data_34115 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34115 _Entry.Title ; Solution structure of detergent-solubilized Rcf1, a yeast mitochondrial inner membrane protein involved in respiratory Complex III/IV supercomplex formation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-13 _Entry.Accession_date 2017-03-13 _Entry.Last_release_date 2018-02-20 _Entry.Original_release_date 2018-02-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34115 stop_ 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 S. Zhou S. . . . 34115 2 P. Pettersson P. . . . 34115 3 J. Sjoholm J. . . . 34115 4 D. Sjostrand D. . . . 34115 5 M. Hogbom M. . . . 34115 6 P. Brzezinski P. . . . 34115 7 L. Maler L. . . . 34115 8 P. Adelroth P. . . . 34115 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Charged dimer interface' . 34115 Homodimer . 34115 'membrane protein' . 34115 'solution structure' . 34115 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34115 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 623 34115 '15N chemical shifts' 149 34115 '1H chemical shifts' 1007 34115 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 . . 2018-04-17 2017-03-13 update BMRB 'update entry citation' 34115 1 . . 2018-02-23 2017-03-13 original author 'original release' 34115 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5NF8 . 34115 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34115 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1073/pnas.1712061115 _Citation.PubMed_ID 29507228 _Citation.Full_citation . _Citation.Title ; Solution NMR structure of yeast Rcf1, a protein involved in respiratory supercomplex formation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 115 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD 0353 _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 3048 _Citation.Page_last 3053 _Citation.Year 2018 _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 Shu Zhou S. . . . 34115 1 2 Pontus Pettersson P. . . . 34115 1 3 Jingjing Huang J. . . . 34115 1 4 Johannes Sjoholm J. . . . 34115 1 5 Dan Sjostrand D. . . . 34115 1 6 Regis Pomes R. . . . 34115 1 7 Martin Hogbom M. . . . 34115 1 8 Peter Brzezinski P. . . . 34115 1 9 Lena Maler L. . . . 34115 1 10 Pia Adelroth P. . . . 34115 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34115 _Assembly.ID 1 _Assembly.Name 'Respiratory supercomplex factor 1, mitochondrial' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 'entity_1, 1' 1 $entity_1 A A yes . . . . . . 34115 1 2 'entity_1, 2' 1 $entity_1 B B yes . . . . . . 34115 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34115 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSRMPSSFDVTERDLDDMTF GERIIYHCKKQPLVPIGCLL TTGAVILAAQNVRLGNKWKA QYYFRWRVGLQAATLVALVA GSFIYGTSGKELKAKEEQLK EKAKMREKLWIQELERREEE TEARRKRAELARMKTLENEE EIKNLEKELSDLENKLGKKE FRVPGSHHHHHHHH ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 174 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20388.496 _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 'Altered inheritance of mitochondria protein 31' na 34115 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34115 1 2 . SER . 34115 1 3 . ARG . 34115 1 4 . MET . 34115 1 5 . PRO . 34115 1 6 . SER . 34115 1 7 . SER . 34115 1 8 . PHE . 34115 1 9 . ASP . 34115 1 10 . VAL . 34115 1 11 . THR . 34115 1 12 . GLU . 34115 1 13 . ARG . 34115 1 14 . ASP . 34115 1 15 . LEU . 34115 1 16 . ASP . 34115 1 17 . ASP . 34115 1 18 . MET . 34115 1 19 . THR . 34115 1 20 . PHE . 34115 1 21 . GLY . 34115 1 22 . GLU . 34115 1 23 . ARG . 34115 1 24 . ILE . 34115 1 25 . ILE . 34115 1 26 . TYR . 34115 1 27 . HIS . 34115 1 28 . CYS . 34115 1 29 . LYS . 34115 1 30 . LYS . 34115 1 31 . GLN . 34115 1 32 . PRO . 34115 1 33 . LEU . 34115 1 34 . VAL . 34115 1 35 . PRO . 34115 1 36 . ILE . 34115 1 37 . GLY . 34115 1 38 . CYS . 34115 1 39 . LEU . 34115 1 40 . LEU . 34115 1 41 . THR . 34115 1 42 . THR . 34115 1 43 . GLY . 34115 1 44 . ALA . 34115 1 45 . VAL . 34115 1 46 . ILE . 34115 1 47 . LEU . 34115 1 48 . ALA . 34115 1 49 . ALA . 34115 1 50 . GLN . 34115 1 51 . ASN . 34115 1 52 . VAL . 34115 1 53 . ARG . 34115 1 54 . LEU . 34115 1 55 . GLY . 34115 1 56 . ASN . 34115 1 57 . LYS . 34115 1 58 . TRP . 34115 1 59 . LYS . 34115 1 60 . ALA . 34115 1 61 . GLN . 34115 1 62 . TYR . 34115 1 63 . TYR . 34115 1 64 . PHE . 34115 1 65 . ARG . 34115 1 66 . TRP . 34115 1 67 . ARG . 34115 1 68 . VAL . 34115 1 69 . GLY . 34115 1 70 . LEU . 34115 1 71 . GLN . 34115 1 72 . ALA . 34115 1 73 . ALA . 34115 1 74 . THR . 34115 1 75 . LEU . 34115 1 76 . VAL . 34115 1 77 . ALA . 34115 1 78 . LEU . 34115 1 79 . VAL . 34115 1 80 . ALA . 34115 1 81 . GLY . 34115 1 82 . SER . 34115 1 83 . PHE . 34115 1 84 . ILE . 34115 1 85 . TYR . 34115 1 86 . GLY . 34115 1 87 . THR . 34115 1 88 . SER . 34115 1 89 . GLY . 34115 1 90 . LYS . 34115 1 91 . GLU . 34115 1 92 . LEU . 34115 1 93 . LYS . 34115 1 94 . ALA . 34115 1 95 . LYS . 34115 1 96 . GLU . 34115 1 97 . GLU . 34115 1 98 . GLN . 34115 1 99 . LEU . 34115 1 100 . LYS . 34115 1 101 . GLU . 34115 1 102 . LYS . 34115 1 103 . ALA . 34115 1 104 . LYS . 34115 1 105 . MET . 34115 1 106 . ARG . 34115 1 107 . GLU . 34115 1 108 . LYS . 34115 1 109 . LEU . 34115 1 110 . TRP . 34115 1 111 . ILE . 34115 1 112 . GLN . 34115 1 113 . GLU . 34115 1 114 . LEU . 34115 1 115 . GLU . 34115 1 116 . ARG . 34115 1 117 . ARG . 34115 1 118 . GLU . 34115 1 119 . GLU . 34115 1 120 . GLU . 34115 1 121 . THR . 34115 1 122 . GLU . 34115 1 123 . ALA . 34115 1 124 . ARG . 34115 1 125 . ARG . 34115 1 126 . LYS . 34115 1 127 . ARG . 34115 1 128 . ALA . 34115 1 129 . GLU . 34115 1 130 . LEU . 34115 1 131 . ALA . 34115 1 132 . ARG . 34115 1 133 . MET . 34115 1 134 . LYS . 34115 1 135 . THR . 34115 1 136 . LEU . 34115 1 137 . GLU . 34115 1 138 . ASN . 34115 1 139 . GLU . 34115 1 140 . GLU . 34115 1 141 . GLU . 34115 1 142 . ILE . 34115 1 143 . LYS . 34115 1 144 . ASN . 34115 1 145 . LEU . 34115 1 146 . GLU . 34115 1 147 . LYS . 34115 1 148 . GLU . 34115 1 149 . LEU . 34115 1 150 . SER . 34115 1 151 . ASP . 34115 1 152 . LEU . 34115 1 153 . GLU . 34115 1 154 . ASN . 34115 1 155 . LYS . 34115 1 156 . LEU . 34115 1 157 . GLY . 34115 1 158 . LYS . 34115 1 159 . LYS . 34115 1 160 . GLU . 34115 1 161 . PHE . 34115 1 162 . ARG . 34115 1 163 . VAL . 34115 1 164 . PRO . 34115 1 165 . GLY . 34115 1 166 . SER . 34115 1 167 . HIS . 34115 1 168 . HIS . 34115 1 169 . HIS . 34115 1 170 . HIS . 34115 1 171 . HIS . 34115 1 172 . HIS . 34115 1 173 . HIS . 34115 1 174 . HIS . 34115 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 34115 1 . SER 2 2 34115 1 . ARG 3 3 34115 1 . MET 4 4 34115 1 . PRO 5 5 34115 1 . SER 6 6 34115 1 . SER 7 7 34115 1 . PHE 8 8 34115 1 . ASP 9 9 34115 1 . VAL 10 10 34115 1 . THR 11 11 34115 1 . GLU 12 12 34115 1 . ARG 13 13 34115 1 . ASP 14 14 34115 1 . LEU 15 15 34115 1 . ASP 16 16 34115 1 . ASP 17 17 34115 1 . MET 18 18 34115 1 . THR 19 19 34115 1 . PHE 20 20 34115 1 . GLY 21 21 34115 1 . GLU 22 22 34115 1 . ARG 23 23 34115 1 . ILE 24 24 34115 1 . ILE 25 25 34115 1 . TYR 26 26 34115 1 . HIS 27 27 34115 1 . CYS 28 28 34115 1 . LYS 29 29 34115 1 . LYS 30 30 34115 1 . GLN 31 31 34115 1 . PRO 32 32 34115 1 . LEU 33 33 34115 1 . VAL 34 34 34115 1 . PRO 35 35 34115 1 . ILE 36 36 34115 1 . GLY 37 37 34115 1 . CYS 38 38 34115 1 . LEU 39 39 34115 1 . LEU 40 40 34115 1 . THR 41 41 34115 1 . THR 42 42 34115 1 . GLY 43 43 34115 1 . ALA 44 44 34115 1 . VAL 45 45 34115 1 . ILE 46 46 34115 1 . LEU 47 47 34115 1 . ALA 48 48 34115 1 . ALA 49 49 34115 1 . GLN 50 50 34115 1 . ASN 51 51 34115 1 . VAL 52 52 34115 1 . ARG 53 53 34115 1 . LEU 54 54 34115 1 . GLY 55 55 34115 1 . ASN 56 56 34115 1 . LYS 57 57 34115 1 . TRP 58 58 34115 1 . LYS 59 59 34115 1 . ALA 60 60 34115 1 . GLN 61 61 34115 1 . TYR 62 62 34115 1 . TYR 63 63 34115 1 . PHE 64 64 34115 1 . ARG 65 65 34115 1 . TRP 66 66 34115 1 . ARG 67 67 34115 1 . VAL 68 68 34115 1 . GLY 69 69 34115 1 . LEU 70 70 34115 1 . GLN 71 71 34115 1 . ALA 72 72 34115 1 . ALA 73 73 34115 1 . THR 74 74 34115 1 . LEU 75 75 34115 1 . VAL 76 76 34115 1 . ALA 77 77 34115 1 . LEU 78 78 34115 1 . VAL 79 79 34115 1 . ALA 80 80 34115 1 . GLY 81 81 34115 1 . SER 82 82 34115 1 . PHE 83 83 34115 1 . ILE 84 84 34115 1 . TYR 85 85 34115 1 . GLY 86 86 34115 1 . THR 87 87 34115 1 . SER 88 88 34115 1 . GLY 89 89 34115 1 . LYS 90 90 34115 1 . GLU 91 91 34115 1 . LEU 92 92 34115 1 . LYS 93 93 34115 1 . ALA 94 94 34115 1 . LYS 95 95 34115 1 . GLU 96 96 34115 1 . GLU 97 97 34115 1 . GLN 98 98 34115 1 . LEU 99 99 34115 1 . LYS 100 100 34115 1 . GLU 101 101 34115 1 . LYS 102 102 34115 1 . ALA 103 103 34115 1 . LYS 104 104 34115 1 . MET 105 105 34115 1 . ARG 106 106 34115 1 . GLU 107 107 34115 1 . LYS 108 108 34115 1 . LEU 109 109 34115 1 . TRP 110 110 34115 1 . ILE 111 111 34115 1 . GLN 112 112 34115 1 . GLU 113 113 34115 1 . LEU 114 114 34115 1 . GLU 115 115 34115 1 . ARG 116 116 34115 1 . ARG 117 117 34115 1 . GLU 118 118 34115 1 . GLU 119 119 34115 1 . GLU 120 120 34115 1 . THR 121 121 34115 1 . GLU 122 122 34115 1 . ALA 123 123 34115 1 . ARG 124 124 34115 1 . ARG 125 125 34115 1 . LYS 126 126 34115 1 . ARG 127 127 34115 1 . ALA 128 128 34115 1 . GLU 129 129 34115 1 . LEU 130 130 34115 1 . ALA 131 131 34115 1 . ARG 132 132 34115 1 . MET 133 133 34115 1 . LYS 134 134 34115 1 . THR 135 135 34115 1 . LEU 136 136 34115 1 . GLU 137 137 34115 1 . ASN 138 138 34115 1 . GLU 139 139 34115 1 . GLU 140 140 34115 1 . GLU 141 141 34115 1 . ILE 142 142 34115 1 . LYS 143 143 34115 1 . ASN 144 144 34115 1 . LEU 145 145 34115 1 . GLU 146 146 34115 1 . LYS 147 147 34115 1 . GLU 148 148 34115 1 . LEU 149 149 34115 1 . SER 150 150 34115 1 . ASP 151 151 34115 1 . LEU 152 152 34115 1 . GLU 153 153 34115 1 . ASN 154 154 34115 1 . LYS 155 155 34115 1 . LEU 156 156 34115 1 . GLY 157 157 34115 1 . LYS 158 158 34115 1 . LYS 159 159 34115 1 . GLU 160 160 34115 1 . PHE 161 161 34115 1 . ARG 162 162 34115 1 . VAL 163 163 34115 1 . PRO 164 164 34115 1 . GLY 165 165 34115 1 . SER 166 166 34115 1 . HIS 167 167 34115 1 . HIS 168 168 34115 1 . HIS 169 169 34115 1 . HIS 170 170 34115 1 . HIS 171 171 34115 1 . HIS 172 172 34115 1 . HIS 173 173 34115 1 . HIS 174 174 34115 1 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 34115 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 4932 organism . 'Saccharomyces cerevisiae' "Baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . 'RCF1, AIM31, SCRG_01865' . 34115 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 34115 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli K-12' . . 83333 . . . . . . . . . . . . 34115 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34115 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '0.4 mM [U-13C; U-15N; U-2H] rcf1, 90% H2O/10% D2O' _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 rcf1 '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.4 . . mM . . . . 34115 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34115 _Sample.ID 3 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '0.4 mM [U-13C; U-15N] rcf1, 90% H2O/10% D2O' _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 rcf1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 34115 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34115 _Sample.ID 4 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '0.4 mM [U-13C; U-15N; 50% U-2H] rcf1, 90% H2O/10% D2O' _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 rcf1 '[U-13C; U-15N; 50% U-2H]' . . 1 $entity_1 . . 0.4 . . mM . . . . 34115 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 34115 _Sample.ID 5 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '0.4 mM [U-15N; U-2H; 99%-1HD, 13CD-IL; 99%-1HG, 13CG-V] rcf1, 90% H2O/10% D2O' _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 rcf1 '[U-15N; U-2H; 99%-1HD, 13CD-IL; 99%-1HG, 13CG-V]' . . 1 $entity_1 . . 0.4 . . mM . . . . 34115 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 34115 _Sample.ID 6 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '0.4 mM [U-50% 13C; U-50% 15N; U-50% 12C; U-50% 14N] rcf1, 90% H2O/10% D2O' _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 rcf1 '[U-50% 13C; U-50% 15N; U-50% 12C; U-50% 14N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 34115 6 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34115 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '0.4 mM [U-15N] rcf1, 90% H2O/10% D2O' _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 rcf1 [U-15N] . . 1 $entity_1 . . 0.4 . . mM . . . . 34115 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34115 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM 34115 1 pH 5.0 . pH 34115 1 pressure 1 . Pa 34115 1 temperature 323 . K 34115 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34115 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM 34115 2 pH 5.0 . pH 34115 2 pressure 1 . Pa 34115 2 temperature 323 . K 34115 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 34115 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM 34115 3 pH 5.0 . pH 34115 3 pressure 1 . Pa 34115 3 temperature 323 . K 34115 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 34115 _Sample_condition_list.ID 4 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM 34115 4 pH 5.0 . pH 34115 4 pressure 1 . Pa 34115 4 temperature 323 . K 34115 4 stop_ save_ save_sample_conditions_5 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_5 _Sample_condition_list.Entry_ID 34115 _Sample_condition_list.ID 5 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM 34115 5 pH 5.0 . pH 34115 5 pressure 1 . Pa 34115 5 temperature 323 . K 34115 5 stop_ save_ save_sample_conditions_6 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_6 _Sample_condition_list.Entry_ID 34115 _Sample_condition_list.ID 6 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM 34115 6 pH 5.0 . pH 34115 6 pressure 1 . Pa 34115 6 temperature 323 . K 34115 6 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34115 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34115 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34115 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34115 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34115 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34115 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34115 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34115 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34115 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34115 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34115 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34115 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 900 . . . 34115 1 2 NMR_spectrometer_2 Bruker AvanceIII . 700 . . . 34115 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 34115 _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 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34115 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34115 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 6 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 7 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 9 '3D N-NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 11 '3D CC(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 12 '3D H(CCO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 13 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 14 '3D N-NOESY-HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 15 '3D C-NOESY-HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 16 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 17 '3D N-NOESY-HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 18 '3D C-NOESY-HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 4 $sample_conditions_4 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 19 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 5 $sample_conditions_5 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 20 '3D C-NOESY-HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 5 $sample_conditions_5 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 21 '3D F1-13C/15N-filtered, F3-15N-edited-NOESY-HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 6 $sample_conditions_6 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 22 '3D F1-13C/15N-filtered, F3-13C-edited-NOESY-HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 6 $sample_conditions_6 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34115 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34115 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 40 internal indirect 0.251449530 . . . . . 34115 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 34115 1 N 15 water protons . . . . ppm 115.4 internal indirect 0.101329118 . . . . . 34115 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34115 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 34115 1 2 '2D 1H-15N HSQC' . . . 34115 1 3 '3D HNCACB' . . . 34115 1 4 '3D HN(COCA)CB' . . . 34115 1 5 '3D HNCO' . . . 34115 1 6 '3D HN(CA)CO' . . . 34115 1 7 '3D HNCA' . . . 34115 1 8 '3D HN(CO)CA' . . . 34115 1 9 '3D N-NOESY-HSQC' . . . 34115 1 10 '3D HCCH-TOCSY' . . . 34115 1 11 '3D CC(CO)NH' . . . 34115 1 12 '3D H(CCO)NH' . . . 34115 1 13 '2D 1H-13C HSQC' . . . 34115 1 14 '3D N-NOESY-HSQC' . . . 34115 1 15 '3D C-NOESY-HSQC' . . . 34115 1 16 '2D 1H-13C HSQC' . . . 34115 1 17 '3D N-NOESY-HSQC' . . . 34115 1 18 '3D C-NOESY-HSQC' . . . 34115 1 19 '2D 1H-13C HSQC' . . . 34115 1 20 '3D C-NOESY-HSQC' . . . 34115 1 21 '3D F1-13C/15N-filtered, F3-15N-edited-NOESY-HSQC' . . . 34115 1 22 '3D F1-13C/15N-filtered, F3-13C-edited-NOESY-HSQC' . . . 34115 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 6 6 SER H H 1 8.480 0.02 . 1 . . 47 . A 6 SER H . 34115 1 2 . 1 1 6 6 SER HA H 1 4.612 0.02 . 1 . . 545 . A 6 SER HA . 34115 1 3 . 1 1 6 6 SER HB2 H 1 3.985 0.02 . 2 . . 546 . A 6 SER HB2 . 34115 1 4 . 1 1 6 6 SER HB3 H 1 4.070 0.02 . 2 . . 1691 . A 6 SER HB3 . 34115 1 5 . 1 1 6 6 SER C C 13 174.464 0.3 . 1 . . 108 . A 6 SER C . 34115 1 6 . 1 1 6 6 SER CA C 13 58.105 0.3 . 1 . . 106 . A 6 SER CA . 34115 1 7 . 1 1 6 6 SER CB C 13 63.506 0.3 . 1 . . 107 . A 6 SER CB . 34115 1 8 . 1 1 6 6 SER N N 15 115.442 0.3 . 1 . . 1690 . A 6 SER N . 34115 1 9 . 1 1 7 7 SER H H 1 8.629 0.02 . 1 . . 2450 . A 7 SER H . 34115 1 10 . 1 1 7 7 SER HA H 1 4.532 0.02 . 1 . . 1692 . A 7 SER HA . 34115 1 11 . 1 1 7 7 SER HB2 H 1 3.821 0.02 . 1 . . 1693 . A 7 SER HB2 . 34115 1 12 . 1 1 7 7 SER C C 13 173.141 0.3 . 1 . . 290 . A 7 SER C . 34115 1 13 . 1 1 7 7 SER CA C 13 58.092 0.011 . 1 . . 288 . A 7 SER CA . 34115 1 14 . 1 1 7 7 SER CB C 13 63.638 0.014 . 1 . . 289 . A 7 SER CB . 34115 1 15 . 1 1 7 7 SER N N 15 116.328 0.3 . 1 . . 2451 . A 7 SER N . 34115 1 16 . 1 1 8 8 PHE H H 1 8.230 0.02 . 1 . . 1694 . A 8 PHE H . 34115 1 17 . 1 1 8 8 PHE C C 13 175.201 0.3 . 1 . . 352 . A 8 PHE C . 34115 1 18 . 1 1 8 8 PHE CA C 13 57.506 0.3 . 1 . . 350 . A 8 PHE CA . 34115 1 19 . 1 1 8 8 PHE CB C 13 38.892 0.3 . 1 . . 351 . A 8 PHE CB . 34115 1 20 . 1 1 8 8 PHE N N 15 120.575 0.3 . 1 . . 1695 . A 8 PHE N . 34115 1 21 . 1 1 9 9 ASP C C 13 174.973 0.3 . 1 . . 1703 . A 9 ASP C . 34115 1 22 . 1 1 9 9 ASP CA C 13 52.686 0.3 . 1 . . 1701 . A 9 ASP CA . 34115 1 23 . 1 1 9 9 ASP CB C 13 38.305 0.3 . 1 . . 1702 . A 9 ASP CB . 34115 1 24 . 1 1 10 10 VAL H H 1 7.814 0.02 . 1 . . 1696 . A 10 VAL H . 34115 1 25 . 1 1 10 10 VAL C C 13 176.456 0.3 . 1 . . 1700 . A 10 VAL C . 34115 1 26 . 1 1 10 10 VAL CA C 13 62.510 0.3 . 1 . . 1699 . A 10 VAL CA . 34115 1 27 . 1 1 10 10 VAL CB C 13 32.826 0.3 . 1 . . 1698 . A 10 VAL CB . 34115 1 28 . 1 1 10 10 VAL N N 15 119.096 0.3 . 1 . . 1697 . A 10 VAL N . 34115 1 29 . 1 1 11 11 THR H H 1 8.202 0.02 . 1 . . 598 . A 11 THR H . 34115 1 30 . 1 1 11 11 THR HA H 1 4.628 0.02 . 1 . . 615 . A 11 THR HA . 34115 1 31 . 1 1 11 11 THR HB H 1 4.189 0.02 . 1 . . 616 . A 11 THR HB . 34115 1 32 . 1 1 11 11 THR C C 13 176.101 0.3 . 1 . . 636 . A 11 THR C . 34115 1 33 . 1 1 11 11 THR CA C 13 61.226 0.3 . 1 . . 611 . A 11 THR CA . 34115 1 34 . 1 1 11 11 THR CB C 13 68.995 0.3 . 1 . . 612 . A 11 THR CB . 34115 1 35 . 1 1 11 11 THR N N 15 114.625 0.3 . 1 . . 599 . A 11 THR N . 34115 1 36 . 1 1 12 12 GLU H H 1 8.408 0.02 . 1 . . 2534 . A 12 GLU H . 34115 1 37 . 1 1 12 12 GLU HA H 1 4.411 0.02 . 1 . . 1704 . A 12 GLU HA . 34115 1 38 . 1 1 12 12 GLU HB2 H 1 2.142 0.02 . 1 . . 1705 . A 12 GLU HB2 . 34115 1 39 . 1 1 12 12 GLU C C 13 176.615 0.3 . 1 . . 267 . A 12 GLU C . 34115 1 40 . 1 1 12 12 GLU CA C 13 56.820 0.009 . 1 . . 266 . A 12 GLU CA . 34115 1 41 . 1 1 12 12 GLU CB C 13 29.252 0.005 . 1 . . 265 . A 12 GLU CB . 34115 1 42 . 1 1 12 12 GLU N N 15 122.515 0.05 . 1 . . 264 . A 12 GLU N . 34115 1 43 . 1 1 13 13 ARG H H 1 8.200 0.02 . 1 . . 2512 . A 13 ARG H . 34115 1 44 . 1 1 13 13 ARG HA H 1 4.266 0.02 . 1 . . 617 . A 13 ARG HA . 34115 1 45 . 1 1 13 13 ARG HB2 H 1 1.901 0.02 . 2 . . 619 . A 13 ARG HB2 . 34115 1 46 . 1 1 13 13 ARG HB3 H 1 1.965 0.02 . 2 . . 1708 . A 13 ARG HB3 . 34115 1 47 . 1 1 13 13 ARG HG2 H 1 1.660 0.02 . 2 . . 620 . A 13 ARG HG2 . 34115 1 48 . 1 1 13 13 ARG HG3 H 1 1.793 0.02 . 2 . . 1707 . A 13 ARG HG3 . 34115 1 49 . 1 1 13 13 ARG HD2 H 1 3.028 0.02 . 2 . . 618 . A 13 ARG HD2 . 34115 1 50 . 1 1 13 13 ARG HD3 H 1 3.132 0.02 . 2 . . 1706 . A 13 ARG HD3 . 34115 1 51 . 1 1 13 13 ARG C C 13 176.295 0.3 . 1 . . 282 . A 13 ARG C . 34115 1 52 . 1 1 13 13 ARG CA C 13 57.476 0.3 . 1 . . 281 . A 13 ARG CA . 34115 1 53 . 1 1 13 13 ARG CB C 13 30.144 0.3 . 1 . . 280 . A 13 ARG CB . 34115 1 54 . 1 1 13 13 ARG N N 15 121.009 0.04 . 1 . . 65 . A 13 ARG N . 34115 1 55 . 1 1 14 14 ASP H H 1 7.993 0.02 . 1 . . 2499 . A 14 ASP H . 34115 1 56 . 1 1 14 14 ASP CA C 13 53.996 0.3 . 1 . . 1709 . A 14 ASP CA . 34115 1 57 . 1 1 14 14 ASP CB C 13 39.296 0.3 . 1 . . 1710 . A 14 ASP CB . 34115 1 58 . 1 1 14 14 ASP N N 15 121.796 0.3 . 1 . . 2500 . A 14 ASP N . 34115 1 59 . 1 1 15 15 LEU H H 1 8.118 0.006 . 1 . . 474 . A 15 LEU H . 34115 1 60 . 1 1 15 15 LEU HA H 1 4.283 0.005 . 1 . . 475 . A 15 LEU HA . 34115 1 61 . 1 1 15 15 LEU HB2 H 1 1.766 0.005 . 2 . . 548 . A 15 LEU HB2 . 34115 1 62 . 1 1 15 15 LEU HB3 H 1 1.680 0.02 . 2 . . 1711 . A 15 LEU HB3 . 34115 1 63 . 1 1 15 15 LEU HG H 1 1.648 0.053 . 1 . . 547 . A 15 LEU HG . 34115 1 64 . 1 1 15 15 LEU HD11 H 1 0.749 0.02 . 2 . . 757 . A 15 LEU HD11 . 34115 1 65 . 1 1 15 15 LEU HD12 H 1 0.749 0.02 . 2 . . 757 . A 15 LEU HD12 . 34115 1 66 . 1 1 15 15 LEU HD13 H 1 0.749 0.02 . 2 . . 757 . A 15 LEU HD13 . 34115 1 67 . 1 1 15 15 LEU HD21 H 1 0.608 0.02 . 2 . . 759 . A 15 LEU HD21 . 34115 1 68 . 1 1 15 15 LEU HD22 H 1 0.608 0.02 . 2 . . 759 . A 15 LEU HD22 . 34115 1 69 . 1 1 15 15 LEU HD23 H 1 0.608 0.02 . 2 . . 759 . A 15 LEU HD23 . 34115 1 70 . 1 1 15 15 LEU C C 13 178.324 0.3 . 1 . . 186 . A 15 LEU C . 34115 1 71 . 1 1 15 15 LEU CA C 13 57.527 0.3 . 1 . . 1717 . A 15 LEU CA . 34115 1 72 . 1 1 15 15 LEU CB C 13 41.224 0.003 . 1 . . 185 . A 15 LEU CB . 34115 1 73 . 1 1 15 15 LEU CD1 C 13 22.669 0.3 . 2 . . 758 . A 15 LEU CD1 . 34115 1 74 . 1 1 15 15 LEU CD2 C 13 21.021 0.3 . 2 . . 760 . A 15 LEU CD2 . 34115 1 75 . 1 1 15 15 LEU N N 15 121.852 0.042 . 1 . . 19 . A 15 LEU N . 34115 1 76 . 1 1 16 16 ASP H H 1 8.210 0.008 . 1 . . 28 . A 16 ASP H . 34115 1 77 . 1 1 16 16 ASP HA H 1 4.617 0.02 . 1 . . 476 . A 16 ASP HA . 34115 1 78 . 1 1 16 16 ASP HB2 H 1 2.805 0.005 . 2 . . 477 . A 16 ASP HB2 . 34115 1 79 . 1 1 16 16 ASP HB3 H 1 2.855 0.02 . 2 . . 1718 . A 16 ASP HB3 . 34115 1 80 . 1 1 16 16 ASP C C 13 176.434 0.3 . 1 . . 157 . A 16 ASP C . 34115 1 81 . 1 1 16 16 ASP CA C 13 55.424 0.3 . 1 . . 158 . A 16 ASP CA . 34115 1 82 . 1 1 16 16 ASP CB C 13 40.222 0.3 . 1 . . 159 . A 16 ASP CB . 34115 1 83 . 1 1 16 16 ASP N N 15 118.056 0.046 . 1 . . 29 . A 16 ASP N . 34115 1 84 . 1 1 17 17 ASP H H 1 8.228 0.02 . 1 . . 1719 . A 17 ASP H . 34115 1 85 . 1 1 17 17 ASP HA H 1 4.824 0.02 . 1 . . 478 . A 17 ASP HA . 34115 1 86 . 1 1 17 17 ASP HB2 H 1 2.760 0.02 . 1 . . 480 . A 17 ASP HB2 . 34115 1 87 . 1 1 17 17 ASP C C 13 176.532 0.3 . 1 . . 1723 . A 17 ASP C . 34115 1 88 . 1 1 17 17 ASP CA C 13 54.871 0.3 . 1 . . 1721 . A 17 ASP CA . 34115 1 89 . 1 1 17 17 ASP CB C 13 37.817 0.3 . 1 . . 1722 . A 17 ASP CB . 34115 1 90 . 1 1 17 17 ASP N N 15 118.255 0.3 . 1 . . 1720 . A 17 ASP N . 34115 1 91 . 1 1 18 18 MET H H 1 7.727 0.02 . 1 . . 1734 . A 18 MET H . 34115 1 92 . 1 1 18 18 MET HA H 1 4.061 0.02 . 1 . . 479 . A 18 MET HA . 34115 1 93 . 1 1 18 18 MET HB2 H 1 2.183 0.035 . 2 . . 482 . A 18 MET HB2 . 34115 1 94 . 1 1 18 18 MET HB3 H 1 2.911 0.02 . 2 . . 1726 . A 18 MET HB3 . 34115 1 95 . 1 1 18 18 MET HG2 H 1 2.601 0.02 . 2 . . 481 . A 18 MET HG2 . 34115 1 96 . 1 1 18 18 MET HG3 H 1 2.438 0.02 . 2 . . 1725 . A 18 MET HG3 . 34115 1 97 . 1 1 18 18 MET HE1 H 1 2.043 0.02 . 1 . . 1732 . A 18 MET HE1 . 34115 1 98 . 1 1 18 18 MET HE2 H 1 2.043 0.02 . 1 . . 1732 . A 18 MET HE2 . 34115 1 99 . 1 1 18 18 MET HE3 H 1 2.043 0.02 . 1 . . 1732 . A 18 MET HE3 . 34115 1 100 . 1 1 18 18 MET C C 13 177.328 0.3 . 1 . . 302 . A 18 MET C . 34115 1 101 . 1 1 18 18 MET CA C 13 59.073 0.3 . 1 . . 303 . A 18 MET CA . 34115 1 102 . 1 1 18 18 MET CB C 13 34.457 0.3 . 1 . . 304 . A 18 MET CB . 34115 1 103 . 1 1 18 18 MET CG C 13 32.304 0.3 . 1 . . 1724 . A 18 MET CG . 34115 1 104 . 1 1 18 18 MET CE C 13 14.798 0.3 . 1 . . 1733 . A 18 MET CE . 34115 1 105 . 1 1 18 18 MET N N 15 119.461 0.3 . 1 . . 1735 . A 18 MET N . 34115 1 106 . 1 1 19 19 THR H H 1 8.169 0.02 . 1 . . 1727 . A 19 THR H . 34115 1 107 . 1 1 19 19 THR HA H 1 3.999 0.02 . 1 . . 2427 . A 19 THR HA . 34115 1 108 . 1 1 19 19 THR HB H 1 4.199 0.02 . 1 . . 1738 . A 19 THR HB . 34115 1 109 . 1 1 19 19 THR HG1 H 1 4.413 0.02 . 1 . . 1739 . A 19 THR HG1 . 34115 1 110 . 1 1 19 19 THR HG21 H 1 1.296 0.02 . 1 . . 1736 . A 19 THR HG21 . 34115 1 111 . 1 1 19 19 THR HG22 H 1 1.296 0.02 . 1 . . 1736 . A 19 THR HG22 . 34115 1 112 . 1 1 19 19 THR HG23 H 1 1.296 0.02 . 1 . . 1736 . A 19 THR HG23 . 34115 1 113 . 1 1 19 19 THR C C 13 175.294 0.3 . 1 . . 1731 . A 19 THR C . 34115 1 114 . 1 1 19 19 THR CA C 13 63.905 0.3 . 1 . . 1729 . A 19 THR CA . 34115 1 115 . 1 1 19 19 THR CB C 13 68.566 0.3 . 1 . . 1730 . A 19 THR CB . 34115 1 116 . 1 1 19 19 THR CG2 C 13 19.882 0.3 . 1 . . 1737 . A 19 THR CG2 . 34115 1 117 . 1 1 19 19 THR N N 15 114.593 0.3 . 1 . . 1728 . A 19 THR N . 34115 1 118 . 1 1 20 20 PHE H H 1 9.295 0.01 . 1 . . 61 . A 20 PHE H . 34115 1 119 . 1 1 20 20 PHE HA H 1 4.606 0.02 . 1 . . 621 . A 20 PHE HA . 34115 1 120 . 1 1 20 20 PHE HB2 H 1 3.277 0.002 . 2 . . 622 . A 20 PHE HB2 . 34115 1 121 . 1 1 20 20 PHE HB3 H 1 3.537 0.02 . 2 . . 1740 . A 20 PHE HB3 . 34115 1 122 . 1 1 20 20 PHE HE1 H 1 6.952 0.02 . 1 . . 1741 . A 20 PHE HE1 . 34115 1 123 . 1 1 20 20 PHE HE2 H 1 6.952 0.02 . 1 . . 1741 . A 20 PHE HE2 . 34115 1 124 . 1 1 20 20 PHE HZ H 1 7.020 0.02 . 1 . . 1742 . A 20 PHE HZ . 34115 1 125 . 1 1 20 20 PHE C C 13 177.752 0.3 . 1 . . 333 . A 20 PHE C . 34115 1 126 . 1 1 20 20 PHE CA C 13 61.522 0.3 . 1 . . 332 . A 20 PHE CA . 34115 1 127 . 1 1 20 20 PHE CB C 13 38.664 0.3 . 1 . . 331 . A 20 PHE CB . 34115 1 128 . 1 1 20 20 PHE N N 15 122.060 0.031 . 1 . . 571 . A 20 PHE N . 34115 1 129 . 1 1 21 21 GLY H H 1 9.255 0.02 . 1 . . 1743 . A 21 GLY H . 34115 1 130 . 1 1 21 21 GLY HA2 H 1 4.032 0.02 . 1 . . 483 . A 21 GLY HA2 . 34115 1 131 . 1 1 21 21 GLY C C 13 175.707 0.3 . 1 . . 363 . A 21 GLY C . 34115 1 132 . 1 1 21 21 GLY CA C 13 47.162 0.3 . 1 . . 364 . A 21 GLY CA . 34115 1 133 . 1 1 21 21 GLY N N 15 105.670 0.3 . 1 . . 1744 . A 21 GLY N . 34115 1 134 . 1 1 22 22 GLU H H 1 8.385 0.02 . 1 . . 2524 . A 22 GLU H . 34115 1 135 . 1 1 22 22 GLU HA H 1 4.836 0.02 . 1 . . 625 . A 22 GLU HA . 34115 1 136 . 1 1 22 22 GLU HB2 H 1 2.204 0.02 . 2 . . 623 . A 22 GLU HB2 . 34115 1 137 . 1 1 22 22 GLU HB3 H 1 2.150 0.02 . 2 . . 1746 . A 22 GLU HB3 . 34115 1 138 . 1 1 22 22 GLU HG2 H 1 2.454 0.02 . 2 . . 624 . A 22 GLU HG2 . 34115 1 139 . 1 1 22 22 GLU HG3 H 1 2.410 0.02 . 2 . . 1745 . A 22 GLU HG3 . 34115 1 140 . 1 1 22 22 GLU C C 13 177.311 0.3 . 1 . . 301 . A 22 GLU C . 34115 1 141 . 1 1 22 22 GLU CA C 13 59.087 0.3 . 1 . . 300 . A 22 GLU CA . 34115 1 142 . 1 1 22 22 GLU CB C 13 29.194 0.3 . 1 . . 299 . A 22 GLU CB . 34115 1 143 . 1 1 22 22 GLU N N 15 119.048 0.3 . 1 . . 2525 . A 22 GLU N . 34115 1 144 . 1 1 23 23 ARG H H 1 8.273 0.004 . 1 . . 630 . A 23 ARG H . 34115 1 145 . 1 1 23 23 ARG HA H 1 4.345 0.02 . 1 . . 627 . A 23 ARG HA . 34115 1 146 . 1 1 23 23 ARG HB2 H 1 1.878 0.02 . 2 . . 628 . A 23 ARG HB2 . 34115 1 147 . 1 1 23 23 ARG HB3 H 1 1.864 0.02 . 2 . . 1747 . A 23 ARG HB3 . 34115 1 148 . 1 1 23 23 ARG HG2 H 1 1.639 0.02 . 2 . . 629 . A 23 ARG HG2 . 34115 1 149 . 1 1 23 23 ARG HG3 H 1 1.610 0.02 . 2 . . 1748 . A 23 ARG HG3 . 34115 1 150 . 1 1 23 23 ARG HD2 H 1 2.612 0.02 . 2 . . 461 . A 23 ARG HD2 . 34115 1 151 . 1 1 23 23 ARG HD3 H 1 2.630 0.02 . 2 . . 1749 . A 23 ARG HD3 . 34115 1 152 . 1 1 23 23 ARG HE H 1 7.382 0.02 . 1 . . 626 . A 23 ARG HE . 34115 1 153 . 1 1 23 23 ARG C C 13 178.827 0.3 . 1 . . 397 . A 23 ARG C . 34115 1 154 . 1 1 23 23 ARG CA C 13 58.412 0.3 . 1 . . 395 . A 23 ARG CA . 34115 1 155 . 1 1 23 23 ARG CB C 13 28.142 0.3 . 1 . . 396 . A 23 ARG CB . 34115 1 156 . 1 1 23 23 ARG N N 15 120.047 0.064 . 1 . . 429 . A 23 ARG N . 34115 1 157 . 1 1 24 24 ILE H H 1 7.982 0.02 . 1 . . 2474 . A 24 ILE H . 34115 1 158 . 1 1 24 24 ILE HA H 1 3.975 0.02 . 1 . . 632 . A 24 ILE HA . 34115 1 159 . 1 1 24 24 ILE HB H 1 1.813 0.02 . 1 . . 633 . A 24 ILE HB . 34115 1 160 . 1 1 24 24 ILE HG12 H 1 1.308 0.02 . 2 . . 1753 . A 24 ILE HG12 . 34115 1 161 . 1 1 24 24 ILE HG13 H 1 1.233 0.02 . 2 . . 1754 . A 24 ILE HG13 . 34115 1 162 . 1 1 24 24 ILE HG21 H 1 0.790 0.02 . 1 . . 1750 . A 24 ILE HG21 . 34115 1 163 . 1 1 24 24 ILE HG22 H 1 0.790 0.02 . 1 . . 1750 . A 24 ILE HG22 . 34115 1 164 . 1 1 24 24 ILE HG23 H 1 0.790 0.02 . 1 . . 1750 . A 24 ILE HG23 . 34115 1 165 . 1 1 24 24 ILE HD11 H 1 0.570 0.02 . 1 . . 544 . A 24 ILE HD11 . 34115 1 166 . 1 1 24 24 ILE HD12 H 1 0.570 0.02 . 1 . . 544 . A 24 ILE HD12 . 34115 1 167 . 1 1 24 24 ILE HD13 H 1 0.570 0.02 . 1 . . 544 . A 24 ILE HD13 . 34115 1 168 . 1 1 24 24 ILE C C 13 177.769 0.3 . 1 . . 201 . A 24 ILE C . 34115 1 169 . 1 1 24 24 ILE CA C 13 63.800 0.3 . 1 . . 200 . A 24 ILE CA . 34115 1 170 . 1 1 24 24 ILE CB C 13 36.497 0.3 . 1 . . 199 . A 24 ILE CB . 34115 1 171 . 1 1 24 24 ILE CG1 C 13 27.225 0.3 . 1 . . 1752 . A 24 ILE CG1 . 34115 1 172 . 1 1 24 24 ILE CG2 C 13 15.321 0.3 . 1 . . 1751 . A 24 ILE CG2 . 34115 1 173 . 1 1 24 24 ILE CD1 C 13 10.365 0.009 . 1 . . 543 . A 24 ILE CD1 . 34115 1 174 . 1 1 24 24 ILE N N 15 119.154 0.3 . 1 . . 2475 . A 24 ILE N . 34115 1 175 . 1 1 25 25 ILE H H 1 8.154 0.003 . 1 . . 631 . A 25 ILE H . 34115 1 176 . 1 1 25 25 ILE HA H 1 3.975 0.02 . 1 . . 634 . A 25 ILE HA . 34115 1 177 . 1 1 25 25 ILE HB H 1 1.935 0.02 . 1 . . 635 . A 25 ILE HB . 34115 1 178 . 1 1 25 25 ILE HG12 H 1 1.241 0.02 . 2 . . 1760 . A 25 ILE HG12 . 34115 1 179 . 1 1 25 25 ILE HG13 H 1 1.314 0.02 . 2 . . 1761 . A 25 ILE HG13 . 34115 1 180 . 1 1 25 25 ILE HG21 H 1 0.890 0.02 . 1 . . 1758 . A 25 ILE HG21 . 34115 1 181 . 1 1 25 25 ILE HG22 H 1 0.890 0.02 . 1 . . 1758 . A 25 ILE HG22 . 34115 1 182 . 1 1 25 25 ILE HG23 H 1 0.890 0.02 . 1 . . 1758 . A 25 ILE HG23 . 34115 1 183 . 1 1 25 25 ILE HD11 H 1 0.814 0.02 . 1 . . 1755 . A 25 ILE HD11 . 34115 1 184 . 1 1 25 25 ILE HD12 H 1 0.814 0.02 . 1 . . 1755 . A 25 ILE HD12 . 34115 1 185 . 1 1 25 25 ILE HD13 H 1 0.814 0.02 . 1 . . 1755 . A 25 ILE HD13 . 34115 1 186 . 1 1 25 25 ILE C C 13 175.178 0.3 . 1 . . 372 . A 25 ILE C . 34115 1 187 . 1 1 25 25 ILE CA C 13 65.189 0.3 . 1 . . 371 . A 25 ILE CA . 34115 1 188 . 1 1 25 25 ILE CB C 13 36.470 0.3 . 1 . . 370 . A 25 ILE CB . 34115 1 189 . 1 1 25 25 ILE CG1 C 13 27.742 0.3 . 1 . . 1759 . A 25 ILE CG1 . 34115 1 190 . 1 1 25 25 ILE CG2 C 13 15.233 0.3 . 1 . . 1757 . A 25 ILE CG2 . 34115 1 191 . 1 1 25 25 ILE CD1 C 13 9.982 0.3 . 1 . . 1756 . A 25 ILE CD1 . 34115 1 192 . 1 1 25 25 ILE N N 15 120.570 0.02 . 1 . . 606 . A 25 ILE N . 34115 1 193 . 1 1 26 26 TYR H H 1 8.522 0.02 . 1 . . 1762 . A 26 TYR H . 34115 1 194 . 1 1 26 26 TYR HA H 1 4.246 0.02 . 1 . . 637 . A 26 TYR HA . 34115 1 195 . 1 1 26 26 TYR HB2 H 1 3.228 0.001 . 2 . . 638 . A 26 TYR HB2 . 34115 1 196 . 1 1 26 26 TYR HB3 H 1 3.055 0.02 . 2 . . 1764 . A 26 TYR HB3 . 34115 1 197 . 1 1 26 26 TYR HD1 H 1 6.215 0.02 . 1 . . 1766 . A 26 TYR HD1 . 34115 1 198 . 1 1 26 26 TYR HD2 H 1 6.215 0.02 . 1 . . 1766 . A 26 TYR HD2 . 34115 1 199 . 1 1 26 26 TYR HE1 H 1 6.869 0.02 . 1 . . 1765 . A 26 TYR HE1 . 34115 1 200 . 1 1 26 26 TYR HE2 H 1 6.869 0.02 . 1 . . 1765 . A 26 TYR HE2 . 34115 1 201 . 1 1 26 26 TYR C C 13 178.019 0.3 . 1 . . 327 . A 26 TYR C . 34115 1 202 . 1 1 26 26 TYR CA C 13 61.407 0.004 . 1 . . 326 . A 26 TYR CA . 34115 1 203 . 1 1 26 26 TYR CB C 13 37.652 0.007 . 1 . . 325 . A 26 TYR CB . 34115 1 204 . 1 1 26 26 TYR N N 15 119.957 0.3 . 1 . . 1763 . A 26 TYR N . 34115 1 205 . 1 1 27 27 HIS H H 1 8.296 0.016 . 1 . . 639 . A 27 HIS H . 34115 1 206 . 1 1 27 27 HIS HA H 1 4.345 0.02 . 1 . . 640 . A 27 HIS HA . 34115 1 207 . 1 1 27 27 HIS HB2 H 1 3.389 0.001 . 2 . . 641 . A 27 HIS HB2 . 34115 1 208 . 1 1 27 27 HIS HB3 H 1 3.313 0.02 . 2 . . 1767 . A 27 HIS HB3 . 34115 1 209 . 1 1 27 27 HIS C C 13 177.977 0.3 . 1 . . 111 . A 27 HIS C . 34115 1 210 . 1 1 27 27 HIS CA C 13 59.559 0.049 . 1 . . 110 . A 27 HIS CA . 34115 1 211 . 1 1 27 27 HIS CB C 13 29.408 0.023 . 1 . . 109 . A 27 HIS CB . 34115 1 212 . 1 1 27 27 HIS N N 15 116.088 0.041 . 1 . . 57 . A 27 HIS N . 34115 1 213 . 1 1 28 28 CYS H H 1 8.347 0.02 . 1 . . 1768 . A 28 CYS H . 34115 1 214 . 1 1 28 28 CYS HA H 1 4.193 0.004 . 1 . . 484 . A 28 CYS HA . 34115 1 215 . 1 1 28 28 CYS HB2 H 1 3.388 0.02 . 2 . . 487 . A 28 CYS HB2 . 34115 1 216 . 1 1 28 28 CYS HB3 H 1 3.301 0.02 . 2 . . 1770 . A 28 CYS HB3 . 34115 1 217 . 1 1 28 28 CYS C C 13 174.886 0.3 . 1 . . 131 . A 28 CYS C . 34115 1 218 . 1 1 28 28 CYS CA C 13 63.542 0.3 . 1 . . 130 . A 28 CYS CA . 34115 1 219 . 1 1 28 28 CYS CB C 13 27.166 0.034 . 1 . . 129 . A 28 CYS CB . 34115 1 220 . 1 1 28 28 CYS N N 15 116.704 0.3 . 1 . . 1769 . A 28 CYS N . 34115 1 221 . 1 1 29 29 LYS H H 1 7.989 0.02 . 1 . . 1771 . A 29 LYS H . 34115 1 222 . 1 1 29 29 LYS HA H 1 4.085 0.02 . 1 . . 485 . A 29 LYS HA . 34115 1 223 . 1 1 29 29 LYS HB2 H 1 1.924 0.008 . 2 . . 489 . A 29 LYS HB2 . 34115 1 224 . 1 1 29 29 LYS HB3 H 1 1.783 0.02 . 2 . . 1773 . A 29 LYS HB3 . 34115 1 225 . 1 1 29 29 LYS HG2 H 1 1.439 0.009 . 2 . . 488 . A 29 LYS HG2 . 34115 1 226 . 1 1 29 29 LYS HG3 H 1 1.368 0.02 . 2 . . 1774 . A 29 LYS HG3 . 34115 1 227 . 1 1 29 29 LYS HD2 H 1 1.089 0.02 . 2 . . 1775 . A 29 LYS HD2 . 34115 1 228 . 1 1 29 29 LYS HD3 H 1 1.116 0.02 . 2 . . 1776 . A 29 LYS HD3 . 34115 1 229 . 1 1 29 29 LYS HE2 H 1 2.679 0.02 . 1 . . 1777 . A 29 LYS HE2 . 34115 1 230 . 1 1 29 29 LYS C C 13 177.620 0.3 . 1 . . 101 . A 29 LYS C . 34115 1 231 . 1 1 29 29 LYS CA C 13 58.588 0.002 . 1 . . 100 . A 29 LYS CA . 34115 1 232 . 1 1 29 29 LYS CB C 13 31.860 0.009 . 1 . . 99 . A 29 LYS CB . 34115 1 233 . 1 1 29 29 LYS CG C 13 27.911 0.3 . 1 . . 1778 . A 29 LYS CG . 34115 1 234 . 1 1 29 29 LYS CD C 13 30.735 0.3 . 1 . . 1779 . A 29 LYS CD . 34115 1 235 . 1 1 29 29 LYS N N 15 115.402 0.3 . 1 . . 1772 . A 29 LYS N . 34115 1 236 . 1 1 30 30 LYS H H 1 7.543 0.02 . 1 . . 1780 . A 30 LYS H . 34115 1 237 . 1 1 30 30 LYS HA H 1 4.084 0.02 . 1 . . 486 . A 30 LYS HA . 34115 1 238 . 1 1 30 30 LYS HB2 H 1 1.907 0.02 . 2 . . 1782 . A 30 LYS HB2 . 34115 1 239 . 1 1 30 30 LYS HB3 H 1 1.817 0.02 . 2 . . 1783 . A 30 LYS HB3 . 34115 1 240 . 1 1 30 30 LYS HG2 H 1 1.404 0.011 . 2 . . 490 . A 30 LYS HG2 . 34115 1 241 . 1 1 30 30 LYS HG3 H 1 1.442 0.02 . 2 . . 1784 . A 30 LYS HG3 . 34115 1 242 . 1 1 30 30 LYS C C 13 177.236 0.3 . 1 . . 115 . A 30 LYS C . 34115 1 243 . 1 1 30 30 LYS CA C 13 56.948 0.3 . 1 . . 114 . A 30 LYS CA . 34115 1 244 . 1 1 30 30 LYS CB C 13 32.042 0.3 . 1 . . 291 . A 30 LYS CB . 34115 1 245 . 1 1 30 30 LYS CG C 13 26.978 0.3 . 1 . . 1785 . A 30 LYS CG . 34115 1 246 . 1 1 30 30 LYS CD C 13 31.661 0.3 . 1 . . 1786 . A 30 LYS CD . 34115 1 247 . 1 1 30 30 LYS CE C 13 40.270 0.3 . 1 . . 1787 . A 30 LYS CE . 34115 1 248 . 1 1 30 30 LYS N N 15 116.057 0.3 . 1 . . 1781 . A 30 LYS N . 34115 1 249 . 1 1 31 31 GLN H H 1 7.669 0.02 . 1 . . 1788 . A 31 GLN H . 34115 1 250 . 1 1 31 31 GLN HA H 1 4.211 0.02 . 1 . . 1790 . A 31 GLN HA . 34115 1 251 . 1 1 31 31 GLN HB2 H 1 2.318 0.02 . 2 . . 491 . A 31 GLN HB2 . 34115 1 252 . 1 1 31 31 GLN HB3 H 1 2.397 0.02 . 2 . . 1791 . A 31 GLN HB3 . 34115 1 253 . 1 1 31 31 GLN C C 13 173.218 0.3 . 1 . . 113 . A 31 GLN C . 34115 1 254 . 1 1 31 31 GLN CA C 13 53.788 0.3 . 1 . . 2176 . A 31 GLN CA . 34115 1 255 . 1 1 31 31 GLN CB C 13 28.713 0.3 . 1 . . 112 . A 31 GLN CB . 34115 1 256 . 1 1 31 31 GLN CG C 13 34.967 0.3 . 1 . . 1792 . A 31 GLN CG . 34115 1 257 . 1 1 31 31 GLN N N 15 116.371 0.3 . 1 . . 1789 . A 31 GLN N . 34115 1 258 . 1 1 32 32 PRO CA C 13 62.390 0.3 . 1 . . 2177 . A 32 PRO CA . 34115 1 259 . 1 1 32 32 PRO CB C 13 34.164 0.3 . 1 . . 2178 . A 32 PRO CB . 34115 1 260 . 1 1 33 33 LEU HD11 H 1 0.826 0.02 . 1 . . 1713 . A 33 LEU HD11 . 34115 1 261 . 1 1 33 33 LEU HD12 H 1 0.826 0.02 . 1 . . 1713 . A 33 LEU HD12 . 34115 1 262 . 1 1 33 33 LEU HD13 H 1 0.826 0.02 . 1 . . 1713 . A 33 LEU HD13 . 34115 1 263 . 1 1 33 33 LEU CA C 13 54.362 0.3 . 1 . . 2179 . A 33 LEU CA . 34115 1 264 . 1 1 33 33 LEU CB C 13 42.404 0.3 . 1 . . 1793 . A 33 LEU CB . 34115 1 265 . 1 1 33 33 LEU CD1 C 13 20.762 0.3 . 1 . . 1714 . A 33 LEU CD1 . 34115 1 266 . 1 1 34 34 VAL H H 1 7.874 0.02 . 1 . . 1795 . A 34 VAL H . 34115 1 267 . 1 1 34 34 VAL HA H 1 4.481 0.02 . 1 . . 642 . A 34 VAL HA . 34115 1 268 . 1 1 34 34 VAL HB H 1 2.111 0.02 . 1 . . 643 . A 34 VAL HB . 34115 1 269 . 1 1 34 34 VAL HG11 H 1 0.887 0.02 . 2 . . 1794 . A 34 VAL HG11 . 34115 1 270 . 1 1 34 34 VAL HG12 H 1 0.887 0.02 . 2 . . 1794 . A 34 VAL HG12 . 34115 1 271 . 1 1 34 34 VAL HG13 H 1 0.887 0.02 . 2 . . 1794 . A 34 VAL HG13 . 34115 1 272 . 1 1 34 34 VAL HG21 H 1 0.840 0.02 . 2 . . 1854 . A 34 VAL HG21 . 34115 1 273 . 1 1 34 34 VAL HG22 H 1 0.840 0.02 . 2 . . 1854 . A 34 VAL HG22 . 34115 1 274 . 1 1 34 34 VAL HG23 H 1 0.840 0.02 . 2 . . 1854 . A 34 VAL HG23 . 34115 1 275 . 1 1 34 34 VAL C C 13 175.647 0.3 . 1 . . 202 . A 34 VAL C . 34115 1 276 . 1 1 34 34 VAL CA C 13 60.732 0.3 . 1 . . 1798 . A 34 VAL CA . 34115 1 277 . 1 1 34 34 VAL CB C 13 32.844 0.3 . 1 . . 1797 . A 34 VAL CB . 34115 1 278 . 1 1 34 34 VAL CG1 C 13 18.963 0.3 . 2 . . 1712 . A 34 VAL CG1 . 34115 1 279 . 1 1 34 34 VAL CG2 C 13 17.832 0.3 . 2 . . 1855 . A 34 VAL CG2 . 34115 1 280 . 1 1 34 34 VAL N N 15 118.804 0.3 . 1 . . 1796 . A 34 VAL N . 34115 1 281 . 1 1 35 35 PRO CA C 13 66.614 0.3 . 1 . . 1800 . A 35 PRO CA . 34115 1 282 . 1 1 35 35 PRO CB C 13 32.424 0.3 . 1 . . 1799 . A 35 PRO CB . 34115 1 283 . 1 1 36 36 ILE HG21 H 1 0.812 0.02 . 1 . . 756 . A 36 ILE HG21 . 34115 1 284 . 1 1 36 36 ILE HG22 H 1 0.812 0.02 . 1 . . 756 . A 36 ILE HG22 . 34115 1 285 . 1 1 36 36 ILE HG23 H 1 0.812 0.02 . 1 . . 756 . A 36 ILE HG23 . 34115 1 286 . 1 1 36 36 ILE HD11 H 1 0.781 0.02 . 1 . . 755 . A 36 ILE HD11 . 34115 1 287 . 1 1 36 36 ILE HD12 H 1 0.781 0.02 . 1 . . 755 . A 36 ILE HD12 . 34115 1 288 . 1 1 36 36 ILE HD13 H 1 0.781 0.02 . 1 . . 755 . A 36 ILE HD13 . 34115 1 289 . 1 1 36 36 ILE C C 13 177.594 0.3 . 1 . . 369 . A 36 ILE C . 34115 1 290 . 1 1 36 36 ILE CA C 13 65.126 0.3 . 1 . . 368 . A 36 ILE CA . 34115 1 291 . 1 1 36 36 ILE CB C 13 36.824 0.3 . 1 . . 367 . A 36 ILE CB . 34115 1 292 . 1 1 36 36 ILE CG2 C 13 13.949 0.3 . 1 . . 538 . A 36 ILE CG2 . 34115 1 293 . 1 1 36 36 ILE CD1 C 13 10.532 0.021 . 1 . . 493 . A 36 ILE CD1 . 34115 1 294 . 1 1 37 37 GLY H H 1 8.924 0.02 . 1 . . 1801 . A 37 GLY H . 34115 1 295 . 1 1 37 37 GLY HA2 H 1 4.140 0.02 . 2 . . 492 . A 37 GLY HA2 . 34115 1 296 . 1 1 37 37 GLY HA3 H 1 4.179 0.02 . 2 . . 1802 . A 37 GLY HA3 . 34115 1 297 . 1 1 37 37 GLY C C 13 176.756 0.3 . 1 . . 93 . A 37 GLY C . 34115 1 298 . 1 1 37 37 GLY CA C 13 47.147 0.3 . 1 . . 92 . A 37 GLY CA . 34115 1 299 . 1 1 37 37 GLY N N 15 108.201 0.044 . 1 . . 54 . A 37 GLY N . 34115 1 300 . 1 1 38 38 CYS H H 1 8.012 0.02 . 1 . . 2501 . A 38 CYS H . 34115 1 301 . 1 1 38 38 CYS HA H 1 4.830 0.02 . 1 . . 1919 . A 38 CYS HA . 34115 1 302 . 1 1 38 38 CYS HB2 H 1 2.728 0.02 . 2 . . 1920 . A 38 CYS HB2 . 34115 1 303 . 1 1 38 38 CYS HB3 H 1 2.881 0.02 . 2 . . 1921 . A 38 CYS HB3 . 34115 1 304 . 1 1 38 38 CYS C C 13 175.545 0.3 . 1 . . 1967 . A 38 CYS C . 34115 1 305 . 1 1 38 38 CYS CA C 13 60.130 0.3 . 1 . . 1965 . A 38 CYS CA . 34115 1 306 . 1 1 38 38 CYS CB C 13 25.446 0.3 . 1 . . 1966 . A 38 CYS CB . 34115 1 307 . 1 1 38 38 CYS N N 15 118.952 0.3 . 1 . . 2502 . A 38 CYS N . 34115 1 308 . 1 1 39 39 LEU H H 1 8.141 0.015 . 1 . . 313 . A 39 LEU H . 34115 1 309 . 1 1 39 39 LEU HA H 1 4.260 0.02 . 1 . . 644 . A 39 LEU HA . 34115 1 310 . 1 1 39 39 LEU HB2 H 1 1.917 0.02 . 2 . . 645 . A 39 LEU HB2 . 34115 1 311 . 1 1 39 39 LEU HB3 H 1 1.887 0.02 . 2 . . 1922 . A 39 LEU HB3 . 34115 1 312 . 1 1 39 39 LEU HG H 1 1.547 0.02 . 1 . . 1923 . A 39 LEU HG . 34115 1 313 . 1 1 39 39 LEU HD11 H 1 0.884 0.02 . 1 . . 1715 . A 39 LEU HD11 . 34115 1 314 . 1 1 39 39 LEU HD12 H 1 0.884 0.02 . 1 . . 1715 . A 39 LEU HD12 . 34115 1 315 . 1 1 39 39 LEU HD13 H 1 0.884 0.02 . 1 . . 1715 . A 39 LEU HD13 . 34115 1 316 . 1 1 39 39 LEU C C 13 177.093 0.3 . 1 . . 315 . A 39 LEU C . 34115 1 317 . 1 1 39 39 LEU CA C 13 59.027 0.3 . 1 . . 316 . A 39 LEU CA . 34115 1 318 . 1 1 39 39 LEU CB C 13 40.992 0.3 . 1 . . 2544 . A 39 LEU CB . 34115 1 319 . 1 1 39 39 LEU CG C 13 28.524 0.3 . 1 . . 1924 . A 39 LEU CG . 34115 1 320 . 1 1 39 39 LEU CD1 C 13 22.516 0.3 . 1 . . 1716 . A 39 LEU CD1 . 34115 1 321 . 1 1 39 39 LEU N N 15 120.261 0.087 . 1 . . 314 . A 39 LEU N . 34115 1 322 . 1 1 40 40 LEU H H 1 8.246 0.02 . 1 . . 2522 . A 40 LEU H . 34115 1 323 . 1 1 40 40 LEU HA H 1 4.390 0.02 . 1 . . 496 . A 40 LEU HA . 34115 1 324 . 1 1 40 40 LEU HB2 H 1 1.664 0.02 . 2 . . 646 . A 40 LEU HB2 . 34115 1 325 . 1 1 40 40 LEU HB3 H 1 1.677 0.02 . 2 . . 1925 . A 40 LEU HB3 . 34115 1 326 . 1 1 40 40 LEU HG H 1 1.879 0.02 . 1 . . 1926 . A 40 LEU HG . 34115 1 327 . 1 1 40 40 LEU HD11 H 1 0.805 0.02 . 2 . . 1909 . A 40 LEU HD11 . 34115 1 328 . 1 1 40 40 LEU HD12 H 1 0.805 0.02 . 2 . . 1909 . A 40 LEU HD12 . 34115 1 329 . 1 1 40 40 LEU HD13 H 1 0.805 0.02 . 2 . . 1909 . A 40 LEU HD13 . 34115 1 330 . 1 1 40 40 LEU HD21 H 1 0.874 0.02 . 2 . . 1911 . A 40 LEU HD21 . 34115 1 331 . 1 1 40 40 LEU HD22 H 1 0.874 0.02 . 2 . . 1911 . A 40 LEU HD22 . 34115 1 332 . 1 1 40 40 LEU HD23 H 1 0.874 0.02 . 2 . . 1911 . A 40 LEU HD23 . 34115 1 333 . 1 1 40 40 LEU C C 13 181.708 0.3 . 1 . . 1932 . A 40 LEU C . 34115 1 334 . 1 1 40 40 LEU CA C 13 59.214 0.3 . 1 . . 1929 . A 40 LEU CA . 34115 1 335 . 1 1 40 40 LEU CB C 13 41.789 0.3 . 1 . . 1930 . A 40 LEU CB . 34115 1 336 . 1 1 40 40 LEU CG C 13 25.251 0.3 . 1 . . 1931 . A 40 LEU CG . 34115 1 337 . 1 1 40 40 LEU CD1 C 13 21.394 0.3 . 2 . . 1910 . A 40 LEU CD1 . 34115 1 338 . 1 1 40 40 LEU CD2 C 13 22.349 0.3 . 2 . . 1912 . A 40 LEU CD2 . 34115 1 339 . 1 1 40 40 LEU N N 15 120.851 0.3 . 1 . . 2523 . A 40 LEU N . 34115 1 340 . 1 1 41 41 THR H H 1 8.192 0.02 . 1 . . 2457 . A 41 THR H . 34115 1 341 . 1 1 41 41 THR HA H 1 4.498 0.02 . 1 . . 494 . A 41 THR HA . 34115 1 342 . 1 1 41 41 THR HB H 1 4.252 0.02 . 1 . . 495 . A 41 THR HB . 34115 1 343 . 1 1 41 41 THR HG21 H 1 1.239 0.02 . 1 . . 1841 . A 41 THR HG21 . 34115 1 344 . 1 1 41 41 THR HG22 H 1 1.239 0.02 . 1 . . 1841 . A 41 THR HG22 . 34115 1 345 . 1 1 41 41 THR HG23 H 1 1.239 0.02 . 1 . . 1841 . A 41 THR HG23 . 34115 1 346 . 1 1 41 41 THR C C 13 176.693 0.3 . 1 . . 1934 . A 41 THR C . 34115 1 347 . 1 1 41 41 THR CA C 13 64.667 0.3 . 1 . . 1935 . A 41 THR CA . 34115 1 348 . 1 1 41 41 THR CB C 13 67.454 0.3 . 1 . . 1933 . A 41 THR CB . 34115 1 349 . 1 1 41 41 THR CG2 C 13 19.405 0.3 . 1 . . 1842 . A 41 THR CG2 . 34115 1 350 . 1 1 41 41 THR N N 15 115.268 0.3 . 1 . . 2458 . A 41 THR N . 34115 1 351 . 1 1 42 42 THR H H 1 8.028 0.02 . 1 . . 2491 . A 42 THR H . 34115 1 352 . 1 1 42 42 THR HA H 1 4.466 0.02 . 1 . . 1927 . A 42 THR HA . 34115 1 353 . 1 1 42 42 THR HB H 1 3.966 0.02 . 1 . . 647 . A 42 THR HB . 34115 1 354 . 1 1 42 42 THR HG21 H 1 1.172 0.02 . 1 . . 1845 . A 42 THR HG21 . 34115 1 355 . 1 1 42 42 THR HG22 H 1 1.172 0.02 . 1 . . 1845 . A 42 THR HG22 . 34115 1 356 . 1 1 42 42 THR HG23 H 1 1.172 0.02 . 1 . . 1845 . A 42 THR HG23 . 34115 1 357 . 1 1 42 42 THR C C 13 177.840 0.3 . 1 . . 1938 . A 42 THR C . 34115 1 358 . 1 1 42 42 THR CA C 13 64.590 0.3 . 1 . . 1936 . A 42 THR CA . 34115 1 359 . 1 1 42 42 THR CB C 13 67.609 0.3 . 1 . . 1937 . A 42 THR CB . 34115 1 360 . 1 1 42 42 THR CG2 C 13 19.291 0.3 . 1 . . 1846 . A 42 THR CG2 . 34115 1 361 . 1 1 42 42 THR N N 15 112.792 0.3 . 1 . . 2492 . A 42 THR N . 34115 1 362 . 1 1 43 43 GLY H H 1 8.544 0.02 . 1 . . 2535 . A 43 GLY H . 34115 1 363 . 1 1 43 43 GLY HA2 H 1 3.773 0.02 . 2 . . 422 . A 43 GLY HA2 . 34115 1 364 . 1 1 43 43 GLY HA3 H 1 3.811 0.02 . 2 . . 1928 . A 43 GLY HA3 . 34115 1 365 . 1 1 43 43 GLY C C 13 174.258 0.3 . 1 . . 91 . A 43 GLY C . 34115 1 366 . 1 1 43 43 GLY CA C 13 47.334 0.3 . 1 . . 90 . A 43 GLY CA . 34115 1 367 . 1 1 43 43 GLY N N 15 107.114 0.062 . 1 . . 421 . A 43 GLY N . 34115 1 368 . 1 1 44 44 ALA H H 1 8.359 0.001 . 1 . . 432 . A 44 ALA H . 34115 1 369 . 1 1 44 44 ALA HA H 1 4.151 0.001 . 1 . . 648 . A 44 ALA HA . 34115 1 370 . 1 1 44 44 ALA HB1 H 1 1.457 0.02 . 1 . . 1825 . A 44 ALA HB1 . 34115 1 371 . 1 1 44 44 ALA HB2 H 1 1.457 0.02 . 1 . . 1825 . A 44 ALA HB2 . 34115 1 372 . 1 1 44 44 ALA HB3 H 1 1.457 0.02 . 1 . . 1825 . A 44 ALA HB3 . 34115 1 373 . 1 1 44 44 ALA C C 13 179.206 0.3 . 1 . . 271 . A 44 ALA C . 34115 1 374 . 1 1 44 44 ALA CA C 13 53.678 0.013 . 1 . . 272 . A 44 ALA CA . 34115 1 375 . 1 1 44 44 ALA CB C 13 15.661 0.3 . 1 . . 1826 . A 44 ALA CB . 34115 1 376 . 1 1 44 44 ALA N N 15 122.570 0.015 . 1 . . 433 . A 44 ALA N . 34115 1 377 . 1 1 45 45 VAL H H 1 8.107 0.02 . 1 . . 2493 . A 45 VAL H . 34115 1 378 . 1 1 45 45 VAL HA H 1 4.266 0.02 . 1 . . 650 . A 45 VAL HA . 34115 1 379 . 1 1 45 45 VAL HB H 1 1.993 0.02 . 1 . . 649 . A 45 VAL HB . 34115 1 380 . 1 1 45 45 VAL HG11 H 1 0.948 0.02 . 2 . . 1861 . A 45 VAL HG11 . 34115 1 381 . 1 1 45 45 VAL HG12 H 1 0.948 0.02 . 2 . . 1861 . A 45 VAL HG12 . 34115 1 382 . 1 1 45 45 VAL HG13 H 1 0.948 0.02 . 2 . . 1861 . A 45 VAL HG13 . 34115 1 383 . 1 1 45 45 VAL HG21 H 1 0.985 0.02 . 2 . . 1863 . A 45 VAL HG21 . 34115 1 384 . 1 1 45 45 VAL HG22 H 1 0.985 0.02 . 2 . . 1863 . A 45 VAL HG22 . 34115 1 385 . 1 1 45 45 VAL HG23 H 1 0.985 0.02 . 2 . . 1863 . A 45 VAL HG23 . 34115 1 386 . 1 1 45 45 VAL C C 13 178.349 0.3 . 1 . . 473 . A 45 VAL C . 34115 1 387 . 1 1 45 45 VAL CA C 13 65.076 0.3 . 1 . . 296 . A 45 VAL CA . 34115 1 388 . 1 1 45 45 VAL CB C 13 31.511 0.3 . 1 . . 295 . A 45 VAL CB . 34115 1 389 . 1 1 45 45 VAL CG1 C 13 19.003 0.3 . 2 . . 1862 . A 45 VAL CG1 . 34115 1 390 . 1 1 45 45 VAL CG2 C 13 20.691 0.3 . 2 . . 1864 . A 45 VAL CG2 . 34115 1 391 . 1 1 45 45 VAL N N 15 117.746 0.3 . 1 . . 2494 . A 45 VAL N . 34115 1 392 . 1 1 46 46 ILE H H 1 8.225 0.02 . 1 . . 2489 . A 46 ILE H . 34115 1 393 . 1 1 46 46 ILE HG12 H 1 1.210 0.02 . 2 . . 1941 . A 46 ILE HG12 . 34115 1 394 . 1 1 46 46 ILE HG13 H 1 1.323 0.02 . 2 . . 1942 . A 46 ILE HG13 . 34115 1 395 . 1 1 46 46 ILE HG21 H 1 0.764 0.02 . 1 . . 1811 . A 46 ILE HG21 . 34115 1 396 . 1 1 46 46 ILE HG22 H 1 0.764 0.02 . 1 . . 1811 . A 46 ILE HG22 . 34115 1 397 . 1 1 46 46 ILE HG23 H 1 0.764 0.02 . 1 . . 1811 . A 46 ILE HG23 . 34115 1 398 . 1 1 46 46 ILE HD11 H 1 0.833 0.02 . 1 . . 1805 . A 46 ILE HD11 . 34115 1 399 . 1 1 46 46 ILE HD12 H 1 0.833 0.02 . 1 . . 1805 . A 46 ILE HD12 . 34115 1 400 . 1 1 46 46 ILE HD13 H 1 0.833 0.02 . 1 . . 1805 . A 46 ILE HD13 . 34115 1 401 . 1 1 46 46 ILE C C 13 179.447 0.3 . 1 . . 1939 . A 46 ILE C . 34115 1 402 . 1 1 46 46 ILE CA C 13 65.117 0.3 . 1 . . 401 . A 46 ILE CA . 34115 1 403 . 1 1 46 46 ILE CB C 13 36.493 0.3 . 1 . . 400 . A 46 ILE CB . 34115 1 404 . 1 1 46 46 ILE CG1 C 13 27.536 0.3 . 1 . . 1940 . A 46 ILE CG1 . 34115 1 405 . 1 1 46 46 ILE CG2 C 13 13.720 0.3 . 1 . . 1812 . A 46 ILE CG2 . 34115 1 406 . 1 1 46 46 ILE CD1 C 13 10.530 0.3 . 1 . . 1806 . A 46 ILE CD1 . 34115 1 407 . 1 1 46 46 ILE N N 15 118.757 0.3 . 1 . . 2490 . A 46 ILE N . 34115 1 408 . 1 1 47 47 LEU H H 1 8.154 0.002 . 1 . . 353 . A 47 LEU H . 34115 1 409 . 1 1 47 47 LEU HA H 1 4.344 0.02 . 1 . . 466 . A 47 LEU HA . 34115 1 410 . 1 1 47 47 LEU HB2 H 1 1.800 0.02 . 2 . . 468 . A 47 LEU HB2 . 34115 1 411 . 1 1 47 47 LEU HB3 H 1 1.841 0.02 . 2 . . 1944 . A 47 LEU HB3 . 34115 1 412 . 1 1 47 47 LEU HG H 1 1.924 0.02 . 1 . . 467 . A 47 LEU HG . 34115 1 413 . 1 1 47 47 LEU HD11 H 1 0.868 0.02 . 2 . . 1885 . A 47 LEU HD11 . 34115 1 414 . 1 1 47 47 LEU HD12 H 1 0.868 0.02 . 2 . . 1885 . A 47 LEU HD12 . 34115 1 415 . 1 1 47 47 LEU HD13 H 1 0.868 0.02 . 2 . . 1885 . A 47 LEU HD13 . 34115 1 416 . 1 1 47 47 LEU HD21 H 1 0.765 0.02 . 2 . . 1887 . A 47 LEU HD21 . 34115 1 417 . 1 1 47 47 LEU HD22 H 1 0.765 0.02 . 2 . . 1887 . A 47 LEU HD22 . 34115 1 418 . 1 1 47 47 LEU HD23 H 1 0.765 0.02 . 2 . . 1887 . A 47 LEU HD23 . 34115 1 419 . 1 1 47 47 LEU C C 13 178.415 0.3 . 1 . . 356 . A 47 LEU C . 34115 1 420 . 1 1 47 47 LEU CA C 13 57.730 0.3 . 1 . . 1943 . A 47 LEU CA . 34115 1 421 . 1 1 47 47 LEU CB C 13 41.109 0.01 . 1 . . 355 . A 47 LEU CB . 34115 1 422 . 1 1 47 47 LEU CG C 13 27.614 0.3 . 1 . . 1945 . A 47 LEU CG . 34115 1 423 . 1 1 47 47 LEU CD1 C 13 21.881 0.3 . 2 . . 1886 . A 47 LEU CD1 . 34115 1 424 . 1 1 47 47 LEU CD2 C 13 21.415 0.3 . 2 . . 1888 . A 47 LEU CD2 . 34115 1 425 . 1 1 47 47 LEU N N 15 120.595 0.0 . 1 . . 354 . A 47 LEU N . 34115 1 426 . 1 1 48 48 ALA H H 1 8.087 0.002 . 1 . . 437 . A 48 ALA H . 34115 1 427 . 1 1 48 48 ALA HA H 1 4.393 0.023 . 1 . . 501 . A 48 ALA HA . 34115 1 428 . 1 1 48 48 ALA HB1 H 1 1.442 0.02 . 1 . . 1833 . A 48 ALA HB1 . 34115 1 429 . 1 1 48 48 ALA HB2 H 1 1.442 0.02 . 1 . . 1833 . A 48 ALA HB2 . 34115 1 430 . 1 1 48 48 ALA HB3 H 1 1.442 0.02 . 1 . . 1833 . A 48 ALA HB3 . 34115 1 431 . 1 1 48 48 ALA C C 13 179.112 0.3 . 1 . . 190 . A 48 ALA C . 34115 1 432 . 1 1 48 48 ALA CA C 13 53.723 0.3 . 1 . . 189 . A 48 ALA CA . 34115 1 433 . 1 1 48 48 ALA CB C 13 16.102 0.3 . 1 . . 1834 . A 48 ALA CB . 34115 1 434 . 1 1 48 48 ALA N N 15 121.238 0.3 . 1 . . 2467 . A 48 ALA N . 34115 1 435 . 1 1 49 49 ALA H H 1 8.210 0.073 . 1 . . 498 . A 49 ALA H . 34115 1 436 . 1 1 49 49 ALA HA H 1 4.344 0.02 . 1 . . 465 . A 49 ALA HA . 34115 1 437 . 1 1 49 49 ALA HB1 H 1 1.449 0.02 . 1 . . 1839 . A 49 ALA HB1 . 34115 1 438 . 1 1 49 49 ALA HB2 H 1 1.449 0.02 . 1 . . 1839 . A 49 ALA HB2 . 34115 1 439 . 1 1 49 49 ALA HB3 H 1 1.449 0.02 . 1 . . 1839 . A 49 ALA HB3 . 34115 1 440 . 1 1 49 49 ALA C C 13 178.894 0.3 . 1 . . 374 . A 49 ALA C . 34115 1 441 . 1 1 49 49 ALA CA C 13 53.798 0.3 . 1 . . 373 . A 49 ALA CA . 34115 1 442 . 1 1 49 49 ALA CB C 13 17.252 0.3 . 1 . . 1840 . A 49 ALA CB . 34115 1 443 . 1 1 49 49 ALA N N 15 122.706 0.3 . 1 . . 2543 . A 49 ALA N . 34115 1 444 . 1 1 50 50 GLN H H 1 8.256 0.077 . 1 . . 499 . A 50 GLN H . 34115 1 445 . 1 1 50 50 GLN HA H 1 4.194 0.02 . 1 . . 504 . A 50 GLN HA . 34115 1 446 . 1 1 50 50 GLN HB2 H 1 2.264 0.003 . 2 . . 503 . A 50 GLN HB2 . 34115 1 447 . 1 1 50 50 GLN HB3 H 1 2.132 0.02 . 2 . . 1948 . A 50 GLN HB3 . 34115 1 448 . 1 1 50 50 GLN HG2 H 1 2.479 0.02 . 2 . . 502 . A 50 GLN HG2 . 34115 1 449 . 1 1 50 50 GLN HG3 H 1 2.342 0.02 . 2 . . 1949 . A 50 GLN HG3 . 34115 1 450 . 1 1 50 50 GLN C C 13 176.234 0.3 . 1 . . 1947 . A 50 GLN C . 34115 1 451 . 1 1 50 50 GLN CA C 13 59.133 0.077 . 1 . . 102 . A 50 GLN CA . 34115 1 452 . 1 1 50 50 GLN CB C 13 29.472 0.3 . 1 . . 1946 . A 50 GLN CB . 34115 1 453 . 1 1 50 50 GLN CG C 13 34.891 0.3 . 1 . . 1950 . A 50 GLN CG . 34115 1 454 . 1 1 50 50 GLN N N 15 118.868 0.3 . 1 . . 1951 . A 50 GLN N . 34115 1 455 . 1 1 51 51 ASN H H 1 8.116 0.052 . 1 . . 500 . A 51 ASN H . 34115 1 456 . 1 1 51 51 ASN HA H 1 4.809 0.02 . 1 . . 462 . A 51 ASN HA . 34115 1 457 . 1 1 51 51 ASN HB2 H 1 2.741 0.02 . 2 . . 463 . A 51 ASN HB2 . 34115 1 458 . 1 1 51 51 ASN HB3 H 1 2.787 0.02 . 2 . . 1952 . A 51 ASN HB3 . 34115 1 459 . 1 1 51 51 ASN C C 13 175.755 0.3 . 1 . . 126 . A 51 ASN C . 34115 1 460 . 1 1 51 51 ASN CA C 13 54.563 0.067 . 1 . . 127 . A 51 ASN CA . 34115 1 461 . 1 1 51 51 ASN CB C 13 39.161 0.032 . 1 . . 128 . A 51 ASN CB . 34115 1 462 . 1 1 51 51 ASN N N 15 116.738 0.055 . 1 . . 125 . A 51 ASN N . 34115 1 463 . 1 1 52 52 VAL H H 1 8.030 0.02 . 1 . . 2530 . A 52 VAL H . 34115 1 464 . 1 1 52 52 VAL HA H 1 4.364 0.005 . 1 . . 454 . A 52 VAL HA . 34115 1 465 . 1 1 52 52 VAL HB H 1 2.318 0.001 . 1 . . 453 . A 52 VAL HB . 34115 1 466 . 1 1 52 52 VAL HG11 H 1 1.089 0.003 . 2 . . 452 . A 52 VAL HG11 . 34115 1 467 . 1 1 52 52 VAL HG12 H 1 1.089 0.003 . 2 . . 452 . A 52 VAL HG12 . 34115 1 468 . 1 1 52 52 VAL HG13 H 1 1.089 0.003 . 2 . . 452 . A 52 VAL HG13 . 34115 1 469 . 1 1 52 52 VAL HG21 H 1 0.902 0.019 . 2 . . 1853 . A 52 VAL HG21 . 34115 1 470 . 1 1 52 52 VAL HG22 H 1 0.902 0.019 . 2 . . 1853 . A 52 VAL HG22 . 34115 1 471 . 1 1 52 52 VAL HG23 H 1 0.902 0.019 . 2 . . 1853 . A 52 VAL HG23 . 34115 1 472 . 1 1 52 52 VAL C C 13 178.300 0.3 . 1 . . 1953 . A 52 VAL C . 34115 1 473 . 1 1 52 52 VAL CA C 13 64.657 0.3 . 1 . . 349 . A 52 VAL CA . 34115 1 474 . 1 1 52 52 VAL CB C 13 31.459 0.3 . 1 . . 348 . A 52 VAL CB . 34115 1 475 . 1 1 52 52 VAL CG1 C 13 18.988 0.036 . 2 . . 469 . A 52 VAL CG1 . 34115 1 476 . 1 1 52 52 VAL CG2 C 13 18.524 0.3 . 2 . . 1856 . A 52 VAL CG2 . 34115 1 477 . 1 1 52 52 VAL N N 15 119.268 0.3 . 1 . . 2531 . A 52 VAL N . 34115 1 478 . 1 1 53 53 ARG H H 1 8.379 0.02 . 1 . . 2508 . A 53 ARG H . 34115 1 479 . 1 1 53 53 ARG HA H 1 4.520 0.02 . 1 . . 506 . A 53 ARG HA . 34115 1 480 . 1 1 53 53 ARG HB2 H 1 1.590 0.02 . 2 . . 1956 . A 53 ARG HB2 . 34115 1 481 . 1 1 53 53 ARG HB3 H 1 1.631 0.02 . 2 . . 1957 . A 53 ARG HB3 . 34115 1 482 . 1 1 53 53 ARG HG2 H 1 1.375 0.02 . 2 . . 505 . A 53 ARG HG2 . 34115 1 483 . 1 1 53 53 ARG HG3 H 1 1.388 0.02 . 2 . . 1958 . A 53 ARG HG3 . 34115 1 484 . 1 1 53 53 ARG HD2 H 1 3.191 0.02 . 2 . . 1959 . A 53 ARG HD2 . 34115 1 485 . 1 1 53 53 ARG HD3 H 1 3.256 0.02 . 2 . . 1960 . A 53 ARG HD3 . 34115 1 486 . 1 1 53 53 ARG C C 13 177.133 0.3 . 1 . . 406 . A 53 ARG C . 34115 1 487 . 1 1 53 53 ARG CA C 13 57.333 0.3 . 1 . . 405 . A 53 ARG CA . 34115 1 488 . 1 1 53 53 ARG CB C 13 29.641 0.3 . 1 . . 404 . A 53 ARG CB . 34115 1 489 . 1 1 53 53 ARG CG C 13 28.620 0.3 . 1 . . 1954 . A 53 ARG CG . 34115 1 490 . 1 1 53 53 ARG CD C 13 44.878 0.3 . 1 . . 1955 . A 53 ARG CD . 34115 1 491 . 1 1 53 53 ARG N N 15 116.095 0.3 . 1 . . 440 . A 53 ARG N . 34115 1 492 . 1 1 54 54 LEU H H 1 8.345 0.02 . 1 . . 2487 . A 54 LEU H . 34115 1 493 . 1 1 54 54 LEU HA H 1 4.466 0.02 . 1 . . 418 . A 54 LEU HA . 34115 1 494 . 1 1 54 54 LEU HB2 H 1 1.842 0.02 . 1 . . 416 . A 54 LEU HB2 . 34115 1 495 . 1 1 54 54 LEU HG H 1 1.715 0.02 . 1 . . 417 . A 54 LEU HG . 34115 1 496 . 1 1 54 54 LEU HD11 H 1 0.759 0.02 . 2 . . 1873 . A 54 LEU HD11 . 34115 1 497 . 1 1 54 54 LEU HD12 H 1 0.759 0.02 . 2 . . 1873 . A 54 LEU HD12 . 34115 1 498 . 1 1 54 54 LEU HD13 H 1 0.759 0.02 . 2 . . 1873 . A 54 LEU HD13 . 34115 1 499 . 1 1 54 54 LEU HD21 H 1 0.910 0.02 . 2 . . 1875 . A 54 LEU HD21 . 34115 1 500 . 1 1 54 54 LEU HD22 H 1 0.910 0.02 . 2 . . 1875 . A 54 LEU HD22 . 34115 1 501 . 1 1 54 54 LEU HD23 H 1 0.910 0.02 . 2 . . 1875 . A 54 LEU HD23 . 34115 1 502 . 1 1 54 54 LEU C C 13 177.967 0.3 . 1 . . 366 . A 54 LEU C . 34115 1 503 . 1 1 54 54 LEU CA C 13 57.885 0.3 . 1 . . 1961 . A 54 LEU CA . 34115 1 504 . 1 1 54 54 LEU CB C 13 41.873 0.3 . 1 . . 365 . A 54 LEU CB . 34115 1 505 . 1 1 54 54 LEU CD1 C 13 20.856 0.3 . 2 . . 1874 . A 54 LEU CD1 . 34115 1 506 . 1 1 54 54 LEU CD2 C 13 22.378 0.3 . 2 . . 1876 . A 54 LEU CD2 . 34115 1 507 . 1 1 54 54 LEU N N 15 120.773 0.3 . 1 . . 2488 . A 54 LEU N . 34115 1 508 . 1 1 55 55 GLY H H 1 8.431 0.02 . 1 . . 2536 . A 55 GLY H . 34115 1 509 . 1 1 55 55 GLY HA2 H 1 4.073 0.005 . 2 . . 419 . A 55 GLY HA2 . 34115 1 510 . 1 1 55 55 GLY HA3 H 1 4.113 0.02 . 2 . . 1968 . A 55 GLY HA3 . 34115 1 511 . 1 1 55 55 GLY C C 13 174.641 0.3 . 1 . . 94 . A 55 GLY C . 34115 1 512 . 1 1 55 55 GLY CA C 13 46.194 0.3 . 1 . . 1962 . A 55 GLY CA . 34115 1 513 . 1 1 55 55 GLY N N 15 107.601 0.011 . 1 . . 51 . A 55 GLY N . 34115 1 514 . 1 1 56 56 ASN H H 1 8.246 0.02 . 1 . . 2485 . A 56 ASN H . 34115 1 515 . 1 1 56 56 ASN HA H 1 4.525 0.02 . 1 . . 1969 . A 56 ASN HA . 34115 1 516 . 1 1 56 56 ASN HB2 H 1 3.049 0.02 . 2 . . 464 . A 56 ASN HB2 . 34115 1 517 . 1 1 56 56 ASN HB3 H 1 3.005 0.02 . 2 . . 1970 . A 56 ASN HB3 . 34115 1 518 . 1 1 56 56 ASN C C 13 176.366 0.3 . 1 . . 156 . A 56 ASN C . 34115 1 519 . 1 1 56 56 ASN CA C 13 54.323 0.3 . 1 . . 1963 . A 56 ASN CA . 34115 1 520 . 1 1 56 56 ASN CB C 13 38.394 0.3 . 1 . . 155 . A 56 ASN CB . 34115 1 521 . 1 1 56 56 ASN N N 15 116.514 0.3 . 1 . . 2486 . A 56 ASN N . 34115 1 522 . 1 1 57 57 LYS H H 1 7.935 0.02 . 1 . . 2507 . A 57 LYS H . 34115 1 523 . 1 1 57 57 LYS HA H 1 4.614 0.02 . 1 . . 1974 . A 57 LYS HA . 34115 1 524 . 1 1 57 57 LYS HB2 H 1 1.582 0.02 . 1 . . 1975 . A 57 LYS HB2 . 34115 1 525 . 1 1 57 57 LYS HG2 H 1 1.089 0.02 . 2 . . 1976 . A 57 LYS HG2 . 34115 1 526 . 1 1 57 57 LYS HG3 H 1 1.194 0.02 . 2 . . 1977 . A 57 LYS HG3 . 34115 1 527 . 1 1 57 57 LYS HD2 H 1 1.315 0.02 . 2 . . 1978 . A 57 LYS HD2 . 34115 1 528 . 1 1 57 57 LYS HD3 H 1 1.477 0.02 . 2 . . 1979 . A 57 LYS HD3 . 34115 1 529 . 1 1 57 57 LYS HE2 H 1 2.455 0.02 . 1 . . 1980 . A 57 LYS HE2 . 34115 1 530 . 1 1 57 57 LYS C C 13 177.048 0.3 . 1 . . 376 . A 57 LYS C . 34115 1 531 . 1 1 57 57 LYS CA C 13 57.420 0.3 . 1 . . 1964 . A 57 LYS CA . 34115 1 532 . 1 1 57 57 LYS CB C 13 31.659 0.3 . 1 . . 375 . A 57 LYS CB . 34115 1 533 . 1 1 57 57 LYS CG C 13 27.769 0.3 . 1 . . 1971 . A 57 LYS CG . 34115 1 534 . 1 1 57 57 LYS CD C 13 30.246 0.3 . 1 . . 1972 . A 57 LYS CD . 34115 1 535 . 1 1 57 57 LYS CE C 13 40.465 0.3 . 1 . . 1973 . A 57 LYS CE . 34115 1 536 . 1 1 57 57 LYS N N 15 118.524 0.3 . 1 . . 2506 . A 57 LYS N . 34115 1 537 . 1 1 58 58 TRP H H 1 8.000 0.009 . 1 . . 35 . A 58 TRP H . 34115 1 538 . 1 1 58 58 TRP HA H 1 4.336 0.02 . 1 . . 508 . A 58 TRP HA . 34115 1 539 . 1 1 58 58 TRP HB2 H 1 3.396 0.02 . 2 . . 509 . A 58 TRP HB2 . 34115 1 540 . 1 1 58 58 TRP HB3 H 1 3.450 0.02 . 2 . . 1984 . A 58 TRP HB3 . 34115 1 541 . 1 1 58 58 TRP HZ2 H 1 7.430 0.004 . 1 . . 507 . A 58 TRP HZ2 . 34115 1 542 . 1 1 58 58 TRP C C 13 175.545 0.3 . 1 . . 1983 . A 58 TRP C . 34115 1 543 . 1 1 58 58 TRP CA C 13 57.652 0.3 . 1 . . 1981 . A 58 TRP CA . 34115 1 544 . 1 1 58 58 TRP CB C 13 27.846 0.3 . 1 . . 1982 . A 58 TRP CB . 34115 1 545 . 1 1 58 58 TRP CH2 C 13 124.299 0.07 . 1 . . 549 . A 58 TRP CH2 . 34115 1 546 . 1 1 58 58 TRP N N 15 119.589 0.009 . 1 . . 36 . A 58 TRP N . 34115 1 547 . 1 1 59 59 LYS H H 1 7.849 0.009 . 1 . . 70 . A 59 LYS H . 34115 1 548 . 1 1 59 59 LYS HA H 1 4.263 0.02 . 1 . . 514 . A 59 LYS HA . 34115 1 549 . 1 1 59 59 LYS HB2 H 1 1.647 0.02 . 2 . . 1989 . A 59 LYS HB2 . 34115 1 550 . 1 1 59 59 LYS HB3 H 1 1.841 0.02 . 2 . . 1990 . A 59 LYS HB3 . 34115 1 551 . 1 1 59 59 LYS HG2 H 1 1.414 0.003 . 2 . . 511 . A 59 LYS HG2 . 34115 1 552 . 1 1 59 59 LYS HG3 H 1 1.469 0.02 . 2 . . 1991 . A 59 LYS HG3 . 34115 1 553 . 1 1 59 59 LYS HD2 H 1 1.656 0.02 . 1 . . 512 . A 59 LYS HD2 . 34115 1 554 . 1 1 59 59 LYS C C 13 177.611 0.3 . 1 . . 1988 . A 59 LYS C . 34115 1 555 . 1 1 59 59 LYS CA C 13 57.188 0.3 . 1 . . 1986 . A 59 LYS CA . 34115 1 556 . 1 1 59 59 LYS CB C 13 32.569 0.3 . 1 . . 1985 . A 59 LYS CB . 34115 1 557 . 1 1 59 59 LYS CG C 13 27.846 0.3 . 1 . . 1987 . A 59 LYS CG . 34115 1 558 . 1 1 59 59 LYS N N 15 120.292 0.018 . 1 . . 71 . A 59 LYS N . 34115 1 559 . 1 1 60 60 ALA H H 1 8.085 0.01 . 1 . . 516 . A 60 ALA H . 34115 1 560 . 1 1 60 60 ALA HA H 1 4.269 0.004 . 1 . . 515 . A 60 ALA HA . 34115 1 561 . 1 1 60 60 ALA HB1 H 1 1.336 0.02 . 1 . . 1835 . A 60 ALA HB1 . 34115 1 562 . 1 1 60 60 ALA HB2 H 1 1.336 0.02 . 1 . . 1835 . A 60 ALA HB2 . 34115 1 563 . 1 1 60 60 ALA HB3 H 1 1.336 0.02 . 1 . . 1835 . A 60 ALA HB3 . 34115 1 564 . 1 1 60 60 ALA C C 13 177.381 0.3 . 1 . . 1993 . A 60 ALA C . 34115 1 565 . 1 1 60 60 ALA CA C 13 52.775 0.3 . 1 . . 1992 . A 60 ALA CA . 34115 1 566 . 1 1 60 60 ALA CB C 13 16.552 0.3 . 1 . . 1836 . A 60 ALA CB . 34115 1 567 . 1 1 60 60 ALA N N 15 122.072 0.031 . 1 . . 73 . A 60 ALA N . 34115 1 568 . 1 1 61 61 GLN H H 1 8.299 0.02 . 1 . . 2447 . A 61 GLN H . 34115 1 569 . 1 1 61 61 GLN HA H 1 4.278 0.02 . 1 . . 653 . A 61 GLN HA . 34115 1 570 . 1 1 61 61 GLN HB2 H 1 2.103 0.001 . 2 . . 652 . A 61 GLN HB2 . 34115 1 571 . 1 1 61 61 GLN HB3 H 1 2.164 0.02 . 2 . . 1998 . A 61 GLN HB3 . 34115 1 572 . 1 1 61 61 GLN HG2 H 1 2.377 0.02 . 2 . . 651 . A 61 GLN HG2 . 34115 1 573 . 1 1 61 61 GLN HG3 H 1 2.374 0.02 . 2 . . 1997 . A 61 GLN HG3 . 34115 1 574 . 1 1 61 61 GLN C C 13 177.381 0.3 . 1 . . 1994 . A 61 GLN C . 34115 1 575 . 1 1 61 61 GLN CA C 13 56.414 0.3 . 1 . . 1995 . A 61 GLN CA . 34115 1 576 . 1 1 61 61 GLN CB C 13 30.014 0.3 . 1 . . 1996 . A 61 GLN CB . 34115 1 577 . 1 1 61 61 GLN CG C 13 34.194 0.3 . 1 . . 1999 . A 61 GLN CG . 34115 1 578 . 1 1 61 61 GLN N N 15 116.584 0.3 . 1 . . 431 . A 61 GLN N . 34115 1 579 . 1 1 62 62 TYR H H 1 7.952 0.015 . 1 . . 455 . A 62 TYR H . 34115 1 580 . 1 1 62 62 TYR HA H 1 4.566 0.02 . 1 . . 2002 . A 62 TYR HA . 34115 1 581 . 1 1 62 62 TYR HB2 H 1 3.031 0.003 . 2 . . 517 . A 62 TYR HB2 . 34115 1 582 . 1 1 62 62 TYR HB3 H 1 3.126 0.02 . 2 . . 2007 . A 62 TYR HB3 . 34115 1 583 . 1 1 62 62 TYR HD1 H 1 7.024 0.02 . 1 . . 521 . A 62 TYR HD1 . 34115 1 584 . 1 1 62 62 TYR HD2 H 1 7.024 0.02 . 1 . . 521 . A 62 TYR HD2 . 34115 1 585 . 1 1 62 62 TYR C C 13 175.775 0.3 . 1 . . 2005 . A 62 TYR C . 34115 1 586 . 1 1 62 62 TYR CA C 13 58.194 0.3 . 1 . . 2000 . A 62 TYR CA . 34115 1 587 . 1 1 62 62 TYR CB C 13 39.262 0.3 . 1 . . 2003 . A 62 TYR CB . 34115 1 588 . 1 1 62 62 TYR N N 15 118.543 0.026 . 1 . . 50 . A 62 TYR N . 34115 1 589 . 1 1 63 63 TYR H H 1 7.884 0.02 . 1 . . 2461 . A 63 TYR H . 34115 1 590 . 1 1 63 63 TYR HA H 1 4.508 0.002 . 1 . . 519 . A 63 TYR HA . 34115 1 591 . 1 1 63 63 TYR HB2 H 1 3.160 0.02 . 2 . . 518 . A 63 TYR HB2 . 34115 1 592 . 1 1 63 63 TYR HB3 H 1 2.924 0.02 . 2 . . 2008 . A 63 TYR HB3 . 34115 1 593 . 1 1 63 63 TYR HD1 H 1 7.092 0.0 . 1 . . 520 . A 63 TYR HD1 . 34115 1 594 . 1 1 63 63 TYR HD2 H 1 7.092 0.0 . 1 . . 520 . A 63 TYR HD2 . 34115 1 595 . 1 1 63 63 TYR C C 13 174.856 0.3 . 1 . . 2006 . A 63 TYR C . 34115 1 596 . 1 1 63 63 TYR CA C 13 58.454 0.3 . 1 . . 2001 . A 63 TYR CA . 34115 1 597 . 1 1 63 63 TYR CB C 13 39.262 0.3 . 1 . . 2004 . A 63 TYR CB . 34115 1 598 . 1 1 63 63 TYR N N 15 117.746 0.3 . 1 . . 2462 . A 63 TYR N . 34115 1 599 . 1 1 64 64 PHE H H 1 8.100 0.02 . 1 . . 2483 . A 64 PHE H . 34115 1 600 . 1 1 64 64 PHE HA H 1 4.347 0.02 . 1 . . 2012 . A 64 PHE HA . 34115 1 601 . 1 1 64 64 PHE HB2 H 1 3.179 0.02 . 1 . . 654 . A 64 PHE HB2 . 34115 1 602 . 1 1 64 64 PHE HD1 H 1 7.391 0.02 . 1 . . 655 . A 64 PHE HD1 . 34115 1 603 . 1 1 64 64 PHE HD2 H 1 7.391 0.02 . 1 . . 655 . A 64 PHE HD2 . 34115 1 604 . 1 1 64 64 PHE C C 13 177.840 0.3 . 1 . . 2011 . A 64 PHE C . 34115 1 605 . 1 1 64 64 PHE CA C 13 59.469 0.3 . 1 . . 2010 . A 64 PHE CA . 34115 1 606 . 1 1 64 64 PHE CB C 13 38.749 0.3 . 1 . . 2009 . A 64 PHE CB . 34115 1 607 . 1 1 64 64 PHE N N 15 118.317 0.3 . 1 . . 2484 . A 64 PHE N . 34115 1 608 . 1 1 65 65 ARG H H 1 8.781 0.001 . 1 . . 17 . A 65 ARG H . 34115 1 609 . 1 1 65 65 ARG HA H 1 4.113 0.02 . 1 . . 2013 . A 65 ARG HA . 34115 1 610 . 1 1 65 65 ARG HB2 H 1 1.906 0.02 . 2 . . 2014 . A 65 ARG HB2 . 34115 1 611 . 1 1 65 65 ARG HB3 H 1 1.970 0.02 . 2 . . 2015 . A 65 ARG HB3 . 34115 1 612 . 1 1 65 65 ARG HG2 H 1 1.736 0.02 . 2 . . 2016 . A 65 ARG HG2 . 34115 1 613 . 1 1 65 65 ARG HG3 H 1 1.817 0.02 . 2 . . 2017 . A 65 ARG HG3 . 34115 1 614 . 1 1 65 65 ARG HD2 H 1 3.207 0.02 . 2 . . 2018 . A 65 ARG HD2 . 34115 1 615 . 1 1 65 65 ARG HD3 H 1 3.240 0.02 . 2 . . 2019 . A 65 ARG HD3 . 34115 1 616 . 1 1 65 65 ARG C C 13 178.492 0.3 . 1 . . 168 . A 65 ARG C . 34115 1 617 . 1 1 65 65 ARG CA C 13 59.656 0.3 . 1 . . 167 . A 65 ARG CA . 34115 1 618 . 1 1 65 65 ARG CB C 13 28.252 0.3 . 1 . . 166 . A 65 ARG CB . 34115 1 619 . 1 1 65 65 ARG CG C 13 27.447 0.3 . 1 . . 2020 . A 65 ARG CG . 34115 1 620 . 1 1 65 65 ARG CD C 13 44.228 0.3 . 1 . . 2021 . A 65 ARG CD . 34115 1 621 . 1 1 65 65 ARG N N 15 118.922 0.044 . 1 . . 18 . A 65 ARG N . 34115 1 622 . 1 1 66 66 TRP H H 1 8.332 0.02 . 1 . . 2503 . A 66 TRP H . 34115 1 623 . 1 1 66 66 TRP HA H 1 4.420 0.02 . 1 . . 2027 . A 66 TRP HA . 34115 1 624 . 1 1 66 66 TRP HB2 H 1 3.474 0.02 . 2 . . 2028 . A 66 TRP HB2 . 34115 1 625 . 1 1 66 66 TRP HB3 H 1 3.830 0.02 . 2 . . 2029 . A 66 TRP HB3 . 34115 1 626 . 1 1 66 66 TRP C C 13 179.587 0.3 . 1 . . 2023 . A 66 TRP C . 34115 1 627 . 1 1 66 66 TRP CA C 13 59.732 0.3 . 1 . . 399 . A 66 TRP CA . 34115 1 628 . 1 1 66 66 TRP CB C 13 30.246 0.3 . 1 . . 398 . A 66 TRP CB . 34115 1 629 . 1 1 66 66 TRP CH2 C 13 123.357 0.051 . 1 . . 550 . A 66 TRP CH2 . 34115 1 630 . 1 1 66 66 TRP N N 15 118.463 0.3 . 1 . . 2504 . A 66 TRP N . 34115 1 631 . 1 1 67 67 ARG H H 1 7.874 0.013 . 1 . . 297 . A 67 ARG H . 34115 1 632 . 1 1 67 67 ARG HA H 1 4.000 0.02 . 1 . . 2032 . A 67 ARG HA . 34115 1 633 . 1 1 67 67 ARG HB2 H 1 2.237 0.02 . 2 . . 2033 . A 67 ARG HB2 . 34115 1 634 . 1 1 67 67 ARG HB3 H 1 2.302 0.02 . 2 . . 2034 . A 67 ARG HB3 . 34115 1 635 . 1 1 67 67 ARG HG2 H 1 1.841 0.02 . 2 . . 2035 . A 67 ARG HG2 . 34115 1 636 . 1 1 67 67 ARG HG3 H 1 1.906 0.02 . 2 . . 2036 . A 67 ARG HG3 . 34115 1 637 . 1 1 67 67 ARG HD2 H 1 3.482 0.02 . 2 . . 2037 . A 67 ARG HD2 . 34115 1 638 . 1 1 67 67 ARG HD3 H 1 3.486 0.02 . 2 . . 2038 . A 67 ARG HD3 . 34115 1 639 . 1 1 67 67 ARG C C 13 177.405 0.3 . 1 . . 2022 . A 67 ARG C . 34115 1 640 . 1 1 67 67 ARG CA C 13 58.673 0.3 . 1 . . 298 . A 67 ARG CA . 34115 1 641 . 1 1 67 67 ARG CB C 13 31.043 0.3 . 1 . . 2025 . A 67 ARG CB . 34115 1 642 . 1 1 67 67 ARG CG C 13 27.103 0.3 . 1 . . 2030 . A 67 ARG CG . 34115 1 643 . 1 1 67 67 ARG CD C 13 44.056 0.3 . 1 . . 2031 . A 67 ARG CD . 34115 1 644 . 1 1 67 67 ARG N N 15 119.574 0.3 . 1 . . 2538 . A 67 ARG N . 34115 1 645 . 1 1 68 68 VAL H H 1 7.997 0.002 . 1 . . 427 . A 68 VAL H . 34115 1 646 . 1 1 68 68 VAL HA H 1 4.606 0.02 . 1 . . 761 . A 68 VAL HA . 34115 1 647 . 1 1 68 68 VAL HB H 1 2.074 0.02 . 1 . . 762 . A 68 VAL HB . 34115 1 648 . 1 1 68 68 VAL HG11 H 1 0.945 0.02 . 2 . . 1857 . A 68 VAL HG11 . 34115 1 649 . 1 1 68 68 VAL HG12 H 1 0.945 0.02 . 2 . . 1857 . A 68 VAL HG12 . 34115 1 650 . 1 1 68 68 VAL HG13 H 1 0.945 0.02 . 2 . . 1857 . A 68 VAL HG13 . 34115 1 651 . 1 1 68 68 VAL HG21 H 1 0.858 0.02 . 2 . . 1859 . A 68 VAL HG21 . 34115 1 652 . 1 1 68 68 VAL HG22 H 1 0.858 0.02 . 2 . . 1859 . A 68 VAL HG22 . 34115 1 653 . 1 1 68 68 VAL HG23 H 1 0.858 0.02 . 2 . . 1859 . A 68 VAL HG23 . 34115 1 654 . 1 1 68 68 VAL C C 13 177.932 0.3 . 1 . . 2024 . A 68 VAL C . 34115 1 655 . 1 1 68 68 VAL CA C 13 64.633 0.3 . 1 . . 362 . A 68 VAL CA . 34115 1 656 . 1 1 68 68 VAL CB C 13 32.327 0.3 . 1 . . 2026 . A 68 VAL CB . 34115 1 657 . 1 1 68 68 VAL CG1 C 13 18.835 0.3 . 2 . . 1858 . A 68 VAL CG1 . 34115 1 658 . 1 1 68 68 VAL CG2 C 13 19.748 0.3 . 2 . . 1860 . A 68 VAL CG2 . 34115 1 659 . 1 1 68 68 VAL N N 15 118.033 0.002 . 1 . . 428 . A 68 VAL N . 34115 1 660 . 1 1 69 69 GLY H H 1 8.342 0.02 . 1 . . 2443 . A 69 GLY H . 34115 1 661 . 1 1 69 69 GLY HA2 H 1 3.904 0.02 . 2 . . 522 . A 69 GLY HA2 . 34115 1 662 . 1 1 69 69 GLY HA3 H 1 3.957 0.02 . 2 . . 2039 . A 69 GLY HA3 . 34115 1 663 . 1 1 69 69 GLY C C 13 174.734 0.3 . 1 . . 96 . A 69 GLY C . 34115 1 664 . 1 1 69 69 GLY CA C 13 46.789 0.3 . 1 . . 95 . A 69 GLY CA . 34115 1 665 . 1 1 69 69 GLY N N 15 108.015 0.3 . 1 . . 2444 . A 69 GLY N . 34115 1 666 . 1 1 70 70 LEU H H 1 8.169 0.02 . 1 . . 2479 . A 70 LEU H . 34115 1 667 . 1 1 70 70 LEU HA H 1 4.018 0.02 . 1 . . 2042 . A 70 LEU HA . 34115 1 668 . 1 1 70 70 LEU HB2 H 1 1.623 0.02 . 2 . . 2043 . A 70 LEU HB2 . 34115 1 669 . 1 1 70 70 LEU HB3 H 1 2.039 0.02 . 2 . . 2044 . A 70 LEU HB3 . 34115 1 670 . 1 1 70 70 LEU HG H 1 2.089 0.02 . 1 . . 2045 . A 70 LEU HG . 34115 1 671 . 1 1 70 70 LEU HD11 H 1 0.743 0.02 . 2 . . 1877 . A 70 LEU HD11 . 34115 1 672 . 1 1 70 70 LEU HD12 H 1 0.743 0.02 . 2 . . 1877 . A 70 LEU HD12 . 34115 1 673 . 1 1 70 70 LEU HD13 H 1 0.743 0.02 . 2 . . 1877 . A 70 LEU HD13 . 34115 1 674 . 1 1 70 70 LEU HD21 H 1 0.780 0.02 . 2 . . 1879 . A 70 LEU HD21 . 34115 1 675 . 1 1 70 70 LEU HD22 H 1 0.780 0.02 . 2 . . 1879 . A 70 LEU HD22 . 34115 1 676 . 1 1 70 70 LEU HD23 H 1 0.780 0.02 . 2 . . 1879 . A 70 LEU HD23 . 34115 1 677 . 1 1 70 70 LEU C C 13 178.985 0.3 . 1 . . 2040 . A 70 LEU C . 34115 1 678 . 1 1 70 70 LEU CA C 13 58.772 0.3 . 1 . . 402 . A 70 LEU CA . 34115 1 679 . 1 1 70 70 LEU CB C 13 40.388 0.3 . 1 . . 403 . A 70 LEU CB . 34115 1 680 . 1 1 70 70 LEU CG C 13 28.216 0.3 . 1 . . 2041 . A 70 LEU CG . 34115 1 681 . 1 1 70 70 LEU CD1 C 13 21.131 0.3 . 2 . . 1878 . A 70 LEU CD1 . 34115 1 682 . 1 1 70 70 LEU CD2 C 13 22.887 0.3 . 2 . . 1880 . A 70 LEU CD2 . 34115 1 683 . 1 1 70 70 LEU N N 15 121.985 0.3 . 1 . . 2480 . A 70 LEU N . 34115 1 684 . 1 1 71 71 GLN H H 1 8.303 0.02 . 1 . . 2481 . A 71 GLN H . 34115 1 685 . 1 1 71 71 GLN HB2 H 1 1.812 0.02 . 2 . . 554 . A 71 GLN HB2 . 34115 1 686 . 1 1 71 71 GLN HB3 H 1 1.852 0.02 . 2 . . 2047 . A 71 GLN HB3 . 34115 1 687 . 1 1 71 71 GLN HG2 H 1 2.229 0.02 . 2 . . 553 . A 71 GLN HG2 . 34115 1 688 . 1 1 71 71 GLN HG3 H 1 2.231 0.02 . 2 . . 2048 . A 71 GLN HG3 . 34115 1 689 . 1 1 71 71 GLN C C 13 177.981 0.3 . 1 . . 379 . A 71 GLN C . 34115 1 690 . 1 1 71 71 GLN CA C 13 58.982 0.3 . 1 . . 377 . A 71 GLN CA . 34115 1 691 . 1 1 71 71 GLN CB C 13 28.144 0.3 . 1 . . 378 . A 71 GLN CB . 34115 1 692 . 1 1 71 71 GLN CG C 13 34.124 0.3 . 1 . . 2046 . A 71 GLN CG . 34115 1 693 . 1 1 71 71 GLN N N 15 120.661 0.3 . 1 . . 2482 . A 71 GLN N . 34115 1 694 . 1 1 72 72 ALA H H 1 8.688 0.002 . 1 . . 450 . A 72 ALA H . 34115 1 695 . 1 1 72 72 ALA HA H 1 4.177 0.02 . 1 . . 552 . A 72 ALA HA . 34115 1 696 . 1 1 72 72 ALA HB1 H 1 1.356 0.02 . 1 . . 1837 . A 72 ALA HB1 . 34115 1 697 . 1 1 72 72 ALA HB2 H 1 1.356 0.02 . 1 . . 1837 . A 72 ALA HB2 . 34115 1 698 . 1 1 72 72 ALA HB3 H 1 1.356 0.02 . 1 . . 1837 . A 72 ALA HB3 . 34115 1 699 . 1 1 72 72 ALA C C 13 178.810 0.3 . 1 . . 247 . A 72 ALA C . 34115 1 700 . 1 1 72 72 ALA CA C 13 55.082 0.012 . 1 . . 246 . A 72 ALA CA . 34115 1 701 . 1 1 72 72 ALA CB C 13 16.839 0.3 . 1 . . 1838 . A 72 ALA CB . 34115 1 702 . 1 1 72 72 ALA N N 15 121.348 0.019 . 1 . . 451 . A 72 ALA N . 34115 1 703 . 1 1 73 73 ALA H H 1 8.511 0.013 . 1 . . 63 . A 73 ALA H . 34115 1 704 . 1 1 73 73 ALA HA H 1 4.052 0.02 . 1 . . 528 . A 73 ALA HA . 34115 1 705 . 1 1 73 73 ALA HB1 H 1 1.421 0.02 . 1 . . 1821 . A 73 ALA HB1 . 34115 1 706 . 1 1 73 73 ALA HB2 H 1 1.421 0.02 . 1 . . 1821 . A 73 ALA HB2 . 34115 1 707 . 1 1 73 73 ALA HB3 H 1 1.421 0.02 . 1 . . 1821 . A 73 ALA HB3 . 34115 1 708 . 1 1 73 73 ALA C C 13 179.071 0.3 . 1 . . 287 . A 73 ALA C . 34115 1 709 . 1 1 73 73 ALA CA C 13 55.084 0.009 . 1 . . 286 . A 73 ALA CA . 34115 1 710 . 1 1 73 73 ALA CB C 13 15.500 0.3 . 1 . . 1822 . A 73 ALA CB . 34115 1 711 . 1 1 73 73 ALA N N 15 118.192 0.034 . 1 . . 64 . A 73 ALA N . 34115 1 712 . 1 1 74 74 THR H H 1 8.006 0.004 . 1 . . 523 . A 74 THR H . 34115 1 713 . 1 1 74 74 THR HA H 1 4.441 0.004 . 1 . . 530 . A 74 THR HA . 34115 1 714 . 1 1 74 74 THR HB H 1 3.942 0.02 . 1 . . 531 . A 74 THR HB . 34115 1 715 . 1 1 74 74 THR HG21 H 1 1.160 0.02 . 1 . . 1847 . A 74 THR HG21 . 34115 1 716 . 1 1 74 74 THR HG22 H 1 1.160 0.02 . 1 . . 1847 . A 74 THR HG22 . 34115 1 717 . 1 1 74 74 THR HG23 H 1 1.160 0.02 . 1 . . 1847 . A 74 THR HG23 . 34115 1 718 . 1 1 74 74 THR C C 13 176.024 0.3 . 1 . . 81 . A 74 THR C . 34115 1 719 . 1 1 74 74 THR CA C 13 66.912 0.03 . 1 . . 79 . A 74 THR CA . 34115 1 720 . 1 1 74 74 THR CB C 13 67.984 0.001 . 1 . . 80 . A 74 THR CB . 34115 1 721 . 1 1 74 74 THR CG2 C 13 19.152 0.3 . 1 . . 1848 . A 74 THR CG2 . 34115 1 722 . 1 1 74 74 THR N N 15 112.770 0.019 . 1 . . 9 . A 74 THR N . 34115 1 723 . 1 1 75 75 LEU H H 1 7.914 0.02 . 1 . . 2468 . A 75 LEU H . 34115 1 724 . 1 1 75 75 LEU HA H 1 4.226 0.02 . 1 . . 527 . A 75 LEU HA . 34115 1 725 . 1 1 75 75 LEU HB2 H 1 1.906 0.004 . 2 . . 525 . A 75 LEU HB2 . 34115 1 726 . 1 1 75 75 LEU HB3 H 1 1.874 0.02 . 2 . . 2050 . A 75 LEU HB3 . 34115 1 727 . 1 1 75 75 LEU HG H 1 2.014 0.007 . 1 . . 526 . A 75 LEU HG . 34115 1 728 . 1 1 75 75 LEU HD11 H 1 0.836 0.02 . 2 . . 763 . A 75 LEU HD11 . 34115 1 729 . 1 1 75 75 LEU HD12 H 1 0.836 0.02 . 2 . . 763 . A 75 LEU HD12 . 34115 1 730 . 1 1 75 75 LEU HD13 H 1 0.836 0.02 . 2 . . 763 . A 75 LEU HD13 . 34115 1 731 . 1 1 75 75 LEU HD21 H 1 0.845 0.02 . 2 . . 1917 . A 75 LEU HD21 . 34115 1 732 . 1 1 75 75 LEU HD22 H 1 0.845 0.02 . 2 . . 1917 . A 75 LEU HD22 . 34115 1 733 . 1 1 75 75 LEU HD23 H 1 0.845 0.02 . 2 . . 1917 . A 75 LEU HD23 . 34115 1 734 . 1 1 75 75 LEU C C 13 178.693 0.3 . 1 . . 260 . A 75 LEU C . 34115 1 735 . 1 1 75 75 LEU CA C 13 58.185 0.008 . 1 . . 259 . A 75 LEU CA . 34115 1 736 . 1 1 75 75 LEU CB C 13 40.874 0.005 . 1 . . 258 . A 75 LEU CB . 34115 1 737 . 1 1 75 75 LEU CG C 13 26.076 0.3 . 1 . . 2049 . A 75 LEU CG . 34115 1 738 . 1 1 75 75 LEU CD1 C 13 21.905 0.3 . 2 . . 764 . A 75 LEU CD1 . 34115 1 739 . 1 1 75 75 LEU CD2 C 13 22.808 0.3 . 2 . . 1918 . A 75 LEU CD2 . 34115 1 740 . 1 1 75 75 LEU N N 15 121.189 0.3 . 1 . . 2469 . A 75 LEU N . 34115 1 741 . 1 1 76 76 VAL H H 1 8.260 0.015 . 1 . . 524 . A 76 VAL H . 34115 1 742 . 1 1 76 76 VAL HA H 1 4.590 0.02 . 1 . . 656 . A 76 VAL HA . 34115 1 743 . 1 1 76 76 VAL HB H 1 2.342 0.0 . 1 . . 532 . A 76 VAL HB . 34115 1 744 . 1 1 76 76 VAL HG11 H 1 0.838 0.02 . 2 . . 1865 . A 76 VAL HG11 . 34115 1 745 . 1 1 76 76 VAL HG12 H 1 0.838 0.02 . 2 . . 1865 . A 76 VAL HG12 . 34115 1 746 . 1 1 76 76 VAL HG13 H 1 0.838 0.02 . 2 . . 1865 . A 76 VAL HG13 . 34115 1 747 . 1 1 76 76 VAL HG21 H 1 1.019 0.02 . 2 . . 1867 . A 76 VAL HG21 . 34115 1 748 . 1 1 76 76 VAL HG22 H 1 1.019 0.02 . 2 . . 1867 . A 76 VAL HG22 . 34115 1 749 . 1 1 76 76 VAL HG23 H 1 1.019 0.02 . 2 . . 1867 . A 76 VAL HG23 . 34115 1 750 . 1 1 76 76 VAL C C 13 177.478 0.3 . 1 . . 143 . A 76 VAL C . 34115 1 751 . 1 1 76 76 VAL CA C 13 66.805 0.3 . 1 . . 142 . A 76 VAL CA . 34115 1 752 . 1 1 76 76 VAL CB C 13 30.404 0.3 . 1 . . 144 . A 76 VAL CB . 34115 1 753 . 1 1 76 76 VAL CG1 C 13 19.058 0.3 . 2 . . 1866 . A 76 VAL CG1 . 34115 1 754 . 1 1 76 76 VAL CG2 C 13 20.602 0.3 . 2 . . 1868 . A 76 VAL CG2 . 34115 1 755 . 1 1 76 76 VAL N N 15 117.351 0.046 . 1 . . 14 . A 76 VAL N . 34115 1 756 . 1 1 77 77 ALA H H 1 8.294 0.02 . 1 . . 2436 . A 77 ALA H . 34115 1 757 . 1 1 77 77 ALA HA H 1 4.481 0.02 . 1 . . 657 . A 77 ALA HA . 34115 1 758 . 1 1 77 77 ALA HB1 H 1 1.434 0.02 . 1 . . 1823 . A 77 ALA HB1 . 34115 1 759 . 1 1 77 77 ALA HB2 H 1 1.434 0.02 . 1 . . 1823 . A 77 ALA HB2 . 34115 1 760 . 1 1 77 77 ALA HB3 H 1 1.434 0.02 . 1 . . 1823 . A 77 ALA HB3 . 34115 1 761 . 1 1 77 77 ALA C C 13 179.858 0.3 . 1 . . 381 . A 77 ALA C . 34115 1 762 . 1 1 77 77 ALA CA C 13 55.262 0.3 . 1 . . 380 . A 77 ALA CA . 34115 1 763 . 1 1 77 77 ALA CB C 13 15.578 0.3 . 1 . . 1824 . A 77 ALA CB . 34115 1 764 . 1 1 77 77 ALA N N 15 121.707 0.3 . 1 . . 2435 . A 77 ALA N . 34115 1 765 . 1 1 78 78 LEU H H 1 8.336 0.007 . 1 . . 555 . A 78 LEU H . 34115 1 766 . 1 1 78 78 LEU HA H 1 3.842 0.02 . 1 . . 534 . A 78 LEU HA . 34115 1 767 . 1 1 78 78 LEU HB2 H 1 1.788 0.02 . 2 . . 658 . A 78 LEU HB2 . 34115 1 768 . 1 1 78 78 LEU HB3 H 1 1.714 0.02 . 2 . . 2053 . A 78 LEU HB3 . 34115 1 769 . 1 1 78 78 LEU HG H 1 1.542 0.02 . 1 . . 2052 . A 78 LEU HG . 34115 1 770 . 1 1 78 78 LEU HD11 H 1 0.792 0.02 . 2 . . 1913 . A 78 LEU HD11 . 34115 1 771 . 1 1 78 78 LEU HD12 H 1 0.792 0.02 . 2 . . 1913 . A 78 LEU HD12 . 34115 1 772 . 1 1 78 78 LEU HD13 H 1 0.792 0.02 . 2 . . 1913 . A 78 LEU HD13 . 34115 1 773 . 1 1 78 78 LEU HD21 H 1 0.810 0.02 . 2 . . 1915 . A 78 LEU HD21 . 34115 1 774 . 1 1 78 78 LEU HD22 H 1 0.810 0.02 . 2 . . 1915 . A 78 LEU HD22 . 34115 1 775 . 1 1 78 78 LEU HD23 H 1 0.810 0.02 . 2 . . 1915 . A 78 LEU HD23 . 34115 1 776 . 1 1 78 78 LEU C C 13 176.461 0.3 . 1 . . 472 . A 78 LEU C . 34115 1 777 . 1 1 78 78 LEU CA C 13 57.834 0.3 . 1 . . 471 . A 78 LEU CA . 34115 1 778 . 1 1 78 78 LEU CB C 13 41.358 0.3 . 1 . . 470 . A 78 LEU CB . 34115 1 779 . 1 1 78 78 LEU CG C 13 26.161 0.3 . 1 . . 2051 . A 78 LEU CG . 34115 1 780 . 1 1 78 78 LEU CD1 C 13 21.556 0.3 . 2 . . 1914 . A 78 LEU CD1 . 34115 1 781 . 1 1 78 78 LEU CD2 C 13 22.734 0.3 . 2 . . 1916 . A 78 LEU CD2 . 34115 1 782 . 1 1 78 78 LEU N N 15 120.404 0.02 . 1 . . 448 . A 78 LEU N . 34115 1 783 . 1 1 79 79 VAL H H 1 8.430 0.02 . 1 . . 2537 . A 79 VAL H . 34115 1 784 . 1 1 79 79 VAL HA H 1 4.254 0.02 . 1 . . 533 . A 79 VAL HA . 34115 1 785 . 1 1 79 79 VAL HB H 1 2.119 0.02 . 1 . . 535 . A 79 VAL HB . 34115 1 786 . 1 1 79 79 VAL HG11 H 1 0.921 0.02 . 2 . . 1869 . A 79 VAL HG11 . 34115 1 787 . 1 1 79 79 VAL HG12 H 1 0.921 0.02 . 2 . . 1869 . A 79 VAL HG12 . 34115 1 788 . 1 1 79 79 VAL HG13 H 1 0.921 0.02 . 2 . . 1869 . A 79 VAL HG13 . 34115 1 789 . 1 1 79 79 VAL HG21 H 1 1.038 0.02 . 2 . . 1871 . A 79 VAL HG21 . 34115 1 790 . 1 1 79 79 VAL HG22 H 1 1.038 0.02 . 2 . . 1871 . A 79 VAL HG22 . 34115 1 791 . 1 1 79 79 VAL HG23 H 1 1.038 0.02 . 2 . . 1871 . A 79 VAL HG23 . 34115 1 792 . 1 1 79 79 VAL C C 13 178.230 0.3 . 1 . . 176 . A 79 VAL C . 34115 1 793 . 1 1 79 79 VAL CA C 13 66.250 0.027 . 1 . . 175 . A 79 VAL CA . 34115 1 794 . 1 1 79 79 VAL CB C 13 30.960 0.016 . 1 . . 174 . A 79 VAL CB . 34115 1 795 . 1 1 79 79 VAL CG1 C 13 19.350 0.3 . 2 . . 1870 . A 79 VAL CG1 . 34115 1 796 . 1 1 79 79 VAL CG2 C 13 20.371 0.3 . 2 . . 1872 . A 79 VAL CG2 . 34115 1 797 . 1 1 79 79 VAL N N 15 119.248 0.3 . 1 . . 444 . A 79 VAL N . 34115 1 798 . 1 1 80 80 ALA H H 1 9.001 0.005 . 1 . . 449 . A 80 ALA H . 34115 1 799 . 1 1 80 80 ALA HA H 1 4.262 0.002 . 1 . . 556 . A 80 ALA HA . 34115 1 800 . 1 1 80 80 ALA HB1 H 1 1.416 0.02 . 1 . . 1829 . A 80 ALA HB1 . 34115 1 801 . 1 1 80 80 ALA HB2 H 1 1.416 0.02 . 1 . . 1829 . A 80 ALA HB2 . 34115 1 802 . 1 1 80 80 ALA HB3 H 1 1.416 0.02 . 1 . . 1829 . A 80 ALA HB3 . 34115 1 803 . 1 1 80 80 ALA C C 13 179.914 0.3 . 1 . . 245 . A 80 ALA C . 34115 1 804 . 1 1 80 80 ALA CA C 13 55.127 0.013 . 1 . . 244 . A 80 ALA CA . 34115 1 805 . 1 1 80 80 ALA CB C 13 15.824 0.3 . 1 . . 1830 . A 80 ALA CB . 34115 1 806 . 1 1 80 80 ALA N N 15 121.523 0.3 . 1 . . 2514 . A 80 ALA N . 34115 1 807 . 1 1 81 81 GLY H H 1 8.889 0.015 . 1 . . 1 . A 81 GLY H . 34115 1 808 . 1 1 81 81 GLY HA2 H 1 3.954 0.0 . 2 . . 537 . A 81 GLY HA2 . 34115 1 809 . 1 1 81 81 GLY HA3 H 1 4.005 0.02 . 2 . . 2054 . A 81 GLY HA3 . 34115 1 810 . 1 1 81 81 GLY C C 13 175.380 0.3 . 1 . . 85 . A 81 GLY C . 34115 1 811 . 1 1 81 81 GLY CA C 13 47.147 0.009 . 1 . . 84 . A 81 GLY CA . 34115 1 812 . 1 1 81 81 GLY N N 15 104.354 0.039 . 1 . . 2 . A 81 GLY N . 34115 1 813 . 1 1 82 82 SER H H 1 8.189 0.016 . 1 . . 536 . A 82 SER H . 34115 1 814 . 1 1 82 82 SER HA H 1 4.414 0.02 . 1 . . 557 . A 82 SER HA . 34115 1 815 . 1 1 82 82 SER HB2 H 1 4.007 0.02 . 2 . . 558 . A 82 SER HB2 . 34115 1 816 . 1 1 82 82 SER HB3 H 1 3.971 0.02 . 2 . . 2055 . A 82 SER HB3 . 34115 1 817 . 1 1 82 82 SER HG H 1 4.268 0.02 . 1 . . 559 . A 82 SER HG . 34115 1 818 . 1 1 82 82 SER C C 13 176.030 0.3 . 1 . . 124 . A 82 SER C . 34115 1 819 . 1 1 82 82 SER CA C 13 61.796 0.036 . 1 . . 122 . A 82 SER CA . 34115 1 820 . 1 1 82 82 SER CB C 13 62.705 0.01 . 1 . . 123 . A 82 SER CB . 34115 1 821 . 1 1 82 82 SER N N 15 116.803 0.047 . 1 . . 34 . A 82 SER N . 34115 1 822 . 1 1 83 83 PHE H H 1 8.091 0.02 . 1 . . 2505 . A 83 PHE H . 34115 1 823 . 1 1 83 83 PHE HA H 1 4.587 0.004 . 1 . . 560 . A 83 PHE HA . 34115 1 824 . 1 1 83 83 PHE HB2 H 1 3.328 0.005 . 2 . . 561 . A 83 PHE HB2 . 34115 1 825 . 1 1 83 83 PHE HB3 H 1 3.278 0.02 . 2 . . 2056 . A 83 PHE HB3 . 34115 1 826 . 1 1 83 83 PHE HD1 H 1 7.323 0.02 . 1 . . 2057 . A 83 PHE HD1 . 34115 1 827 . 1 1 83 83 PHE HD2 H 1 7.323 0.02 . 1 . . 2057 . A 83 PHE HD2 . 34115 1 828 . 1 1 83 83 PHE HE1 H 1 7.469 0.02 . 1 . . 2058 . A 83 PHE HE1 . 34115 1 829 . 1 1 83 83 PHE HE2 H 1 7.469 0.02 . 1 . . 2058 . A 83 PHE HE2 . 34115 1 830 . 1 1 83 83 PHE HZ H 1 7.187 0.02 . 1 . . 2153 . A 83 PHE HZ . 34115 1 831 . 1 1 83 83 PHE C C 13 177.124 0.3 . 1 . . 211 . A 83 PHE C . 34115 1 832 . 1 1 83 83 PHE CA C 13 60.345 0.032 . 1 . . 210 . A 83 PHE CA . 34115 1 833 . 1 1 83 83 PHE CB C 13 39.260 0.003 . 1 . . 209 . A 83 PHE CB . 34115 1 834 . 1 1 83 83 PHE N N 15 119.787 0.3 . 1 . . 447 . A 83 PHE N . 34115 1 835 . 1 1 84 84 ILE H H 1 8.228 0.008 . 1 . . 52 . A 84 ILE H . 34115 1 836 . 1 1 84 84 ILE HA H 1 3.727 0.02 . 1 . . 2061 . A 84 ILE HA . 34115 1 837 . 1 1 84 84 ILE HB H 1 2.094 0.02 . 1 . . 564 . A 84 ILE HB . 34115 1 838 . 1 1 84 84 ILE HG12 H 1 1.503 0.02 . 2 . . 2063 . A 84 ILE HG12 . 34115 1 839 . 1 1 84 84 ILE HG13 H 1 1.357 0.02 . 2 . . 2064 . A 84 ILE HG13 . 34115 1 840 . 1 1 84 84 ILE HG21 H 1 0.835 0.02 . 1 . . 1815 . A 84 ILE HG21 . 34115 1 841 . 1 1 84 84 ILE HG22 H 1 0.835 0.02 . 1 . . 1815 . A 84 ILE HG22 . 34115 1 842 . 1 1 84 84 ILE HG23 H 1 0.835 0.02 . 1 . . 1815 . A 84 ILE HG23 . 34115 1 843 . 1 1 84 84 ILE HD11 H 1 0.752 0.02 . 1 . . 1809 . A 84 ILE HD11 . 34115 1 844 . 1 1 84 84 ILE HD12 H 1 0.752 0.02 . 1 . . 1809 . A 84 ILE HD12 . 34115 1 845 . 1 1 84 84 ILE HD13 H 1 0.752 0.02 . 1 . . 1809 . A 84 ILE HD13 . 34115 1 846 . 1 1 84 84 ILE C C 13 177.180 0.3 . 1 . . 2059 . A 84 ILE C . 34115 1 847 . 1 1 84 84 ILE CA C 13 64.433 0.3 . 1 . . 2060 . A 84 ILE CA . 34115 1 848 . 1 1 84 84 ILE CB C 13 37.816 0.3 . 1 . . 145 . A 84 ILE CB . 34115 1 849 . 1 1 84 84 ILE CG1 C 13 30.956 0.3 . 1 . . 2062 . A 84 ILE CG1 . 34115 1 850 . 1 1 84 84 ILE CG2 C 13 15.070 0.3 . 1 . . 1816 . A 84 ILE CG2 . 34115 1 851 . 1 1 84 84 ILE CD1 C 13 11.182 0.3 . 1 . . 1810 . A 84 ILE CD1 . 34115 1 852 . 1 1 84 84 ILE N N 15 117.568 0.035 . 1 . . 53 . A 84 ILE N . 34115 1 853 . 1 1 85 85 TYR H H 1 8.319 0.005 . 1 . . 430 . A 85 TYR H . 34115 1 854 . 1 1 85 85 TYR HA H 1 4.251 0.02 . 1 . . 562 . A 85 TYR HA . 34115 1 855 . 1 1 85 85 TYR HB2 H 1 3.110 0.02 . 2 . . 563 . A 85 TYR HB2 . 34115 1 856 . 1 1 85 85 TYR HB3 H 1 3.229 0.02 . 2 . . 2065 . A 85 TYR HB3 . 34115 1 857 . 1 1 85 85 TYR HD1 H 1 7.098 0.02 . 1 . . 2067 . A 85 TYR HD1 . 34115 1 858 . 1 1 85 85 TYR HD2 H 1 7.098 0.02 . 1 . . 2067 . A 85 TYR HD2 . 34115 1 859 . 1 1 85 85 TYR HE1 H 1 6.864 0.02 . 1 . . 2066 . A 85 TYR HE1 . 34115 1 860 . 1 1 85 85 TYR HE2 H 1 6.864 0.02 . 1 . . 2066 . A 85 TYR HE2 . 34115 1 861 . 1 1 85 85 TYR C C 13 176.984 0.3 . 1 . . 141 . A 85 TYR C . 34115 1 862 . 1 1 85 85 TYR CA C 13 59.375 0.007 . 1 . . 139 . A 85 TYR CA . 34115 1 863 . 1 1 85 85 TYR CB C 13 38.419 0.016 . 1 . . 140 . A 85 TYR CB . 34115 1 864 . 1 1 85 85 TYR N N 15 117.515 0.3 . 1 . . 2515 . A 85 TYR N . 34115 1 865 . 1 1 86 86 GLY H H 1 8.011 0.02 . 1 . . 2526 . A 86 GLY H . 34115 1 866 . 1 1 86 86 GLY HA2 H 1 4.141 0.009 . 2 . . 420 . A 86 GLY HA2 . 34115 1 867 . 1 1 86 86 GLY HA3 H 1 4.215 0.02 . 2 . . 2068 . A 86 GLY HA3 . 34115 1 868 . 1 1 86 86 GLY C C 13 174.462 0.3 . 1 . . 89 . A 86 GLY C . 34115 1 869 . 1 1 86 86 GLY CA C 13 45.689 0.003 . 1 . . 88 . A 86 GLY CA . 34115 1 870 . 1 1 86 86 GLY N N 15 107.292 0.3 . 1 . . 2527 . A 86 GLY N . 34115 1 871 . 1 1 87 87 THR H H 1 7.983 0.002 . 1 . . 423 . A 87 THR H . 34115 1 872 . 1 1 87 87 THR HA H 1 4.328 0.02 . 1 . . 459 . A 87 THR HA . 34115 1 873 . 1 1 87 87 THR HB H 1 4.155 0.02 . 1 . . 659 . A 87 THR HB . 34115 1 874 . 1 1 87 87 THR HG21 H 1 1.128 0.02 . 1 . . 1849 . A 87 THR HG21 . 34115 1 875 . 1 1 87 87 THR HG22 H 1 1.128 0.02 . 1 . . 1849 . A 87 THR HG22 . 34115 1 876 . 1 1 87 87 THR HG23 H 1 1.128 0.02 . 1 . . 1849 . A 87 THR HG23 . 34115 1 877 . 1 1 87 87 THR C C 13 174.752 0.3 . 1 . . 78 . A 87 THR C . 34115 1 878 . 1 1 87 87 THR CA C 13 61.905 0.027 . 1 . . 76 . A 87 THR CA . 34115 1 879 . 1 1 87 87 THR CB C 13 69.419 0.007 . 1 . . 77 . A 87 THR CB . 34115 1 880 . 1 1 87 87 THR CG2 C 13 19.200 0.3 . 1 . . 1850 . A 87 THR CG2 . 34115 1 881 . 1 1 87 87 THR N N 15 112.504 0.3 . 1 . . 2516 . A 87 THR N . 34115 1 882 . 1 1 88 88 SER H H 1 8.385 0.008 . 1 . . 5 . A 88 SER H . 34115 1 883 . 1 1 88 88 SER HA H 1 4.554 0.003 . 1 . . 565 . A 88 SER HA . 34115 1 884 . 1 1 88 88 SER HB2 H 1 4.083 0.02 . 2 . . 566 . A 88 SER HB2 . 34115 1 885 . 1 1 88 88 SER HB3 H 1 4.109 0.02 . 2 . . 2069 . A 88 SER HB3 . 34115 1 886 . 1 1 88 88 SER HG H 1 4.332 0.006 . 1 . . 567 . A 88 SER HG . 34115 1 887 . 1 1 88 88 SER C C 13 175.416 0.3 . 1 . . 138 . A 88 SER C . 34115 1 888 . 1 1 88 88 SER CA C 13 58.499 0.004 . 1 . . 136 . A 88 SER CA . 34115 1 889 . 1 1 88 88 SER CB C 13 63.898 0.003 . 1 . . 137 . A 88 SER CB . 34115 1 890 . 1 1 88 88 SER N N 15 117.530 0.016 . 1 . . 6 . A 88 SER N . 34115 1 891 . 1 1 89 89 GLY H H 1 8.828 0.02 . 1 . . 2529 . A 89 GLY H . 34115 1 892 . 1 1 89 89 GLY HA2 H 1 4.035 0.01 . 2 . . 660 . A 89 GLY HA2 . 34115 1 893 . 1 1 89 89 GLY HA3 H 1 4.065 0.02 . 2 . . 2070 . A 89 GLY HA3 . 34115 1 894 . 1 1 89 89 GLY C C 13 175.229 0.3 . 1 . . 98 . A 89 GLY C . 34115 1 895 . 1 1 89 89 GLY CA C 13 46.220 0.007 . 1 . . 97 . A 89 GLY CA . 34115 1 896 . 1 1 89 89 GLY N N 15 110.559 0.3 . 1 . . 2528 . A 89 GLY N . 34115 1 897 . 1 1 90 90 LYS H H 1 8.407 0.02 . 1 . . 2532 . A 90 LYS H . 34115 1 898 . 1 1 90 90 LYS HA H 1 4.270 0.002 . 1 . . 661 . A 90 LYS HA . 34115 1 899 . 1 1 90 90 LYS HB2 H 1 2.005 0.003 . 2 . . 663 . A 90 LYS HB2 . 34115 1 900 . 1 1 90 90 LYS HB3 H 1 2.103 0.02 . 2 . . 2077 . A 90 LYS HB3 . 34115 1 901 . 1 1 90 90 LYS HG2 H 1 1.657 0.02 . 2 . . 665 . A 90 LYS HG2 . 34115 1 902 . 1 1 90 90 LYS HG3 H 1 1.636 0.02 . 2 . . 2076 . A 90 LYS HG3 . 34115 1 903 . 1 1 90 90 LYS HD2 H 1 1.798 0.02 . 2 . . 664 . A 90 LYS HD2 . 34115 1 904 . 1 1 90 90 LYS HD3 H 1 1.836 0.02 . 2 . . 2079 . A 90 LYS HD3 . 34115 1 905 . 1 1 90 90 LYS HE2 H 1 2.870 0.02 . 2 . . 662 . A 90 LYS HE2 . 34115 1 906 . 1 1 90 90 LYS HE3 H 1 2.921 0.02 . 2 . . 2078 . A 90 LYS HE3 . 34115 1 907 . 1 1 90 90 LYS C C 13 178.206 0.3 . 1 . . 285 . A 90 LYS C . 34115 1 908 . 1 1 90 90 LYS CA C 13 58.062 0.013 . 1 . . 283 . A 90 LYS CA . 34115 1 909 . 1 1 90 90 LYS CB C 13 31.913 0.009 . 1 . . 284 . A 90 LYS CB . 34115 1 910 . 1 1 90 90 LYS CG C 13 25.476 0.3 . 1 . . 2071 . A 90 LYS CG . 34115 1 911 . 1 1 90 90 LYS CD C 13 29.672 0.3 . 1 . . 2072 . A 90 LYS CD . 34115 1 912 . 1 1 90 90 LYS CE C 13 42.514 0.3 . 1 . . 2073 . A 90 LYS CE . 34115 1 913 . 1 1 90 90 LYS N N 15 118.650 0.3 . 1 . . 2533 . A 90 LYS N . 34115 1 914 . 1 1 91 91 GLU H H 1 8.397 0.004 . 1 . . 37 . A 91 GLU H . 34115 1 915 . 1 1 91 91 GLU HA H 1 4.388 0.02 . 1 . . 666 . A 91 GLU HA . 34115 1 916 . 1 1 91 91 GLU HB2 H 1 2.248 0.009 . 2 . . 667 . A 91 GLU HB2 . 34115 1 917 . 1 1 91 91 GLU HB3 H 1 2.123 0.02 . 2 . . 2074 . A 91 GLU HB3 . 34115 1 918 . 1 1 91 91 GLU HG2 H 1 1.636 0.02 . 2 . . 2075 . A 91 GLU HG2 . 34115 1 919 . 1 1 91 91 GLU HG3 H 1 2.515 0.02 . 2 . . 2081 . A 91 GLU HG3 . 34115 1 920 . 1 1 91 91 GLU C C 13 178.098 0.3 . 1 . . 322 . A 91 GLU C . 34115 1 921 . 1 1 91 91 GLU CA C 13 57.791 0.039 . 1 . . 323 . A 91 GLU CA . 34115 1 922 . 1 1 91 91 GLU CB C 13 28.832 0.013 . 1 . . 324 . A 91 GLU CB . 34115 1 923 . 1 1 91 91 GLU CG C 13 36.864 0.3 . 1 . . 2080 . A 91 GLU CG . 34115 1 924 . 1 1 91 91 GLU N N 15 120.082 0.053 . 1 . . 38 . A 91 GLU N . 34115 1 925 . 1 1 92 92 LEU H H 1 8.190 0.013 . 1 . . 22 . A 92 LEU H . 34115 1 926 . 1 1 92 92 LEU HA H 1 4.266 0.004 . 1 . . 669 . A 92 LEU HA . 34115 1 927 . 1 1 92 92 LEU HB2 H 1 1.443 0.02 . 2 . . 569 . A 92 LEU HB2 . 34115 1 928 . 1 1 92 92 LEU HB3 H 1 1.552 0.02 . 2 . . 2083 . A 92 LEU HB3 . 34115 1 929 . 1 1 92 92 LEU HG H 1 1.858 0.02 . 1 . . 2084 . A 92 LEU HG . 34115 1 930 . 1 1 92 92 LEU HD11 H 1 0.820 0.02 . 2 . . 1889 . A 92 LEU HD11 . 34115 1 931 . 1 1 92 92 LEU HD12 H 1 0.820 0.02 . 2 . . 1889 . A 92 LEU HD12 . 34115 1 932 . 1 1 92 92 LEU HD13 H 1 0.820 0.02 . 2 . . 1889 . A 92 LEU HD13 . 34115 1 933 . 1 1 92 92 LEU HD21 H 1 0.783 0.02 . 2 . . 1891 . A 92 LEU HD21 . 34115 1 934 . 1 1 92 92 LEU HD22 H 1 0.783 0.02 . 2 . . 1891 . A 92 LEU HD22 . 34115 1 935 . 1 1 92 92 LEU HD23 H 1 0.783 0.02 . 2 . . 1891 . A 92 LEU HD23 . 34115 1 936 . 1 1 92 92 LEU C C 13 178.314 0.3 . 1 . . 255 . A 92 LEU C . 34115 1 937 . 1 1 92 92 LEU CA C 13 56.901 0.011 . 1 . . 256 . A 92 LEU CA . 34115 1 938 . 1 1 92 92 LEU CB C 13 41.058 0.007 . 1 . . 257 . A 92 LEU CB . 34115 1 939 . 1 1 92 92 LEU CG C 13 28.045 0.3 . 1 . . 2082 . A 92 LEU CG . 34115 1 940 . 1 1 92 92 LEU CD1 C 13 20.996 0.3 . 2 . . 1890 . A 92 LEU CD1 . 34115 1 941 . 1 1 92 92 LEU CD2 C 13 22.568 0.3 . 2 . . 1892 . A 92 LEU CD2 . 34115 1 942 . 1 1 92 92 LEU N N 15 121.267 0.066 . 1 . . 23 . A 92 LEU N . 34115 1 943 . 1 1 93 93 LYS HA H 1 4.232 0.02 . 1 . . 572 . A 93 LYS HA . 34115 1 944 . 1 1 93 93 LYS HB2 H 1 1.580 0.02 . 2 . . 2088 . A 93 LYS HB2 . 34115 1 945 . 1 1 93 93 LYS HB3 H 1 1.680 0.02 . 2 . . 2089 . A 93 LYS HB3 . 34115 1 946 . 1 1 93 93 LYS HG2 H 1 1.252 0.02 . 2 . . 2090 . A 93 LYS HG2 . 34115 1 947 . 1 1 93 93 LYS HG3 H 1 1.358 0.02 . 2 . . 2091 . A 93 LYS HG3 . 34115 1 948 . 1 1 93 93 LYS HE2 H 1 3.004 0.02 . 2 . . 670 . A 93 LYS HE2 . 34115 1 949 . 1 1 93 93 LYS HE3 H 1 2.999 0.02 . 2 . . 2092 . A 93 LYS HE3 . 34115 1 950 . 1 1 93 93 LYS HZ1 H 1 7.738 0.02 . 1 . . 671 . A 93 LYS HZ1 . 34115 1 951 . 1 1 93 93 LYS HZ2 H 1 7.738 0.02 . 1 . . 671 . A 93 LYS HZ2 . 34115 1 952 . 1 1 93 93 LYS HZ3 H 1 7.738 0.02 . 1 . . 671 . A 93 LYS HZ3 . 34115 1 953 . 1 1 93 93 LYS C C 13 178.031 0.3 . 1 . . 218 . A 93 LYS C . 34115 1 954 . 1 1 93 93 LYS CA C 13 58.053 0.003 . 1 . . 217 . A 93 LYS CA . 34115 1 955 . 1 1 93 93 LYS CB C 13 31.547 0.032 . 1 . . 216 . A 93 LYS CB . 34115 1 956 . 1 1 93 93 LYS CG C 13 26.932 0.3 . 1 . . 2085 . A 93 LYS CG . 34115 1 957 . 1 1 93 93 LYS CD C 13 31.127 0.3 . 1 . . 2086 . A 93 LYS CD . 34115 1 958 . 1 1 93 93 LYS CE C 13 41.573 0.3 . 1 . . 2087 . A 93 LYS CE . 34115 1 959 . 1 1 93 93 LYS N N 15 119.600 0.012 . 1 . . 215 . A 93 LYS N . 34115 1 960 . 1 1 94 94 ALA H H 1 8.278 0.02 . 1 . . 2429 . A 94 ALA H . 34115 1 961 . 1 1 94 94 ALA HA H 1 4.397 0.02 . 1 . . 668 . A 94 ALA HA . 34115 1 962 . 1 1 94 94 ALA HB1 H 1 1.471 0.02 . 1 . . 1827 . A 94 ALA HB1 . 34115 1 963 . 1 1 94 94 ALA HB2 H 1 1.471 0.02 . 1 . . 1827 . A 94 ALA HB2 . 34115 1 964 . 1 1 94 94 ALA HB3 H 1 1.471 0.02 . 1 . . 1827 . A 94 ALA HB3 . 34115 1 965 . 1 1 94 94 ALA C C 13 180.056 0.3 . 1 . . 184 . A 94 ALA C . 34115 1 966 . 1 1 94 94 ALA CA C 13 53.952 0.024 . 1 . . 183 . A 94 ALA CA . 34115 1 967 . 1 1 94 94 ALA CB C 13 15.811 0.3 . 1 . . 1828 . A 94 ALA CB . 34115 1 968 . 1 1 94 94 ALA N N 15 122.337 0.3 . 1 . . 2430 . A 94 ALA N . 34115 1 969 . 1 1 95 95 LYS H H 1 8.045 0.02 . 1 . . 613 . A 95 LYS H . 34115 1 970 . 1 1 95 95 LYS HA H 1 4.239 0.02 . 1 . . 576 . A 95 LYS HA . 34115 1 971 . 1 1 95 95 LYS HB2 H 1 1.736 0.02 . 2 . . 2096 . A 95 LYS HB2 . 34115 1 972 . 1 1 95 95 LYS HB3 H 1 1.842 0.02 . 2 . . 2097 . A 95 LYS HB3 . 34115 1 973 . 1 1 95 95 LYS HG2 H 1 1.374 0.02 . 2 . . 2098 . A 95 LYS HG2 . 34115 1 974 . 1 1 95 95 LYS HG3 H 1 1.308 0.02 . 2 . . 2099 . A 95 LYS HG3 . 34115 1 975 . 1 1 95 95 LYS HD2 H 1 1.602 0.02 . 2 . . 2100 . A 95 LYS HD2 . 34115 1 976 . 1 1 95 95 LYS HD3 H 1 1.691 0.02 . 2 . . 2101 . A 95 LYS HD3 . 34115 1 977 . 1 1 95 95 LYS HE2 H 1 3.110 0.02 . 2 . . 2102 . A 95 LYS HE2 . 34115 1 978 . 1 1 95 95 LYS HE3 H 1 3.194 0.02 . 2 . . 2103 . A 95 LYS HE3 . 34115 1 979 . 1 1 95 95 LYS C C 13 178.349 0.3 . 1 . . 165 . A 95 LYS C . 34115 1 980 . 1 1 95 95 LYS CA C 13 57.566 0.018 . 1 . . 164 . A 95 LYS CA . 34115 1 981 . 1 1 95 95 LYS CB C 13 31.491 0.004 . 1 . . 163 . A 95 LYS CB . 34115 1 982 . 1 1 95 95 LYS CG C 13 24.449 0.3 . 1 . . 2093 . A 95 LYS CG . 34115 1 983 . 1 1 95 95 LYS CD C 13 31.641 0.3 . 1 . . 2094 . A 95 LYS CD . 34115 1 984 . 1 1 95 95 LYS CE C 13 41.744 0.3 . 1 . . 2095 . A 95 LYS CE . 34115 1 985 . 1 1 95 95 LYS N N 15 118.261 0.3 . 1 . . 614 . A 95 LYS N . 34115 1 986 . 1 1 96 96 GLU H H 1 8.526 0.026 . 1 . . 574 . A 96 GLU H . 34115 1 987 . 1 1 96 96 GLU HA H 1 4.051 0.02 . 1 . . 575 . A 96 GLU HA . 34115 1 988 . 1 1 96 96 GLU HB2 H 1 2.039 0.02 . 2 . . 578 . A 96 GLU HB2 . 34115 1 989 . 1 1 96 96 GLU HB3 H 1 2.064 0.02 . 2 . . 2105 . A 96 GLU HB3 . 34115 1 990 . 1 1 96 96 GLU HG2 H 1 2.343 0.02 . 2 . . 577 . A 96 GLU HG2 . 34115 1 991 . 1 1 96 96 GLU HG3 H 1 2.459 0.02 . 2 . . 2106 . A 96 GLU HG3 . 34115 1 992 . 1 1 96 96 GLU C C 13 177.925 0.3 . 1 . . 328 . A 96 GLU C . 34115 1 993 . 1 1 96 96 GLU CA C 13 59.031 0.005 . 1 . . 329 . A 96 GLU CA . 34115 1 994 . 1 1 96 96 GLU CB C 13 28.046 0.021 . 1 . . 330 . A 96 GLU CB . 34115 1 995 . 1 1 96 96 GLU CG C 13 37.035 0.3 . 1 . . 2104 . A 96 GLU CG . 34115 1 996 . 1 1 96 96 GLU N N 15 120.023 0.058 . 1 . . 48 . A 96 GLU N . 34115 1 997 . 1 1 97 97 GLU H H 1 8.373 0.014 . 1 . . 573 . A 97 GLU H . 34115 1 998 . 1 1 97 97 GLU HA H 1 4.221 0.02 . 1 . . 579 . A 97 GLU HA . 34115 1 999 . 1 1 97 97 GLU HB2 H 1 2.249 0.02 . 2 . . 582 . A 97 GLU HB2 . 34115 1 1000 . 1 1 97 97 GLU HB3 H 1 2.348 0.02 . 2 . . 2108 . A 97 GLU HB3 . 34115 1 1001 . 1 1 97 97 GLU HG2 H 1 2.516 0.02 . 2 . . 581 . A 97 GLU HG2 . 34115 1 1002 . 1 1 97 97 GLU HG3 H 1 2.570 0.02 . 2 . . 2109 . A 97 GLU HG3 . 34115 1 1003 . 1 1 97 97 GLU C C 13 178.761 0.3 . 1 . . 177 . A 97 GLU C . 34115 1 1004 . 1 1 97 97 GLU CA C 13 58.546 0.027 . 1 . . 178 . A 97 GLU CA . 34115 1 1005 . 1 1 97 97 GLU CB C 13 28.701 0.048 . 1 . . 179 . A 97 GLU CB . 34115 1 1006 . 1 1 97 97 GLU CG C 13 38.062 0.3 . 1 . . 2107 . A 97 GLU CG . 34115 1 1007 . 1 1 97 97 GLU N N 15 118.712 0.3 . 1 . . 2517 . A 97 GLU N . 34115 1 1008 . 1 1 98 98 GLN H H 1 8.083 0.02 . 1 . . 2465 . A 98 GLN H . 34115 1 1009 . 1 1 98 98 GLN HA H 1 4.409 0.02 . 1 . . 580 . A 98 GLN HA . 34115 1 1010 . 1 1 98 98 GLN HB2 H 1 2.020 0.02 . 2 . . 2111 . A 98 GLN HB2 . 34115 1 1011 . 1 1 98 98 GLN HB3 H 1 2.209 0.02 . 2 . . 2112 . A 98 GLN HB3 . 34115 1 1012 . 1 1 98 98 GLN HG2 H 1 2.309 0.02 . 2 . . 2113 . A 98 GLN HG2 . 34115 1 1013 . 1 1 98 98 GLN HG3 H 1 2.281 0.02 . 2 . . 2114 . A 98 GLN HG3 . 34115 1 1014 . 1 1 98 98 GLN C C 13 178.437 0.3 . 1 . . 205 . A 98 GLN C . 34115 1 1015 . 1 1 98 98 GLN CA C 13 57.929 0.3 . 1 . . 204 . A 98 GLN CA . 34115 1 1016 . 1 1 98 98 GLN CB C 13 28.243 0.3 . 1 . . 203 . A 98 GLN CB . 34115 1 1017 . 1 1 98 98 GLN CG C 13 35.751 0.3 . 1 . . 2110 . A 98 GLN CG . 34115 1 1018 . 1 1 98 98 GLN N N 15 119.180 0.3 . 1 . . 2466 . A 98 GLN N . 34115 1 1019 . 1 1 99 99 LEU H H 1 8.245 0.02 . 1 . . 2509 . A 99 LEU H . 34115 1 1020 . 1 1 99 99 LEU HA H 1 3.994 0.02 . 1 . . 2117 . A 99 LEU HA . 34115 1 1021 . 1 1 99 99 LEU HB3 H 1 1.573 0.02 . 1 . . 2118 . A 99 LEU HB3 . 34115 1 1022 . 1 1 99 99 LEU HG H 1 1.523 0.02 . 1 . . 2119 . A 99 LEU HG . 34115 1 1023 . 1 1 99 99 LEU HD11 H 1 0.854 0.02 . 2 . . 1897 . A 99 LEU HD11 . 34115 1 1024 . 1 1 99 99 LEU HD12 H 1 0.854 0.02 . 2 . . 1897 . A 99 LEU HD12 . 34115 1 1025 . 1 1 99 99 LEU HD13 H 1 0.854 0.02 . 2 . . 1897 . A 99 LEU HD13 . 34115 1 1026 . 1 1 99 99 LEU HD21 H 1 0.872 0.02 . 2 . . 1899 . A 99 LEU HD21 . 34115 1 1027 . 1 1 99 99 LEU HD22 H 1 0.872 0.02 . 2 . . 1899 . A 99 LEU HD22 . 34115 1 1028 . 1 1 99 99 LEU HD23 H 1 0.872 0.02 . 2 . . 1899 . A 99 LEU HD23 . 34115 1 1029 . 1 1 99 99 LEU C C 13 177.862 0.3 . 1 . . 357 . A 99 LEU C . 34115 1 1030 . 1 1 99 99 LEU CA C 13 57.669 0.3 . 1 . . 2116 . A 99 LEU CA . 34115 1 1031 . 1 1 99 99 LEU CB C 13 41.411 0.017 . 1 . . 358 . A 99 LEU CB . 34115 1 1032 . 1 1 99 99 LEU CG C 13 25.048 0.3 . 1 . . 2115 . A 99 LEU CG . 34115 1 1033 . 1 1 99 99 LEU CD1 C 13 23.094 0.3 . 2 . . 1898 . A 99 LEU CD1 . 34115 1 1034 . 1 1 99 99 LEU CD2 C 13 21.370 0.3 . 2 . . 1900 . A 99 LEU CD2 . 34115 1 1035 . 1 1 99 99 LEU N N 15 119.329 0.033 . 1 . . 672 . A 99 LEU N . 34115 1 1036 . 1 1 100 100 LYS H H 1 8.281 0.001 . 1 . . 607 . A 100 LYS H . 34115 1 1037 . 1 1 100 100 LYS HA H 1 3.999 0.02 . 1 . . 2122 . A 100 LYS HA . 34115 1 1038 . 1 1 100 100 LYS HB2 H 1 1.440 0.02 . 2 . . 2123 . A 100 LYS HB2 . 34115 1 1039 . 1 1 100 100 LYS HB3 H 1 1.551 0.02 . 2 . . 2124 . A 100 LYS HB3 . 34115 1 1040 . 1 1 100 100 LYS HG2 H 1 1.266 0.02 . 2 . . 2125 . A 100 LYS HG2 . 34115 1 1041 . 1 1 100 100 LYS HG3 H 1 1.366 0.02 . 2 . . 2126 . A 100 LYS HG3 . 34115 1 1042 . 1 1 100 100 LYS HD2 H 1 1.678 0.02 . 2 . . 2127 . A 100 LYS HD2 . 34115 1 1043 . 1 1 100 100 LYS HD3 H 1 1.728 0.02 . 2 . . 2128 . A 100 LYS HD3 . 34115 1 1044 . 1 1 100 100 LYS HE2 H 1 3.442 0.02 . 2 . . 674 . A 100 LYS HE2 . 34115 1 1045 . 1 1 100 100 LYS HE3 H 1 3.352 0.02 . 2 . . 2129 . A 100 LYS HE3 . 34115 1 1046 . 1 1 100 100 LYS HZ1 H 1 7.617 0.02 . 1 . . 673 . A 100 LYS HZ1 . 34115 1 1047 . 1 1 100 100 LYS HZ2 H 1 7.617 0.02 . 1 . . 673 . A 100 LYS HZ2 . 34115 1 1048 . 1 1 100 100 LYS HZ3 H 1 7.617 0.02 . 1 . . 673 . A 100 LYS HZ3 . 34115 1 1049 . 1 1 100 100 LYS C C 13 176.822 0.3 . 1 . . 219 . A 100 LYS C . 34115 1 1050 . 1 1 100 100 LYS CA C 13 59.296 0.3 . 1 . . 2120 . A 100 LYS CA . 34115 1 1051 . 1 1 100 100 LYS CB C 13 32.583 0.3 . 1 . . 2121 . A 100 LYS CB . 34115 1 1052 . 1 1 100 100 LYS N N 15 119.867 0.3 . 1 . . 2518 . A 100 LYS N . 34115 1 1053 . 1 1 101 101 GLU H H 1 8.238 0.022 . 1 . . 30 . A 101 GLU H . 34115 1 1054 . 1 1 101 101 GLU HA H 1 4.385 0.02 . 1 . . 675 . A 101 GLU HA . 34115 1 1055 . 1 1 101 101 GLU HB2 H 1 2.320 0.0 . 2 . . 676 . A 101 GLU HB2 . 34115 1 1056 . 1 1 101 101 GLU HB3 H 1 2.573 0.02 . 2 . . 2132 . A 101 GLU HB3 . 34115 1 1057 . 1 1 101 101 GLU HG2 H 1 2.319 0.02 . 2 . . 587 . A 101 GLU HG2 . 34115 1 1058 . 1 1 101 101 GLU HG3 H 1 2.351 0.02 . 2 . . 2131 . A 101 GLU HG3 . 34115 1 1059 . 1 1 101 101 GLU C C 13 176.821 0.3 . 1 . . 180 . A 101 GLU C . 34115 1 1060 . 1 1 101 101 GLU CA C 13 57.479 0.013 . 1 . . 181 . A 101 GLU CA . 34115 1 1061 . 1 1 101 101 GLU CB C 13 28.966 0.027 . 1 . . 182 . A 101 GLU CB . 34115 1 1062 . 1 1 101 101 GLU CG C 13 37.634 0.3 . 1 . . 2130 . A 101 GLU CG . 34115 1 1063 . 1 1 101 101 GLU N N 15 119.638 0.3 . 1 . . 2540 . A 101 GLU N . 34115 1 1064 . 1 1 102 102 LYS H H 1 8.013 0.02 . 1 . . 2476 . A 102 LYS H . 34115 1 1065 . 1 1 102 102 LYS HA H 1 4.213 0.02 . 1 . . 585 . A 102 LYS HA . 34115 1 1066 . 1 1 102 102 LYS HB2 H 1 1.444 0.02 . 2 . . 2136 . A 102 LYS HB2 . 34115 1 1067 . 1 1 102 102 LYS HB3 H 1 1.639 0.02 . 2 . . 2137 . A 102 LYS HB3 . 34115 1 1068 . 1 1 102 102 LYS HG2 H 1 1.216 0.02 . 2 . . 2138 . A 102 LYS HG2 . 34115 1 1069 . 1 1 102 102 LYS HG3 H 1 1.305 0.02 . 2 . . 2139 . A 102 LYS HG3 . 34115 1 1070 . 1 1 102 102 LYS HD2 H 1 1.711 0.02 . 2 . . 2140 . A 102 LYS HD2 . 34115 1 1071 . 1 1 102 102 LYS HD3 H 1 1.783 0.02 . 2 . . 2141 . A 102 LYS HD3 . 34115 1 1072 . 1 1 102 102 LYS HE2 H 1 3.005 0.02 . 2 . . 586 . A 102 LYS HE2 . 34115 1 1073 . 1 1 102 102 LYS HE3 H 1 3.024 0.02 . 2 . . 2142 . A 102 LYS HE3 . 34115 1 1074 . 1 1 102 102 LYS C C 13 176.650 0.3 . 1 . . 160 . A 102 LYS C . 34115 1 1075 . 1 1 102 102 LYS CA C 13 57.924 0.3 . 1 . . 161 . A 102 LYS CA . 34115 1 1076 . 1 1 102 102 LYS CB C 13 31.299 0.3 . 1 . . 162 . A 102 LYS CB . 34115 1 1077 . 1 1 102 102 LYS CG C 13 27.360 0.3 . 1 . . 2133 . A 102 LYS CG . 34115 1 1078 . 1 1 102 102 LYS CD C 13 28.425 0.3 . 1 . . 2134 . A 102 LYS CD . 34115 1 1079 . 1 1 102 102 LYS CE C 13 43.970 0.3 . 1 . . 2135 . A 102 LYS CE . 34115 1 1080 . 1 1 102 102 LYS N N 15 118.452 0.032 . 1 . . 39 . A 102 LYS N . 34115 1 1081 . 1 1 103 103 ALA H H 1 8.293 0.024 . 1 . . 584 . A 103 ALA H . 34115 1 1082 . 1 1 103 103 ALA HA H 1 4.128 0.02 . 1 . . 678 . A 103 ALA HA . 34115 1 1083 . 1 1 103 103 ALA HB1 H 1 1.451 0.02 . 1 . . 1831 . A 103 ALA HB1 . 34115 1 1084 . 1 1 103 103 ALA HB2 H 1 1.451 0.02 . 1 . . 1831 . A 103 ALA HB2 . 34115 1 1085 . 1 1 103 103 ALA HB3 H 1 1.451 0.02 . 1 . . 1831 . A 103 ALA HB3 . 34115 1 1086 . 1 1 103 103 ALA C C 13 178.704 0.3 . 1 . . 321 . A 103 ALA C . 34115 1 1087 . 1 1 103 103 ALA CA C 13 53.792 0.026 . 1 . . 320 . A 103 ALA CA . 34115 1 1088 . 1 1 103 103 ALA CB C 13 16.008 0.3 . 1 . . 1832 . A 103 ALA CB . 34115 1 1089 . 1 1 103 103 ALA N N 15 121.044 0.3 . 1 . . 677 . A 103 ALA N . 34115 1 1090 . 1 1 104 104 LYS H H 1 8.035 0.02 . 1 . . 2463 . A 104 LYS H . 34115 1 1091 . 1 1 104 104 LYS HA H 1 4.390 0.02 . 1 . . 679 . A 104 LYS HA . 34115 1 1092 . 1 1 104 104 LYS HB2 H 1 1.901 0.02 . 2 . . 590 . A 104 LYS HB2 . 34115 1 1093 . 1 1 104 104 LYS HB3 H 1 1.989 0.02 . 2 . . 2144 . A 104 LYS HB3 . 34115 1 1094 . 1 1 104 104 LYS HG2 H 1 1.483 0.02 . 2 . . 2145 . A 104 LYS HG2 . 34115 1 1095 . 1 1 104 104 LYS HG3 H 1 1.566 0.02 . 2 . . 2146 . A 104 LYS HG3 . 34115 1 1096 . 1 1 104 104 LYS HD2 H 1 1.659 0.023 . 2 . . 589 . A 104 LYS HD2 . 34115 1 1097 . 1 1 104 104 LYS HD3 H 1 1.722 0.02 . 2 . . 2147 . A 104 LYS HD3 . 34115 1 1098 . 1 1 104 104 LYS HE2 H 1 3.117 0.02 . 2 . . 588 . A 104 LYS HE2 . 34115 1 1099 . 1 1 104 104 LYS HE3 H 1 2.818 0.02 . 2 . . 2148 . A 104 LYS HE3 . 34115 1 1100 . 1 1 104 104 LYS C C 13 177.892 0.3 . 1 . . 148 . A 104 LYS C . 34115 1 1101 . 1 1 104 104 LYS CA C 13 57.704 0.005 . 1 . . 146 . A 104 LYS CA . 34115 1 1102 . 1 1 104 104 LYS CB C 13 31.647 0.014 . 1 . . 147 . A 104 LYS CB . 34115 1 1103 . 1 1 104 104 LYS CD C 13 29.775 0.3 . 1 . . 2154 . A 104 LYS CD . 34115 1 1104 . 1 1 104 104 LYS CE C 13 44.484 0.3 . 1 . . 2143 . A 104 LYS CE . 34115 1 1105 . 1 1 104 104 LYS N N 15 117.909 0.3 . 1 . . 2464 . A 104 LYS N . 34115 1 1106 . 1 1 105 105 MET H H 1 8.380 0.009 . 1 . . 32 . A 105 MET H . 34115 1 1107 . 1 1 105 105 MET HA H 1 4.154 0.02 . 1 . . 765 . A 105 MET HA . 34115 1 1108 . 1 1 105 105 MET HB2 H 1 2.010 0.02 . 2 . . 766 . A 105 MET HB2 . 34115 1 1109 . 1 1 105 105 MET HB3 H 1 2.139 0.02 . 2 . . 2150 . A 105 MET HB3 . 34115 1 1110 . 1 1 105 105 MET HG2 H 1 2.612 0.02 . 2 . . 2151 . A 105 MET HG2 . 34115 1 1111 . 1 1 105 105 MET HG3 H 1 2.718 0.02 . 2 . . 2152 . A 105 MET HG3 . 34115 1 1112 . 1 1 105 105 MET HE1 H 1 1.688 0.02 . 1 . . 1819 . A 105 MET HE1 . 34115 1 1113 . 1 1 105 105 MET HE2 H 1 1.688 0.02 . 1 . . 1819 . A 105 MET HE2 . 34115 1 1114 . 1 1 105 105 MET HE3 H 1 1.688 0.02 . 1 . . 1819 . A 105 MET HE3 . 34115 1 1115 . 1 1 105 105 MET C C 13 175.939 0.3 . 1 . . 341 . A 105 MET C . 34115 1 1116 . 1 1 105 105 MET CA C 13 57.241 0.3 . 1 . . 2149 . A 105 MET CA . 34115 1 1117 . 1 1 105 105 MET CB C 13 30.182 0.035 . 1 . . 342 . A 105 MET CB . 34115 1 1118 . 1 1 105 105 MET CE C 13 15.024 0.3 . 1 . . 1820 . A 105 MET CE . 34115 1 1119 . 1 1 105 105 MET N N 15 122.642 0.035 . 1 . . 33 . A 105 MET N . 34115 1 1120 . 1 1 106 106 ARG H H 1 8.378 0.02 . 1 . . 2459 . A 106 ARG H . 34115 1 1121 . 1 1 106 106 ARG CA C 13 57.745 0.3 . 1 . . 2156 . A 106 ARG CA . 34115 1 1122 . 1 1 106 106 ARG CB C 13 30.122 0.3 . 1 . . 2155 . A 106 ARG CB . 34115 1 1123 . 1 1 106 106 ARG N N 15 116.294 0.3 . 1 . . 2460 . A 106 ARG N . 34115 1 1124 . 1 1 107 107 GLU H H 1 8.599 0.02 . 1 . . 2495 . A 107 GLU H . 34115 1 1125 . 1 1 107 107 GLU HA H 1 4.294 0.02 . 1 . . 2158 . A 107 GLU HA . 34115 1 1126 . 1 1 107 107 GLU HB2 H 1 2.145 0.02 . 2 . . 2159 . A 107 GLU HB2 . 34115 1 1127 . 1 1 107 107 GLU HB3 H 1 2.081 0.02 . 2 . . 2160 . A 107 GLU HB3 . 34115 1 1128 . 1 1 107 107 GLU HG2 H 1 2.337 0.02 . 2 . . 2161 . A 107 GLU HG2 . 34115 1 1129 . 1 1 107 107 GLU HG3 H 1 2.426 0.02 . 2 . . 2162 . A 107 GLU HG3 . 34115 1 1130 . 1 1 107 107 GLU C C 13 175.380 0.3 . 1 . . 384 . A 107 GLU C . 34115 1 1131 . 1 1 107 107 GLU CA C 13 55.806 0.3 . 1 . . 383 . A 107 GLU CA . 34115 1 1132 . 1 1 107 107 GLU CB C 13 30.176 0.3 . 1 . . 382 . A 107 GLU CB . 34115 1 1133 . 1 1 107 107 GLU CG C 13 37.977 0.3 . 1 . . 2157 . A 107 GLU CG . 34115 1 1134 . 1 1 107 107 GLU N N 15 120.137 0.3 . 1 . . 2496 . A 107 GLU N . 34115 1 1135 . 1 1 108 108 LYS H H 1 8.036 0.008 . 1 . . 55 . A 108 LYS H . 34115 1 1136 . 1 1 108 108 LYS HA H 1 4.744 0.02 . 1 . . 2168 . A 108 LYS HA . 34115 1 1137 . 1 1 108 108 LYS HB2 H 1 1.560 0.02 . 1 . . 2169 . A 108 LYS HB2 . 34115 1 1138 . 1 1 108 108 LYS HG2 H 1 1.154 0.02 . 2 . . 2170 . A 108 LYS HG2 . 34115 1 1139 . 1 1 108 108 LYS HG3 H 1 1.303 0.02 . 2 . . 2171 . A 108 LYS HG3 . 34115 1 1140 . 1 1 108 108 LYS HE2 H 1 2.400 0.02 . 1 . . 2172 . A 108 LYS HE2 . 34115 1 1141 . 1 1 108 108 LYS CA C 13 56.478 0.3 . 1 . . 2164 . A 108 LYS CA . 34115 1 1142 . 1 1 108 108 LYS CB C 13 32.868 0.3 . 1 . . 2163 . A 108 LYS CB . 34115 1 1143 . 1 1 108 108 LYS CG C 13 26.379 0.3 . 1 . . 2165 . A 108 LYS CG . 34115 1 1144 . 1 1 108 108 LYS CD C 13 31.626 0.3 . 1 . . 2166 . A 108 LYS CD . 34115 1 1145 . 1 1 108 108 LYS CE C 13 40.048 0.3 . 1 . . 2167 . A 108 LYS CE . 34115 1 1146 . 1 1 108 108 LYS N N 15 126.733 0.019 . 1 . . 56 . A 108 LYS N . 34115 1 1147 . 1 1 109 109 LEU H H 1 7.950 0.019 . 1 . . 27 . A 109 LEU H . 34115 1 1148 . 1 1 109 109 LEU HA H 1 4.242 0.02 . 1 . . 682 . A 109 LEU HA . 34115 1 1149 . 1 1 109 109 LEU HB2 H 1 1.794 0.02 . 2 . . 683 . A 109 LEU HB2 . 34115 1 1150 . 1 1 109 109 LEU HB3 H 1 1.799 0.02 . 2 . . 2175 . A 109 LEU HB3 . 34115 1 1151 . 1 1 109 109 LEU HD11 H 1 0.997 0.02 . 1 . . 680 . A 109 LEU HD11 . 34115 1 1152 . 1 1 109 109 LEU HD12 H 1 0.997 0.02 . 1 . . 680 . A 109 LEU HD12 . 34115 1 1153 . 1 1 109 109 LEU HD13 H 1 0.997 0.02 . 1 . . 680 . A 109 LEU HD13 . 34115 1 1154 . 1 1 109 109 LEU C C 13 176.757 0.3 . 1 . . 225 . A 109 LEU C . 34115 1 1155 . 1 1 109 109 LEU CA C 13 54.959 0.3 . 1 . . 2174 . A 109 LEU CA . 34115 1 1156 . 1 1 109 109 LEU CB C 13 41.658 0.007 . 1 . . 224 . A 109 LEU CB . 34115 1 1157 . 1 1 109 109 LEU CG C 13 27.691 0.069 . 1 . . 2173 . A 109 LEU CG . 34115 1 1158 . 1 1 109 109 LEU CD1 C 13 21.548 0.3 . 1 . . 681 . A 109 LEU CD1 . 34115 1 1159 . 1 1 109 109 LEU N N 15 120.268 0.3 . 1 . . 2539 . A 109 LEU N . 34115 1 1160 . 1 1 110 110 TRP H H 1 7.947 0.001 . 1 . . 343 . A 110 TRP H . 34115 1 1161 . 1 1 110 110 TRP HA H 1 4.721 0.02 . 1 . . 2180 . A 110 TRP HA . 34115 1 1162 . 1 1 110 110 TRP HB2 H 1 3.508 0.02 . 2 . . 2181 . A 110 TRP HB2 . 34115 1 1163 . 1 1 110 110 TRP HB3 H 1 3.709 0.02 . 2 . . 2182 . A 110 TRP HB3 . 34115 1 1164 . 1 1 110 110 TRP C C 13 175.645 0.3 . 1 . . 347 . A 110 TRP C . 34115 1 1165 . 1 1 110 110 TRP CA C 13 57.138 0.012 . 1 . . 346 . A 110 TRP CA . 34115 1 1166 . 1 1 110 110 TRP CB C 13 29.369 0.004 . 1 . . 345 . A 110 TRP CB . 34115 1 1167 . 1 1 110 110 TRP N N 15 118.532 0.018 . 1 . . 344 . A 110 TRP N . 34115 1 1168 . 1 1 111 111 ILE H H 1 7.761 0.02 . 1 . . 2511 . A 111 ILE H . 34115 1 1169 . 1 1 111 111 ILE HB H 1 1.672 0.02 . 1 . . 2184 . A 111 ILE HB . 34115 1 1170 . 1 1 111 111 ILE HD11 H 1 0.490 0.02 . 1 . . 1803 . A 111 ILE HD11 . 34115 1 1171 . 1 1 111 111 ILE HD12 H 1 0.490 0.02 . 1 . . 1803 . A 111 ILE HD12 . 34115 1 1172 . 1 1 111 111 ILE HD13 H 1 0.490 0.02 . 1 . . 1803 . A 111 ILE HD13 . 34115 1 1173 . 1 1 111 111 ILE CA C 13 60.916 0.014 . 1 . . 194 . A 111 ILE CA . 34115 1 1174 . 1 1 111 111 ILE CB C 13 38.191 0.003 . 1 . . 195 . A 111 ILE CB . 34115 1 1175 . 1 1 111 111 ILE CG1 C 13 30.332 0.3 . 1 . . 2183 . A 111 ILE CG1 . 34115 1 1176 . 1 1 111 111 ILE CD1 C 13 11.004 0.3 . 1 . . 1804 . A 111 ILE CD1 . 34115 1 1177 . 1 1 111 111 ILE N N 15 119.317 0.037 . 1 . . 49 . A 111 ILE N . 34115 1 1178 . 1 1 112 112 GLN H H 1 7.828 0.011 . 1 . . 68 . A 112 GLN H . 34115 1 1179 . 1 1 112 112 GLN HA H 1 4.231 0.02 . 1 . . 2186 . A 112 GLN HA . 34115 1 1180 . 1 1 112 112 GLN HB2 H 1 1.998 0.02 . 2 . . 2187 . A 112 GLN HB2 . 34115 1 1181 . 1 1 112 112 GLN HB3 H 1 2.068 0.02 . 2 . . 2188 . A 112 GLN HB3 . 34115 1 1182 . 1 1 112 112 GLN HG2 H 1 2.560 0.02 . 2 . . 2189 . A 112 GLN HG2 . 34115 1 1183 . 1 1 112 112 GLN HG3 H 1 2.511 0.02 . 2 . . 2190 . A 112 GLN HG3 . 34115 1 1184 . 1 1 112 112 GLN CA C 13 55.547 0.3 . 1 . . 230 . A 112 GLN CA . 34115 1 1185 . 1 1 112 112 GLN CB C 13 30.095 0.3 . 1 . . 229 . A 112 GLN CB . 34115 1 1186 . 1 1 112 112 GLN CG C 13 34.069 0.3 . 1 . . 2185 . A 112 GLN CG . 34115 1 1187 . 1 1 112 112 GLN N N 15 127.443 0.01 . 1 . . 69 . A 112 GLN N . 34115 1 1188 . 1 1 113 113 GLU H H 1 8.297 0.02 . 1 . . 2497 . A 113 GLU H . 34115 1 1189 . 1 1 113 113 GLU HA H 1 4.369 0.02 . 1 . . 2192 . A 113 GLU HA . 34115 1 1190 . 1 1 113 113 GLU HB2 H 1 2.254 0.02 . 2 . . 2193 . A 113 GLU HB2 . 34115 1 1191 . 1 1 113 113 GLU HB3 H 1 2.386 0.02 . 2 . . 2194 . A 113 GLU HB3 . 34115 1 1192 . 1 1 113 113 GLU HG2 H 1 2.525 0.02 . 2 . . 2195 . A 113 GLU HG2 . 34115 1 1193 . 1 1 113 113 GLU HG3 H 1 2.469 0.02 . 2 . . 2196 . A 113 GLU HG3 . 34115 1 1194 . 1 1 113 113 GLU C C 13 175.879 0.3 . 1 . . 387 . A 113 GLU C . 34115 1 1195 . 1 1 113 113 GLU CA C 13 55.680 0.3 . 1 . . 386 . A 113 GLU CA . 34115 1 1196 . 1 1 113 113 GLU CB C 13 28.782 0.3 . 1 . . 385 . A 113 GLU CB . 34115 1 1197 . 1 1 113 113 GLU CG C 13 34.844 0.3 . 1 . . 2191 . A 113 GLU CG . 34115 1 1198 . 1 1 113 113 GLU N N 15 121.441 0.3 . 1 . . 2498 . A 113 GLU N . 34115 1 1199 . 1 1 114 114 LEU H H 1 8.190 0.008 . 1 . . 45 . A 114 LEU H . 34115 1 1200 . 1 1 114 114 LEU HA H 1 4.293 0.02 . 1 . . 2205 . A 114 LEU HA . 34115 1 1201 . 1 1 114 114 LEU HB2 H 1 1.893 0.02 . 2 . . 2206 . A 114 LEU HB2 . 34115 1 1202 . 1 1 114 114 LEU HB3 H 1 1.810 0.02 . 2 . . 2207 . A 114 LEU HB3 . 34115 1 1203 . 1 1 114 114 LEU HG H 1 1.789 0.02 . 1 . . 2208 . A 114 LEU HG . 34115 1 1204 . 1 1 114 114 LEU C C 13 176.275 0.3 . 1 . . 238 . A 114 LEU C . 34115 1 1205 . 1 1 114 114 LEU CA C 13 55.336 0.018 . 1 . . 237 . A 114 LEU CA . 34115 1 1206 . 1 1 114 114 LEU CB C 13 41.459 0.032 . 1 . . 239 . A 114 LEU CB . 34115 1 1207 . 1 1 114 114 LEU CG C 13 27.905 0.3 . 1 . . 2204 . A 114 LEU CG . 34115 1 1208 . 1 1 114 114 LEU N N 15 123.374 0.049 . 1 . . 46 . A 114 LEU N . 34115 1 1209 . 1 1 115 115 GLU H H 1 8.595 0.007 . 1 . . 20 . A 115 GLU H . 34115 1 1210 . 1 1 115 115 GLU HA H 1 4.342 0.02 . 1 . . 2199 . A 115 GLU HA . 34115 1 1211 . 1 1 115 115 GLU HB2 H 1 2.254 0.02 . 2 . . 2200 . A 115 GLU HB2 . 34115 1 1212 . 1 1 115 115 GLU HB3 H 1 2.185 0.02 . 2 . . 2201 . A 115 GLU HB3 . 34115 1 1213 . 1 1 115 115 GLU HG2 H 1 2.469 0.02 . 2 . . 2202 . A 115 GLU HG2 . 34115 1 1214 . 1 1 115 115 GLU HG3 H 1 2.386 0.02 . 2 . . 2203 . A 115 GLU HG3 . 34115 1 1215 . 1 1 115 115 GLU C C 13 176.369 0.3 . 1 . . 242 . A 115 GLU C . 34115 1 1216 . 1 1 115 115 GLU CA C 13 55.701 0.3 . 1 . . 2197 . A 115 GLU CA . 34115 1 1217 . 1 1 115 115 GLU CB C 13 29.456 0.012 . 1 . . 243 . A 115 GLU CB . 34115 1 1218 . 1 1 115 115 GLU CG C 13 34.552 0.3 . 1 . . 2198 . A 115 GLU CG . 34115 1 1219 . 1 1 115 115 GLU N N 15 122.376 0.015 . 1 . . 21 . A 115 GLU N . 34115 1 1220 . 1 1 116 116 ARG H H 1 8.495 0.02 . 1 . . 2513 . A 116 ARG H . 34115 1 1221 . 1 1 116 116 ARG HA H 1 4.328 0.02 . 1 . . 2213 . A 116 ARG HA . 34115 1 1222 . 1 1 116 116 ARG HB2 H 1 2.046 0.02 . 2 . . 2217 . A 116 ARG HB2 . 34115 1 1223 . 1 1 116 116 ARG HB3 H 1 1.998 0.02 . 2 . . 2218 . A 116 ARG HB3 . 34115 1 1224 . 1 1 116 116 ARG HG2 H 1 1.796 0.02 . 2 . . 2219 . A 116 ARG HG2 . 34115 1 1225 . 1 1 116 116 ARG HG3 H 1 1.692 0.02 . 2 . . 2220 . A 116 ARG HG3 . 34115 1 1226 . 1 1 116 116 ARG HD2 H 1 3.176 0.02 . 2 . . 2225 . A 116 ARG HD2 . 34115 1 1227 . 1 1 116 116 ARG HD3 H 1 3.274 0.02 . 2 . . 2226 . A 116 ARG HD3 . 34115 1 1228 . 1 1 116 116 ARG C C 13 176.364 0.3 . 1 . . 270 . A 116 ARG C . 34115 1 1229 . 1 1 116 116 ARG CA C 13 55.826 0.3 . 1 . . 269 . A 116 ARG CA . 34115 1 1230 . 1 1 116 116 ARG CB C 13 29.954 0.3 . 1 . . 268 . A 116 ARG CB . 34115 1 1231 . 1 1 116 116 ARG CG C 13 27.411 0.3 . 1 . . 2209 . A 116 ARG CG . 34115 1 1232 . 1 1 116 116 ARG CD C 13 43.414 0.3 . 1 . . 2211 . A 116 ARG CD . 34115 1 1233 . 1 1 116 116 ARG N N 15 122.644 0.064 . 1 . . 72 . A 116 ARG N . 34115 1 1234 . 1 1 117 117 ARG H H 1 8.223 0.02 . 1 . . 592 . A 117 ARG H . 34115 1 1235 . 1 1 117 117 ARG HA H 1 4.251 0.02 . 1 . . 2214 . A 117 ARG HA . 34115 1 1236 . 1 1 117 117 ARG HB2 H 1 1.907 0.02 . 2 . . 2215 . A 117 ARG HB2 . 34115 1 1237 . 1 1 117 117 ARG HB3 H 1 1.977 0.02 . 2 . . 2216 . A 117 ARG HB3 . 34115 1 1238 . 1 1 117 117 ARG HG2 H 1 1.776 0.02 . 2 . . 2221 . A 117 ARG HG2 . 34115 1 1239 . 1 1 117 117 ARG HG3 H 1 1.706 0.02 . 2 . . 2222 . A 117 ARG HG3 . 34115 1 1240 . 1 1 117 117 ARG HD2 H 1 3.315 0.02 . 2 . . 2223 . A 117 ARG HD2 . 34115 1 1241 . 1 1 117 117 ARG HD3 H 1 3.385 0.02 . 2 . . 2224 . A 117 ARG HD3 . 34115 1 1242 . 1 1 117 117 ARG C C 13 176.913 0.3 . 1 . . 389 . A 117 ARG C . 34115 1 1243 . 1 1 117 117 ARG CA C 13 57.161 0.3 . 1 . . 2227 . A 117 ARG CA . 34115 1 1244 . 1 1 117 117 ARG CB C 13 29.997 0.3 . 1 . . 388 . A 117 ARG CB . 34115 1 1245 . 1 1 117 117 ARG CG C 13 28.610 0.3 . 1 . . 2210 . A 117 ARG CG . 34115 1 1246 . 1 1 117 117 ARG CD C 13 44.260 0.3 . 1 . . 2212 . A 117 ARG CD . 34115 1 1247 . 1 1 117 117 ARG N N 15 118.828 0.3 . 1 . . 593 . A 117 ARG N . 34115 1 1248 . 1 1 118 118 GLU H H 1 8.637 0.008 . 1 . . 15 . A 118 GLU H . 34115 1 1249 . 1 1 118 118 GLU HA H 1 4.342 0.02 . 1 . . 2234 . A 118 GLU HA . 34115 1 1250 . 1 1 118 118 GLU HB2 H 1 2.275 0.02 . 2 . . 2235 . A 118 GLU HB2 . 34115 1 1251 . 1 1 118 118 GLU HB3 H 1 2.226 0.02 . 2 . . 2236 . A 118 GLU HB3 . 34115 1 1252 . 1 1 118 118 GLU HG2 H 1 2.573 0.02 . 2 . . 2237 . A 118 GLU HG2 . 34115 1 1253 . 1 1 118 118 GLU HG3 H 1 2.538 0.02 . 2 . . 2238 . A 118 GLU HG3 . 34115 1 1254 . 1 1 118 118 GLU C C 13 176.888 0.3 . 1 . . 241 . A 118 GLU C . 34115 1 1255 . 1 1 118 118 GLU CA C 13 56.814 0.009 . 1 . . 240 . A 118 GLU CA . 34115 1 1256 . 1 1 118 118 GLU CB C 13 27.675 0.3 . 1 . . 2228 . A 118 GLU CB . 34115 1 1257 . 1 1 118 118 GLU CG C 13 37.375 0.3 . 1 . . 2231 . A 118 GLU CG . 34115 1 1258 . 1 1 118 118 GLU N N 15 122.129 0.01 . 1 . . 16 . A 118 GLU N . 34115 1 1259 . 1 1 119 119 GLU H H 1 8.555 0.006 . 1 . . 58 . A 119 GLU H . 34115 1 1260 . 1 1 119 119 GLU HA H 1 4.232 0.02 . 1 . . 684 . A 119 GLU HA . 34115 1 1261 . 1 1 119 119 GLU HB2 H 1 2.036 0.02 . 2 . . 686 . A 119 GLU HB2 . 34115 1 1262 . 1 1 119 119 GLU HB3 H 1 2.088 0.02 . 2 . . 2239 . A 119 GLU HB3 . 34115 1 1263 . 1 1 119 119 GLU HG2 H 1 2.295 0.02 . 2 . . 685 . A 119 GLU HG2 . 34115 1 1264 . 1 1 119 119 GLU HG3 H 1 2.365 0.02 . 2 . . 2240 . A 119 GLU HG3 . 34115 1 1265 . 1 1 119 119 GLU C C 13 177.355 0.3 . 1 . . 248 . A 119 GLU C . 34115 1 1266 . 1 1 119 119 GLU CA C 13 57.016 0.026 . 1 . . 249 . A 119 GLU CA . 34115 1 1267 . 1 1 119 119 GLU CB C 13 26.095 0.3 . 1 . . 2229 . A 119 GLU CB . 34115 1 1268 . 1 1 119 119 GLU CG C 13 36.247 0.3 . 1 . . 2232 . A 119 GLU CG . 34115 1 1269 . 1 1 119 119 GLU N N 15 121.317 0.3 . 1 . . 2519 . A 119 GLU N . 34115 1 1270 . 1 1 120 120 GLU H H 1 8.447 0.033 . 1 . . 438 . A 120 GLU H . 34115 1 1271 . 1 1 120 120 GLU HA H 1 4.516 0.02 . 1 . . 687 . A 120 GLU HA . 34115 1 1272 . 1 1 120 120 GLU HB2 H 1 2.128 0.02 . 2 . . 591 . A 120 GLU HB2 . 34115 1 1273 . 1 1 120 120 GLU HB3 H 1 2.053 0.02 . 2 . . 2241 . A 120 GLU HB3 . 34115 1 1274 . 1 1 120 120 GLU HG2 H 1 2.518 0.02 . 2 . . 2242 . A 120 GLU HG2 . 34115 1 1275 . 1 1 120 120 GLU HG3 H 1 2.476 0.02 . 2 . . 2243 . A 120 GLU HG3 . 34115 1 1276 . 1 1 120 120 GLU C C 13 177.569 0.3 . 1 . . 250 . A 120 GLU C . 34115 1 1277 . 1 1 120 120 GLU CA C 13 57.278 0.019 . 1 . . 251 . A 120 GLU CA . 34115 1 1278 . 1 1 120 120 GLU CB C 13 26.166 0.3 . 1 . . 2230 . A 120 GLU CB . 34115 1 1279 . 1 1 120 120 GLU CG C 13 36.952 0.3 . 1 . . 2233 . A 120 GLU CG . 34115 1 1280 . 1 1 120 120 GLU N N 15 122.264 0.054 . 1 . . 439 . A 120 GLU N . 34115 1 1281 . 1 1 121 121 THR H H 1 8.713 0.02 . 1 . . 2477 . A 121 THR H . 34115 1 1282 . 1 1 121 121 THR HA H 1 3.529 0.02 . 1 . . 2249 . A 121 THR HA . 34115 1 1283 . 1 1 121 121 THR HB H 1 3.688 0.02 . 1 . . 2250 . A 121 THR HB . 34115 1 1284 . 1 1 121 121 THR HG21 H 1 1.086 0.02 . 1 . . 1851 . A 121 THR HG21 . 34115 1 1285 . 1 1 121 121 THR HG22 H 1 1.086 0.02 . 1 . . 1851 . A 121 THR HG22 . 34115 1 1286 . 1 1 121 121 THR HG23 H 1 1.086 0.02 . 1 . . 1851 . A 121 THR HG23 . 34115 1 1287 . 1 1 121 121 THR C C 13 177.481 0.3 . 1 . . 2248 . A 121 THR C . 34115 1 1288 . 1 1 121 121 THR CA C 13 63.611 0.019 . 1 . . 103 . A 121 THR CA . 34115 1 1289 . 1 1 121 121 THR CB C 13 68.244 0.3 . 1 . . 2247 . A 121 THR CB . 34115 1 1290 . 1 1 121 121 THR CG2 C 13 19.039 0.3 . 1 . . 1852 . A 121 THR CG2 . 34115 1 1291 . 1 1 121 121 THR N N 15 113.787 0.3 . 1 . . 2478 . A 121 THR N . 34115 1 1292 . 1 1 122 122 GLU H H 1 8.497 0.02 . 1 . . 2452 . A 122 GLU H . 34115 1 1293 . 1 1 122 122 GLU HA H 1 4.345 0.02 . 1 . . 688 . A 122 GLU HA . 34115 1 1294 . 1 1 122 122 GLU HB2 H 1 2.258 0.02 . 2 . . 689 . A 122 GLU HB2 . 34115 1 1295 . 1 1 122 122 GLU HB3 H 1 2.232 0.02 . 2 . . 2246 . A 122 GLU HB3 . 34115 1 1296 . 1 1 122 122 GLU HG2 H 1 2.508 0.02 . 2 . . 690 . A 122 GLU HG2 . 34115 1 1297 . 1 1 122 122 GLU HG3 H 1 2.530 0.02 . 2 . . 2245 . A 122 GLU HG3 . 34115 1 1298 . 1 1 122 122 GLU C C 13 177.833 0.3 . 1 . . 340 . A 122 GLU C . 34115 1 1299 . 1 1 122 122 GLU CA C 13 57.983 0.009 . 1 . . 339 . A 122 GLU CA . 34115 1 1300 . 1 1 122 122 GLU CB C 13 28.849 0.051 . 1 . . 338 . A 122 GLU CB . 34115 1 1301 . 1 1 122 122 GLU CG C 13 37.516 0.3 . 1 . . 2244 . A 122 GLU CG . 34115 1 1302 . 1 1 122 122 GLU N N 15 122.225 0.3 . 1 . . 2453 . A 122 GLU N . 34115 1 1303 . 1 1 123 123 ALA H H 1 8.250 0.06 . 1 . . 42 . A 123 ALA H . 34115 1 1304 . 1 1 123 123 ALA HA H 1 4.319 0.02 . 1 . . 457 . A 123 ALA HA . 34115 1 1305 . 1 1 123 123 ALA HB1 H 1 1.646 0.02 . 1 . . 456 . A 123 ALA HB1 . 34115 1 1306 . 1 1 123 123 ALA HB2 H 1 1.646 0.02 . 1 . . 456 . A 123 ALA HB2 . 34115 1 1307 . 1 1 123 123 ALA HB3 H 1 1.646 0.02 . 1 . . 456 . A 123 ALA HB3 . 34115 1 1308 . 1 1 123 123 ALA C C 13 179.695 0.3 . 1 . . 275 . A 123 ALA C . 34115 1 1309 . 1 1 123 123 ALA CA C 13 54.140 0.045 . 1 . . 274 . A 123 ALA CA . 34115 1 1310 . 1 1 123 123 ALA CB C 13 17.861 0.031 . 1 . . 273 . A 123 ALA CB . 34115 1 1311 . 1 1 123 123 ALA N N 15 121.275 0.3 . 1 . . 2428 . A 123 ALA N . 34115 1 1312 . 1 1 124 124 ARG H H 1 8.067 0.02 . 1 . . 2456 . A 124 ARG H . 34115 1 1313 . 1 1 124 124 ARG HA H 1 4.263 0.02 . 1 . . 691 . A 124 ARG HA . 34115 1 1314 . 1 1 124 124 ARG HB2 H 1 1.957 0.02 . 2 . . 693 . A 124 ARG HB2 . 34115 1 1315 . 1 1 124 124 ARG HB3 H 1 1.913 0.02 . 2 . . 2258 . A 124 ARG HB3 . 34115 1 1316 . 1 1 124 124 ARG HG2 H 1 1.650 0.02 . 2 . . 694 . A 124 ARG HG2 . 34115 1 1317 . 1 1 124 124 ARG HG3 H 1 1.573 0.02 . 2 . . 2259 . A 124 ARG HG3 . 34115 1 1318 . 1 1 124 124 ARG HD2 H 1 3.383 0.02 . 2 . . 692 . A 124 ARG HD2 . 34115 1 1319 . 1 1 124 124 ARG HD3 H 1 3.300 0.02 . 2 . . 2260 . A 124 ARG HD3 . 34115 1 1320 . 1 1 124 124 ARG C C 13 178.158 0.3 . 1 . . 151 . A 124 ARG C . 34115 1 1321 . 1 1 124 124 ARG CA C 13 57.936 0.009 . 1 . . 149 . A 124 ARG CA . 34115 1 1322 . 1 1 124 124 ARG CB C 13 29.492 0.016 . 1 . . 150 . A 124 ARG CB . 34115 1 1323 . 1 1 124 124 ARG CG C 13 28.528 0.3 . 1 . . 2251 . A 124 ARG CG . 34115 1 1324 . 1 1 124 124 ARG CD C 13 43.333 0.3 . 1 . . 2253 . A 124 ARG CD . 34115 1 1325 . 1 1 124 124 ARG N N 15 117.424 0.3 . 1 . . 2541 . A 124 ARG N . 34115 1 1326 . 1 1 125 125 ARG H H 1 8.114 0.001 . 1 . . 308 . A 125 ARG H . 34115 1 1327 . 1 1 125 125 ARG HA H 1 4.181 0.02 . 1 . . 2255 . A 125 ARG HA . 34115 1 1328 . 1 1 125 125 ARG HB2 H 1 1.941 0.02 . 2 . . 2256 . A 125 ARG HB2 . 34115 1 1329 . 1 1 125 125 ARG HB3 H 1 1.830 0.02 . 2 . . 2257 . A 125 ARG HB3 . 34115 1 1330 . 1 1 125 125 ARG HG2 H 1 1.816 0.02 . 2 . . 2261 . A 125 ARG HG2 . 34115 1 1331 . 1 1 125 125 ARG HG3 H 1 1.705 0.02 . 2 . . 2262 . A 125 ARG HG3 . 34115 1 1332 . 1 1 125 125 ARG HD2 H 1 3.168 0.02 . 2 . . 2263 . A 125 ARG HD2 . 34115 1 1333 . 1 1 125 125 ARG HD3 H 1 3.071 0.02 . 2 . . 2264 . A 125 ARG HD3 . 34115 1 1334 . 1 1 125 125 ARG C C 13 177.957 0.3 . 1 . . 312 . A 125 ARG C . 34115 1 1335 . 1 1 125 125 ARG CA C 13 57.931 0.3 . 1 . . 311 . A 125 ARG CA . 34115 1 1336 . 1 1 125 125 ARG CB C 13 29.565 0.3 . 1 . . 310 . A 125 ARG CB . 34115 1 1337 . 1 1 125 125 ARG CG C 13 29.163 0.3 . 1 . . 2252 . A 125 ARG CG . 34115 1 1338 . 1 1 125 125 ARG CD C 13 45.095 0.3 . 1 . . 2254 . A 125 ARG CD . 34115 1 1339 . 1 1 125 125 ARG N N 15 120.522 0.058 . 1 . . 309 . A 125 ARG N . 34115 1 1340 . 1 1 126 126 LYS H H 1 8.417 0.02 . 1 . . 2454 . A 126 LYS H . 34115 1 1341 . 1 1 126 126 LYS HA H 1 3.311 0.02 . 1 . . 2268 . A 126 LYS HA . 34115 1 1342 . 1 1 126 126 LYS HB2 H 1 1.508 0.02 . 2 . . 2269 . A 126 LYS HB2 . 34115 1 1343 . 1 1 126 126 LYS HB3 H 1 1.698 0.02 . 2 . . 2270 . A 126 LYS HB3 . 34115 1 1344 . 1 1 126 126 LYS HG2 H 1 1.434 0.02 . 2 . . 2271 . A 126 LYS HG2 . 34115 1 1345 . 1 1 126 126 LYS HG3 H 1 1.244 0.02 . 2 . . 2272 . A 126 LYS HG3 . 34115 1 1346 . 1 1 126 126 LYS HD2 H 1 1.713 0.02 . 2 . . 2273 . A 126 LYS HD2 . 34115 1 1347 . 1 1 126 126 LYS HD3 H 1 1.566 0.02 . 2 . . 2274 . A 126 LYS HD3 . 34115 1 1348 . 1 1 126 126 LYS HE2 H 1 2.973 0.02 . 2 . . 2275 . A 126 LYS HE2 . 34115 1 1349 . 1 1 126 126 LYS HE3 H 1 2.797 0.02 . 2 . . 2276 . A 126 LYS HE3 . 34115 1 1350 . 1 1 126 126 LYS C C 13 178.575 0.3 . 1 . . 392 . A 126 LYS C . 34115 1 1351 . 1 1 126 126 LYS CA C 13 57.196 0.3 . 1 . . 390 . A 126 LYS CA . 34115 1 1352 . 1 1 126 126 LYS CB C 13 29.034 0.3 . 1 . . 391 . A 126 LYS CB . 34115 1 1353 . 1 1 126 126 LYS CG C 13 25.850 0.3 . 1 . . 2265 . A 126 LYS CG . 34115 1 1354 . 1 1 126 126 LYS CD C 13 29.233 0.3 . 1 . . 2266 . A 126 LYS CD . 34115 1 1355 . 1 1 126 126 LYS CE C 13 41.077 0.3 . 1 . . 2267 . A 126 LYS CE . 34115 1 1356 . 1 1 126 126 LYS N N 15 118.151 0.3 . 1 . . 2455 . A 126 LYS N . 34115 1 1357 . 1 1 127 127 ARG H H 1 8.230 0.001 . 1 . . 446 . A 127 ARG H . 34115 1 1358 . 1 1 127 127 ARG HA H 1 4.248 0.02 . 1 . . 2279 . A 127 ARG HA . 34115 1 1359 . 1 1 127 127 ARG HB2 H 1 2.109 0.02 . 2 . . 2280 . A 127 ARG HB2 . 34115 1 1360 . 1 1 127 127 ARG HB3 H 1 2.255 0.02 . 2 . . 2281 . A 127 ARG HB3 . 34115 1 1361 . 1 1 127 127 ARG HG2 H 1 1.625 0.02 . 2 . . 2282 . A 127 ARG HG2 . 34115 1 1362 . 1 1 127 127 ARG HG3 H 1 1.727 0.02 . 2 . . 2283 . A 127 ARG HG3 . 34115 1 1363 . 1 1 127 127 ARG HD2 H 1 3.252 0.02 . 2 . . 2284 . A 127 ARG HD2 . 34115 1 1364 . 1 1 127 127 ARG HD3 H 1 3.428 0.02 . 2 . . 2285 . A 127 ARG HD3 . 34115 1 1365 . 1 1 127 127 ARG C C 13 177.318 0.3 . 1 . . 220 . A 127 ARG C . 34115 1 1366 . 1 1 127 127 ARG CA C 13 57.079 0.033 . 1 . . 293 . A 127 ARG CA . 34115 1 1367 . 1 1 127 127 ARG CB C 13 29.230 0.04 . 1 . . 294 . A 127 ARG CB . 34115 1 1368 . 1 1 127 127 ARG CG C 13 27.965 0.3 . 1 . . 2277 . A 127 ARG CG . 34115 1 1369 . 1 1 127 127 ARG CD C 13 43.826 0.3 . 1 . . 2278 . A 127 ARG CD . 34115 1 1370 . 1 1 127 127 ARG N N 15 120.517 0.3 . 1 . . 608 . A 127 ARG N . 34115 1 1371 . 1 1 128 128 ALA H H 1 8.277 0.011 . 1 . . 26 . A 128 ALA H . 34115 1 1372 . 1 1 128 128 ALA HB1 H 1 1.666 0.02 . 1 . . 539 . A 128 ALA HB1 . 34115 1 1373 . 1 1 128 128 ALA HB2 H 1 1.666 0.02 . 1 . . 539 . A 128 ALA HB2 . 34115 1 1374 . 1 1 128 128 ALA HB3 H 1 1.666 0.02 . 1 . . 539 . A 128 ALA HB3 . 34115 1 1375 . 1 1 128 128 ALA C C 13 178.613 0.3 . 1 . . 235 . A 128 ALA C . 34115 1 1376 . 1 1 128 128 ALA CA C 13 53.196 0.3 . 1 . . 236 . A 128 ALA CA . 34115 1 1377 . 1 1 128 128 ALA CB C 13 18.025 0.3 . 1 . . 394 . A 128 ALA CB . 34115 1 1378 . 1 1 128 128 ALA N N 15 123.897 0.3 . 1 . . 2542 . A 128 ALA N . 34115 1 1379 . 1 1 129 129 GLU H H 1 8.409 0.02 . 1 . . 610 . A 129 GLU H . 34115 1 1380 . 1 1 129 129 GLU HA H 1 4.029 0.02 . 1 . . 2288 . A 129 GLU HA . 34115 1 1381 . 1 1 129 129 GLU HB2 H 1 1.977 0.02 . 2 . . 2289 . A 129 GLU HB2 . 34115 1 1382 . 1 1 129 129 GLU HB3 H 1 2.138 0.02 . 2 . . 2290 . A 129 GLU HB3 . 34115 1 1383 . 1 1 129 129 GLU HG2 H 1 2.152 0.02 . 2 . . 2291 . A 129 GLU HG2 . 34115 1 1384 . 1 1 129 129 GLU HG3 H 1 2.416 0.02 . 2 . . 2292 . A 129 GLU HG3 . 34115 1 1385 . 1 1 129 129 GLU C C 13 176.665 0.3 . 1 . . 393 . A 129 GLU C . 34115 1 1386 . 1 1 129 129 GLU CA C 13 56.600 0.3 . 1 . . 2286 . A 129 GLU CA . 34115 1 1387 . 1 1 129 129 GLU CB C 13 27.902 0.3 . 1 . . 2287 . A 129 GLU CB . 34115 1 1388 . 1 1 129 129 GLU N N 15 122.355 0.3 . 1 . . 609 . A 129 GLU N . 34115 1 1389 . 1 1 130 130 LEU H H 1 8.048 0.001 . 1 . . 334 . A 130 LEU H . 34115 1 1390 . 1 1 130 130 LEU HA H 1 4.571 0.02 . 1 . . 2294 . A 130 LEU HA . 34115 1 1391 . 1 1 130 130 LEU HB2 H 1 1.727 0.02 . 2 . . 2295 . A 130 LEU HB2 . 34115 1 1392 . 1 1 130 130 LEU HB3 H 1 1.859 0.02 . 2 . . 2296 . A 130 LEU HB3 . 34115 1 1393 . 1 1 130 130 LEU HG H 1 1.889 0.02 . 1 . . 2297 . A 130 LEU HG . 34115 1 1394 . 1 1 130 130 LEU C C 13 177.556 0.3 . 1 . . 2310 . A 130 LEU C . 34115 1 1395 . 1 1 130 130 LEU CA C 13 54.970 0.029 . 1 . . 336 . A 130 LEU CA . 34115 1 1396 . 1 1 130 130 LEU CB C 13 41.672 0.009 . 1 . . 337 . A 130 LEU CB . 34115 1 1397 . 1 1 130 130 LEU CG C 13 27.550 0.3 . 1 . . 2293 . A 130 LEU CG . 34115 1 1398 . 1 1 130 130 LEU N N 15 121.707 0.061 . 1 . . 335 . A 130 LEU N . 34115 1 1399 . 1 1 131 131 ALA H H 1 8.132 0.012 . 1 . . 66 . A 131 ALA H . 34115 1 1400 . 1 1 131 131 ALA HA H 1 4.483 0.02 . 1 . . 2298 . A 131 ALA HA . 34115 1 1401 . 1 1 131 131 ALA C C 13 176.608 0.3 . 1 . . 234 . A 131 ALA C . 34115 1 1402 . 1 1 131 131 ALA CA C 13 52.228 0.003 . 1 . . 233 . A 131 ALA CA . 34115 1 1403 . 1 1 131 131 ALA CB C 13 18.503 0.006 . 1 . . 232 . A 131 ALA CB . 34115 1 1404 . 1 1 131 131 ALA N N 15 124.781 0.048 . 1 . . 67 . A 131 ALA N . 34115 1 1405 . 1 1 132 132 ARG H H 1 7.831 0.007 . 1 . . 7 . A 132 ARG H . 34115 1 1406 . 1 1 132 132 ARG HA H 1 4.483 0.02 . 1 . . 2301 . A 132 ARG HA . 34115 1 1407 . 1 1 132 132 ARG HB2 H 1 2.240 0.02 . 2 . . 2302 . A 132 ARG HB2 . 34115 1 1408 . 1 1 132 132 ARG HB3 H 1 2.006 0.02 . 2 . . 2303 . A 132 ARG HB3 . 34115 1 1409 . 1 1 132 132 ARG HG2 H 1 1.874 0.02 . 2 . . 2304 . A 132 ARG HG2 . 34115 1 1410 . 1 1 132 132 ARG HG3 H 1 1.683 0.02 . 2 . . 2305 . A 132 ARG HG3 . 34115 1 1411 . 1 1 132 132 ARG HD2 H 1 3.384 0.02 . 2 . . 2306 . A 132 ARG HD2 . 34115 1 1412 . 1 1 132 132 ARG HD3 H 1 3.178 0.02 . 2 . . 2307 . A 132 ARG HD3 . 34115 1 1413 . 1 1 132 132 ARG C C 13 177.556 0.3 . 1 . . 2309 . A 132 ARG C . 34115 1 1414 . 1 1 132 132 ARG CA C 13 57.147 0.3 . 1 . . 231 . A 132 ARG CA . 34115 1 1415 . 1 1 132 132 ARG CB C 13 31.286 0.3 . 1 . . 2308 . A 132 ARG CB . 34115 1 1416 . 1 1 132 132 ARG CG C 13 28.678 0.3 . 1 . . 2299 . A 132 ARG CG . 34115 1 1417 . 1 1 132 132 ARG CD C 13 43.694 0.3 . 1 . . 2300 . A 132 ARG CD . 34115 1 1418 . 1 1 132 132 ARG N N 15 125.295 0.004 . 1 . . 8 . A 132 ARG N . 34115 1 1419 . 1 1 133 133 MET H H 1 8.260 0.009 . 1 . . 10 . A 133 MET H . 34115 1 1420 . 1 1 133 133 MET HA H 1 4.240 0.02 . 1 . . 710 . A 133 MET HA . 34115 1 1421 . 1 1 133 133 MET HB2 H 1 2.086 0.02 . 2 . . 711 . A 133 MET HB2 . 34115 1 1422 . 1 1 133 133 MET HB3 H 1 2.152 0.02 . 2 . . 2312 . A 133 MET HB3 . 34115 1 1423 . 1 1 133 133 MET HG2 H 1 2.523 0.02 . 2 . . 712 . A 133 MET HG2 . 34115 1 1424 . 1 1 133 133 MET HG3 H 1 2.665 0.02 . 2 . . 2313 . A 133 MET HG3 . 34115 1 1425 . 1 1 133 133 MET HE1 H 1 2.081 0.02 . 1 . . 1817 . A 133 MET HE1 . 34115 1 1426 . 1 1 133 133 MET HE2 H 1 2.081 0.02 . 1 . . 1817 . A 133 MET HE2 . 34115 1 1427 . 1 1 133 133 MET HE3 H 1 2.081 0.02 . 1 . . 1817 . A 133 MET HE3 . 34115 1 1428 . 1 1 133 133 MET C C 13 178.054 0.3 . 1 . . 360 . A 133 MET C . 34115 1 1429 . 1 1 133 133 MET CA C 13 57.615 0.3 . 1 . . 361 . A 133 MET CA . 34115 1 1430 . 1 1 133 133 MET CB C 13 31.718 0.3 . 1 . . 359 . A 133 MET CB . 34115 1 1431 . 1 1 133 133 MET CG C 13 32.837 0.3 . 1 . . 2311 . A 133 MET CG . 34115 1 1432 . 1 1 133 133 MET CE C 13 14.690 0.3 . 1 . . 1818 . A 133 MET CE . 34115 1 1433 . 1 1 133 133 MET N N 15 120.131 0.049 . 1 . . 11 . A 133 MET N . 34115 1 1434 . 1 1 134 134 LYS H H 1 8.167 0.006 . 1 . . 40 . A 134 LYS H . 34115 1 1435 . 1 1 134 134 LYS HA H 1 4.470 0.02 . 1 . . 695 . A 134 LYS HA . 34115 1 1436 . 1 1 134 134 LYS HB2 H 1 1.905 0.002 . 2 . . 699 . A 134 LYS HB2 . 34115 1 1437 . 1 1 134 134 LYS HB3 H 1 2.138 0.02 . 2 . . 2317 . A 134 LYS HB3 . 34115 1 1438 . 1 1 134 134 LYS HG2 H 1 1.655 0.002 . 2 . . 698 . A 134 LYS HG2 . 34115 1 1439 . 1 1 134 134 LYS HG3 H 1 1.596 0.02 . 2 . . 2318 . A 134 LYS HG3 . 34115 1 1440 . 1 1 134 134 LYS HD2 H 1 1.771 0.02 . 2 . . 2319 . A 134 LYS HD2 . 34115 1 1441 . 1 1 134 134 LYS HD3 H 1 1.669 0.02 . 2 . . 2320 . A 134 LYS HD3 . 34115 1 1442 . 1 1 134 134 LYS HE2 H 1 3.391 0.02 . 2 . . 696 . A 134 LYS HE2 . 34115 1 1443 . 1 1 134 134 LYS HE3 H 1 3.142 0.02 . 2 . . 697 . A 134 LYS HE3 . 34115 1 1444 . 1 1 134 134 LYS C C 13 177.667 0.3 . 1 . . 212 . A 134 LYS C . 34115 1 1445 . 1 1 134 134 LYS CA C 13 57.490 0.039 . 1 . . 213 . A 134 LYS CA . 34115 1 1446 . 1 1 134 134 LYS CB C 13 31.684 0.012 . 1 . . 214 . A 134 LYS CB . 34115 1 1447 . 1 1 134 134 LYS CG C 13 26.775 0.3 . 1 . . 2314 . A 134 LYS CG . 34115 1 1448 . 1 1 134 134 LYS CD C 13 31.850 0.3 . 1 . . 2315 . A 134 LYS CD . 34115 1 1449 . 1 1 134 134 LYS CE C 13 42.636 0.3 . 1 . . 2316 . A 134 LYS CE . 34115 1 1450 . 1 1 134 134 LYS N N 15 119.523 0.088 . 1 . . 41 . A 134 LYS N . 34115 1 1451 . 1 1 135 135 THR H H 1 8.025 0.01 . 1 . . 601 . A 135 THR H . 34115 1 1452 . 1 1 135 135 THR HA H 1 4.248 0.02 . 1 . . 2321 . A 135 THR HA . 34115 1 1453 . 1 1 135 135 THR HB H 1 4.264 0.02 . 1 . . 602 . A 135 THR HB . 34115 1 1454 . 1 1 135 135 THR HG21 H 1 1.219 0.02 . 1 . . 1843 . A 135 THR HG21 . 34115 1 1455 . 1 1 135 135 THR HG22 H 1 1.219 0.02 . 1 . . 1843 . A 135 THR HG22 . 34115 1 1456 . 1 1 135 135 THR HG23 H 1 1.219 0.02 . 1 . . 1843 . A 135 THR HG23 . 34115 1 1457 . 1 1 135 135 THR C C 13 177.405 0.3 . 1 . . 2322 . A 135 THR C . 34115 1 1458 . 1 1 135 135 THR CA C 13 63.440 0.002 . 1 . . 83 . A 135 THR CA . 34115 1 1459 . 1 1 135 135 THR CB C 13 69.146 0.003 . 1 . . 82 . A 135 THR CB . 34115 1 1460 . 1 1 135 135 THR CG2 C 13 19.450 0.3 . 1 . . 1844 . A 135 THR CG2 . 34115 1 1461 . 1 1 135 135 THR N N 15 113.569 0.3 . 1 . . 424 . A 135 THR N . 34115 1 1462 . 1 1 136 136 LEU H H 1 8.083 0.014 . 1 . . 24 . A 136 LEU H . 34115 1 1463 . 1 1 136 136 LEU HA H 1 4.014 0.02 . 1 . . 2426 . A 136 LEU HA . 34115 1 1464 . 1 1 136 136 LEU HB2 H 1 1.792 0.02 . 2 . . 701 . A 136 LEU HB2 . 34115 1 1465 . 1 1 136 136 LEU HB3 H 1 1.874 0.02 . 2 . . 2323 . A 136 LEU HB3 . 34115 1 1466 . 1 1 136 136 LEU HG H 1 1.545 0.02 . 1 . . 700 . A 136 LEU HG . 34115 1 1467 . 1 1 136 136 LEU HD11 H 1 0.857 0.02 . 2 . . 1901 . A 136 LEU HD11 . 34115 1 1468 . 1 1 136 136 LEU HD12 H 1 0.857 0.02 . 2 . . 1901 . A 136 LEU HD12 . 34115 1 1469 . 1 1 136 136 LEU HD13 H 1 0.857 0.02 . 2 . . 1901 . A 136 LEU HD13 . 34115 1 1470 . 1 1 136 136 LEU HD21 H 1 0.907 0.02 . 2 . . 1903 . A 136 LEU HD21 . 34115 1 1471 . 1 1 136 136 LEU HD22 H 1 0.907 0.02 . 2 . . 1903 . A 136 LEU HD22 . 34115 1 1472 . 1 1 136 136 LEU HD23 H 1 0.907 0.02 . 2 . . 1903 . A 136 LEU HD23 . 34115 1 1473 . 1 1 136 136 LEU C C 13 179.963 0.3 . 1 . . 2325 . A 136 LEU C . 34115 1 1474 . 1 1 136 136 LEU CA C 13 56.102 0.024 . 1 . . 187 . A 136 LEU CA . 34115 1 1475 . 1 1 136 136 LEU CB C 13 41.308 0.002 . 1 . . 188 . A 136 LEU CB . 34115 1 1476 . 1 1 136 136 LEU CG C 13 29.594 0.3 . 1 . . 2324 . A 136 LEU CG . 34115 1 1477 . 1 1 136 136 LEU CD1 C 13 21.580 0.3 . 2 . . 1902 . A 136 LEU CD1 . 34115 1 1478 . 1 1 136 136 LEU CD2 C 13 22.885 0.3 . 2 . . 1904 . A 136 LEU CD2 . 34115 1 1479 . 1 1 136 136 LEU N N 15 121.638 0.032 . 1 . . 25 . A 136 LEU N . 34115 1 1480 . 1 1 137 137 GLU H H 1 8.602 0.02 . 1 . . 2510 . A 137 GLU H . 34115 1 1481 . 1 1 137 137 GLU HA H 1 4.236 0.02 . 1 . . 704 . A 137 GLU HA . 34115 1 1482 . 1 1 137 137 GLU HB2 H 1 2.254 0.02 . 2 . . 702 . A 137 GLU HB2 . 34115 1 1483 . 1 1 137 137 GLU HB3 H 1 2.284 0.02 . 2 . . 2328 . A 137 GLU HB3 . 34115 1 1484 . 1 1 137 137 GLU HG2 H 1 2.505 0.02 . 2 . . 703 . A 137 GLU HG2 . 34115 1 1485 . 1 1 137 137 GLU HG3 H 1 2.636 0.02 . 2 . . 2329 . A 137 GLU HG3 . 34115 1 1486 . 1 1 137 137 GLU C C 13 179.211 0.3 . 1 . . 2327 . A 137 GLU C . 34115 1 1487 . 1 1 137 137 GLU CA C 13 57.016 0.002 . 1 . . 154 . A 137 GLU CA . 34115 1 1488 . 1 1 137 137 GLU CB C 13 26.704 0.3 . 1 . . 2326 . A 137 GLU CB . 34115 1 1489 . 1 1 137 137 GLU N N 15 120.531 0.019 . 1 . . 570 . A 137 GLU N . 34115 1 1490 . 1 1 138 138 ASN H H 1 8.490 0.02 . 1 . . 2434 . A 138 ASN H . 34115 1 1491 . 1 1 138 138 ASN HA H 1 4.786 0.02 . 1 . . 713 . A 138 ASN HA . 34115 1 1492 . 1 1 138 138 ASN HB2 H 1 3.045 0.02 . 2 . . 705 . A 138 ASN HB2 . 34115 1 1493 . 1 1 138 138 ASN HB3 H 1 2.959 0.02 . 2 . . 2330 . A 138 ASN HB3 . 34115 1 1494 . 1 1 138 138 ASN HD21 H 1 7.107 0.02 . 1 . . 2331 . A 138 ASN HD21 . 34115 1 1495 . 1 1 138 138 ASN HD22 H 1 7.546 0.02 . 1 . . 2332 . A 138 ASN HD22 . 34115 1 1496 . 1 1 138 138 ASN C C 13 175.722 0.3 . 1 . . 121 . A 138 ASN C . 34115 1 1497 . 1 1 138 138 ASN CA C 13 54.723 0.3 . 1 . . 120 . A 138 ASN CA . 34115 1 1498 . 1 1 138 138 ASN CB C 13 39.652 0.3 . 1 . . 119 . A 138 ASN CB . 34115 1 1499 . 1 1 138 138 ASN N N 15 121.580 0.3 . 1 . . 2433 . A 138 ASN N . 34115 1 1500 . 1 1 139 139 GLU H H 1 8.428 0.02 . 1 . . 2431 . A 139 GLU H . 34115 1 1501 . 1 1 139 139 GLU HA H 1 4.264 0.02 . 1 . . 706 . A 139 GLU HA . 34115 1 1502 . 1 1 139 139 GLU HB2 H 1 2.049 0.02 . 2 . . 708 . A 139 GLU HB2 . 34115 1 1503 . 1 1 139 139 GLU HB3 H 1 2.284 0.02 . 2 . . 2336 . A 139 GLU HB3 . 34115 1 1504 . 1 1 139 139 GLU HG2 H 1 2.303 0.02 . 2 . . 707 . A 139 GLU HG2 . 34115 1 1505 . 1 1 139 139 GLU HG3 H 1 2.211 0.02 . 2 . . 2341 . A 139 GLU HG3 . 34115 1 1506 . 1 1 139 139 GLU C C 13 177.961 0.3 . 1 . . 252 . A 139 GLU C . 34115 1 1507 . 1 1 139 139 GLU CA C 13 58.400 0.012 . 1 . . 253 . A 139 GLU CA . 34115 1 1508 . 1 1 139 139 GLU CB C 13 28.723 0.012 . 1 . . 254 . A 139 GLU CB . 34115 1 1509 . 1 1 139 139 GLU CG C 13 37.208 0.3 . 1 . . 2333 . A 139 GLU CG . 34115 1 1510 . 1 1 139 139 GLU N N 15 120.782 0.3 . 1 . . 2432 . A 139 GLU N . 34115 1 1511 . 1 1 140 140 GLU H H 1 8.409 0.005 . 1 . . 714 . A 140 GLU H . 34115 1 1512 . 1 1 140 140 GLU HA H 1 4.349 0.02 . 1 . . 716 . A 140 GLU HA . 34115 1 1513 . 1 1 140 140 GLU HB2 H 1 1.901 0.02 . 2 . . 718 . A 140 GLU HB2 . 34115 1 1514 . 1 1 140 140 GLU HB3 H 1 2.123 0.02 . 2 . . 2337 . A 140 GLU HB3 . 34115 1 1515 . 1 1 140 140 GLU HG2 H 1 2.287 0.02 . 2 . . 717 . A 140 GLU HG2 . 34115 1 1516 . 1 1 140 140 GLU HG3 H 1 2.167 0.02 . 2 . . 2340 . A 140 GLU HG3 . 34115 1 1517 . 1 1 140 140 GLU C C 13 178.439 0.3 . 1 . . 193 . A 140 GLU C . 34115 1 1518 . 1 1 140 140 GLU CA C 13 58.784 0.3 . 1 . . 192 . A 140 GLU CA . 34115 1 1519 . 1 1 140 140 GLU CB C 13 28.681 0.3 . 1 . . 191 . A 140 GLU CB . 34115 1 1520 . 1 1 140 140 GLU CG C 13 36.292 0.3 . 1 . . 2334 . A 140 GLU CG . 34115 1 1521 . 1 1 140 140 GLU N N 15 120.586 0.002 . 1 . . 715 . A 140 GLU N . 34115 1 1522 . 1 1 141 141 GLU H H 1 8.340 0.002 . 1 . . 709 . A 141 GLU H . 34115 1 1523 . 1 1 141 141 GLU HA H 1 4.395 0.02 . 1 . . 719 . A 141 GLU HA . 34115 1 1524 . 1 1 141 141 GLU HB2 H 1 1.852 0.02 . 2 . . 721 . A 141 GLU HB2 . 34115 1 1525 . 1 1 141 141 GLU HB3 H 1 2.065 0.02 . 2 . . 2338 . A 141 GLU HB3 . 34115 1 1526 . 1 1 141 141 GLU HG2 H 1 2.334 0.02 . 2 . . 720 . A 141 GLU HG2 . 34115 1 1527 . 1 1 141 141 GLU HG3 H 1 2.460 0.02 . 2 . . 2339 . A 141 GLU HG3 . 34115 1 1528 . 1 1 141 141 GLU C C 13 177.794 0.3 . 1 . . 411 . A 141 GLU C . 34115 1 1529 . 1 1 141 141 GLU CA C 13 57.618 0.3 . 1 . . 409 . A 141 GLU CA . 34115 1 1530 . 1 1 141 141 GLU CB C 13 29.642 0.3 . 1 . . 410 . A 141 GLU CB . 34115 1 1531 . 1 1 141 141 GLU CG C 13 35.798 0.3 . 1 . . 2335 . A 141 GLU CG . 34115 1 1532 . 1 1 141 141 GLU N N 15 119.680 0.3 . 1 . . 2520 . A 141 GLU N . 34115 1 1533 . 1 1 142 142 ILE H H 1 8.477 0.014 . 1 . . 12 . A 142 ILE H . 34115 1 1534 . 1 1 142 142 ILE HA H 1 4.157 0.02 . 1 . . 722 . A 142 ILE HA . 34115 1 1535 . 1 1 142 142 ILE HB H 1 1.985 0.02 . 1 . . 723 . A 142 ILE HB . 34115 1 1536 . 1 1 142 142 ILE HG12 H 1 2.035 0.02 . 2 . . 2343 . A 142 ILE HG12 . 34115 1 1537 . 1 1 142 142 ILE HG13 H 1 1.727 0.02 . 2 . . 2344 . A 142 ILE HG13 . 34115 1 1538 . 1 1 142 142 ILE HG21 H 1 0.577 0.02 . 1 . . 1813 . A 142 ILE HG21 . 34115 1 1539 . 1 1 142 142 ILE HG22 H 1 0.577 0.02 . 1 . . 1813 . A 142 ILE HG22 . 34115 1 1540 . 1 1 142 142 ILE HG23 H 1 0.577 0.02 . 1 . . 1813 . A 142 ILE HG23 . 34115 1 1541 . 1 1 142 142 ILE HD11 H 1 0.777 0.02 . 1 . . 1807 . A 142 ILE HD11 . 34115 1 1542 . 1 1 142 142 ILE HD12 H 1 0.777 0.02 . 1 . . 1807 . A 142 ILE HD12 . 34115 1 1543 . 1 1 142 142 ILE HD13 H 1 0.777 0.02 . 1 . . 1807 . A 142 ILE HD13 . 34115 1 1544 . 1 1 142 142 ILE C C 13 178.428 0.3 . 1 . . 135 . A 142 ILE C . 34115 1 1545 . 1 1 142 142 ILE CA C 13 64.073 0.3 . 1 . . 771 . A 142 ILE CA . 34115 1 1546 . 1 1 142 142 ILE CB C 13 36.192 0.3 . 1 . . 772 . A 142 ILE CB . 34115 1 1547 . 1 1 142 142 ILE CG1 C 13 31.286 0.3 . 1 . . 2342 . A 142 ILE CG1 . 34115 1 1548 . 1 1 142 142 ILE CG2 C 13 14.965 0.3 . 1 . . 1814 . A 142 ILE CG2 . 34115 1 1549 . 1 1 142 142 ILE CD1 C 13 10.911 0.3 . 1 . . 1808 . A 142 ILE CD1 . 34115 1 1550 . 1 1 142 142 ILE N N 15 117.770 0.039 . 1 . . 13 . A 142 ILE N . 34115 1 1551 . 1 1 143 143 LYS H H 1 7.794 0.02 . 1 . . 2470 . A 143 LYS H . 34115 1 1552 . 1 1 143 143 LYS HA H 1 4.064 0.02 . 1 . . 724 . A 143 LYS HA . 34115 1 1553 . 1 1 143 143 LYS HB2 H 1 1.478 0.02 . 2 . . 2348 . A 143 LYS HB2 . 34115 1 1554 . 1 1 143 143 LYS HB3 H 1 1.683 0.02 . 2 . . 2349 . A 143 LYS HB3 . 34115 1 1555 . 1 1 143 143 LYS HG2 H 1 1.214 0.02 . 2 . . 2350 . A 143 LYS HG2 . 34115 1 1556 . 1 1 143 143 LYS HG3 H 1 1.405 0.02 . 2 . . 2351 . A 143 LYS HG3 . 34115 1 1557 . 1 1 143 143 LYS HD2 H 1 1.815 0.02 . 2 . . 2352 . A 143 LYS HD2 . 34115 1 1558 . 1 1 143 143 LYS HD3 H 1 1.727 0.02 . 2 . . 2353 . A 143 LYS HD3 . 34115 1 1559 . 1 1 143 143 LYS HE2 H 1 2.797 0.02 . 2 . . 2354 . A 143 LYS HE2 . 34115 1 1560 . 1 1 143 143 LYS HE3 H 1 2.929 0.02 . 2 . . 2355 . A 143 LYS HE3 . 34115 1 1561 . 1 1 143 143 LYS C C 13 177.194 0.3 . 1 . . 769 . A 143 LYS C . 34115 1 1562 . 1 1 143 143 LYS CA C 13 59.074 0.3 . 1 . . 412 . A 143 LYS CA . 34115 1 1563 . 1 1 143 143 LYS CB C 13 33.946 0.3 . 1 . . 413 . A 143 LYS CB . 34115 1 1564 . 1 1 143 143 LYS CG C 13 26.352 0.3 . 1 . . 2345 . A 143 LYS CG . 34115 1 1565 . 1 1 143 143 LYS CD C 13 32.062 0.3 . 1 . . 2346 . A 143 LYS CD . 34115 1 1566 . 1 1 143 143 LYS CE C 13 42.143 0.3 . 1 . . 2347 . A 143 LYS CE . 34115 1 1567 . 1 1 143 143 LYS N N 15 119.365 0.3 . 1 . . 2471 . A 143 LYS N . 34115 1 1568 . 1 1 144 144 ASN H H 1 8.263 0.02 . 1 . . 767 . A 144 ASN H . 34115 1 1569 . 1 1 144 144 ASN HA H 1 4.619 0.02 . 1 . . 725 . A 144 ASN HA . 34115 1 1570 . 1 1 144 144 ASN HB2 H 1 2.782 0.02 . 2 . . 726 . A 144 ASN HB2 . 34115 1 1571 . 1 1 144 144 ASN HB3 H 1 3.017 0.02 . 2 . . 2356 . A 144 ASN HB3 . 34115 1 1572 . 1 1 144 144 ASN HD21 H 1 7.444 0.02 . 1 . . 2357 . A 144 ASN HD21 . 34115 1 1573 . 1 1 144 144 ASN HD22 H 1 6.989 0.02 . 1 . . 2358 . A 144 ASN HD22 . 34115 1 1574 . 1 1 144 144 ASN C C 13 177.795 0.3 . 1 . . 770 . A 144 ASN C . 34115 1 1575 . 1 1 144 144 ASN CA C 13 56.979 0.3 . 1 . . 407 . A 144 ASN CA . 34115 1 1576 . 1 1 144 144 ASN CB C 13 38.985 0.3 . 1 . . 408 . A 144 ASN CB . 34115 1 1577 . 1 1 144 144 ASN N N 15 118.311 0.3 . 1 . . 768 . A 144 ASN N . 34115 1 1578 . 1 1 145 145 LEU H H 1 8.249 0.006 . 1 . . 603 . A 145 LEU H . 34115 1 1579 . 1 1 145 145 LEU HA H 1 4.261 0.02 . 1 . . 727 . A 145 LEU HA . 34115 1 1580 . 1 1 145 145 LEU HB2 H 1 1.376 0.02 . 2 . . 2359 . A 145 LEU HB2 . 34115 1 1581 . 1 1 145 145 LEU HB3 H 1 2.167 0.02 . 2 . . 2360 . A 145 LEU HB3 . 34115 1 1582 . 1 1 145 145 LEU HG H 1 1.185 0.02 . 1 . . 2361 . A 145 LEU HG . 34115 1 1583 . 1 1 145 145 LEU HD11 H 1 1.057 0.05 . 2 . . 541 . A 145 LEU HD11 . 34115 1 1584 . 1 1 145 145 LEU HD12 H 1 1.057 0.05 . 2 . . 541 . A 145 LEU HD12 . 34115 1 1585 . 1 1 145 145 LEU HD13 H 1 1.057 0.05 . 2 . . 541 . A 145 LEU HD13 . 34115 1 1586 . 1 1 145 145 LEU HD21 H 1 0.877 0.02 . 2 . . 728 . A 145 LEU HD21 . 34115 1 1587 . 1 1 145 145 LEU HD22 H 1 0.877 0.02 . 2 . . 728 . A 145 LEU HD22 . 34115 1 1588 . 1 1 145 145 LEU HD23 H 1 0.877 0.02 . 2 . . 728 . A 145 LEU HD23 . 34115 1 1589 . 1 1 145 145 LEU C C 13 178.910 0.3 . 1 . . 319 . A 145 LEU C . 34115 1 1590 . 1 1 145 145 LEU CA C 13 57.828 0.3 . 1 . . 317 . A 145 LEU CA . 34115 1 1591 . 1 1 145 145 LEU CB C 13 41.047 0.3 . 1 . . 318 . A 145 LEU CB . 34115 1 1592 . 1 1 145 145 LEU CG C 13 25.224 0.3 . 1 . . 2362 . A 145 LEU CG . 34115 1 1593 . 1 1 145 145 LEU CD1 C 13 22.071 0.007 . 2 . . 542 . A 145 LEU CD1 . 34115 1 1594 . 1 1 145 145 LEU CD2 C 13 22.731 0.3 . 2 . . 729 . A 145 LEU CD2 . 34115 1 1595 . 1 1 145 145 LEU N N 15 120.850 0.037 . 1 . . 540 . A 145 LEU N . 34115 1 1596 . 1 1 146 146 GLU H H 1 8.600 0.02 . 1 . . 2437 . A 146 GLU H . 34115 1 1597 . 1 1 146 146 GLU HA H 1 4.058 0.02 . 1 . . 2364 . A 146 GLU HA . 34115 1 1598 . 1 1 146 146 GLU HB2 H 1 2.286 0.02 . 2 . . 731 . A 146 GLU HB2 . 34115 1 1599 . 1 1 146 146 GLU HB3 H 1 2.284 0.02 . 2 . . 2366 . A 146 GLU HB3 . 34115 1 1600 . 1 1 146 146 GLU HG2 H 1 2.491 0.02 . 2 . . 730 . A 146 GLU HG2 . 34115 1 1601 . 1 1 146 146 GLU HG3 H 1 2.592 0.02 . 2 . . 2367 . A 146 GLU HG3 . 34115 1 1602 . 1 1 146 146 GLU C C 13 176.570 0.3 . 1 . . 170 . A 146 GLU C . 34115 1 1603 . 1 1 146 146 GLU CA C 13 57.312 0.005 . 1 . . 169 . A 146 GLU CA . 34115 1 1604 . 1 1 146 146 GLU CB C 13 27.268 0.3 . 1 . . 2363 . A 146 GLU CB . 34115 1 1605 . 1 1 146 146 GLU CG C 13 35.869 0.3 . 1 . . 2365 . A 146 GLU CG . 34115 1 1606 . 1 1 146 146 GLU N N 15 118.095 0.3 . 1 . . 2438 . A 146 GLU N . 34115 1 1607 . 1 1 147 147 LYS H H 1 8.031 0.007 . 1 . . 59 . A 147 LYS H . 34115 1 1608 . 1 1 147 147 LYS HA H 1 4.262 0.02 . 1 . . 732 . A 147 LYS HA . 34115 1 1609 . 1 1 147 147 LYS HB2 H 1 1.669 0.02 . 2 . . 2382 . A 147 LYS HB2 . 34115 1 1610 . 1 1 147 147 LYS HB3 H 1 1.508 0.02 . 2 . . 2383 . A 147 LYS HB3 . 34115 1 1611 . 1 1 147 147 LYS HG2 H 1 1.332 0.02 . 2 . . 2384 . A 147 LYS HG2 . 34115 1 1612 . 1 1 147 147 LYS HG3 H 1 1.170 0.02 . 2 . . 2385 . A 147 LYS HG3 . 34115 1 1613 . 1 1 147 147 LYS HD2 H 1 1.845 0.02 . 2 . . 2386 . A 147 LYS HD2 . 34115 1 1614 . 1 1 147 147 LYS HD3 H 1 1.727 0.02 . 2 . . 2387 . A 147 LYS HD3 . 34115 1 1615 . 1 1 147 147 LYS HE2 H 1 2.783 0.02 . 2 . . 2388 . A 147 LYS HE2 . 34115 1 1616 . 1 1 147 147 LYS HE3 H 1 3.003 0.02 . 2 . . 2389 . A 147 LYS HE3 . 34115 1 1617 . 1 1 147 147 LYS C C 13 178.889 0.3 . 1 . . 228 . A 147 LYS C . 34115 1 1618 . 1 1 147 147 LYS CA C 13 58.998 0.3 . 1 . . 226 . A 147 LYS CA . 34115 1 1619 . 1 1 147 147 LYS CB C 13 31.412 0.3 . 1 . . 227 . A 147 LYS CB . 34115 1 1620 . 1 1 147 147 LYS CG C 13 27.339 0.3 . 1 . . 2371 . A 147 LYS CG . 34115 1 1621 . 1 1 147 147 LYS CE C 13 43.271 0.3 . 1 . . 2372 . A 147 LYS CE . 34115 1 1622 . 1 1 147 147 LYS N N 15 120.120 0.024 . 1 . . 60 . A 147 LYS N . 34115 1 1623 . 1 1 148 148 GLU H H 1 8.161 0.005 . 1 . . 43 . A 148 GLU H . 34115 1 1624 . 1 1 148 148 GLU HA H 1 4.376 0.005 . 1 . . 733 . A 148 GLU HA . 34115 1 1625 . 1 1 148 148 GLU HB2 H 1 2.189 0.02 . 2 . . 736 . A 148 GLU HB2 . 34115 1 1626 . 1 1 148 148 GLU HB3 H 1 2.343 0.02 . 2 . . 2369 . A 148 GLU HB3 . 34115 1 1627 . 1 1 148 148 GLU HG2 H 1 2.422 0.004 . 2 . . 735 . A 148 GLU HG2 . 34115 1 1628 . 1 1 148 148 GLU HG3 H 1 2.548 0.02 . 2 . . 2370 . A 148 GLU HG3 . 34115 1 1629 . 1 1 148 148 GLU C C 13 178.941 0.3 . 1 . . 221 . A 148 GLU C . 34115 1 1630 . 1 1 148 148 GLU CA C 13 58.397 0.017 . 1 . . 222 . A 148 GLU CA . 34115 1 1631 . 1 1 148 148 GLU CB C 13 27.721 0.011 . 1 . . 223 . A 148 GLU CB . 34115 1 1632 . 1 1 148 148 GLU CG C 13 36.644 0.3 . 1 . . 2368 . A 148 GLU CG . 34115 1 1633 . 1 1 148 148 GLU N N 15 119.057 0.026 . 1 . . 44 . A 148 GLU N . 34115 1 1634 . 1 1 149 149 LEU H H 1 8.517 0.026 . 1 . . 604 . A 149 LEU H . 34115 1 1635 . 1 1 149 149 LEU HA H 1 4.276 0.006 . 1 . . 734 . A 149 LEU HA . 34115 1 1636 . 1 1 149 149 LEU HB2 H 1 1.989 0.02 . 2 . . 425 . A 149 LEU HB2 . 34115 1 1637 . 1 1 149 149 LEU HB3 H 1 2.123 0.02 . 2 . . 2409 . A 149 LEU HB3 . 34115 1 1638 . 1 1 149 149 LEU HG H 1 1.819 0.02 . 1 . . 426 . A 149 LEU HG . 34115 1 1639 . 1 1 149 149 LEU HD11 H 1 0.844 0.02 . 2 . . 1893 . A 149 LEU HD11 . 34115 1 1640 . 1 1 149 149 LEU HD12 H 1 0.844 0.02 . 2 . . 1893 . A 149 LEU HD12 . 34115 1 1641 . 1 1 149 149 LEU HD13 H 1 0.844 0.02 . 2 . . 1893 . A 149 LEU HD13 . 34115 1 1642 . 1 1 149 149 LEU HD21 H 1 0.910 0.02 . 2 . . 1895 . A 149 LEU HD21 . 34115 1 1643 . 1 1 149 149 LEU HD22 H 1 0.910 0.02 . 2 . . 1895 . A 149 LEU HD22 . 34115 1 1644 . 1 1 149 149 LEU HD23 H 1 0.910 0.02 . 2 . . 1895 . A 149 LEU HD23 . 34115 1 1645 . 1 1 149 149 LEU C C 13 178.625 0.3 . 1 . . 171 . A 149 LEU C . 34115 1 1646 . 1 1 149 149 LEU CA C 13 57.630 0.012 . 1 . . 172 . A 149 LEU CA . 34115 1 1647 . 1 1 149 149 LEU CB C 13 40.676 0.0 . 1 . . 173 . A 149 LEU CB . 34115 1 1648 . 1 1 149 149 LEU CD1 C 13 21.199 0.3 . 2 . . 1894 . A 149 LEU CD1 . 34115 1 1649 . 1 1 149 149 LEU CD2 C 13 22.642 0.3 . 2 . . 1896 . A 149 LEU CD2 . 34115 1 1650 . 1 1 149 149 LEU N N 15 119.167 0.021 . 1 . . 31 . A 149 LEU N . 34115 1 1651 . 1 1 150 150 SER H H 1 8.233 0.02 . 1 . . 2445 . A 150 SER H . 34115 1 1652 . 1 1 150 150 SER HA H 1 4.375 0.0 . 1 . . 737 . A 150 SER HA . 34115 1 1653 . 1 1 150 150 SER HB2 H 1 4.204 0.02 . 2 . . 738 . A 150 SER HB2 . 34115 1 1654 . 1 1 150 150 SER HB3 H 1 4.307 0.02 . 2 . . 2410 . A 150 SER HB3 . 34115 1 1655 . 1 1 150 150 SER C C 13 177.142 0.3 . 1 . . 292 . A 150 SER C . 34115 1 1656 . 1 1 150 150 SER CA C 13 61.440 0.018 . 1 . . 104 . A 150 SER CA . 34115 1 1657 . 1 1 150 150 SER CB C 13 62.449 0.008 . 1 . . 105 . A 150 SER CB . 34115 1 1658 . 1 1 150 150 SER N N 15 114.579 0.3 . 1 . . 2446 . A 150 SER N . 34115 1 1659 . 1 1 151 151 ASP H H 1 8.350 0.02 . 1 . . 2441 . A 151 ASP H . 34115 1 1660 . 1 1 151 151 ASP HA H 1 4.205 0.02 . 1 . . 740 . A 151 ASP HA . 34115 1 1661 . 1 1 151 151 ASP HB2 H 1 2.865 0.02 . 2 . . 739 . A 151 ASP HB2 . 34115 1 1662 . 1 1 151 151 ASP HB3 H 1 2.695 0.02 . 2 . . 2411 . A 151 ASP HB3 . 34115 1 1663 . 1 1 151 151 ASP C C 13 179.007 0.3 . 1 . . 262 . A 151 ASP C . 34115 1 1664 . 1 1 151 151 ASP CA C 13 56.986 0.3 . 1 . . 261 . A 151 ASP CA . 34115 1 1665 . 1 1 151 151 ASP CB C 13 40.221 0.3 . 1 . . 263 . A 151 ASP CB . 34115 1 1666 . 1 1 151 151 ASP N N 15 121.866 0.3 . 1 . . 2442 . A 151 ASP N . 34115 1 1667 . 1 1 152 152 LEU H H 1 8.297 0.005 . 1 . . 605 . A 152 LEU H . 34115 1 1668 . 1 1 152 152 LEU HA H 1 3.987 0.02 . 1 . . 741 . A 152 LEU HA . 34115 1 1669 . 1 1 152 152 LEU HB2 H 1 1.933 0.02 . 2 . . 2412 . A 152 LEU HB2 . 34115 1 1670 . 1 1 152 152 LEU HB3 H 1 1.581 0.02 . 2 . . 2413 . A 152 LEU HB3 . 34115 1 1671 . 1 1 152 152 LEU HG H 1 1.654 0.02 . 1 . . 742 . A 152 LEU HG . 34115 1 1672 . 1 1 152 152 LEU HD11 H 1 0.658 0.02 . 2 . . 1881 . A 152 LEU HD11 . 34115 1 1673 . 1 1 152 152 LEU HD12 H 1 0.658 0.02 . 2 . . 1881 . A 152 LEU HD12 . 34115 1 1674 . 1 1 152 152 LEU HD13 H 1 0.658 0.02 . 2 . . 1881 . A 152 LEU HD13 . 34115 1 1675 . 1 1 152 152 LEU HD21 H 1 0.785 0.02 . 2 . . 1883 . A 152 LEU HD21 . 34115 1 1676 . 1 1 152 152 LEU HD22 H 1 0.785 0.02 . 2 . . 1883 . A 152 LEU HD22 . 34115 1 1677 . 1 1 152 152 LEU HD23 H 1 0.785 0.02 . 2 . . 1883 . A 152 LEU HD23 . 34115 1 1678 . 1 1 152 152 LEU C C 13 178.802 0.3 . 1 . . 279 . A 152 LEU C . 34115 1 1679 . 1 1 152 152 LEU CA C 13 57.854 0.002 . 1 . . 277 . A 152 LEU CA . 34115 1 1680 . 1 1 152 152 LEU CB C 13 41.038 0.022 . 1 . . 278 . A 152 LEU CB . 34115 1 1681 . 1 1 152 152 LEU CG C 13 28.466 0.3 . 1 . . 2414 . A 152 LEU CG . 34115 1 1682 . 1 1 152 152 LEU CD1 C 13 21.073 0.3 . 2 . . 1882 . A 152 LEU CD1 . 34115 1 1683 . 1 1 152 152 LEU CD2 C 13 22.321 0.3 . 2 . . 1884 . A 152 LEU CD2 . 34115 1 1684 . 1 1 152 152 LEU N N 15 122.109 0.054 . 1 . . 276 . A 152 LEU N . 34115 1 1685 . 1 1 153 153 GLU H H 1 8.441 0.02 . 1 . . 2439 . A 153 GLU H . 34115 1 1686 . 1 1 153 153 GLU HA H 1 4.016 0.02 . 1 . . 743 . A 153 GLU HA . 34115 1 1687 . 1 1 153 153 GLU HB2 H 1 2.062 0.02 . 2 . . 745 . A 153 GLU HB2 . 34115 1 1688 . 1 1 153 153 GLU HB3 H 1 2.152 0.02 . 2 . . 2416 . A 153 GLU HB3 . 34115 1 1689 . 1 1 153 153 GLU HG2 H 1 2.376 0.02 . 2 . . 744 . A 153 GLU HG2 . 34115 1 1690 . 1 1 153 153 GLU HG3 H 1 2.460 0.02 . 2 . . 2417 . A 153 GLU HG3 . 34115 1 1691 . 1 1 153 153 GLU C C 13 178.536 0.3 . 1 . . 132 . A 153 GLU C . 34115 1 1692 . 1 1 153 153 GLU CA C 13 59.436 0.3 . 1 . . 133 . A 153 GLU CA . 34115 1 1693 . 1 1 153 153 GLU CB C 13 27.786 0.3 . 1 . . 134 . A 153 GLU CB . 34115 1 1694 . 1 1 153 153 GLU CG C 13 37.278 0.3 . 1 . . 2415 . A 153 GLU CG . 34115 1 1695 . 1 1 153 153 GLU N N 15 122.251 0.3 . 1 . . 2440 . A 153 GLU N . 34115 1 1696 . 1 1 154 154 ASN H H 1 8.142 0.02 . 1 . . 2448 . A 154 ASN H . 34115 1 1697 . 1 1 154 154 ASN HA H 1 4.247 0.02 . 1 . . 746 . A 154 ASN HA . 34115 1 1698 . 1 1 154 154 ASN HB2 H 1 3.024 0.003 . 2 . . 747 . A 154 ASN HB2 . 34115 1 1699 . 1 1 154 154 ASN HB3 H 1 2.915 0.02 . 2 . . 2418 . A 154 ASN HB3 . 34115 1 1700 . 1 1 154 154 ASN HD21 H 1 7.561 0.02 . 1 . . 2419 . A 154 ASN HD21 . 34115 1 1701 . 1 1 154 154 ASN HD22 H 1 7.209 0.02 . 1 . . 2420 . A 154 ASN HD22 . 34115 1 1702 . 1 1 154 154 ASN C C 13 177.495 0.3 . 1 . . 118 . A 154 ASN C . 34115 1 1703 . 1 1 154 154 ASN CA C 13 55.530 0.3 . 1 . . 117 . A 154 ASN CA . 34115 1 1704 . 1 1 154 154 ASN CB C 13 38.499 0.3 . 1 . . 116 . A 154 ASN CB . 34115 1 1705 . 1 1 154 154 ASN N N 15 116.741 0.3 . 1 . . 2449 . A 154 ASN N . 34115 1 1706 . 1 1 155 155 LYS H H 1 8.132 0.01 . 1 . . 3 . A 155 LYS H . 34115 1 1707 . 1 1 155 155 LYS HA H 1 4.300 0.02 . 1 . . 458 . A 155 LYS HA . 34115 1 1708 . 1 1 155 155 LYS HB2 H 1 1.796 0.02 . 2 . . 749 . A 155 LYS HB2 . 34115 1 1709 . 1 1 155 155 LYS HB3 H 1 1.874 0.02 . 2 . . 2390 . A 155 LYS HB3 . 34115 1 1710 . 1 1 155 155 LYS HG2 H 1 1.493 0.02 . 2 . . 2391 . A 155 LYS HG2 . 34115 1 1711 . 1 1 155 155 LYS HG3 H 1 1.346 0.02 . 2 . . 2392 . A 155 LYS HG3 . 34115 1 1712 . 1 1 155 155 LYS HD2 H 1 1.656 0.02 . 2 . . 750 . A 155 LYS HD2 . 34115 1 1713 . 1 1 155 155 LYS HD3 H 1 1.786 0.02 . 2 . . 2393 . A 155 LYS HD3 . 34115 1 1714 . 1 1 155 155 LYS HE2 H 1 3.137 0.02 . 2 . . 748 . A 155 LYS HE2 . 34115 1 1715 . 1 1 155 155 LYS HE3 H 1 3.266 0.02 . 2 . . 2394 . A 155 LYS HE3 . 34115 1 1716 . 1 1 155 155 LYS C C 13 178.338 0.3 . 1 . . 208 . A 155 LYS C . 34115 1 1717 . 1 1 155 155 LYS CA C 13 58.285 0.3 . 1 . . 207 . A 155 LYS CA . 34115 1 1718 . 1 1 155 155 LYS CB C 13 32.159 0.3 . 1 . . 206 . A 155 LYS CB . 34115 1 1719 . 1 1 155 155 LYS CG C 13 23.814 0.3 . 1 . . 2373 . A 155 LYS CG . 34115 1 1720 . 1 1 155 155 LYS CD C 13 31.850 0.3 . 1 . . 2374 . A 155 LYS CD . 34115 1 1721 . 1 1 155 155 LYS CE C 13 42.217 0.3 . 1 . . 2375 . A 155 LYS CE . 34115 1 1722 . 1 1 155 155 LYS N N 15 119.466 0.018 . 1 . . 4 . A 155 LYS N . 34115 1 1723 . 1 1 156 156 LEU H H 1 8.138 0.01 . 1 . . 74 . A 156 LEU H . 34115 1 1724 . 1 1 156 156 LEU HA H 1 3.999 0.02 . 1 . . 2425 . A 156 LEU HA . 34115 1 1725 . 1 1 156 156 LEU HB2 H 1 1.983 0.02 . 2 . . 415 . A 156 LEU HB2 . 34115 1 1726 . 1 1 156 156 LEU HB3 H 1 2.152 0.02 . 2 . . 2422 . A 156 LEU HB3 . 34115 1 1727 . 1 1 156 156 LEU HD11 H 1 0.833 0.02 . 2 . . 1905 . A 156 LEU HD11 . 34115 1 1728 . 1 1 156 156 LEU HD12 H 1 0.833 0.02 . 2 . . 1905 . A 156 LEU HD12 . 34115 1 1729 . 1 1 156 156 LEU HD13 H 1 0.833 0.02 . 2 . . 1905 . A 156 LEU HD13 . 34115 1 1730 . 1 1 156 156 LEU HD21 H 1 0.791 0.02 . 2 . . 1907 . A 156 LEU HD21 . 34115 1 1731 . 1 1 156 156 LEU HD22 H 1 0.791 0.02 . 2 . . 1907 . A 156 LEU HD22 . 34115 1 1732 . 1 1 156 156 LEU HD23 H 1 0.791 0.02 . 2 . . 1907 . A 156 LEU HD23 . 34115 1 1733 . 1 1 156 156 LEU C C 13 179.286 0.3 . 1 . . 2424 . A 156 LEU C . 34115 1 1734 . 1 1 156 156 LEU CA C 13 56.122 0.3 . 1 . . 152 . A 156 LEU CA . 34115 1 1735 . 1 1 156 156 LEU CB C 13 41.406 0.3 . 1 . . 153 . A 156 LEU CB . 34115 1 1736 . 1 1 156 156 LEU CG C 13 24.589 0.3 . 1 . . 2421 . A 156 LEU CG . 34115 1 1737 . 1 1 156 156 LEU CD1 C 13 21.477 0.3 . 2 . . 1906 . A 156 LEU CD1 . 34115 1 1738 . 1 1 156 156 LEU CD2 C 13 22.997 0.3 . 2 . . 1908 . A 156 LEU CD2 . 34115 1 1739 . 1 1 156 156 LEU N N 15 117.860 0.037 . 1 . . 75 . A 156 LEU N . 34115 1 1740 . 1 1 157 157 GLY H H 1 8.103 0.002 . 1 . . 414 . A 157 GLY H . 34115 1 1741 . 1 1 157 157 GLY HA2 H 1 4.139 0.02 . 2 . . 460 . A 157 GLY HA2 . 34115 1 1742 . 1 1 157 157 GLY HA3 H 1 4.292 0.02 . 2 . . 2423 . A 157 GLY HA3 . 34115 1 1743 . 1 1 157 157 GLY C C 13 174.587 0.3 . 1 . . 87 . A 157 GLY C . 34115 1 1744 . 1 1 157 157 GLY CA C 13 45.779 0.3 . 1 . . 86 . A 157 GLY CA . 34115 1 1745 . 1 1 157 157 GLY N N 15 105.718 0.091 . 1 . . 62 . A 157 GLY N . 34115 1 1746 . 1 1 158 158 LYS H H 1 7.905 0.02 . 1 . . 2472 . A 158 LYS H . 34115 1 1747 . 1 1 158 158 LYS HA H 1 4.490 0.02 . 1 . . 751 . A 158 LYS HA . 34115 1 1748 . 1 1 158 158 LYS HB2 H 1 1.938 0.02 . 2 . . 752 . A 158 LYS HB2 . 34115 1 1749 . 1 1 158 158 LYS HB3 H 1 2.065 0.02 . 2 . . 2395 . A 158 LYS HB3 . 34115 1 1750 . 1 1 158 158 LYS HG2 H 1 1.346 0.02 . 2 . . 2397 . A 158 LYS HG2 . 34115 1 1751 . 1 1 158 158 LYS HG3 H 1 0.995 0.02 . 2 . . 2400 . A 158 LYS HG3 . 34115 1 1752 . 1 1 158 158 LYS HD2 H 1 1.639 0.02 . 2 . . 2402 . A 158 LYS HD2 . 34115 1 1753 . 1 1 158 158 LYS HD3 H 1 1.815 0.02 . 2 . . 2404 . A 158 LYS HD3 . 34115 1 1754 . 1 1 158 158 LYS HE2 H 1 2.944 0.02 . 2 . . 2405 . A 158 LYS HE2 . 34115 1 1755 . 1 1 158 158 LYS HE3 H 1 3.486 0.02 . 2 . . 2407 . A 158 LYS HE3 . 34115 1 1756 . 1 1 158 158 LYS C C 13 176.814 0.3 . 1 . . 198 . A 158 LYS C . 34115 1 1757 . 1 1 158 158 LYS CA C 13 56.168 0.3 . 1 . . 197 . A 158 LYS CA . 34115 1 1758 . 1 1 158 158 LYS CB C 13 32.045 0.3 . 1 . . 196 . A 158 LYS CB . 34115 1 1759 . 1 1 158 158 LYS CG C 13 26.563 0.3 . 1 . . 2376 . A 158 LYS CG . 34115 1 1760 . 1 1 158 158 LYS CD C 13 31.991 0.3 . 1 . . 2377 . A 158 LYS CD . 34115 1 1761 . 1 1 158 158 LYS CE C 13 43.905 0.3 . 1 . . 2378 . A 158 LYS CE . 34115 1 1762 . 1 1 158 158 LYS N N 15 119.161 0.3 . 1 . . 2473 . A 158 LYS N . 34115 1 1763 . 1 1 159 159 LYS H H 1 8.120 0.002 . 1 . . 600 . A 159 LYS H . 34115 1 1764 . 1 1 159 159 LYS HA H 1 4.386 0.02 . 1 . . 753 . A 159 LYS HA . 34115 1 1765 . 1 1 159 159 LYS HB2 H 1 1.873 0.02 . 2 . . 754 . A 159 LYS HB2 . 34115 1 1766 . 1 1 159 159 LYS HB3 H 1 2.314 0.02 . 2 . . 2396 . A 159 LYS HB3 . 34115 1 1767 . 1 1 159 159 LYS HG2 H 1 1.112 0.02 . 2 . . 2398 . A 159 LYS HG2 . 34115 1 1768 . 1 1 159 159 LYS HG3 H 1 1.229 0.02 . 2 . . 2399 . A 159 LYS HG3 . 34115 1 1769 . 1 1 159 159 LYS HD2 H 1 1.845 0.02 . 2 . . 2401 . A 159 LYS HD2 . 34115 1 1770 . 1 1 159 159 LYS HD3 H 1 1.947 0.02 . 2 . . 2403 . A 159 LYS HD3 . 34115 1 1771 . 1 1 159 159 LYS HE2 H 1 3.149 0.02 . 2 . . 2406 . A 159 LYS HE2 . 34115 1 1772 . 1 1 159 159 LYS HE3 H 1 3.091 0.02 . 2 . . 2408 . A 159 LYS HE3 . 34115 1 1773 . 1 1 159 159 LYS C C 13 176.135 0.3 . 1 . . 305 . A 159 LYS C . 34115 1 1774 . 1 1 159 159 LYS CA C 13 56.177 0.3 . 1 . . 306 . A 159 LYS CA . 34115 1 1775 . 1 1 159 159 LYS CB C 13 32.025 0.3 . 1 . . 307 . A 159 LYS CB . 34115 1 1776 . 1 1 159 159 LYS CG C 13 27.198 0.3 . 1 . . 2379 . A 159 LYS CG . 34115 1 1777 . 1 1 159 159 LYS CD C 13 31.991 0.3 . 1 . . 2380 . A 159 LYS CD . 34115 1 1778 . 1 1 159 159 LYS CE C 13 40.380 0.3 . 1 . . 2381 . A 159 LYS CE . 34115 1 1779 . 1 1 159 159 LYS N N 15 120.740 0.3 . 1 . . 2521 . A 159 LYS N . 34115 1 stop_ save_