . 1 . . . . . 70 P HB3 . 51043 1 694 . 1 . 1 70 70 PRO HG2 H 1 1.989 0.011 . 2 . . . . . 70 P HG2 . 51043 1 695 . 1 . 1 70 70 PRO HG3 H 1 2.105 0.009 . 2 . . . . . 70 P HG3 . 51043 1 696 . 1 . 1 70 70 PRO HD2 H 1 3.470 0.006 . 1 . . . . . 70 P QD . 51043 1 697 . 1 . 1 70 70 PRO HD3 H 1 3.470 0.006 . 1 . . . . . 70 P QD . 51043 1 698 . 1 . 1 70 70 PRO CB C 13 27.247 0.019 . 1 . . . . . 70 P CB . 51043 1 699 . 1 . 1 70 70 PRO CG C 13 26.736 0.078 . 1 . . . . . 70 P CG . 51043 1 700 . 1 . 1 70 70 PRO CD C 13 49.875 0.000 . 1 . . . . . 70 P CD . 51043 1 701 . 1 . 1 71 71 SER H H 1 9.141 0.006 . 1 . . . . . 71 S HN . 51043 1 702 . 1 . 1 71 71 SER HA H 1 4.379 0.011 . 1 . . . . . 71 S HA . 51043 1 703 . 1 . 1 71 71 SER HB2 H 1 3.504 0.004 . 1 . . . . . 71 S QB . 51043 1 704 . 1 . 1 71 71 SER HB3 H 1 3.504 0.004 . 1 . . . . . 71 S QB . 51043 1 705 . 1 . 1 71 71 SER CB C 13 65.595 0.030 . 1 . . . . . 71 S CB . 51043 1 706 . 1 . 1 71 71 SER N N 15 121.312 0.034 . 1 . . . . . 71 S N . 51043 1 707 . 1 . 1 72 72 SER H H 1 8.950 0.008 . 1 . . . . . 72 S HN . 51043 1 708 . 1 . 1 72 72 SER HA H 1 5.031 0.008 . 1 . . . . . 72 S HA . 51043 1 709 . 1 . 1 72 72 SER HB2 H 1 4.398 0.004 . 1 . . . . . 72 S QB . 51043 1 710 . 1 . 1 72 72 SER HB3 H 1 4.398 0.004 . 1 . . . . . 72 S QB . 51043 1 711 . 1 . 1 72 72 SER CA C 13 56.640 0.082 . 1 . . . . . 72 S CA . 51043 1 712 . 1 . 1 72 72 SER CB C 13 69.030 0.030 . 1 . . . . . 72 S CB . 51043 1 713 . 1 . 1 72 72 SER N N 15 119.071 0.000 . 1 . . . . . 72 S N . 51043 1 714 . 1 . 1 73 73 TRP H H 1 8.564 0.011 . 1 . . . . . 73 W HN . 51043 1 715 . 1 . 1 73 73 TRP HA H 1 4.345 0.012 . 1 . . . . . 73 W HA . 51043 1 716 . 1 . 1 73 73 TRP HB2 H 1 3.146 0.013 . 1 . . . . . 73 W QB . 51043 1 717 . 1 . 1 73 73 TRP HB3 H 1 3.146 0.013 . 1 . . . . . 73 W QB . 51043 1 718 . 1 . 1 73 73 TRP HD1 H 1 7.334 0.023 . 1 . . . . . 73 W HD1 . 51043 1 719 . 1 . 1 73 73 TRP HE1 H 1 9.994 0.004 . 1 . . . . . 73 W HE1 . 51043 1 720 . 1 . 1 73 73 TRP HE3 H 1 7.393 0.008 . 1 . . . . . 73 W HE3 . 51043 1 721 . 1 . 1 73 73 TRP HZ2 H 1 7.268 0.019 . 1 . . . . . 73 W HZ2 . 51043 1 722 . 1 . 1 73 73 TRP HZ3 H 1 7.069 0.008 . 1 . . . . . 73 W HZ3 . 51043 1 723 . 1 . 1 73 73 TRP HH2 H 1 7.155 0.004 . 1 . . . . . 73 W HH2 . 51043 1 724 . 1 . 1 73 73 TRP CA C 13 58.183 0.030 . 1 . . . . . 73 W CA . 51043 1 725 . 1 . 1 73 73 TRP CB C 13 27.103 0.061 . 1 . . . . . 73 W CB . 51043 1 726 . 1 . 1 73 73 TRP CD1 C 13 125.980 0.000 . 1 . . . . . 73 W CD1 . 51043 1 727 . 1 . 1 73 73 TRP CE3 C 13 120.395 0.000 . 1 . . . . . 73 W CE3 . 51043 1 728 . 1 . 1 73 73 TRP CZ2 C 13 115.825 0.000 . 1 . . . . . 73 W CZ2 . 51043 1 729 . 1 . 1 73 73 TRP CZ3 C 13 121.958 0.000 . 1 . . . . . 73 W CZ3 . 51043 1 730 . 1 . 1 73 73 TRP CH2 C 13 125.001 0.000 . 1 . . . . . 73 W CH2 . 51043 1 731 . 1 . 1 73 73 TRP N N 15 118.800 0.051 . 1 . . . . . 73 W N . 51043 1 732 . 1 . 1 73 73 TRP NE1 N 15 132.792 0.031 . 1 . . . . . 73 W NE1 . 51043 1 733 . 1 . 1 74 74 ARG H H 1 7.032 0.006 . 1 . . . . . 74 R HN . 51043 1 734 . 1 . 1 74 74 ARG HA H 1 3.517 0.007 . 1 . . . . . 74 R HA . 51043 1 735 . 1 . 1 74 74 ARG HB2 H 1 0.939 0.012 . 1 . . . . . 74 R QB . 51043 1 736 . 1 . 1 74 74 ARG HB3 H 1 0.939 0.012 . 1 . . . . . 74 R QB . 51043 1 737 . 1 . 1 74 74 ARG HG2 H 1 -0.023 0.015 . 2 . . . . . 74 R QG . 51043 1 738 . 1 . 1 74 74 ARG HG3 H 1 -0.654 0.015 . 2 . . . . . 74 R QG . 51043 1 739 . 1 . 1 74 74 ARG HD2 H 1 2.417 0.011 . 1 . . . . . 74 R QD . 51043 1 740 . 1 . 1 74 74 ARG HD3 H 1 2.417 0.011 . 1 . . . . . 74 R QD . 51043 1 741 . 1 . 1 74 74 ARG CA C 13 56.844 0.031 . 1 . . . . . 74 R CA . 51043 1 742 . 1 . 1 74 74 ARG CB C 13 29.915 0.033 . 1 . . . . . 74 R CB . 51043 1 743 . 1 . 1 74 74 ARG CG C 13 25.875 0.043 . 1 . . . . . 74 R CG . 51043 1 744 . 1 . 1 74 74 ARG CD C 13 42.385 0.051 . 1 . . . . . 74 R CD . 51043 1 745 . 1 . 1 74 74 ARG N N 15 117.851 0.051 . 1 . . . . . 74 R N . 51043 1 746 . 1 . 1 75 75 GLN H H 1 6.870 0.008 . 1 . . . . . 75 Q HN . 51043 1 747 . 1 . 1 75 75 GLN HA H 1 4.242 0.011 . 1 . . . . . 75 Q HA . 51043 1 748 . 1 . 1 75 75 GLN HB2 H 1 1.718 0.009 . 1 . . . . . 75 Q QB . 51043 1 749 . 1 . 1 75 75 GLN HB3 H 1 1.718 0.009 . 1 . . . . . 75 Q QB . 51043 1 750 . 1 . 1 75 75 GLN HG2 H 1 2.070 0.008 . 1 . . . . . 75 Q QG . 51043 1 751 . 1 . 1 75 75 GLN HG3 H 1 2.070 0.008 . 1 . . . . . 75 Q QG . 51043 1 752 . 1 . 1 75 75 GLN HE21 H 1 7.402 0.006 . 1 . . . . . 75 Q QE2 . 51043 1 753 . 1 . 1 75 75 GLN HE22 H 1 7.402 0.006 . 1 . . . . . 75 Q QE2 . 51043 1 754 . 1 . 1 75 75 GLN CA C 13 55.679 0.031 . 1 . . . . . 75 Q CA . 51043 1 755 . 1 . 1 75 75 GLN CB C 13 32.223 0.057 . 1 . . . . . 75 Q CB . 51043 1 756 . 1 . 1 75 75 GLN CG C 13 34.119 0.008 . 1 . . . . . 75 Q CG . 51043 1 757 . 1 . 1 75 75 GLN N N 15 118.439 0.041 . 1 . . . . . 75 Q N . 51043 1 758 . 1 . 1 75 75 GLN NE2 N 15 110.947 0.103 . 1 . . . . . 75 Q NE2 . 51043 1 759 . 1 . 1 76 76 GLU H H 1 8.646 0.009 . 1 . . . . . 76 E HN . 51043 1 760 . 1 . 1 76 76 GLU HA H 1 4.013 0.010 . 1 . . . . . 76 E HA . 51043 1 761 . 1 . 1 76 76 GLU HB2 H 1 1.971 0.010 . 1 . . . . . 76 E HB2 . 51043 1 762 . 1 . 1 76 76 GLU HB3 H 1 2.025 0.010 . 1 . . . . . 76 E HB3 . 51043 1 763 . 1 . 1 76 76 GLU HG2 H 1 2.283 0.005 . 1 . . . . . 76 E QG . 51043 1 764 . 1 . 1 76 76 GLU HG3 H 1 2.283 0.005 . 1 . . . . . 76 E QG . 51043 1 765 . 1 . 1 76 76 GLU CA C 13 59.329 0.000 . 1 . . . . . 76 E CA . 51043 1 766 . 1 . 1 76 76 GLU CB C 13 29.538 0.050 . 1 . . . . . 76 E CB . 51043 1 767 . 1 . 1 76 76 GLU CG C 13 36.185 0.067 . 1 . . . . . 76 E CG . 51043 1 768 . 1 . 1 77 77 LYS H H 1 7.996 0.010 . 1 . . . . . 77 K HN . 51043 1 769 . 1 . 1 77 77 LYS HA H 1 4.646 0.016 . 1 . . . . . 77 K HA . 51043 1 770 . 1 . 1 77 77 LYS HB2 H 1 1.626 0.014 . 2 . . . . . 77 K HB2 . 51043 1 771 . 1 . 1 77 77 LYS HB3 H 1 1.653 0.012 . 2 . . . . . 77 K HB3 . 51043 1 772 . 1 . 1 77 77 LYS HG2 H 1 1.185 0.008 . 1 . . . . . 77 K HG2 . 51043 1 773 . 1 . 1 77 77 LYS HG3 H 1 1.328 0.006 . 1 . . . . . 77 K HG3 . 51043 1 774 . 1 . 1 77 77 LYS HD2 H 1 1.641 0.004 . 1 . . . . . 77 K QD . 51043 1 775 . 1 . 1 77 77 LYS HD3 H 1 1.641 0.004 . 1 . . . . . 77 K QD . 51043 1 776 . 1 . 1 77 77 LYS HE2 H 1 2.927 0.006 . 1 . . . . . 77 K QE . 51043 1 777 . 1 . 1 77 77 LYS HE3 H 1 2.927 0.006 . 1 . . . . . 77 K QE . 51043 1 778 . 1 . 1 77 77 LYS CB C 13 33.950 0.021 . 1 . . . . . 77 K CB . 51043 1 779 . 1 . 1 77 77 LYS CG C 13 24.612 0.065 . 1 . . . . . 77 K CG . 51043 1 780 . 1 . 1 77 77 LYS CD C 13 29.157 0.055 . 1 . . . . . 77 K CD . 51043 1 781 . 1 . 1 77 77 LYS CE C 13 41.963 0.014 . 1 . . . . . 77 K CE . 51043 1 782 . 1 . 1 77 77 LYS N N 15 117.719 0.000 . 1 . . . . . 77 K N . 51043 1 783 . 1 . 1 78 78 ILE H H 1 7.799 0.001 . 1 . . . . . 78 I HN . 51043 1 784 . 1 . 1 78 78 ILE HA H 1 3.828 0.000 . 1 . . . . . 78 I HA . 51043 1 785 . 1 . 1 78 78 ILE HB H 1 1.221 0.009 . 1 . . . . . 78 I HB . 51043 1 786 . 1 . 1 78 78 ILE HG12 H 1 1.085 0.017 . 1 . . . . . 78 I HG12 . 51043 1 787 . 1 . 1 78 78 ILE HG13 H 1 1.190 0.009 . 1 . . . . . 78 I HG13 . 51043 1 788 . 1 . 1 78 78 ILE HG21 H 1 0.523 0.008 . 1 . . . . . 78 I QG2 . 51043 1 789 . 1 . 1 78 78 ILE HG22 H 1 0.523 0.008 . 1 . . . . . 78 I QG2 . 51043 1 790 . 1 . 1 78 78 ILE HG23 H 1 0.523 0.008 . 1 . . . . . 78 I QG2 . 51043 1 791 . 1 . 1 78 78 ILE HD11 H 1 0.638 0.010 . 1 . . . . . 78 I QD1 . 51043 1 792 . 1 . 1 78 78 ILE HD12 H 1 0.638 0.010 . 1 . . . . . 78 I QD1 . 51043 1 793 . 1 . 1 78 78 ILE HD13 H 1 0.638 0.010 . 1 . . . . . 78 I QD1 . 51043 1 794 . 1 . 1 78 78 ILE CA C 13 60.812 0.033 . 1 . . . . . 78 I CA . 51043 1 795 . 1 . 1 78 78 ILE CB C 13 37.323 0.035 . 1 . . . . . 78 I CB . 51043 1 796 . 1 . 1 78 78 ILE CG1 C 13 26.728 0.077 . 1 . . . . . 78 I CG1 . 51043 1 797 . 1 . 1 78 78 ILE CG2 C 13 16.300 0.039 . 1 . . . . . 78 I CG2 . 51043 1 798 . 1 . 1 78 78 ILE CD1 C 13 12.602 0.013 . 1 . . . . . 78 I CD1 . 51043 1 799 . 1 . 1 78 78 ILE N N 15 126.205 0.041 . 1 . . . . . 78 I N . 51043 1 800 . 1 . 1 79 79 THR H H 1 8.164 0.007 . 1 . . . . . 79 T HN . 51043 1 801 . 1 . 1 79 79 THR HA H 1 4.337 0.010 . 1 . . . . . 79 T HA . 51043 1 802 . 1 . 1 79 79 THR HB H 1 4.398 0.007 . 1 . . . . . 79 T HB . 51043 1 803 . 1 . 1 79 79 THR HG21 H 1 1.039 0.008 . 1 . . . . . 79 T QG2 . 51043 1 804 . 1 . 1 79 79 THR HG22 H 1 1.039 0.008 . 1 . . . . . 79 T QG2 . 51043 1 805 . 1 . 1 79 79 THR HG23 H 1 1.039 0.008 . 1 . . . . . 79 T QG2 . 51043 1 806 . 1 . 1 79 79 THR CA C 13 60.609 0.019 . 1 . . . . . 79 T CA . 51043 1 807 . 1 . 1 79 79 THR CB C 13 69.735 0.035 . 1 . . . . . 79 T CB . 51043 1 808 . 1 . 1 79 79 THR CG2 C 13 21.184 0.029 . 1 . . . . . 79 T CG2 . 51043 1 809 . 1 . 1 79 79 THR N N 15 116.368 0.002 . 1 . . . . . 79 T N . 51043 1 810 . 1 . 1 80 80 ARG H H 1 7.569 0.001 . 1 . . . . . 80 R HN . 51043 1 811 . 1 . 1 80 80 ARG HA H 1 4.580 0.003 . 1 . . . . . 80 R HA . 51043 1 812 . 1 . 1 80 80 ARG HB2 H 1 1.951 0.013 . 1 . . . . . 80 R QB . 51043 1 813 . 1 . 1 80 80 ARG HB3 H 1 1.951 0.013 . 1 . . . . . 80 R QB . 51043 1 814 . 1 . 1 80 80 ARG HG2 H 1 1.612 0.012 . 1 . . . . . 80 R HG2 . 51043 1 815 . 1 . 1 80 80 ARG HG3 H 1 1.455 0.007 . 1 . . . . . 80 R HG3 . 51043 1 816 . 1 . 1 80 80 ARG HD2 H 1 3.717 0.012 . 2 . . . . . 80 R HD2 . 51043 1 817 . 1 . 1 80 80 ARG HD3 H 1 2.501 0.009 . 2 . . . . . 80 R HD3 . 51043 1 818 . 1 . 1 80 80 ARG CB C 13 30.684 0.000 . 1 . . . . . 80 R CB . 51043 1 819 . 1 . 1 80 80 ARG CD C 13 43.452 0.025 . 1 . . . . . 80 R CD . 51043 1 820 . 1 . 1 80 80 ARG N N 15 123.878 0.004 . 1 . . . . . 80 R N . 51043 1 821 . 1 . 1 81 81 THR H H 1 8.995 0.005 . 1 . . . . . 81 T HN . 51043 1 822 . 1 . 1 81 81 THR HA H 1 4.588 0.009 . 1 . . . . . 81 T HA . 51043 1 823 . 1 . 1 81 81 THR HB H 1 4.779 0.011 . 1 . . . . . 81 T HB . 51043 1 824 . 1 . 1 81 81 THR HG21 H 1 1.400 0.006 . 1 . . . . . 81 T QG2 . 51043 1 825 . 1 . 1 81 81 THR HG22 H 1 1.400 0.006 . 1 . . . . . 81 T QG2 . 51043 1 826 . 1 . 1 81 81 THR HG23 H 1 1.400 0.006 . 1 . . . . . 81 T QG2 . 51043 1 827 . 1 . 1 81 81 THR CA C 13 60.785 0.000 . 1 . . . . . 81 T CA . 51043 1 828 . 1 . 1 81 81 THR CG2 C 13 21.945 0.051 . 1 . . . . . 81 T CG2 . 51043 1 829 . 1 . 1 81 81 THR N N 15 113.487 0.000 . 1 . . . . . 81 T N . 51043 1 830 . 1 . 1 82 82 LYS H H 1 8.836 0.030 . 1 . . . . . 82 K HN . 51043 1 831 . 1 . 1 82 82 LYS HA H 1 3.413 0.009 . 1 . . . . . 82 K HA . 51043 1 832 . 1 . 1 82 82 LYS HB2 H 1 1.343 0.010 . 1 . . . . . 82 K HB2 . 51043 1 833 . 1 . 1 82 82 LYS HB3 H 1 1.073 0.013 . 1 . . . . . 82 K HB3 . 51043 1 834 . 1 . 1 82 82 LYS HG2 H 1 0.753 0.013 . 1 . . . . . 82 K HG2 . 51043 1 835 . 1 . 1 82 82 LYS HG3 H 1 1.013 0.006 . 1 . . . . . 82 K HG3 . 51043 1 836 . 1 . 1 82 82 LYS HD2 H 1 1.461 0.008 . 1 . . . . . 82 K QD . 51043 1 837 . 1 . 1 82 82 LYS HD3 H 1 1.461 0.008 . 1 . . . . . 82 K QD . 51043 1 838 . 1 . 1 82 82 LYS HE2 H 1 2.786 0.009 . 1 . . . . . 82 K QE . 51043 1 839 . 1 . 1 82 82 LYS HE3 H 1 2.786 0.009 . 1 . . . . . 82 K QE . 51043 1 840 . 1 . 1 82 82 LYS CA C 13 60.374 0.048 . 1 . . . . . 82 K CA . 51043 1 841 . 1 . 1 82 82 LYS CB C 13 31.944 0.058 . 1 . . . . . 82 K CB . 51043 1 842 . 1 . 1 82 82 LYS CG C 13 24.336 0.062 . 1 . . . . . 82 K CG . 51043 1 843 . 1 . 1 82 82 LYS CD C 13 29.687 0.005 . 1 . . . . . 82 K CD . 51043 1 844 . 1 . 1 82 82 LYS CE C 13 41.647 0.016 . 1 . . . . . 82 K CE . 51043 1 845 . 1 . 1 82 82 LYS N N 15 122.446 0.037 . 1 . . . . . 82 K N . 51043 1 846 . 1 . 1 83 83 GLU H H 1 8.533 0.001 . 1 . . . . . 83 E HN . 51043 1 847 . 1 . 1 83 83 GLU HA H 1 3.877 0.005 . 1 . . . . . 83 E HA . 51043 1 848 . 1 . 1 83 83 GLU HB2 H 1 2.040 0.009 . 1 . . . . . 83 E HB2 . 51043 1 849 . 1 . 1 83 83 GLU HB3 H 1 1.889 0.011 . 1 . . . . . 83 E HB3 . 51043 1 850 . 1 . 1 83 83 GLU HG2 H 1 2.192 0.016 . 1 . . . . . 83 E HG2 . 51043 1 851 . 1 . 1 83 83 GLU HG3 H 1 2.425 0.007 . 1 . . . . . 83 E HG3 . 51043 1 852 . 1 . 1 83 83 GLU CA C 13 60.735 0.082 . 1 . . . . . 83 E CA . 51043 1 853 . 1 . 1 83 83 GLU CB C 13 28.420 0.063 . 1 . . . . . 83 E CB . 51043 1 854 . 1 . 1 83 83 GLU CG C 13 37.200 0.162 . 1 . . . . . 83 E CG . 51043 1 855 . 1 . 1 83 83 GLU N N 15 118.348 0.057 . 1 . . . . . 83 E N . 51043 1 856 . 1 . 1 84 84 GLU H H 1 7.943 0.011 . 1 . . . . . 84 E HN . 51043 1 857 . 1 . 1 84 84 GLU HA H 1 3.937 0.005 . 1 . . . . . 84 E HA . 51043 1 858 . 1 . 1 84 84 GLU HB2 H 1 1.895 0.010 . 2 . . . . . 84 E HB2 . 51043 1 859 . 1 . 1 84 84 GLU HB3 H 1 2.400 0.013 . 2 . . . . . 84 E HB3 . 51043 1 860 . 1 . 1 84 84 GLU HG2 H 1 2.358 0.009 . 1 . . . . . 84 E QG . 51043 1 861 . 1 . 1 84 84 GLU HG3 H 1 2.358 0.009 . 1 . . . . . 84 E QG . 51043 1 862 . 1 . 1 84 84 GLU CA C 13 58.869 0.046 . 1 . . . . . 84 E CA . 51043 1 863 . 1 . 1 84 84 GLU CB C 13 30.097 0.000 . 1 . . . . . 84 E CB . 51043 1 864 . 1 . 1 84 84 GLU CG C 13 36.945 0.063 . 1 . . . . . 84 E CG . 51043 1 865 . 1 . 1 84 84 GLU N N 15 121.794 0.040 . 1 . . . . . 84 E N . 51043 1 866 . 1 . 1 85 85 ALA H H 1 8.643 0.009 . 1 . . . . . 85 A HN . 51043 1 867 . 1 . 1 85 85 ALA HA H 1 3.971 0.010 . 1 . . . . . 85 A HA . 51043 1 868 . 1 . 1 85 85 ALA HB1 H 1 1.408 0.005 . 1 . . . . . 85 A HB# . 51043 1 869 . 1 . 1 85 85 ALA HB2 H 1 1.408 0.005 . 1 . . . . . 85 A HB# . 51043 1 870 . 1 . 1 85 85 ALA HB3 H 1 1.408 0.005 . 1 . . . . . 85 A HB# . 51043 1 871 . 1 . 1 85 85 ALA CA C 13 54.925 0.044 . 1 . . . . . 85 A CA . 51043 1 872 . 1 . 1 85 85 ALA CB C 13 18.682 0.024 . 1 . . . . . 85 A CB . 51043 1 873 . 1 . 1 85 85 ALA N N 15 122.269 0.301 . 1 . . . . . 85 A N . 51043 1 874 . 1 . 1 86 86 LEU H H 1 8.182 0.003 . 1 . . . . . 86 L HN . 51043 1 875 . 1 . 1 86 86 LEU HA H 1 3.864 0.008 . 1 . . . . . 86 L HA . 51043 1 876 . 1 . 1 86 86 LEU HB2 H 1 2.002 0.008 . 1 . . . . . 86 L HB2 . 51043 1 877 . 1 . 1 86 86 LEU HB3 H 1 1.421 0.009 . 1 . . . . . 86 L HB3 . 51043 1 878 . 1 . 1 86 86 LEU HG H 1 1.661 0.008 . 1 . . . . . 86 L HG . 51043 1 879 . 1 . 1 86 86 LEU HD11 H 1 1.004 0.011 . 1 . . . . . 86 L QD1 . 51043 1 880 . 1 . 1 86 86 LEU HD12 H 1 1.004 0.011 . 1 . . . . . 86 L QD1 . 51043 1 881 . 1 . 1 86 86 LEU HD13 H 1 1.004 0.011 . 1 . . . . . 86 L QD1 . 51043 1 882 . 1 . 1 86 86 LEU HD21 H 1 1.068 0.006 . 1 . . . . . 86 L QD2 . 51043 1 883 . 1 . 1 86 86 LEU HD22 H 1 1.068 0.006 . 1 . . . . . 86 L QD2 . 51043 1 884 . 1 . 1 86 86 LEU HD23 H 1 1.068 0.006 . 1 . . . . . 86 L QD2 . 51043 1 885 . 1 . 1 86 86 LEU CA C 13 57.304 0.042 . 1 . . . . . 86 L CA . 51043 1 886 . 1 . 1 86 86 LEU CB C 13 41.266 0.009 . 1 . . . . . 86 L CB . 51043 1 887 . 1 . 1 86 86 LEU CG C 13 26.845 0.073 . 1 . . . . . 86 L CG . 51043 1 888 . 1 . 1 86 86 LEU CD1 C 13 22.920 0.034 . 1 . . . . . 86 L CD1 . 51043 1 889 . 1 . 1 86 86 LEU CD2 C 13 25.827 0.045 . 1 . . . . . 86 L CD2 . 51043 1 890 . 1 . 1 86 86 LEU N N 15 120.243 0.240 . 1 . . . . . 86 L N . 51043 1 891 . 1 . 1 87 87 GLU H H 1 7.668 0.002 . 1 . . . . . 87 E HN . 51043 1 892 . 1 . 1 87 87 GLU HA H 1 4.020 0.014 . 1 . . . . . 87 E HA . 51043 1 893 . 1 . 1 87 87 GLU HB2 H 1 2.017 0.008 . 2 . . . . . 87 E HB2 . 51043 1 894 . 1 . 1 87 87 GLU HB3 H 1 2.050 0.013 . 2 . . . . . 87 E HB3 . 51043 1 895 . 1 . 1 87 87 GLU HG2 H 1 2.281 0.004 . 1 . . . . . 87 E QG . 51043 1 896 . 1 . 1 87 87 GLU HG3 H 1 2.281 0.004 . 1 . . . . . 87 E QG . 51043 1 897 . 1 . 1 87 87 GLU CA C 13 59.276 0.091 . 1 . . . . . 87 E CA . 51043 1 898 . 1 . 1 87 87 GLU CB C 13 29.061 0.052 . 1 . . . . . 87 E CB . 51043 1 899 . 1 . 1 87 87 GLU CG C 13 35.872 0.021 . 1 . . . . . 87 E CG . 51043 1 900 . 1 . 1 87 87 GLU N N 15 119.298 0.037 . 1 . . . . . 87 E N . 51043 1 901 . 1 . 1 88 88 LEU H H 1 7.747 0.013 . 1 . . . . . 88 L HN . 51043 1 902 . 1 . 1 88 88 LEU HA H 1 3.609 0.008 . 1 . . . . . 88 L HA . 51043 1 903 . 1 . 1 88 88 LEU HB2 H 1 1.919 0.008 . 1 . . . . . 88 L HB2 . 51043 1 904 . 1 . 1 88 88 LEU HB3 H 1 0.966 0.012 . 1 . . . . . 88 L HB3 . 51043 1 905 . 1 . 1 88 88 LEU HG H 1 1.520 0.006 . 1 . . . . . 88 L HG . 51043 1 906 . 1 . 1 88 88 LEU HD11 H 1 0.796 0.011 . 1 . . . . . 88 L QD1 . 51043 1 907 . 1 . 1 88 88 LEU HD12 H 1 0.796 0.011 . 1 . . . . . 88 L QD1 . 51043 1 908 . 1 . 1 88 88 LEU HD13 H 1 0.796 0.011 . 1 . . . . . 88 L QD1 . 51043 1 909 . 1 . 1 88 88 LEU HD21 H 1 0.633 0.007 . 1 . . . . . 88 L QD2 . 51043 1 910 . 1 . 1 88 88 LEU HD22 H 1 0.633 0.007 . 1 . . . . . 88 L QD2 . 51043 1 911 . 1 . 1 88 88 LEU HD23 H 1 0.633 0.007 . 1 . . . . . 88 L QD2 . 51043 1 912 . 1 . 1 88 88 LEU CA C 13 57.590 0.018 . 1 . . . . . 88 L CA . 51043 1 913 . 1 . 1 88 88 LEU CB C 13 41.468 0.024 . 1 . . . . . 88 L CB . 51043 1 914 . 1 . 1 88 88 LEU CG C 13 26.837 0.052 . 1 . . . . . 88 L CG . 51043 1 915 . 1 . 1 88 88 LEU CD1 C 13 25.336 0.048 . 1 . . . . . 88 L CD1 . 51043 1 916 . 1 . 1 88 88 LEU CD2 C 13 22.577 0.009 . 1 . . . . . 88 L CD2 . 51043 1 917 . 1 . 1 88 88 LEU N N 15 121.229 0.044 . 1 . . . . . 88 L N . 51043 1 918 . 1 . 1 89 89 ILE H H 1 8.032 0.010 . 1 . . . . . 89 I HN . 51043 1 919 . 1 . 1 89 89 ILE HA H 1 3.628 0.003 . 1 . . . . . 89 I HA . 51043 1 920 . 1 . 1 89 89 ILE HB H 1 2.291 0.009 . 1 . . . . . 89 I HB . 51043 1 921 . 1 . 1 89 89 ILE HG12 H 1 1.178 0.007 . 1 . . . . . 89 I QG1 . 51043 1 922 . 1 . 1 89 89 ILE HG13 H 1 1.178 0.007 . 1 . . . . . 89 I QG1 . 51043 1 923 . 1 . 1 89 89 ILE HG21 H 1 0.770 0.007 . 1 . . . . . 89 I QG2 . 51043 1 924 . 1 . 1 89 89 ILE HG22 H 1 0.770 0.007 . 1 . . . . . 89 I QG2 . 51043 1 925 . 1 . 1 89 89 ILE HG23 H 1 0.770 0.007 . 1 . . . . . 89 I QG2 . 51043 1 926 . 1 . 1 89 89 ILE HD11 H 1 0.712 0.007 . 1 . . . . . 89 I QD1 . 51043 1 927 . 1 . 1 89 89 ILE HD12 H 1 0.712 0.007 . 1 . . . . . 89 I QD1 . 51043 1 928 . 1 . 1 89 89 ILE HD13 H 1 0.712 0.007 . 1 . . . . . 89 I QD1 . 51043 1 929 . 1 . 1 89 89 ILE CA C 13 62.402 0.064 . 1 . . . . . 89 I CA . 51043 1 930 . 1 . 1 89 89 ILE CB C 13 35.228 0.032 . 1 . . . . . 89 I CB . 51043 1 931 . 1 . 1 89 89 ILE CG1 C 13 27.246 0.052 . 1 . . . . . 89 I CG1 . 51043 1 932 . 1 . 1 89 89 ILE CG2 C 13 16.424 0.012 . 1 . . . . . 89 I CG2 . 51043 1 933 . 1 . 1 89 89 ILE CD1 C 13 10.407 0.034 . 1 . . . . . 89 I CD1 . 51043 1 934 . 1 . 1 89 89 ILE N N 15 120.177 0.068 . 1 . . . . . 89 I N . 51043 1 935 . 1 . 1 90 90 ASN H H 1 8.711 0.007 . 1 . . . . . 90 N HN . 51043 1 936 . 1 . 1 90 90 ASN HA H 1 4.500 0.015 . 1 . . . . . 90 N HA . 51043 1 937 . 1 . 1 90 90 ASN HB2 H 1 2.763 0.009 . 1 . . . . . 90 N HB2 . 51043 1 938 . 1 . 1 90 90 ASN HB3 H 1 2.612 0.012 . 1 . . . . . 90 N HB3 . 51043 1 939 . 1 . 1 90 90 ASN HD21 H 1 7.247 0.000 . 1 . . . . . 90 N QD2 . 51043 1 940 . 1 . 1 90 90 ASN HD22 H 1 7.247 0.000 . 1 . . . . . 90 N QD2 . 51043 1 941 . 1 . 1 90 90 ASN CA C 13 55.701 0.091 . 1 . . . . . 90 N CA . 51043 1 942 . 1 . 1 90 90 ASN CB C 13 37.637 0.069 . 1 . . . . . 90 N CB . 51043 1 943 . 1 . 1 90 90 ASN N N 15 118.884 0.054 . 1 . . . . . 90 N N . 51043 1 944 . 1 . 1 90 90 ASN ND2 N 15 109.753 0.095 . 1 . . . . . 90 N ND2 . 51043 1 945 . 1 . 1 91 91 GLY H H 1 7.956 0.008 . 1 . . . . . 91 G HN . 51043 1 946 . 1 . 1 91 91 GLY HA2 H 1 3.849 0.017 . 2 . . . . . 91 G HA1 . 51043 1 947 . 1 . 1 91 91 GLY HA3 H 1 3.845 0.007 . 2 . . . . . 91 G HA2 . 51043 1 948 . 1 . 1 91 91 GLY CA C 13 46.996 0.019 . 1 . . . . . 91 G CA . 51043 1 949 . 1 . 1 91 91 GLY N N 15 109.969 0.007 . 1 . . . . . 91 G N . 51043 1 950 . 1 . 1 92 92 TYR H H 1 8.086 0.005 . 1 . . . . . 92 Y HN . 51043 1 951 . 1 . 1 92 92 TYR HA H 1 4.420 0.019 . 1 . . . . . 92 Y HA . 51043 1 952 . 1 . 1 92 92 TYR HB2 H 1 3.148 0.014 . 1 . . . . . 92 Y HB2 . 51043 1 953 . 1 . 1 92 92 TYR HB3 H 1 2.836 0.012 . 1 . . . . . 92 Y HB3 . 51043 1 954 . 1 . 1 92 92 TYR HD1 H 1 6.632 0.017 . 1 . . . . . 92 Y QD . 51043 1 955 . 1 . 1 92 92 TYR HD2 H 1 6.632 0.017 . 1 . . . . . 92 Y QD . 51043 1 956 . 1 . 1 92 92 TYR HE1 H 1 6.145 0.006 . 1 . . . . . 92 Y QE . 51043 1 957 . 1 . 1 92 92 TYR HE2 H 1 6.145 0.006 . 1 . . . . . 92 Y QE . 51043 1 958 . 1 . 1 92 92 TYR CA C 13 58.510 0.001 . 1 . . . . . 92 Y CA . 51043 1 959 . 1 . 1 92 92 TYR CB C 13 35.876 0.064 . 1 . . . . . 92 Y CB . 51043 1 960 . 1 . 1 92 92 TYR CD2 C 13 131.282 0.000 . 3 . . . . . 92 Y CD2 . 51043 1 961 . 1 . 1 92 92 TYR CE2 C 13 117.217 0.000 . 3 . . . . . 92 Y CE2 . 51043 1 962 . 1 . 1 92 92 TYR N N 15 122.846 0.273 . 1 . . . . . 92 Y N . 51043 1 963 . 1 . 1 93 93 ILE H H 1 8.644 0.011 . 1 . . . . . 93 I HN . 51043 1 964 . 1 . 1 93 93 ILE HA H 1 3.516 0.008 . 1 . . . . . 93 I HA . 51043 1 965 . 1 . 1 93 93 ILE HB H 1 2.055 0.008 . 1 . . . . . 93 I HB . 51043 1 966 . 1 . 1 93 93 ILE HG12 H 1 0.985 0.009 . 1 . . . . . 93 I HG12 . 51043 1 967 . 1 . 1 93 93 ILE HG13 H 1 2.090 0.008 . 1 . . . . . 93 I HG13 . 51043 1 968 . 1 . 1 93 93 ILE HG21 H 1 0.989 0.007 . 1 . . . . . 93 I QG2 . 51043 1 969 . 1 . 1 93 93 ILE HG22 H 1 0.989 0.007 . 1 . . . . . 93 I QG2 . 51043 1 970 . 1 . 1 93 93 ILE HG23 H 1 0.989 0.007 . 1 . . . . . 93 I QG2 . 51043 1 971 . 1 . 1 93 93 ILE HD11 H 1 0.986 0.005 . 1 . . . . . 93 I QD1 . 51043 1 972 . 1 . 1 93 93 ILE HD12 H 1 0.986 0.005 . 1 . . . . . 93 I QD1 . 51043 1 973 . 1 . 1 93 93 ILE HD13 H 1 0.986 0.005 . 1 . . . . . 93 I QD1 . 51043 1 974 . 1 . 1 93 93 ILE CA C 13 67.001 0.016 . 1 . . . . . 93 I CA . 51043 1 975 . 1 . 1 93 93 ILE CB C 13 38.120 0.031 . 1 . . . . . 93 I CB . 51043 1 976 . 1 . 1 93 93 ILE CG1 C 13 30.639 0.043 . 1 . . . . . 93 I CG1 . 51043 1 977 . 1 . 1 93 93 ILE CG2 C 13 17.121 0.061 . 1 . . . . . 93 I CG2 . 51043 1 978 . 1 . 1 93 93 ILE CD1 C 13 14.306 0.000 . 1 . . . . . 93 I CD1 . 51043 1 979 . 1 . 1 93 93 ILE N N 15 118.830 0.019 . 1 . . . . . 93 I N . 51043 1 980 . 1 . 1 94 94 GLN H H 1 7.792 0.007 . 1 . . . . . 94 Q HN . 51043 1 981 . 1 . 1 94 94 GLN HA H 1 4.041 0.008 . 1 . . . . . 94 Q HA . 51043 1 982 . 1 . 1 94 94 GLN HB2 H 1 2.256 0.016 . 2 . . . . . 94 Q HB2 . 51043 1 983 . 1 . 1 94 94 GLN HB3 H 1 2.205 0.014 . 2 . . . . . 94 Q HB3 . 51043 1 984 . 1 . 1 94 94 GLN HG2 H 1 2.482 0.008 . 1 . . . . . 94 Q QG . 51043 1 985 . 1 . 1 94 94 GLN HG3 H 1 2.482 0.008 . 1 . . . . . 94 Q QG . 51043 1 986 . 1 . 1 94 94 GLN HE21 H 1 6.884 0.003 . 2 . . . . . 94 Q HE21 . 51043 1 987 . 1 . 1 94 94 GLN HE22 H 1 7.463 0.003 . 2 . . . . . 94 Q HE22 . 51043 1 988 . 1 . 1 94 94 GLN CA C 13 59.087 0.049 . 1 . . . . . 94 Q CA . 51043 1 989 . 1 . 1 94 94 GLN CB C 13 27.786 0.055 . 1 . . . . . 94 Q CB . 51043 1 990 . 1 . 1 94 94 GLN CG C 13 33.410 0.011 . 1 . . . . . 94 Q CG . 51043 1 991 . 1 . 1 94 94 GLN N N 15 117.568 0.045 . 1 . . . . . 94 Q N . 51043 1 992 . 1 . 1 94 94 GLN NE2 N 15 111.976 0.072 . 1 . . . . . 94 Q NE2 . 51043 1 993 . 1 . 1 95 95 LYS H H 1 8.058 0.008 . 1 . . . . . 95 K HN . 51043 1 994 . 1 . 1 95 95 LYS HA H 1 4.094 0.015 . 1 . . . . . 95 K HA . 51043 1 995 . 1 . 1 95 95 LYS HB2 H 1 2.114 0.012 . 1 . . . . . 95 K HB2 . 51043 1 996 . 1 . 1 95 95 LYS HB3 H 1 1.652 0.010 . 1 . . . . . 95 K HB3 . 51043 1 997 . 1 . 1 95 95 LYS HG2 H 1 1.718 0.007 . 1 . . . . . 95 K QG . 51043 1 998 . 1 . 1 95 95 LYS HG3 H 1 1.718 0.007 . 1 . . . . . 95 K QG . 51043 1 999 . 1 . 1 95 95 LYS HD2 H 1 1.702 0.008 . 1 . . . . . 95 K QD . 51043 1 1000 . 1 . 1 95 95 LYS HD3 H 1 1.702 0.008 . 1 . . . . . 95 K QD . 51043 1 1001 . 1 . 1 95 95 LYS HE2 H 1 2.961 0.015 . 1 . . . . . 95 K QE . 51043 1 1002 . 1 . 1 95 95 LYS HE3 H 1 2.961 0.015 . 1 . . . . . 95 K QE . 51043 1 1003 . 1 . 1 95 95 LYS CA C 13 59.599 0.061 . 1 . . . . . 95 K CA . 51043 1 1004 . 1 . 1 95 95 LYS CB C 13 33.485 0.035 . 1 . . . . . 95 K CB . 51043 1 1005 . 1 . 1 95 95 LYS CG C 13 25.853 0.058 . 1 . . . . . 95 K CG . 51043 1 1006 . 1 . 1 95 95 LYS CD C 13 29.769 0.013 . 1 . . . . . 95 K CD . 51043 1 1007 . 1 . 1 95 95 LYS CE C 13 41.960 0.024 . 1 . . . . . 95 K CE . 51043 1 1008 . 1 . 1 95 95 LYS N N 15 120.210 0.040 . 1 . . . . . 95 K N . 51043 1 1009 . 1 . 1 96 96 ILE H H 1 8.170 0.008 . 1 . . . . . 96 I HN . 51043 1 1010 . 1 . 1 96 96 ILE HA H 1 4.295 0.008 . 1 . . . . . 96 I HA . 51043 1 1011 . 1 . 1 96 96 ILE HB H 1 1.823 0.013 . 1 . . . . . 96 I HB . 51043 1 1012 . 1 . 1 96 96 ILE HG12 H 1 0.650 0.014 . 1 . . . . . 96 I HG12 . 51043 1 1013 . 1 . 1 96 96 ILE HG13 H 1 1.810 0.004 . 1 . . . . . 96 I HG13 . 51043 1 1014 . 1 . 1 96 96 ILE HG21 H 1 1.117 0.013 . 1 . . . . . 96 I QG2 . 51043 1 1015 . 1 . 1 96 96 ILE HG22 H 1 1.117 0.013 . 1 . . . . . 96 I QG2 . 51043 1 1016 . 1 . 1 96 96 ILE HG23 H 1 1.117 0.013 . 1 . . . . . 96 I QG2 . 51043 1 1017 . 1 . 1 96 96 ILE HD11 H 1 0.819 0.010 . 1 . . . . . 96 I QD1 . 51043 1 1018 . 1 . 1 96 96 ILE HD12 H 1 0.819 0.010 . 1 . . . . . 96 I QD1 . 51043 1 1019 . 1 . 1 96 96 ILE HD13 H 1 0.819 0.010 . 1 . . . . . 96 I QD1 . 51043 1 1020 . 1 . 1 96 96 ILE CA C 13 63.807 0.054 . 1 . . . . . 96 I CA . 51043 1 1021 . 1 . 1 96 96 ILE CB C 13 38.945 0.030 . 1 . . . . . 96 I CB . 51043 1 1022 . 1 . 1 96 96 ILE CG1 C 13 29.500 0.042 . 1 . . . . . 96 I CG1 . 51043 1 1023 . 1 . 1 96 96 ILE CG2 C 13 18.150 0.008 . 1 . . . . . 96 I CG2 . 51043 1 1024 . 1 . 1 96 96 ILE CD1 C 13 14.757 0.011 . 1 . . . . . 96 I CD1 . 51043 1 1025 . 1 . 1 96 96 ILE N N 15 119.949 0.000 . 1 . . . . . 96 I N . 51043 1 1026 . 1 . 1 97 97 LYS H H 1 9.046 0.001 . 1 . . . . . 97 K HN . 51043 1 1027 . 1 . 1 97 97 LYS HA H 1 4.102 0.015 . 1 . . . . . 97 K HA . 51043 1 1028 . 1 . 1 97 97 LYS HB2 H 1 1.908 0.010 . 1 . . . . . 97 K HB2 . 51043 1 1029 . 1 . 1 97 97 LYS HB3 H 1 1.945 0.017 . 1 . . . . . 97 K HB3 . 51043 1 1030 . 1 . 1 97 97 LYS HG2 H 1 1.730 0.008 . 1 . . . . . 97 K QG . 51043 1 1031 . 1 . 1 97 97 LYS HG3 H 1 1.730 0.008 . 1 . . . . . 97 K QG . 51043 1 1032 . 1 . 1 97 97 LYS HD2 H 1 1.707 0.004 . 1 . . . . . 97 K QD . 51043 1 1033 . 1 . 1 97 97 LYS HD3 H 1 1.707 0.004 . 1 . . . . . 97 K QD . 51043 1 1034 . 1 . 1 97 97 LYS HE2 H 1 2.996 0.010 . 2 . . . . . 97 K HE2 . 51043 1 1035 . 1 . 1 97 97 LYS HE3 H 1 3.009 0.014 . 2 . . . . . 97 K HE3 . 51043 1 1036 . 1 . 1 97 97 LYS CA C 13 59.905 0.000 . 1 . . . . . 97 K CA . 51043 1 1037 . 1 . 1 97 97 LYS CB C 13 32.430 0.032 . 1 . . . . . 97 K CB . 51043 1 1038 . 1 . 1 97 97 LYS CG C 13 26.120 0.048 . 1 . . . . . 97 K CG . 51043 1 1039 . 1 . 1 97 97 LYS CD C 13 29.306 0.048 . 1 . . . . . 97 K CD . 51043 1 1040 . 1 . 1 97 97 LYS CE C 13 42.010 0.015 . 1 . . . . . 97 K CE . 51043 1 1041 . 1 . 1 97 97 LYS N N 15 120.744 0.015 . 1 . . . . . 97 K N . 51043 1 1042 . 1 . 1 98 98 SER H H 1 8.147 0.007 . 1 . . . . . 98 S HN . 51043 1 1043 . 1 . 1 98 98 SER HA H 1 4.436 0.012 . 1 . . . . . 98 S HA . 51043 1 1044 . 1 . 1 98 98 SER HB2 H 1 4.113 0.017 . 2 . . . . . 98 S HB2 . 51043 1 1045 . 1 . 1 98 98 SER HB3 H 1 4.069 0.009 . 2 . . . . . 98 S HB3 . 51043 1 1046 . 1 . 1 98 98 SER CA C 13 59.178 0.042 . 1 . . . . . 98 S CA . 51043 1 1047 . 1 . 1 98 98 SER CB C 13 63.966 0.023 . 1 . . . . . 98 S CB . 51043 1 1048 . 1 . 1 98 98 SER N N 15 111.698 0.315 . 1 . . . . . 98 S N . 51043 1 1049 . 1 . 1 99 99 GLY H H 1 7.810 0.007 . 1 . . . . . 99 G HN . 51043 1 1050 . 1 . 1 99 99 GLY HA2 H 1 4.226 0.008 . 1 . . . . . 99 G HA1 . 51043 1 1051 . 1 . 1 99 99 GLY HA3 H 1 3.904 0.010 . 1 . . . . . 99 G HA2 . 51043 1 1052 . 1 . 1 99 99 GLY CA C 13 45.420 0.045 . 1 . . . . . 99 G CA . 51043 1 1053 . 1 . 1 99 99 GLY N N 15 110.231 0.019 . 1 . . . . . 99 G N . 51043 1 1054 . 1 . 1 100 100 GLU H H 1 8.256 0.004 . 1 . . . . . 100 E HN . 51043 1 1055 . 1 . 1 100 100 GLU HA H 1 4.020 0.008 . 1 . . . . . 100 E HA . 51043 1 1056 . 1 . 1 100 100 GLU HB2 H 1 2.040 0.005 . 2 . . . . . 100 E HB2 . 51043 1 1057 . 1 . 1 100 100 GLU HB3 H 1 2.039 0.006 . 2 . . . . . 100 E HB3 . 51043 1 1058 . 1 . 1 100 100 GLU HG2 H 1 2.343 0.013 . 1 . . . . . 100 E QG . 51043 1 1059 . 1 . 1 100 100 GLU HG3 H 1 2.343 0.013 . 1 . . . . . 100 E QG . 51043 1 1060 . 1 . 1 100 100 GLU CA C 13 58.790 0.030 . 1 . . . . . 100 E CA . 51043 1 1061 . 1 . 1 100 100 GLU CB C 13 30.918 0.033 . 1 . . . . . 100 E CB . 51043 1 1062 . 1 . 1 100 100 GLU CG C 13 36.885 0.000 . 1 . . . . . 100 E CG . 51043 1 1063 . 1 . 1 100 100 GLU N N 15 121.692 0.001 . 1 . . . . . 100 E N . 51043 1 1064 . 1 . 1 101 101 GLU H H 1 7.376 0.003 . 1 . . . . . 101 E HN . 51043 1 1065 . 1 . 1 101 101 GLU HA H 1 4.625 0.016 . 1 . . . . . 101 E HA . 51043 1 1066 . 1 . 1 101 101 GLU HB2 H 1 1.963 0.008 . 1 . . . . . 101 E HB2 . 51043 1 1067 . 1 . 1 101 101 GLU HB3 H 1 1.351 0.013 . 1 . . . . . 101 E HB3 . 51043 1 1068 . 1 . 1 101 101 GLU HG2 H 1 2.218 0.009 . 1 . . . . . 101 E QG . 51043 1 1069 . 1 . 1 101 101 GLU HG3 H 1 2.218 0.009 . 1 . . . . . 101 E QG . 51043 1 1070 . 1 . 1 101 101 GLU CA C 13 54.058 0.059 . 1 . . . . . 101 E CA . 51043 1 1071 . 1 . 1 101 101 GLU CB C 13 34.230 0.037 . 1 . . . . . 101 E CB . 51043 1 1072 . 1 . 1 101 101 GLU CG C 13 35.900 0.009 . 1 . . . . . 101 E CG . 51043 1 1073 . 1 . 1 101 101 GLU N N 15 114.292 0.004 . 1 . . . . . 101 E N . 51043 1 1074 . 1 . 1 102 102 ASP H H 1 8.346 0.009 . 1 . . . . . 102 D HN . 51043 1 1075 . 1 . 1 102 102 ASP HA H 1 4.874 0.007 . 1 . . . . . 102 D HA . 51043 1 1076 . 1 . 1 102 102 ASP HB2 H 1 2.934 0.008 . 1 . . . . . 102 D QB . 51043 1 1077 . 1 . 1 102 102 ASP HB3 H 1 2.934 0.008 . 1 . . . . . 102 D QB . 51043 1 1078 . 1 . 1 102 102 ASP CA C 13 52.354 0.024 . 1 . . . . . 102 D CA . 51043 1 1079 . 1 . 1 102 102 ASP CB C 13 42.814 0.086 . 1 . . . . . 102 D CB . 51043 1 1080 . 1 . 1 102 102 ASP N N 15 118.588 0.001 . 1 . . . . . 102 D N . 51043 1 1081 . 1 . 1 103 103 PHE H H 1 9.106 0.000 . 1 . . . . . 103 F HN . 51043 1 1082 . 1 . 1 103 103 PHE HA H 1 3.625 0.019 . 1 . . . . . 103 F HA . 51043 1 1083 . 1 . 1 103 103 PHE HB2 H 1 3.053 0.014 . 1 . . . . . 103 F QB . 51043 1 1084 . 1 . 1 103 103 PHE HB3 H 1 3.053 0.014 . 1 . . . . . 103 F QB . 51043 1 1085 . 1 . 1 103 103 PHE HD1 H 1 7.023 0.016 . 1 . . . . . 103 F QD . 51043 1 1086 . 1 . 1 103 103 PHE HD2 H 1 7.023 0.016 . 1 . . . . . 103 F QD . 51043 1 1087 . 1 . 1 103 103 PHE HE1 H 1 6.921 0.020 . 1 . . . . . 103 F QE . 51043 1 1088 . 1 . 1 103 103 PHE HE2 H 1 6.921 0.020 . 1 . . . . . 103 F QE . 51043 1 1089 . 1 . 1 103 103 PHE CA C 13 62.634 0.108 . 1 . . . . . 103 F CA . 51043 1 1090 . 1 . 1 103 103 PHE CB C 13 40.237 0.043 . 1 . . . . . 103 F CB . 51043 1 1091 . 1 . 1 103 103 PHE CD1 C 13 131.966 0.000 . 3 . . . . . 103 F CD1 . 51043 1 1092 . 1 . 1 103 103 PHE CE1 C 13 130.127 0.000 . 3 . . . . . 103 F CE1 . 51043 1 1093 . 1 . 1 103 103 PHE N N 15 122.311 0.029 . 1 . . . . . 103 F N . 51043 1 1094 . 1 . 1 104 104 GLU H H 1 8.976 0.000 . 1 . . . . . 104 E HN . 51043 1 1095 . 1 . 1 104 104 GLU HA H 1 3.815 0.009 . 1 . . . . . 104 E HA . 51043 1 1096 . 1 . 1 104 104 GLU HB2 H 1 2.223 0.009 . 1 . . . . . 104 E HB2 . 51043 1 1097 . 1 . 1 104 104 GLU HB3 H 1 2.004 0.005 . 1 . . . . . 104 E HB3 . 51043 1 1098 . 1 . 1 104 104 GLU HG2 H 1 2.605 0.008 . 1 . . . . . 104 E QG . 51043 1 1099 . 1 . 1 104 104 GLU HG3 H 1 2.605 0.008 . 1 . . . . . 104 E QG . 51043 1 1100 . 1 . 1 104 104 GLU CA C 13 60.433 0.055 . 1 . . . . . 104 E CA . 51043 1 1101 . 1 . 1 104 104 GLU CB C 13 29.517 0.048 . 1 . . . . . 104 E CB . 51043 1 1102 . 1 . 1 104 104 GLU CG C 13 37.754 0.029 . 1 . . . . . 104 E CG . 51043 1 1103 . 1 . 1 104 104 GLU N N 15 116.680 0.051 . 1 . . . . . 104 E N . 51043 1 1104 . 1 . 1 105 105 SER H H 1 8.060 0.012 . 1 . . . . . 105 S HN . 51043 1 1105 . 1 . 1 105 105 SER HA H 1 4.133 0.006 . 1 . . . . . 105 S HA . 51043 1 1106 . 1 . 1 105 105 SER HB2 H 1 3.931 0.004 . 1 . . . . . 105 S HB2 . 51043 1 1107 . 1 . 1 105 105 SER HB3 H 1 3.985 0.017 . 1 . . . . . 105 S HB3 . 51043 1 1108 . 1 . 1 105 105 SER CA C 13 61.208 0.086 . 1 . . . . . 105 S CA . 51043 1 1109 . 1 . 1 105 105 SER CB C 13 62.535 0.028 . 1 . . . . . 105 S CB . 51043 1 1110 . 1 . 1 105 105 SER N N 15 115.996 0.063 . 1 . . . . . 105 S N . 51043 1 1111 . 1 . 1 106 106 LEU H H 1 7.679 0.007 . 1 . . . . . 106 L HN . 51043 1 1112 . 1 . 1 106 106 LEU HA H 1 3.968 0.011 . 1 . . . . . 106 L HA . 51043 1 1113 . 1 . 1 106 106 LEU HB2 H 1 0.707 0.007 . 1 . . . . . 106 L QB . 51043 1 1114 . 1 . 1 106 106 LEU HB3 H 1 0.707 0.007 . 1 . . . . . 106 L QB . 51043 1 1115 . 1 . 1 106 106 LEU HG H 1 1.589 0.007 . 1 . . . . . 106 L HG . 51043 1 1116 . 1 . 1 106 106 LEU HD11 H 1 0.658 0.011 . 1 . . . . . 106 L QD1 . 51043 1 1117 . 1 . 1 106 106 LEU HD12 H 1 0.658 0.011 . 1 . . . . . 106 L QD1 . 51043 1 1118 . 1 . 1 106 106 LEU HD13 H 1 0.658 0.011 . 1 . . . . . 106 L QD1 . 51043 1 1119 . 1 . 1 106 106 LEU HD21 H 1 0.726 0.009 . 1 . . . . . 106 L QD2 . 51043 1 1120 . 1 . 1 106 106 LEU HD22 H 1 0.726 0.009 . 1 . . . . . 106 L QD2 . 51043 1 1121 . 1 . 1 106 106 LEU HD23 H 1 0.726 0.009 . 1 . . . . . 106 L QD2 . 51043 1 1122 . 1 . 1 106 106 LEU CA C 13 57.334 0.081 . 1 . . . . . 106 L CA . 51043 1 1123 . 1 . 1 106 106 LEU CB C 13 41.532 0.066 . 1 . . . . . 106 L CB . 51043 1 1124 . 1 . 1 106 106 LEU CG C 13 26.154 0.049 . 1 . . . . . 106 L CG . 51043 1 1125 . 1 . 1 106 106 LEU CD1 C 13 26.539 0.046 . 1 . . . . . 106 L CD1 . 51043 1 1126 . 1 . 1 106 106 LEU CD2 C 13 22.927 0.027 . 1 . . . . . 106 L CD2 . 51043 1 1127 . 1 . 1 106 106 LEU N N 15 120.768 0.001 . 1 . . . . . 106 L N . 51043 1 1128 . 1 . 1 107 107 ALA H H 1 8.781 0.006 . 1 . . . . . 107 A HN . 51043 1 1129 . 1 . 1 107 107 ALA HA H 1 3.618 0.007 . 1 . . . . . 107 A HA . 51043 1 1130 . 1 . 1 107 107 ALA HB1 H 1 1.001 0.006 . 1 . . . . . 107 A HB# . 51043 1 1131 . 1 . 1 107 107 ALA HB2 H 1 1.001 0.006 . 1 . . . . . 107 A HB# . 51043 1 1132 . 1 . 1 107 107 ALA HB3 H 1 1.001 0.006 . 1 . . . . . 107 A HB# . 51043 1 1133 . 1 . 1 107 107 ALA CA C 13 55.404 0.055 . 1 . . . . . 107 A CA . 51043 1 1134 . 1 . 1 107 107 ALA CB C 13 16.707 0.016 . 1 . . . . . 107 A CB . 51043 1 1135 . 1 . 1 107 107 ALA N N 15 122.596 0.035 . 1 . . . . . 107 A N . 51043 1 1136 . 1 . 1 108 108 SER H H 1 7.687 0.005 . 1 . . . . . 108 S HN . 51043 1 1137 . 1 . 1 108 108 SER HA H 1 4.504 0.004 . 1 . . . . . 108 S HA . 51043 1 1138 . 1 . 1 108 108 SER HB2 H 1 3.924 0.013 . 1 . . . . . 108 S QB . 51043 1 1139 . 1 . 1 108 108 SER HB3 H 1 3.924 0.013 . 1 . . . . . 108 S QB . 51043 1 1140 . 1 . 1 108 108 SER CA C 13 60.720 0.066 . 1 . . . . . 108 S CA . 51043 1 1141 . 1 . 1 108 108 SER CB C 13 63.680 0.047 . 1 . . . . . 108 S CB . 51043 1 1142 . 1 . 1 108 108 SER N N 15 108.438 0.062 . 1 . . . . . 108 S N . 51043 1 1143 . 1 . 1 109 109 GLN H H 1 6.853 0.010 . 1 . . . . . 109 Q HN . 51043 1 1144 . 1 . 1 109 109 GLN HA H 1 4.137 0.006 . 1 . . . . . 109 Q HA . 51043 1 1145 . 1 . 1 109 109 GLN HB2 H 1 1.065 0.009 . 1 . . . . . 109 Q QB . 51043 1 1146 . 1 . 1 109 109 GLN HB3 H 1 0.760 0.009 . 1 . . . . . 109 Q QB . 51043 1 1147 . 1 . 1 109 109 GLN HG2 H 1 1.630 0.008 . 1 . . . . . 109 Q HG2 . 51043 1 1148 . 1 . 1 109 109 GLN HG3 H 1 2.105 0.006 . 1 . . . . . 109 Q HG3 . 51043 1 1149 . 1 . 1 109 109 GLN HE21 H 1 6.705 0.010 . 1 . . . . . 109 Q HE21 . 51043 1 1150 . 1 . 1 109 109 GLN HE22 H 1 6.964 0.000 . 1 . . . . . 109 Q HE22 . 51043 1 1151 . 1 . 1 109 109 GLN CA C 13 57.460 0.027 . 1 . . . . . 109 Q CA . 51043 1 1152 . 1 . 1 109 109 GLN CB C 13 31.260 0.055 . 1 . . . . . 109 Q CB . 51043 1 1153 . 1 . 1 109 109 GLN CG C 13 34.586 0.036 . 1 . . . . . 109 Q CG . 51043 1 1154 . 1 . 1 109 109 GLN N N 15 115.097 0.053 . 1 . . . . . 109 Q N . 51043 1 1155 . 1 . 1 109 109 GLN NE2 N 15 111.166 0.097 . 1 . . . . . 109 Q NE2 . 51043 1 1156 . 1 . 1 110 110 PHE H H 1 8.123 0.003 . 1 . . . . . 110 F HN . 51043 1 1157 . 1 . 1 110 110 PHE HA H 1 4.732 0.000 . 1 . . . . . 110 F HA . 51043 1 1158 . 1 . 1 110 110 PHE HB2 H 1 3.350 0.011 . 1 . . . . . 110 F QB . 51043 1 1159 . 1 . 1 110 110 PHE HB3 H 1 3.350 0.011 . 1 . . . . . 110 F QB . 51043 1 1160 . 1 . 1 110 110 PHE HD1 H 1 6.983 0.029 . 1 . . . . . 110 F QD . 51043 1 1161 . 1 . 1 110 110 PHE HD2 H 1 6.983 0.029 . 1 . . . . . 110 F QD . 51043 1 1162 . 1 . 1 110 110 PHE HE1 H 1 7.168 0.022 . 1 . . . . . 110 F QE . 51043 1 1163 . 1 . 1 110 110 PHE HE2 H 1 7.168 0.022 . 1 . . . . . 110 F QE . 51043 1 1164 . 1 . 1 110 110 PHE HZ H 1 7.199 0.019 . 1 . . . . . 110 F HZ . 51043 1 1165 . 1 . 1 110 110 PHE CB C 13 41.192 0.051 . 1 . . . . . 110 F CB . 51043 1 1166 . 1 . 1 110 110 PHE CD1 C 13 131.929 0.000 . 3 . . . . . 110 F CD1 . 51043 1 1167 . 1 . 1 110 110 PHE CE1 C 13 130.728 0.000 . 3 . . . . . 110 F CE1 . 51043 1 1168 . 1 . 1 110 110 PHE CZ C 13 129.725 0.000 . 1 . . . . . 110 F CZ . 51043 1 1169 . 1 . 1 110 110 PHE N N 15 112.526 0.000 . 1 . . . . . 110 F N . 51043 1 1170 . 1 . 1 111 111 SER H H 1 7.840 0.001 . 1 . . . . . 111 S HN . 51043 1 1171 . 1 . 1 111 111 SER HA H 1 4.701 0.004 . 1 . . . . . 111 S HA . 51043 1 1172 . 1 . 1 111 111 SER HB2 H 1 4.521 0.004 . 1 . . . . . 111 S HB2 . 51043 1 1173 . 1 . 1 111 111 SER HB3 H 1 3.907 0.000 . 1 . . . . . 111 S HB3 . 51043 1 1174 . 1 . 1 111 111 SER N N 15 111.400 0.067 . 1 . . . . . 111 S N . 51043 1 1175 . 1 . 1 112 112 ASP H H 1 9.926 0.005 . 1 . . . . . 112 D HN . 51043 1 1176 . 1 . 1 112 112 ASP HA H 1 4.525 0.000 . 1 . . . . . 112 D HA . 51043 1 1177 . 1 . 1 112 112 ASP HB2 H 1 2.723 0.020 . 1 . . . . . 112 D QB . 51043 1 1178 . 1 . 1 112 112 ASP HB3 H 1 2.723 0.020 . 1 . . . . . 112 D QB . 51043 1 1179 . 1 . 1 112 112 ASP CB C 13 43.333 0.000 . 1 . . . . . 112 D CB . 51043 1 1180 . 1 . 1 112 112 ASP N N 15 124.719 0.036 . 1 . . . . . 112 D N . 51043 1 1181 . 1 . 1 113 113 CYS H H 1 8.121 0.000 . 1 . . . . . 113 C HN . 51043 1 1182 . 1 . 1 113 113 CYS HA H 1 4.557 0.009 . 1 . . . . . 113 C HA . 51043 1 1183 . 1 . 1 113 113 CYS HB2 H 1 2.778 0.013 . 1 . . . . . 113 C HB2 . 51043 1 1184 . 1 . 1 113 113 CYS HB3 H 1 2.519 0.009 . 1 . . . . . 113 C HB3 . 51043 1 1185 . 1 . 1 113 113 CYS CA C 13 59.810 0.005 . 1 . . . . . 113 C CA . 51043 1 1186 . 1 . 1 113 113 CYS CB C 13 29.402 0.044 . 1 . . . . . 113 C CB . 51043 1 1187 . 1 . 1 113 113 CYS N N 15 123.290 0.025 . 1 . . . . . 113 C N . 51043 1 1188 . 1 . 1 114 114 SER H H 1 8.882 0.001 . 1 . . . . . 114 S HN . 51043 1 1189 . 1 . 1 114 114 SER HA H 1 4.096 0.011 . 1 . . . . . 114 S HA . 51043 1 1190 . 1 . 1 114 114 SER HB2 H 1 4.031 0.008 . 1 . . . . . 114 S QB . 51043 1 1191 . 1 . 1 114 114 SER HB3 H 1 4.031 0.008 . 1 . . . . . 114 S QB . 51043 1 1192 . 1 . 1 114 114 SER CB C 13 62.417 0.000 . 1 . . . . . 114 S CB . 51043 1 1193 . 1 . 1 114 114 SER N N 15 127.431 0.017 . 1 . . . . . 114 S N . 51043 1 1194 . 1 . 1 115 115 SER H H 1 9.849 0.004 . 1 . . . . . 115 S HN . 51043 1 1195 . 1 . 1 115 115 SER HA H 1 4.207 0.010 . 1 . . . . . 115 S HA . 51043 1 1196 . 1 . 1 115 115 SER HB2 H 1 3.963 0.000 . 1 . . . . . 115 S QB . 51043 1 1197 . 1 . 1 115 115 SER HB3 H 1 3.963 0.000 . 1 . . . . . 115 S QB . 51043 1 1198 . 1 . 1 115 115 SER N N 15 123.527 0.036 . 1 . . . . . 115 S N . 51043 1 1199 . 1 . 1 116 116 ALA H H 1 8.559 0.007 . 1 . . . . . 116 A HN . 51043 1 1200 . 1 . 1 116 116 ALA HA H 1 3.790 0.002 . 1 . . . . . 116 A HA . 51043 1 1201 . 1 . 1 116 116 ALA HB1 H 1 1.730 0.010 . 1 . . . . . 116 A HB# . 51043 1 1202 . 1 . 1 116 116 ALA HB2 H 1 1.730 0.010 . 1 . . . . . 116 A HB# . 51043 1 1203 . 1 . 1 116 116 ALA HB3 H 1 1.730 0.010 . 1 . . . . . 116 A HB# . 51043 1 1204 . 1 . 1 116 116 ALA CA C 13 56.488 0.034 . 1 . . . . . 116 A CA . 51043 1 1205 . 1 . 1 116 116 ALA CB C 13 20.157 0.017 . 1 . . . . . 116 A CB . 51043 1 1206 . 1 . 1 116 116 ALA N N 15 132.268 0.041 . 1 . . . . . 116 A N . 51043 1 1207 . 1 . 1 117 117 LYS H H 1 7.032 0.005 . 1 . . . . . 117 K HN . 51043 1 1208 . 1 . 1 117 117 LYS HA H 1 3.965 0.000 . 1 . . . . . 117 K HA . 51043 1 1209 . 1 . 1 117 117 LYS HB2 H 1 1.732 0.008 . 1 . . . . . 117 K HB2 . 51043 1 1210 . 1 . 1 117 117 LYS HB3 H 1 1.663 0.018 . 1 . . . . . 117 K HB3 . 51043 1 1211 . 1 . 1 117 117 LYS HG2 H 1 1.206 0.017 . 1 . . . . . 117 K QG . 51043 1 1212 . 1 . 1 117 117 LYS HG3 H 1 1.206 0.017 . 1 . . . . . 117 K QG . 51043 1 1213 . 1 . 1 117 117 LYS HD2 H 1 1.414 0.010 . 1 . . . . . 117 K QD . 51043 1 1214 . 1 . 1 117 117 LYS HD3 H 1 1.414 0.010 . 1 . . . . . 117 K QD . 51043 1 1215 . 1 . 1 117 117 LYS HE2 H 1 2.439 0.008 . 1 . . . . . 117 K QE . 51043 1 1216 . 1 . 1 117 117 LYS HE3 H 1 2.439 0.008 . 1 . . . . . 117 K QE . 51043 1 1217 . 1 . 1 117 117 LYS CA C 13 57.486 0.081 . 1 . . . . . 117 K CA . 51043 1 1218 . 1 . 1 117 117 LYS CB C 13 31.502 0.036 . 1 . . . . . 117 K CB . 51043 1 1219 . 1 . 1 117 117 LYS CG C 13 24.499 0.006 . 1 . . . . . 117 K CG . 51043 1 1220 . 1 . 1 117 117 LYS CD C 13 28.435 0.031 . 1 . . . . . 117 K CD . 51043 1 1221 . 1 . 1 117 117 LYS CE C 13 41.770 0.001 . 1 . . . . . 117 K CE . 51043 1 1222 . 1 . 1 117 117 LYS N N 15 113.827 0.053 . 1 . . . . . 117 K N . 51043 1 1223 . 1 . 1 118 118 ALA H H 1 7.731 0.010 . 1 . . . . . 118 A HN . 51043 1 1224 . 1 . 1 118 118 ALA HA H 1 4.691 0.004 . 1 . . . . . 118 A HA . 51043 1 1225 . 1 . 1 118 118 ALA HB1 H 1 1.470 0.008 . 1 . . . . . 118 A HB# . 51043 1 1226 . 1 . 1 118 118 ALA HB2 H 1 1.470 0.008 . 1 . . . . . 118 A HB# . 51043 1 1227 . 1 . 1 118 118 ALA HB3 H 1 1.470 0.008 . 1 . . . . . 118 A HB# . 51043 1 1228 . 1 . 1 118 118 ALA CB C 13 18.340 0.021 . 1 . . . . . 118 A CB . 51043 1 1229 . 1 . 1 118 118 ALA N N 15 124.299 0.039 . 1 . . . . . 118 A N . 51043 1 1230 . 1 . 1 119 119 ARG H H 1 8.061 0.008 . 1 . . . . . 119 R HN . 51043 1 1231 . 1 . 1 119 119 ARG HA H 1 3.684 0.015 . 1 . . . . . 119 R HA . 51043 1 1232 . 1 . 1 119 119 ARG HB2 H 1 2.011 0.011 . 1 . . . . . 119 R HB2 . 51043 1 1233 . 1 . 1 119 119 ARG HB3 H 1 2.139 0.013 . 1 . . . . . 119 R HB3 . 51043 1 1234 . 1 . 1 119 119 ARG HG2 H 1 1.510 0.013 . 1 . . . . . 119 R QG . 51043 1 1235 . 1 . 1 119 119 ARG HG3 H 1 1.510 0.013 . 1 . . . . . 119 R QG . 51043 1 1236 . 1 . 1 119 119 ARG HD2 H 1 3.190 0.019 . 1 . . . . . 119 R QD . 51043 1 1237 . 1 . 1 119 119 ARG HD3 H 1 3.190 0.019 . 1 . . . . . 119 R QD . 51043 1 1238 . 1 . 1 119 119 ARG CA C 13 57.596 0.046 . 1 . . . . . 119 R CA . 51043 1 1239 . 1 . 1 119 119 ARG CB C 13 26.884 0.031 . 1 . . . . . 119 R CB . 51043 1 1240 . 1 . 1 119 119 ARG CG C 13 27.447 0.059 . 1 . . . . . 119 R CG . 51043 1 1241 . 1 . 1 119 119 ARG CD C 13 43.509 0.041 . 1 . . . . . 119 R CD . 51043 1 1242 . 1 . 1 119 119 ARG N N 15 115.055 0.106 . 1 . . . . . 119 R N . 51043 1 1243 . 1 . 1 120 120 GLY H H 1 8.306 0.008 . 1 . . . . . 120 G HN . 51043 1 1244 . 1 . 1 120 120 GLY HA2 H 1 3.779 0.011 . 1 . . . . . 120 G QA . 51043 1 1245 . 1 . 1 120 120 GLY HA3 H 1 3.779 0.011 . 1 . . . . . 120 G QA . 51043 1 1246 . 1 . 1 120 120 GLY CA C 13 44.916 0.000 . 1 . . . . . 120 G CA . 51043 1 1247 . 1 . 1 120 120 GLY N N 15 103.381 0.070 . 1 . . . . . 120 G N . 51043 1 1248 . 1 . 1 121 121 ASP H H 1 7.158 0.002 . 1 . . . . . 121 D HN . 51043 1 1249 . 1 . 1 121 121 ASP HA H 1 4.783 0.000 . 1 . . . . . 121 D HA . 51043 1 1250 . 1 . 1 121 121 ASP HB2 H 1 2.834 0.009 . 1 . . . . . 121 D QB . 51043 1 1251 . 1 . 1 121 121 ASP HB3 H 1 2.834 0.009 . 1 . . . . . 121 D QB . 51043 1 1252 . 1 . 1 121 121 ASP CB C 13 42.059 0.075 . 1 . . . . . 121 D CB . 51043 1 1253 . 1 . 1 121 121 ASP N N 15 118.685 0.045 . 1 . . . . . 121 D N . 51043 1 1254 . 1 . 1 122 122 LEU H H 1 8.752 0.002 . 1 . . . . . 122 L HN . 51043 1 1255 . 1 . 1 122 122 LEU HA H 1 4.464 0.017 . 1 . . . . . 122 L HA . 51043 1 1256 . 1 . 1 122 122 LEU HB2 H 1 1.432 0.010 . 1 . . . . . 122 L QB . 51043 1 1257 . 1 . 1 122 122 LEU HB3 H 1 1.432 0.010 . 1 . . . . . 122 L QB . 51043 1 1258 . 1 . 1 122 122 LEU HG H 1 1.698 0.004 . 1 . . . . . 122 L HG . 51043 1 1259 . 1 . 1 122 122 LEU HD11 H 1 0.132 0.008 . 1 . . . . . 122 L QD1 . 51043 1 1260 . 1 . 1 122 122 LEU HD12 H 1 0.132 0.008 . 1 . . . . . 122 L QD1 . 51043 1 1261 . 1 . 1 122 122 LEU HD13 H 1 0.132 0.008 . 1 . . . . . 122 L QD1 . 51043 1 1262 . 1 . 1 122 122 LEU HD21 H 1 0.608 0.010 . 1 . . . . . 122 L QD2 . 51043 1 1263 . 1 . 1 122 122 LEU HD22 H 1 0.608 0.010 . 1 . . . . . 122 L QD2 . 51043 1 1264 . 1 . 1 122 122 LEU HD23 H 1 0.608 0.010 . 1 . . . . . 122 L QD2 . 51043 1 1265 . 1 . 1 122 122 LEU CA C 13 54.369 0.072 . 1 . . . . . 122 L CA . 51043 1 1266 . 1 . 1 122 122 LEU CB C 13 43.922 0.014 . 1 . . . . . 122 L CB . 51043 1 1267 . 1 . 1 122 122 LEU CG C 13 26.160 0.029 . 1 . . . . . 122 L CG . 51043 1 1268 . 1 . 1 122 122 LEU CD1 C 13 26.219 0.077 . 1 . . . . . 122 L CD1 . 51043 1 1269 . 1 . 1 122 122 LEU CD2 C 13 22.532 0.011 . 1 . . . . . 122 L CD2 . 51043 1 1270 . 1 . 1 122 122 LEU N N 15 125.708 0.000 . 1 . . . . . 122 L N . 51043 1 1271 . 1 . 1 123 123 GLY H H 1 8.285 0.003 . 1 . . . . . 123 G HN . 51043 1 1272 . 1 . 1 123 123 GLY HA2 H 1 3.584 0.007 . 1 . . . . . 123 G QA . 51043 1 1273 . 1 . 1 123 123 GLY HA3 H 1 3.584 0.007 . 1 . . . . . 123 G QA . 51043 1 1274 . 1 . 1 123 123 GLY CA C 13 44.526 0.026 . 1 . . . . . 123 G CA . 51043 1 1275 . 1 . 1 123 123 GLY N N 15 108.733 0.010 . 1 . . . . . 123 G N . 51043 1 1276 . 1 . 1 124 124 ALA H H 1 8.098 0.008 . 1 . . . . . 124 A HN . 51043 1 1277 . 1 . 1 124 124 ALA HA H 1 5.268 0.008 . 1 . . . . . 124 A HA . 51043 1 1278 . 1 . 1 124 124 ALA HB1 H 1 1.122 0.011 . 1 . . . . . 124 A HB# . 51043 1 1279 . 1 . 1 124 124 ALA HB2 H 1 1.122 0.011 . 1 . . . . . 124 A HB# . 51043 1 1280 . 1 . 1 124 124 ALA HB3 H 1 1.122 0.011 . 1 . . . . . 124 A HB# . 51043 1 1281 . 1 . 1 124 124 ALA CA C 13 50.288 0.036 . 1 . . . . . 124 A CA . 51043 1 1282 . 1 . 1 124 124 ALA CB C 13 20.158 0.028 . 1 . . . . . 124 A CB . 51043 1 1283 . 1 . 1 124 124 ALA N N 15 119.205 0.042 . 1 . . . . . 124 A N . 51043 1 1284 . 1 . 1 125 125 PHE H H 1 8.933 0.000 . 1 . . . . . 125 F HN . 51043 1 1285 . 1 . 1 125 125 PHE HA H 1 5.063 0.006 . 1 . . . . . 125 F HA . 51043 1 1286 . 1 . 1 125 125 PHE HB2 H 1 3.154 0.011 . 1 . . . . . 125 F QB . 51043 1 1287 . 1 . 1 125 125 PHE HB3 H 1 3.154 0.011 . 1 . . . . . 125 F QB . 51043 1 1288 . 1 . 1 125 125 PHE HD1 H 1 7.240 0.012 . 1 . . . . . 125 F QD . 51043 1 1289 . 1 . 1 125 125 PHE HD2 H 1 7.240 0.012 . 1 . . . . . 125 F QD . 51043 1 1290 . 1 . 1 125 125 PHE HE1 H 1 7.321 0.018 . 1 . . . . . 125 F QE . 51043 1 1291 . 1 . 1 125 125 PHE HE2 H 1 7.321 0.018 . 1 . . . . . 125 F QE . 51043 1 1292 . 1 . 1 125 125 PHE HZ H 1 7.131 0.013 . 1 . . . . . 125 F HZ . 51043 1 1293 . 1 . 1 125 125 PHE CA C 13 55.946 0.020 . 1 . . . . . 125 F CA . 51043 1 1294 . 1 . 1 125 125 PHE CB C 13 40.896 0.000 . 1 . . . . . 125 F CB . 51043 1 1295 . 1 . 1 125 125 PHE CD1 C 13 134.080 0.000 . 1 . . . . . 125 F CD1 . 51043 1 1296 . 1 . 1 125 125 PHE CE1 C 13 129.636 0.000 . 1 . . . . . 125 F CE1 . 51043 1 1297 . 1 . 1 125 125 PHE CZ C 13 129.574 0.000 . 1 . . . . . 125 F CZ . 51043 1 1298 . 1 . 1 125 125 PHE N N 15 117.822 0.052 . 1 . . . . . 125 F N . 51043 1 1299 . 1 . 1 126 126 SER H H 1 8.467 0.002 . 1 . . . . . 126 S HN . 51043 1 1300 . 1 . 1 126 126 SER HA H 1 5.355 0.011 . 1 . . . . . 126 S HA . 51043 1 1301 . 1 . 1 126 126 SER HB2 H 1 3.977 0.010 . 1 . . . . . 126 S QB . 51043 1 1302 . 1 . 1 126 126 SER HB3 H 1 3.977 0.010 . 1 . . . . . 126 S QB . 51043 1 1303 . 1 . 1 126 126 SER CA C 13 56.477 0.044 . 1 . . . . . 126 S CA . 51043 1 1304 . 1 . 1 126 126 SER CB C 13 66.492 0.044 . 1 . . . . . 126 S CB . 51043 1 1305 . 1 . 1 126 126 SER N N 15 113.707 0.019 . 1 . . . . . 126 S N . 51043 1 1306 . 1 . 1 127 127 ARG H H 1 8.927 0.001 . 1 . . . . . 127 R HN . 51043 1 1307 . 1 . 1 127 127 ARG HA H 1 3.929 0.009 . 1 . . . . . 127 R HA . 51043 1 1308 . 1 . 1 127 127 ARG HB2 H 1 1.595 0.009 . 1 . . . . . 127 R HB2 . 51043 1 1309 . 1 . 1 127 127 ARG HB3 H 1 1.506 0.013 . 1 . . . . . 127 R HB3 . 51043 1 1310 . 1 . 1 127 127 ARG HG2 H 1 0.578 0.012 . 1 . . . . . 127 R HG2 . 51043 1 1311 . 1 . 1 127 127 ARG HG3 H 1 1.023 0.013 . 1 . . . . . 127 R HG3 . 51043 1 1312 . 1 . 1 127 127 ARG HD2 H 1 2.704 0.010 . 1 . . . . . 127 R HD2 . 51043 1 1313 . 1 . 1 127 127 ARG HD3 H 1 2.670 0.010 . 1 . . . . . 127 R HD3 . 51043 1 1314 . 1 . 1 127 127 ARG CA C 13 58.776 0.077 . 1 . . . . . 127 R CA . 51043 1 1315 . 1 . 1 127 127 ARG CB C 13 29.794 0.000 . 1 . . . . . 127 R CB . 51043 1 1316 . 1 . 1 127 127 ARG CG C 13 29.129 0.037 . 1 . . . . . 127 R CG . 51043 1 1317 . 1 . 1 127 127 ARG CD C 13 43.213 0.049 . 1 . . . . . 127 R CD . 51043 1 1318 . 1 . 1 127 127 ARG N N 15 121.426 0.000 . 1 . . . . . 127 R N . 51043 1 1319 . 1 . 1 128 128 GLY H H 1 10.232 0.009 . 1 . . . . . 128 G HN . 51043 1 1320 . 1 . 1 128 128 GLY HA2 H 1 3.790 0.005 . 1 . . . . . 128 G QA . 51043 1 1321 . 1 . 1 128 128 GLY HA3 H 1 3.790 0.005 . 1 . . . . . 128 G QA . 51043 1 1322 . 1 . 1 128 128 GLY CA C 13 45.182 0.020 . 1 . . . . . 128 G CA . 51043 1 1323 . 1 . 1 128 128 GLY N N 15 112.429 0.104 . 1 . . . . . 128 G N . 51043 1 1324 . 1 . 1 129 129 GLN H H 1 7.834 0.013 . 1 . . . . . 129 Q HN . 51043 1 1325 . 1 . 1 129 129 GLN HA H 1 4.436 0.018 . 1 . . . . . 129 Q HA . 51043 1 1326 . 1 . 1 129 129 GLN HB2 H 1 2.280 0.008 . 1 . . . . . 129 Q QB . 51043 1 1327 . 1 . 1 129 129 GLN HB3 H 1 2.280 0.008 . 1 . . . . . 129 Q QB . 51043 1 1328 . 1 . 1 129 129 GLN HG2 H 1 2.372 0.012 . 1 . . . . . 129 Q QG . 51043 1 1329 . 1 . 1 129 129 GLN HG3 H 1 2.372 0.012 . 1 . . . . . 129 Q QG . 51043 1 1330 . 1 . 1 129 129 GLN HE21 H 1 6.998 0.005 . 1 . . . . . 129 Q QE2 . 51043 1 1331 . 1 . 1 129 129 GLN HE22 H 1 6.998 0.005 . 1 . . . . . 129 Q QE2 . 51043 1 1332 . 1 . 1 129 129 GLN CA C 13 57.884 0.098 . 1 . . . . . 129 Q CA . 51043 1 1333 . 1 . 1 129 129 GLN CB C 13 31.904 0.050 . 1 . . . . . 129 Q CB . 51043 1 1334 . 1 . 1 129 129 GLN CG C 13 34.866 0.046 . 1 . . . . . 129 Q CG . 51043 1 1335 . 1 . 1 129 129 GLN N N 15 118.941 0.317 . 1 . . . . . 129 Q N . 51043 1 1336 . 1 . 1 129 129 GLN NE2 N 15 112.027 0.002 . 1 . . . . . 129 Q NE2 . 51043 1 1337 . 1 . 1 130 130 MET H H 1 9.068 0.004 . 1 . . . . . 130 M HN . 51043 1 1338 . 1 . 1 130 130 MET HA H 1 4.580 0.016 . 1 . . . . . 130 M HA . 51043 1 1339 . 1 . 1 130 130 MET HB2 H 1 1.822 0.006 . 1 . . . . . 130 M HB2 . 51043 1 1340 . 1 . 1 130 130 MET HB3 H 1 1.670 0.013 . 1 . . . . . 130 M HB3 . 51043 1 1341 . 1 . 1 130 130 MET HG2 H 1 1.156 0.011 . 1 . . . . . 130 M QG . 51043 1 1342 . 1 . 1 130 130 MET HG3 H 1 1.156 0.011 . 1 . . . . . 130 M QG . 51043 1 1343 . 1 . 1 130 130 MET HE1 H 1 1.110 0.004 . 1 . . . . . 130 M HE# . 51043 1 1344 . 1 . 1 130 130 MET HE2 H 1 1.110 0.004 . 1 . . . . . 130 M HE# . 51043 1 1345 . 1 . 1 130 130 MET HE3 H 1 1.110 0.004 . 1 . . . . . 130 M HE# . 51043 1 1346 . 1 . 1 130 130 MET CA C 13 52.465 0.096 . 1 . . . . . 130 M CA . 51043 1 1347 . 1 . 1 130 130 MET CG C 13 32.804 0.026 . 1 . . . . . 130 M CG . 51043 1 1348 . 1 . 1 130 130 MET CE C 13 17.549 0.036 . 1 . . . . . 130 M CE . 51043 1 1349 . 1 . 1 130 130 MET N N 15 118.105 0.028 . 1 . . . . . 130 M N . 51043 1 1350 . 1 . 1 131 131 GLN H H 1 8.437 0.002 . 1 . . . . . 131 Q HN . 51043 1 1351 . 1 . 1 131 131 GLN HA H 1 4.107 0.032 . 1 . . . . . 131 Q HA . 51043 1 1352 . 1 . 1 131 131 GLN HB2 H 1 2.276 0.010 . 2 . . . . . 131 Q HB2 . 51043 1 1353 . 1 . 1 131 131 GLN HB3 H 1 1.849 0.025 . 2 . . . . . 131 Q HB3 . 51043 1 1354 . 1 . 1 131 131 GLN HG2 H 1 2.448 0.013 . 1 . . . . . 131 Q QG . 51043 1 1355 . 1 . 1 131 131 GLN HG3 H 1 2.448 0.013 . 1 . . . . . 131 Q QG . 51043 1 1356 . 1 . 1 131 131 GLN HE21 H 1 7.019 0.007 . 1 . . . . . 131 Q QE2 . 51043 1 1357 . 1 . 1 131 131 GLN HE22 H 1 7.019 0.007 . 1 . . . . . 131 Q QE2 . 51043 1 1358 . 1 . 1 131 131 GLN CA C 13 57.059 0.058 . 1 . . . . . 131 Q CA . 51043 1 1359 . 1 . 1 131 131 GLN CB C 13 30.094 0.016 . 1 . . . . . 131 Q CB . 51043 1 1360 . 1 . 1 131 131 GLN CG C 13 34.926 0.035 . 1 . . . . . 131 Q CG . 51043 1 1361 . 1 . 1 131 131 GLN N N 15 118.388 0.058 . 1 . . . . . 131 Q N . 51043 1 1362 . 1 . 1 131 131 GLN NE2 N 15 111.785 0.132 . 1 . . . . . 131 Q NE2 . 51043 1 1363 . 1 . 1 132 132 LYS H H 1 9.169 0.006 . 1 . . . . . 132 K HN . 51043 1 1364 . 1 . 1 132 132 LYS HA H 1 4.185 0.017 . 1 . . . . . 132 K HA . 51043 1 1365 . 1 . 1 132 132 LYS HB2 H 1 1.934 0.008 . 1 . . . . . 132 K QB . 51043 1 1366 . 1 . 1 132 132 LYS HB3 H 1 1.934 0.008 . 1 . . . . . 132 K QB . 51043 1 1367 . 1 . 1 132 132 LYS HG2 H 1 1.502 0.020 . 1 . . . . . 132 K QG . 51043 1 1368 . 1 . 1 132 132 LYS HG3 H 1 1.502 0.020 . 1 . . . . . 132 K QG . 51043 1 1369 . 1 . 1 132 132 LYS HD2 H 1 1.627 0.008 . 2 . . . . . 132 K HD2 . 51043 1 1370 . 1 . 1 132 132 LYS HD3 H 1 1.771 0.006 . 2 . . . . . 132 K HD3 . 51043 1 1371 . 1 . 1 132 132 LYS HE2 H 1 3.053 0.021 . 1 . . . . . 132 K QE . 51043 1 1372 . 1 . 1 132 132 LYS HE3 H 1 3.053 0.021 . 1 . . . . . 132 K QE . 51043 1 1373 . 1 . 1 132 132 LYS CA C 13 61.084 0.091 . 1 . . . . . 132 K CA . 51043 1 1374 . 1 . 1 132 132 LYS CB C 13 30.036 0.043 . 1 . . . . . 132 K CB . 51043 1 1375 . 1 . 1 132 132 LYS CG C 13 24.550 0.025 . 1 . . . . . 132 K CG . 51043 1 1376 . 1 . 1 132 132 LYS CD C 13 28.369 0.016 . 1 . . . . . 132 K CD . 51043 1 1377 . 1 . 1 132 132 LYS CE C 13 42.136 0.006 . 1 . . . . . 132 K CE . 51043 1 1378 . 1 . 1 132 132 LYS N N 15 126.156 0.037 . 1 . . . . . 132 K N . 51043 1 1379 . 1 . 1 133 133 PRO HA H 1 4.521 0.008 . 1 . . . . . 133 P HA . 51043 1 1380 . 1 . 1 133 133 PRO HB2 H 1 2.552 0.010 . 1 . . . . . 133 P QB . 51043 1 1381 . 1 . 1 133 133 PRO HB3 H 1 2.552 0.010 . 1 . . . . . 133 P QB . 51043 1 1382 . 1 . 1 133 133 PRO HG2 H 1 2.253 0.010 . 1 . . . . . 133 P QG . 51043 1 1383 . 1 . 1 133 133 PRO HG3 H 1 2.253 0.010 . 1 . . . . . 133 P QG . 51043 1 1384 . 1 . 1 133 133 PRO HD2 H 1 3.629 0.013 . 1 . . . . . 133 P QD . 51043 1 1385 . 1 . 1 133 133 PRO HD3 H 1 3.629 0.013 . 1 . . . . . 133 P QD . 51043 1 1386 . 1 . 1 133 133 PRO CA C 13 65.755 0.019 . 1 . . . . . 133 P CA . 51043 1 1387 . 1 . 1 133 133 PRO CB C 13 31.163 0.018 . 1 . . . . . 133 P CB . 51043 1 1388 . 1 . 1 133 133 PRO CG C 13 29.123 0.026 . 1 . . . . . 133 P CG . 51043 1 1389 . 1 . 1 133 133 PRO CD C 13 49.797 0.016 . 1 . . . . . 133 P CD . 51043 1 1390 . 1 . 1 134 134 PHE H H 1 6.909 0.002 . 1 . . . . . 134 F HN . 51043 1 1391 . 1 . 1 134 134 PHE HA H 1 3.628 0.009 . 1 . . . . . 134 F HA . 51043 1 1392 . 1 . 1 134 134 PHE HB2 H 1 3.346 0.011 . 2 . . . . . 134 F HB2 . 51043 1 1393 . 1 . 1 134 134 PHE HB3 H 1 2.339 0.013 . 2 . . . . . 134 F HB3 . 51043 1 1394 . 1 . 1 134 134 PHE HD1 H 1 6.030 0.017 . 1 . . . . . 134 F QD . 51043 1 1395 . 1 . 1 134 134 PHE HD2 H 1 6.030 0.017 . 1 . . . . . 134 F QD . 51043 1 1396 . 1 . 1 134 134 PHE HE1 H 1 7.044 0.010 . 1 . . . . . 134 F QE . 51043 1 1397 . 1 . 1 134 134 PHE HE2 H 1 7.044 0.010 . 1 . . . . . 134 F QE . 51043 1 1398 . 1 . 1 134 134 PHE HZ H 1 6.587 0.020 . 1 . . . . . 134 F HZ . 51043 1 1399 . 1 . 1 134 134 PHE CA C 13 60.393 0.017 . 1 . . . . . 134 F CA . 51043 1 1400 . 1 . 1 134 134 PHE CB C 13 40.366 0.032 . 1 . . . . . 134 F CB . 51043 1 1401 . 1 . 1 134 134 PHE CD2 C 13 130.230 0.000 . 3 . . . . . 134 F CD2 . 51043 1 1402 . 1 . 1 134 134 PHE CE2 C 13 131.764 0.000 . 3 . . . . . 134 F CE2 . 51043 1 1403 . 1 . 1 134 134 PHE CZ C 13 129.357 0.000 . 1 . . . . . 134 F CZ . 51043 1 1404 . 1 . 1 134 134 PHE N N 15 115.994 0.002 . 1 . . . . . 134 F N . 51043 1 1405 . 1 . 1 135 135 GLU H H 1 8.756 0.007 . 1 . . . . . 135 E HN . 51043 1 1406 . 1 . 1 135 135 GLU HA H 1 4.020 0.012 . 1 . . . . . 135 E HA . 51043 1 1407 . 1 . 1 135 135 GLU HB2 H 1 2.313 0.007 . 1 . . . . . 135 E QB . 51043 1 1408 . 1 . 1 135 135 GLU HB3 H 1 2.313 0.007 . 1 . . . . . 135 E QB . 51043 1 1409 . 1 . 1 135 135 GLU HG2 H 1 2.233 0.005 . 1 . . . . . 135 E QG . 51043 1 1410 . 1 . 1 135 135 GLU HG3 H 1 2.233 0.005 . 1 . . . . . 135 E QG . 51043 1 1411 . 1 . 1 135 135 GLU CA C 13 60.369 0.053 . 1 . . . . . 135 E CA . 51043 1 1412 . 1 . 1 135 135 GLU CB C 13 30.576 0.000 . 1 . . . . . 135 E CB . 51043 1 1413 . 1 . 1 135 135 GLU N N 15 123.198 0.036 . 1 . . . . . 135 E N . 51043 1 1414 . 1 . 1 136 136 ASP H H 1 9.155 0.004 . 1 . . . . . 136 D HN . 51043 1 1415 . 1 . 1 136 136 ASP HA H 1 4.401 0.012 . 1 . . . . . 136 D HA . 51043 1 1416 . 1 . 1 136 136 ASP HB2 H 1 2.567 0.004 . 1 . . . . . 136 D QB . 51043 1 1417 . 1 . 1 136 136 ASP HB3 H 1 2.567 0.004 . 1 . . . . . 136 D QB . 51043 1 1418 . 1 . 1 136 136 ASP CA C 13 57.344 0.116 . 1 . . . . . 136 D CA . 51043 1 1419 . 1 . 1 136 136 ASP CB C 13 39.532 0.035 . 1 . . . . . 136 D CB . 51043 1 1420 . 1 . 1 136 136 ASP N N 15 118.603 0.055 . 1 . . . . . 136 D N . 51043 1 1421 . 1 . 1 137 137 ALA H H 1 7.096 0.009 . 1 . . . . . 137 A HN . 51043 1 1422 . 1 . 1 137 137 ALA HA H 1 3.968 0.006 . 1 . . . . . 137 A HA . 51043 1 1423 . 1 . 1 137 137 ALA HB1 H 1 1.294 0.008 . 1 . . . . . 137 A HB# . 51043 1 1424 . 1 . 1 137 137 ALA HB2 H 1 1.294 0.008 . 1 . . . . . 137 A HB# . 51043 1 1425 . 1 . 1 137 137 ALA HB3 H 1 1.294 0.008 . 1 . . . . . 137 A HB# . 51043 1 1426 . 1 . 1 137 137 ALA CA C 13 54.537 0.027 . 1 . . . . . 137 A CA . 51043 1 1427 . 1 . 1 137 137 ALA CB C 13 19.523 0.070 . 1 . . . . . 137 A CB . 51043 1 1428 . 1 . 1 137 137 ALA N N 15 118.679 0.066 . 1 . . . . . 137 A N . 51043 1 1429 . 1 . 1 138 138 SER H H 1 7.885 0.001 . 1 . . . . . 138 S HN . 51043 1 1430 . 1 . 1 138 138 SER HA H 1 4.051 0.010 . 1 . . . . . 138 S HA . 51043 1 1431 . 1 . 1 138 138 SER HB2 H 1 3.780 0.014 . 1 . . . . . 138 S QB . 51043 1 1432 . 1 . 1 138 138 SER HB3 H 1 3.780 0.014 . 1 . . . . . 138 S QB . 51043 1 1433 . 1 . 1 138 138 SER CA C 13 63.052 0.000 . 1 . . . . . 138 S CA . 51043 1 1434 . 1 . 1 138 138 SER CB C 13 63.314 0.062 . 1 . . . . . 138 S CB . 51043 1 1435 . 1 . 1 138 138 SER N N 15 113.278 0.011 . 1 . . . . . 138 S N . 51043 1 1436 . 1 . 1 139 139 PHE H H 1 8.097 0.010 . 1 . . . . . 139 F HN . 51043 1 1437 . 1 . 1 139 139 PHE HA H 1 3.845 0.011 . 1 . . . . . 139 F HA . 51043 1 1438 . 1 . 1 139 139 PHE HB2 H 1 2.969 0.009 . 1 . . . . . 139 F HB2 . 51043 1 1439 . 1 . 1 139 139 PHE HB3 H 1 2.860 0.013 . 1 . . . . . 139 F HB3 . 51043 1 1440 . 1 . 1 139 139 PHE HD1 H 1 7.409 0.012 . 1 . . . . . 139 F QD . 51043 1 1441 . 1 . 1 139 139 PHE HD2 H 1 7.409 0.012 . 1 . . . . . 139 F QD . 51043 1 1442 . 1 . 1 139 139 PHE HE1 H 1 7.072 0.012 . 1 . . . . . 139 F QE . 51043 1 1443 . 1 . 1 139 139 PHE HE2 H 1 7.072 0.012 . 1 . . . . . 139 F QE . 51043 1 1444 . 1 . 1 139 139 PHE HZ H 1 7.117 0.010 . 1 . . . . . 139 F HZ . 51043 1 1445 . 1 . 1 139 139 PHE CA C 13 61.088 0.071 . 1 . . . . . 139 F CA . 51043 1 1446 . 1 . 1 139 139 PHE CB C 13 39.045 0.047 . 1 . . . . . 139 F CB . 51043 1 1447 . 1 . 1 139 139 PHE CD2 C 13 131.584 0.000 . 3 . . . . . 139 F CD2 . 51043 1 1448 . 1 . 1 139 139 PHE CE2 C 13 130.962 0.000 . 3 . . . . . 139 F CE2 . 51043 1 1449 . 1 . 1 139 139 PHE CZ C 13 129.529 0.000 . 1 . . . . . 139 F CZ . 51043 1 1450 . 1 . 1 139 139 PHE N N 15 114.258 0.056 . 1 . . . . . 139 F N . 51043 1 1451 . 1 . 1 140 140 ALA H H 1 7.080 0.007 . 1 . . . . . 140 A HN . 51043 1 1452 . 1 . 1 140 140 ALA HA H 1 4.387 0.005 . 1 . . . . . 140 A HA . 51043 1 1453 . 1 . 1 140 140 ALA HB1 H 1 1.394 0.008 . 1 . . . . . 140 A HB# . 51043 1 1454 . 1 . 1 140 140 ALA HB2 H 1 1.394 0.008 . 1 . . . . . 140 A HB# . 51043 1 1455 . 1 . 1 140 140 ALA HB3 H 1 1.394 0.008 . 1 . . . . . 140 A HB# . 51043 1 1456 . 1 . 1 140 140 ALA CA C 13 52.000 0.020 . 1 . . . . . 140 A CA . 51043 1 1457 . 1 . 1 140 140 ALA CB C 13 19.675 0.009 . 1 . . . . . 140 A CB . 51043 1 1458 . 1 . 1 140 140 ALA N N 15 119.659 0.000 . 1 . . . . . 140 A N . 51043 1 1459 . 1 . 1 141 141 LEU H H 1 6.943 0.007 . 1 . . . . . 141 L HN . 51043 1 1460 . 1 . 1 141 141 LEU HA H 1 4.206 0.011 . 1 . . . . . 141 L HA . 51043 1 1461 . 1 . 1 141 141 LEU HB2 H 1 1.714 0.011 . 1 . . . . . 141 L QB . 51043 1 1462 . 1 . 1 141 141 LEU HB3 H 1 1.714 0.011 . 1 . . . . . 141 L QB . 51043 1 1463 . 1 . 1 141 141 LEU HG H 1 2.038 0.015 . 1 . . . . . 141 L HG . 51043 1 1464 . 1 . 1 141 141 LEU HD11 H 1 0.758 0.011 . 1 . . . . . 141 L QD1 . 51043 1 1465 . 1 . 1 141 141 LEU HD12 H 1 0.758 0.011 . 1 . . . . . 141 L QD1 . 51043 1 1466 . 1 . 1 141 141 LEU HD13 H 1 0.758 0.011 . 1 . . . . . 141 L QD1 . 51043 1 1467 . 1 . 1 141 141 LEU HD21 H 1 0.527 0.009 . 1 . . . . . 141 L QD2 . 51043 1 1468 . 1 . 1 141 141 LEU HD22 H 1 0.527 0.009 . 1 . . . . . 141 L QD2 . 51043 1 1469 . 1 . 1 141 141 LEU HD23 H 1 0.527 0.009 . 1 . . . . . 141 L QD2 . 51043 1 1470 . 1 . 1 141 141 LEU CA C 13 54.576 0.049 . 1 . . . . . 141 L CA . 51043 1 1471 . 1 . 1 141 141 LEU CB C 13 43.011 0.045 . 1 . . . . . 141 L CB . 51043 1 1472 . 1 . 1 141 141 LEU CG C 13 25.395 0.047 . 1 . . . . . 141 L CG . 51043 1 1473 . 1 . 1 141 141 LEU CD1 C 13 26.122 0.048 . 1 . . . . . 141 L CD1 . 51043 1 1474 . 1 . 1 141 141 LEU CD2 C 13 22.342 0.009 . 1 . . . . . 141 L CD2 . 51043 1 1475 . 1 . 1 141 141 LEU N N 15 120.885 0.048 . 1 . . . . . 141 L N . 51043 1 1476 . 1 . 1 142 142 ARG H H 1 8.906 0.000 . 1 . . . . . 142 R HN . 51043 1 1477 . 1 . 1 142 142 ARG HA H 1 4.362 0.008 . 1 . . . . . 142 R HA . 51043 1 1478 . 1 . 1 142 142 ARG HB2 H 1 1.859 0.012 . 1 . . . . . 142 R HB2 . 51043 1 1479 . 1 . 1 142 142 ARG HB3 H 1 1.569 0.010 . 1 . . . . . 142 R HB3 . 51043 1 1480 . 1 . 1 142 142 ARG HG2 H 1 1.720 0.010 . 1 . . . . . 142 R QG . 51043 1 1481 . 1 . 1 142 142 ARG HG3 H 1 1.720 0.010 . 1 . . . . . 142 R QG . 51043 1 1482 . 1 . 1 142 142 ARG HD2 H 1 3.176 0.009 . 1 . . . . . 142 R QD . 51043 1 1483 . 1 . 1 142 142 ARG HD3 H 1 3.176 0.009 . 1 . . . . . 142 R QD . 51043 1 1484 . 1 . 1 142 142 ARG CA C 13 55.028 0.048 . 1 . . . . . 142 R CA . 51043 1 1485 . 1 . 1 142 142 ARG CB C 13 30.609 0.038 . 1 . . . . . 142 R CB . 51043 1 1486 . 1 . 1 142 142 ARG CG C 13 27.963 0.027 . 1 . . . . . 142 R CG . 51043 1 1487 . 1 . 1 142 142 ARG CD C 13 43.199 0.028 . 1 . . . . . 142 R CD . 51043 1 1488 . 1 . 1 142 142 ARG N N 15 122.109 0.035 . 1 . . . . . 142 R N . 51043 1 1489 . 1 . 1 143 143 THR H H 1 8.466 0.000 . 1 . . . . . 143 T HN . 51043 1 1490 . 1 . 1 143 143 THR HA H 1 3.209 0.007 . 1 . . . . . 143 T HA . 51043 1 1491 . 1 . 1 143 143 THR HB H 1 3.856 0.005 . 1 . . . . . 143 T HB . 51043 1 1492 . 1 . 1 143 143 THR HG21 H 1 0.977 0.005 . 1 . . . . . 143 T QG2 . 51043 1 1493 . 1 . 1 143 143 THR HG22 H 1 0.977 0.005 . 1 . . . . . 143 T QG2 . 51043 1 1494 . 1 . 1 143 143 THR HG23 H 1 0.977 0.005 . 1 . . . . . 143 T QG2 . 51043 1 1495 . 1 . 1 143 143 THR CA C 13 66.157 0.022 . 1 . . . . . 143 T CA . 51043 1 1496 . 1 . 1 143 143 THR CB C 13 67.347 0.020 . 1 . . . . . 143 T CB . 51043 1 1497 . 1 . 1 143 143 THR CG2 C 13 22.740 0.029 . 1 . . . . . 143 T CG2 . 51043 1 1498 . 1 . 1 143 143 THR N N 15 116.867 0.063 . 1 . . . . . 143 T N . 51043 1 1499 . 1 . 1 144 144 GLY H H 1 8.942 0.005 . 1 . . . . . 144 G HN . 51043 1 1500 . 1 . 1 144 144 GLY HA2 H 1 3.639 0.006 . 1 . . . . . 144 G QA . 51043 1 1501 . 1 . 1 144 144 GLY HA3 H 1 3.639 0.006 . 1 . . . . . 144 G QA . 51043 1 1502 . 1 . 1 144 144 GLY CA C 13 44.928 0.092 . 1 . . . . . 144 G CA . 51043 1 1503 . 1 . 1 144 144 GLY N N 15 115.558 0.000 . 1 . . . . . 144 G N . 51043 1 1504 . 1 . 1 145 145 GLU H H 1 8.184 0.007 . 1 . . . . . 145 E HN . 51043 1 1505 . 1 . 1 145 145 GLU HA H 1 4.347 0.008 . 1 . . . . . 145 E HA . 51043 1 1506 . 1 . 1 145 145 GLU HB2 H 1 2.241 0.007 . 1 . . . . . 145 E QB . 51043 1 1507 . 1 . 1 145 145 GLU HB3 H 1 2.241 0.007 . 1 . . . . . 145 E QB . 51043 1 1508 . 1 . 1 145 145 GLU HG2 H 1 2.258 0.015 . 1 . . . . . 145 E QG . 51043 1 1509 . 1 . 1 145 145 GLU HG3 H 1 2.258 0.015 . 1 . . . . . 145 E QG . 51043 1 1510 . 1 . 1 145 145 GLU CA C 13 55.404 0.000 . 1 . . . . . 145 E CA . 51043 1 1511 . 1 . 1 145 145 GLU CB C 13 32.331 0.046 . 1 . . . . . 145 E CB . 51043 1 1512 . 1 . 1 145 145 GLU CG C 13 36.969 0.014 . 1 . . . . . 145 E CG . 51043 1 1513 . 1 . 1 145 145 GLU N N 15 121.991 0.039 . 1 . . . . . 145 E N . 51043 1 1514 . 1 . 1 146 146 MET H H 1 8.223 0.007 . 1 . . . . . 146 M HN . 51043 1 1515 . 1 . 1 146 146 MET HA H 1 5.664 0.010 . 1 . . . . . 146 M HA . 51043 1 1516 . 1 . 1 146 146 MET HB2 H 1 1.789 0.012 . 1 . . . . . 146 M HB2 . 51043 1 1517 . 1 . 1 146 146 MET HB3 H 1 2.170 0.008 . 1 . . . . . 146 M HB3 . 51043 1 1518 . 1 . 1 146 146 MET HG2 H 1 2.327 0.010 . 1 . . . . . 146 M HG2 . 51043 1 1519 . 1 . 1 146 146 MET HG3 H 1 3.062 0.007 . 1 . . . . . 146 M HG3 . 51043 1 1520 . 1 . 1 146 146 MET HE1 H 1 2.226 0.011 . 1 . . . . . 146 M HE# . 51043 1 1521 . 1 . 1 146 146 MET HE2 H 1 2.226 0.011 . 1 . . . . . 146 M HE# . 51043 1 1522 . 1 . 1 146 146 MET HE3 H 1 2.226 0.011 . 1 . . . . . 146 M HE# . 51043 1 1523 . 1 . 1 146 146 MET CA C 13 52.802 0.015 . 1 . . . . . 146 M CA . 51043 1 1524 . 1 . 1 146 146 MET CB C 13 37.565 0.028 . 1 . . . . . 146 M CB . 51043 1 1525 . 1 . 1 146 146 MET CG C 13 31.511 0.007 . 1 . . . . . 146 M CG . 51043 1 1526 . 1 . 1 146 146 MET CE C 13 17.040 0.016 . 1 . . . . . 146 M CE . 51043 1 1527 . 1 . 1 146 146 MET N N 15 122.756 0.042 . 1 . . . . . 146 M N . 51043 1 1528 . 1 . 1 147 147 SER H H 1 9.673 0.002 . 1 . . . . . 147 S HN . 51043 1 1529 . 1 . 1 147 147 SER HA H 1 4.283 0.018 . 1 . . . . . 147 S HA . 51043 1 1530 . 1 . 1 147 147 SER HB2 H 1 3.635 0.005 . 1 . . . . . 147 S QB . 51043 1 1531 . 1 . 1 147 147 SER HB3 H 1 3.635 0.005 . 1 . . . . . 147 S QB . 51043 1 1532 . 1 . 1 147 147 SER CA C 13 58.721 0.000 . 1 . . . . . 147 S CA . 51043 1 1533 . 1 . 1 147 147 SER CB C 13 64.821 0.058 . 1 . . . . . 147 S CB . 51043 1 1534 . 1 . 1 147 147 SER N N 15 123.206 0.029 . 1 . . . . . 147 S N . 51043 1 1535 . 1 . 1 148 148 GLY H H 1 7.716 0.001 . 1 . . . . . 148 G HN . 51043 1 1536 . 1 . 1 148 148 GLY HA2 H 1 3.853 0.015 . 1 . . . . . 148 G QA . 51043 1 1537 . 1 . 1 148 148 GLY HA3 H 1 3.853 0.015 . 1 . . . . . 148 G QA . 51043 1 1538 . 1 . 1 148 148 GLY CA C 13 44.142 0.021 . 1 . . . . . 148 G CA . 51043 1 1539 . 1 . 1 148 148 GLY N N 15 103.152 0.000 . 1 . . . . . 148 G N . 51043 1 1540 . 1 . 1 149 149 PRO HA H 1 4.305 0.007 . 1 . . . . . 149 P HA . 51043 1 1541 . 1 . 1 149 149 PRO HB2 H 1 1.646 0.007 . 1 . . . . . 149 P QB . 51043 1 1542 . 1 . 1 149 149 PRO HB3 H 1 1.646 0.007 . 1 . . . . . 149 P QB . 51043 1 1543 . 1 . 1 149 149 PRO HG2 H 1 1.773 0.004 . 1 . . . . . 149 P QG . 51043 1 1544 . 1 . 1 149 149 PRO HG3 H 1 1.773 0.004 . 1 . . . . . 149 P QG . 51043 1 1545 . 1 . 1 149 149 PRO HD2 H 1 3.537 0.009 . 1 . . . . . 149 P QD . 51043 1 1546 . 1 . 1 149 149 PRO HD3 H 1 3.537 0.009 . 1 . . . . . 149 P QD . 51043 1 1547 . 1 . 1 149 149 PRO CA C 13 63.391 0.028 . 1 . . . . . 149 P CA . 51043 1 1548 . 1 . 1 149 149 PRO CB C 13 31.412 0.020 . 1 . . . . . 149 P CB . 51043 1 1549 . 1 . 1 149 149 PRO CG C 13 28.087 0.020 . 1 . . . . . 149 P CG . 51043 1 1550 . 1 . 1 149 149 PRO CD C 13 48.884 0.000 . 1 . . . . . 149 P CD . 51043 1 1551 . 1 . 1 150 150 VAL H H 1 9.195 0.008 . 1 . . . . . 150 V HN . 51043 1 1552 . 1 . 1 150 150 VAL HA H 1 4.300 0.010 . 1 . . . . . 150 V HA . 51043 1 1553 . 1 . 1 150 150 VAL HB H 1 1.747 0.020 . 1 . . . . . 150 V HB . 51043 1 1554 . 1 . 1 150 150 VAL HG11 H 1 0.677 0.013 . 1 . . . . . 150 V QG1 . 51043 1 1555 . 1 . 1 150 150 VAL HG12 H 1 0.677 0.013 . 1 . . . . . 150 V QG1 . 51043 1 1556 . 1 . 1 150 150 VAL HG13 H 1 0.677 0.013 . 1 . . . . . 150 V QG1 . 51043 1 1557 . 1 . 1 150 150 VAL HG21 H 1 0.882 0.013 . 1 . . . . . 150 V QG2 . 51043 1 1558 . 1 . 1 150 150 VAL HG22 H 1 0.882 0.013 . 1 . . . . . 150 V QG2 . 51043 1 1559 . 1 . 1 150 150 VAL HG23 H 1 0.882 0.013 . 1 . . . . . 150 V QG2 . 51043 1 1560 . 1 . 1 150 150 VAL CA C 13 61.507 0.012 . 1 . . . . . 150 V CA . 51043 1 1561 . 1 . 1 150 150 VAL CB C 13 34.954 0.035 . 1 . . . . . 150 V CB . 51043 1 1562 . 1 . 1 150 150 VAL CG1 C 13 20.398 0.008 . 1 . . . . . 150 V CG1 . 51043 1 1563 . 1 . 1 150 150 VAL CG2 C 13 20.948 0.051 . 1 . . . . . 150 V CG2 . 51043 1 1564 . 1 . 1 150 150 VAL N N 15 126.995 0.027 . 1 . . . . . 150 V N . 51043 1 1565 . 1 . 1 151 151 PHE H H 1 9.113 0.001 . 1 . . . . . 151 F HN . 51043 1 1566 . 1 . 1 151 151 PHE HA H 1 5.070 0.005 . 1 . . . . . 151 F HA . 51043 1 1567 . 1 . 1 151 151 PHE HB2 H 1 3.102 0.015 . 1 . . . . . 151 F QB . 51043 1 1568 . 1 . 1 151 151 PHE HB3 H 1 3.102 0.015 . 1 . . . . . 151 F QB . 51043 1 1569 . 1 . 1 151 151 PHE HD1 H 1 7.421 0.019 . 1 . . . . . 151 F QD . 51043 1 1570 . 1 . 1 151 151 PHE HD2 H 1 7.421 0.019 . 1 . . . . . 151 F QD . 51043 1 1571 . 1 . 1 151 151 PHE HE1 H 1 7.236 0.013 . 1 . . . . . 151 F QE . 51043 1 1572 . 1 . 1 151 151 PHE HE2 H 1 7.236 0.013 . 1 . . . . . 151 F QE . 51043 1 1573 . 1 . 1 151 151 PHE HZ H 1 7.293 0.002 . 1 . . . . . 151 F HZ . 51043 1 1574 . 1 . 1 151 151 PHE CA C 13 57.833 0.054 . 1 . . . . . 151 F CA . 51043 1 1575 . 1 . 1 151 151 PHE CB C 13 39.611 0.000 . 1 . . . . . 151 F CB . 51043 1 1576 . 1 . 1 151 151 PHE CD2 C 13 132.490 0.000 . 3 . . . . . 151 F CD2 . 51043 1 1577 . 1 . 1 151 151 PHE CE2 C 13 130.957 0.000 . 3 . . . . . 151 F CE2 . 51043 1 1578 . 1 . 1 151 151 PHE CZ C 13 131.255 0.000 . 1 . . . . . 151 F CZ . 51043 1 1579 . 1 . 1 151 151 PHE N N 15 127.975 0.012 . 1 . . . . . 151 F N . 51043 1 1580 . 1 . 1 152 152 THR H H 1 9.064 0.005 . 1 . . . . . 152 T HN . 51043 1 1581 . 1 . 1 152 152 THR HA H 1 4.975 0.015 . 1 . . . . . 152 T HA . 51043 1 1582 . 1 . 1 152 152 THR HB H 1 4.842 0.000 . 1 . . . . . 152 T HB . 51043 1 1583 . 1 . 1 152 152 THR HG21 H 1 1.207 0.009 . 1 . . . . . 152 T QG2 . 51043 1 1584 . 1 . 1 152 152 THR HG22 H 1 1.207 0.009 . 1 . . . . . 152 T QG2 . 51043 1 1585 . 1 . 1 152 152 THR HG23 H 1 1.207 0.009 . 1 . . . . . 152 T QG2 . 51043 1 1586 . 1 . 1 152 152 THR CA C 13 60.300 0.000 . 1 . . . . . 152 T CA . 51043 1 1587 . 1 . 1 152 152 THR CG2 C 13 21.302 0.013 . 1 . . . . . 152 T CG2 . 51043 1 1588 . 1 . 1 152 152 THR N N 15 112.525 0.000 . 1 . . . . . 152 T N . 51043 1 1589 . 1 . 1 153 153 ASP H H 1 8.963 0.004 . 1 . . . . . 153 D HN . 51043 1 1590 . 1 . 1 153 153 ASP HA H 1 4.660 0.003 . 1 . . . . . 153 D HA . 51043 1 1591 . 1 . 1 153 153 ASP HB2 H 1 2.797 0.012 . 1 . . . . . 153 D QB . 51043 1 1592 . 1 . 1 153 153 ASP HB3 H 1 2.797 0.012 . 1 . . . . . 153 D QB . 51043 1 1593 . 1 . 1 153 153 ASP CB C 13 40.433 0.092 . 1 . . . . . 153 D CB . 51043 1 1594 . 1 . 1 153 153 ASP N N 15 117.820 0.048 . 1 . . . . . 153 D N . 51043 1 1595 . 1 . 1 154 154 SER H H 1 9.054 0.006 . 1 . . . . . 154 S HN . 51043 1 1596 . 1 . 1 154 154 SER HA H 1 4.772 0.020 . 1 . . . . . 154 S HA . 51043 1 1597 . 1 . 1 154 154 SER HB2 H 1 3.886 0.001 . 1 . . . . . 154 S QB . 51043 1 1598 . 1 . 1 154 154 SER HB3 H 1 3.886 0.001 . 1 . . . . . 154 S QB . 51043 1 1599 . 1 . 1 154 154 SER N N 15 114.741 0.057 . 1 . . . . . 154 S N . 51043 1 1600 . 1 . 1 155 155 GLY H H 1 7.676 0.002 . 1 . . . . . 155 G HN . 51043 1 1601 . 1 . 1 155 155 GLY HA2 H 1 3.947 0.007 . 1 . . . . . 155 G HA1 . 51043 1 1602 . 1 . 1 155 155 GLY HA3 H 1 3.466 0.012 . 1 . . . . . 155 G HA2 . 51043 1 1603 . 1 . 1 155 155 GLY CA C 13 45.329 0.015 . 1 . . . . . 155 G CA . 51043 1 1604 . 1 . 1 155 155 GLY N N 15 110.350 0.053 . 1 . . . . . 155 G N . 51043 1 1605 . 1 . 1 156 156 ILE H H 1 8.294 0.006 . 1 . . . . . 156 I HN . 51043 1 1606 . 1 . 1 156 156 ILE HA H 1 5.003 0.004 . 1 . . . . . 156 I HA . 51043 1 1607 . 1 . 1 156 156 ILE HB H 1 1.479 0.008 . 1 . . . . . 156 I HB . 51043 1 1608 . 1 . 1 156 156 ILE HG12 H 1 1.611 0.004 . 1 . . . . . 156 I QG1 . 51043 1 1609 . 1 . 1 156 156 ILE HG13 H 1 1.611 0.004 . 1 . . . . . 156 I QG1 . 51043 1 1610 . 1 . 1 156 156 ILE HG21 H 1 0.422 0.010 . 1 . . . . . 156 I QG2 . 51043 1 1611 . 1 . 1 156 156 ILE HG22 H 1 0.422 0.010 . 1 . . . . . 156 I QG2 . 51043 1 1612 . 1 . 1 156 156 ILE HG23 H 1 0.422 0.010 . 1 . . . . . 156 I QG2 . 51043 1 1613 . 1 . 1 156 156 ILE HD11 H 1 0.745 0.008 . 1 . . . . . 156 I QD1 . 51043 1 1614 . 1 . 1 156 156 ILE HD12 H 1 0.745 0.008 . 1 . . . . . 156 I QD1 . 51043 1 1615 . 1 . 1 156 156 ILE HD13 H 1 0.745 0.008 . 1 . . . . . 156 I QD1 . 51043 1 1616 . 1 . 1 156 156 ILE CA C 13 59.960 0.000 . 1 . . . . . 156 I CA . 51043 1 1617 . 1 . 1 156 156 ILE CB C 13 39.224 0.039 . 1 . . . . . 156 I CB . 51043 1 1618 . 1 . 1 156 156 ILE CG1 C 13 26.666 0.000 . 1 . . . . . 156 I CG1 . 51043 1 1619 . 1 . 1 156 156 ILE CG2 C 13 18.193 0.017 . 1 . . . . . 156 I CG2 . 51043 1 1620 . 1 . 1 156 156 ILE CD1 C 13 15.450 0.063 . 1 . . . . . 156 I CD1 . 51043 1 1621 . 1 . 1 156 156 ILE N N 15 123.319 0.040 . 1 . . . . . 156 I N . 51043 1 1622 . 1 . 1 157 157 HIS H H 1 9.918 0.001 . 1 . . . . . 157 H HN . 51043 1 1623 . 1 . 1 157 157 HIS HA H 1 5.967 0.011 . 1 . . . . . 157 H HA . 51043 1 1624 . 1 . 1 157 157 HIS HB2 H 1 3.115 0.008 . 2 . . . . . 157 H HB2 . 51043 1 1625 . 1 . 1 157 157 HIS HB3 H 1 2.936 0.013 . 2 . . . . . 157 H HB3 . 51043 1 1626 . 1 . 1 157 157 HIS HD2 H 1 7.181 0.012 . 1 . . . . . 157 H HD2 . 51043 1 1627 . 1 . 1 157 157 HIS HE1 H 1 7.801 0.005 . 1 . . . . . 157 H HE1 . 51043 1 1628 . 1 . 1 157 157 HIS CA C 13 53.869 0.041 . 1 . . . . . 157 H CA . 51043 1 1629 . 1 . 1 157 157 HIS CB C 13 32.095 0.048 . 1 . . . . . 157 H CB . 51043 1 1630 . 1 . 1 157 157 HIS CD2 C 13 130.425 0.000 . 1 . . . . . 157 H CD2 . 51043 1 1631 . 1 . 1 157 157 HIS CE1 C 13 136.205 0.000 . 1 . . . . . 157 H CE1 . 51043 1 1632 . 1 . 1 157 157 HIS N N 15 124.592 0.000 . 1 . . . . . 157 H N . 51043 1 1633 . 1 . 1 158 158 ILE H H 1 8.567 0.005 . 1 . . . . . 158 I HN . 51043 1 1634 . 1 . 1 158 158 ILE HA H 1 4.176 0.009 . 1 . . . . . 158 I HA . 51043 1 1635 . 1 . 1 158 158 ILE HB H 1 1.751 0.009 . 1 . . . . . 158 I HB . 51043 1 1636 . 1 . 1 158 158 ILE HG12 H 1 1.855 0.011 . 1 . . . . . 158 I QG1 . 51043 1 1637 . 1 . 1 158 158 ILE HG13 H 1 1.855 0.011 . 1 . . . . . 158 I QG1 . 51043 1 1638 . 1 . 1 158 158 ILE HG21 H 1 1.048 0.010 . 1 . . . . . 158 I QG2 . 51043 1 1639 . 1 . 1 158 158 ILE HG22 H 1 1.048 0.010 . 1 . . . . . 158 I QG2 . 51043 1 1640 . 1 . 1 158 158 ILE HG23 H 1 1.048 0.010 . 1 . . . . . 158 I QG2 . 51043 1 1641 . 1 . 1 158 158 ILE HD11 H 1 1.001 0.007 . 1 . . . . . 158 I QD1 . 51043 1 1642 . 1 . 1 158 158 ILE HD12 H 1 1.001 0.007 . 1 . . . . . 158 I QD1 . 51043 1 1643 . 1 . 1 158 158 ILE HD13 H 1 1.001 0.007 . 1 . . . . . 158 I QD1 . 51043 1 1644 . 1 . 1 158 158 ILE CA C 13 62.261 0.018 . 1 . . . . . 158 I CA . 51043 1 1645 . 1 . 1 158 158 ILE CB C 13 41.425 0.002 . 1 . . . . . 158 I CB . 51043 1 1646 . 1 . 1 158 158 ILE CG1 C 13 26.801 0.045 . 1 . . . . . 158 I CG1 . 51043 1 1647 . 1 . 1 158 158 ILE CG2 C 13 19.182 0.032 . 1 . . . . . 158 I CG2 . 51043 1 1648 . 1 . 1 158 158 ILE CD1 C 13 14.838 0.009 . 1 . . . . . 158 I CD1 . 51043 1 1649 . 1 . 1 158 158 ILE N N 15 116.037 0.055 . 1 . . . . . 158 I N . 51043 1 1650 . 1 . 1 159 159 ILE H H 1 8.872 0.010 . 1 . . . . . 159 I HN . 51043 1 1651 . 1 . 1 159 159 ILE HA H 1 4.681 0.019 . 1 . . . . . 159 I HA . 51043 1 1652 . 1 . 1 159 159 ILE HB H 1 1.264 0.009 . 1 . . . . . 159 I HB . 51043 1 1653 . 1 . 1 159 159 ILE HG12 H 1 0.493 0.010 . 1 . . . . . 159 I HG12 . 51043 1 1654 . 1 . 1 159 159 ILE HG13 H 1 1.342 0.010 . 1 . . . . . 159 I HG13 . 51043 1 1655 . 1 . 1 159 159 ILE HG21 H 1 0.704 0.008 . 1 . . . . . 159 I QG2 . 51043 1 1656 . 1 . 1 159 159 ILE HG22 H 1 0.704 0.008 . 1 . . . . . 159 I QG2 . 51043 1 1657 . 1 . 1 159 159 ILE HG23 H 1 0.704 0.008 . 1 . . . . . 159 I QG2 . 51043 1 1658 . 1 . 1 159 159 ILE HD11 H 1 -0.091 0.012 . 1 . . . . . 159 I QD1 . 51043 1 1659 . 1 . 1 159 159 ILE HD12 H 1 -0.091 0.012 . 1 . . . . . 159 I QD1 . 51043 1 1660 . 1 . 1 159 159 ILE HD13 H 1 -0.091 0.012 . 1 . . . . . 159 I QD1 . 51043 1 1661 . 1 . 1 159 159 ILE CA C 13 61.014 0.000 . 1 . . . . . 159 I CA . 51043 1 1662 . 1 . 1 159 159 ILE CB C 13 41.629 0.006 . 1 . . . . . 159 I CB . 51043 1 1663 . 1 . 1 159 159 ILE CG1 C 13 27.505 0.054 . 1 . . . . . 159 I CG1 . 51043 1 1664 . 1 . 1 159 159 ILE CG2 C 13 17.809 0.057 . 1 . . . . . 159 I CG2 . 51043 1 1665 . 1 . 1 159 159 ILE CD1 C 13 14.744 0.048 . 1 . . . . . 159 I CD1 . 51043 1 1666 . 1 . 1 159 159 ILE N N 15 125.826 0.000 . 1 . . . . . 159 I N . 51043 1 1667 . 1 . 1 160 160 LEU H H 1 8.809 0.002 . 1 . . . . . 160 L HN . 51043 1 1668 . 1 . 1 160 160 LEU HA H 1 4.821 0.020 . 1 . . . . . 160 L HA . 51043 1 1669 . 1 . 1 160 160 LEU HB2 H 1 0.776 0.013 . 2 . . . . . 160 L HB2 . 51043 1 1670 . 1 . 1 160 160 LEU HB3 H 1 -0.008 0.011 . 2 . . . . . 160 L HB3 . 51043 1 1671 . 1 . 1 160 160 LEU HG H 1 0.842 0.006 . 1 . . . . . 160 L HG . 51043 1 1672 . 1 . 1 160 160 LEU HD11 H 1 0.447 0.009 . 1 . . . . . 160 L QD1 . 51043 1 1673 . 1 . 1 160 160 LEU HD12 H 1 0.447 0.009 . 1 . . . . . 160 L QD1 . 51043 1 1674 . 1 . 1 160 160 LEU HD13 H 1 0.447 0.009 . 1 . . . . . 160 L QD1 . 51043 1 1675 . 1 . 1 160 160 LEU HD21 H 1 0.308 0.010 . 1 . . . . . 160 L QD2 . 51043 1 1676 . 1 . 1 160 160 LEU HD22 H 1 0.308 0.010 . 1 . . . . . 160 L QD2 . 51043 1 1677 . 1 . 1 160 160 LEU HD23 H 1 0.308 0.010 . 1 . . . . . 160 L QD2 . 51043 1 1678 . 1 . 1 160 160 LEU CA C 13 53.001 0.000 . 1 . . . . . 160 L CA . 51043 1 1679 . 1 . 1 160 160 LEU CB C 13 45.358 0.000 . 1 . . . . . 160 L CB . 51043 1 1680 . 1 . 1 160 160 LEU CG C 13 26.826 0.000 . 1 . . . . . 160 L CG . 51043 1 1681 . 1 . 1 160 160 LEU CD1 C 13 22.583 0.015 . 1 . . . . . 160 L CD1 . 51043 1 1682 . 1 . 1 160 160 LEU CD2 C 13 25.680 0.003 . 1 . . . . . 160 L CD2 . 51043 1 1683 . 1 . 1 160 160 LEU N N 15 128.869 0.030 . 1 . . . . . 160 L N . 51043 1 1684 . 1 . 1 161 161 ARG H H 1 8.082 0.000 . 1 . . . . . 161 R HN . 51043 1 1685 . 1 . 1 161 161 ARG HA H 1 5.097 0.009 . 1 . . . . . 161 R HA . 51043 1 1686 . 1 . 1 161 161 ARG HB2 H 1 1.922 0.003 . 1 . . . . . 161 R QB . 51043 1 1687 . 1 . 1 161 161 ARG HB3 H 1 1.922 0.003 . 1 . . . . . 161 R QB . 51043 1 1688 . 1 . 1 161 161 ARG HG2 H 1 1.587 0.000 . 1 . . . . . 161 R HG2 . 51043 1 1689 . 1 . 1 161 161 ARG HG3 H 1 1.094 0.002 . 1 . . . . . 161 R HG3 . 51043 1 1690 . 1 . 1 161 161 ARG CA C 13 56.462 0.000 . 1 . . . . . 161 R CA . 51043 1 1691 . 1 . 1 161 161 ARG N N 15 127.509 0.055 . 1 . . . . . 161 R N . 51043 1 1692 . 1 . 1 162 162 THR H H 1 9.084 0.033 . 1 . . . . . 162 T HN . 51043 1 1693 . 1 . 1 162 162 THR HA H 1 4.372 0.009 . 1 . . . . . 162 T HA . 51043 1 1694 . 1 . 1 162 162 THR HB H 1 4.160 0.007 . 1 . . . . . 162 T HB . 51043 1 1695 . 1 . 1 162 162 THR HG21 H 1 1.004 0.005 . 1 . . . . . 162 T QG2 . 51043 1 1696 . 1 . 1 162 162 THR HG22 H 1 1.004 0.005 . 1 . . . . . 162 T QG2 . 51043 1 1697 . 1 . 1 162 162 THR HG23 H 1 1.004 0.005 . 1 . . . . . 162 T QG2 . 51043 1 1698 . 1 . 1 162 162 THR CA C 13 62.079 0.086 . 1 . . . . . 162 T CA . 51043 1 1699 . 1 . 1 162 162 THR CB C 13 69.333 0.000 . 1 . . . . . 162 T CB . 51043 1 1700 . 1 . 1 162 162 THR CG2 C 13 21.465 0.083 . 1 . . . . . 162 T CG2 . 51043 1 1701 . 1 . 1 162 162 THR N N 15 120.765 0.227 . 1 . . . . . 162 T N . 51043 1 1702 . 1 . 1 163 163 GLU H H 1 7.959 0.011 . 1 . . . . . 163 E HN . 51043 1 1703 . 1 . 1 163 163 GLU HA H 1 4.076 0.006 . 1 . . . . . 163 E HA . 51043 1 1704 . 1 . 1 163 163 GLU HB2 H 1 1.728 0.010 . 2 . . . . . 163 E HB2 . 51043 1 1705 . 1 . 1 163 163 GLU HB3 H 1 1.931 0.005 . 2 . . . . . 163 E HB3 . 51043 1 1706 . 1 . 1 163 163 GLU HG2 H 1 2.130 0.012 . 1 . . . . . 163 E QG . 51043 1 1707 . 1 . 1 163 163 GLU HG3 H 1 2.130 0.012 . 1 . . . . . 163 E QG . 51043 1 1708 . 1 . 1 163 163 GLU CA C 13 58.287 0.015 . 1 . . . . . 163 E CA . 51043 1 1709 . 1 . 1 163 163 GLU CB C 13 33.418 0.025 . 1 . . . . . 163 E CB . 51043 1 1710 . 1 . 1 163 163 GLU CG C 13 36.705 0.000 . 1 . . . . . 163 E CG . 51043 1 1711 . 1 . 1 163 163 GLU N N 15 126.225 0.008 . 1 . . . . . 163 E N . 51043 1 stop_ save_