data_28046 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28046 _Entry.Title ; RalA.GMPPNP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-25 _Entry.Accession_date 2019-11-25 _Entry.Last_release_date 2019-11-25 _Entry.Original_release_date 2019-11-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Assignments of RalA Q72L mutant. Truncated at residue 184.' _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 Arooj Shafiq . . Dr . 28046 2 Darerca Owen . . Dr . 28046 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 28046 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 583 28046 '15N chemical shifts' 177 28046 '1H chemical shifts' 1189 28046 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-04-17 2019-11-25 update BMRB 'update entry citation' 28046 1 . . 2020-02-26 2019-11-25 original author 'original release' 28046 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28047 RalA.GDP 28046 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28046 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31916136 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR resonance assignments for the active and inactive conformations of the small G protein RalA ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 87 _Citation.Page_last 91 _Citation.Year 2020 _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 Arooj Shafiq . . . . 28046 1 2 Louise Campbell . J. . . 28046 1 3 Darerca Owen . . . . 28046 1 4 Helen Mott . R. . . 28046 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28046 _Assembly.ID 1 _Assembly.Name RalA.PNP _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RalA 1 $RalA A . yes native no no . . . 28046 1 2 PNP 2 $entity_GNP A . yes native no no . . . 28046 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RalA _Entity.Sf_category entity _Entity.Sf_framecode RalA _Entity.Entry_ID 28046 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RalA _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 ; MAANKPKGQNSLALHKVIMV GSGGVGKSALTLQFMYDEFV EDYEPTKADSYRKKVVLDGE EVQIDILDTAGLEDYAAIRD NYFRSGEGFLCVFSITEMES FAATADFREQILRVKEDENV PFLLVGNKSDLEDKRQVSVE EAKNRADQWNVNYVETSAKT RANVDKVFFDLMREIRARKM EDSK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 184 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . 28046 1 2 . ALA . 28046 1 3 . ALA . 28046 1 4 . ASN . 28046 1 5 . LYS . 28046 1 6 . PRO . 28046 1 7 . LYS . 28046 1 8 . GLY . 28046 1 9 . GLN . 28046 1 10 . ASN . 28046 1 11 . SER . 28046 1 12 . LEU . 28046 1 13 . ALA . 28046 1 14 . LEU . 28046 1 15 . HIS . 28046 1 16 . LYS . 28046 1 17 . VAL . 28046 1 18 . ILE . 28046 1 19 . MET . 28046 1 20 . VAL . 28046 1 21 . GLY . 28046 1 22 . SER . 28046 1 23 . GLY . 28046 1 24 . GLY . 28046 1 25 . VAL . 28046 1 26 . GLY . 28046 1 27 . LYS . 28046 1 28 . SER . 28046 1 29 . ALA . 28046 1 30 . LEU . 28046 1 31 . THR . 28046 1 32 . LEU . 28046 1 33 . GLN . 28046 1 34 . PHE . 28046 1 35 . MET . 28046 1 36 . TYR . 28046 1 37 . ASP . 28046 1 38 . GLU . 28046 1 39 . PHE . 28046 1 40 . VAL . 28046 1 41 . GLU . 28046 1 42 . ASP . 28046 1 43 . TYR . 28046 1 44 . GLU . 28046 1 45 . PRO . 28046 1 46 . THR . 28046 1 47 . LYS . 28046 1 48 . ALA . 28046 1 49 . ASP . 28046 1 50 . SER . 28046 1 51 . TYR . 28046 1 52 . ARG . 28046 1 53 . LYS . 28046 1 54 . LYS . 28046 1 55 . VAL . 28046 1 56 . VAL . 28046 1 57 . LEU . 28046 1 58 . ASP . 28046 1 59 . GLY . 28046 1 60 . GLU . 28046 1 61 . GLU . 28046 1 62 . VAL . 28046 1 63 . GLN . 28046 1 64 . ILE . 28046 1 65 . ASP . 28046 1 66 . ILE . 28046 1 67 . LEU . 28046 1 68 . ASP . 28046 1 69 . THR . 28046 1 70 . ALA . 28046 1 71 . GLY . 28046 1 72 . LEU . 28046 1 73 . GLU . 28046 1 74 . ASP . 28046 1 75 . TYR . 28046 1 76 . ALA . 28046 1 77 . ALA . 28046 1 78 . ILE . 28046 1 79 . ARG . 28046 1 80 . ASP . 28046 1 81 . ASN . 28046 1 82 . TYR . 28046 1 83 . PHE . 28046 1 84 . ARG . 28046 1 85 . SER . 28046 1 86 . GLY . 28046 1 87 . GLU . 28046 1 88 . GLY . 28046 1 89 . PHE . 28046 1 90 . LEU . 28046 1 91 . CYS . 28046 1 92 . VAL . 28046 1 93 . PHE . 28046 1 94 . SER . 28046 1 95 . ILE . 28046 1 96 . THR . 28046 1 97 . GLU . 28046 1 98 . MET . 28046 1 99 . GLU . 28046 1 100 . SER . 28046 1 101 . PHE . 28046 1 102 . ALA . 28046 1 103 . ALA . 28046 1 104 . THR . 28046 1 105 . ALA . 28046 1 106 . ASP . 28046 1 107 . PHE . 28046 1 108 . ARG . 28046 1 109 . GLU . 28046 1 110 . GLN . 28046 1 111 . ILE . 28046 1 112 . LEU . 28046 1 113 . ARG . 28046 1 114 . VAL . 28046 1 115 . LYS . 28046 1 116 . GLU . 28046 1 117 . ASP . 28046 1 118 . GLU . 28046 1 119 . ASN . 28046 1 120 . VAL . 28046 1 121 . PRO . 28046 1 122 . PHE . 28046 1 123 . LEU . 28046 1 124 . LEU . 28046 1 125 . VAL . 28046 1 126 . GLY . 28046 1 127 . ASN . 28046 1 128 . LYS . 28046 1 129 . SER . 28046 1 130 . ASP . 28046 1 131 . LEU . 28046 1 132 . GLU . 28046 1 133 . ASP . 28046 1 134 . LYS . 28046 1 135 . ARG . 28046 1 136 . GLN . 28046 1 137 . VAL . 28046 1 138 . SER . 28046 1 139 . VAL . 28046 1 140 . GLU . 28046 1 141 . GLU . 28046 1 142 . ALA . 28046 1 143 . LYS . 28046 1 144 . ASN . 28046 1 145 . ARG . 28046 1 146 . ALA . 28046 1 147 . ASP . 28046 1 148 . GLN . 28046 1 149 . TRP . 28046 1 150 . ASN . 28046 1 151 . VAL . 28046 1 152 . ASN . 28046 1 153 . TYR . 28046 1 154 . VAL . 28046 1 155 . GLU . 28046 1 156 . THR . 28046 1 157 . SER . 28046 1 158 . ALA . 28046 1 159 . LYS . 28046 1 160 . THR . 28046 1 161 . ARG . 28046 1 162 . ALA . 28046 1 163 . ASN . 28046 1 164 . VAL . 28046 1 165 . ASP . 28046 1 166 . LYS . 28046 1 167 . VAL . 28046 1 168 . PHE . 28046 1 169 . PHE . 28046 1 170 . ASP . 28046 1 171 . LEU . 28046 1 172 . MET . 28046 1 173 . ARG . 28046 1 174 . GLU . 28046 1 175 . ILE . 28046 1 176 . ARG . 28046 1 177 . ALA . 28046 1 178 . ARG . 28046 1 179 . LYS . 28046 1 180 . MET . 28046 1 181 . GLU . 28046 1 182 . ASP . 28046 1 183 . SER . 28046 1 184 . LYS . 28046 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 28046 1 . ALA 2 2 28046 1 . ALA 3 3 28046 1 . ASN 4 4 28046 1 . LYS 5 5 28046 1 . PRO 6 6 28046 1 . LYS 7 7 28046 1 . GLY 8 8 28046 1 . GLN 9 9 28046 1 . ASN 10 10 28046 1 . SER 11 11 28046 1 . LEU 12 12 28046 1 . ALA 13 13 28046 1 . LEU 14 14 28046 1 . HIS 15 15 28046 1 . LYS 16 16 28046 1 . VAL 17 17 28046 1 . ILE 18 18 28046 1 . MET 19 19 28046 1 . VAL 20 20 28046 1 . GLY 21 21 28046 1 . SER 22 22 28046 1 . GLY 23 23 28046 1 . GLY 24 24 28046 1 . VAL 25 25 28046 1 . GLY 26 26 28046 1 . LYS 27 27 28046 1 . SER 28 28 28046 1 . ALA 29 29 28046 1 . LEU 30 30 28046 1 . THR 31 31 28046 1 . LEU 32 32 28046 1 . GLN 33 33 28046 1 . PHE 34 34 28046 1 . MET 35 35 28046 1 . TYR 36 36 28046 1 . ASP 37 37 28046 1 . GLU 38 38 28046 1 . PHE 39 39 28046 1 . VAL 40 40 28046 1 . GLU 41 41 28046 1 . ASP 42 42 28046 1 . TYR 43 43 28046 1 . GLU 44 44 28046 1 . PRO 45 45 28046 1 . THR 46 46 28046 1 . LYS 47 47 28046 1 . ALA 48 48 28046 1 . ASP 49 49 28046 1 . SER 50 50 28046 1 . TYR 51 51 28046 1 . ARG 52 52 28046 1 . LYS 53 53 28046 1 . LYS 54 54 28046 1 . VAL 55 55 28046 1 . VAL 56 56 28046 1 . LEU 57 57 28046 1 . ASP 58 58 28046 1 . GLY 59 59 28046 1 . GLU 60 60 28046 1 . GLU 61 61 28046 1 . VAL 62 62 28046 1 . GLN 63 63 28046 1 . ILE 64 64 28046 1 . ASP 65 65 28046 1 . ILE 66 66 28046 1 . LEU 67 67 28046 1 . ASP 68 68 28046 1 . THR 69 69 28046 1 . ALA 70 70 28046 1 . GLY 71 71 28046 1 . LEU 72 72 28046 1 . GLU 73 73 28046 1 . ASP 74 74 28046 1 . TYR 75 75 28046 1 . ALA 76 76 28046 1 . ALA 77 77 28046 1 . ILE 78 78 28046 1 . ARG 79 79 28046 1 . ASP 80 80 28046 1 . ASN 81 81 28046 1 . TYR 82 82 28046 1 . PHE 83 83 28046 1 . ARG 84 84 28046 1 . SER 85 85 28046 1 . GLY 86 86 28046 1 . GLU 87 87 28046 1 . GLY 88 88 28046 1 . PHE 89 89 28046 1 . LEU 90 90 28046 1 . CYS 91 91 28046 1 . VAL 92 92 28046 1 . PHE 93 93 28046 1 . SER 94 94 28046 1 . ILE 95 95 28046 1 . THR 96 96 28046 1 . GLU 97 97 28046 1 . MET 98 98 28046 1 . GLU 99 99 28046 1 . SER 100 100 28046 1 . PHE 101 101 28046 1 . ALA 102 102 28046 1 . ALA 103 103 28046 1 . THR 104 104 28046 1 . ALA 105 105 28046 1 . ASP 106 106 28046 1 . PHE 107 107 28046 1 . ARG 108 108 28046 1 . GLU 109 109 28046 1 . GLN 110 110 28046 1 . ILE 111 111 28046 1 . LEU 112 112 28046 1 . ARG 113 113 28046 1 . VAL 114 114 28046 1 . LYS 115 115 28046 1 . GLU 116 116 28046 1 . ASP 117 117 28046 1 . GLU 118 118 28046 1 . ASN 119 119 28046 1 . VAL 120 120 28046 1 . PRO 121 121 28046 1 . PHE 122 122 28046 1 . LEU 123 123 28046 1 . LEU 124 124 28046 1 . VAL 125 125 28046 1 . GLY 126 126 28046 1 . ASN 127 127 28046 1 . LYS 128 128 28046 1 . SER 129 129 28046 1 . ASP 130 130 28046 1 . LEU 131 131 28046 1 . GLU 132 132 28046 1 . ASP 133 133 28046 1 . LYS 134 134 28046 1 . ARG 135 135 28046 1 . GLN 136 136 28046 1 . VAL 137 137 28046 1 . SER 138 138 28046 1 . VAL 139 139 28046 1 . GLU 140 140 28046 1 . GLU 141 141 28046 1 . ALA 142 142 28046 1 . LYS 143 143 28046 1 . ASN 144 144 28046 1 . ARG 145 145 28046 1 . ALA 146 146 28046 1 . ASP 147 147 28046 1 . GLN 148 148 28046 1 . TRP 149 149 28046 1 . ASN 150 150 28046 1 . VAL 151 151 28046 1 . ASN 152 152 28046 1 . TYR 153 153 28046 1 . VAL 154 154 28046 1 . GLU 155 155 28046 1 . THR 156 156 28046 1 . SER 157 157 28046 1 . ALA 158 158 28046 1 . LYS 159 159 28046 1 . THR 160 160 28046 1 . ARG 161 161 28046 1 . ALA 162 162 28046 1 . ASN 163 163 28046 1 . VAL 164 164 28046 1 . ASP 165 165 28046 1 . LYS 166 166 28046 1 . VAL 167 167 28046 1 . PHE 168 168 28046 1 . PHE 169 169 28046 1 . ASP 170 170 28046 1 . LEU 171 171 28046 1 . MET 172 172 28046 1 . ARG 173 173 28046 1 . GLU 174 174 28046 1 . ILE 175 175 28046 1 . ARG 176 176 28046 1 . ALA 177 177 28046 1 . ARG 178 178 28046 1 . LYS 179 179 28046 1 . MET 180 180 28046 1 . GLU 181 181 28046 1 . ASP 182 182 28046 1 . SER 183 183 28046 1 . LYS 184 184 28046 1 stop_ save_ save_entity_GNP _Entity.Sf_category entity _Entity.Sf_framecode entity_GNP _Entity.Entry_ID 28046 _Entity.ID 2 _Entity.BMRB_code GNP _Entity.Name 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID GNP _Entity.Nonpolymer_comp_label $chem_comp_GNP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 522.196 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' BMRB 28046 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' BMRB 28046 2 GNP 'Three letter code' 28046 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GNP $chem_comp_GNP 28046 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 28046 _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 $RalA . 9490 organism . 'Saguinus Oedipus' 'cotton-top tamarin' . . Eukaryota metazoa Saguinus Oedipus . . . . . . . . . . . . . 28046 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 28046 _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 $RalA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGex6P . . . 28046 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GNP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GNP _Chem_comp.Entry_ID 28046 _Chem_comp.ID GNP _Chem_comp.Provenance PDB _Chem_comp.Name 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code GNP _Chem_comp.PDB_code GNP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces GTN _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code GNP _Chem_comp.Number_atoms_all 49 _Chem_comp.Number_atoms_nh 32 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H17 N6 O13 P3' _Chem_comp.Formula_weight 522.196 _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 1CTQ _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 ; InChI InChI 1.03 28046 GNP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 28046 GNP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 28046 GNP O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 28046 GNP UQABYHGXWYXDTK-UUOKFMHZSA-N InChIKey InChI 1.03 28046 GNP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 28046 GNP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 28046 GNP 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 5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine 'SYSTEMATIC NAME' ACDLabs 10.04 28046 GNP ; [[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 28046 GNP 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 PG PG PG PG . P . . N 0 . . . 1 no no . . . . 4.935 . 31.507 . 21.691 . -1.231 -0.295 7.212 1 . 28046 GNP O1G O1G O1G O1G . O . . N 0 . . . 1 no no . . . . 4.899 . 32.144 . 23.047 . -1.759 1.078 7.063 2 . 28046 GNP O2G O2G O2G O2G . O . . N 0 . . . 1 no no . . . . 4.129 . 32.343 . 20.710 . -2.158 -1.118 8.240 3 . 28046 GNP O3G O3G O3G O3G . O . . N 0 . . . 1 no no . . . . 4.556 . 30.076 . 21.650 . 0.274 -0.234 7.778 4 . 28046 GNP N3B N3B N3B N3B . N . . N 0 . . . 1 no no . . . . 6.611 . 31.682 . 21.302 . -1.236 -1.064 5.714 5 . 28046 GNP PB PB PB PB . P . . R 0 . . . 1 no no . . . . 7.202 . 31.350 . 19.762 . -0.252 -0.151 4.699 6 . 28046 GNP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 7.408 . 29.908 . 19.616 . -0.795 1.221 4.589 7 . 28046 GNP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 6.425 . 32.127 . 18.752 . 1.237 -0.091 5.307 8 . 28046 GNP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 8.690 . 32.006 . 19.856 . -0.209 -0.830 3.240 9 . 28046 GNP PA PA PA PA . P . . S 0 . . . 1 no no . . . . 9.197 . 33.390 . 19.367 . 0.744 0.089 2.326 10 . 28046 GNP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 9.236 . 33.433 . 17.890 . 0.185 1.458 2.252 11 . 28046 GNP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 8.532 . 34.468 . 20.185 . 2.216 0.145 2.974 12 . 28046 GNP O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 10.648 . 33.354 . 19.815 . 0.832 -0.534 0.845 13 . 28046 GNP C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 11.013 . 33.228 . 21.198 . 1.688 0.322 0.086 14 . 28046 GNP C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 12.433 . 33.663 . 21.389 . 1.815 -0.217 -1.339 15 . 28046 GNP O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 13.401 . 32.943 . 20.714 . 0.524 -0.237 -1.986 16 . 28046 GNP C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 12.657 . 35.142 . 20.956 . 2.674 0.734 -2.202 17 . 28046 GNP O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 13.626 . 35.786 . 21.804 . 4.018 0.258 -2.285 18 . 28046 GNP C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . 13.257 . 34.966 . 19.546 . 1.997 0.695 -3.592 19 . 28046 GNP O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 14.067 . 36.035 . 19.166 . 2.904 0.196 -4.577 20 . 28046 GNP C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 14.116 . 33.758 . 19.817 . 0.808 -0.272 -3.402 21 . 28046 GNP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 14.351 . 32.999 . 18.572 . -0.352 0.188 -4.166 22 . 28046 GNP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 13.285 . 32.569 . 17.679 . -1.315 1.051 -3.730 23 . 28046 GNP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 13.785 . 31.834 . 16.715 . -2.196 1.240 -4.668 24 . 28046 GNP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 15.262 . 31.974 . 16.869 . -1.853 0.512 -5.759 25 . 28046 GNP C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 16.309 . 31.355 . 16.084 . -2.423 0.330 -7.041 26 . 28046 GNP O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 16.242 . 30.767 . 15.067 . -3.453 0.902 -7.354 27 . 28046 GNP N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 17.523 . 31.709 . 16.581 . -1.794 -0.489 -7.912 28 . 28046 GNP C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 17.576 . 32.330 . 17.793 . -0.646 -1.129 -7.549 29 . 28046 GNP N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . 18.953 . 32.527 . 18.141 . -0.033 -1.960 -8.453 30 . 28046 GNP N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 16.717 . 32.788 . 18.612 . -0.107 -0.968 -6.361 31 . 28046 GNP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 15.526 . 32.598 . 18.035 . -0.670 -0.168 -5.449 32 . 28046 GNP HOG2 HOG2 HOG2 2HOG . H . . N 0 . . . 0 no no . . . . 4.151 . 31.939 . 19.850 . -2.127 -0.645 9.083 33 . 28046 GNP HOG3 HOG3 HOG3 3HOG . H . . N 0 . . . 0 no no . . . . 4.578 . 29.672 . 20.790 . 0.579 -1.147 7.860 34 . 28046 GNP HNB3 HNB3 HNB3 3HNB . H . . N 0 . . . 0 no no . . . . 7.146 . 31.125 . 21.968 . -2.175 -0.988 5.353 35 . 28046 GNP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 no no . . . . 6.758 . 31.939 . 17.882 . 1.553 -1.004 5.362 36 . 28046 GNP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 8.842 . 35.314 . 19.885 . 2.543 -0.764 3.004 37 . 28046 GNP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 10.312 . 33.778 . 21.868 . 1.265 1.326 0.058 38 . 28046 GNP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 10.833 . 32.198 . 21.586 . 2.673 0.356 0.551 39 . 28046 GNP H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 12.560 . 33.493 . 22.483 . 2.251 -1.216 -1.329 40 . 28046 GNP H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 11.732 . 35.763 . 21.003 . 2.652 1.744 -1.793 41 . 28046 GNP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 13.762 . 36.688 . 21.539 . 4.505 0.889 -2.833 42 . 28046 GNP H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 12.500 . 34.887 . 18.730 . 1.639 1.686 -3.871 43 . 28046 GNP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 14.436 . 35.926 . 18.297 . 3.651 0.810 -4.606 44 . 28046 GNP H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . 15.102 . 34.070 . 20.230 . 1.087 -1.281 -3.708 45 . 28046 GNP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 12.203 . 32.779 . 17.728 . -1.341 1.509 -2.752 46 . 28046 GNP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 18.375 . 31.513 . 16.056 . -2.166 -0.630 -8.797 47 . 28046 GNP HN21 HN21 HN21 1HN2 . H . . N 0 . . . 0 no no . . . . 18.992 . 32.991 . 19.048 . 0.786 -2.419 -8.210 48 . 28046 GNP HN22 HN22 HN22 2HN2 . H . . N 0 . . . 0 no no . . . . 19.471 . 33.029 . 17.420 . -0.421 -2.092 -9.332 49 . 28046 GNP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G no N 1 . 28046 GNP 2 . SING PG O2G no N 2 . 28046 GNP 3 . SING PG O3G no N 3 . 28046 GNP 4 . SING PG N3B no N 4 . 28046 GNP 5 . SING O2G HOG2 no N 5 . 28046 GNP 6 . SING O3G HOG3 no N 6 . 28046 GNP 7 . SING N3B PB no N 7 . 28046 GNP 8 . SING N3B HNB3 no N 8 . 28046 GNP 9 . DOUB PB O1B no N 9 . 28046 GNP 10 . SING PB O2B no N 10 . 28046 GNP 11 . SING PB O3A no N 11 . 28046 GNP 12 . SING O2B HOB2 no N 12 . 28046 GNP 13 . SING O3A PA no N 13 . 28046 GNP 14 . DOUB PA O1A no N 14 . 28046 GNP 15 . SING PA O2A no N 15 . 28046 GNP 16 . SING PA O5' no N 16 . 28046 GNP 17 . SING O2A HOA2 no N 17 . 28046 GNP 18 . SING O5' C5' no N 18 . 28046 GNP 19 . SING C5' C4' no N 19 . 28046 GNP 20 . SING C5' H5'2 no N 20 . 28046 GNP 21 . SING C5' H5'1 no N 21 . 28046 GNP 22 . SING C4' O4' no N 22 . 28046 GNP 23 . SING C4' C3' no N 23 . 28046 GNP 24 . SING C4' H4' no N 24 . 28046 GNP 25 . SING O4' C1' no N 25 . 28046 GNP 26 . SING C3' O3' no N 26 . 28046 GNP 27 . SING C3' C2' no N 27 . 28046 GNP 28 . SING C3' H3' no N 28 . 28046 GNP 29 . SING O3' HO3' no N 29 . 28046 GNP 30 . SING C2' O2' no N 30 . 28046 GNP 31 . SING C2' C1' no N 31 . 28046 GNP 32 . SING C2' H2' no N 32 . 28046 GNP 33 . SING O2' HO2' no N 33 . 28046 GNP 34 . SING C1' N9 no N 34 . 28046 GNP 35 . SING C1' H1' no N 35 . 28046 GNP 36 . SING N9 C8 yes N 36 . 28046 GNP 37 . SING N9 C4 yes N 37 . 28046 GNP 38 . DOUB C8 N7 yes N 38 . 28046 GNP 39 . SING C8 H8 no N 39 . 28046 GNP 40 . SING N7 C5 yes N 40 . 28046 GNP 41 . SING C5 C6 yes N 41 . 28046 GNP 42 . DOUB C5 C4 yes N 42 . 28046 GNP 43 . DOUB C6 O6 no N 43 . 28046 GNP 44 . SING C6 N1 yes N 44 . 28046 GNP 45 . SING N1 C2 yes N 45 . 28046 GNP 46 . SING N1 HN1 no N 46 . 28046 GNP 47 . SING C2 N2 no N 47 . 28046 GNP 48 . DOUB C2 N3 yes N 48 . 28046 GNP 49 . SING N2 HN21 no N 49 . 28046 GNP 50 . SING N2 HN22 no N 50 . 28046 GNP 51 . SING N3 C4 yes N 51 . 28046 GNP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28046 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RalA [U-15N] . . 1 $RalA . . 0.26 . . mM 0.1 . . . 28046 1 2 GMPPNP 'natural abundance' . . . . . . 0.26 . . mM 0.1 . . . 28046 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 28046 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 28046 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RalA '[U-15N; U-13C]' . . 1 $RalA . . 0.45 . . mM 0.1 . . . 28046 2 2 GMPPNP 'natural abundance' . . 2 $entity_GNP . . 0.45 . . mM 0.1 . . . 28046 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 28046 2 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 28046 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 28046 1 pH 7.6 . pH 28046 1 pressure 1 . atm 28046 1 temperature 298 . K 28046 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 28046 _Software.ID 1 _Software.Type . _Software.Name CCPN _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 28046 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 28046 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28046 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 28046 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28046 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 28046 1 2 spectrometer_2 Bruker DRX . 800 . . . 28046 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 28046 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28046 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28046 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 28046 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28046 1 5 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28046 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28046 1 7 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28046 1 8 '3D HCCH TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28046 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 28046 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28046 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 28046 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28046 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28046 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_nucleotide _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode nucleotide _Assigned_chem_shift_list.Entry_ID 28046 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D 1H-15N NOESY' . . . 28046 1 9 '3D 1H-13C NOESY aliphatic' . . . 28046 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 . 2 . 2 1 1 GNP H1 H 1 12.985 0.011 . 1 . . . . . 1 GNP H1 . 28046 1 2 . 2 . 2 1 1 GNP H1' H 1 5.943 0.002 . 1 . . . . . 1 GNP H1' . 28046 1 3 . 2 . 2 1 1 GNP H8 H 1 7.871 0.000 . 1 . . . . . 1 GNP H8 . 28046 1 4 . 2 . 2 1 1 GNP H21 H 1 6.277 0.009 . 1 . . . . . 1 GNP H21 . 28046 1 5 . 2 . 2 1 1 GNP H22 H 1 6.277 0.009 . 1 . . . . . 1 GNP H22 . 28046 1 stop_ save_ save_Protein _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Protein _Assigned_chem_shift_list.Entry_ID 28046 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28046 2 2 '3D 1H-15N NOESY' . . . 28046 2 3 '3D 1H-15N TOCSY' . . . 28046 2 4 '3D HNCA' . . . 28046 2 5 '3D HN(CO)CA' . . . 28046 2 6 '3D CBCA(CO)NH' . . . 28046 2 7 '3D HNCACB' . . . 28046 2 8 '3D HCCH TOCSY' . . . 28046 2 9 '3D 1H-13C NOESY aliphatic' . . . 28046 2 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 11 11 SER CA C 13 58.084 0.009 . 1 . . . . . 11 Ser CA . 28046 2 2 . 1 . 1 11 11 SER CB C 13 63.548 0.010 . 1 . . . . . 11 Ser CB . 28046 2 3 . 1 . 1 12 12 LEU H H 1 8.168 0.008 . 1 . . . . . 12 Leu H . 28046 2 4 . 1 . 1 12 12 LEU HA H 1 4.149 0.006 . 1 . . . . . 12 Leu HA . 28046 2 5 . 1 . 1 12 12 LEU HB2 H 1 1.476 0.003 . 2 . . . . . 12 Leu HB2 . 28046 2 6 . 1 . 1 12 12 LEU HB3 H 1 1.561 0.008 . 2 . . . . . 12 Leu HB3 . 28046 2 7 . 1 . 1 12 12 LEU HG H 1 1.594 0.007 . 1 . . . . . 12 Leu HG . 28046 2 8 . 1 . 1 12 12 LEU HD11 H 1 0.769 0.009 . 2 . . . . . 12 Leu HD11 . 28046 2 9 . 1 . 1 12 12 LEU HD12 H 1 0.769 0.009 . 2 . . . . . 12 Leu HD12 . 28046 2 10 . 1 . 1 12 12 LEU HD13 H 1 0.769 0.009 . 2 . . . . . 12 Leu HD13 . 28046 2 11 . 1 . 1 12 12 LEU HD21 H 1 0.775 0.005 . 2 . . . . . 12 Leu HD21 . 28046 2 12 . 1 . 1 12 12 LEU HD22 H 1 0.775 0.005 . 2 . . . . . 12 Leu HD22 . 28046 2 13 . 1 . 1 12 12 LEU HD23 H 1 0.775 0.005 . 2 . . . . . 12 Leu HD23 . 28046 2 14 . 1 . 1 12 12 LEU CA C 13 55.161 0.065 . 1 . . . . . 12 Leu CA . 28046 2 15 . 1 . 1 12 12 LEU CB C 13 41.927 0.023 . 1 . . . . . 12 Leu CB . 28046 2 16 . 1 . 1 12 12 LEU CG C 13 27.052 0.014 . 1 . . . . . 12 Leu CG . 28046 2 17 . 1 . 1 12 12 LEU CD1 C 13 23.769 0.043 . 2 . . . . . 12 Leu CD1 . 28046 2 18 . 1 . 1 12 12 LEU CD2 C 13 24.999 0.029 . 2 . . . . . 12 Leu CD2 . 28046 2 19 . 1 . 1 12 12 LEU N N 15 123.378 0.036 . 1 . . . . . 12 Leu N . 28046 2 20 . 1 . 1 13 13 ALA H H 1 8.271 0.006 . 1 . . . . . 13 Ala H . 28046 2 21 . 1 . 1 13 13 ALA HA H 1 4.075 0.003 . 1 . . . . . 13 Ala HA . 28046 2 22 . 1 . 1 13 13 ALA HB1 H 1 1.140 0.004 . 1 . . . . . 13 Ala HB1 . 28046 2 23 . 1 . 1 13 13 ALA HB2 H 1 1.140 0.004 . 1 . . . . . 13 Ala HB2 . 28046 2 24 . 1 . 1 13 13 ALA HB3 H 1 1.140 0.004 . 1 . . . . . 13 Ala HB3 . 28046 2 25 . 1 . 1 13 13 ALA CA C 13 51.823 0.036 . 1 . . . . . 13 Ala CA . 28046 2 26 . 1 . 1 13 13 ALA CB C 13 19.173 0.039 . 1 . . . . . 13 Ala CB . 28046 2 27 . 1 . 1 13 13 ALA N N 15 122.650 0.044 . 1 . . . . . 13 Ala N . 28046 2 28 . 1 . 1 14 14 LEU H H 1 7.186 0.010 . 1 . . . . . 14 Leu H . 28046 2 29 . 1 . 1 14 14 LEU HA H 1 4.865 0.007 . 1 . . . . . 14 Leu HA . 28046 2 30 . 1 . 1 14 14 LEU HB2 H 1 1.129 0.008 . 2 . . . . . 14 Leu HB2 . 28046 2 31 . 1 . 1 14 14 LEU HB3 H 1 1.435 0.006 . 2 . . . . . 14 Leu HB3 . 28046 2 32 . 1 . 1 14 14 LEU HG H 1 1.041 0.006 . 1 . . . . . 14 Leu HG . 28046 2 33 . 1 . 1 14 14 LEU HD11 H 1 0.544 0.004 . 2 . . . . . 14 Leu HD11 . 28046 2 34 . 1 . 1 14 14 LEU HD12 H 1 0.544 0.004 . 2 . . . . . 14 Leu HD12 . 28046 2 35 . 1 . 1 14 14 LEU HD13 H 1 0.544 0.004 . 2 . . . . . 14 Leu HD13 . 28046 2 36 . 1 . 1 14 14 LEU HD21 H 1 0.642 0.018 . 2 . . . . . 14 Leu HD21 . 28046 2 37 . 1 . 1 14 14 LEU HD22 H 1 0.642 0.018 . 2 . . . . . 14 Leu HD22 . 28046 2 38 . 1 . 1 14 14 LEU HD23 H 1 0.642 0.018 . 2 . . . . . 14 Leu HD23 . 28046 2 39 . 1 . 1 14 14 LEU CA C 13 53.148 0.076 . 1 . . . . . 14 Leu CA . 28046 2 40 . 1 . 1 14 14 LEU CB C 13 44.160 0.053 . 1 . . . . . 14 Leu CB . 28046 2 41 . 1 . 1 14 14 LEU CG C 13 27.537 0.038 . 1 . . . . . 14 Leu CG . 28046 2 42 . 1 . 1 14 14 LEU CD1 C 13 23.711 0.022 . 2 . . . . . 14 Leu CD1 . 28046 2 43 . 1 . 1 14 14 LEU CD2 C 13 25.491 0.034 . 2 . . . . . 14 Leu CD2 . 28046 2 44 . 1 . 1 14 14 LEU N N 15 122.765 0.031 . 1 . . . . . 14 Leu N . 28046 2 45 . 1 . 1 15 15 HIS H H 1 8.513 0.008 . 1 . . . . . 15 His H . 28046 2 46 . 1 . 1 15 15 HIS HA H 1 5.292 0.008 . 1 . . . . . 15 His HA . 28046 2 47 . 1 . 1 15 15 HIS HB2 H 1 2.617 0.019 . 2 . . . . . 15 His HB2 . 28046 2 48 . 1 . 1 15 15 HIS HB3 H 1 2.724 0.019 . 2 . . . . . 15 His HB3 . 28046 2 49 . 1 . 1 15 15 HIS HD2 H 1 6.549 0.005 . 1 . . . . . 15 His HD2 . 28046 2 50 . 1 . 1 15 15 HIS HE1 H 1 7.360 0.000 . 1 . . . . . 15 His HE1 . 28046 2 51 . 1 . 1 15 15 HIS CA C 13 53.294 0.054 . 1 . . . . . 15 His CA . 28046 2 52 . 1 . 1 15 15 HIS CB C 13 32.685 0.062 . 1 . . . . . 15 His CB . 28046 2 53 . 1 . 1 15 15 HIS CD2 C 13 116.402 0.118 . 1 . . . . . 15 His CD2 . 28046 2 54 . 1 . 1 15 15 HIS CE1 C 13 138.468 0.000 . 1 . . . . . 15 His CE1 . 28046 2 55 . 1 . 1 15 15 HIS N N 15 125.455 0.036 . 1 . . . . . 15 His N . 28046 2 56 . 1 . 1 16 16 LYS H H 1 8.662 0.007 . 1 . . . . . 16 Lys H . 28046 2 57 . 1 . 1 16 16 LYS HA H 1 4.810 0.007 . 1 . . . . . 16 Lys HA . 28046 2 58 . 1 . 1 16 16 LYS HB2 H 1 1.530 0.011 . 2 . . . . . 16 Lys HB2 . 28046 2 59 . 1 . 1 16 16 LYS HB3 H 1 1.871 0.018 . 2 . . . . . 16 Lys HB3 . 28046 2 60 . 1 . 1 16 16 LYS HG2 H 1 1.062 0.004 . 2 . . . . . 16 Lys HG2 . 28046 2 61 . 1 . 1 16 16 LYS HG3 H 1 1.290 0.005 . 2 . . . . . 16 Lys HG3 . 28046 2 62 . 1 . 1 16 16 LYS HD2 H 1 1.542 0.010 . 2 . . . . . 16 Lys HD2 . 28046 2 63 . 1 . 1 16 16 LYS HD3 H 1 1.591 0.010 . 2 . . . . . 16 Lys HD3 . 28046 2 64 . 1 . 1 16 16 LYS HE2 H 1 2.775 0.017 . 2 . . . . . 16 Lys HE2 . 28046 2 65 . 1 . 1 16 16 LYS HE3 H 1 2.805 0.014 . 2 . . . . . 16 Lys HE3 . 28046 2 66 . 1 . 1 16 16 LYS CA C 13 56.205 0.028 . 1 . . . . . 16 Lys CA . 28046 2 67 . 1 . 1 16 16 LYS CB C 13 32.737 0.028 . 1 . . . . . 16 Lys CB . 28046 2 68 . 1 . 1 16 16 LYS CG C 13 24.939 0.029 . 1 . . . . . 16 Lys CG . 28046 2 69 . 1 . 1 16 16 LYS CD C 13 29.326 0.009 . 1 . . . . . 16 Lys CD . 28046 2 70 . 1 . 1 16 16 LYS CE C 13 41.829 0.004 . 1 . . . . . 16 Lys CE . 28046 2 71 . 1 . 1 16 16 LYS N N 15 123.817 0.034 . 1 . . . . . 16 Lys N . 28046 2 72 . 1 . 1 17 17 VAL H H 1 9.404 0.010 . 1 . . . . . 17 Val H . 28046 2 73 . 1 . 1 17 17 VAL HA H 1 4.278 0.008 . 1 . . . . . 17 Val HA . 28046 2 74 . 1 . 1 17 17 VAL HB H 1 1.826 0.008 . 1 . . . . . 17 Val HB . 28046 2 75 . 1 . 1 17 17 VAL HG11 H 1 0.572 0.009 . 2 . . . . . 17 Val HG11 . 28046 2 76 . 1 . 1 17 17 VAL HG12 H 1 0.572 0.009 . 2 . . . . . 17 Val HG12 . 28046 2 77 . 1 . 1 17 17 VAL HG13 H 1 0.572 0.009 . 2 . . . . . 17 Val HG13 . 28046 2 78 . 1 . 1 17 17 VAL HG21 H 1 0.647 0.010 . 2 . . . . . 17 Val HG21 . 28046 2 79 . 1 . 1 17 17 VAL HG22 H 1 0.647 0.010 . 2 . . . . . 17 Val HG22 . 28046 2 80 . 1 . 1 17 17 VAL HG23 H 1 0.647 0.010 . 2 . . . . . 17 Val HG23 . 28046 2 81 . 1 . 1 17 17 VAL CA C 13 60.748 0.080 . 1 . . . . . 17 Val CA . 28046 2 82 . 1 . 1 17 17 VAL CB C 13 34.327 0.030 . 1 . . . . . 17 Val CB . 28046 2 83 . 1 . 1 17 17 VAL CG1 C 13 21.048 0.061 . 2 . . . . . 17 Val CG1 . 28046 2 84 . 1 . 1 17 17 VAL CG2 C 13 21.183 0.039 . 2 . . . . . 17 Val CG2 . 28046 2 85 . 1 . 1 17 17 VAL N N 15 126.793 0.018 . 1 . . . . . 17 Val N . 28046 2 86 . 1 . 1 18 18 ILE H H 1 7.970 0.005 . 1 . . . . . 18 Ile H . 28046 2 87 . 1 . 1 18 18 ILE HA H 1 4.625 0.013 . 1 . . . . . 18 Ile HA . 28046 2 88 . 1 . 1 18 18 ILE HB H 1 1.656 0.007 . 1 . . . . . 18 Ile HB . 28046 2 89 . 1 . 1 18 18 ILE HG12 H 1 1.056 0.007 . 2 . . . . . 18 Ile HG12 . 28046 2 90 . 1 . 1 18 18 ILE HG13 H 1 1.023 0.023 . 2 . . . . . 18 Ile HG13 . 28046 2 91 . 1 . 1 18 18 ILE HG21 H 1 0.904 0.008 . 1 . . . . . 18 Ile HG21 . 28046 2 92 . 1 . 1 18 18 ILE HG22 H 1 0.904 0.008 . 1 . . . . . 18 Ile HG22 . 28046 2 93 . 1 . 1 18 18 ILE HG23 H 1 0.904 0.008 . 1 . . . . . 18 Ile HG23 . 28046 2 94 . 1 . 1 18 18 ILE HD11 H 1 0.640 0.005 . 1 . . . . . 18 Ile HD11 . 28046 2 95 . 1 . 1 18 18 ILE HD12 H 1 0.640 0.005 . 1 . . . . . 18 Ile HD12 . 28046 2 96 . 1 . 1 18 18 ILE HD13 H 1 0.640 0.005 . 1 . . . . . 18 Ile HD13 . 28046 2 97 . 1 . 1 18 18 ILE CA C 13 58.775 0.092 . 1 . . . . . 18 Ile CA . 28046 2 98 . 1 . 1 18 18 ILE CB C 13 38.044 0.040 . 1 . . . . . 18 Ile CB . 28046 2 99 . 1 . 1 18 18 ILE CG1 C 13 27.626 0.059 . 1 . . . . . 18 Ile CG1 . 28046 2 100 . 1 . 1 18 18 ILE CG2 C 13 17.379 0.037 . 1 . . . . . 18 Ile CG2 . 28046 2 101 . 1 . 1 18 18 ILE CD1 C 13 12.403 0.027 . 1 . . . . . 18 Ile CD1 . 28046 2 102 . 1 . 1 18 18 ILE N N 15 125.451 0.027 . 1 . . . . . 18 Ile N . 28046 2 103 . 1 . 1 19 19 MET H H 1 8.250 0.004 . 1 . . . . . 19 Met H . 28046 2 104 . 1 . 1 19 19 MET HA H 1 5.022 0.004 . 1 . . . . . 19 Met HA . 28046 2 105 . 1 . 1 19 19 MET HB2 H 1 1.634 0.008 . 1 . . . . . 19 Met HB2 . 28046 2 106 . 1 . 1 19 19 MET HB3 H 1 1.634 0.008 . 1 . . . . . 19 Met HB3 . 28046 2 107 . 1 . 1 19 19 MET HG2 H 1 2.344 0.006 . 2 . . . . . 19 Met HG2 . 28046 2 108 . 1 . 1 19 19 MET HG3 H 1 2.497 0.005 . 2 . . . . . 19 Met HG3 . 28046 2 109 . 1 . 1 19 19 MET HE1 H 1 1.819 0.004 . 1 . . . . . 19 Met HE1 . 28046 2 110 . 1 . 1 19 19 MET HE2 H 1 1.819 0.004 . 1 . . . . . 19 Met HE2 . 28046 2 111 . 1 . 1 19 19 MET HE3 H 1 1.819 0.004 . 1 . . . . . 19 Met HE3 . 28046 2 112 . 1 . 1 19 19 MET CA C 13 52.697 0.070 . 1 . . . . . 19 Met CA . 28046 2 113 . 1 . 1 19 19 MET CB C 13 30.587 0.007 . 1 . . . . . 19 Met CB . 28046 2 114 . 1 . 1 19 19 MET CG C 13 30.584 0.005 . 1 . . . . . 19 Met CG . 28046 2 115 . 1 . 1 19 19 MET CE C 13 15.915 0.019 . 1 . . . . . 19 Met CE . 28046 2 116 . 1 . 1 19 19 MET N N 15 123.386 0.053 . 1 . . . . . 19 Met N . 28046 2 117 . 1 . 1 20 20 VAL H H 1 8.824 0.005 . 1 . . . . . 20 Val H . 28046 2 118 . 1 . 1 20 20 VAL HA H 1 4.521 0.005 . 1 . . . . . 20 Val HA . 28046 2 119 . 1 . 1 20 20 VAL HB H 1 1.702 0.007 . 1 . . . . . 20 Val HB . 28046 2 120 . 1 . 1 20 20 VAL HG11 H 1 0.621 0.006 . 2 . . . . . 20 Val HG11 . 28046 2 121 . 1 . 1 20 20 VAL HG12 H 1 0.621 0.006 . 2 . . . . . 20 Val HG12 . 28046 2 122 . 1 . 1 20 20 VAL HG13 H 1 0.621 0.006 . 2 . . . . . 20 Val HG13 . 28046 2 123 . 1 . 1 20 20 VAL HG21 H 1 0.723 0.004 . 2 . . . . . 20 Val HG21 . 28046 2 124 . 1 . 1 20 20 VAL HG22 H 1 0.723 0.004 . 2 . . . . . 20 Val HG22 . 28046 2 125 . 1 . 1 20 20 VAL HG23 H 1 0.723 0.004 . 2 . . . . . 20 Val HG23 . 28046 2 126 . 1 . 1 20 20 VAL CA C 13 59.161 0.066 . 1 . . . . . 20 Val CA . 28046 2 127 . 1 . 1 20 20 VAL CB C 13 34.960 0.049 . 1 . . . . . 20 Val CB . 28046 2 128 . 1 . 1 20 20 VAL CG1 C 13 20.406 0.042 . 2 . . . . . 20 Val CG1 . 28046 2 129 . 1 . 1 20 20 VAL CG2 C 13 22.327 0.057 . 2 . . . . . 20 Val CG2 . 28046 2 130 . 1 . 1 20 20 VAL N N 15 119.004 0.027 . 1 . . . . . 20 Val N . 28046 2 131 . 1 . 1 21 21 GLY H H 1 6.913 0.013 . 1 . . . . . 21 Gly H . 28046 2 132 . 1 . 1 21 21 GLY HA2 H 1 3.377 0.000 . 2 . . . . . 21 Gly HA2 . 28046 2 133 . 1 . 1 21 21 GLY HA3 H 1 3.965 0.008 . 2 . . . . . 21 Gly HA3 . 28046 2 134 . 1 . 1 21 21 GLY CA C 13 44.826 0.017 . 1 . . . . . 21 Gly CA . 28046 2 135 . 1 . 1 21 21 GLY N N 15 109.644 0.014 . 1 . . . . . 21 Gly N . 28046 2 136 . 1 . 1 22 22 SER H H 1 9.735 0.005 . 1 . . . . . 22 Ser H . 28046 2 137 . 1 . 1 22 22 SER HA H 1 4.478 0.003 . 1 . . . . . 22 Ser HA . 28046 2 138 . 1 . 1 22 22 SER HB2 H 1 3.930 0.011 . 2 . . . . . 22 Ser HB2 . 28046 2 139 . 1 . 1 22 22 SER HB3 H 1 3.978 0.008 . 2 . . . . . 22 Ser HB3 . 28046 2 140 . 1 . 1 22 22 SER CA C 13 59.833 0.098 . 1 . . . . . 22 Ser CA . 28046 2 141 . 1 . 1 22 22 SER CB C 13 63.737 0.043 . 1 . . . . . 22 Ser CB . 28046 2 142 . 1 . 1 22 22 SER N N 15 118.659 0.037 . 1 . . . . . 22 Ser N . 28046 2 143 . 1 . 1 23 23 GLY H H 1 8.545 0.001 . 1 . . . . . 23 Gly H . 28046 2 144 . 1 . 1 23 23 GLY HA2 H 1 3.684 0.006 . 2 . . . . . 23 Gly HA2 . 28046 2 145 . 1 . 1 23 23 GLY HA3 H 1 4.721 0.000 . 2 . . . . . 23 Gly HA3 . 28046 2 146 . 1 . 1 23 23 GLY CA C 13 46.643 0.072 . 1 . . . . . 23 Gly CA . 28046 2 147 . 1 . 1 23 23 GLY N N 15 107.014 0.021 . 1 . . . . . 23 Gly N . 28046 2 148 . 1 . 1 24 24 GLY H H 1 9.006 0.006 . 1 . . . . . 24 Gly H . 28046 2 149 . 1 . 1 24 24 GLY HA2 H 1 4.047 0.001 . 1 . . . . . 24 Gly HA2 . 28046 2 150 . 1 . 1 24 24 GLY HA3 H 1 4.047 0.001 . 1 . . . . . 24 Gly HA3 . 28046 2 151 . 1 . 1 24 24 GLY CA C 13 45.948 0.066 . 1 . . . . . 24 Gly CA . 28046 2 152 . 1 . 1 24 24 GLY N N 15 113.510 0.032 . 1 . . . . . 24 Gly N . 28046 2 153 . 1 . 1 25 25 VAL H H 1 7.230 0.004 . 1 . . . . . 25 Val H . 28046 2 154 . 1 . 1 25 25 VAL HA H 1 3.739 0.009 . 1 . . . . . 25 Val HA . 28046 2 155 . 1 . 1 25 25 VAL HB H 1 1.873 0.005 . 1 . . . . . 25 Val HB . 28046 2 156 . 1 . 1 25 25 VAL HG11 H 1 0.877 0.004 . 2 . . . . . 25 Val HG11 . 28046 2 157 . 1 . 1 25 25 VAL HG12 H 1 0.877 0.004 . 2 . . . . . 25 Val HG12 . 28046 2 158 . 1 . 1 25 25 VAL HG13 H 1 0.877 0.004 . 2 . . . . . 25 Val HG13 . 28046 2 159 . 1 . 1 25 25 VAL HG21 H 1 1.005 0.003 . 2 . . . . . 25 Val HG21 . 28046 2 160 . 1 . 1 25 25 VAL HG22 H 1 1.005 0.003 . 2 . . . . . 25 Val HG22 . 28046 2 161 . 1 . 1 25 25 VAL HG23 H 1 1.005 0.003 . 2 . . . . . 25 Val HG23 . 28046 2 162 . 1 . 1 25 25 VAL CA C 13 62.831 0.107 . 1 . . . . . 25 Val CA . 28046 2 163 . 1 . 1 25 25 VAL CB C 13 31.651 0.036 . 1 . . . . . 25 Val CB . 28046 2 164 . 1 . 1 25 25 VAL CG1 C 13 17.328 0.060 . 2 . . . . . 25 Val CG1 . 28046 2 165 . 1 . 1 25 25 VAL CG2 C 13 22.375 0.031 . 2 . . . . . 25 Val CG2 . 28046 2 166 . 1 . 1 25 25 VAL N N 15 111.528 0.035 . 1 . . . . . 25 Val N . 28046 2 167 . 1 . 1 26 26 GLY H H 1 8.230 0.005 . 1 . . . . . 26 Gly H . 28046 2 168 . 1 . 1 26 26 GLY HA2 H 1 4.309 0.002 . 2 . . . . . 26 Gly HA2 . 28046 2 169 . 1 . 1 26 26 GLY HA3 H 1 4.533 0.000 . 2 . . . . . 26 Gly HA3 . 28046 2 170 . 1 . 1 26 26 GLY CA C 13 45.424 0.023 . 1 . . . . . 26 Gly CA . 28046 2 171 . 1 . 1 26 26 GLY N N 15 106.737 0.036 . 1 . . . . . 26 Gly N . 28046 2 172 . 1 . 1 27 27 LYS H H 1 9.047 0.006 . 1 . . . . . 27 Lys H . 28046 2 173 . 1 . 1 27 27 LYS HA H 1 3.555 0.014 . 1 . . . . . 27 Lys HA . 28046 2 174 . 1 . 1 27 27 LYS HB2 H 1 1.589 0.016 . 2 . . . . . 27 Lys HB2 . 28046 2 175 . 1 . 1 27 27 LYS HB3 H 1 2.359 0.016 . 2 . . . . . 27 Lys HB3 . 28046 2 176 . 1 . 1 27 27 LYS HG2 H 1 0.894 0.000 . 2 . . . . . 27 Lys HG2 . 28046 2 177 . 1 . 1 27 27 LYS HG3 H 1 1.289 0.000 . 2 . . . . . 27 Lys HG3 . 28046 2 178 . 1 . 1 27 27 LYS CA C 13 60.786 0.044 . 1 . . . . . 27 Lys CA . 28046 2 179 . 1 . 1 27 27 LYS CB C 13 29.696 0.026 . 1 . . . . . 27 Lys CB . 28046 2 180 . 1 . 1 27 27 LYS N N 15 123.263 0.069 . 1 . . . . . 27 Lys N . 28046 2 181 . 1 . 1 28 28 SER H H 1 9.527 0.002 . 1 . . . . . 28 Ser H . 28046 2 182 . 1 . 1 28 28 SER HA H 1 4.280 0.017 . 1 . . . . . 28 Ser HA . 28046 2 183 . 1 . 1 28 28 SER HB2 H 1 3.639 0.000 . 1 . . . . . 28 Ser HB2 . 28046 2 184 . 1 . 1 28 28 SER CA C 13 61.306 0.028 . 1 . . . . . 28 Ser CA . 28046 2 185 . 1 . 1 28 28 SER N N 15 120.101 0.028 . 1 . . . . . 28 Ser N . 28046 2 186 . 1 . 1 29 29 ALA H H 1 9.309 0.006 . 1 . . . . . 29 Ala H . 28046 2 187 . 1 . 1 29 29 ALA HA H 1 4.013 0.014 . 1 . . . . . 29 Ala HA . 28046 2 188 . 1 . 1 29 29 ALA HB1 H 1 1.370 0.008 . 1 . . . . . 29 Ala HB1 . 28046 2 189 . 1 . 1 29 29 ALA HB2 H 1 1.370 0.008 . 1 . . . . . 29 Ala HB2 . 28046 2 190 . 1 . 1 29 29 ALA HB3 H 1 1.370 0.008 . 1 . . . . . 29 Ala HB3 . 28046 2 191 . 1 . 1 29 29 ALA CA C 13 54.380 0.031 . 1 . . . . . 29 Ala CA . 28046 2 192 . 1 . 1 29 29 ALA CB C 13 18.588 0.056 . 1 . . . . . 29 Ala CB . 28046 2 193 . 1 . 1 29 29 ALA N N 15 125.671 0.002 . 1 . . . . . 29 Ala N . 28046 2 194 . 1 . 1 30 30 LEU H H 1 8.701 0.004 . 1 . . . . . 30 Leu H . 28046 2 195 . 1 . 1 30 30 LEU HA H 1 3.852 0.006 . 1 . . . . . 30 Leu HA . 28046 2 196 . 1 . 1 30 30 LEU HB2 H 1 1.119 0.006 . 2 . . . . . 30 Leu HB2 . 28046 2 197 . 1 . 1 30 30 LEU HB3 H 1 2.075 0.009 . 2 . . . . . 30 Leu HB3 . 28046 2 198 . 1 . 1 30 30 LEU HG H 1 1.810 0.010 . 1 . . . . . 30 Leu HG . 28046 2 199 . 1 . 1 30 30 LEU HD11 H 1 0.540 0.007 . 2 . . . . . 30 Leu HD11 . 28046 2 200 . 1 . 1 30 30 LEU HD12 H 1 0.540 0.007 . 2 . . . . . 30 Leu HD12 . 28046 2 201 . 1 . 1 30 30 LEU HD13 H 1 0.540 0.007 . 2 . . . . . 30 Leu HD13 . 28046 2 202 . 1 . 1 30 30 LEU HD21 H 1 0.737 0.007 . 2 . . . . . 30 Leu HD21 . 28046 2 203 . 1 . 1 30 30 LEU HD22 H 1 0.737 0.007 . 2 . . . . . 30 Leu HD22 . 28046 2 204 . 1 . 1 30 30 LEU HD23 H 1 0.737 0.007 . 2 . . . . . 30 Leu HD23 . 28046 2 205 . 1 . 1 30 30 LEU CA C 13 58.540 0.057 . 1 . . . . . 30 Leu CA . 28046 2 206 . 1 . 1 30 30 LEU CB C 13 43.182 0.073 . 1 . . . . . 30 Leu CB . 28046 2 207 . 1 . 1 30 30 LEU CG C 13 27.351 0.040 . 1 . . . . . 30 Leu CG . 28046 2 208 . 1 . 1 30 30 LEU CD1 C 13 26.235 0.027 . 2 . . . . . 30 Leu CD1 . 28046 2 209 . 1 . 1 30 30 LEU CD2 C 13 24.025 0.045 . 2 . . . . . 30 Leu CD2 . 28046 2 210 . 1 . 1 30 30 LEU N N 15 119.347 0.032 . 1 . . . . . 30 Leu N . 28046 2 211 . 1 . 1 31 31 THR H H 1 7.508 0.007 . 1 . . . . . 31 Thr H . 28046 2 212 . 1 . 1 31 31 THR HA H 1 3.327 0.006 . 1 . . . . . 31 Thr HA . 28046 2 213 . 1 . 1 31 31 THR HB H 1 4.093 0.007 . 1 . . . . . 31 Thr HB . 28046 2 214 . 1 . 1 31 31 THR HG1 H 1 4.205 0.006 . 1 . . . . . 31 Thr HG1 . 28046 2 215 . 1 . 1 31 31 THR HG21 H 1 0.403 0.008 . 1 . . . . . 31 Thr HG21 . 28046 2 216 . 1 . 1 31 31 THR HG22 H 1 0.403 0.008 . 1 . . . . . 31 Thr HG22 . 28046 2 217 . 1 . 1 31 31 THR HG23 H 1 0.403 0.008 . 1 . . . . . 31 Thr HG23 . 28046 2 218 . 1 . 1 31 31 THR CA C 13 68.184 0.093 . 1 . . . . . 31 Thr CA . 28046 2 219 . 1 . 1 31 31 THR CB C 13 67.936 0.060 . 1 . . . . . 31 Thr CB . 28046 2 220 . 1 . 1 31 31 THR CG2 C 13 21.447 0.032 . 1 . . . . . 31 Thr CG2 . 28046 2 221 . 1 . 1 31 31 THR N N 15 116.479 0.053 . 1 . . . . . 31 Thr N . 28046 2 222 . 1 . 1 32 32 LEU H H 1 8.913 0.009 . 1 . . . . . 32 Leu H . 28046 2 223 . 1 . 1 32 32 LEU HA H 1 3.618 0.005 . 1 . . . . . 32 Leu HA . 28046 2 224 . 1 . 1 32 32 LEU HB2 H 1 1.386 0.007 . 2 . . . . . 32 Leu HB2 . 28046 2 225 . 1 . 1 32 32 LEU HB3 H 1 1.852 0.006 . 2 . . . . . 32 Leu HB3 . 28046 2 226 . 1 . 1 32 32 LEU HG H 1 1.576 0.012 . 1 . . . . . 32 Leu HG . 28046 2 227 . 1 . 1 32 32 LEU HD11 H 1 0.622 0.013 . 2 . . . . . 32 Leu HD11 . 28046 2 228 . 1 . 1 32 32 LEU HD12 H 1 0.622 0.013 . 2 . . . . . 32 Leu HD12 . 28046 2 229 . 1 . 1 32 32 LEU HD13 H 1 0.622 0.013 . 2 . . . . . 32 Leu HD13 . 28046 2 230 . 1 . 1 32 32 LEU HD21 H 1 0.703 0.009 . 2 . . . . . 32 Leu HD21 . 28046 2 231 . 1 . 1 32 32 LEU HD22 H 1 0.703 0.009 . 2 . . . . . 32 Leu HD22 . 28046 2 232 . 1 . 1 32 32 LEU HD23 H 1 0.703 0.009 . 2 . . . . . 32 Leu HD23 . 28046 2 233 . 1 . 1 32 32 LEU CA C 13 58.106 0.039 . 1 . . . . . 32 Leu CA . 28046 2 234 . 1 . 1 32 32 LEU CB C 13 40.577 0.027 . 1 . . . . . 32 Leu CB . 28046 2 235 . 1 . 1 32 32 LEU CG C 13 27.145 0.026 . 1 . . . . . 32 Leu CG . 28046 2 236 . 1 . 1 32 32 LEU CD1 C 13 24.921 0.071 . 2 . . . . . 32 Leu CD1 . 28046 2 237 . 1 . 1 32 32 LEU CD2 C 13 22.195 0.018 . 2 . . . . . 32 Leu CD2 . 28046 2 238 . 1 . 1 32 32 LEU N N 15 120.283 0.055 . 1 . . . . . 32 Leu N . 28046 2 239 . 1 . 1 33 33 GLN H H 1 7.846 0.007 . 1 . . . . . 33 Gln H . 28046 2 240 . 1 . 1 33 33 GLN HA H 1 4.388 0.006 . 1 . . . . . 33 Gln HA . 28046 2 241 . 1 . 1 33 33 GLN HB2 H 1 2.020 0.012 . 2 . . . . . 33 Gln HB2 . 28046 2 242 . 1 . 1 33 33 GLN HB3 H 1 2.302 0.007 . 2 . . . . . 33 Gln HB3 . 28046 2 243 . 1 . 1 33 33 GLN HG2 H 1 2.535 0.012 . 2 . . . . . 33 Gln HG2 . 28046 2 244 . 1 . 1 33 33 GLN HG3 H 1 2.309 0.011 . 2 . . . . . 33 Gln HG3 . 28046 2 245 . 1 . 1 33 33 GLN HE21 H 1 6.487 0.004 . 1 . . . . . 33 Gln HE21 . 28046 2 246 . 1 . 1 33 33 GLN HE22 H 1 7.703 0.006 . 1 . . . . . 33 Gln HE22 . 28046 2 247 . 1 . 1 33 33 GLN CA C 13 58.236 0.098 . 1 . . . . . 33 Gln CA . 28046 2 248 . 1 . 1 33 33 GLN CB C 13 30.120 0.083 . 1 . . . . . 33 Gln CB . 28046 2 249 . 1 . 1 33 33 GLN CG C 13 30.826 0.020 . 1 . . . . . 33 Gln CG . 28046 2 250 . 1 . 1 33 33 GLN N N 15 120.249 0.030 . 1 . . . . . 33 Gln N . 28046 2 251 . 1 . 1 33 33 GLN NE2 N 15 107.430 0.038 . 1 . . . . . 33 Gln NE2 . 28046 2 252 . 1 . 1 34 34 PHE H H 1 7.940 0.008 . 1 . . . . . 34 Phe H . 28046 2 253 . 1 . 1 34 34 PHE HA H 1 3.763 0.006 . 1 . . . . . 34 Phe HA . 28046 2 254 . 1 . 1 34 34 PHE HB2 H 1 2.168 0.010 . 2 . . . . . 34 Phe HB2 . 28046 2 255 . 1 . 1 34 34 PHE HB3 H 1 2.550 0.007 . 2 . . . . . 34 Phe HB3 . 28046 2 256 . 1 . 1 34 34 PHE HD1 H 1 6.464 0.010 . 1 . . . . . 34 Phe HD1 . 28046 2 257 . 1 . 1 34 34 PHE HD2 H 1 6.464 0.010 . 1 . . . . . 34 Phe HD2 . 28046 2 258 . 1 . 1 34 34 PHE HE1 H 1 6.885 0.004 . 1 . . . . . 34 Phe HE1 . 28046 2 259 . 1 . 1 34 34 PHE HE2 H 1 6.885 0.004 . 1 . . . . . 34 Phe HE2 . 28046 2 260 . 1 . 1 34 34 PHE HZ H 1 6.616 0.004 . 1 . . . . . 34 Phe HZ . 28046 2 261 . 1 . 1 34 34 PHE CA C 13 61.162 0.080 . 1 . . . . . 34 Phe CA . 28046 2 262 . 1 . 1 34 34 PHE CB C 13 39.540 0.053 . 1 . . . . . 34 Phe CB . 28046 2 263 . 1 . 1 34 34 PHE CD1 C 13 131.423 0.041 . 1 . . . . . 34 Phe CD1 . 28046 2 264 . 1 . 1 34 34 PHE CD2 C 13 131.423 0.041 . 1 . . . . . 34 Phe CD2 . 28046 2 265 . 1 . 1 34 34 PHE CE1 C 13 130.218 0.048 . 1 . . . . . 34 Phe CE1 . 28046 2 266 . 1 . 1 34 34 PHE CE2 C 13 130.218 0.048 . 1 . . . . . 34 Phe CE2 . 28046 2 267 . 1 . 1 34 34 PHE CZ C 13 127.325 0.067 . 1 . . . . . 34 Phe CZ . 28046 2 268 . 1 . 1 34 34 PHE N N 15 119.468 0.048 . 1 . . . . . 34 Phe N . 28046 2 269 . 1 . 1 35 35 MET H H 1 8.457 0.005 . 1 . . . . . 35 Met H . 28046 2 270 . 1 . 1 35 35 MET HA H 1 3.533 0.008 . 1 . . . . . 35 Met HA . 28046 2 271 . 1 . 1 35 35 MET HB2 H 1 1.129 0.015 . 2 . . . . . 35 Met HB2 . 28046 2 272 . 1 . 1 35 35 MET HB3 H 1 0.149 0.008 . 2 . . . . . 35 Met HB3 . 28046 2 273 . 1 . 1 35 35 MET HG2 H 1 1.929 0.007 . 2 . . . . . 35 Met HG2 . 28046 2 274 . 1 . 1 35 35 MET HG3 H 1 1.746 0.007 . 2 . . . . . 35 Met HG3 . 28046 2 275 . 1 . 1 35 35 MET HE1 H 1 1.691 0.003 . 1 . . . . . 35 Met HE1 . 28046 2 276 . 1 . 1 35 35 MET HE2 H 1 1.691 0.003 . 1 . . . . . 35 Met HE2 . 28046 2 277 . 1 . 1 35 35 MET HE3 H 1 1.691 0.003 . 1 . . . . . 35 Met HE3 . 28046 2 278 . 1 . 1 35 35 MET CA C 13 55.762 0.051 . 1 . . . . . 35 Met CA . 28046 2 279 . 1 . 1 35 35 MET CB C 13 30.031 0.040 . 1 . . . . . 35 Met CB . 28046 2 280 . 1 . 1 35 35 MET CG C 13 31.630 0.025 . 1 . . . . . 35 Met CG . 28046 2 281 . 1 . 1 35 35 MET CE C 13 15.324 0.028 . 1 . . . . . 35 Met CE . 28046 2 282 . 1 . 1 35 35 MET N N 15 114.158 0.047 . 1 . . . . . 35 Met N . 28046 2 283 . 1 . 1 36 36 TYR H H 1 7.846 0.005 . 1 . . . . . 36 Tyr H . 28046 2 284 . 1 . 1 36 36 TYR HA H 1 4.887 0.006 . 1 . . . . . 36 Tyr HA . 28046 2 285 . 1 . 1 36 36 TYR HB2 H 1 2.545 0.006 . 2 . . . . . 36 Tyr HB2 . 28046 2 286 . 1 . 1 36 36 TYR HB3 H 1 3.359 0.008 . 2 . . . . . 36 Tyr HB3 . 28046 2 287 . 1 . 1 36 36 TYR HD1 H 1 7.012 0.006 . 1 . . . . . 36 Tyr HD1 . 28046 2 288 . 1 . 1 36 36 TYR HD2 H 1 7.012 0.006 . 1 . . . . . 36 Tyr HD2 . 28046 2 289 . 1 . 1 36 36 TYR HE1 H 1 6.707 0.006 . 1 . . . . . 36 Tyr HE1 . 28046 2 290 . 1 . 1 36 36 TYR HE2 H 1 6.707 0.006 . 1 . . . . . 36 Tyr HE2 . 28046 2 291 . 1 . 1 36 36 TYR CA C 13 56.064 0.061 . 1 . . . . . 36 Tyr CA . 28046 2 292 . 1 . 1 36 36 TYR CB C 13 40.122 0.057 . 1 . . . . . 36 Tyr CB . 28046 2 293 . 1 . 1 36 36 TYR CD1 C 13 133.217 0.098 . 1 . . . . . 36 Tyr CD1 . 28046 2 294 . 1 . 1 36 36 TYR CD2 C 13 133.217 0.098 . 1 . . . . . 36 Tyr CD2 . 28046 2 295 . 1 . 1 36 36 TYR CE1 C 13 117.693 0.042 . 1 . . . . . 36 Tyr CE1 . 28046 2 296 . 1 . 1 36 36 TYR CE2 C 13 117.693 0.042 . 1 . . . . . 36 Tyr CE2 . 28046 2 297 . 1 . 1 36 36 TYR N N 15 115.152 0.039 . 1 . . . . . 36 Tyr N . 28046 2 298 . 1 . 1 37 37 ASP H H 1 8.157 0.004 . 1 . . . . . 37 Asp H . 28046 2 299 . 1 . 1 37 37 ASP HA H 1 4.688 0.004 . 1 . . . . . 37 Asp HA . 28046 2 300 . 1 . 1 37 37 ASP HB2 H 1 2.766 0.018 . 2 . . . . . 37 Asp HB2 . 28046 2 301 . 1 . 1 37 37 ASP HB3 H 1 2.832 0.010 . 2 . . . . . 37 Asp HB3 . 28046 2 302 . 1 . 1 37 37 ASP CA C 13 55.126 0.067 . 1 . . . . . 37 Asp CA . 28046 2 303 . 1 . 1 37 37 ASP CB C 13 38.993 0.047 . 1 . . . . . 37 Asp CB . 28046 2 304 . 1 . 1 37 37 ASP N N 15 117.831 0.030 . 1 . . . . . 37 Asp N . 28046 2 305 . 1 . 1 38 38 GLU H H 1 6.789 0.012 . 1 . . . . . 38 Glu H . 28046 2 306 . 1 . 1 38 38 GLU HA H 1 4.521 0.003 . 1 . . . . . 38 Glu HA . 28046 2 307 . 1 . 1 38 38 GLU HB2 H 1 1.493 0.006 . 2 . . . . . 38 Glu HB2 . 28046 2 308 . 1 . 1 38 38 GLU HB3 H 1 1.693 0.006 . 2 . . . . . 38 Glu HB3 . 28046 2 309 . 1 . 1 38 38 GLU HG2 H 1 1.940 0.010 . 2 . . . . . 38 Glu HG2 . 28046 2 310 . 1 . 1 38 38 GLU HG3 H 1 2.004 0.008 . 2 . . . . . 38 Glu HG3 . 28046 2 311 . 1 . 1 38 38 GLU CA C 13 54.293 0.064 . 1 . . . . . 38 Glu CA . 28046 2 312 . 1 . 1 38 38 GLU CB C 13 33.488 0.077 . 1 . . . . . 38 Glu CB . 28046 2 313 . 1 . 1 38 38 GLU CG C 13 35.190 0.035 . 1 . . . . . 38 Glu CG . 28046 2 314 . 1 . 1 38 38 GLU N N 15 114.859 0.035 . 1 . . . . . 38 Glu N . 28046 2 315 . 1 . 1 39 39 PHE H H 1 8.427 0.008 . 1 . . . . . 39 Phe H . 28046 2 316 . 1 . 1 39 39 PHE HA H 1 4.802 0.006 . 1 . . . . . 39 Phe HA . 28046 2 317 . 1 . 1 39 39 PHE HB2 H 1 2.733 0.003 . 2 . . . . . 39 Phe HB2 . 28046 2 318 . 1 . 1 39 39 PHE HB3 H 1 2.910 0.002 . 2 . . . . . 39 Phe HB3 . 28046 2 319 . 1 . 1 39 39 PHE HD1 H 1 6.953 0.005 . 1 . . . . . 39 Phe HD1 . 28046 2 320 . 1 . 1 39 39 PHE HD2 H 1 6.953 0.005 . 1 . . . . . 39 Phe HD2 . 28046 2 321 . 1 . 1 39 39 PHE HE1 H 1 6.404 0.008 . 1 . . . . . 39 Phe HE1 . 28046 2 322 . 1 . 1 39 39 PHE HE2 H 1 6.404 0.008 . 1 . . . . . 39 Phe HE2 . 28046 2 323 . 1 . 1 39 39 PHE HZ H 1 6.589 0.004 . 1 . . . . . 39 Phe HZ . 28046 2 324 . 1 . 1 39 39 PHE CA C 13 55.987 0.082 . 1 . . . . . 39 Phe CA . 28046 2 325 . 1 . 1 39 39 PHE CB C 13 40.107 0.073 . 1 . . . . . 39 Phe CB . 28046 2 326 . 1 . 1 39 39 PHE CD1 C 13 131.704 0.083 . 1 . . . . . 39 Phe CD1 . 28046 2 327 . 1 . 1 39 39 PHE CD2 C 13 131.704 0.083 . 1 . . . . . 39 Phe CD2 . 28046 2 328 . 1 . 1 39 39 PHE CE1 C 13 129.657 0.072 . 1 . . . . . 39 Phe CE1 . 28046 2 329 . 1 . 1 39 39 PHE CE2 C 13 129.657 0.072 . 1 . . . . . 39 Phe CE2 . 28046 2 330 . 1 . 1 39 39 PHE CZ C 13 129.579 0.015 . 1 . . . . . 39 Phe CZ . 28046 2 331 . 1 . 1 39 39 PHE N N 15 121.898 0.051 . 1 . . . . . 39 Phe N . 28046 2 332 . 1 . 1 40 40 VAL H H 1 7.771 0.004 . 1 . . . . . 40 Val H . 28046 2 333 . 1 . 1 40 40 VAL HA H 1 3.771 0.004 . 1 . . . . . 40 Val HA . 28046 2 334 . 1 . 1 40 40 VAL HB H 1 1.658 0.005 . 1 . . . . . 40 Val HB . 28046 2 335 . 1 . 1 40 40 VAL HG11 H 1 0.639 0.005 . 2 . . . . . 40 Val HG11 . 28046 2 336 . 1 . 1 40 40 VAL HG12 H 1 0.639 0.005 . 2 . . . . . 40 Val HG12 . 28046 2 337 . 1 . 1 40 40 VAL HG13 H 1 0.639 0.005 . 2 . . . . . 40 Val HG13 . 28046 2 338 . 1 . 1 40 40 VAL HG21 H 1 0.650 0.007 . 2 . . . . . 40 Val HG21 . 28046 2 339 . 1 . 1 40 40 VAL HG22 H 1 0.650 0.007 . 2 . . . . . 40 Val HG22 . 28046 2 340 . 1 . 1 40 40 VAL HG23 H 1 0.650 0.007 . 2 . . . . . 40 Val HG23 . 28046 2 341 . 1 . 1 40 40 VAL CA C 13 60.794 0.046 . 1 . . . . . 40 Val CA . 28046 2 342 . 1 . 1 40 40 VAL CB C 13 32.668 0.039 . 1 . . . . . 40 Val CB . 28046 2 343 . 1 . 1 40 40 VAL CG1 C 13 20.101 0.036 . 2 . . . . . 40 Val CG1 . 28046 2 344 . 1 . 1 40 40 VAL CG2 C 13 20.600 0.064 . 2 . . . . . 40 Val CG2 . 28046 2 345 . 1 . 1 40 40 VAL N N 15 127.989 0.031 . 1 . . . . . 40 Val N . 28046 2 346 . 1 . 1 41 41 GLU H H 1 7.900 0.006 . 1 . . . . . 41 Glu H . 28046 2 347 . 1 . 1 41 41 GLU HA H 1 3.670 0.003 . 1 . . . . . 41 Glu HA . 28046 2 348 . 1 . 1 41 41 GLU HB2 H 1 1.664 0.003 . 2 . . . . . 41 Glu HB2 . 28046 2 349 . 1 . 1 41 41 GLU HB3 H 1 1.835 0.003 . 2 . . . . . 41 Glu HB3 . 28046 2 350 . 1 . 1 41 41 GLU HG2 H 1 2.015 0.009 . 2 . . . . . 41 Glu HG2 . 28046 2 351 . 1 . 1 41 41 GLU HG3 H 1 2.032 0.005 . 2 . . . . . 41 Glu HG3 . 28046 2 352 . 1 . 1 41 41 GLU CA C 13 57.082 0.043 . 1 . . . . . 41 Glu CA . 28046 2 353 . 1 . 1 41 41 GLU CB C 13 30.504 0.080 . 1 . . . . . 41 Glu CB . 28046 2 354 . 1 . 1 41 41 GLU CG C 13 36.613 0.007 . 1 . . . . . 41 Glu CG . 28046 2 355 . 1 . 1 41 41 GLU N N 15 124.129 0.038 . 1 . . . . . 41 Glu N . 28046 2 356 . 1 . 1 42 42 ASP H H 1 7.749 0.002 . 1 . . . . . 42 Asp H . 28046 2 357 . 1 . 1 42 42 ASP HA H 1 4.464 0.008 . 1 . . . . . 42 Asp HA . 28046 2 358 . 1 . 1 42 42 ASP HB2 H 1 2.446 0.005 . 2 . . . . . 42 Asp HB2 . 28046 2 359 . 1 . 1 42 42 ASP HB3 H 1 2.541 0.004 . 2 . . . . . 42 Asp HB3 . 28046 2 360 . 1 . 1 42 42 ASP CA C 13 53.940 0.051 . 1 . . . . . 42 Asp CA . 28046 2 361 . 1 . 1 42 42 ASP CB C 13 40.879 0.016 . 1 . . . . . 42 Asp CB . 28046 2 362 . 1 . 1 42 42 ASP N N 15 118.928 0.047 . 1 . . . . . 42 Asp N . 28046 2 363 . 1 . 1 50 50 SER H H 1 7.848 0.008 . 1 . . . . . 50 Ser H . 28046 2 364 . 1 . 1 50 50 SER HA H 1 5.202 0.006 . 1 . . . . . 50 Ser HA . 28046 2 365 . 1 . 1 50 50 SER HB2 H 1 3.556 0.004 . 1 . . . . . 50 Ser HB2 . 28046 2 366 . 1 . 1 50 50 SER HB3 H 1 3.556 0.004 . 1 . . . . . 50 Ser HB3 . 28046 2 367 . 1 . 1 50 50 SER CA C 13 56.913 0.046 . 1 . . . . . 50 Ser CA . 28046 2 368 . 1 . 1 50 50 SER CB C 13 64.965 0.031 . 1 . . . . . 50 Ser CB . 28046 2 369 . 1 . 1 50 50 SER N N 15 113.728 0.049 . 1 . . . . . 50 Ser N . 28046 2 370 . 1 . 1 51 51 TYR H H 1 8.859 0.010 . 1 . . . . . 51 Tyr H . 28046 2 371 . 1 . 1 51 51 TYR HA H 1 4.536 0.006 . 1 . . . . . 51 Tyr HA . 28046 2 372 . 1 . 1 51 51 TYR HB2 H 1 2.576 0.014 . 2 . . . . . 51 Tyr HB2 . 28046 2 373 . 1 . 1 51 51 TYR HB3 H 1 3.008 0.007 . 2 . . . . . 51 Tyr HB3 . 28046 2 374 . 1 . 1 51 51 TYR HD1 H 1 7.001 0.008 . 1 . . . . . 51 Tyr HD1 . 28046 2 375 . 1 . 1 51 51 TYR HD2 H 1 7.001 0.008 . 1 . . . . . 51 Tyr HD2 . 28046 2 376 . 1 . 1 51 51 TYR HE1 H 1 6.783 0.010 . 1 . . . . . 51 Tyr HE1 . 28046 2 377 . 1 . 1 51 51 TYR HE2 H 1 6.783 0.010 . 1 . . . . . 51 Tyr HE2 . 28046 2 378 . 1 . 1 51 51 TYR CA C 13 56.856 0.030 . 1 . . . . . 51 Tyr CA . 28046 2 379 . 1 . 1 51 51 TYR CB C 13 41.911 0.055 . 1 . . . . . 51 Tyr CB . 28046 2 380 . 1 . 1 51 51 TYR CD1 C 13 133.267 0.053 . 1 . . . . . 51 Tyr CD1 . 28046 2 381 . 1 . 1 51 51 TYR CD2 C 13 133.267 0.053 . 1 . . . . . 51 Tyr CD2 . 28046 2 382 . 1 . 1 51 51 TYR CE1 C 13 117.596 0.078 . 1 . . . . . 51 Tyr CE1 . 28046 2 383 . 1 . 1 51 51 TYR CE2 C 13 117.596 0.078 . 1 . . . . . 51 Tyr CE2 . 28046 2 384 . 1 . 1 51 51 TYR N N 15 122.304 0.047 . 1 . . . . . 51 Tyr N . 28046 2 385 . 1 . 1 52 52 ARG H H 1 8.435 0.006 . 1 . . . . . 52 Arg H . 28046 2 386 . 1 . 1 52 52 ARG HA H 1 5.691 0.007 . 1 . . . . . 52 Arg HA . 28046 2 387 . 1 . 1 52 52 ARG HB2 H 1 1.569 0.006 . 2 . . . . . 52 Arg HB2 . 28046 2 388 . 1 . 1 52 52 ARG HB3 H 1 1.734 0.005 . 2 . . . . . 52 Arg HB3 . 28046 2 389 . 1 . 1 52 52 ARG HG2 H 1 1.399 0.013 . 2 . . . . . 52 Arg HG2 . 28046 2 390 . 1 . 1 52 52 ARG HG3 H 1 1.453 0.011 . 2 . . . . . 52 Arg HG3 . 28046 2 391 . 1 . 1 52 52 ARG HD2 H 1 2.929 0.009 . 2 . . . . . 52 Arg HD2 . 28046 2 392 . 1 . 1 52 52 ARG HD3 H 1 2.908 0.010 . 2 . . . . . 52 Arg HD3 . 28046 2 393 . 1 . 1 52 52 ARG CA C 13 54.226 0.047 . 1 . . . . . 52 Arg CA . 28046 2 394 . 1 . 1 52 52 ARG CB C 13 33.703 0.074 . 1 . . . . . 52 Arg CB . 28046 2 395 . 1 . 1 52 52 ARG CG C 13 26.410 0.027 . 1 . . . . . 52 Arg CG . 28046 2 396 . 1 . 1 52 52 ARG CD C 13 42.831 0.011 . 1 . . . . . 52 Arg CD . 28046 2 397 . 1 . 1 52 52 ARG N N 15 121.100 0.047 . 1 . . . . . 52 Arg N . 28046 2 398 . 1 . 1 53 53 LYS H H 1 8.590 0.009 . 1 . . . . . 53 Lys H . 28046 2 399 . 1 . 1 53 53 LYS HA H 1 4.529 0.006 . 1 . . . . . 53 Lys HA . 28046 2 400 . 1 . 1 53 53 LYS HB2 H 1 1.547 0.006 . 2 . . . . . 53 Lys HB2 . 28046 2 401 . 1 . 1 53 53 LYS HB3 H 1 1.636 0.019 . 2 . . . . . 53 Lys HB3 . 28046 2 402 . 1 . 1 53 53 LYS HG2 H 1 1.146 0.007 . 2 . . . . . 53 Lys HG2 . 28046 2 403 . 1 . 1 53 53 LYS HG3 H 1 1.153 0.010 . 2 . . . . . 53 Lys HG3 . 28046 2 404 . 1 . 1 53 53 LYS HD2 H 1 0.997 0.008 . 2 . . . . . 53 Lys HD2 . 28046 2 405 . 1 . 1 53 53 LYS HD3 H 1 1.286 0.009 . 2 . . . . . 53 Lys HD3 . 28046 2 406 . 1 . 1 53 53 LYS HE2 H 1 2.411 0.005 . 2 . . . . . 53 Lys HE2 . 28046 2 407 . 1 . 1 53 53 LYS HE3 H 1 2.585 0.005 . 2 . . . . . 53 Lys HE3 . 28046 2 408 . 1 . 1 53 53 LYS CA C 13 55.069 0.058 . 1 . . . . . 53 Lys CA . 28046 2 409 . 1 . 1 53 53 LYS CB C 13 37.444 0.073 . 1 . . . . . 53 Lys CB . 28046 2 410 . 1 . 1 53 53 LYS CG C 13 24.451 0.057 . 1 . . . . . 53 Lys CG . 28046 2 411 . 1 . 1 53 53 LYS CD C 13 30.257 0.028 . 1 . . . . . 53 Lys CD . 28046 2 412 . 1 . 1 53 53 LYS CE C 13 41.820 0.034 . 1 . . . . . 53 Lys CE . 28046 2 413 . 1 . 1 53 53 LYS N N 15 124.142 0.056 . 1 . . . . . 53 Lys N . 28046 2 414 . 1 . 1 54 54 LYS H H 1 8.349 0.004 . 1 . . . . . 54 Lys H . 28046 2 415 . 1 . 1 54 54 LYS HA H 1 4.993 0.007 . 1 . . . . . 54 Lys HA . 28046 2 416 . 1 . 1 54 54 LYS HB2 H 1 1.571 0.015 . 2 . . . . . 54 Lys HB2 . 28046 2 417 . 1 . 1 54 54 LYS HB3 H 1 1.654 0.007 . 2 . . . . . 54 Lys HB3 . 28046 2 418 . 1 . 1 54 54 LYS HG2 H 1 1.117 0.007 . 2 . . . . . 54 Lys HG2 . 28046 2 419 . 1 . 1 54 54 LYS HG3 H 1 1.341 0.005 . 2 . . . . . 54 Lys HG3 . 28046 2 420 . 1 . 1 54 54 LYS HD2 H 1 1.494 0.007 . 1 . . . . . 54 Lys HD2 . 28046 2 421 . 1 . 1 54 54 LYS HD3 H 1 1.494 0.007 . 1 . . . . . 54 Lys HD3 . 28046 2 422 . 1 . 1 54 54 LYS HE2 H 1 2.748 0.006 . 2 . . . . . 54 Lys HE2 . 28046 2 423 . 1 . 1 54 54 LYS HE3 H 1 2.748 0.006 . 2 . . . . . 54 Lys HE3 . 28046 2 424 . 1 . 1 54 54 LYS CA C 13 55.618 0.056 . 1 . . . . . 54 Lys CA . 28046 2 425 . 1 . 1 54 54 LYS CB C 13 32.820 0.063 . 1 . . . . . 54 Lys CB . 28046 2 426 . 1 . 1 54 54 LYS CG C 13 24.927 0.042 . 1 . . . . . 54 Lys CG . 28046 2 427 . 1 . 1 54 54 LYS CD C 13 29.044 0.034 . 1 . . . . . 54 Lys CD . 28046 2 428 . 1 . 1 54 54 LYS CE C 13 41.537 0.026 . 1 . . . . . 54 Lys CE . 28046 2 429 . 1 . 1 54 54 LYS N N 15 124.052 0.039 . 1 . . . . . 54 Lys N . 28046 2 430 . 1 . 1 55 55 VAL H H 1 8.941 0.007 . 1 . . . . . 55 Val H . 28046 2 431 . 1 . 1 55 55 VAL HA H 1 4.581 0.003 . 1 . . . . . 55 Val HA . 28046 2 432 . 1 . 1 55 55 VAL HB H 1 2.095 0.007 . 1 . . . . . 55 Val HB . 28046 2 433 . 1 . 1 55 55 VAL HG11 H 1 0.545 0.006 . 2 . . . . . 55 Val HG11 . 28046 2 434 . 1 . 1 55 55 VAL HG12 H 1 0.545 0.006 . 2 . . . . . 55 Val HG12 . 28046 2 435 . 1 . 1 55 55 VAL HG13 H 1 0.545 0.006 . 2 . . . . . 55 Val HG13 . 28046 2 436 . 1 . 1 55 55 VAL HG21 H 1 0.727 0.009 . 2 . . . . . 55 Val HG21 . 28046 2 437 . 1 . 1 55 55 VAL HG22 H 1 0.727 0.009 . 2 . . . . . 55 Val HG22 . 28046 2 438 . 1 . 1 55 55 VAL HG23 H 1 0.727 0.009 . 2 . . . . . 55 Val HG23 . 28046 2 439 . 1 . 1 55 55 VAL CA C 13 58.891 0.153 . 1 . . . . . 55 Val CA . 28046 2 440 . 1 . 1 55 55 VAL CB C 13 35.896 0.045 . 1 . . . . . 55 Val CB . 28046 2 441 . 1 . 1 55 55 VAL CG1 C 13 19.357 0.019 . 2 . . . . . 55 Val CG1 . 28046 2 442 . 1 . 1 55 55 VAL CG2 C 13 22.171 0.047 . 2 . . . . . 55 Val CG2 . 28046 2 443 . 1 . 1 55 55 VAL N N 15 118.943 0.032 . 1 . . . . . 55 Val N . 28046 2 444 . 1 . 1 56 56 VAL H H 1 8.275 0.004 . 1 . . . . . 56 Val H . 28046 2 445 . 1 . 1 56 56 VAL HA H 1 4.352 0.006 . 1 . . . . . 56 Val HA . 28046 2 446 . 1 . 1 56 56 VAL HB H 1 1.832 0.002 . 1 . . . . . 56 Val HB . 28046 2 447 . 1 . 1 56 56 VAL HG11 H 1 0.582 0.006 . 2 . . . . . 56 Val HG11 . 28046 2 448 . 1 . 1 56 56 VAL HG12 H 1 0.582 0.006 . 2 . . . . . 56 Val HG12 . 28046 2 449 . 1 . 1 56 56 VAL HG13 H 1 0.582 0.006 . 2 . . . . . 56 Val HG13 . 28046 2 450 . 1 . 1 56 56 VAL HG21 H 1 0.766 0.008 . 2 . . . . . 56 Val HG21 . 28046 2 451 . 1 . 1 56 56 VAL HG22 H 1 0.766 0.008 . 2 . . . . . 56 Val HG22 . 28046 2 452 . 1 . 1 56 56 VAL HG23 H 1 0.766 0.008 . 2 . . . . . 56 Val HG23 . 28046 2 453 . 1 . 1 56 56 VAL CA C 13 61.794 0.052 . 1 . . . . . 56 Val CA . 28046 2 454 . 1 . 1 56 56 VAL CB C 13 31.097 0.036 . 1 . . . . . 56 Val CB . 28046 2 455 . 1 . 1 56 56 VAL CG1 C 13 21.051 0.021 . 2 . . . . . 56 Val CG1 . 28046 2 456 . 1 . 1 56 56 VAL CG2 C 13 21.078 0.028 . 2 . . . . . 56 Val CG2 . 28046 2 457 . 1 . 1 56 56 VAL N N 15 121.096 0.042 . 1 . . . . . 56 Val N . 28046 2 458 . 1 . 1 57 57 LEU H H 1 9.090 0.006 . 1 . . . . . 57 Leu H . 28046 2 459 . 1 . 1 57 57 LEU HA H 1 4.554 0.013 . 1 . . . . . 57 Leu HA . 28046 2 460 . 1 . 1 57 57 LEU HB2 H 1 1.903 0.011 . 2 . . . . . 57 Leu HB2 . 28046 2 461 . 1 . 1 57 57 LEU HB3 H 1 0.781 0.013 . 2 . . . . . 57 Leu HB3 . 28046 2 462 . 1 . 1 57 57 LEU HG H 1 1.245 0.008 . 1 . . . . . 57 Leu HG . 28046 2 463 . 1 . 1 57 57 LEU HD11 H 1 0.788 0.009 . 2 . . . . . 57 Leu HD11 . 28046 2 464 . 1 . 1 57 57 LEU HD12 H 1 0.788 0.009 . 2 . . . . . 57 Leu HD12 . 28046 2 465 . 1 . 1 57 57 LEU HD13 H 1 0.788 0.009 . 2 . . . . . 57 Leu HD13 . 28046 2 466 . 1 . 1 57 57 LEU HD21 H 1 0.767 0.010 . 2 . . . . . 57 Leu HD21 . 28046 2 467 . 1 . 1 57 57 LEU HD22 H 1 0.767 0.010 . 2 . . . . . 57 Leu HD22 . 28046 2 468 . 1 . 1 57 57 LEU HD23 H 1 0.767 0.010 . 2 . . . . . 57 Leu HD23 . 28046 2 469 . 1 . 1 57 57 LEU CA C 13 52.411 0.045 . 1 . . . . . 57 Leu CA . 28046 2 470 . 1 . 1 57 57 LEU CB C 13 44.561 0.040 . 1 . . . . . 57 Leu CB . 28046 2 471 . 1 . 1 57 57 LEU CG C 13 27.231 0.060 . 1 . . . . . 57 Leu CG . 28046 2 472 . 1 . 1 57 57 LEU CD1 C 13 23.722 0.053 . 2 . . . . . 57 Leu CD1 . 28046 2 473 . 1 . 1 57 57 LEU CD2 C 13 26.528 0.044 . 2 . . . . . 57 Leu CD2 . 28046 2 474 . 1 . 1 57 57 LEU N N 15 129.741 0.028 . 1 . . . . . 57 Leu N . 28046 2 475 . 1 . 1 58 58 ASP H H 1 9.559 0.009 . 1 . . . . . 58 Asp H . 28046 2 476 . 1 . 1 58 58 ASP HA H 1 4.161 0.012 . 1 . . . . . 58 Asp HA . 28046 2 477 . 1 . 1 58 58 ASP HB2 H 1 2.567 0.003 . 2 . . . . . 58 Asp HB2 . 28046 2 478 . 1 . 1 58 58 ASP HB3 H 1 2.758 0.007 . 2 . . . . . 58 Asp HB3 . 28046 2 479 . 1 . 1 58 58 ASP CA C 13 55.360 0.083 . 1 . . . . . 58 Asp CA . 28046 2 480 . 1 . 1 58 58 ASP CB C 13 39.566 0.065 . 1 . . . . . 58 Asp CB . 28046 2 481 . 1 . 1 58 58 ASP N N 15 129.412 0.019 . 1 . . . . . 58 Asp N . 28046 2 482 . 1 . 1 59 59 GLY H H 1 7.941 0.004 . 1 . . . . . 59 Gly H . 28046 2 483 . 1 . 1 59 59 GLY HA2 H 1 3.361 0.003 . 2 . . . . . 59 Gly HA2 . 28046 2 484 . 1 . 1 59 59 GLY HA3 H 1 4.108 0.010 . 2 . . . . . 59 Gly HA3 . 28046 2 485 . 1 . 1 59 59 GLY CA C 13 44.972 0.043 . 1 . . . . . 59 Gly CA . 28046 2 486 . 1 . 1 59 59 GLY N N 15 102.245 0.028 . 1 . . . . . 59 Gly N . 28046 2 487 . 1 . 1 60 60 GLU H H 1 7.533 0.004 . 1 . . . . . 60 Glu H . 28046 2 488 . 1 . 1 60 60 GLU HA H 1 4.521 0.004 . 1 . . . . . 60 Glu HA . 28046 2 489 . 1 . 1 60 60 GLU HB2 H 1 1.767 0.005 . 2 . . . . . 60 Glu HB2 . 28046 2 490 . 1 . 1 60 60 GLU HB3 H 1 1.938 0.006 . 2 . . . . . 60 Glu HB3 . 28046 2 491 . 1 . 1 60 60 GLU HG2 H 1 2.025 0.002 . 2 . . . . . 60 Glu HG2 . 28046 2 492 . 1 . 1 60 60 GLU HG3 H 1 2.150 0.007 . 2 . . . . . 60 Glu HG3 . 28046 2 493 . 1 . 1 60 60 GLU CA C 13 53.966 0.115 . 1 . . . . . 60 Glu CA . 28046 2 494 . 1 . 1 60 60 GLU CB C 13 32.149 0.062 . 1 . . . . . 60 Glu CB . 28046 2 495 . 1 . 1 60 60 GLU CG C 13 35.485 0.062 . 1 . . . . . 60 Glu CG . 28046 2 496 . 1 . 1 60 60 GLU N N 15 120.747 0.049 . 1 . . . . . 60 Glu N . 28046 2 497 . 1 . 1 61 61 GLU H H 1 8.724 0.006 . 1 . . . . . 61 Glu H . 28046 2 498 . 1 . 1 61 61 GLU HA H 1 4.576 0.007 . 1 . . . . . 61 Glu HA . 28046 2 499 . 1 . 1 61 61 GLU HB2 H 1 1.827 0.005 . 1 . . . . . 61 Glu HB2 . 28046 2 500 . 1 . 1 61 61 GLU HB3 H 1 1.827 0.005 . 1 . . . . . 61 Glu HB3 . 28046 2 501 . 1 . 1 61 61 GLU HG2 H 1 1.918 0.006 . 2 . . . . . 61 Glu HG2 . 28046 2 502 . 1 . 1 61 61 GLU HG3 H 1 2.124 0.005 . 2 . . . . . 61 Glu HG3 . 28046 2 503 . 1 . 1 61 61 GLU CA C 13 56.854 0.071 . 1 . . . . . 61 Glu CA . 28046 2 504 . 1 . 1 61 61 GLU CB C 13 29.915 0.062 . 1 . . . . . 61 Glu CB . 28046 2 505 . 1 . 1 61 61 GLU CG C 13 37.191 0.064 . 1 . . . . . 61 Glu CG . 28046 2 506 . 1 . 1 61 61 GLU N N 15 125.650 0.053 . 1 . . . . . 61 Glu N . 28046 2 507 . 1 . 1 62 62 VAL H H 1 9.047 0.003 . 1 . . . . . 62 Val H . 28046 2 508 . 1 . 1 62 62 VAL HA H 1 4.597 0.009 . 1 . . . . . 62 Val HA . 28046 2 509 . 1 . 1 62 62 VAL HB H 1 1.817 0.005 . 1 . . . . . 62 Val HB . 28046 2 510 . 1 . 1 62 62 VAL HG11 H 1 0.633 0.006 . 2 . . . . . 62 Val HG11 . 28046 2 511 . 1 . 1 62 62 VAL HG12 H 1 0.633 0.006 . 2 . . . . . 62 Val HG12 . 28046 2 512 . 1 . 1 62 62 VAL HG13 H 1 0.633 0.006 . 2 . . . . . 62 Val HG13 . 28046 2 513 . 1 . 1 62 62 VAL HG21 H 1 0.850 0.008 . 2 . . . . . 62 Val HG21 . 28046 2 514 . 1 . 1 62 62 VAL HG22 H 1 0.850 0.008 . 2 . . . . . 62 Val HG22 . 28046 2 515 . 1 . 1 62 62 VAL HG23 H 1 0.850 0.008 . 2 . . . . . 62 Val HG23 . 28046 2 516 . 1 . 1 62 62 VAL CA C 13 59.002 0.062 . 1 . . . . . 62 Val CA . 28046 2 517 . 1 . 1 62 62 VAL CB C 13 35.519 0.047 . 1 . . . . . 62 Val CB . 28046 2 518 . 1 . 1 62 62 VAL CG1 C 13 20.133 0.076 . 2 . . . . . 62 Val CG1 . 28046 2 519 . 1 . 1 62 62 VAL CG2 C 13 21.748 0.040 . 2 . . . . . 62 Val CG2 . 28046 2 520 . 1 . 1 62 62 VAL N N 15 120.893 0.042 . 1 . . . . . 62 Val N . 28046 2 521 . 1 . 1 63 63 GLN H H 1 8.256 0.010 . 1 . . . . . 63 Gln H . 28046 2 522 . 1 . 1 63 63 GLN HA H 1 5.210 0.007 . 1 . . . . . 63 Gln HA . 28046 2 523 . 1 . 1 63 63 GLN HB2 H 1 1.664 0.013 . 2 . . . . . 63 Gln HB2 . 28046 2 524 . 1 . 1 63 63 GLN HB3 H 1 1.809 0.017 . 2 . . . . . 63 Gln HB3 . 28046 2 525 . 1 . 1 63 63 GLN HG2 H 1 1.855 0.006 . 2 . . . . . 63 Gln HG2 . 28046 2 526 . 1 . 1 63 63 GLN HG3 H 1 2.194 0.007 . 2 . . . . . 63 Gln HG3 . 28046 2 527 . 1 . 1 63 63 GLN HE21 H 1 6.753 0.003 . 1 . . . . . 63 Gln HE21 . 28046 2 528 . 1 . 1 63 63 GLN HE22 H 1 7.278 0.003 . 1 . . . . . 63 Gln HE22 . 28046 2 529 . 1 . 1 63 63 GLN CA C 13 54.103 0.077 . 1 . . . . . 63 Gln CA . 28046 2 530 . 1 . 1 63 63 GLN CB C 13 32.731 0.041 . 1 . . . . . 63 Gln CB . 28046 2 531 . 1 . 1 63 63 GLN CG C 13 35.162 0.044 . 1 . . . . . 63 Gln CG . 28046 2 532 . 1 . 1 63 63 GLN N N 15 117.474 0.049 . 1 . . . . . 63 Gln N . 28046 2 533 . 1 . 1 63 63 GLN NE2 N 15 110.793 0.015 . 1 . . . . . 63 Gln NE2 . 28046 2 534 . 1 . 1 64 64 ILE H H 1 8.903 0.007 . 1 . . . . . 64 Ile H . 28046 2 535 . 1 . 1 64 64 ILE HA H 1 5.077 0.005 . 1 . . . . . 64 Ile HA . 28046 2 536 . 1 . 1 64 64 ILE HB H 1 1.951 0.004 . 1 . . . . . 64 Ile HB . 28046 2 537 . 1 . 1 64 64 ILE HG12 H 1 1.536 0.007 . 2 . . . . . 64 Ile HG12 . 28046 2 538 . 1 . 1 64 64 ILE HG13 H 1 0.949 0.014 . 2 . . . . . 64 Ile HG13 . 28046 2 539 . 1 . 1 64 64 ILE HG21 H 1 0.935 0.007 . 1 . . . . . 64 Ile HG21 . 28046 2 540 . 1 . 1 64 64 ILE HG22 H 1 0.935 0.007 . 1 . . . . . 64 Ile HG22 . 28046 2 541 . 1 . 1 64 64 ILE HG23 H 1 0.935 0.007 . 1 . . . . . 64 Ile HG23 . 28046 2 542 . 1 . 1 64 64 ILE HD11 H 1 0.672 0.007 . 1 . . . . . 64 Ile HD11 . 28046 2 543 . 1 . 1 64 64 ILE HD12 H 1 0.672 0.007 . 1 . . . . . 64 Ile HD12 . 28046 2 544 . 1 . 1 64 64 ILE HD13 H 1 0.672 0.007 . 1 . . . . . 64 Ile HD13 . 28046 2 545 . 1 . 1 64 64 ILE CA C 13 57.454 0.051 . 1 . . . . . 64 Ile CA . 28046 2 546 . 1 . 1 64 64 ILE CB C 13 40.268 0.082 . 1 . . . . . 64 Ile CB . 28046 2 547 . 1 . 1 64 64 ILE CG1 C 13 28.996 0.044 . 1 . . . . . 64 Ile CG1 . 28046 2 548 . 1 . 1 64 64 ILE CG2 C 13 15.271 0.030 . 1 . . . . . 64 Ile CG2 . 28046 2 549 . 1 . 1 64 64 ILE CD1 C 13 13.808 0.023 . 1 . . . . . 64 Ile CD1 . 28046 2 550 . 1 . 1 64 64 ILE N N 15 121.751 0.054 . 1 . . . . . 64 Ile N . 28046 2 551 . 1 . 1 65 65 ASP H H 1 8.506 0.007 . 1 . . . . . 65 Asp H . 28046 2 552 . 1 . 1 65 65 ASP HA H 1 5.528 0.009 . 1 . . . . . 65 Asp HA . 28046 2 553 . 1 . 1 65 65 ASP HB2 H 1 2.054 0.007 . 2 . . . . . 65 Asp HB2 . 28046 2 554 . 1 . 1 65 65 ASP HB3 H 1 2.553 0.010 . 2 . . . . . 65 Asp HB3 . 28046 2 555 . 1 . 1 65 65 ASP CA C 13 51.897 0.062 . 1 . . . . . 65 Asp CA . 28046 2 556 . 1 . 1 65 65 ASP CB C 13 45.217 0.082 . 1 . . . . . 65 Asp CB . 28046 2 557 . 1 . 1 65 65 ASP N N 15 128.739 0.032 . 1 . . . . . 65 Asp N . 28046 2 558 . 1 . 1 66 66 ILE H H 1 9.472 0.011 . 1 . . . . . 66 Ile H . 28046 2 559 . 1 . 1 66 66 ILE HA H 1 4.653 0.005 . 1 . . . . . 66 Ile HA . 28046 2 560 . 1 . 1 66 66 ILE HB H 1 1.556 0.012 . 1 . . . . . 66 Ile HB . 28046 2 561 . 1 . 1 66 66 ILE HG12 H 1 0.545 0.013 . 2 . . . . . 66 Ile HG12 . 28046 2 562 . 1 . 1 66 66 ILE HG13 H 1 1.456 0.005 . 2 . . . . . 66 Ile HG13 . 28046 2 563 . 1 . 1 66 66 ILE HG21 H 1 0.768 0.006 . 1 . . . . . 66 Ile HG21 . 28046 2 564 . 1 . 1 66 66 ILE HG22 H 1 0.768 0.006 . 1 . . . . . 66 Ile HG22 . 28046 2 565 . 1 . 1 66 66 ILE HG23 H 1 0.768 0.006 . 1 . . . . . 66 Ile HG23 . 28046 2 566 . 1 . 1 66 66 ILE HD11 H 1 0.434 0.006 . 1 . . . . . 66 Ile HD11 . 28046 2 567 . 1 . 1 66 66 ILE HD12 H 1 0.434 0.006 . 1 . . . . . 66 Ile HD12 . 28046 2 568 . 1 . 1 66 66 ILE HD13 H 1 0.434 0.006 . 1 . . . . . 66 Ile HD13 . 28046 2 569 . 1 . 1 66 66 ILE CA C 13 60.002 0.066 . 1 . . . . . 66 Ile CA . 28046 2 570 . 1 . 1 66 66 ILE CB C 13 41.576 0.029 . 1 . . . . . 66 Ile CB . 28046 2 571 . 1 . 1 66 66 ILE CG1 C 13 27.502 0.045 . 1 . . . . . 66 Ile CG1 . 28046 2 572 . 1 . 1 66 66 ILE CG2 C 13 18.883 0.044 . 1 . . . . . 66 Ile CG2 . 28046 2 573 . 1 . 1 66 66 ILE CD1 C 13 15.442 0.067 . 1 . . . . . 66 Ile CD1 . 28046 2 574 . 1 . 1 66 66 ILE N N 15 124.636 0.037 . 1 . . . . . 66 Ile N . 28046 2 575 . 1 . 1 67 67 LEU H H 1 8.682 0.007 . 1 . . . . . 67 Leu H . 28046 2 576 . 1 . 1 67 67 LEU HA H 1 4.778 0.007 . 1 . . . . . 67 Leu HA . 28046 2 577 . 1 . 1 67 67 LEU HB2 H 1 1.377 0.006 . 2 . . . . . 67 Leu HB2 . 28046 2 578 . 1 . 1 67 67 LEU HB3 H 1 1.841 0.008 . 2 . . . . . 67 Leu HB3 . 28046 2 579 . 1 . 1 67 67 LEU HG H 1 1.177 0.010 . 1 . . . . . 67 Leu HG . 28046 2 580 . 1 . 1 67 67 LEU HD11 H 1 0.472 0.011 . 2 . . . . . 67 Leu HD11 . 28046 2 581 . 1 . 1 67 67 LEU HD12 H 1 0.472 0.011 . 2 . . . . . 67 Leu HD12 . 28046 2 582 . 1 . 1 67 67 LEU HD13 H 1 0.472 0.011 . 2 . . . . . 67 Leu HD13 . 28046 2 583 . 1 . 1 67 67 LEU HD21 H 1 0.535 0.011 . 2 . . . . . 67 Leu HD21 . 28046 2 584 . 1 . 1 67 67 LEU HD22 H 1 0.535 0.011 . 2 . . . . . 67 Leu HD22 . 28046 2 585 . 1 . 1 67 67 LEU HD23 H 1 0.535 0.011 . 2 . . . . . 67 Leu HD23 . 28046 2 586 . 1 . 1 67 67 LEU CA C 13 53.817 0.051 . 1 . . . . . 67 Leu CA . 28046 2 587 . 1 . 1 67 67 LEU CB C 13 42.461 0.042 . 1 . . . . . 67 Leu CB . 28046 2 588 . 1 . 1 67 67 LEU CG C 13 27.289 0.006 . 1 . . . . . 67 Leu CG . 28046 2 589 . 1 . 1 67 67 LEU CD1 C 13 25.285 0.030 . 2 . . . . . 67 Leu CD1 . 28046 2 590 . 1 . 1 67 67 LEU CD2 C 13 23.073 0.042 . 2 . . . . . 67 Leu CD2 . 28046 2 591 . 1 . 1 67 67 LEU N N 15 128.983 0.024 . 1 . . . . . 67 Leu N . 28046 2 592 . 1 . 1 69 69 THR HA H 1 4.359 0.005 . 1 . . . . . 69 Thr HA . 28046 2 593 . 1 . 1 69 69 THR HB H 1 4.194 0.004 . 1 . . . . . 69 Thr HB . 28046 2 594 . 1 . 1 69 69 THR HG21 H 1 1.002 0.009 . 1 . . . . . 69 Thr HG21 . 28046 2 595 . 1 . 1 69 69 THR HG22 H 1 1.002 0.009 . 1 . . . . . 69 Thr HG22 . 28046 2 596 . 1 . 1 69 69 THR HG23 H 1 1.002 0.009 . 1 . . . . . 69 Thr HG23 . 28046 2 597 . 1 . 1 69 69 THR CA C 13 63.348 0.007 . 1 . . . . . 69 Thr CA . 28046 2 598 . 1 . 1 69 69 THR CB C 13 71.339 0.019 . 1 . . . . . 69 Thr CB . 28046 2 599 . 1 . 1 69 69 THR CG2 C 13 21.620 0.024 . 1 . . . . . 69 Thr CG2 . 28046 2 600 . 1 . 1 70 70 ALA HA H 1 4.408 0.002 . 1 . . . . . 70 Ala HA . 28046 2 601 . 1 . 1 70 70 ALA HB1 H 1 1.134 0.004 . 1 . . . . . 70 Ala HB1 . 28046 2 602 . 1 . 1 70 70 ALA HB2 H 1 1.134 0.004 . 1 . . . . . 70 Ala HB2 . 28046 2 603 . 1 . 1 70 70 ALA HB3 H 1 1.134 0.004 . 1 . . . . . 70 Ala HB3 . 28046 2 604 . 1 . 1 70 70 ALA CA C 13 52.283 0.000 . 1 . . . . . 70 Ala CA . 28046 2 605 . 1 . 1 70 70 ALA CB C 13 19.653 0.049 . 1 . . . . . 70 Ala CB . 28046 2 606 . 1 . 1 71 71 GLY H H 1 9.189 0.004 . 1 . . . . . 71 Gly H . 28046 2 607 . 1 . 1 71 71 GLY HA2 H 1 3.727 0.011 . 2 . . . . . 71 Gly HA2 . 28046 2 608 . 1 . 1 71 71 GLY HA3 H 1 4.164 0.000 . 2 . . . . . 71 Gly HA3 . 28046 2 609 . 1 . 1 71 71 GLY CA C 13 46.431 0.057 . 1 . . . . . 71 Gly CA . 28046 2 610 . 1 . 1 71 71 GLY N N 15 110.972 0.016 . 1 . . . . . 71 Gly N . 28046 2 611 . 1 . 1 72 72 LEU H H 1 8.029 0.004 . 1 . . . . . 72 Leu H . 28046 2 612 . 1 . 1 72 72 LEU HA H 1 4.360 0.007 . 1 . . . . . 72 Leu HA . 28046 2 613 . 1 . 1 72 72 LEU HB2 H 1 1.541 0.020 . 2 . . . . . 72 Leu HB2 . 28046 2 614 . 1 . 1 72 72 LEU HB3 H 1 1.579 0.032 . 2 . . . . . 72 Leu HB3 . 28046 2 615 . 1 . 1 72 72 LEU HG H 1 1.576 0.016 . 1 . . . . . 72 Leu HG . 28046 2 616 . 1 . 1 72 72 LEU HD11 H 1 0.815 0.011 . 2 . . . . . 72 Leu HD11 . 28046 2 617 . 1 . 1 72 72 LEU HD12 H 1 0.815 0.011 . 2 . . . . . 72 Leu HD12 . 28046 2 618 . 1 . 1 72 72 LEU HD13 H 1 0.815 0.011 . 2 . . . . . 72 Leu HD13 . 28046 2 619 . 1 . 1 72 72 LEU HD21 H 1 0.832 0.009 . 2 . . . . . 72 Leu HD21 . 28046 2 620 . 1 . 1 72 72 LEU HD22 H 1 0.832 0.009 . 2 . . . . . 72 Leu HD22 . 28046 2 621 . 1 . 1 72 72 LEU HD23 H 1 0.832 0.009 . 2 . . . . . 72 Leu HD23 . 28046 2 622 . 1 . 1 72 72 LEU CA C 13 54.904 0.048 . 1 . . . . . 72 Leu CA . 28046 2 623 . 1 . 1 72 72 LEU CB C 13 42.182 0.050 . 1 . . . . . 72 Leu CB . 28046 2 624 . 1 . 1 72 72 LEU CG C 13 26.661 0.001 . 1 . . . . . 72 Leu CG . 28046 2 625 . 1 . 1 72 72 LEU CD1 C 13 23.310 0.003 . 2 . . . . . 72 Leu CD1 . 28046 2 626 . 1 . 1 72 72 LEU CD2 C 13 25.070 0.001 . 2 . . . . . 72 Leu CD2 . 28046 2 627 . 1 . 1 72 72 LEU N N 15 120.454 0.064 . 1 . . . . . 72 Leu N . 28046 2 628 . 1 . 1 73 73 GLU H H 1 8.514 0.004 . 1 . . . . . 73 Glu H . 28046 2 629 . 1 . 1 73 73 GLU HA H 1 4.104 0.005 . 1 . . . . . 73 Glu HA . 28046 2 630 . 1 . 1 73 73 GLU HB2 H 1 1.896 0.012 . 2 . . . . . 73 Glu HB2 . 28046 2 631 . 1 . 1 73 73 GLU HB3 H 1 1.933 0.011 . 2 . . . . . 73 Glu HB3 . 28046 2 632 . 1 . 1 73 73 GLU HG2 H 1 2.200 0.005 . 1 . . . . . 73 Glu HG2 . 28046 2 633 . 1 . 1 73 73 GLU HG3 H 1 2.200 0.005 . 1 . . . . . 73 Glu HG3 . 28046 2 634 . 1 . 1 73 73 GLU CA C 13 57.405 0.079 . 1 . . . . . 73 Glu CA . 28046 2 635 . 1 . 1 73 73 GLU CB C 13 29.742 0.024 . 1 . . . . . 73 Glu CB . 28046 2 636 . 1 . 1 73 73 GLU CG C 13 36.148 0.035 . 1 . . . . . 73 Glu CG . 28046 2 637 . 1 . 1 73 73 GLU N N 15 120.768 0.052 . 1 . . . . . 73 Glu N . 28046 2 638 . 1 . 1 74 74 ASP H H 1 8.112 0.005 . 1 . . . . . 74 Asp H . 28046 2 639 . 1 . 1 74 74 ASP HA H 1 4.432 0.004 . 1 . . . . . 74 Asp HA . 28046 2 640 . 1 . 1 74 74 ASP HB2 H 1 2.271 0.011 . 2 . . . . . 74 Asp HB2 . 28046 2 641 . 1 . 1 74 74 ASP HB3 H 1 2.415 0.003 . 2 . . . . . 74 Asp HB3 . 28046 2 642 . 1 . 1 74 74 ASP CA C 13 54.427 0.070 . 1 . . . . . 74 Asp CA . 28046 2 643 . 1 . 1 74 74 ASP CB C 13 40.889 0.048 . 1 . . . . . 74 Asp CB . 28046 2 644 . 1 . 1 74 74 ASP N N 15 119.364 0.039 . 1 . . . . . 74 Asp N . 28046 2 645 . 1 . 1 75 75 TYR H H 1 7.960 0.007 . 1 . . . . . 75 Tyr H . 28046 2 646 . 1 . 1 75 75 TYR HA H 1 4.532 0.003 . 1 . . . . . 75 Tyr HA . 28046 2 647 . 1 . 1 75 75 TYR HB2 H 1 2.797 0.006 . 2 . . . . . 75 Tyr HB2 . 28046 2 648 . 1 . 1 75 75 TYR HB3 H 1 3.046 0.010 . 2 . . . . . 75 Tyr HB3 . 28046 2 649 . 1 . 1 75 75 TYR HD1 H 1 7.040 0.006 . 1 . . . . . 75 Tyr HD1 . 28046 2 650 . 1 . 1 75 75 TYR HD2 H 1 7.040 0.006 . 1 . . . . . 75 Tyr HD2 . 28046 2 651 . 1 . 1 75 75 TYR HE1 H 1 6.727 0.005 . 1 . . . . . 75 Tyr HE1 . 28046 2 652 . 1 . 1 75 75 TYR HE2 H 1 6.727 0.005 . 1 . . . . . 75 Tyr HE2 . 28046 2 653 . 1 . 1 75 75 TYR CA C 13 57.007 0.070 . 1 . . . . . 75 Tyr CA . 28046 2 654 . 1 . 1 75 75 TYR CB C 13 38.142 0.099 . 1 . . . . . 75 Tyr CB . 28046 2 655 . 1 . 1 75 75 TYR CD1 C 13 132.860 0.021 . 1 . . . . . 75 Tyr CD1 . 28046 2 656 . 1 . 1 75 75 TYR CD2 C 13 132.860 0.021 . 1 . . . . . 75 Tyr CD2 . 28046 2 657 . 1 . 1 75 75 TYR CE1 C 13 118.039 0.030 . 1 . . . . . 75 Tyr CE1 . 28046 2 658 . 1 . 1 75 75 TYR CE2 C 13 118.039 0.030 . 1 . . . . . 75 Tyr CE2 . 28046 2 659 . 1 . 1 75 75 TYR N N 15 119.636 0.055 . 1 . . . . . 75 Tyr N . 28046 2 660 . 1 . 1 76 76 ALA H H 1 8.168 0.006 . 1 . . . . . 76 Ala H . 28046 2 661 . 1 . 1 76 76 ALA HA H 1 3.798 0.003 . 1 . . . . . 76 Ala HA . 28046 2 662 . 1 . 1 76 76 ALA HB1 H 1 1.298 0.006 . 1 . . . . . 76 Ala HB1 . 28046 2 663 . 1 . 1 76 76 ALA HB2 H 1 1.298 0.006 . 1 . . . . . 76 Ala HB2 . 28046 2 664 . 1 . 1 76 76 ALA HB3 H 1 1.298 0.006 . 1 . . . . . 76 Ala HB3 . 28046 2 665 . 1 . 1 76 76 ALA CA C 13 54.792 0.045 . 1 . . . . . 76 Ala CA . 28046 2 666 . 1 . 1 76 76 ALA CB C 13 18.377 0.078 . 1 . . . . . 76 Ala CB . 28046 2 667 . 1 . 1 76 76 ALA N N 15 124.770 0.037 . 1 . . . . . 76 Ala N . 28046 2 668 . 1 . 1 77 77 ALA H H 1 8.051 0.009 . 1 . . . . . 77 Ala H . 28046 2 669 . 1 . 1 77 77 ALA HA H 1 4.005 0.012 . 1 . . . . . 77 Ala HA . 28046 2 670 . 1 . 1 77 77 ALA HB1 H 1 1.291 0.011 . 1 . . . . . 77 Ala HB1 . 28046 2 671 . 1 . 1 77 77 ALA HB2 H 1 1.291 0.011 . 1 . . . . . 77 Ala HB2 . 28046 2 672 . 1 . 1 77 77 ALA HB3 H 1 1.291 0.011 . 1 . . . . . 77 Ala HB3 . 28046 2 673 . 1 . 1 77 77 ALA CA C 13 54.140 0.056 . 1 . . . . . 77 Ala CA . 28046 2 674 . 1 . 1 77 77 ALA CB C 13 18.166 0.065 . 1 . . . . . 77 Ala CB . 28046 2 675 . 1 . 1 77 77 ALA N N 15 118.181 0.038 . 1 . . . . . 77 Ala N . 28046 2 676 . 1 . 1 78 78 ILE H H 1 7.221 0.009 . 1 . . . . . 78 Ile H . 28046 2 677 . 1 . 1 78 78 ILE HA H 1 3.749 0.006 . 1 . . . . . 78 Ile HA . 28046 2 678 . 1 . 1 78 78 ILE HB H 1 1.777 0.006 . 1 . . . . . 78 Ile HB . 28046 2 679 . 1 . 1 78 78 ILE HG12 H 1 1.354 0.009 . 2 . . . . . 78 Ile HG12 . 28046 2 680 . 1 . 1 78 78 ILE HG13 H 1 1.057 0.007 . 2 . . . . . 78 Ile HG13 . 28046 2 681 . 1 . 1 78 78 ILE HG21 H 1 0.693 0.009 . 1 . . . . . 78 Ile HG21 . 28046 2 682 . 1 . 1 78 78 ILE HG22 H 1 0.693 0.009 . 1 . . . . . 78 Ile HG22 . 28046 2 683 . 1 . 1 78 78 ILE HG23 H 1 0.693 0.009 . 1 . . . . . 78 Ile HG23 . 28046 2 684 . 1 . 1 78 78 ILE HD11 H 1 0.710 0.009 . 1 . . . . . 78 Ile HD11 . 28046 2 685 . 1 . 1 78 78 ILE HD12 H 1 0.710 0.009 . 1 . . . . . 78 Ile HD12 . 28046 2 686 . 1 . 1 78 78 ILE HD13 H 1 0.710 0.009 . 1 . . . . . 78 Ile HD13 . 28046 2 687 . 1 . 1 78 78 ILE CA C 13 62.410 0.061 . 1 . . . . . 78 Ile CA . 28046 2 688 . 1 . 1 78 78 ILE CB C 13 37.728 0.036 . 1 . . . . . 78 Ile CB . 28046 2 689 . 1 . 1 78 78 ILE CG1 C 13 27.841 0.061 . 1 . . . . . 78 Ile CG1 . 28046 2 690 . 1 . 1 78 78 ILE CG2 C 13 17.308 0.055 . 1 . . . . . 78 Ile CG2 . 28046 2 691 . 1 . 1 78 78 ILE CD1 C 13 12.547 0.034 . 1 . . . . . 78 Ile CD1 . 28046 2 692 . 1 . 1 78 78 ILE N N 15 116.653 0.069 . 1 . . . . . 78 Ile N . 28046 2 693 . 1 . 1 79 79 ARG H H 1 7.715 0.006 . 1 . . . . . 79 Arg H . 28046 2 694 . 1 . 1 79 79 ARG HA H 1 3.449 0.011 . 1 . . . . . 79 Arg HA . 28046 2 695 . 1 . 1 79 79 ARG HB2 H 1 1.479 0.030 . 1 . . . . . 79 Arg HB2 . 28046 2 696 . 1 . 1 79 79 ARG HB3 H 1 1.479 0.030 . 1 . . . . . 79 Arg HB3 . 28046 2 697 . 1 . 1 79 79 ARG HG2 H 1 1.337 0.012 . 1 . . . . . 79 Arg HG2 . 28046 2 698 . 1 . 1 79 79 ARG HG3 H 1 1.337 0.012 . 1 . . . . . 79 Arg HG3 . 28046 2 699 . 1 . 1 79 79 ARG HD2 H 1 3.080 0.008 . 1 . . . . . 79 Arg HD2 . 28046 2 700 . 1 . 1 79 79 ARG HD3 H 1 3.080 0.008 . 1 . . . . . 79 Arg HD3 . 28046 2 701 . 1 . 1 79 79 ARG CA C 13 58.413 0.047 . 1 . . . . . 79 Arg CA . 28046 2 702 . 1 . 1 79 79 ARG CB C 13 29.544 0.001 . 1 . . . . . 79 Arg CB . 28046 2 703 . 1 . 1 79 79 ARG CG C 13 26.465 0.002 . 1 . . . . . 79 Arg CG . 28046 2 704 . 1 . 1 79 79 ARG CD C 13 43.099 0.001 . 1 . . . . . 79 Arg CD . 28046 2 705 . 1 . 1 79 79 ARG N N 15 120.835 0.061 . 1 . . . . . 79 Arg N . 28046 2 706 . 1 . 1 80 80 ASP H H 1 8.127 0.004 . 1 . . . . . 80 Asp H . 28046 2 707 . 1 . 1 80 80 ASP HA H 1 4.057 0.008 . 1 . . . . . 80 Asp HA . 28046 2 708 . 1 . 1 80 80 ASP HB2 H 1 2.453 0.006 . 2 . . . . . 80 Asp HB2 . 28046 2 709 . 1 . 1 80 80 ASP HB3 H 1 2.556 0.016 . 2 . . . . . 80 Asp HB3 . 28046 2 710 . 1 . 1 80 80 ASP CA C 13 57.140 0.060 . 1 . . . . . 80 Asp CA . 28046 2 711 . 1 . 1 80 80 ASP CB C 13 39.692 0.107 . 1 . . . . . 80 Asp CB . 28046 2 712 . 1 . 1 80 80 ASP N N 15 117.810 0.043 . 1 . . . . . 80 Asp N . 28046 2 713 . 1 . 1 81 81 ASN H H 1 7.532 0.002 . 1 . . . . . 81 Asn H . 28046 2 714 . 1 . 1 81 81 ASN HA H 1 4.361 0.006 . 1 . . . . . 81 Asn HA . 28046 2 715 . 1 . 1 81 81 ASN HB2 H 1 2.639 0.016 . 2 . . . . . 81 Asn HB2 . 28046 2 716 . 1 . 1 81 81 ASN HB3 H 1 2.668 0.011 . 2 . . . . . 81 Asn HB3 . 28046 2 717 . 1 . 1 81 81 ASN HD21 H 1 7.410 0.002 . 1 . . . . . 81 Asn HD21 . 28046 2 718 . 1 . 1 81 81 ASN HD22 H 1 6.821 0.006 . 1 . . . . . 81 Asn HD22 . 28046 2 719 . 1 . 1 81 81 ASN CA C 13 55.570 0.083 . 1 . . . . . 81 Asn CA . 28046 2 720 . 1 . 1 81 81 ASN CB C 13 38.015 0.097 . 1 . . . . . 81 Asn CB . 28046 2 721 . 1 . 1 81 81 ASN N N 15 116.056 0.023 . 1 . . . . . 81 Asn N . 28046 2 722 . 1 . 1 81 81 ASN ND2 N 15 112.494 0.030 . 1 . . . . . 81 Asn ND2 . 28046 2 723 . 1 . 1 82 82 TYR H H 1 7.773 0.006 . 1 . . . . . 82 Tyr H . 28046 2 724 . 1 . 1 82 82 TYR HA H 1 4.496 0.004 . 1 . . . . . 82 Tyr HA . 28046 2 725 . 1 . 1 82 82 TYR HB2 H 1 2.890 0.007 . 2 . . . . . 82 Tyr HB2 . 28046 2 726 . 1 . 1 82 82 TYR HB3 H 1 3.090 0.015 . 2 . . . . . 82 Tyr HB3 . 28046 2 727 . 1 . 1 82 82 TYR HD1 H 1 6.914 0.014 . 1 . . . . . 82 Tyr HD1 . 28046 2 728 . 1 . 1 82 82 TYR HD2 H 1 6.914 0.014 . 1 . . . . . 82 Tyr HD2 . 28046 2 729 . 1 . 1 82 82 TYR HE1 H 1 6.696 0.009 . 1 . . . . . 82 Tyr HE1 . 28046 2 730 . 1 . 1 82 82 TYR HE2 H 1 6.696 0.009 . 1 . . . . . 82 Tyr HE2 . 28046 2 731 . 1 . 1 82 82 TYR CA C 13 58.806 0.076 . 1 . . . . . 82 Tyr CA . 28046 2 732 . 1 . 1 82 82 TYR CB C 13 37.093 0.055 . 1 . . . . . 82 Tyr CB . 28046 2 733 . 1 . 1 82 82 TYR CD1 C 13 132.136 0.059 . 1 . . . . . 82 Tyr CD1 . 28046 2 734 . 1 . 1 82 82 TYR CD2 C 13 132.136 0.059 . 1 . . . . . 82 Tyr CD2 . 28046 2 735 . 1 . 1 82 82 TYR CE1 C 13 117.964 0.032 . 1 . . . . . 82 Tyr CE1 . 28046 2 736 . 1 . 1 82 82 TYR CE2 C 13 117.964 0.032 . 1 . . . . . 82 Tyr CE2 . 28046 2 737 . 1 . 1 82 82 TYR N N 15 119.126 0.031 . 1 . . . . . 82 Tyr N . 28046 2 738 . 1 . 1 83 83 PHE H H 1 8.555 0.008 . 1 . . . . . 83 Phe H . 28046 2 739 . 1 . 1 83 83 PHE HA H 1 4.701 0.011 . 1 . . . . . 83 Phe HA . 28046 2 740 . 1 . 1 83 83 PHE HB2 H 1 3.027 0.012 . 2 . . . . . 83 Phe HB2 . 28046 2 741 . 1 . 1 83 83 PHE HB3 H 1 3.437 0.005 . 2 . . . . . 83 Phe HB3 . 28046 2 742 . 1 . 1 83 83 PHE HD1 H 1 7.018 0.007 . 1 . . . . . 83 Phe HD1 . 28046 2 743 . 1 . 1 83 83 PHE HD2 H 1 7.018 0.007 . 1 . . . . . 83 Phe HD2 . 28046 2 744 . 1 . 1 83 83 PHE HE1 H 1 7.302 0.007 . 1 . . . . . 83 Phe HE1 . 28046 2 745 . 1 . 1 83 83 PHE HE2 H 1 7.302 0.007 . 1 . . . . . 83 Phe HE2 . 28046 2 746 . 1 . 1 83 83 PHE HZ H 1 7.214 0.001 . 1 . . . . . 83 Phe HZ . 28046 2 747 . 1 . 1 83 83 PHE CA C 13 57.734 0.089 . 1 . . . . . 83 Phe CA . 28046 2 748 . 1 . 1 83 83 PHE CB C 13 37.010 0.035 . 1 . . . . . 83 Phe CB . 28046 2 749 . 1 . 1 83 83 PHE CD1 C 13 129.354 0.055 . 1 . . . . . 83 Phe CD1 . 28046 2 750 . 1 . 1 83 83 PHE CD2 C 13 129.354 0.055 . 1 . . . . . 83 Phe CD2 . 28046 2 751 . 1 . 1 83 83 PHE CE1 C 13 131.212 0.045 . 1 . . . . . 83 Phe CE1 . 28046 2 752 . 1 . 1 83 83 PHE CE2 C 13 131.212 0.045 . 1 . . . . . 83 Phe CE2 . 28046 2 753 . 1 . 1 83 83 PHE CZ C 13 131.696 0.009 . 1 . . . . . 83 Phe CZ . 28046 2 754 . 1 . 1 83 83 PHE N N 15 118.295 0.053 . 1 . . . . . 83 Phe N . 28046 2 755 . 1 . 1 84 84 ARG H H 1 8.280 0.005 . 1 . . . . . 84 Arg H . 28046 2 756 . 1 . 1 84 84 ARG HA H 1 3.796 0.007 . 1 . . . . . 84 Arg HA . 28046 2 757 . 1 . 1 84 84 ARG HB2 H 1 1.874 0.005 . 1 . . . . . 84 Arg HB2 . 28046 2 758 . 1 . 1 84 84 ARG HB3 H 1 1.874 0.005 . 1 . . . . . 84 Arg HB3 . 28046 2 759 . 1 . 1 84 84 ARG HG2 H 1 1.611 0.009 . 2 . . . . . 84 Arg HG2 . 28046 2 760 . 1 . 1 84 84 ARG HG3 H 1 1.760 0.008 . 2 . . . . . 84 Arg HG3 . 28046 2 761 . 1 . 1 84 84 ARG HD2 H 1 3.165 0.007 . 2 . . . . . 84 Arg HD2 . 28046 2 762 . 1 . 1 84 84 ARG HD3 H 1 3.232 0.013 . 2 . . . . . 84 Arg HD3 . 28046 2 763 . 1 . 1 84 84 ARG CA C 13 59.834 0.069 . 1 . . . . . 84 Arg CA . 28046 2 764 . 1 . 1 84 84 ARG CB C 13 30.032 0.056 . 1 . . . . . 84 Arg CB . 28046 2 765 . 1 . 1 84 84 ARG CG C 13 28.674 0.023 . 1 . . . . . 84 Arg CG . 28046 2 766 . 1 . 1 84 84 ARG CD C 13 43.158 0.117 . 1 . . . . . 84 Arg CD . 28046 2 767 . 1 . 1 84 84 ARG N N 15 117.585 0.051 . 1 . . . . . 84 Arg N . 28046 2 768 . 1 . 1 85 85 SER H H 1 7.452 0.004 . 1 . . . . . 85 Ser H . 28046 2 769 . 1 . 1 85 85 SER HA H 1 4.325 0.005 . 1 . . . . . 85 Ser HA . 28046 2 770 . 1 . 1 85 85 SER HB2 H 1 3.901 0.009 . 2 . . . . . 85 Ser HB2 . 28046 2 771 . 1 . 1 85 85 SER HB3 H 1 3.925 0.014 . 2 . . . . . 85 Ser HB3 . 28046 2 772 . 1 . 1 85 85 SER CA C 13 59.173 0.057 . 1 . . . . . 85 Ser CA . 28046 2 773 . 1 . 1 85 85 SER CB C 13 63.840 0.017 . 1 . . . . . 85 Ser CB . 28046 2 774 . 1 . 1 85 85 SER N N 15 110.790 0.032 . 1 . . . . . 85 Ser N . 28046 2 775 . 1 . 1 86 86 GLY H H 1 7.671 0.005 . 1 . . . . . 86 Gly H . 28046 2 776 . 1 . 1 86 86 GLY HA2 H 1 3.114 0.005 . 2 . . . . . 86 Gly HA2 . 28046 2 777 . 1 . 1 86 86 GLY HA3 H 1 3.588 0.004 . 2 . . . . . 86 Gly HA3 . 28046 2 778 . 1 . 1 86 86 GLY CA C 13 45.476 0.077 . 1 . . . . . 86 Gly CA . 28046 2 779 . 1 . 1 86 86 GLY N N 15 107.431 0.029 . 1 . . . . . 86 Gly N . 28046 2 780 . 1 . 1 87 87 GLU H H 1 7.973 0.012 . 1 . . . . . 87 Glu H . 28046 2 781 . 1 . 1 87 87 GLU HA H 1 4.462 0.008 . 1 . . . . . 87 Glu HA . 28046 2 782 . 1 . 1 87 87 GLU HB2 H 1 1.973 0.013 . 2 . . . . . 87 Glu HB2 . 28046 2 783 . 1 . 1 87 87 GLU HB3 H 1 2.392 0.015 . 2 . . . . . 87 Glu HB3 . 28046 2 784 . 1 . 1 87 87 GLU HG2 H 1 2.375 0.007 . 1 . . . . . 87 Glu HG2 . 28046 2 785 . 1 . 1 87 87 GLU HG3 H 1 2.375 0.007 . 1 . . . . . 87 Glu HG3 . 28046 2 786 . 1 . 1 87 87 GLU CA C 13 55.426 0.062 . 1 . . . . . 87 Glu CA . 28046 2 787 . 1 . 1 87 87 GLU CB C 13 30.545 0.056 . 1 . . . . . 87 Glu CB . 28046 2 788 . 1 . 1 87 87 GLU CG C 13 36.342 0.000 . 1 . . . . . 87 Glu CG . 28046 2 789 . 1 . 1 87 87 GLU N N 15 118.435 0.026 . 1 . . . . . 87 Glu N . 28046 2 790 . 1 . 1 88 88 GLY H H 1 7.392 0.005 . 1 . . . . . 88 Gly H . 28046 2 791 . 1 . 1 88 88 GLY HA2 H 1 3.070 0.009 . 2 . . . . . 88 Gly HA2 . 28046 2 792 . 1 . 1 88 88 GLY HA3 H 1 4.890 0.010 . 2 . . . . . 88 Gly HA3 . 28046 2 793 . 1 . 1 88 88 GLY CA C 13 45.398 0.062 . 1 . . . . . 88 Gly CA . 28046 2 794 . 1 . 1 88 88 GLY N N 15 102.090 0.055 . 1 . . . . . 88 Gly N . 28046 2 795 . 1 . 1 89 89 PHE H H 1 8.011 0.008 . 1 . . . . . 89 Phe H . 28046 2 796 . 1 . 1 89 89 PHE HA H 1 4.915 0.005 . 1 . . . . . 89 Phe HA . 28046 2 797 . 1 . 1 89 89 PHE HB2 H 1 2.204 0.005 . 2 . . . . . 89 Phe HB2 . 28046 2 798 . 1 . 1 89 89 PHE HB3 H 1 2.512 0.007 . 2 . . . . . 89 Phe HB3 . 28046 2 799 . 1 . 1 89 89 PHE HD1 H 1 6.938 0.012 . 1 . . . . . 89 Phe HD1 . 28046 2 800 . 1 . 1 89 89 PHE HD2 H 1 6.938 0.012 . 1 . . . . . 89 Phe HD2 . 28046 2 801 . 1 . 1 89 89 PHE HE1 H 1 6.805 0.005 . 1 . . . . . 89 Phe HE1 . 28046 2 802 . 1 . 1 89 89 PHE HE2 H 1 6.805 0.005 . 1 . . . . . 89 Phe HE2 . 28046 2 803 . 1 . 1 89 89 PHE HZ H 1 7.514 0.010 . 1 . . . . . 89 Phe HZ . 28046 2 804 . 1 . 1 89 89 PHE CA C 13 57.143 0.095 . 1 . . . . . 89 Phe CA . 28046 2 805 . 1 . 1 89 89 PHE CB C 13 42.473 0.060 . 1 . . . . . 89 Phe CB . 28046 2 806 . 1 . 1 89 89 PHE CD1 C 13 131.967 0.123 . 1 . . . . . 89 Phe CD1 . 28046 2 807 . 1 . 1 89 89 PHE CD2 C 13 131.967 0.123 . 1 . . . . . 89 Phe CD2 . 28046 2 808 . 1 . 1 89 89 PHE CE1 C 13 130.427 0.070 . 1 . . . . . 89 Phe CE1 . 28046 2 809 . 1 . 1 89 89 PHE CE2 C 13 130.427 0.070 . 1 . . . . . 89 Phe CE2 . 28046 2 810 . 1 . 1 89 89 PHE CZ C 13 129.268 0.011 . 1 . . . . . 89 Phe CZ . 28046 2 811 . 1 . 1 89 89 PHE N N 15 119.470 0.050 . 1 . . . . . 89 Phe N . 28046 2 812 . 1 . 1 90 90 LEU H H 1 8.105 0.005 . 1 . . . . . 90 Leu H . 28046 2 813 . 1 . 1 90 90 LEU HA H 1 4.310 0.006 . 1 . . . . . 90 Leu HA . 28046 2 814 . 1 . 1 90 90 LEU HB2 H 1 1.640 0.006 . 2 . . . . . 90 Leu HB2 . 28046 2 815 . 1 . 1 90 90 LEU HB3 H 1 0.815 0.014 . 2 . . . . . 90 Leu HB3 . 28046 2 816 . 1 . 1 90 90 LEU HG H 1 0.983 0.010 . 1 . . . . . 90 Leu HG . 28046 2 817 . 1 . 1 90 90 LEU HD11 H 1 -0.269 0.007 . 2 . . . . . 90 Leu HD11 . 28046 2 818 . 1 . 1 90 90 LEU HD12 H 1 -0.269 0.007 . 2 . . . . . 90 Leu HD12 . 28046 2 819 . 1 . 1 90 90 LEU HD13 H 1 -0.269 0.007 . 2 . . . . . 90 Leu HD13 . 28046 2 820 . 1 . 1 90 90 LEU HD21 H 1 0.299 0.007 . 2 . . . . . 90 Leu HD21 . 28046 2 821 . 1 . 1 90 90 LEU HD22 H 1 0.299 0.007 . 2 . . . . . 90 Leu HD22 . 28046 2 822 . 1 . 1 90 90 LEU HD23 H 1 0.299 0.007 . 2 . . . . . 90 Leu HD23 . 28046 2 823 . 1 . 1 90 90 LEU CA C 13 53.266 0.059 . 1 . . . . . 90 Leu CA . 28046 2 824 . 1 . 1 90 90 LEU CB C 13 40.930 0.068 . 1 . . . . . 90 Leu CB . 28046 2 825 . 1 . 1 90 90 LEU CG C 13 25.876 0.067 . 1 . . . . . 90 Leu CG . 28046 2 826 . 1 . 1 90 90 LEU CD1 C 13 25.600 0.025 . 2 . . . . . 90 Leu CD1 . 28046 2 827 . 1 . 1 90 90 LEU CD2 C 13 25.919 0.029 . 2 . . . . . 90 Leu CD2 . 28046 2 828 . 1 . 1 90 90 LEU N N 15 123.470 0.065 . 1 . . . . . 90 Leu N . 28046 2 829 . 1 . 1 91 91 CYS H H 1 8.158 0.005 . 1 . . . . . 91 Cys H . 28046 2 830 . 1 . 1 91 91 CYS HA H 1 4.636 0.001 . 1 . . . . . 91 Cys HA . 28046 2 831 . 1 . 1 91 91 CYS HB2 H 1 1.409 0.009 . 2 . . . . . 91 Cys HB2 . 28046 2 832 . 1 . 1 91 91 CYS HB3 H 1 2.716 0.006 . 2 . . . . . 91 Cys HB3 . 28046 2 833 . 1 . 1 91 91 CYS HG H 1 1.108 0.011 . 1 . . . . . 91 Cys HG . 28046 2 834 . 1 . 1 91 91 CYS CA C 13 56.871 0.060 . 1 . . . . . 91 Cys CA . 28046 2 835 . 1 . 1 91 91 CYS CB C 13 28.073 0.061 . 1 . . . . . 91 Cys CB . 28046 2 836 . 1 . 1 91 91 CYS N N 15 125.418 0.022 . 1 . . . . . 91 Cys N . 28046 2 837 . 1 . 1 92 92 VAL H H 1 9.180 0.007 . 1 . . . . . 92 Val H . 28046 2 838 . 1 . 1 92 92 VAL HA H 1 5.011 0.008 . 1 . . . . . 92 Val HA . 28046 2 839 . 1 . 1 92 92 VAL HB H 1 1.687 0.007 . 1 . . . . . 92 Val HB . 28046 2 840 . 1 . 1 92 92 VAL HG11 H 1 0.514 0.007 . 2 . . . . . 92 Val HG11 . 28046 2 841 . 1 . 1 92 92 VAL HG12 H 1 0.514 0.007 . 2 . . . . . 92 Val HG12 . 28046 2 842 . 1 . 1 92 92 VAL HG13 H 1 0.514 0.007 . 2 . . . . . 92 Val HG13 . 28046 2 843 . 1 . 1 92 92 VAL HG21 H 1 0.606 0.005 . 2 . . . . . 92 Val HG21 . 28046 2 844 . 1 . 1 92 92 VAL HG22 H 1 0.606 0.005 . 2 . . . . . 92 Val HG22 . 28046 2 845 . 1 . 1 92 92 VAL HG23 H 1 0.606 0.005 . 2 . . . . . 92 Val HG23 . 28046 2 846 . 1 . 1 92 92 VAL CA C 13 60.529 0.060 . 1 . . . . . 92 Val CA . 28046 2 847 . 1 . 1 92 92 VAL CB C 13 33.202 0.066 . 1 . . . . . 92 Val CB . 28046 2 848 . 1 . 1 92 92 VAL CG1 C 13 22.747 0.039 . 2 . . . . . 92 Val CG1 . 28046 2 849 . 1 . 1 92 92 VAL CG2 C 13 21.493 0.040 . 2 . . . . . 92 Val CG2 . 28046 2 850 . 1 . 1 92 92 VAL N N 15 129.217 0.028 . 1 . . . . . 92 Val N . 28046 2 851 . 1 . 1 93 93 PHE H H 1 9.291 0.005 . 1 . . . . . 93 Phe H . 28046 2 852 . 1 . 1 93 93 PHE HA H 1 4.876 0.008 . 1 . . . . . 93 Phe HA . 28046 2 853 . 1 . 1 93 93 PHE HB2 H 1 2.760 0.009 . 2 . . . . . 93 Phe HB2 . 28046 2 854 . 1 . 1 93 93 PHE HB3 H 1 3.511 0.010 . 2 . . . . . 93 Phe HB3 . 28046 2 855 . 1 . 1 93 93 PHE HD1 H 1 7.311 0.007 . 1 . . . . . 93 Phe HD1 . 28046 2 856 . 1 . 1 93 93 PHE HD2 H 1 7.311 0.007 . 1 . . . . . 93 Phe HD2 . 28046 2 857 . 1 . 1 93 93 PHE HE1 H 1 6.892 0.012 . 1 . . . . . 93 Phe HE1 . 28046 2 858 . 1 . 1 93 93 PHE HE2 H 1 6.892 0.012 . 1 . . . . . 93 Phe HE2 . 28046 2 859 . 1 . 1 93 93 PHE HZ H 1 7.291 0.010 . 1 . . . . . 93 Phe HZ . 28046 2 860 . 1 . 1 93 93 PHE CA C 13 55.034 0.097 . 1 . . . . . 93 Phe CA . 28046 2 861 . 1 . 1 93 93 PHE CB C 13 40.280 0.067 . 1 . . . . . 93 Phe CB . 28046 2 862 . 1 . 1 93 93 PHE CD1 C 13 133.533 0.038 . 1 . . . . . 93 Phe CD1 . 28046 2 863 . 1 . 1 93 93 PHE CD2 C 13 133.533 0.038 . 1 . . . . . 93 Phe CD2 . 28046 2 864 . 1 . 1 93 93 PHE CE1 C 13 130.589 0.045 . 1 . . . . . 93 Phe CE1 . 28046 2 865 . 1 . 1 93 93 PHE CE2 C 13 130.589 0.045 . 1 . . . . . 93 Phe CE2 . 28046 2 866 . 1 . 1 93 93 PHE CZ C 13 129.900 0.074 . 1 . . . . . 93 Phe CZ . 28046 2 867 . 1 . 1 93 93 PHE N N 15 122.458 0.043 . 1 . . . . . 93 Phe N . 28046 2 868 . 1 . 1 94 94 SER H H 1 8.940 0.002 . 1 . . . . . 94 Ser H . 28046 2 869 . 1 . 1 94 94 SER HA H 1 4.838 0.009 . 1 . . . . . 94 Ser HA . 28046 2 870 . 1 . 1 94 94 SER HB2 H 1 3.507 0.005 . 2 . . . . . 94 Ser HB2 . 28046 2 871 . 1 . 1 94 94 SER HB3 H 1 3.753 0.007 . 2 . . . . . 94 Ser HB3 . 28046 2 872 . 1 . 1 94 94 SER CA C 13 54.112 0.041 . 1 . . . . . 94 Ser CA . 28046 2 873 . 1 . 1 94 94 SER CB C 13 64.441 0.012 . 1 . . . . . 94 Ser CB . 28046 2 874 . 1 . 1 94 94 SER N N 15 112.451 0.038 . 1 . . . . . 94 Ser N . 28046 2 875 . 1 . 1 95 95 ILE H H 1 8.684 0.005 . 1 . . . . . 95 Ile H . 28046 2 876 . 1 . 1 95 95 ILE HA H 1 4.079 0.006 . 1 . . . . . 95 Ile HA . 28046 2 877 . 1 . 1 95 95 ILE HB H 1 2.017 0.006 . 1 . . . . . 95 Ile HB . 28046 2 878 . 1 . 1 95 95 ILE HG12 H 1 0.840 0.005 . 2 . . . . . 95 Ile HG12 . 28046 2 879 . 1 . 1 95 95 ILE HG13 H 1 1.010 0.011 . 2 . . . . . 95 Ile HG13 . 28046 2 880 . 1 . 1 95 95 ILE HG21 H 1 0.718 0.005 . 1 . . . . . 95 Ile HG21 . 28046 2 881 . 1 . 1 95 95 ILE HG22 H 1 0.718 0.005 . 1 . . . . . 95 Ile HG22 . 28046 2 882 . 1 . 1 95 95 ILE HG23 H 1 0.718 0.005 . 1 . . . . . 95 Ile HG23 . 28046 2 883 . 1 . 1 95 95 ILE HD11 H 1 0.457 0.005 . 1 . . . . . 95 Ile HD11 . 28046 2 884 . 1 . 1 95 95 ILE HD12 H 1 0.457 0.005 . 1 . . . . . 95 Ile HD12 . 28046 2 885 . 1 . 1 95 95 ILE HD13 H 1 0.457 0.005 . 1 . . . . . 95 Ile HD13 . 28046 2 886 . 1 . 1 95 95 ILE CA C 13 64.272 0.056 . 1 . . . . . 95 Ile CA . 28046 2 887 . 1 . 1 95 95 ILE CB C 13 38.019 0.072 . 1 . . . . . 95 Ile CB . 28046 2 888 . 1 . 1 95 95 ILE CG1 C 13 26.202 0.032 . 1 . . . . . 95 Ile CG1 . 28046 2 889 . 1 . 1 95 95 ILE CG2 C 13 18.132 0.037 . 1 . . . . . 95 Ile CG2 . 28046 2 890 . 1 . 1 95 95 ILE CD1 C 13 15.046 0.065 . 1 . . . . . 95 Ile CD1 . 28046 2 891 . 1 . 1 95 95 ILE N N 15 121.499 0.038 . 1 . . . . . 95 Ile N . 28046 2 892 . 1 . 1 96 96 THR H H 1 8.182 0.005 . 1 . . . . . 96 Thr H . 28046 2 893 . 1 . 1 96 96 THR HA H 1 4.446 0.007 . 1 . . . . . 96 Thr HA . 28046 2 894 . 1 . 1 96 96 THR HB H 1 4.470 0.013 . 1 . . . . . 96 Thr HB . 28046 2 895 . 1 . 1 96 96 THR HG21 H 1 0.960 0.011 . 1 . . . . . 96 Thr HG21 . 28046 2 896 . 1 . 1 96 96 THR HG22 H 1 0.960 0.011 . 1 . . . . . 96 Thr HG22 . 28046 2 897 . 1 . 1 96 96 THR HG23 H 1 0.960 0.011 . 1 . . . . . 96 Thr HG23 . 28046 2 898 . 1 . 1 96 96 THR CA C 13 61.428 0.112 . 1 . . . . . 96 Thr CA . 28046 2 899 . 1 . 1 96 96 THR CB C 13 68.668 0.035 . 1 . . . . . 96 Thr CB . 28046 2 900 . 1 . 1 96 96 THR CG2 C 13 24.090 0.028 . 1 . . . . . 96 Thr CG2 . 28046 2 901 . 1 . 1 96 96 THR N N 15 111.080 0.036 . 1 . . . . . 96 Thr N . 28046 2 902 . 1 . 1 97 97 GLU H H 1 7.718 0.005 . 1 . . . . . 97 Glu H . 28046 2 903 . 1 . 1 97 97 GLU HA H 1 4.858 0.006 . 1 . . . . . 97 Glu HA . 28046 2 904 . 1 . 1 97 97 GLU HB2 H 1 1.758 0.005 . 2 . . . . . 97 Glu HB2 . 28046 2 905 . 1 . 1 97 97 GLU HB3 H 1 2.154 0.006 . 2 . . . . . 97 Glu HB3 . 28046 2 906 . 1 . 1 97 97 GLU HG2 H 1 2.154 0.005 . 2 . . . . . 97 Glu HG2 . 28046 2 907 . 1 . 1 97 97 GLU HG3 H 1 2.325 0.005 . 2 . . . . . 97 Glu HG3 . 28046 2 908 . 1 . 1 97 97 GLU CA C 13 54.212 0.049 . 1 . . . . . 97 Glu CA . 28046 2 909 . 1 . 1 97 97 GLU CB C 13 32.312 0.060 . 1 . . . . . 97 Glu CB . 28046 2 910 . 1 . 1 97 97 GLU CG C 13 36.505 0.040 . 1 . . . . . 97 Glu CG . 28046 2 911 . 1 . 1 97 97 GLU N N 15 120.783 0.042 . 1 . . . . . 97 Glu N . 28046 2 912 . 1 . 1 98 98 MET H H 1 9.577 0.002 . 1 . . . . . 98 Met H . 28046 2 913 . 1 . 1 98 98 MET HA H 1 4.252 0.009 . 1 . . . . . 98 Met HA . 28046 2 914 . 1 . 1 98 98 MET HB2 H 1 2.071 0.009 . 2 . . . . . 98 Met HB2 . 28046 2 915 . 1 . 1 98 98 MET HB3 H 1 2.102 0.006 . 2 . . . . . 98 Met HB3 . 28046 2 916 . 1 . 1 98 98 MET HG2 H 1 2.573 0.005 . 2 . . . . . 98 Met HG2 . 28046 2 917 . 1 . 1 98 98 MET HG3 H 1 2.665 0.005 . 2 . . . . . 98 Met HG3 . 28046 2 918 . 1 . 1 98 98 MET HE1 H 1 2.083 0.005 . 1 . . . . . 98 Met HE1 . 28046 2 919 . 1 . 1 98 98 MET HE2 H 1 2.083 0.005 . 1 . . . . . 98 Met HE2 . 28046 2 920 . 1 . 1 98 98 MET HE3 H 1 2.083 0.005 . 1 . . . . . 98 Met HE3 . 28046 2 921 . 1 . 1 98 98 MET CA C 13 58.435 0.039 . 1 . . . . . 98 Met CA . 28046 2 922 . 1 . 1 98 98 MET CB C 13 30.945 0.049 . 1 . . . . . 98 Met CB . 28046 2 923 . 1 . 1 98 98 MET CG C 13 31.872 0.086 . 1 . . . . . 98 Met CG . 28046 2 924 . 1 . 1 98 98 MET CE C 13 16.989 0.013 . 1 . . . . . 98 Met CE . 28046 2 925 . 1 . 1 98 98 MET N N 15 131.387 0.030 . 1 . . . . . 98 Met N . 28046 2 926 . 1 . 1 99 99 GLU H H 1 9.903 0.004 . 1 . . . . . 99 Glu H . 28046 2 927 . 1 . 1 99 99 GLU HA H 1 4.097 0.005 . 1 . . . . . 99 Glu HA . 28046 2 928 . 1 . 1 99 99 GLU HB2 H 1 1.995 0.003 . 2 . . . . . 99 Glu HB2 . 28046 2 929 . 1 . 1 99 99 GLU HB3 H 1 2.048 0.004 . 2 . . . . . 99 Glu HB3 . 28046 2 930 . 1 . 1 99 99 GLU HG2 H 1 2.349 0.006 . 2 . . . . . 99 Glu HG2 . 28046 2 931 . 1 . 1 99 99 GLU HG3 H 1 2.360 0.011 . 2 . . . . . 99 Glu HG3 . 28046 2 932 . 1 . 1 99 99 GLU CA C 13 60.146 0.056 . 1 . . . . . 99 Glu CA . 28046 2 933 . 1 . 1 99 99 GLU CB C 13 28.765 0.039 . 1 . . . . . 99 Glu CB . 28046 2 934 . 1 . 1 99 99 GLU CG C 13 36.617 0.023 . 1 . . . . . 99 Glu CG . 28046 2 935 . 1 . 1 99 99 GLU N N 15 119.911 0.032 . 1 . . . . . 99 Glu N . 28046 2 936 . 1 . 1 100 100 SER H H 1 7.607 0.006 . 1 . . . . . 100 Ser H . 28046 2 937 . 1 . 1 100 100 SER HA H 1 4.596 0.012 . 1 . . . . . 100 Ser HA . 28046 2 938 . 1 . 1 100 100 SER HB2 H 1 4.295 0.009 . 1 . . . . . 100 Ser HB2 . 28046 2 939 . 1 . 1 100 100 SER HB3 H 1 4.295 0.009 . 1 . . . . . 100 Ser HB3 . 28046 2 940 . 1 . 1 100 100 SER HG H 1 6.206 0.010 . 1 . . . . . 100 Ser HG . 28046 2 941 . 1 . 1 100 100 SER CA C 13 60.702 0.062 . 1 . . . . . 100 Ser CA . 28046 2 942 . 1 . 1 100 100 SER CB C 13 63.228 0.024 . 1 . . . . . 100 Ser CB . 28046 2 943 . 1 . 1 100 100 SER N N 15 115.484 0.038 . 1 . . . . . 100 Ser N . 28046 2 944 . 1 . 1 101 101 PHE H H 1 7.384 0.005 . 1 . . . . . 101 Phe H . 28046 2 945 . 1 . 1 101 101 PHE HA H 1 3.878 0.010 . 1 . . . . . 101 Phe HA . 28046 2 946 . 1 . 1 101 101 PHE HB2 H 1 2.681 0.008 . 2 . . . . . 101 Phe HB2 . 28046 2 947 . 1 . 1 101 101 PHE HB3 H 1 3.214 0.006 . 2 . . . . . 101 Phe HB3 . 28046 2 948 . 1 . 1 101 101 PHE HD1 H 1 5.942 0.012 . 1 . . . . . 101 Phe HD1 . 28046 2 949 . 1 . 1 101 101 PHE HD2 H 1 5.942 0.012 . 1 . . . . . 101 Phe HD2 . 28046 2 950 . 1 . 1 101 101 PHE HE1 H 1 6.664 0.005 . 1 . . . . . 101 Phe HE1 . 28046 2 951 . 1 . 1 101 101 PHE HE2 H 1 6.664 0.005 . 1 . . . . . 101 Phe HE2 . 28046 2 952 . 1 . 1 101 101 PHE HZ H 1 6.542 0.014 . 1 . . . . . 101 Phe HZ . 28046 2 953 . 1 . 1 101 101 PHE CA C 13 59.601 0.062 . 1 . . . . . 101 Phe CA . 28046 2 954 . 1 . 1 101 101 PHE CB C 13 39.353 0.050 . 1 . . . . . 101 Phe CB . 28046 2 955 . 1 . 1 101 101 PHE CD1 C 13 131.538 0.000 . 1 . . . . . 101 Phe CD1 . 28046 2 956 . 1 . 1 101 101 PHE CD2 C 13 131.538 0.000 . 1 . . . . . 101 Phe CD2 . 28046 2 957 . 1 . 1 101 101 PHE CE1 C 13 129.799 0.071 . 1 . . . . . 101 Phe CE1 . 28046 2 958 . 1 . 1 101 101 PHE CE2 C 13 129.799 0.071 . 1 . . . . . 101 Phe CE2 . 28046 2 959 . 1 . 1 101 101 PHE CZ C 13 128.336 0.064 . 1 . . . . . 101 Phe CZ . 28046 2 960 . 1 . 1 101 101 PHE N N 15 126.155 0.026 . 1 . . . . . 101 Phe N . 28046 2 961 . 1 . 1 102 102 ALA H H 1 8.667 0.004 . 1 . . . . . 102 Ala H . 28046 2 962 . 1 . 1 102 102 ALA HA H 1 3.890 0.004 . 1 . . . . . 102 Ala HA . 28046 2 963 . 1 . 1 102 102 ALA HB1 H 1 1.443 0.006 . 1 . . . . . 102 Ala HB1 . 28046 2 964 . 1 . 1 102 102 ALA HB2 H 1 1.443 0.006 . 1 . . . . . 102 Ala HB2 . 28046 2 965 . 1 . 1 102 102 ALA HB3 H 1 1.443 0.006 . 1 . . . . . 102 Ala HB3 . 28046 2 966 . 1 . 1 102 102 ALA CA C 13 55.144 0.041 . 1 . . . . . 102 Ala CA . 28046 2 967 . 1 . 1 102 102 ALA CB C 13 17.272 0.060 . 1 . . . . . 102 Ala CB . 28046 2 968 . 1 . 1 102 102 ALA N N 15 126.265 0.030 . 1 . . . . . 102 Ala N . 28046 2 969 . 1 . 1 103 103 ALA H H 1 7.533 0.003 . 1 . . . . . 103 Ala H . 28046 2 970 . 1 . 1 103 103 ALA HA H 1 4.145 0.004 . 1 . . . . . 103 Ala HA . 28046 2 971 . 1 . 1 103 103 ALA HB1 H 1 1.578 0.005 . 1 . . . . . 103 Ala HB1 . 28046 2 972 . 1 . 1 103 103 ALA HB2 H 1 1.578 0.005 . 1 . . . . . 103 Ala HB2 . 28046 2 973 . 1 . 1 103 103 ALA HB3 H 1 1.578 0.005 . 1 . . . . . 103 Ala HB3 . 28046 2 974 . 1 . 1 103 103 ALA CA C 13 53.997 0.037 . 1 . . . . . 103 Ala CA . 28046 2 975 . 1 . 1 103 103 ALA CB C 13 18.560 0.033 . 1 . . . . . 103 Ala CB . 28046 2 976 . 1 . 1 103 103 ALA N N 15 117.238 0.053 . 1 . . . . . 103 Ala N . 28046 2 977 . 1 . 1 104 104 THR H H 1 7.417 0.003 . 1 . . . . . 104 Thr H . 28046 2 978 . 1 . 1 104 104 THR HA H 1 3.998 0.012 . 1 . . . . . 104 Thr HA . 28046 2 979 . 1 . 1 104 104 THR HB H 1 4.341 0.006 . 1 . . . . . 104 Thr HB . 28046 2 980 . 1 . 1 104 104 THR HG21 H 1 1.673 0.007 . 1 . . . . . 104 Thr HG21 . 28046 2 981 . 1 . 1 104 104 THR HG22 H 1 1.673 0.007 . 1 . . . . . 104 Thr HG22 . 28046 2 982 . 1 . 1 104 104 THR HG23 H 1 1.673 0.007 . 1 . . . . . 104 Thr HG23 . 28046 2 983 . 1 . 1 104 104 THR CA C 13 66.126 0.064 . 1 . . . . . 104 Thr CA . 28046 2 984 . 1 . 1 104 104 THR CB C 13 69.309 0.072 . 1 . . . . . 104 Thr CB . 28046 2 985 . 1 . 1 104 104 THR CG2 C 13 23.553 0.027 . 1 . . . . . 104 Thr CG2 . 28046 2 986 . 1 . 1 104 104 THR N N 15 107.451 0.029 . 1 . . . . . 104 Thr N . 28046 2 987 . 1 . 1 105 105 ALA H H 1 6.940 0.006 . 1 . . . . . 105 Ala H . 28046 2 988 . 1 . 1 105 105 ALA HA H 1 4.258 0.007 . 1 . . . . . 105 Ala HA . 28046 2 989 . 1 . 1 105 105 ALA HB1 H 1 1.475 0.004 . 1 . . . . . 105 Ala HB1 . 28046 2 990 . 1 . 1 105 105 ALA HB2 H 1 1.475 0.004 . 1 . . . . . 105 Ala HB2 . 28046 2 991 . 1 . 1 105 105 ALA HB3 H 1 1.475 0.004 . 1 . . . . . 105 Ala HB3 . 28046 2 992 . 1 . 1 105 105 ALA CA C 13 54.999 0.050 . 1 . . . . . 105 Ala CA . 28046 2 993 . 1 . 1 105 105 ALA CB C 13 18.206 0.044 . 1 . . . . . 105 Ala CB . 28046 2 994 . 1 . 1 105 105 ALA N N 15 122.261 0.028 . 1 . . . . . 105 Ala N . 28046 2 995 . 1 . 1 106 106 ASP H H 1 7.269 0.004 . 1 . . . . . 106 Asp H . 28046 2 996 . 1 . 1 106 106 ASP HA H 1 4.308 0.006 . 1 . . . . . 106 Asp HA . 28046 2 997 . 1 . 1 106 106 ASP HB2 H 1 2.392 0.004 . 2 . . . . . 106 Asp HB2 . 28046 2 998 . 1 . 1 106 106 ASP HB3 H 1 2.501 0.002 . 2 . . . . . 106 Asp HB3 . 28046 2 999 . 1 . 1 106 106 ASP CA C 13 56.697 0.080 . 1 . . . . . 106 Asp CA . 28046 2 1000 . 1 . 1 106 106 ASP CB C 13 39.961 0.048 . 1 . . . . . 106 Asp CB . 28046 2 1001 . 1 . 1 106 106 ASP N N 15 118.842 0.033 . 1 . . . . . 106 Asp N . 28046 2 1002 . 1 . 1 107 107 PHE H H 1 7.518 0.010 . 1 . . . . . 107 Phe H . 28046 2 1003 . 1 . 1 107 107 PHE HA H 1 4.205 0.006 . 1 . . . . . 107 Phe HA . 28046 2 1004 . 1 . 1 107 107 PHE HB2 H 1 2.851 0.004 . 1 . . . . . 107 Phe HB2 . 28046 2 1005 . 1 . 1 107 107 PHE HB3 H 1 2.851 0.004 . 1 . . . . . 107 Phe HB3 . 28046 2 1006 . 1 . 1 107 107 PHE HD1 H 1 7.133 0.010 . 1 . . . . . 107 Phe HD1 . 28046 2 1007 . 1 . 1 107 107 PHE HD2 H 1 7.133 0.010 . 1 . . . . . 107 Phe HD2 . 28046 2 1008 . 1 . 1 107 107 PHE HE1 H 1 7.424 0.005 . 1 . . . . . 107 Phe HE1 . 28046 2 1009 . 1 . 1 107 107 PHE HE2 H 1 7.424 0.005 . 1 . . . . . 107 Phe HE2 . 28046 2 1010 . 1 . 1 107 107 PHE HZ H 1 7.191 0.001 . 1 . . . . . 107 Phe HZ . 28046 2 1011 . 1 . 1 107 107 PHE CA C 13 61.591 0.067 . 1 . . . . . 107 Phe CA . 28046 2 1012 . 1 . 1 107 107 PHE CB C 13 38.746 0.060 . 1 . . . . . 107 Phe CB . 28046 2 1013 . 1 . 1 107 107 PHE CD1 C 13 130.804 0.057 . 1 . . . . . 107 Phe CD1 . 28046 2 1014 . 1 . 1 107 107 PHE CD2 C 13 130.804 0.057 . 1 . . . . . 107 Phe CD2 . 28046 2 1015 . 1 . 1 107 107 PHE CE1 C 13 131.610 0.065 . 1 . . . . . 107 Phe CE1 . 28046 2 1016 . 1 . 1 107 107 PHE CE2 C 13 131.610 0.065 . 1 . . . . . 107 Phe CE2 . 28046 2 1017 . 1 . 1 107 107 PHE CZ C 13 129.955 0.005 . 1 . . . . . 107 Phe CZ . 28046 2 1018 . 1 . 1 107 107 PHE N N 15 116.740 0.059 . 1 . . . . . 107 Phe N . 28046 2 1019 . 1 . 1 108 108 ARG H H 1 8.225 0.005 . 1 . . . . . 108 Arg H . 28046 2 1020 . 1 . 1 108 108 ARG HA H 1 3.378 0.007 . 1 . . . . . 108 Arg HA . 28046 2 1021 . 1 . 1 108 108 ARG HB2 H 1 0.853 0.011 . 2 . . . . . 108 Arg HB2 . 28046 2 1022 . 1 . 1 108 108 ARG HB3 H 1 1.251 0.008 . 2 . . . . . 108 Arg HB3 . 28046 2 1023 . 1 . 1 108 108 ARG HG2 H 1 0.247 0.009 . 1 . . . . . 108 Arg HG2 . 28046 2 1024 . 1 . 1 108 108 ARG HG3 H 1 0.247 0.009 . 1 . . . . . 108 Arg HG3 . 28046 2 1025 . 1 . 1 108 108 ARG HD2 H 1 0.533 0.006 . 2 . . . . . 108 Arg HD2 . 28046 2 1026 . 1 . 1 108 108 ARG HD3 H 1 0.831 0.006 . 2 . . . . . 108 Arg HD3 . 28046 2 1027 . 1 . 1 108 108 ARG HE H 1 6.347 0.004 . 1 . . . . . 108 Arg HE . 28046 2 1028 . 1 . 1 108 108 ARG CA C 13 59.801 0.072 . 1 . . . . . 108 Arg CA . 28046 2 1029 . 1 . 1 108 108 ARG CB C 13 28.994 0.099 . 1 . . . . . 108 Arg CB . 28046 2 1030 . 1 . 1 108 108 ARG CG C 13 26.052 0.048 . 1 . . . . . 108 Arg CG . 28046 2 1031 . 1 . 1 108 108 ARG CD C 13 41.201 0.045 . 1 . . . . . 108 Arg CD . 28046 2 1032 . 1 . 1 108 108 ARG N N 15 117.102 0.024 . 1 . . . . . 108 Arg N . 28046 2 1033 . 1 . 1 108 108 ARG NE N 15 84.378 0.022 . 1 . . . . . 108 Arg NE . 28046 2 1034 . 1 . 1 109 109 GLU H H 1 7.441 0.006 . 1 . . . . . 109 Glu H . 28046 2 1035 . 1 . 1 109 109 GLU HA H 1 3.634 0.006 . 1 . . . . . 109 Glu HA . 28046 2 1036 . 1 . 1 109 109 GLU HB2 H 1 1.991 0.003 . 1 . . . . . 109 Glu HB2 . 28046 2 1037 . 1 . 1 109 109 GLU HB3 H 1 1.991 0.003 . 1 . . . . . 109 Glu HB3 . 28046 2 1038 . 1 . 1 109 109 GLU HG2 H 1 2.095 0.006 . 2 . . . . . 109 Glu HG2 . 28046 2 1039 . 1 . 1 109 109 GLU HG3 H 1 2.212 0.004 . 2 . . . . . 109 Glu HG3 . 28046 2 1040 . 1 . 1 109 109 GLU CA C 13 59.277 0.031 . 1 . . . . . 109 Glu CA . 28046 2 1041 . 1 . 1 109 109 GLU CB C 13 29.066 0.064 . 1 . . . . . 109 Glu CB . 28046 2 1042 . 1 . 1 109 109 GLU CG C 13 35.732 0.037 . 1 . . . . . 109 Glu CG . 28046 2 1043 . 1 . 1 109 109 GLU N N 15 116.623 0.029 . 1 . . . . . 109 Glu N . 28046 2 1044 . 1 . 1 110 110 GLN H H 1 7.799 0.003 . 1 . . . . . 110 Gln H . 28046 2 1045 . 1 . 1 110 110 GLN HA H 1 3.870 0.005 . 1 . . . . . 110 Gln HA . 28046 2 1046 . 1 . 1 110 110 GLN HB2 H 1 2.129 0.011 . 2 . . . . . 110 Gln HB2 . 28046 2 1047 . 1 . 1 110 110 GLN HB3 H 1 2.191 0.008 . 2 . . . . . 110 Gln HB3 . 28046 2 1048 . 1 . 1 110 110 GLN HG2 H 1 2.370 0.006 . 2 . . . . . 110 Gln HG2 . 28046 2 1049 . 1 . 1 110 110 GLN HG3 H 1 2.468 0.005 . 2 . . . . . 110 Gln HG3 . 28046 2 1050 . 1 . 1 110 110 GLN HE21 H 1 7.353 0.011 . 1 . . . . . 110 Gln HE21 . 28046 2 1051 . 1 . 1 110 110 GLN HE22 H 1 6.357 0.004 . 1 . . . . . 110 Gln HE22 . 28046 2 1052 . 1 . 1 110 110 GLN CA C 13 58.591 0.013 . 1 . . . . . 110 Gln CA . 28046 2 1053 . 1 . 1 110 110 GLN CB C 13 28.321 0.068 . 1 . . . . . 110 Gln CB . 28046 2 1054 . 1 . 1 110 110 GLN CG C 13 32.969 0.046 . 1 . . . . . 110 Gln CG . 28046 2 1055 . 1 . 1 110 110 GLN N N 15 117.749 0.038 . 1 . . . . . 110 Gln N . 28046 2 1056 . 1 . 1 110 110 GLN NE2 N 15 109.882 0.013 . 1 . . . . . 110 Gln NE2 . 28046 2 1057 . 1 . 1 111 111 ILE H H 1 7.970 0.009 . 1 . . . . . 111 Ile H . 28046 2 1058 . 1 . 1 111 111 ILE HA H 1 2.970 0.008 . 1 . . . . . 111 Ile HA . 28046 2 1059 . 1 . 1 111 111 ILE HB H 1 1.257 0.008 . 1 . . . . . 111 Ile HB . 28046 2 1060 . 1 . 1 111 111 ILE HG12 H 1 -0.705 0.006 . 2 . . . . . 111 Ile HG12 . 28046 2 1061 . 1 . 1 111 111 ILE HG13 H 1 1.026 0.007 . 2 . . . . . 111 Ile HG13 . 28046 2 1062 . 1 . 1 111 111 ILE HG21 H 1 -0.318 0.005 . 1 . . . . . 111 Ile HG21 . 28046 2 1063 . 1 . 1 111 111 ILE HG22 H 1 -0.318 0.005 . 1 . . . . . 111 Ile HG22 . 28046 2 1064 . 1 . 1 111 111 ILE HG23 H 1 -0.318 0.005 . 1 . . . . . 111 Ile HG23 . 28046 2 1065 . 1 . 1 111 111 ILE HD11 H 1 0.117 0.006 . 1 . . . . . 111 Ile HD11 . 28046 2 1066 . 1 . 1 111 111 ILE HD12 H 1 0.117 0.006 . 1 . . . . . 111 Ile HD12 . 28046 2 1067 . 1 . 1 111 111 ILE HD13 H 1 0.117 0.006 . 1 . . . . . 111 Ile HD13 . 28046 2 1068 . 1 . 1 111 111 ILE CA C 13 65.302 0.069 . 1 . . . . . 111 Ile CA . 28046 2 1069 . 1 . 1 111 111 ILE CB C 13 37.624 0.038 . 1 . . . . . 111 Ile CB . 28046 2 1070 . 1 . 1 111 111 ILE CG1 C 13 28.980 0.037 . 1 . . . . . 111 Ile CG1 . 28046 2 1071 . 1 . 1 111 111 ILE CG2 C 13 16.104 0.024 . 1 . . . . . 111 Ile CG2 . 28046 2 1072 . 1 . 1 111 111 ILE CD1 C 13 14.950 0.038 . 1 . . . . . 111 Ile CD1 . 28046 2 1073 . 1 . 1 111 111 ILE N N 15 119.417 0.063 . 1 . . . . . 111 Ile N . 28046 2 1074 . 1 . 1 112 112 LEU H H 1 8.010 0.005 . 1 . . . . . 112 Leu H . 28046 2 1075 . 1 . 1 112 112 LEU HA H 1 3.580 0.006 . 1 . . . . . 112 Leu HA . 28046 2 1076 . 1 . 1 112 112 LEU HB2 H 1 1.268 0.004 . 2 . . . . . 112 Leu HB2 . 28046 2 1077 . 1 . 1 112 112 LEU HB3 H 1 1.461 0.004 . 2 . . . . . 112 Leu HB3 . 28046 2 1078 . 1 . 1 112 112 LEU HG H 1 1.463 0.005 . 1 . . . . . 112 Leu HG . 28046 2 1079 . 1 . 1 112 112 LEU HD11 H 1 0.385 0.011 . 2 . . . . . 112 Leu HD11 . 28046 2 1080 . 1 . 1 112 112 LEU HD12 H 1 0.385 0.011 . 2 . . . . . 112 Leu HD12 . 28046 2 1081 . 1 . 1 112 112 LEU HD13 H 1 0.385 0.011 . 2 . . . . . 112 Leu HD13 . 28046 2 1082 . 1 . 1 112 112 LEU HD21 H 1 0.448 0.006 . 2 . . . . . 112 Leu HD21 . 28046 2 1083 . 1 . 1 112 112 LEU HD22 H 1 0.448 0.006 . 2 . . . . . 112 Leu HD22 . 28046 2 1084 . 1 . 1 112 112 LEU HD23 H 1 0.448 0.006 . 2 . . . . . 112 Leu HD23 . 28046 2 1085 . 1 . 1 112 112 LEU CA C 13 58.095 0.051 . 1 . . . . . 112 Leu CA . 28046 2 1086 . 1 . 1 112 112 LEU CB C 13 40.126 0.053 . 1 . . . . . 112 Leu CB . 28046 2 1087 . 1 . 1 112 112 LEU CG C 13 27.432 0.072 . 1 . . . . . 112 Leu CG . 28046 2 1088 . 1 . 1 112 112 LEU CD1 C 13 23.778 0.017 . 2 . . . . . 112 Leu CD1 . 28046 2 1089 . 1 . 1 112 112 LEU CD2 C 13 22.546 0.032 . 2 . . . . . 112 Leu CD2 . 28046 2 1090 . 1 . 1 112 112 LEU N N 15 118.548 0.032 . 1 . . . . . 112 Leu N . 28046 2 1091 . 1 . 1 113 113 ARG H H 1 7.745 0.003 . 1 . . . . . 113 Arg H . 28046 2 1092 . 1 . 1 113 113 ARG HA H 1 3.928 0.010 . 1 . . . . . 113 Arg HA . 28046 2 1093 . 1 . 1 113 113 ARG HB2 H 1 1.819 0.010 . 2 . . . . . 113 Arg HB2 . 28046 2 1094 . 1 . 1 113 113 ARG HB3 H 1 1.843 0.015 . 2 . . . . . 113 Arg HB3 . 28046 2 1095 . 1 . 1 113 113 ARG HG2 H 1 1.478 0.004 . 2 . . . . . 113 Arg HG2 . 28046 2 1096 . 1 . 1 113 113 ARG HG3 H 1 1.559 0.004 . 2 . . . . . 113 Arg HG3 . 28046 2 1097 . 1 . 1 113 113 ARG HD2 H 1 3.091 0.006 . 2 . . . . . 113 Arg HD2 . 28046 2 1098 . 1 . 1 113 113 ARG HD3 H 1 3.163 0.001 . 2 . . . . . 113 Arg HD3 . 28046 2 1099 . 1 . 1 113 113 ARG CA C 13 58.800 0.063 . 1 . . . . . 113 Arg CA . 28046 2 1100 . 1 . 1 113 113 ARG CB C 13 29.705 0.096 . 1 . . . . . 113 Arg CB . 28046 2 1101 . 1 . 1 113 113 ARG CG C 13 26.766 0.050 . 1 . . . . . 113 Arg CG . 28046 2 1102 . 1 . 1 113 113 ARG CD C 13 42.981 0.022 . 1 . . . . . 113 Arg CD . 28046 2 1103 . 1 . 1 113 113 ARG N N 15 118.577 0.054 . 1 . . . . . 113 Arg N . 28046 2 1104 . 1 . 1 114 114 VAL H H 1 7.646 0.004 . 1 . . . . . 114 Val H . 28046 2 1105 . 1 . 1 114 114 VAL HA H 1 3.928 0.004 . 1 . . . . . 114 Val HA . 28046 2 1106 . 1 . 1 114 114 VAL HB H 1 2.092 0.005 . 1 . . . . . 114 Val HB . 28046 2 1107 . 1 . 1 114 114 VAL HG11 H 1 0.980 0.006 . 2 . . . . . 114 Val HG11 . 28046 2 1108 . 1 . 1 114 114 VAL HG12 H 1 0.980 0.006 . 2 . . . . . 114 Val HG12 . 28046 2 1109 . 1 . 1 114 114 VAL HG13 H 1 0.980 0.006 . 2 . . . . . 114 Val HG13 . 28046 2 1110 . 1 . 1 114 114 VAL HG21 H 1 1.117 0.004 . 2 . . . . . 114 Val HG21 . 28046 2 1111 . 1 . 1 114 114 VAL HG22 H 1 1.117 0.004 . 2 . . . . . 114 Val HG22 . 28046 2 1112 . 1 . 1 114 114 VAL HG23 H 1 1.117 0.004 . 2 . . . . . 114 Val HG23 . 28046 2 1113 . 1 . 1 114 114 VAL CA C 13 64.265 0.064 . 1 . . . . . 114 Val CA . 28046 2 1114 . 1 . 1 114 114 VAL CB C 13 32.054 0.035 . 1 . . . . . 114 Val CB . 28046 2 1115 . 1 . 1 114 114 VAL CG1 C 13 21.427 0.022 . 2 . . . . . 114 Val CG1 . 28046 2 1116 . 1 . 1 114 114 VAL CG2 C 13 21.983 0.064 . 2 . . . . . 114 Val CG2 . 28046 2 1117 . 1 . 1 114 114 VAL N N 15 114.983 0.045 . 1 . . . . . 114 Val N . 28046 2 1118 . 1 . 1 115 115 LYS H H 1 8.280 0.006 . 1 . . . . . 115 Lys H . 28046 2 1119 . 1 . 1 115 115 LYS HA H 1 4.244 0.009 . 1 . . . . . 115 Lys HA . 28046 2 1120 . 1 . 1 115 115 LYS HB2 H 1 1.692 0.013 . 2 . . . . . 115 Lys HB2 . 28046 2 1121 . 1 . 1 115 115 LYS HB3 H 1 1.834 0.002 . 2 . . . . . 115 Lys HB3 . 28046 2 1122 . 1 . 1 115 115 LYS HG2 H 1 1.335 0.010 . 2 . . . . . 115 Lys HG2 . 28046 2 1123 . 1 . 1 115 115 LYS HG3 H 1 1.582 0.010 . 2 . . . . . 115 Lys HG3 . 28046 2 1124 . 1 . 1 115 115 LYS HD2 H 1 1.752 0.004 . 2 . . . . . 115 Lys HD2 . 28046 2 1125 . 1 . 1 115 115 LYS HD3 H 1 1.999 0.006 . 2 . . . . . 115 Lys HD3 . 28046 2 1126 . 1 . 1 115 115 LYS HE2 H 1 3.076 0.003 . 2 . . . . . 115 Lys HE2 . 28046 2 1127 . 1 . 1 115 115 LYS HE3 H 1 3.249 0.006 . 2 . . . . . 115 Lys HE3 . 28046 2 1128 . 1 . 1 115 115 LYS CA C 13 54.718 0.064 . 1 . . . . . 115 Lys CA . 28046 2 1129 . 1 . 1 115 115 LYS CB C 13 30.475 0.096 . 1 . . . . . 115 Lys CB . 28046 2 1130 . 1 . 1 115 115 LYS CG C 13 24.176 0.045 . 1 . . . . . 115 Lys CG . 28046 2 1131 . 1 . 1 115 115 LYS CD C 13 26.963 0.037 . 1 . . . . . 115 Lys CD . 28046 2 1132 . 1 . 1 115 115 LYS CE C 13 41.491 0.026 . 1 . . . . . 115 Lys CE . 28046 2 1133 . 1 . 1 115 115 LYS N N 15 116.270 0.037 . 1 . . . . . 115 Lys N . 28046 2 1134 . 1 . 1 116 116 GLU H H 1 7.989 0.005 . 1 . . . . . 116 Glu H . 28046 2 1135 . 1 . 1 116 116 GLU HA H 1 3.758 0.003 . 1 . . . . . 116 Glu HA . 28046 2 1136 . 1 . 1 116 116 GLU HB2 H 1 2.046 0.004 . 1 . . . . . 116 Glu HB2 . 28046 2 1137 . 1 . 1 116 116 GLU HB3 H 1 2.046 0.004 . 1 . . . . . 116 Glu HB3 . 28046 2 1138 . 1 . 1 116 116 GLU HG2 H 1 2.040 0.003 . 1 . . . . . 116 Glu HG2 . 28046 2 1139 . 1 . 1 116 116 GLU HG3 H 1 2.040 0.003 . 1 . . . . . 116 Glu HG3 . 28046 2 1140 . 1 . 1 116 116 GLU CA C 13 56.970 0.056 . 1 . . . . . 116 Glu CA . 28046 2 1141 . 1 . 1 116 116 GLU CB C 13 27.318 0.046 . 1 . . . . . 116 Glu CB . 28046 2 1142 . 1 . 1 116 116 GLU CG C 13 36.719 0.027 . 1 . . . . . 116 Glu CG . 28046 2 1143 . 1 . 1 116 116 GLU N N 15 115.203 0.032 . 1 . . . . . 116 Glu N . 28046 2 1144 . 1 . 1 117 117 ASP H H 1 6.758 0.008 . 1 . . . . . 117 Asp H . 28046 2 1145 . 1 . 1 117 117 ASP HA H 1 4.578 0.002 . 1 . . . . . 117 Asp HA . 28046 2 1146 . 1 . 1 117 117 ASP HB2 H 1 2.382 0.012 . 2 . . . . . 117 Asp HB2 . 28046 2 1147 . 1 . 1 117 117 ASP HB3 H 1 2.489 0.012 . 2 . . . . . 117 Asp HB3 . 28046 2 1148 . 1 . 1 117 117 ASP CA C 13 52.929 0.054 . 1 . . . . . 117 Asp CA . 28046 2 1149 . 1 . 1 117 117 ASP CB C 13 42.444 0.100 . 1 . . . . . 117 Asp CB . 28046 2 1150 . 1 . 1 117 117 ASP N N 15 114.727 0.038 . 1 . . . . . 117 Asp N . 28046 2 1151 . 1 . 1 118 118 GLU H H 1 8.629 0.004 . 1 . . . . . 118 Glu H . 28046 2 1152 . 1 . 1 118 118 GLU HA H 1 3.938 0.007 . 1 . . . . . 118 Glu HA . 28046 2 1153 . 1 . 1 118 118 GLU HB2 H 1 1.795 0.004 . 2 . . . . . 118 Glu HB2 . 28046 2 1154 . 1 . 1 118 118 GLU HB3 H 1 1.926 0.003 . 2 . . . . . 118 Glu HB3 . 28046 2 1155 . 1 . 1 118 118 GLU HG2 H 1 2.078 0.012 . 2 . . . . . 118 Glu HG2 . 28046 2 1156 . 1 . 1 118 118 GLU HG3 H 1 2.141 0.008 . 2 . . . . . 118 Glu HG3 . 28046 2 1157 . 1 . 1 118 118 GLU CA C 13 57.272 0.056 . 1 . . . . . 118 Glu CA . 28046 2 1158 . 1 . 1 118 118 GLU CB C 13 29.470 0.068 . 1 . . . . . 118 Glu CB . 28046 2 1159 . 1 . 1 118 118 GLU CG C 13 36.031 0.024 . 1 . . . . . 118 Glu CG . 28046 2 1160 . 1 . 1 118 118 GLU N N 15 122.189 0.058 . 1 . . . . . 118 Glu N . 28046 2 1161 . 1 . 1 119 119 ASN H H 1 8.436 0.006 . 1 . . . . . 119 Asn H . 28046 2 1162 . 1 . 1 119 119 ASN HA H 1 4.805 0.005 . 1 . . . . . 119 Asn HA . 28046 2 1163 . 1 . 1 119 119 ASN HB2 H 1 2.526 0.007 . 2 . . . . . 119 Asn HB2 . 28046 2 1164 . 1 . 1 119 119 ASN HB3 H 1 2.861 0.004 . 2 . . . . . 119 Asn HB3 . 28046 2 1165 . 1 . 1 119 119 ASN HD21 H 1 6.895 0.012 . 1 . . . . . 119 Asn HD21 . 28046 2 1166 . 1 . 1 119 119 ASN HD22 H 1 7.683 0.007 . 1 . . . . . 119 Asn HD22 . 28046 2 1167 . 1 . 1 119 119 ASN CA C 13 51.843 0.055 . 1 . . . . . 119 Asn CA . 28046 2 1168 . 1 . 1 119 119 ASN CB C 13 38.726 0.049 . 1 . . . . . 119 Asn CB . 28046 2 1169 . 1 . 1 119 119 ASN N N 15 117.141 0.030 . 1 . . . . . 119 Asn N . 28046 2 1170 . 1 . 1 119 119 ASN ND2 N 15 113.462 0.017 . 1 . . . . . 119 Asn ND2 . 28046 2 1171 . 1 . 1 120 120 VAL H H 1 6.932 0.005 . 1 . . . . . 120 Val H . 28046 2 1172 . 1 . 1 120 120 VAL HA H 1 4.210 0.005 . 1 . . . . . 120 Val HA . 28046 2 1173 . 1 . 1 120 120 VAL HB H 1 2.044 0.004 . 1 . . . . . 120 Val HB . 28046 2 1174 . 1 . 1 120 120 VAL HG11 H 1 0.813 0.007 . 2 . . . . . 120 Val HG11 . 28046 2 1175 . 1 . 1 120 120 VAL HG12 H 1 0.813 0.007 . 2 . . . . . 120 Val HG12 . 28046 2 1176 . 1 . 1 120 120 VAL HG13 H 1 0.813 0.007 . 2 . . . . . 120 Val HG13 . 28046 2 1177 . 1 . 1 120 120 VAL HG21 H 1 1.034 0.010 . 2 . . . . . 120 Val HG21 . 28046 2 1178 . 1 . 1 120 120 VAL HG22 H 1 1.034 0.010 . 2 . . . . . 120 Val HG22 . 28046 2 1179 . 1 . 1 120 120 VAL HG23 H 1 1.034 0.010 . 2 . . . . . 120 Val HG23 . 28046 2 1180 . 1 . 1 120 120 VAL CA C 13 59.237 0.048 . 1 . . . . . 120 Val CA . 28046 2 1181 . 1 . 1 120 120 VAL CB C 13 32.756 0.052 . 1 . . . . . 120 Val CB . 28046 2 1182 . 1 . 1 120 120 VAL CG1 C 13 20.019 0.048 . 2 . . . . . 120 Val CG1 . 28046 2 1183 . 1 . 1 120 120 VAL CG2 C 13 21.552 0.034 . 2 . . . . . 120 Val CG2 . 28046 2 1184 . 1 . 1 120 120 VAL N N 15 121.242 0.021 . 1 . . . . . 120 Val N . 28046 2 1185 . 1 . 1 121 121 PRO HA H 1 4.449 0.002 . 1 . . . . . 121 Pro HA . 28046 2 1186 . 1 . 1 121 121 PRO HB2 H 1 2.110 0.012 . 2 . . . . . 121 Pro HB2 . 28046 2 1187 . 1 . 1 121 121 PRO HB3 H 1 1.942 0.002 . 2 . . . . . 121 Pro HB3 . 28046 2 1188 . 1 . 1 121 121 PRO HG2 H 1 1.696 0.005 . 2 . . . . . 121 Pro HG2 . 28046 2 1189 . 1 . 1 121 121 PRO HG3 H 1 1.969 0.003 . 2 . . . . . 121 Pro HG3 . 28046 2 1190 . 1 . 1 121 121 PRO HD2 H 1 3.947 0.005 . 1 . . . . . 121 Pro HD2 . 28046 2 1191 . 1 . 1 121 121 PRO HD3 H 1 3.947 0.005 . 1 . . . . . 121 Pro HD3 . 28046 2 1192 . 1 . 1 121 121 PRO CA C 13 64.288 0.066 . 1 . . . . . 121 Pro CA . 28046 2 1193 . 1 . 1 121 121 PRO CB C 13 32.046 0.037 . 1 . . . . . 121 Pro CB . 28046 2 1194 . 1 . 1 121 121 PRO CG C 13 28.187 0.023 . 1 . . . . . 121 Pro CG . 28046 2 1195 . 1 . 1 121 121 PRO CD C 13 51.046 0.018 . 1 . . . . . 121 Pro CD . 28046 2 1196 . 1 . 1 122 122 PHE H H 1 8.203 0.007 . 1 . . . . . 122 Phe H . 28046 2 1197 . 1 . 1 122 122 PHE HA H 1 5.449 0.005 . 1 . . . . . 122 Phe HA . 28046 2 1198 . 1 . 1 122 122 PHE HB2 H 1 2.895 0.006 . 2 . . . . . 122 Phe HB2 . 28046 2 1199 . 1 . 1 122 122 PHE HB3 H 1 3.118 0.004 . 2 . . . . . 122 Phe HB3 . 28046 2 1200 . 1 . 1 122 122 PHE HD1 H 1 6.904 0.005 . 1 . . . . . 122 Phe HD1 . 28046 2 1201 . 1 . 1 122 122 PHE HD2 H 1 6.904 0.005 . 1 . . . . . 122 Phe HD2 . 28046 2 1202 . 1 . 1 122 122 PHE HE1 H 1 6.942 0.007 . 1 . . . . . 122 Phe HE1 . 28046 2 1203 . 1 . 1 122 122 PHE HE2 H 1 6.942 0.007 . 1 . . . . . 122 Phe HE2 . 28046 2 1204 . 1 . 1 122 122 PHE HZ H 1 7.105 0.003 . 1 . . . . . 122 Phe HZ . 28046 2 1205 . 1 . 1 122 122 PHE CA C 13 56.692 0.074 . 1 . . . . . 122 Phe CA . 28046 2 1206 . 1 . 1 122 122 PHE CB C 13 42.298 0.071 . 1 . . . . . 122 Phe CB . 28046 2 1207 . 1 . 1 122 122 PHE CD1 C 13 132.001 0.075 . 1 . . . . . 122 Phe CD1 . 28046 2 1208 . 1 . 1 122 122 PHE CD2 C 13 132.001 0.075 . 1 . . . . . 122 Phe CD2 . 28046 2 1209 . 1 . 1 122 122 PHE CE1 C 13 129.560 0.071 . 1 . . . . . 122 Phe CE1 . 28046 2 1210 . 1 . 1 122 122 PHE CE2 C 13 129.560 0.071 . 1 . . . . . 122 Phe CE2 . 28046 2 1211 . 1 . 1 122 122 PHE CZ C 13 129.001 0.074 . 1 . . . . . 122 Phe CZ . 28046 2 1212 . 1 . 1 122 122 PHE N N 15 128.286 0.031 . 1 . . . . . 122 Phe N . 28046 2 1213 . 1 . 1 123 123 LEU H H 1 8.053 0.007 . 1 . . . . . 123 Leu H . 28046 2 1214 . 1 . 1 123 123 LEU HA H 1 4.760 0.006 . 1 . . . . . 123 Leu HA . 28046 2 1215 . 1 . 1 123 123 LEU HB2 H 1 1.211 0.004 . 2 . . . . . 123 Leu HB2 . 28046 2 1216 . 1 . 1 123 123 LEU HB3 H 1 1.382 0.007 . 2 . . . . . 123 Leu HB3 . 28046 2 1217 . 1 . 1 123 123 LEU HG H 1 1.524 0.005 . 1 . . . . . 123 Leu HG . 28046 2 1218 . 1 . 1 123 123 LEU HD11 H 1 0.729 0.007 . 2 . . . . . 123 Leu HD11 . 28046 2 1219 . 1 . 1 123 123 LEU HD12 H 1 0.729 0.007 . 2 . . . . . 123 Leu HD12 . 28046 2 1220 . 1 . 1 123 123 LEU HD13 H 1 0.729 0.007 . 2 . . . . . 123 Leu HD13 . 28046 2 1221 . 1 . 1 123 123 LEU HD21 H 1 0.790 0.008 . 2 . . . . . 123 Leu HD21 . 28046 2 1222 . 1 . 1 123 123 LEU HD22 H 1 0.790 0.008 . 2 . . . . . 123 Leu HD22 . 28046 2 1223 . 1 . 1 123 123 LEU HD23 H 1 0.790 0.008 . 2 . . . . . 123 Leu HD23 . 28046 2 1224 . 1 . 1 123 123 LEU CA C 13 54.992 0.081 . 1 . . . . . 123 Leu CA . 28046 2 1225 . 1 . 1 123 123 LEU CB C 13 46.462 0.042 . 1 . . . . . 123 Leu CB . 28046 2 1226 . 1 . 1 123 123 LEU CG C 13 28.669 0.032 . 1 . . . . . 123 Leu CG . 28046 2 1227 . 1 . 1 123 123 LEU CD1 C 13 26.100 0.073 . 2 . . . . . 123 Leu CD1 . 28046 2 1228 . 1 . 1 123 123 LEU CD2 C 13 25.534 0.063 . 2 . . . . . 123 Leu CD2 . 28046 2 1229 . 1 . 1 123 123 LEU N N 15 128.687 0.044 . 1 . . . . . 123 Leu N . 28046 2 1230 . 1 . 1 124 124 LEU H H 1 8.173 0.007 . 1 . . . . . 124 Leu H . 28046 2 1231 . 1 . 1 124 124 LEU HA H 1 5.087 0.008 . 1 . . . . . 124 Leu HA . 28046 2 1232 . 1 . 1 124 124 LEU HB2 H 1 2.539 0.006 . 2 . . . . . 124 Leu HB2 . 28046 2 1233 . 1 . 1 124 124 LEU HB3 H 1 1.443 0.005 . 2 . . . . . 124 Leu HB3 . 28046 2 1234 . 1 . 1 124 124 LEU HG H 1 2.092 0.007 . 1 . . . . . 124 Leu HG . 28046 2 1235 . 1 . 1 124 124 LEU HD11 H 1 1.483 0.004 . 2 . . . . . 124 Leu HD11 . 28046 2 1236 . 1 . 1 124 124 LEU HD12 H 1 1.483 0.004 . 2 . . . . . 124 Leu HD12 . 28046 2 1237 . 1 . 1 124 124 LEU HD13 H 1 1.483 0.004 . 2 . . . . . 124 Leu HD13 . 28046 2 1238 . 1 . 1 124 124 LEU HD21 H 1 0.874 0.005 . 2 . . . . . 124 Leu HD21 . 28046 2 1239 . 1 . 1 124 124 LEU HD22 H 1 0.874 0.005 . 2 . . . . . 124 Leu HD22 . 28046 2 1240 . 1 . 1 124 124 LEU HD23 H 1 0.874 0.005 . 2 . . . . . 124 Leu HD23 . 28046 2 1241 . 1 . 1 124 124 LEU CA C 13 54.033 0.050 . 1 . . . . . 124 Leu CA . 28046 2 1242 . 1 . 1 124 124 LEU CB C 13 44.829 0.064 . 1 . . . . . 124 Leu CB . 28046 2 1243 . 1 . 1 124 124 LEU CG C 13 28.074 0.020 . 1 . . . . . 124 Leu CG . 28046 2 1244 . 1 . 1 124 124 LEU CD1 C 13 23.716 0.023 . 2 . . . . . 124 Leu CD1 . 28046 2 1245 . 1 . 1 124 124 LEU CD2 C 13 26.113 0.033 . 2 . . . . . 124 Leu CD2 . 28046 2 1246 . 1 . 1 124 124 LEU N N 15 126.528 0.031 . 1 . . . . . 124 Leu N . 28046 2 1247 . 1 . 1 125 125 VAL H H 1 9.069 0.008 . 1 . . . . . 125 Val H . 28046 2 1248 . 1 . 1 125 125 VAL HA H 1 4.906 0.002 . 1 . . . . . 125 Val HA . 28046 2 1249 . 1 . 1 125 125 VAL HB H 1 1.644 0.008 . 1 . . . . . 125 Val HB . 28046 2 1250 . 1 . 1 125 125 VAL HG11 H 1 0.496 0.008 . 2 . . . . . 125 Val HG11 . 28046 2 1251 . 1 . 1 125 125 VAL HG12 H 1 0.496 0.008 . 2 . . . . . 125 Val HG12 . 28046 2 1252 . 1 . 1 125 125 VAL HG13 H 1 0.496 0.008 . 2 . . . . . 125 Val HG13 . 28046 2 1253 . 1 . 1 125 125 VAL HG21 H 1 0.615 0.004 . 2 . . . . . 125 Val HG21 . 28046 2 1254 . 1 . 1 125 125 VAL HG22 H 1 0.615 0.004 . 2 . . . . . 125 Val HG22 . 28046 2 1255 . 1 . 1 125 125 VAL HG23 H 1 0.615 0.004 . 2 . . . . . 125 Val HG23 . 28046 2 1256 . 1 . 1 125 125 VAL CA C 13 60.276 0.089 . 1 . . . . . 125 Val CA . 28046 2 1257 . 1 . 1 125 125 VAL CB C 13 34.710 0.112 . 1 . . . . . 125 Val CB . 28046 2 1258 . 1 . 1 125 125 VAL CG1 C 13 22.205 0.047 . 2 . . . . . 125 Val CG1 . 28046 2 1259 . 1 . 1 125 125 VAL CG2 C 13 22.822 0.085 . 2 . . . . . 125 Val CG2 . 28046 2 1260 . 1 . 1 125 125 VAL N N 15 127.956 0.039 . 1 . . . . . 125 Val N . 28046 2 1261 . 1 . 1 126 126 GLY H H 1 8.165 0.005 . 1 . . . . . 126 Gly H . 28046 2 1262 . 1 . 1 126 126 GLY HA2 H 1 2.722 0.005 . 2 . . . . . 126 Gly HA2 . 28046 2 1263 . 1 . 1 126 126 GLY HA3 H 1 2.920 0.005 . 2 . . . . . 126 Gly HA3 . 28046 2 1264 . 1 . 1 126 126 GLY CA C 13 44.662 0.068 . 1 . . . . . 126 Gly CA . 28046 2 1265 . 1 . 1 126 126 GLY N N 15 115.070 0.023 . 1 . . . . . 126 Gly N . 28046 2 1266 . 1 . 1 127 127 ASN H H 1 8.790 0.011 . 1 . . . . . 127 Asn H . 28046 2 1267 . 1 . 1 127 127 ASN HA H 1 5.475 0.010 . 1 . . . . . 127 Asn HA . 28046 2 1268 . 1 . 1 127 127 ASN HB2 H 1 2.092 0.006 . 2 . . . . . 127 Asn HB2 . 28046 2 1269 . 1 . 1 127 127 ASN HB3 H 1 2.516 0.006 . 2 . . . . . 127 Asn HB3 . 28046 2 1270 . 1 . 1 127 127 ASN HD21 H 1 7.567 0.005 . 1 . . . . . 127 Asn HD21 . 28046 2 1271 . 1 . 1 127 127 ASN HD22 H 1 6.864 0.004 . 1 . . . . . 127 Asn HD22 . 28046 2 1272 . 1 . 1 127 127 ASN CA C 13 51.154 0.051 . 1 . . . . . 127 Asn CA . 28046 2 1273 . 1 . 1 127 127 ASN CB C 13 40.932 0.050 . 1 . . . . . 127 Asn CB . 28046 2 1274 . 1 . 1 127 127 ASN N N 15 121.657 0.031 . 1 . . . . . 127 Asn N . 28046 2 1275 . 1 . 1 127 127 ASN ND2 N 15 112.739 0.053 . 1 . . . . . 127 Asn ND2 . 28046 2 1276 . 1 . 1 128 128 LYS H H 1 7.189 0.016 . 1 . . . . . 128 Lys H . 28046 2 1277 . 1 . 1 128 128 LYS HA H 1 4.105 0.005 . 1 . . . . . 128 Lys HA . 28046 2 1278 . 1 . 1 128 128 LYS HB2 H 1 1.744 0.001 . 1 . . . . . 128 Lys HB2 . 28046 2 1279 . 1 . 1 128 128 LYS HB3 H 1 1.744 0.001 . 1 . . . . . 128 Lys HB3 . 28046 2 1280 . 1 . 1 128 128 LYS HG2 H 1 1.332 0.006 . 1 . . . . . 128 Lys HG2 . 28046 2 1281 . 1 . 1 128 128 LYS HG3 H 1 1.332 0.006 . 1 . . . . . 128 Lys HG3 . 28046 2 1282 . 1 . 1 128 128 LYS HD2 H 1 1.594 0.001 . 1 . . . . . 128 Lys HD2 . 28046 2 1283 . 1 . 1 128 128 LYS HD3 H 1 1.594 0.001 . 1 . . . . . 128 Lys HD3 . 28046 2 1284 . 1 . 1 128 128 LYS HE2 H 1 2.904 0.001 . 1 . . . . . 128 Lys HE2 . 28046 2 1285 . 1 . 1 128 128 LYS HE3 H 1 2.904 0.001 . 1 . . . . . 128 Lys HE3 . 28046 2 1286 . 1 . 1 128 128 LYS CA C 13 57.155 0.083 . 1 . . . . . 128 Lys CA . 28046 2 1287 . 1 . 1 128 128 LYS CB C 13 32.437 2.342 . 1 . . . . . 128 Lys CB . 28046 2 1288 . 1 . 1 128 128 LYS CG C 13 23.759 0.000 . 1 . . . . . 128 Lys CG . 28046 2 1289 . 1 . 1 128 128 LYS CD C 13 28.944 0.000 . 1 . . . . . 128 Lys CD . 28046 2 1290 . 1 . 1 128 128 LYS CE C 13 41.799 0.009 . 1 . . . . . 128 Lys CE . 28046 2 1291 . 1 . 1 128 128 LYS N N 15 110.614 0.023 . 1 . . . . . 128 Lys N . 28046 2 1292 . 1 . 1 129 129 SER H H 1 9.075 0.008 . 1 . . . . . 129 Ser H . 28046 2 1293 . 1 . 1 129 129 SER HA H 1 3.772 0.003 . 1 . . . . . 129 Ser HA . 28046 2 1294 . 1 . 1 129 129 SER HB2 H 1 3.469 0.004 . 2 . . . . . 129 Ser HB2 . 28046 2 1295 . 1 . 1 129 129 SER HB3 H 1 3.942 0.003 . 2 . . . . . 129 Ser HB3 . 28046 2 1296 . 1 . 1 129 129 SER HG H 1 5.476 0.000 . 1 . . . . . 129 Ser HG . 28046 2 1297 . 1 . 1 129 129 SER CA C 13 60.322 0.032 . 1 . . . . . 129 Ser CA . 28046 2 1298 . 1 . 1 129 129 SER CB C 13 62.614 0.045 . 1 . . . . . 129 Ser CB . 28046 2 1299 . 1 . 1 129 129 SER N N 15 114.090 0.026 . 1 . . . . . 129 Ser N . 28046 2 1300 . 1 . 1 130 130 ASP H H 1 8.650 0.004 . 1 . . . . . 130 Asp H . 28046 2 1301 . 1 . 1 130 130 ASP HA H 1 4.468 0.007 . 1 . . . . . 130 Asp HA . 28046 2 1302 . 1 . 1 130 130 ASP HB2 H 1 2.521 0.012 . 2 . . . . . 130 Asp HB2 . 28046 2 1303 . 1 . 1 130 130 ASP HB3 H 1 2.585 0.018 . 2 . . . . . 130 Asp HB3 . 28046 2 1304 . 1 . 1 130 130 ASP CA C 13 54.356 0.056 . 1 . . . . . 130 Asp CA . 28046 2 1305 . 1 . 1 130 130 ASP CB C 13 39.886 0.039 . 1 . . . . . 130 Asp CB . 28046 2 1306 . 1 . 1 130 130 ASP N N 15 116.473 0.032 . 1 . . . . . 130 Asp N . 28046 2 1307 . 1 . 1 131 131 LEU H H 1 8.011 0.005 . 1 . . . . . 131 Leu H . 28046 2 1308 . 1 . 1 131 131 LEU HA H 1 4.602 0.009 . 1 . . . . . 131 Leu HA . 28046 2 1309 . 1 . 1 131 131 LEU HB2 H 1 1.839 0.007 . 2 . . . . . 131 Leu HB2 . 28046 2 1310 . 1 . 1 131 131 LEU HB3 H 1 1.261 0.007 . 2 . . . . . 131 Leu HB3 . 28046 2 1311 . 1 . 1 131 131 LEU HG H 1 1.422 0.006 . 1 . . . . . 131 Leu HG . 28046 2 1312 . 1 . 1 131 131 LEU HD11 H 1 0.645 0.005 . 2 . . . . . 131 Leu HD11 . 28046 2 1313 . 1 . 1 131 131 LEU HD12 H 1 0.645 0.005 . 2 . . . . . 131 Leu HD12 . 28046 2 1314 . 1 . 1 131 131 LEU HD13 H 1 0.645 0.005 . 2 . . . . . 131 Leu HD13 . 28046 2 1315 . 1 . 1 131 131 LEU HD21 H 1 0.859 0.011 . 2 . . . . . 131 Leu HD21 . 28046 2 1316 . 1 . 1 131 131 LEU HD22 H 1 0.859 0.011 . 2 . . . . . 131 Leu HD22 . 28046 2 1317 . 1 . 1 131 131 LEU HD23 H 1 0.859 0.011 . 2 . . . . . 131 Leu HD23 . 28046 2 1318 . 1 . 1 131 131 LEU CA C 13 52.510 0.061 . 1 . . . . . 131 Leu CA . 28046 2 1319 . 1 . 1 131 131 LEU CB C 13 39.318 0.054 . 1 . . . . . 131 Leu CB . 28046 2 1320 . 1 . 1 131 131 LEU CG C 13 25.607 0.062 . 1 . . . . . 131 Leu CG . 28046 2 1321 . 1 . 1 131 131 LEU CD1 C 13 22.448 0.035 . 2 . . . . . 131 Leu CD1 . 28046 2 1322 . 1 . 1 131 131 LEU CD2 C 13 26.497 0.027 . 2 . . . . . 131 Leu CD2 . 28046 2 1323 . 1 . 1 131 131 LEU N N 15 123.135 0.047 . 1 . . . . . 131 Leu N . 28046 2 1324 . 1 . 1 132 132 GLU H H 1 6.716 0.004 . 1 . . . . . 132 Glu H . 28046 2 1325 . 1 . 1 132 132 GLU HA H 1 3.703 0.006 . 1 . . . . . 132 Glu HA . 28046 2 1326 . 1 . 1 132 132 GLU HB2 H 1 1.833 0.006 . 2 . . . . . 132 Glu HB2 . 28046 2 1327 . 1 . 1 132 132 GLU HB3 H 1 2.092 0.005 . 2 . . . . . 132 Glu HB3 . 28046 2 1328 . 1 . 1 132 132 GLU HG2 H 1 2.093 0.005 . 2 . . . . . 132 Glu HG2 . 28046 2 1329 . 1 . 1 132 132 GLU HG3 H 1 2.342 0.005 . 2 . . . . . 132 Glu HG3 . 28046 2 1330 . 1 . 1 132 132 GLU CA C 13 59.008 0.057 . 1 . . . . . 132 Glu CA . 28046 2 1331 . 1 . 1 132 132 GLU CB C 13 29.680 0.035 . 1 . . . . . 132 Glu CB . 28046 2 1332 . 1 . 1 132 132 GLU CG C 13 34.450 0.028 . 1 . . . . . 132 Glu CG . 28046 2 1333 . 1 . 1 132 132 GLU N N 15 118.988 0.029 . 1 . . . . . 132 Glu N . 28046 2 1334 . 1 . 1 133 133 ASP H H 1 8.696 0.005 . 1 . . . . . 133 Asp H . 28046 2 1335 . 1 . 1 133 133 ASP HA H 1 4.298 0.003 . 1 . . . . . 133 Asp HA . 28046 2 1336 . 1 . 1 133 133 ASP HB2 H 1 2.589 0.005 . 1 . . . . . 133 Asp HB2 . 28046 2 1337 . 1 . 1 133 133 ASP HB3 H 1 2.589 0.005 . 1 . . . . . 133 Asp HB3 . 28046 2 1338 . 1 . 1 133 133 ASP CA C 13 55.537 0.075 . 1 . . . . . 133 Asp CA . 28046 2 1339 . 1 . 1 133 133 ASP CB C 13 39.366 0.031 . 1 . . . . . 133 Asp CB . 28046 2 1340 . 1 . 1 133 133 ASP N N 15 115.295 0.045 . 1 . . . . . 133 Asp N . 28046 2 1341 . 1 . 1 134 134 LYS H H 1 7.733 0.007 . 1 . . . . . 134 Lys H . 28046 2 1342 . 1 . 1 134 134 LYS HA H 1 4.433 0.004 . 1 . . . . . 134 Lys HA . 28046 2 1343 . 1 . 1 134 134 LYS HB2 H 1 1.603 0.005 . 2 . . . . . 134 Lys HB2 . 28046 2 1344 . 1 . 1 134 134 LYS HB3 H 1 2.116 0.004 . 2 . . . . . 134 Lys HB3 . 28046 2 1345 . 1 . 1 134 134 LYS HG2 H 1 1.267 0.006 . 2 . . . . . 134 Lys HG2 . 28046 2 1346 . 1 . 1 134 134 LYS HG3 H 1 1.360 0.003 . 2 . . . . . 134 Lys HG3 . 28046 2 1347 . 1 . 1 134 134 LYS HD2 H 1 1.541 0.001 . 2 . . . . . 134 Lys HD2 . 28046 2 1348 . 1 . 1 134 134 LYS HD3 H 1 1.613 0.006 . 2 . . . . . 134 Lys HD3 . 28046 2 1349 . 1 . 1 134 134 LYS HE2 H 1 2.928 0.002 . 1 . . . . . 134 Lys HE2 . 28046 2 1350 . 1 . 1 134 134 LYS HE3 H 1 2.928 0.002 . 1 . . . . . 134 Lys HE3 . 28046 2 1351 . 1 . 1 134 134 LYS CA C 13 53.813 0.057 . 1 . . . . . 134 Lys CA . 28046 2 1352 . 1 . 1 134 134 LYS CB C 13 32.474 0.036 . 1 . . . . . 134 Lys CB . 28046 2 1353 . 1 . 1 134 134 LYS CG C 13 24.306 0.048 . 1 . . . . . 134 Lys CG . 28046 2 1354 . 1 . 1 134 134 LYS CD C 13 28.628 0.040 . 1 . . . . . 134 Lys CD . 28046 2 1355 . 1 . 1 134 134 LYS CE C 13 42.048 0.025 . 1 . . . . . 134 Lys CE . 28046 2 1356 . 1 . 1 134 134 LYS N N 15 117.926 0.032 . 1 . . . . . 134 Lys N . 28046 2 1357 . 1 . 1 135 135 ARG H H 1 7.273 0.009 . 1 . . . . . 135 Arg H . 28046 2 1358 . 1 . 1 135 135 ARG HA H 1 3.402 0.007 . 1 . . . . . 135 Arg HA . 28046 2 1359 . 1 . 1 135 135 ARG HB2 H 1 1.504 0.014 . 2 . . . . . 135 Arg HB2 . 28046 2 1360 . 1 . 1 135 135 ARG HB3 H 1 1.864 0.014 . 2 . . . . . 135 Arg HB3 . 28046 2 1361 . 1 . 1 135 135 ARG HG2 H 1 1.062 0.003 . 2 . . . . . 135 Arg HG2 . 28046 2 1362 . 1 . 1 135 135 ARG HG3 H 1 1.344 0.000 . 2 . . . . . 135 Arg HG3 . 28046 2 1363 . 1 . 1 135 135 ARG HD2 H 1 2.836 0.008 . 2 . . . . . 135 Arg HD2 . 28046 2 1364 . 1 . 1 135 135 ARG HD3 H 1 3.509 0.005 . 2 . . . . . 135 Arg HD3 . 28046 2 1365 . 1 . 1 135 135 ARG HE H 1 7.992 0.008 . 1 . . . . . 135 Arg HE . 28046 2 1366 . 1 . 1 135 135 ARG CA C 13 58.454 0.090 . 1 . . . . . 135 Arg CA . 28046 2 1367 . 1 . 1 135 135 ARG CB C 13 31.572 0.076 . 1 . . . . . 135 Arg CB . 28046 2 1368 . 1 . 1 135 135 ARG CD C 13 43.588 0.029 . 1 . . . . . 135 Arg CD . 28046 2 1369 . 1 . 1 135 135 ARG N N 15 120.455 0.033 . 1 . . . . . 135 Arg N . 28046 2 1370 . 1 . 1 135 135 ARG NE N 15 80.450 0.060 . 1 . . . . . 135 Arg NE . 28046 2 1371 . 1 . 1 136 136 GLN H H 1 9.399 0.005 . 1 . . . . . 136 Gln H . 28046 2 1372 . 1 . 1 136 136 GLN HA H 1 4.431 0.006 . 1 . . . . . 136 Gln HA . 28046 2 1373 . 1 . 1 136 136 GLN HB2 H 1 1.400 0.009 . 2 . . . . . 136 Gln HB2 . 28046 2 1374 . 1 . 1 136 136 GLN HB3 H 1 2.178 0.004 . 2 . . . . . 136 Gln HB3 . 28046 2 1375 . 1 . 1 136 136 GLN HG2 H 1 2.354 0.004 . 2 . . . . . 136 Gln HG2 . 28046 2 1376 . 1 . 1 136 136 GLN HG3 H 1 2.584 0.005 . 2 . . . . . 136 Gln HG3 . 28046 2 1377 . 1 . 1 136 136 GLN HE21 H 1 6.857 0.003 . 1 . . . . . 136 Gln HE21 . 28046 2 1378 . 1 . 1 136 136 GLN HE22 H 1 7.346 0.002 . 1 . . . . . 136 Gln HE22 . 28046 2 1379 . 1 . 1 136 136 GLN CA C 13 55.460 0.049 . 1 . . . . . 136 Gln CA . 28046 2 1380 . 1 . 1 136 136 GLN CB C 13 32.027 0.059 . 1 . . . . . 136 Gln CB . 28046 2 1381 . 1 . 1 136 136 GLN CG C 13 33.856 0.032 . 1 . . . . . 136 Gln CG . 28046 2 1382 . 1 . 1 136 136 GLN N N 15 123.503 0.035 . 1 . . . . . 136 Gln N . 28046 2 1383 . 1 . 1 136 136 GLN NE2 N 15 110.526 0.027 . 1 . . . . . 136 Gln NE2 . 28046 2 1384 . 1 . 1 137 137 VAL H H 1 7.352 0.007 . 1 . . . . . 137 Val H . 28046 2 1385 . 1 . 1 137 137 VAL HA H 1 3.845 0.005 . 1 . . . . . 137 Val HA . 28046 2 1386 . 1 . 1 137 137 VAL HB H 1 1.827 0.008 . 1 . . . . . 137 Val HB . 28046 2 1387 . 1 . 1 137 137 VAL HG11 H 1 -0.118 0.004 . 2 . . . . . 137 Val HG11 . 28046 2 1388 . 1 . 1 137 137 VAL HG12 H 1 -0.118 0.004 . 2 . . . . . 137 Val HG12 . 28046 2 1389 . 1 . 1 137 137 VAL HG13 H 1 -0.118 0.004 . 2 . . . . . 137 Val HG13 . 28046 2 1390 . 1 . 1 137 137 VAL HG21 H 1 0.716 0.006 . 2 . . . . . 137 Val HG21 . 28046 2 1391 . 1 . 1 137 137 VAL HG22 H 1 0.716 0.006 . 2 . . . . . 137 Val HG22 . 28046 2 1392 . 1 . 1 137 137 VAL HG23 H 1 0.716 0.006 . 2 . . . . . 137 Val HG23 . 28046 2 1393 . 1 . 1 137 137 VAL CA C 13 60.782 0.058 . 1 . . . . . 137 Val CA . 28046 2 1394 . 1 . 1 137 137 VAL CB C 13 33.261 0.060 . 1 . . . . . 137 Val CB . 28046 2 1395 . 1 . 1 137 137 VAL CG1 C 13 19.150 0.042 . 2 . . . . . 137 Val CG1 . 28046 2 1396 . 1 . 1 137 137 VAL CG2 C 13 19.830 0.036 . 2 . . . . . 137 Val CG2 . 28046 2 1397 . 1 . 1 137 137 VAL N N 15 121.084 0.046 . 1 . . . . . 137 Val N . 28046 2 1398 . 1 . 1 138 138 SER H H 1 9.073 0.004 . 1 . . . . . 138 Ser H . 28046 2 1399 . 1 . 1 138 138 SER HA H 1 4.233 0.008 . 1 . . . . . 138 Ser HA . 28046 2 1400 . 1 . 1 138 138 SER HB2 H 1 3.867 0.006 . 2 . . . . . 138 Ser HB2 . 28046 2 1401 . 1 . 1 138 138 SER HB3 H 1 4.162 0.007 . 2 . . . . . 138 Ser HB3 . 28046 2 1402 . 1 . 1 138 138 SER CA C 13 57.623 0.058 . 1 . . . . . 138 Ser CA . 28046 2 1403 . 1 . 1 138 138 SER CB C 13 64.510 0.064 . 1 . . . . . 138 Ser CB . 28046 2 1404 . 1 . 1 138 138 SER N N 15 123.671 0.045 . 1 . . . . . 138 Ser N . 28046 2 1405 . 1 . 1 139 139 VAL H H 1 8.635 0.003 . 1 . . . . . 139 Val H . 28046 2 1406 . 1 . 1 139 139 VAL HA H 1 3.466 0.006 . 1 . . . . . 139 Val HA . 28046 2 1407 . 1 . 1 139 139 VAL HB H 1 1.866 0.004 . 1 . . . . . 139 Val HB . 28046 2 1408 . 1 . 1 139 139 VAL HG11 H 1 0.916 0.006 . 2 . . . . . 139 Val HG11 . 28046 2 1409 . 1 . 1 139 139 VAL HG12 H 1 0.916 0.006 . 2 . . . . . 139 Val HG12 . 28046 2 1410 . 1 . 1 139 139 VAL HG13 H 1 0.916 0.006 . 2 . . . . . 139 Val HG13 . 28046 2 1411 . 1 . 1 139 139 VAL HG21 H 1 1.134 0.005 . 2 . . . . . 139 Val HG21 . 28046 2 1412 . 1 . 1 139 139 VAL HG22 H 1 1.134 0.005 . 2 . . . . . 139 Val HG22 . 28046 2 1413 . 1 . 1 139 139 VAL HG23 H 1 1.134 0.005 . 2 . . . . . 139 Val HG23 . 28046 2 1414 . 1 . 1 139 139 VAL CA C 13 66.073 0.071 . 1 . . . . . 139 Val CA . 28046 2 1415 . 1 . 1 139 139 VAL CB C 13 31.692 0.039 . 1 . . . . . 139 Val CB . 28046 2 1416 . 1 . 1 139 139 VAL CG1 C 13 21.188 0.031 . 2 . . . . . 139 Val CG1 . 28046 2 1417 . 1 . 1 139 139 VAL CG2 C 13 22.166 0.039 . 2 . . . . . 139 Val CG2 . 28046 2 1418 . 1 . 1 139 139 VAL N N 15 122.328 0.028 . 1 . . . . . 139 Val N . 28046 2 1419 . 1 . 1 140 140 GLU H H 1 8.207 0.006 . 1 . . . . . 140 Glu H . 28046 2 1420 . 1 . 1 140 140 GLU HA H 1 3.719 0.005 . 1 . . . . . 140 Glu HA . 28046 2 1421 . 1 . 1 140 140 GLU HB2 H 1 1.729 0.007 . 2 . . . . . 140 Glu HB2 . 28046 2 1422 . 1 . 1 140 140 GLU HB3 H 1 1.869 0.002 . 2 . . . . . 140 Glu HB3 . 28046 2 1423 . 1 . 1 140 140 GLU HG2 H 1 2.101 0.008 . 2 . . . . . 140 Glu HG2 . 28046 2 1424 . 1 . 1 140 140 GLU HG3 H 1 2.157 0.012 . 2 . . . . . 140 Glu HG3 . 28046 2 1425 . 1 . 1 140 140 GLU CA C 13 59.732 0.057 . 1 . . . . . 140 Glu CA . 28046 2 1426 . 1 . 1 140 140 GLU CB C 13 29.070 0.072 . 1 . . . . . 140 Glu CB . 28046 2 1427 . 1 . 1 140 140 GLU CG C 13 36.300 0.026 . 1 . . . . . 140 Glu CG . 28046 2 1428 . 1 . 1 140 140 GLU N N 15 115.734 0.049 . 1 . . . . . 140 Glu N . 28046 2 1429 . 1 . 1 141 141 GLU H H 1 7.824 0.004 . 1 . . . . . 141 Glu H . 28046 2 1430 . 1 . 1 141 141 GLU HA H 1 3.841 0.006 . 1 . . . . . 141 Glu HA . 28046 2 1431 . 1 . 1 141 141 GLU HB2 H 1 1.505 0.005 . 2 . . . . . 141 Glu HB2 . 28046 2 1432 . 1 . 1 141 141 GLU HB3 H 1 1.865 0.005 . 2 . . . . . 141 Glu HB3 . 28046 2 1433 . 1 . 1 141 141 GLU HG2 H 1 1.807 0.002 . 2 . . . . . 141 Glu HG2 . 28046 2 1434 . 1 . 1 141 141 GLU HG3 H 1 2.111 0.005 . 2 . . . . . 141 Glu HG3 . 28046 2 1435 . 1 . 1 141 141 GLU CA C 13 58.581 0.041 . 1 . . . . . 141 Glu CA . 28046 2 1436 . 1 . 1 141 141 GLU CB C 13 28.887 0.054 . 1 . . . . . 141 Glu CB . 28046 2 1437 . 1 . 1 141 141 GLU CG C 13 36.105 0.050 . 1 . . . . . 141 Glu CG . 28046 2 1438 . 1 . 1 141 141 GLU N N 15 119.492 0.024 . 1 . . . . . 141 Glu N . 28046 2 1439 . 1 . 1 142 142 ALA H H 1 7.275 0.005 . 1 . . . . . 142 Ala H . 28046 2 1440 . 1 . 1 142 142 ALA HA H 1 3.598 0.007 . 1 . . . . . 142 Ala HA . 28046 2 1441 . 1 . 1 142 142 ALA HB1 H 1 0.468 0.005 . 1 . . . . . 142 Ala HB1 . 28046 2 1442 . 1 . 1 142 142 ALA HB2 H 1 0.468 0.005 . 1 . . . . . 142 Ala HB2 . 28046 2 1443 . 1 . 1 142 142 ALA HB3 H 1 0.468 0.005 . 1 . . . . . 142 Ala HB3 . 28046 2 1444 . 1 . 1 142 142 ALA CA C 13 54.949 0.047 . 1 . . . . . 142 Ala CA . 28046 2 1445 . 1 . 1 142 142 ALA CB C 13 17.258 0.047 . 1 . . . . . 142 Ala CB . 28046 2 1446 . 1 . 1 142 142 ALA N N 15 124.406 0.041 . 1 . . . . . 142 Ala N . 28046 2 1447 . 1 . 1 143 143 LYS H H 1 8.568 0.003 . 1 . . . . . 143 Lys H . 28046 2 1448 . 1 . 1 143 143 LYS HA H 1 3.610 0.004 . 1 . . . . . 143 Lys HA . 28046 2 1449 . 1 . 1 143 143 LYS HB2 H 1 1.727 0.010 . 2 . . . . . 143 Lys HB2 . 28046 2 1450 . 1 . 1 143 143 LYS HB3 H 1 1.773 0.008 . 2 . . . . . 143 Lys HB3 . 28046 2 1451 . 1 . 1 143 143 LYS HG2 H 1 1.427 0.003 . 2 . . . . . 143 Lys HG2 . 28046 2 1452 . 1 . 1 143 143 LYS HG3 H 1 1.549 0.007 . 2 . . . . . 143 Lys HG3 . 28046 2 1453 . 1 . 1 143 143 LYS HD2 H 1 1.563 0.005 . 2 . . . . . 143 Lys HD2 . 28046 2 1454 . 1 . 1 143 143 LYS HD3 H 1 1.748 0.002 . 2 . . . . . 143 Lys HD3 . 28046 2 1455 . 1 . 1 143 143 LYS HE2 H 1 2.970 0.011 . 2 . . . . . 143 Lys HE2 . 28046 2 1456 . 1 . 1 143 143 LYS HE3 H 1 2.994 0.006 . 2 . . . . . 143 Lys HE3 . 28046 2 1457 . 1 . 1 143 143 LYS CA C 13 59.083 0.076 . 1 . . . . . 143 Lys CA . 28046 2 1458 . 1 . 1 143 143 LYS CB C 13 31.866 0.025 . 1 . . . . . 143 Lys CB . 28046 2 1459 . 1 . 1 143 143 LYS CG C 13 25.664 0.045 . 1 . . . . . 143 Lys CG . 28046 2 1460 . 1 . 1 143 143 LYS CD C 13 28.944 0.085 . 1 . . . . . 143 Lys CD . 28046 2 1461 . 1 . 1 143 143 LYS CE C 13 41.942 0.029 . 1 . . . . . 143 Lys CE . 28046 2 1462 . 1 . 1 143 143 LYS N N 15 117.853 0.046 . 1 . . . . . 143 Lys N . 28046 2 1463 . 1 . 1 144 144 ASN H H 1 8.013 0.005 . 1 . . . . . 144 Asn H . 28046 2 1464 . 1 . 1 144 144 ASN HA H 1 4.267 0.007 . 1 . . . . . 144 Asn HA . 28046 2 1465 . 1 . 1 144 144 ASN HB2 H 1 2.553 0.005 . 2 . . . . . 144 Asn HB2 . 28046 2 1466 . 1 . 1 144 144 ASN HB3 H 1 2.715 0.004 . 2 . . . . . 144 Asn HB3 . 28046 2 1467 . 1 . 1 144 144 ASN HD21 H 1 7.534 0.003 . 1 . . . . . 144 Asn HD21 . 28046 2 1468 . 1 . 1 144 144 ASN HD22 H 1 6.767 0.003 . 1 . . . . . 144 Asn HD22 . 28046 2 1469 . 1 . 1 144 144 ASN CA C 13 55.927 0.074 . 1 . . . . . 144 Asn CA . 28046 2 1470 . 1 . 1 144 144 ASN CB C 13 37.988 0.042 . 1 . . . . . 144 Asn CB . 28046 2 1471 . 1 . 1 144 144 ASN N N 15 116.439 0.037 . 1 . . . . . 144 Asn N . 28046 2 1472 . 1 . 1 144 144 ASN ND2 N 15 111.976 0.025 . 1 . . . . . 144 Asn ND2 . 28046 2 1473 . 1 . 1 145 145 ARG H H 1 7.180 0.004 . 1 . . . . . 145 Arg H . 28046 2 1474 . 1 . 1 145 145 ARG HA H 1 3.410 0.007 . 1 . . . . . 145 Arg HA . 28046 2 1475 . 1 . 1 145 145 ARG HB2 H 1 1.492 0.011 . 1 . . . . . 145 Arg HB2 . 28046 2 1476 . 1 . 1 145 145 ARG HB3 H 1 1.492 0.011 . 1 . . . . . 145 Arg HB3 . 28046 2 1477 . 1 . 1 145 145 ARG HG2 H 1 -0.115 0.010 . 2 . . . . . 145 Arg HG2 . 28046 2 1478 . 1 . 1 145 145 ARG HG3 H 1 -0.107 0.011 . 2 . . . . . 145 Arg HG3 . 28046 2 1479 . 1 . 1 145 145 ARG HD2 H 1 1.808 0.004 . 2 . . . . . 145 Arg HD2 . 28046 2 1480 . 1 . 1 145 145 ARG HD3 H 1 2.258 0.003 . 2 . . . . . 145 Arg HD3 . 28046 2 1481 . 1 . 1 145 145 ARG CA C 13 58.191 0.051 . 1 . . . . . 145 Arg CA . 28046 2 1482 . 1 . 1 145 145 ARG CB C 13 28.707 0.100 . 1 . . . . . 145 Arg CB . 28046 2 1483 . 1 . 1 145 145 ARG CG C 13 23.859 0.028 . 1 . . . . . 145 Arg CG . 28046 2 1484 . 1 . 1 145 145 ARG CD C 13 41.537 0.041 . 1 . . . . . 145 Arg CD . 28046 2 1485 . 1 . 1 145 145 ARG N N 15 120.794 0.046 . 1 . . . . . 145 Arg N . 28046 2 1486 . 1 . 1 146 146 ALA H H 1 7.867 0.004 . 1 . . . . . 146 Ala H . 28046 2 1487 . 1 . 1 146 146 ALA HA H 1 3.669 0.008 . 1 . . . . . 146 Ala HA . 28046 2 1488 . 1 . 1 146 146 ALA HB1 H 1 1.494 0.005 . 1 . . . . . 146 Ala HB1 . 28046 2 1489 . 1 . 1 146 146 ALA HB2 H 1 1.494 0.005 . 1 . . . . . 146 Ala HB2 . 28046 2 1490 . 1 . 1 146 146 ALA HB3 H 1 1.494 0.005 . 1 . . . . . 146 Ala HB3 . 28046 2 1491 . 1 . 1 146 146 ALA CA C 13 54.979 0.048 . 1 . . . . . 146 Ala CA . 28046 2 1492 . 1 . 1 146 146 ALA CB C 13 18.206 0.043 . 1 . . . . . 146 Ala CB . 28046 2 1493 . 1 . 1 146 146 ALA N N 15 120.211 0.037 . 1 . . . . . 146 Ala N . 28046 2 1494 . 1 . 1 147 147 ASP H H 1 8.647 0.004 . 1 . . . . . 147 Asp H . 28046 2 1495 . 1 . 1 147 147 ASP HA H 1 4.420 0.003 . 1 . . . . . 147 Asp HA . 28046 2 1496 . 1 . 1 147 147 ASP HB2 H 1 2.570 0.009 . 2 . . . . . 147 Asp HB2 . 28046 2 1497 . 1 . 1 147 147 ASP HB3 H 1 2.762 0.005 . 2 . . . . . 147 Asp HB3 . 28046 2 1498 . 1 . 1 147 147 ASP CA C 13 57.019 0.054 . 1 . . . . . 147 Asp CA . 28046 2 1499 . 1 . 1 147 147 ASP CB C 13 39.994 0.035 . 1 . . . . . 147 Asp CB . 28046 2 1500 . 1 . 1 147 147 ASP N N 15 117.232 0.033 . 1 . . . . . 147 Asp N . 28046 2 1501 . 1 . 1 148 148 GLN H H 1 7.702 0.006 . 1 . . . . . 148 Gln H . 28046 2 1502 . 1 . 1 148 148 GLN HA H 1 3.916 0.004 . 1 . . . . . 148 Gln HA . 28046 2 1503 . 1 . 1 148 148 GLN HB2 H 1 1.954 0.002 . 2 . . . . . 148 Gln HB2 . 28046 2 1504 . 1 . 1 148 148 GLN HB3 H 1 2.033 0.007 . 2 . . . . . 148 Gln HB3 . 28046 2 1505 . 1 . 1 148 148 GLN HG2 H 1 2.284 0.004 . 2 . . . . . 148 Gln HG2 . 28046 2 1506 . 1 . 1 148 148 GLN HG3 H 1 2.408 0.008 . 2 . . . . . 148 Gln HG3 . 28046 2 1507 . 1 . 1 148 148 GLN HE21 H 1 6.674 0.002 . 1 . . . . . 148 Gln HE21 . 28046 2 1508 . 1 . 1 148 148 GLN HE22 H 1 7.226 0.002 . 1 . . . . . 148 Gln HE22 . 28046 2 1509 . 1 . 1 148 148 GLN CA C 13 58.429 0.050 . 1 . . . . . 148 Gln CA . 28046 2 1510 . 1 . 1 148 148 GLN CB C 13 27.706 0.041 . 1 . . . . . 148 Gln CB . 28046 2 1511 . 1 . 1 148 148 GLN CG C 13 33.683 0.026 . 1 . . . . . 148 Gln CG . 28046 2 1512 . 1 . 1 148 148 GLN N N 15 120.533 0.062 . 1 . . . . . 148 Gln N . 28046 2 1513 . 1 . 1 148 148 GLN NE2 N 15 111.217 0.007 . 1 . . . . . 148 Gln NE2 . 28046 2 1514 . 1 . 1 149 149 TRP H H 1 7.666 0.003 . 1 . . . . . 149 Trp H . 28046 2 1515 . 1 . 1 149 149 TRP HA H 1 4.644 0.009 . 1 . . . . . 149 Trp HA . 28046 2 1516 . 1 . 1 149 149 TRP HB2 H 1 2.907 0.007 . 2 . . . . . 149 Trp HB2 . 28046 2 1517 . 1 . 1 149 149 TRP HB3 H 1 3.155 0.010 . 2 . . . . . 149 Trp HB3 . 28046 2 1518 . 1 . 1 149 149 TRP HD1 H 1 6.751 0.004 . 1 . . . . . 149 Trp HD1 . 28046 2 1519 . 1 . 1 149 149 TRP HE1 H 1 9.879 0.001 . 1 . . . . . 149 Trp HE1 . 28046 2 1520 . 1 . 1 149 149 TRP HE3 H 1 7.059 0.003 . 1 . . . . . 149 Trp HE3 . 28046 2 1521 . 1 . 1 149 149 TRP HZ2 H 1 7.036 0.002 . 1 . . . . . 149 Trp HZ2 . 28046 2 1522 . 1 . 1 149 149 TRP HZ3 H 1 6.929 0.006 . 1 . . . . . 149 Trp HZ3 . 28046 2 1523 . 1 . 1 149 149 TRP HH2 H 1 6.770 0.005 . 1 . . . . . 149 Trp HH2 . 28046 2 1524 . 1 . 1 149 149 TRP CA C 13 54.205 0.099 . 1 . . . . . 149 Trp CA . 28046 2 1525 . 1 . 1 149 149 TRP CB C 13 30.299 0.069 . 1 . . . . . 149 Trp CB . 28046 2 1526 . 1 . 1 149 149 TRP CD1 C 13 122.906 0.049 . 1 . . . . . 149 Trp CD1 . 28046 2 1527 . 1 . 1 149 149 TRP CE3 C 13 119.280 0.087 . 1 . . . . . 149 Trp CE3 . 28046 2 1528 . 1 . 1 149 149 TRP CZ2 C 13 113.359 0.036 . 1 . . . . . 149 Trp CZ2 . 28046 2 1529 . 1 . 1 149 149 TRP CZ3 C 13 120.404 0.063 . 1 . . . . . 149 Trp CZ3 . 28046 2 1530 . 1 . 1 149 149 TRP CH2 C 13 123.327 0.074 . 1 . . . . . 149 Trp CH2 . 28046 2 1531 . 1 . 1 149 149 TRP N N 15 118.720 0.023 . 1 . . . . . 149 Trp N . 28046 2 1532 . 1 . 1 149 149 TRP NE1 N 15 126.716 0.031 . 1 . . . . . 149 Trp NE1 . 28046 2 1533 . 1 . 1 150 150 ASN H H 1 8.203 0.005 . 1 . . . . . 150 Asn H . 28046 2 1534 . 1 . 1 150 150 ASN HA H 1 4.417 0.004 . 1 . . . . . 150 Asn HA . 28046 2 1535 . 1 . 1 150 150 ASN HB2 H 1 2.753 0.009 . 2 . . . . . 150 Asn HB2 . 28046 2 1536 . 1 . 1 150 150 ASN HB3 H 1 3.124 0.005 . 2 . . . . . 150 Asn HB3 . 28046 2 1537 . 1 . 1 150 150 ASN HD21 H 1 7.495 0.002 . 1 . . . . . 150 Asn HD21 . 28046 2 1538 . 1 . 1 150 150 ASN HD22 H 1 6.668 0.002 . 1 . . . . . 150 Asn HD22 . 28046 2 1539 . 1 . 1 150 150 ASN CA C 13 54.240 0.056 . 1 . . . . . 150 Asn CA . 28046 2 1540 . 1 . 1 150 150 ASN CB C 13 37.319 0.046 . 1 . . . . . 150 Asn CB . 28046 2 1541 . 1 . 1 150 150 ASN N N 15 117.189 0.032 . 1 . . . . . 150 Asn N . 28046 2 1542 . 1 . 1 150 150 ASN ND2 N 15 112.204 0.014 . 1 . . . . . 150 Asn ND2 . 28046 2 1543 . 1 . 1 151 151 VAL H H 1 8.346 0.004 . 1 . . . . . 151 Val H . 28046 2 1544 . 1 . 1 151 151 VAL HA H 1 4.944 0.004 . 1 . . . . . 151 Val HA . 28046 2 1545 . 1 . 1 151 151 VAL HB H 1 2.783 0.005 . 1 . . . . . 151 Val HB . 28046 2 1546 . 1 . 1 151 151 VAL HG11 H 1 0.990 0.007 . 2 . . . . . 151 Val HG11 . 28046 2 1547 . 1 . 1 151 151 VAL HG12 H 1 0.990 0.007 . 2 . . . . . 151 Val HG12 . 28046 2 1548 . 1 . 1 151 151 VAL HG13 H 1 0.990 0.007 . 2 . . . . . 151 Val HG13 . 28046 2 1549 . 1 . 1 151 151 VAL HG21 H 1 1.169 0.007 . 2 . . . . . 151 Val HG21 . 28046 2 1550 . 1 . 1 151 151 VAL HG22 H 1 1.169 0.007 . 2 . . . . . 151 Val HG22 . 28046 2 1551 . 1 . 1 151 151 VAL HG23 H 1 1.169 0.007 . 2 . . . . . 151 Val HG23 . 28046 2 1552 . 1 . 1 151 151 VAL CA C 13 58.417 0.064 . 1 . . . . . 151 Val CA . 28046 2 1553 . 1 . 1 151 151 VAL CB C 13 35.608 0.037 . 1 . . . . . 151 Val CB . 28046 2 1554 . 1 . 1 151 151 VAL CG1 C 13 22.032 0.035 . 2 . . . . . 151 Val CG1 . 28046 2 1555 . 1 . 1 151 151 VAL CG2 C 13 18.716 0.034 . 2 . . . . . 151 Val CG2 . 28046 2 1556 . 1 . 1 151 151 VAL N N 15 110.248 0.032 . 1 . . . . . 151 Val N . 28046 2 1557 . 1 . 1 152 152 ASN H H 1 8.953 0.004 . 1 . . . . . 152 Asn H . 28046 2 1558 . 1 . 1 152 152 ASN HA H 1 4.926 0.004 . 1 . . . . . 152 Asn HA . 28046 2 1559 . 1 . 1 152 152 ASN HB2 H 1 2.542 0.014 . 2 . . . . . 152 Asn HB2 . 28046 2 1560 . 1 . 1 152 152 ASN HB3 H 1 2.614 0.010 . 2 . . . . . 152 Asn HB3 . 28046 2 1561 . 1 . 1 152 152 ASN HD21 H 1 6.878 0.012 . 1 . . . . . 152 Asn HD21 . 28046 2 1562 . 1 . 1 152 152 ASN HD22 H 1 7.608 0.006 . 1 . . . . . 152 Asn HD22 . 28046 2 1563 . 1 . 1 152 152 ASN CA C 13 52.570 0.075 . 1 . . . . . 152 Asn CA . 28046 2 1564 . 1 . 1 152 152 ASN CB C 13 39.959 0.034 . 1 . . . . . 152 Asn CB . 28046 2 1565 . 1 . 1 152 152 ASN N N 15 118.101 0.024 . 1 . . . . . 152 Asn N . 28046 2 1566 . 1 . 1 152 152 ASN ND2 N 15 113.998 0.017 . 1 . . . . . 152 Asn ND2 . 28046 2 1567 . 1 . 1 153 153 TYR H H 1 8.133 0.007 . 1 . . . . . 153 Tyr H . 28046 2 1568 . 1 . 1 153 153 TYR HA H 1 5.921 0.006 . 1 . . . . . 153 Tyr HA . 28046 2 1569 . 1 . 1 153 153 TYR HB2 H 1 2.568 0.008 . 2 . . . . . 153 Tyr HB2 . 28046 2 1570 . 1 . 1 153 153 TYR HB3 H 1 2.816 0.013 . 2 . . . . . 153 Tyr HB3 . 28046 2 1571 . 1 . 1 153 153 TYR HD1 H 1 7.441 0.009 . 1 . . . . . 153 Tyr HD1 . 28046 2 1572 . 1 . 1 153 153 TYR HD2 H 1 7.441 0.009 . 1 . . . . . 153 Tyr HD2 . 28046 2 1573 . 1 . 1 153 153 TYR HE1 H 1 6.644 0.013 . 1 . . . . . 153 Tyr HE1 . 28046 2 1574 . 1 . 1 153 153 TYR HE2 H 1 6.644 0.013 . 1 . . . . . 153 Tyr HE2 . 28046 2 1575 . 1 . 1 153 153 TYR HH H 1 11.483 0.004 . 1 . . . . . 153 Tyr HH . 28046 2 1576 . 1 . 1 153 153 TYR CA C 13 54.859 0.041 . 1 . . . . . 153 Tyr CA . 28046 2 1577 . 1 . 1 153 153 TYR CB C 13 40.984 0.055 . 1 . . . . . 153 Tyr CB . 28046 2 1578 . 1 . 1 153 153 TYR CD1 C 13 132.037 0.095 . 1 . . . . . 153 Tyr CD1 . 28046 2 1579 . 1 . 1 153 153 TYR CD2 C 13 132.037 0.095 . 1 . . . . . 153 Tyr CD2 . 28046 2 1580 . 1 . 1 153 153 TYR CE1 C 13 119.126 0.087 . 1 . . . . . 153 Tyr CE1 . 28046 2 1581 . 1 . 1 153 153 TYR CE2 C 13 119.126 0.087 . 1 . . . . . 153 Tyr CE2 . 28046 2 1582 . 1 . 1 153 153 TYR N N 15 118.943 0.036 . 1 . . . . . 153 Tyr N . 28046 2 1583 . 1 . 1 154 154 VAL H H 1 8.060 0.004 . 1 . . . . . 154 Val H . 28046 2 1584 . 1 . 1 154 154 VAL HA H 1 3.670 0.005 . 1 . . . . . 154 Val HA . 28046 2 1585 . 1 . 1 154 154 VAL HB H 1 1.345 0.009 . 1 . . . . . 154 Val HB . 28046 2 1586 . 1 . 1 154 154 VAL HG11 H 1 0.588 0.004 . 2 . . . . . 154 Val HG11 . 28046 2 1587 . 1 . 1 154 154 VAL HG12 H 1 0.588 0.004 . 2 . . . . . 154 Val HG12 . 28046 2 1588 . 1 . 1 154 154 VAL HG13 H 1 0.588 0.004 . 2 . . . . . 154 Val HG13 . 28046 2 1589 . 1 . 1 154 154 VAL HG21 H 1 0.664 0.006 . 2 . . . . . 154 Val HG21 . 28046 2 1590 . 1 . 1 154 154 VAL HG22 H 1 0.664 0.006 . 2 . . . . . 154 Val HG22 . 28046 2 1591 . 1 . 1 154 154 VAL HG23 H 1 0.664 0.006 . 2 . . . . . 154 Val HG23 . 28046 2 1592 . 1 . 1 154 154 VAL CA C 13 60.131 0.058 . 1 . . . . . 154 Val CA . 28046 2 1593 . 1 . 1 154 154 VAL CB C 13 36.069 0.038 . 1 . . . . . 154 Val CB . 28046 2 1594 . 1 . 1 154 154 VAL CG1 C 13 21.917 0.033 . 2 . . . . . 154 Val CG1 . 28046 2 1595 . 1 . 1 154 154 VAL CG2 C 13 21.861 0.033 . 2 . . . . . 154 Val CG2 . 28046 2 1596 . 1 . 1 154 154 VAL N N 15 128.741 0.041 . 1 . . . . . 154 Val N . 28046 2 1597 . 1 . 1 155 155 GLU H H 1 8.171 0.004 . 1 . . . . . 155 Glu H . 28046 2 1598 . 1 . 1 155 155 GLU HA H 1 5.137 0.005 . 1 . . . . . 155 Glu HA . 28046 2 1599 . 1 . 1 155 155 GLU HB2 H 1 1.629 0.005 . 1 . . . . . 155 Glu HB2 . 28046 2 1600 . 1 . 1 155 155 GLU HB3 H 1 1.629 0.005 . 1 . . . . . 155 Glu HB3 . 28046 2 1601 . 1 . 1 155 155 GLU HG2 H 1 2.157 0.005 . 1 . . . . . 155 Glu HG2 . 28046 2 1602 . 1 . 1 155 155 GLU HG3 H 1 2.157 0.005 . 1 . . . . . 155 Glu HG3 . 28046 2 1603 . 1 . 1 155 155 GLU CA C 13 54.702 0.052 . 1 . . . . . 155 Glu CA . 28046 2 1604 . 1 . 1 155 155 GLU CB C 13 30.375 0.060 . 1 . . . . . 155 Glu CB . 28046 2 1605 . 1 . 1 155 155 GLU CG C 13 36.049 0.038 . 1 . . . . . 155 Glu CG . 28046 2 1606 . 1 . 1 155 155 GLU N N 15 123.076 0.036 . 1 . . . . . 155 Glu N . 28046 2 1607 . 1 . 1 156 156 THR H H 1 8.902 0.010 . 1 . . . . . 156 Thr H . 28046 2 1608 . 1 . 1 156 156 THR HA H 1 4.745 0.009 . 1 . . . . . 156 Thr HA . 28046 2 1609 . 1 . 1 156 156 THR HB H 1 3.831 0.007 . 1 . . . . . 156 Thr HB . 28046 2 1610 . 1 . 1 156 156 THR HG21 H 1 0.637 0.009 . 1 . . . . . 156 Thr HG21 . 28046 2 1611 . 1 . 1 156 156 THR HG22 H 1 0.637 0.009 . 1 . . . . . 156 Thr HG22 . 28046 2 1612 . 1 . 1 156 156 THR HG23 H 1 0.637 0.009 . 1 . . . . . 156 Thr HG23 . 28046 2 1613 . 1 . 1 156 156 THR CA C 13 59.105 0.091 . 1 . . . . . 156 Thr CA . 28046 2 1614 . 1 . 1 156 156 THR CB C 13 73.065 0.083 . 1 . . . . . 156 Thr CB . 28046 2 1615 . 1 . 1 156 156 THR CG2 C 13 22.583 0.051 . 1 . . . . . 156 Thr CG2 . 28046 2 1616 . 1 . 1 156 156 THR N N 15 114.629 0.037 . 1 . . . . . 156 Thr N . 28046 2 1617 . 1 . 1 157 157 SER H H 1 7.986 0.007 . 1 . . . . . 157 Ser H . 28046 2 1618 . 1 . 1 157 157 SER HA H 1 4.874 0.001 . 1 . . . . . 157 Ser HA . 28046 2 1619 . 1 . 1 157 157 SER HB2 H 1 3.936 0.001 . 1 . . . . . 157 Ser HB2 . 28046 2 1620 . 1 . 1 157 157 SER HB3 H 1 3.936 0.001 . 1 . . . . . 157 Ser HB3 . 28046 2 1621 . 1 . 1 157 157 SER CA C 13 57.025 0.019 . 1 . . . . . 157 Ser CA . 28046 2 1622 . 1 . 1 157 157 SER CB C 13 64.061 0.010 . 1 . . . . . 157 Ser CB . 28046 2 1623 . 1 . 1 157 157 SER N N 15 110.537 0.036 . 1 . . . . . 157 Ser N . 28046 2 1624 . 1 . 1 158 158 ALA H H 1 8.990 0.005 . 1 . . . . . 158 Ala H . 28046 2 1625 . 1 . 1 158 158 ALA HA H 1 3.817 0.005 . 1 . . . . . 158 Ala HA . 28046 2 1626 . 1 . 1 158 158 ALA HB1 H 1 1.442 0.005 . 1 . . . . . 158 Ala HB1 . 28046 2 1627 . 1 . 1 158 158 ALA HB2 H 1 1.442 0.005 . 1 . . . . . 158 Ala HB2 . 28046 2 1628 . 1 . 1 158 158 ALA HB3 H 1 1.442 0.005 . 1 . . . . . 158 Ala HB3 . 28046 2 1629 . 1 . 1 158 158 ALA CA C 13 54.360 0.059 . 1 . . . . . 158 Ala CA . 28046 2 1630 . 1 . 1 158 158 ALA CB C 13 18.463 0.026 . 1 . . . . . 158 Ala CB . 28046 2 1631 . 1 . 1 158 158 ALA N N 15 131.950 0.025 . 1 . . . . . 158 Ala N . 28046 2 1632 . 1 . 1 159 159 LYS H H 1 6.867 0.004 . 1 . . . . . 159 Lys H . 28046 2 1633 . 1 . 1 159 159 LYS HA H 1 2.379 0.002 . 1 . . . . . 159 Lys HA . 28046 2 1634 . 1 . 1 159 159 LYS HB2 H 1 0.348 0.012 . 2 . . . . . 159 Lys HB2 . 28046 2 1635 . 1 . 1 159 159 LYS HB3 H 1 0.967 0.006 . 2 . . . . . 159 Lys HB3 . 28046 2 1636 . 1 . 1 159 159 LYS HG2 H 1 0.396 0.010 . 2 . . . . . 159 Lys HG2 . 28046 2 1637 . 1 . 1 159 159 LYS HG3 H 1 0.602 0.013 . 2 . . . . . 159 Lys HG3 . 28046 2 1638 . 1 . 1 159 159 LYS HD2 H 1 1.179 0.007 . 2 . . . . . 159 Lys HD2 . 28046 2 1639 . 1 . 1 159 159 LYS HD3 H 1 1.319 0.005 . 2 . . . . . 159 Lys HD3 . 28046 2 1640 . 1 . 1 159 159 LYS HE2 H 1 2.682 0.008 . 2 . . . . . 159 Lys HE2 . 28046 2 1641 . 1 . 1 159 159 LYS HE3 H 1 2.724 0.012 . 2 . . . . . 159 Lys HE3 . 28046 2 1642 . 1 . 1 159 159 LYS CA C 13 57.829 0.020 . 1 . . . . . 159 Lys CA . 28046 2 1643 . 1 . 1 159 159 LYS CB C 13 33.706 0.069 . 1 . . . . . 159 Lys CB . 28046 2 1644 . 1 . 1 159 159 LYS CG C 13 24.516 0.060 . 1 . . . . . 159 Lys CG . 28046 2 1645 . 1 . 1 159 159 LYS CD C 13 29.413 0.053 . 1 . . . . . 159 Lys CD . 28046 2 1646 . 1 . 1 159 159 LYS CE C 13 41.948 0.025 . 1 . . . . . 159 Lys CE . 28046 2 1647 . 1 . 1 159 159 LYS N N 15 115.114 0.037 . 1 . . . . . 159 Lys N . 28046 2 1648 . 1 . 1 160 160 THR H H 1 7.689 0.009 . 1 . . . . . 160 Thr H . 28046 2 1649 . 1 . 1 160 160 THR HA H 1 4.044 0.007 . 1 . . . . . 160 Thr HA . 28046 2 1650 . 1 . 1 160 160 THR HB H 1 4.333 0.003 . 1 . . . . . 160 Thr HB . 28046 2 1651 . 1 . 1 160 160 THR HG1 H 1 5.245 0.005 . 1 . . . . . 160 Thr HG1 . 28046 2 1652 . 1 . 1 160 160 THR HG21 H 1 0.957 0.004 . 1 . . . . . 160 Thr HG21 . 28046 2 1653 . 1 . 1 160 160 THR HG22 H 1 0.957 0.004 . 1 . . . . . 160 Thr HG22 . 28046 2 1654 . 1 . 1 160 160 THR HG23 H 1 0.957 0.004 . 1 . . . . . 160 Thr HG23 . 28046 2 1655 . 1 . 1 160 160 THR CA C 13 60.959 0.046 . 1 . . . . . 160 Thr CA . 28046 2 1656 . 1 . 1 160 160 THR CB C 13 69.047 0.031 . 1 . . . . . 160 Thr CB . 28046 2 1657 . 1 . 1 160 160 THR CG2 C 13 21.000 0.031 . 1 . . . . . 160 Thr CG2 . 28046 2 1658 . 1 . 1 160 160 THR N N 15 105.771 0.046 . 1 . . . . . 160 Thr N . 28046 2 1659 . 1 . 1 161 161 ARG H H 1 7.599 0.007 . 1 . . . . . 161 Arg H . 28046 2 1660 . 1 . 1 161 161 ARG HA H 1 3.414 0.006 . 1 . . . . . 161 Arg HA . 28046 2 1661 . 1 . 1 161 161 ARG HB2 H 1 1.684 0.008 . 2 . . . . . 161 Arg HB2 . 28046 2 1662 . 1 . 1 161 161 ARG HB3 H 1 2.119 0.003 . 2 . . . . . 161 Arg HB3 . 28046 2 1663 . 1 . 1 161 161 ARG HG2 H 1 1.176 0.011 . 2 . . . . . 161 Arg HG2 . 28046 2 1664 . 1 . 1 161 161 ARG HG3 H 1 1.705 0.008 . 2 . . . . . 161 Arg HG3 . 28046 2 1665 . 1 . 1 161 161 ARG HD2 H 1 3.028 0.005 . 1 . . . . . 161 Arg HD2 . 28046 2 1666 . 1 . 1 161 161 ARG HD3 H 1 3.028 0.005 . 1 . . . . . 161 Arg HD3 . 28046 2 1667 . 1 . 1 161 161 ARG CA C 13 58.457 0.062 . 1 . . . . . 161 Arg CA . 28046 2 1668 . 1 . 1 161 161 ARG CB C 13 29.809 0.032 . 1 . . . . . 161 Arg CB . 28046 2 1669 . 1 . 1 161 161 ARG CG C 13 31.902 0.048 . 1 . . . . . 161 Arg CG . 28046 2 1670 . 1 . 1 161 161 ARG CD C 13 43.102 0.059 . 1 . . . . . 161 Arg CD . 28046 2 1671 . 1 . 1 161 161 ARG N N 15 118.226 0.039 . 1 . . . . . 161 Arg N . 28046 2 1672 . 1 . 1 162 162 ALA H H 1 7.535 0.004 . 1 . . . . . 162 Ala H . 28046 2 1673 . 1 . 1 162 162 ALA HA H 1 4.047 0.005 . 1 . . . . . 162 Ala HA . 28046 2 1674 . 1 . 1 162 162 ALA HB1 H 1 1.102 0.004 . 1 . . . . . 162 Ala HB1 . 28046 2 1675 . 1 . 1 162 162 ALA HB2 H 1 1.102 0.004 . 1 . . . . . 162 Ala HB2 . 28046 2 1676 . 1 . 1 162 162 ALA HB3 H 1 1.102 0.004 . 1 . . . . . 162 Ala HB3 . 28046 2 1677 . 1 . 1 162 162 ALA CA C 13 53.768 0.024 . 1 . . . . . 162 Ala CA . 28046 2 1678 . 1 . 1 162 162 ALA CB C 13 18.202 0.055 . 1 . . . . . 162 Ala CB . 28046 2 1679 . 1 . 1 162 162 ALA N N 15 126.080 0.032 . 1 . . . . . 162 Ala N . 28046 2 1680 . 1 . 1 163 163 ASN H H 1 8.914 0.005 . 1 . . . . . 163 Asn H . 28046 2 1681 . 1 . 1 163 163 ASN HA H 1 4.523 0.006 . 1 . . . . . 163 Asn HA . 28046 2 1682 . 1 . 1 163 163 ASN HB2 H 1 2.697 0.006 . 2 . . . . . 163 Asn HB2 . 28046 2 1683 . 1 . 1 163 163 ASN HB3 H 1 3.160 0.008 . 2 . . . . . 163 Asn HB3 . 28046 2 1684 . 1 . 1 163 163 ASN HD21 H 1 7.855 0.003 . 1 . . . . . 163 Asn HD21 . 28046 2 1685 . 1 . 1 163 163 ASN HD22 H 1 6.747 0.008 . 1 . . . . . 163 Asn HD22 . 28046 2 1686 . 1 . 1 163 163 ASN CA C 13 54.123 0.056 . 1 . . . . . 163 Asn CA . 28046 2 1687 . 1 . 1 163 163 ASN CB C 13 36.865 0.037 . 1 . . . . . 163 Asn CB . 28046 2 1688 . 1 . 1 163 163 ASN N N 15 115.657 0.031 . 1 . . . . . 163 Asn N . 28046 2 1689 . 1 . 1 163 163 ASN ND2 N 15 111.887 0.049 . 1 . . . . . 163 Asn ND2 . 28046 2 1690 . 1 . 1 164 164 VAL H H 1 7.353 0.007 . 1 . . . . . 164 Val H . 28046 2 1691 . 1 . 1 164 164 VAL HA H 1 3.361 0.005 . 1 . . . . . 164 Val HA . 28046 2 1692 . 1 . 1 164 164 VAL HB H 1 1.826 0.004 . 1 . . . . . 164 Val HB . 28046 2 1693 . 1 . 1 164 164 VAL HG11 H 1 0.707 0.008 . 2 . . . . . 164 Val HG11 . 28046 2 1694 . 1 . 1 164 164 VAL HG12 H 1 0.707 0.008 . 2 . . . . . 164 Val HG12 . 28046 2 1695 . 1 . 1 164 164 VAL HG13 H 1 0.707 0.008 . 2 . . . . . 164 Val HG13 . 28046 2 1696 . 1 . 1 164 164 VAL HG21 H 1 1.000 0.006 . 2 . . . . . 164 Val HG21 . 28046 2 1697 . 1 . 1 164 164 VAL HG22 H 1 1.000 0.006 . 2 . . . . . 164 Val HG22 . 28046 2 1698 . 1 . 1 164 164 VAL HG23 H 1 1.000 0.006 . 2 . . . . . 164 Val HG23 . 28046 2 1699 . 1 . 1 164 164 VAL CA C 13 67.405 0.086 . 1 . . . . . 164 Val CA . 28046 2 1700 . 1 . 1 164 164 VAL CB C 13 31.137 0.020 . 1 . . . . . 164 Val CB . 28046 2 1701 . 1 . 1 164 164 VAL CG1 C 13 24.423 0.043 . 2 . . . . . 164 Val CG1 . 28046 2 1702 . 1 . 1 164 164 VAL CG2 C 13 21.138 0.043 . 2 . . . . . 164 Val CG2 . 28046 2 1703 . 1 . 1 164 164 VAL N N 15 119.795 0.027 . 1 . . . . . 164 Val N . 28046 2 1704 . 1 . 1 165 165 ASP H H 1 8.029 0.004 . 1 . . . . . 165 Asp H . 28046 2 1705 . 1 . 1 165 165 ASP HA H 1 4.478 0.004 . 1 . . . . . 165 Asp HA . 28046 2 1706 . 1 . 1 165 165 ASP HB2 H 1 2.448 0.008 . 2 . . . . . 165 Asp HB2 . 28046 2 1707 . 1 . 1 165 165 ASP HB3 H 1 2.454 0.011 . 2 . . . . . 165 Asp HB3 . 28046 2 1708 . 1 . 1 165 165 ASP CA C 13 57.750 0.067 . 1 . . . . . 165 Asp CA . 28046 2 1709 . 1 . 1 165 165 ASP CB C 13 39.347 0.050 . 1 . . . . . 165 Asp CB . 28046 2 1710 . 1 . 1 165 165 ASP N N 15 116.504 0.023 . 1 . . . . . 165 Asp N . 28046 2 1711 . 1 . 1 166 166 LYS H H 1 7.688 0.007 . 1 . . . . . 166 Lys H . 28046 2 1712 . 1 . 1 166 166 LYS HA H 1 3.858 0.007 . 1 . . . . . 166 Lys HA . 28046 2 1713 . 1 . 1 166 166 LYS HB2 H 1 1.462 0.013 . 2 . . . . . 166 Lys HB2 . 28046 2 1714 . 1 . 1 166 166 LYS HB3 H 1 1.689 0.006 . 2 . . . . . 166 Lys HB3 . 28046 2 1715 . 1 . 1 166 166 LYS HG2 H 1 0.822 0.008 . 2 . . . . . 166 Lys HG2 . 28046 2 1716 . 1 . 1 166 166 LYS HG3 H 1 1.382 0.014 . 2 . . . . . 166 Lys HG3 . 28046 2 1717 . 1 . 1 166 166 LYS HD2 H 1 1.250 0.008 . 2 . . . . . 166 Lys HD2 . 28046 2 1718 . 1 . 1 166 166 LYS HD3 H 1 1.543 0.002 . 2 . . . . . 166 Lys HD3 . 28046 2 1719 . 1 . 1 166 166 LYS HE2 H 1 2.623 0.004 . 2 . . . . . 166 Lys HE2 . 28046 2 1720 . 1 . 1 166 166 LYS HE3 H 1 3.028 0.005 . 2 . . . . . 166 Lys HE3 . 28046 2 1721 . 1 . 1 166 166 LYS CA C 13 59.600 0.070 . 1 . . . . . 166 Lys CA . 28046 2 1722 . 1 . 1 166 166 LYS CB C 13 32.212 0.043 . 1 . . . . . 166 Lys CB . 28046 2 1723 . 1 . 1 166 166 LYS CG C 13 24.766 0.047 . 1 . . . . . 166 Lys CG . 28046 2 1724 . 1 . 1 166 166 LYS CD C 13 29.278 0.028 . 1 . . . . . 166 Lys CD . 28046 2 1725 . 1 . 1 166 166 LYS CE C 13 42.157 0.029 . 1 . . . . . 166 Lys CE . 28046 2 1726 . 1 . 1 166 166 LYS N N 15 117.123 0.032 . 1 . . . . . 166 Lys N . 28046 2 1727 . 1 . 1 167 167 VAL H H 1 7.374 0.007 . 1 . . . . . 167 Val H . 28046 2 1728 . 1 . 1 167 167 VAL HA H 1 3.629 0.003 . 1 . . . . . 167 Val HA . 28046 2 1729 . 1 . 1 167 167 VAL HB H 1 1.638 0.007 . 1 . . . . . 167 Val HB . 28046 2 1730 . 1 . 1 167 167 VAL HG11 H 1 0.620 0.002 . 2 . . . . . 167 Val HG11 . 28046 2 1731 . 1 . 1 167 167 VAL HG12 H 1 0.620 0.002 . 2 . . . . . 167 Val HG12 . 28046 2 1732 . 1 . 1 167 167 VAL HG13 H 1 0.620 0.002 . 2 . . . . . 167 Val HG13 . 28046 2 1733 . 1 . 1 167 167 VAL HG21 H 1 0.682 0.002 . 2 . . . . . 167 Val HG21 . 28046 2 1734 . 1 . 1 167 167 VAL HG22 H 1 0.682 0.002 . 2 . . . . . 167 Val HG22 . 28046 2 1735 . 1 . 1 167 167 VAL HG23 H 1 0.682 0.002 . 2 . . . . . 167 Val HG23 . 28046 2 1736 . 1 . 1 167 167 VAL CA C 13 65.678 0.069 . 1 . . . . . 167 Val CA . 28046 2 1737 . 1 . 1 167 167 VAL CB C 13 30.181 0.050 . 1 . . . . . 167 Val CB . 28046 2 1738 . 1 . 1 167 167 VAL CG1 C 13 18.503 0.034 . 2 . . . . . 167 Val CG1 . 28046 2 1739 . 1 . 1 167 167 VAL CG2 C 13 23.549 0.029 . 2 . . . . . 167 Val CG2 . 28046 2 1740 . 1 . 1 167 167 VAL N N 15 109.324 0.024 . 1 . . . . . 167 Val N . 28046 2 1741 . 1 . 1 168 168 PHE H H 1 6.645 0.003 . 1 . . . . . 168 Phe H . 28046 2 1742 . 1 . 1 168 168 PHE HA H 1 3.627 0.005 . 1 . . . . . 168 Phe HA . 28046 2 1743 . 1 . 1 168 168 PHE HB2 H 1 1.818 0.007 . 2 . . . . . 168 Phe HB2 . 28046 2 1744 . 1 . 1 168 168 PHE HB3 H 1 2.058 0.005 . 2 . . . . . 168 Phe HB3 . 28046 2 1745 . 1 . 1 168 168 PHE HD1 H 1 6.735 0.011 . 1 . . . . . 168 Phe HD1 . 28046 2 1746 . 1 . 1 168 168 PHE HD2 H 1 6.735 0.011 . 1 . . . . . 168 Phe HD2 . 28046 2 1747 . 1 . 1 168 168 PHE HE1 H 1 6.663 0.008 . 1 . . . . . 168 Phe HE1 . 28046 2 1748 . 1 . 1 168 168 PHE HE2 H 1 6.663 0.008 . 1 . . . . . 168 Phe HE2 . 28046 2 1749 . 1 . 1 168 168 PHE HZ H 1 6.670 0.007 . 1 . . . . . 168 Phe HZ . 28046 2 1750 . 1 . 1 168 168 PHE CA C 13 62.941 0.038 . 1 . . . . . 168 Phe CA . 28046 2 1751 . 1 . 1 168 168 PHE CB C 13 39.162 0.043 . 1 . . . . . 168 Phe CB . 28046 2 1752 . 1 . 1 168 168 PHE CD1 C 13 130.627 0.095 . 1 . . . . . 168 Phe CD1 . 28046 2 1753 . 1 . 1 168 168 PHE CD2 C 13 130.627 0.095 . 1 . . . . . 168 Phe CD2 . 28046 2 1754 . 1 . 1 168 168 PHE CE1 C 13 128.213 0.019 . 1 . . . . . 168 Phe CE1 . 28046 2 1755 . 1 . 1 168 168 PHE CE2 C 13 128.213 0.019 . 1 . . . . . 168 Phe CE2 . 28046 2 1756 . 1 . 1 168 168 PHE CZ C 13 129.779 0.047 . 1 . . . . . 168 Phe CZ . 28046 2 1757 . 1 . 1 168 168 PHE N N 15 116.762 0.027 . 1 . . . . . 168 Phe N . 28046 2 1758 . 1 . 1 169 169 PHE H H 1 8.864 0.004 . 1 . . . . . 169 Phe H . 28046 2 1759 . 1 . 1 169 169 PHE HA H 1 4.060 0.007 . 1 . . . . . 169 Phe HA . 28046 2 1760 . 1 . 1 169 169 PHE HB2 H 1 2.826 0.005 . 2 . . . . . 169 Phe HB2 . 28046 2 1761 . 1 . 1 169 169 PHE HB3 H 1 3.207 0.005 . 2 . . . . . 169 Phe HB3 . 28046 2 1762 . 1 . 1 169 169 PHE HD1 H 1 7.368 0.010 . 1 . . . . . 169 Phe HD1 . 28046 2 1763 . 1 . 1 169 169 PHE HD2 H 1 7.368 0.010 . 1 . . . . . 169 Phe HD2 . 28046 2 1764 . 1 . 1 169 169 PHE HE1 H 1 7.402 0.012 . 1 . . . . . 169 Phe HE1 . 28046 2 1765 . 1 . 1 169 169 PHE HE2 H 1 7.402 0.012 . 1 . . . . . 169 Phe HE2 . 28046 2 1766 . 1 . 1 169 169 PHE HZ H 1 7.268 0.006 . 1 . . . . . 169 Phe HZ . 28046 2 1767 . 1 . 1 169 169 PHE CA C 13 61.400 0.076 . 1 . . . . . 169 Phe CA . 28046 2 1768 . 1 . 1 169 169 PHE CB C 13 37.658 0.034 . 1 . . . . . 169 Phe CB . 28046 2 1769 . 1 . 1 169 169 PHE CD1 C 13 130.829 0.070 . 1 . . . . . 169 Phe CD1 . 28046 2 1770 . 1 . 1 169 169 PHE CD2 C 13 130.829 0.070 . 1 . . . . . 169 Phe CD2 . 28046 2 1771 . 1 . 1 169 169 PHE CE1 C 13 130.830 0.048 . 1 . . . . . 169 Phe CE1 . 28046 2 1772 . 1 . 1 169 169 PHE CE2 C 13 130.830 0.048 . 1 . . . . . 169 Phe CE2 . 28046 2 1773 . 1 . 1 169 169 PHE CZ C 13 129.433 0.077 . 1 . . . . . 169 Phe CZ . 28046 2 1774 . 1 . 1 169 169 PHE N N 15 118.956 0.032 . 1 . . . . . 169 Phe N . 28046 2 1775 . 1 . 1 170 170 ASP H H 1 9.419 0.004 . 1 . . . . . 170 Asp H . 28046 2 1776 . 1 . 1 170 170 ASP HA H 1 4.307 0.005 . 1 . . . . . 170 Asp HA . 28046 2 1777 . 1 . 1 170 170 ASP HB2 H 1 2.393 0.007 . 2 . . . . . 170 Asp HB2 . 28046 2 1778 . 1 . 1 170 170 ASP HB3 H 1 2.694 0.006 . 2 . . . . . 170 Asp HB3 . 28046 2 1779 . 1 . 1 170 170 ASP CA C 13 57.375 0.091 . 1 . . . . . 170 Asp CA . 28046 2 1780 . 1 . 1 170 170 ASP CB C 13 38.669 0.046 . 1 . . . . . 170 Asp CB . 28046 2 1781 . 1 . 1 170 170 ASP N N 15 119.699 0.033 . 1 . . . . . 170 Asp N . 28046 2 1782 . 1 . 1 171 171 LEU H H 1 7.498 0.005 . 1 . . . . . 171 Leu H . 28046 2 1783 . 1 . 1 171 171 LEU HA H 1 3.938 0.007 . 1 . . . . . 171 Leu HA . 28046 2 1784 . 1 . 1 171 171 LEU HB2 H 1 1.595 0.005 . 2 . . . . . 171 Leu HB2 . 28046 2 1785 . 1 . 1 171 171 LEU HB3 H 1 1.344 0.012 . 2 . . . . . 171 Leu HB3 . 28046 2 1786 . 1 . 1 171 171 LEU HG H 1 1.211 0.006 . 1 . . . . . 171 Leu HG . 28046 2 1787 . 1 . 1 171 171 LEU HD11 H 1 0.476 0.006 . 2 . . . . . 171 Leu HD11 . 28046 2 1788 . 1 . 1 171 171 LEU HD12 H 1 0.476 0.006 . 2 . . . . . 171 Leu HD12 . 28046 2 1789 . 1 . 1 171 171 LEU HD13 H 1 0.476 0.006 . 2 . . . . . 171 Leu HD13 . 28046 2 1790 . 1 . 1 171 171 LEU HD21 H 1 0.610 0.004 . 2 . . . . . 171 Leu HD21 . 28046 2 1791 . 1 . 1 171 171 LEU HD22 H 1 0.610 0.004 . 2 . . . . . 171 Leu HD22 . 28046 2 1792 . 1 . 1 171 171 LEU HD23 H 1 0.610 0.004 . 2 . . . . . 171 Leu HD23 . 28046 2 1793 . 1 . 1 171 171 LEU CA C 13 57.492 0.036 . 1 . . . . . 171 Leu CA . 28046 2 1794 . 1 . 1 171 171 LEU CB C 13 41.019 0.039 . 1 . . . . . 171 Leu CB . 28046 2 1795 . 1 . 1 171 171 LEU CG C 13 26.245 0.047 . 1 . . . . . 171 Leu CG . 28046 2 1796 . 1 . 1 171 171 LEU CD1 C 13 27.982 0.042 . 2 . . . . . 171 Leu CD1 . 28046 2 1797 . 1 . 1 171 171 LEU CD2 C 13 22.620 0.043 . 2 . . . . . 171 Leu CD2 . 28046 2 1798 . 1 . 1 171 171 LEU N N 15 119.713 0.023 . 1 . . . . . 171 Leu N . 28046 2 1799 . 1 . 1 172 172 MET H H 1 8.121 0.003 . 1 . . . . . 172 Met H . 28046 2 1800 . 1 . 1 172 172 MET HA H 1 3.347 0.012 . 1 . . . . . 172 Met HA . 28046 2 1801 . 1 . 1 172 172 MET HB2 H 1 1.585 0.006 . 2 . . . . . 172 Met HB2 . 28046 2 1802 . 1 . 1 172 172 MET HB3 H 1 2.360 0.014 . 2 . . . . . 172 Met HB3 . 28046 2 1803 . 1 . 1 172 172 MET HG2 H 1 1.813 0.011 . 2 . . . . . 172 Met HG2 . 28046 2 1804 . 1 . 1 172 172 MET HG3 H 1 2.757 0.012 . 2 . . . . . 172 Met HG3 . 28046 2 1805 . 1 . 1 172 172 MET HE1 H 1 1.483 0.003 . 1 . . . . . 172 Met HE1 . 28046 2 1806 . 1 . 1 172 172 MET HE2 H 1 1.483 0.003 . 1 . . . . . 172 Met HE2 . 28046 2 1807 . 1 . 1 172 172 MET HE3 H 1 1.483 0.003 . 1 . . . . . 172 Met HE3 . 28046 2 1808 . 1 . 1 172 172 MET CA C 13 60.932 0.074 . 1 . . . . . 172 Met CA . 28046 2 1809 . 1 . 1 172 172 MET CB C 13 35.268 0.068 . 1 . . . . . 172 Met CB . 28046 2 1810 . 1 . 1 172 172 MET CG C 13 33.250 0.056 . 1 . . . . . 172 Met CG . 28046 2 1811 . 1 . 1 172 172 MET CE C 13 17.307 0.033 . 1 . . . . . 172 Met CE . 28046 2 1812 . 1 . 1 172 172 MET N N 15 117.110 0.032 . 1 . . . . . 172 Met N . 28046 2 1813 . 1 . 1 173 173 ARG H H 1 8.192 0.006 . 1 . . . . . 173 Arg H . 28046 2 1814 . 1 . 1 173 173 ARG HA H 1 3.623 0.009 . 1 . . . . . 173 Arg HA . 28046 2 1815 . 1 . 1 173 173 ARG HB2 H 1 1.924 0.013 . 2 . . . . . 173 Arg HB2 . 28046 2 1816 . 1 . 1 173 173 ARG HB3 H 1 1.917 0.000 . 2 . . . . . 173 Arg HB3 . 28046 2 1817 . 1 . 1 173 173 ARG HG2 H 1 1.389 0.012 . 2 . . . . . 173 Arg HG2 . 28046 2 1818 . 1 . 1 173 173 ARG HG3 H 1 1.784 0.005 . 2 . . . . . 173 Arg HG3 . 28046 2 1819 . 1 . 1 173 173 ARG HD2 H 1 3.008 0.013 . 2 . . . . . 173 Arg HD2 . 28046 2 1820 . 1 . 1 173 173 ARG HD3 H 1 3.259 0.008 . 2 . . . . . 173 Arg HD3 . 28046 2 1821 . 1 . 1 173 173 ARG CA C 13 60.930 0.026 . 1 . . . . . 173 Arg CA . 28046 2 1822 . 1 . 1 173 173 ARG CB C 13 29.059 0.048 . 1 . . . . . 173 Arg CB . 28046 2 1823 . 1 . 1 173 173 ARG CG C 13 26.137 0.044 . 1 . . . . . 173 Arg CG . 28046 2 1824 . 1 . 1 173 173 ARG CD C 13 43.631 0.044 . 1 . . . . . 173 Arg CD . 28046 2 1825 . 1 . 1 173 173 ARG N N 15 117.084 0.028 . 1 . . . . . 173 Arg N . 28046 2 1826 . 1 . 1 174 174 GLU H H 1 7.524 0.004 . 1 . . . . . 174 Glu H . 28046 2 1827 . 1 . 1 174 174 GLU HA H 1 4.106 0.004 . 1 . . . . . 174 Glu HA . 28046 2 1828 . 1 . 1 174 174 GLU HB2 H 1 2.094 0.004 . 2 . . . . . 174 Glu HB2 . 28046 2 1829 . 1 . 1 174 174 GLU HB3 H 1 2.204 0.010 . 2 . . . . . 174 Glu HB3 . 28046 2 1830 . 1 . 1 174 174 GLU HG2 H 1 2.290 0.006 . 2 . . . . . 174 Glu HG2 . 28046 2 1831 . 1 . 1 174 174 GLU HG3 H 1 2.339 0.012 . 2 . . . . . 174 Glu HG3 . 28046 2 1832 . 1 . 1 174 174 GLU CA C 13 59.208 0.065 . 1 . . . . . 174 Glu CA . 28046 2 1833 . 1 . 1 174 174 GLU CB C 13 29.558 0.055 . 1 . . . . . 174 Glu CB . 28046 2 1834 . 1 . 1 174 174 GLU CG C 13 35.476 0.052 . 1 . . . . . 174 Glu CG . 28046 2 1835 . 1 . 1 174 174 GLU N N 15 120.538 0.040 . 1 . . . . . 174 Glu N . 28046 2 1836 . 1 . 1 175 175 ILE H H 1 8.174 0.005 . 1 . . . . . 175 Ile H . 28046 2 1837 . 1 . 1 175 175 ILE HA H 1 3.390 0.008 . 1 . . . . . 175 Ile HA . 28046 2 1838 . 1 . 1 175 175 ILE HB H 1 1.370 0.011 . 1 . . . . . 175 Ile HB . 28046 2 1839 . 1 . 1 175 175 ILE HG12 H 1 0.639 0.008 . 2 . . . . . 175 Ile HG12 . 28046 2 1840 . 1 . 1 175 175 ILE HG13 H 1 1.594 0.008 . 2 . . . . . 175 Ile HG13 . 28046 2 1841 . 1 . 1 175 175 ILE HG21 H 1 0.849 0.007 . 1 . . . . . 175 Ile HG21 . 28046 2 1842 . 1 . 1 175 175 ILE HG22 H 1 0.849 0.007 . 1 . . . . . 175 Ile HG22 . 28046 2 1843 . 1 . 1 175 175 ILE HG23 H 1 0.849 0.007 . 1 . . . . . 175 Ile HG23 . 28046 2 1844 . 1 . 1 175 175 ILE HD11 H 1 0.459 0.007 . 1 . . . . . 175 Ile HD11 . 28046 2 1845 . 1 . 1 175 175 ILE HD12 H 1 0.459 0.007 . 1 . . . . . 175 Ile HD12 . 28046 2 1846 . 1 . 1 175 175 ILE HD13 H 1 0.459 0.007 . 1 . . . . . 175 Ile HD13 . 28046 2 1847 . 1 . 1 175 175 ILE CA C 13 65.872 0.076 . 1 . . . . . 175 Ile CA . 28046 2 1848 . 1 . 1 175 175 ILE CB C 13 38.001 0.049 . 1 . . . . . 175 Ile CB . 28046 2 1849 . 1 . 1 175 175 ILE CG1 C 13 27.551 0.041 . 1 . . . . . 175 Ile CG1 . 28046 2 1850 . 1 . 1 175 175 ILE CG2 C 13 19.091 0.039 . 1 . . . . . 175 Ile CG2 . 28046 2 1851 . 1 . 1 175 175 ILE CD1 C 13 14.964 0.044 . 1 . . . . . 175 Ile CD1 . 28046 2 1852 . 1 . 1 175 175 ILE N N 15 120.694 0.037 . 1 . . . . . 175 Ile N . 28046 2 1853 . 1 . 1 176 176 ARG H H 1 8.483 0.004 . 1 . . . . . 176 Arg H . 28046 2 1854 . 1 . 1 176 176 ARG HA H 1 3.612 0.009 . 1 . . . . . 176 Arg HA . 28046 2 1855 . 1 . 1 176 176 ARG HB2 H 1 1.477 0.020 . 2 . . . . . 176 Arg HB2 . 28046 2 1856 . 1 . 1 176 176 ARG HB3 H 1 1.960 0.011 . 2 . . . . . 176 Arg HB3 . 28046 2 1857 . 1 . 1 176 176 ARG CA C 13 59.508 0.072 . 1 . . . . . 176 Arg CA . 28046 2 1858 . 1 . 1 176 176 ARG CB C 13 30.316 0.049 . 1 . . . . . 176 Arg CB . 28046 2 1859 . 1 . 1 176 176 ARG N N 15 119.645 0.037 . 1 . . . . . 176 Arg N . 28046 2 1860 . 1 . 1 177 177 ALA H H 1 7.774 0.006 . 1 . . . . . 177 Ala H . 28046 2 1861 . 1 . 1 177 177 ALA HA H 1 4.034 0.006 . 1 . . . . . 177 Ala HA . 28046 2 1862 . 1 . 1 177 177 ALA HB1 H 1 1.467 0.003 . 1 . . . . . 177 Ala HB1 . 28046 2 1863 . 1 . 1 177 177 ALA HB2 H 1 1.467 0.003 . 1 . . . . . 177 Ala HB2 . 28046 2 1864 . 1 . 1 177 177 ALA HB3 H 1 1.467 0.003 . 1 . . . . . 177 Ala HB3 . 28046 2 1865 . 1 . 1 177 177 ALA CA C 13 54.978 0.052 . 1 . . . . . 177 Ala CA . 28046 2 1866 . 1 . 1 177 177 ALA CB C 13 17.785 0.034 . 1 . . . . . 177 Ala CB . 28046 2 1867 . 1 . 1 177 177 ALA N N 15 119.631 0.026 . 1 . . . . . 177 Ala N . 28046 2 1868 . 1 . 1 178 178 ARG H H 1 7.679 0.005 . 1 . . . . . 178 Arg H . 28046 2 1869 . 1 . 1 178 178 ARG HA H 1 4.106 0.008 . 1 . . . . . 178 Arg HA . 28046 2 1870 . 1 . 1 178 178 ARG HB2 H 1 2.005 0.009 . 2 . . . . . 178 Arg HB2 . 28046 2 1871 . 1 . 1 178 178 ARG HB3 H 1 2.029 0.015 . 2 . . . . . 178 Arg HB3 . 28046 2 1872 . 1 . 1 178 178 ARG HG2 H 1 1.638 0.006 . 2 . . . . . 178 Arg HG2 . 28046 2 1873 . 1 . 1 178 178 ARG HG3 H 1 1.941 0.003 . 2 . . . . . 178 Arg HG3 . 28046 2 1874 . 1 . 1 178 178 ARG HD2 H 1 3.215 0.006 . 1 . . . . . 178 Arg HD2 . 28046 2 1875 . 1 . 1 178 178 ARG HD3 H 1 3.215 0.006 . 1 . . . . . 178 Arg HD3 . 28046 2 1876 . 1 . 1 178 178 ARG CA C 13 57.060 0.062 . 1 . . . . . 178 Arg CA . 28046 2 1877 . 1 . 1 178 178 ARG CB C 13 28.807 0.061 . 1 . . . . . 178 Arg CB . 28046 2 1878 . 1 . 1 178 178 ARG CG C 13 26.215 0.046 . 1 . . . . . 178 Arg CG . 28046 2 1879 . 1 . 1 178 178 ARG CD C 13 41.628 0.040 . 1 . . . . . 178 Arg CD . 28046 2 1880 . 1 . 1 178 178 ARG N N 15 117.154 0.020 . 1 . . . . . 178 Arg N . 28046 2 1881 . 1 . 1 179 179 LYS H H 1 8.065 0.007 . 1 . . . . . 179 Lys H . 28046 2 1882 . 1 . 1 179 179 LYS HA H 1 4.034 0.007 . 1 . . . . . 179 Lys HA . 28046 2 1883 . 1 . 1 179 179 LYS HB2 H 1 1.846 0.003 . 1 . . . . . 179 Lys HB2 . 28046 2 1884 . 1 . 1 179 179 LYS HB3 H 1 1.846 0.003 . 1 . . . . . 179 Lys HB3 . 28046 2 1885 . 1 . 1 179 179 LYS HD2 H 1 1.309 0.006 . 2 . . . . . 179 Lys HD2 . 28046 2 1886 . 1 . 1 179 179 LYS HD3 H 1 1.617 0.016 . 2 . . . . . 179 Lys HD3 . 28046 2 1887 . 1 . 1 179 179 LYS CA C 13 58.900 0.069 . 1 . . . . . 179 Lys CA . 28046 2 1888 . 1 . 1 179 179 LYS CB C 13 33.334 0.058 . 1 . . . . . 179 Lys CB . 28046 2 1889 . 1 . 1 179 179 LYS CD C 13 26.893 0.049 . 1 . . . . . 179 Lys CD . 28046 2 1890 . 1 . 1 179 179 LYS N N 15 118.956 0.019 . 1 . . . . . 179 Lys N . 28046 2 1891 . 1 . 1 180 180 MET H H 1 7.900 0.005 . 1 . . . . . 180 Met H . 28046 2 1892 . 1 . 1 180 180 MET HA H 1 4.262 0.006 . 1 . . . . . 180 Met HA . 28046 2 1893 . 1 . 1 180 180 MET HB2 H 1 2.060 0.008 . 2 . . . . . 180 Met HB2 . 28046 2 1894 . 1 . 1 180 180 MET HB3 H 1 2.139 0.006 . 2 . . . . . 180 Met HB3 . 28046 2 1895 . 1 . 1 180 180 MET HG2 H 1 2.561 0.007 . 2 . . . . . 180 Met HG2 . 28046 2 1896 . 1 . 1 180 180 MET HG3 H 1 2.697 0.005 . 2 . . . . . 180 Met HG3 . 28046 2 1897 . 1 . 1 180 180 MET HE1 H 1 2.031 0.008 . 1 . . . . . 180 Met HE1 . 28046 2 1898 . 1 . 1 180 180 MET HE2 H 1 2.031 0.008 . 1 . . . . . 180 Met HE2 . 28046 2 1899 . 1 . 1 180 180 MET HE3 H 1 2.031 0.008 . 1 . . . . . 180 Met HE3 . 28046 2 1900 . 1 . 1 180 180 MET CA C 13 56.760 0.117 . 1 . . . . . 180 Met CA . 28046 2 1901 . 1 . 1 180 180 MET CB C 13 32.312 0.076 . 1 . . . . . 180 Met CB . 28046 2 1902 . 1 . 1 180 180 MET CG C 13 32.015 0.035 . 1 . . . . . 180 Met CG . 28046 2 1903 . 1 . 1 180 180 MET CE C 13 16.449 0.026 . 1 . . . . . 180 Met CE . 28046 2 1904 . 1 . 1 180 180 MET N N 15 117.302 0.033 . 1 . . . . . 180 Met N . 28046 2 1905 . 1 . 1 181 181 GLU H H 1 7.709 0.007 . 1 . . . . . 181 Glu H . 28046 2 1906 . 1 . 1 181 181 GLU HA H 1 4.105 0.004 . 1 . . . . . 181 Glu HA . 28046 2 1907 . 1 . 1 181 181 GLU HB2 H 1 2.039 0.003 . 1 . . . . . 181 Glu HB2 . 28046 2 1908 . 1 . 1 181 181 GLU HB3 H 1 2.039 0.003 . 1 . . . . . 181 Glu HB3 . 28046 2 1909 . 1 . 1 181 181 GLU HG2 H 1 2.263 0.013 . 2 . . . . . 181 Glu HG2 . 28046 2 1910 . 1 . 1 181 181 GLU HG3 H 1 2.350 0.013 . 2 . . . . . 181 Glu HG3 . 28046 2 1911 . 1 . 1 181 181 GLU CA C 13 57.393 0.029 . 1 . . . . . 181 Glu CA . 28046 2 1912 . 1 . 1 181 181 GLU CB C 13 29.665 0.038 . 1 . . . . . 181 Glu CB . 28046 2 1913 . 1 . 1 181 181 GLU CG C 13 35.966 0.098 . 1 . . . . . 181 Glu CG . 28046 2 1914 . 1 . 1 181 181 GLU N N 15 119.857 0.041 . 1 . . . . . 181 Glu N . 28046 2 1915 . 1 . 1 182 182 ASP H H 1 8.028 0.007 . 1 . . . . . 182 Asp H . 28046 2 1916 . 1 . 1 182 182 ASP HA H 1 4.585 0.003 . 1 . . . . . 182 Asp HA . 28046 2 1917 . 1 . 1 182 182 ASP HB2 H 1 2.600 0.004 . 2 . . . . . 182 Asp HB2 . 28046 2 1918 . 1 . 1 182 182 ASP HB3 H 1 2.697 0.006 . 2 . . . . . 182 Asp HB3 . 28046 2 1919 . 1 . 1 182 182 ASP CA C 13 54.558 0.043 . 1 . . . . . 182 Asp CA . 28046 2 1920 . 1 . 1 182 182 ASP CB C 13 40.942 0.032 . 1 . . . . . 182 Asp CB . 28046 2 1921 . 1 . 1 182 182 ASP N N 15 119.328 0.035 . 1 . . . . . 182 Asp N . 28046 2 1922 . 1 . 1 183 183 SER H H 1 7.887 0.003 . 1 . . . . . 183 Ser H . 28046 2 1923 . 1 . 1 183 183 SER HA H 1 4.402 0.003 . 1 . . . . . 183 Ser HA . 28046 2 1924 . 1 . 1 183 183 SER HB2 H 1 3.856 0.007 . 1 . . . . . 183 Ser HB2 . 28046 2 1925 . 1 . 1 183 183 SER HB3 H 1 3.856 0.007 . 1 . . . . . 183 Ser HB3 . 28046 2 1926 . 1 . 1 183 183 SER CA C 13 58.256 0.012 . 1 . . . . . 183 Ser CA . 28046 2 1927 . 1 . 1 183 183 SER CB C 13 63.677 0.019 . 1 . . . . . 183 Ser CB . 28046 2 1928 . 1 . 1 183 183 SER N N 15 115.301 0.020 . 1 . . . . . 183 Ser N . 28046 2 1929 . 1 . 1 184 184 LYS H H 1 7.731 0.005 . 1 . . . . . 184 Lys H . 28046 2 1930 . 1 . 1 184 184 LYS HA H 1 4.078 0.004 . 1 . . . . . 184 Lys HA . 28046 2 1931 . 1 . 1 184 184 LYS HB2 H 1 1.680 0.004 . 2 . . . . . 184 Lys HB2 . 28046 2 1932 . 1 . 1 184 184 LYS HB3 H 1 1.772 0.003 . 2 . . . . . 184 Lys HB3 . 28046 2 1933 . 1 . 1 184 184 LYS HG2 H 1 1.349 0.005 . 1 . . . . . 184 Lys HG2 . 28046 2 1934 . 1 . 1 184 184 LYS HG3 H 1 1.349 0.005 . 1 . . . . . 184 Lys HG3 . 28046 2 1935 . 1 . 1 184 184 LYS HD2 H 1 1.593 0.005 . 1 . . . . . 184 Lys HD2 . 28046 2 1936 . 1 . 1 184 184 LYS HD3 H 1 1.593 0.005 . 1 . . . . . 184 Lys HD3 . 28046 2 1937 . 1 . 1 184 184 LYS HE2 H 1 2.916 0.003 . 2 . . . . . 184 Lys HE2 . 28046 2 1938 . 1 . 1 184 184 LYS HE3 H 1 2.916 0.003 . 2 . . . . . 184 Lys HE3 . 28046 2 1939 . 1 . 1 184 184 LYS CA C 13 57.664 0.024 . 1 . . . . . 184 Lys CA . 28046 2 1940 . 1 . 1 184 184 LYS CB C 13 33.315 0.029 . 1 . . . . . 184 Lys CB . 28046 2 1941 . 1 . 1 184 184 LYS CG C 13 24.522 0.011 . 1 . . . . . 184 Lys CG . 28046 2 1942 . 1 . 1 184 184 LYS CD C 13 28.965 0.000 . 1 . . . . . 184 Lys CD . 28046 2 1943 . 1 . 1 184 184 LYS CE C 13 42.015 0.054 . 1 . . . . . 184 Lys CE . 28046 2 1944 . 1 . 1 184 184 LYS N N 15 127.853 0.017 . 1 . . . . . 184 Lys N . 28046 2 stop_ save_