data_11451 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11451 _Entry.Title ; NMR strucure of stereo-array isotope labelled (SAIL) peptidyl-prolyl cis-trans isomerase from E. coli (EPPIb) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-07-16 _Entry.Accession_date 2011-07-16 _Entry.Last_release_date 2015-06-26 _Entry.Original_release_date 2015-06-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Mitsuhiro Takeda . . . 11451 2 JunGoo Jee . . . 11451 3 Akira Ono . M. . 11451 4 Kosuke Okuma . . . 11451 5 Tsutomu Terauchi . . . 11451 6 Masatsune Kainosho . . . 11451 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11451 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NMR . 11451 PROTEIN . 11451 SAIL . 11451 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11451 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 497 11451 '15N chemical shifts' 173 11451 '1H chemical shifts' 858 11451 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-06-26 . original BMRB . 11451 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NUL . 11451 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11451 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21955241 _Citation.Full_citation . _Citation.Title ; Hydrogen exchange study on the hydroxyl groups of serine and threonine residues in proteins and structure refinement using NOE restraints with polar side-chain groups ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 133 _Citation.Journal_issue 43 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 17420 _Citation.Page_last 17427 _Citation.Year 2011 _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.Entry_ID _Citation_author.Citation_ID 1 Mitsuhiro Takeda . . . 11451 1 2 JunGoo Jee . . . 11451 1 3 Akira Ono . M. . 11451 1 4 Tsutomu Terauchi . . . 11451 1 5 Masatsune Kainosho . . . 11451 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11451 _Assembly.ID 1 _Assembly.Name 'peptidyl-prolyl cis-trans isomerase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'peptidyl-prolyl cis-trans isomerase' 1 $entity A . yes native no no . . . 11451 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11451 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVTFHTNHGDIVIKTFDDKA PETVKNFLDYCREGFYNNTI FHRVINGFMIQGGGFEPGMK QKATKEPIKNEANNGLKNTR GTLAMARTQAPHSATAQFFI NVVDNDFLNFSGESLQGWGY CVFAEVVDGMDVVDKIKGVA TGRSGMHQDVPKEDVIIESV TVSE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 164 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18174.578 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1LOP . "Cyclophilin A Complexed With Succinyl-Ala-Pro-Ala-P-Nitroanilide" . . . . . 100.00 164 99.39 99.39 4.49e-116 . . . . 11451 1 2 no PDB 2NUL . "Peptidylprolyl Isomerase From E. Coli" . . . . . 100.00 164 100.00 100.00 4.10e-117 . . . . 11451 1 3 no PDB 2RS4 . "Nmr Strucure Of Stereo-array Isotope Labelled (sail) Peptidyl-prolyl Cis-trans Isomerase From E. Coli (eppib)" . . . . . 100.00 164 100.00 100.00 4.10e-117 . . . . 11451 1 4 no DBJ BAB34010 . "peptidyl-prolyl cis-trans isomerase B [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 164 99.39 100.00 1.77e-116 . . . . 11451 1 5 no DBJ BAE76302 . "peptidyl-prolyl cis-trans isomerase B [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 164 100.00 100.00 4.10e-117 . . . . 11451 1 6 no DBJ BAG76074 . "peptidyl-prolyl cis-trans isomerase B [Escherichia coli SE11]" . . . . . 100.00 164 100.00 100.00 4.10e-117 . . . . 11451 1 7 no DBJ BAI23892 . "peptidyl-prolyl cis-trans isomerase B [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 164 99.39 100.00 1.77e-116 . . . . 11451 1 8 no DBJ BAI29364 . "peptidyl-prolyl cis-trans isomerase B [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 164 99.39 100.00 1.77e-116 . . . . 11451 1 9 no EMBL CAD05020 . "peptidyl-prolyl cis-trans isomerase B [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 164 97.56 98.78 2.83e-114 . . . . 11451 1 10 no EMBL CAP75055 . "Peptidyl-prolyl cis-trans isomerase B [Escherichia coli LF82]" . . . . . 100.00 164 99.39 100.00 1.77e-116 . . . . 11451 1 11 no EMBL CAQ30997 . "peptidyl-prolyl cis-trans isomerase B (rotamase B) [Escherichia coli BL21(DE3)]" . . . . . 100.00 164 100.00 100.00 4.10e-117 . . . . 11451 1 12 no EMBL CAQ88114 . "peptidyl-prolyl cis-trans isomerase B (rotamase B) [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 164 99.39 100.00 1.77e-116 . . . . 11451 1 13 no EMBL CAQ97399 . "peptidyl-prolyl cis-trans isomerase B (rotamase B) [Escherichia coli IAI1]" . . . . . 100.00 164 99.39 100.00 1.77e-116 . . . . 11451 1 14 no GB AAA23453 . "peptidyl-prolyl cis-trans isomerase b [Escherichia coli]" . . . . . 100.00 164 99.39 99.39 4.49e-116 . . . . 11451 1 15 no GB AAC73627 . "peptidyl-prolyl cis-trans isomerase B (rotamase B) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 164 100.00 100.00 4.10e-117 . . . . 11451 1 16 no GB AAG54882 . "peptidyl-prolyl cis-trans isomerase B (rotamase B) [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 164 99.39 100.00 1.77e-116 . . . . 11451 1 17 no GB AAL19490 . "peptidyl-prolyl cis-trans isomerase B (rotamase B) [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 164 97.56 98.78 2.83e-114 . . . . 11451 1 18 no GB AAN42110 . "peptidyl-prolyl cis-trans isomerase B (rotamase B) [Shigella flexneri 2a str. 301]" . . . . . 100.00 164 99.39 100.00 2.46e-116 . . . . 11451 1 19 no PIR AB0569 . "peptidyl-prolyl cis-trans isomerase B [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 164 97.56 98.78 2.83e-114 . . . . 11451 1 20 no REF NP_308614 . "peptidyl-prolyl cis-trans isomerase B [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 164 99.39 100.00 1.77e-116 . . . . 11451 1 21 no REF NP_415058 . "peptidyl-prolyl cis-trans isomerase B (rotamase B) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 164 100.00 100.00 4.10e-117 . . . . 11451 1 22 no REF NP_455128 . "peptidyl-prolyl cis-trans isomerase B [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 164 97.56 98.78 2.83e-114 . . . . 11451 1 23 no REF NP_459531 . "peptidyl-prolyl cis-trans isomerase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 164 97.56 98.78 2.83e-114 . . . . 11451 1 24 no REF NP_706403 . "peptidyl-prolyl cis-trans isomerase B [Shigella flexneri 2a str. 301]" . . . . . 100.00 164 99.39 100.00 2.46e-116 . . . . 11451 1 25 no SP P23869 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase B; Short=PPIase B; AltName: Full=Rotamase B" . . . . . 100.00 164 100.00 100.00 4.10e-117 . . . . 11451 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 . 11451 1 2 . VAL . 11451 1 3 . THR . 11451 1 4 . PHE . 11451 1 5 . HIS . 11451 1 6 . THR . 11451 1 7 . ASN . 11451 1 8 . HIS . 11451 1 9 . GLY . 11451 1 10 . ASP . 11451 1 11 . ILE . 11451 1 12 . VAL . 11451 1 13 . ILE . 11451 1 14 . LYS . 11451 1 15 . THR . 11451 1 16 . PHE . 11451 1 17 . ASP . 11451 1 18 . ASP . 11451 1 19 . LYS . 11451 1 20 . ALA . 11451 1 21 . PRO . 11451 1 22 . GLU . 11451 1 23 . THR . 11451 1 24 . VAL . 11451 1 25 . LYS . 11451 1 26 . ASN . 11451 1 27 . PHE . 11451 1 28 . LEU . 11451 1 29 . ASP . 11451 1 30 . TYR . 11451 1 31 . CYS . 11451 1 32 . ARG . 11451 1 33 . GLU . 11451 1 34 . GLY . 11451 1 35 . PHE . 11451 1 36 . TYR . 11451 1 37 . ASN . 11451 1 38 . ASN . 11451 1 39 . THR . 11451 1 40 . ILE . 11451 1 41 . PHE . 11451 1 42 . HIS . 11451 1 43 . ARG . 11451 1 44 . VAL . 11451 1 45 . ILE . 11451 1 46 . ASN . 11451 1 47 . GLY . 11451 1 48 . PHE . 11451 1 49 . MET . 11451 1 50 . ILE . 11451 1 51 . GLN . 11451 1 52 . GLY . 11451 1 53 . GLY . 11451 1 54 . GLY . 11451 1 55 . PHE . 11451 1 56 . GLU . 11451 1 57 . PRO . 11451 1 58 . GLY . 11451 1 59 . MET . 11451 1 60 . LYS . 11451 1 61 . GLN . 11451 1 62 . LYS . 11451 1 63 . ALA . 11451 1 64 . THR . 11451 1 65 . LYS . 11451 1 66 . GLU . 11451 1 67 . PRO . 11451 1 68 . ILE . 11451 1 69 . LYS . 11451 1 70 . ASN . 11451 1 71 . GLU . 11451 1 72 . ALA . 11451 1 73 . ASN . 11451 1 74 . ASN . 11451 1 75 . GLY . 11451 1 76 . LEU . 11451 1 77 . LYS . 11451 1 78 . ASN . 11451 1 79 . THR . 11451 1 80 . ARG . 11451 1 81 . GLY . 11451 1 82 . THR . 11451 1 83 . LEU . 11451 1 84 . ALA . 11451 1 85 . MET . 11451 1 86 . ALA . 11451 1 87 . ARG . 11451 1 88 . THR . 11451 1 89 . GLN . 11451 1 90 . ALA . 11451 1 91 . PRO . 11451 1 92 . HIS . 11451 1 93 . SER . 11451 1 94 . ALA . 11451 1 95 . THR . 11451 1 96 . ALA . 11451 1 97 . GLN . 11451 1 98 . PHE . 11451 1 99 . PHE . 11451 1 100 . ILE . 11451 1 101 . ASN . 11451 1 102 . VAL . 11451 1 103 . VAL . 11451 1 104 . ASP . 11451 1 105 . ASN . 11451 1 106 . ASP . 11451 1 107 . PHE . 11451 1 108 . LEU . 11451 1 109 . ASN . 11451 1 110 . PHE . 11451 1 111 . SER . 11451 1 112 . GLY . 11451 1 113 . GLU . 11451 1 114 . SER . 11451 1 115 . LEU . 11451 1 116 . GLN . 11451 1 117 . GLY . 11451 1 118 . TRP . 11451 1 119 . GLY . 11451 1 120 . TYR . 11451 1 121 . CYS . 11451 1 122 . VAL . 11451 1 123 . PHE . 11451 1 124 . ALA . 11451 1 125 . GLU . 11451 1 126 . VAL . 11451 1 127 . VAL . 11451 1 128 . ASP . 11451 1 129 . GLY . 11451 1 130 . MET . 11451 1 131 . ASP . 11451 1 132 . VAL . 11451 1 133 . VAL . 11451 1 134 . ASP . 11451 1 135 . LYS . 11451 1 136 . ILE . 11451 1 137 . LYS . 11451 1 138 . GLY . 11451 1 139 . VAL . 11451 1 140 . ALA . 11451 1 141 . THR . 11451 1 142 . GLY . 11451 1 143 . ARG . 11451 1 144 . SER . 11451 1 145 . GLY . 11451 1 146 . MET . 11451 1 147 . HIS . 11451 1 148 . GLN . 11451 1 149 . ASP . 11451 1 150 . VAL . 11451 1 151 . PRO . 11451 1 152 . LYS . 11451 1 153 . GLU . 11451 1 154 . ASP . 11451 1 155 . VAL . 11451 1 156 . ILE . 11451 1 157 . ILE . 11451 1 158 . GLU . 11451 1 159 . SER . 11451 1 160 . VAL . 11451 1 161 . THR . 11451 1 162 . VAL . 11451 1 163 . SER . 11451 1 164 . GLU . 11451 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 11451 1 . VAL 2 2 11451 1 . THR 3 3 11451 1 . PHE 4 4 11451 1 . HIS 5 5 11451 1 . THR 6 6 11451 1 . ASN 7 7 11451 1 . HIS 8 8 11451 1 . GLY 9 9 11451 1 . ASP 10 10 11451 1 . ILE 11 11 11451 1 . VAL 12 12 11451 1 . ILE 13 13 11451 1 . LYS 14 14 11451 1 . THR 15 15 11451 1 . PHE 16 16 11451 1 . ASP 17 17 11451 1 . ASP 18 18 11451 1 . LYS 19 19 11451 1 . ALA 20 20 11451 1 . PRO 21 21 11451 1 . GLU 22 22 11451 1 . THR 23 23 11451 1 . VAL 24 24 11451 1 . LYS 25 25 11451 1 . ASN 26 26 11451 1 . PHE 27 27 11451 1 . LEU 28 28 11451 1 . ASP 29 29 11451 1 . TYR 30 30 11451 1 . CYS 31 31 11451 1 . ARG 32 32 11451 1 . GLU 33 33 11451 1 . GLY 34 34 11451 1 . PHE 35 35 11451 1 . TYR 36 36 11451 1 . ASN 37 37 11451 1 . ASN 38 38 11451 1 . THR 39 39 11451 1 . ILE 40 40 11451 1 . PHE 41 41 11451 1 . HIS 42 42 11451 1 . ARG 43 43 11451 1 . VAL 44 44 11451 1 . ILE 45 45 11451 1 . ASN 46 46 11451 1 . GLY 47 47 11451 1 . PHE 48 48 11451 1 . MET 49 49 11451 1 . ILE 50 50 11451 1 . GLN 51 51 11451 1 . GLY 52 52 11451 1 . GLY 53 53 11451 1 . GLY 54 54 11451 1 . PHE 55 55 11451 1 . GLU 56 56 11451 1 . PRO 57 57 11451 1 . GLY 58 58 11451 1 . MET 59 59 11451 1 . LYS 60 60 11451 1 . GLN 61 61 11451 1 . LYS 62 62 11451 1 . ALA 63 63 11451 1 . THR 64 64 11451 1 . LYS 65 65 11451 1 . GLU 66 66 11451 1 . PRO 67 67 11451 1 . ILE 68 68 11451 1 . LYS 69 69 11451 1 . ASN 70 70 11451 1 . GLU 71 71 11451 1 . ALA 72 72 11451 1 . ASN 73 73 11451 1 . ASN 74 74 11451 1 . GLY 75 75 11451 1 . LEU 76 76 11451 1 . LYS 77 77 11451 1 . ASN 78 78 11451 1 . THR 79 79 11451 1 . ARG 80 80 11451 1 . GLY 81 81 11451 1 . THR 82 82 11451 1 . LEU 83 83 11451 1 . ALA 84 84 11451 1 . MET 85 85 11451 1 . ALA 86 86 11451 1 . ARG 87 87 11451 1 . THR 88 88 11451 1 . GLN 89 89 11451 1 . ALA 90 90 11451 1 . PRO 91 91 11451 1 . HIS 92 92 11451 1 . SER 93 93 11451 1 . ALA 94 94 11451 1 . THR 95 95 11451 1 . ALA 96 96 11451 1 . GLN 97 97 11451 1 . PHE 98 98 11451 1 . PHE 99 99 11451 1 . ILE 100 100 11451 1 . ASN 101 101 11451 1 . VAL 102 102 11451 1 . VAL 103 103 11451 1 . ASP 104 104 11451 1 . ASN 105 105 11451 1 . ASP 106 106 11451 1 . PHE 107 107 11451 1 . LEU 108 108 11451 1 . ASN 109 109 11451 1 . PHE 110 110 11451 1 . SER 111 111 11451 1 . GLY 112 112 11451 1 . GLU 113 113 11451 1 . SER 114 114 11451 1 . LEU 115 115 11451 1 . GLN 116 116 11451 1 . GLY 117 117 11451 1 . TRP 118 118 11451 1 . GLY 119 119 11451 1 . TYR 120 120 11451 1 . CYS 121 121 11451 1 . VAL 122 122 11451 1 . PHE 123 123 11451 1 . ALA 124 124 11451 1 . GLU 125 125 11451 1 . VAL 126 126 11451 1 . VAL 127 127 11451 1 . ASP 128 128 11451 1 . GLY 129 129 11451 1 . MET 130 130 11451 1 . ASP 131 131 11451 1 . VAL 132 132 11451 1 . VAL 133 133 11451 1 . ASP 134 134 11451 1 . LYS 135 135 11451 1 . ILE 136 136 11451 1 . LYS 137 137 11451 1 . GLY 138 138 11451 1 . VAL 139 139 11451 1 . ALA 140 140 11451 1 . THR 141 141 11451 1 . GLY 142 142 11451 1 . ARG 143 143 11451 1 . SER 144 144 11451 1 . GLY 145 145 11451 1 . MET 146 146 11451 1 . HIS 147 147 11451 1 . GLN 148 148 11451 1 . ASP 149 149 11451 1 . VAL 150 150 11451 1 . PRO 151 151 11451 1 . LYS 152 152 11451 1 . GLU 153 153 11451 1 . ASP 154 154 11451 1 . VAL 155 155 11451 1 . ILE 156 156 11451 1 . ILE 157 157 11451 1 . GLU 158 158 11451 1 . SER 159 159 11451 1 . VAL 160 160 11451 1 . THR 161 161 11451 1 . VAL 162 162 11451 1 . SER 163 163 11451 1 . GLU 164 164 11451 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 11451 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 11451 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 11451 _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 . 'cell free synthesis' 'Escherichia coli' . . . Escherichia coli . . . . . . pET3a . . . 11451 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11451 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EPPIb 'SAIL [e-SAIL Phe, e-SAIL Tyr]' . . 1 $entity . . 0.3 . . mM . . . . 11451 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11451 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 11451 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11451 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11451 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EPPIb 'SAIL [z-SAIL Phe, e-SAIL Tyr]' . . 1 $entity . . 0.3 . . mM . . . . 11451 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11451 2 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 11451 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11451 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 11451 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EPPIb 'SAIL [d-SAIL Phe, d-SAIL Tyr]' . . 1 $entity . . 0.3 . . mM . . . . 11451 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11451 3 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 11451 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11451 3 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 11451 _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' 0.4 . M 11451 1 pH 6.2 . pH 11451 1 pressure 1 . atm 11451 1 temperature 310 . K 11451 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11451 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 11451 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11451 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11451 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11451 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11451 _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 spectrometer_1 Bruker Avance . 600 . . . 11451 1 2 spectrometer_2 Bruker DRX . 800 . . . 11451 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 11451 _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 $spectrometer_2 . . . . . . . . . . . . . . . . 11451 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11451 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11451 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11451 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11451 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11451 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11451 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11451 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11451 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11451 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11451 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11451 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11451 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11451 1 15 '2D HB(CBCG)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11451 1 16 '2D HB(CBCGCZ) HZ' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11451 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11451 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11451 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11451 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11451 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11451 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 "Systematic_chem_shift_offset: 'SAIL isotope labeling'; 'all 13C'." _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' . . . 11451 1 2 '2D 1H-13C HSQC aliphatic' . . . 11451 1 3 '2D 1H-13C HSQC aromatic' . . . 11451 1 4 '3D HNCA' . . . 11451 1 5 '3D HNCACB' . . . 11451 1 7 '3D CBCA(CO)NH' . . . 11451 1 8 '3D HN(CO)CA' . . . 11451 1 9 '3D HCCH-TOCSY' . . . 11451 1 14 '3D 1H-13C NOESY aromatic' . . . 11451 1 15 '2D HB(CBCG)HE' . . . 11451 1 16 '2D HB(CBCGCZ) HZ' . . . 11451 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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.463 0.001 . 1 . . . A 1 MET HA . 11451 1 2 . 1 1 1 1 MET HB2 H 1 1.961 0.007 . 2 . . . A 1 MET HB2 . 11451 1 3 . 1 1 1 1 MET HG2 H 1 2.391 0.002 . 2 . . . A 1 MET HG2 . 11451 1 4 . 1 1 1 1 MET CA C 13 55.015 0.1 . 1 . . . A 1 MET CA . 11451 1 5 . 1 1 1 1 MET CB C 13 33.552 0.005 . 1 . . . A 1 MET CB . 11451 1 6 . 1 1 1 1 MET CG C 13 31.226 0.006 . 1 . . . A 1 MET CG . 11451 1 7 . 1 1 2 2 VAL H H 1 8.961 0.012 . 1 . . . A 2 VAL H . 11451 1 8 . 1 1 2 2 VAL HA H 1 4.775 0.009 . 1 . . . A 2 VAL HA . 11451 1 9 . 1 1 2 2 VAL HB H 1 1.549 0.005 . 1 . . . A 2 VAL HB . 11451 1 10 . 1 1 2 2 VAL HG21 H 1 0.846 0.006 . 2 . . . A 2 VAL HG21 . 11451 1 11 . 1 1 2 2 VAL HG22 H 1 0.846 0.006 . 2 . . . A 2 VAL HG21 . 11451 1 12 . 1 1 2 2 VAL HG23 H 1 0.846 0.006 . 2 . . . A 2 VAL HG21 . 11451 1 13 . 1 1 2 2 VAL CA C 13 61.024 0.002 . 1 . . . A 2 VAL CA . 11451 1 14 . 1 1 2 2 VAL CB C 13 35.131 0.002 . 1 . . . A 2 VAL CB . 11451 1 15 . 1 1 2 2 VAL CG2 C 13 21.765 0.003 . 2 . . . A 2 VAL CG2 . 11451 1 16 . 1 1 2 2 VAL N N 15 123.776 0.062 . 1 . . . A 2 VAL N . 11451 1 17 . 1 1 3 3 THR H H 1 8.912 0.003 . 1 . . . A 3 THR H . 11451 1 18 . 1 1 3 3 THR HA H 1 5.053 0.005 . 1 . . . A 3 THR HA . 11451 1 19 . 1 1 3 3 THR HB H 1 3.585 0.007 . 1 . . . A 3 THR HB . 11451 1 20 . 1 1 3 3 THR HG21 H 1 0.436 0.004 . 1 . . . A 3 THR HG21 . 11451 1 21 . 1 1 3 3 THR HG22 H 1 0.436 0.004 . 1 . . . A 3 THR HG21 . 11451 1 22 . 1 1 3 3 THR HG23 H 1 0.436 0.004 . 1 . . . A 3 THR HG21 . 11451 1 23 . 1 1 3 3 THR CA C 13 61.176 0.1 . 1 . . . A 3 THR CA . 11451 1 24 . 1 1 3 3 THR CB C 13 70.356 0.1 . 1 . . . A 3 THR CB . 11451 1 25 . 1 1 3 3 THR CG2 C 13 20.155 0.003 . 1 . . . A 3 THR CG2 . 11451 1 26 . 1 1 3 3 THR N N 15 121.749 0.048 . 1 . . . A 3 THR N . 11451 1 27 . 1 1 4 4 PHE H H 1 9.442 0.009 . 1 . . . A 4 PHE H . 11451 1 28 . 1 1 4 4 PHE HA H 1 4.795 0.005 . 1 . . . A 4 PHE HA . 11451 1 29 . 1 1 4 4 PHE HB3 H 1 2.757 0.006 . 2 . . . A 4 PHE HB3 . 11451 1 30 . 1 1 4 4 PHE HD1 H 1 6.915 0.001 . 3 . . . A 4 PHE HD1 . 11451 1 31 . 1 1 4 4 PHE HD2 H 1 6.915 0.001 . 3 . . . A 4 PHE HD2 . 11451 1 32 . 1 1 4 4 PHE HE1 H 1 6.734 0.007 . 3 . . . A 4 PHE HE1 . 11451 1 33 . 1 1 4 4 PHE HE2 H 1 6.734 0.007 . 3 . . . A 4 PHE HE2 . 11451 1 34 . 1 1 4 4 PHE HZ H 1 6.202 0.02 . 1 . . . A 4 PHE HZ . 11451 1 35 . 1 1 4 4 PHE CA C 13 54.011 0.002 . 1 . . . A 4 PHE CA . 11451 1 36 . 1 1 4 4 PHE CB C 13 38.721 0.001 . 1 . . . A 4 PHE CB . 11451 1 37 . 1 1 4 4 PHE CD1 C 13 129.395 0.037 . 3 . . . A 4 PHE CD1 . 11451 1 38 . 1 1 4 4 PHE CE1 C 13 130.627 0.027 . 3 . . . A 4 PHE CE1 . 11451 1 39 . 1 1 4 4 PHE CZ C 13 129.446 0.1 . 1 . . . A 4 PHE CZ . 11451 1 40 . 1 1 4 4 PHE N N 15 125.726 0.020 . 1 . . . A 4 PHE N . 11451 1 41 . 1 1 5 5 HIS H H 1 8.897 0.006 . 1 . . . A 5 HIS H . 11451 1 42 . 1 1 5 5 HIS HA H 1 5.349 0.007 . 1 . . . A 5 HIS HA . 11451 1 43 . 1 1 5 5 HIS HB3 H 1 3.136 0.004 . 2 . . . A 5 HIS HB3 . 11451 1 44 . 1 1 5 5 HIS HD2 H 1 6.770 0.010 . 1 . . . A 5 HIS HD2 . 11451 1 45 . 1 1 5 5 HIS HE1 H 1 8.132 0.070 . 1 . . . A 5 HIS HE1 . 11451 1 46 . 1 1 5 5 HIS CA C 13 54.308 0.005 . 1 . . . A 5 HIS CA . 11451 1 47 . 1 1 5 5 HIS CB C 13 26.517 0.002 . 1 . . . A 5 HIS CB . 11451 1 48 . 1 1 5 5 HIS CD2 C 13 124.498 0.042 . 1 . . . A 5 HIS CD2 . 11451 1 49 . 1 1 5 5 HIS CE1 C 13 137.171 0.126 . 1 . . . A 5 HIS CE1 . 11451 1 50 . 1 1 5 5 HIS N N 15 125.337 0.026 . 1 . . . A 5 HIS N . 11451 1 51 . 1 1 6 6 THR H H 1 7.881 0.006 . 1 . . . A 6 THR H . 11451 1 52 . 1 1 6 6 THR HA H 1 6.126 0.008 . 1 . . . A 6 THR HA . 11451 1 53 . 1 1 6 6 THR HB H 1 4.468 0.003 . 1 . . . A 6 THR HB . 11451 1 54 . 1 1 6 6 THR HG1 H 1 6.287 0.006 . 1 . . . A 6 THR HG1 . 11451 1 55 . 1 1 6 6 THR HG21 H 1 1.243 0.005 . 1 . . . A 6 THR HG21 . 11451 1 56 . 1 1 6 6 THR HG22 H 1 1.243 0.005 . 1 . . . A 6 THR HG21 . 11451 1 57 . 1 1 6 6 THR HG23 H 1 1.243 0.005 . 1 . . . A 6 THR HG21 . 11451 1 58 . 1 1 6 6 THR CA C 13 60.220 0.1 . 1 . . . A 6 THR CA . 11451 1 59 . 1 1 6 6 THR CB C 13 72.515 0.062 . 1 . . . A 6 THR CB . 11451 1 60 . 1 1 6 6 THR CG2 C 13 20.455 0.003 . 1 . . . A 6 THR CG2 . 11451 1 61 . 1 1 6 6 THR N N 15 115.752 0.023 . 1 . . . A 6 THR N . 11451 1 62 . 1 1 7 7 ASN H H 1 9.334 0.004 . 1 . . . A 7 ASN H . 11451 1 63 . 1 1 7 7 ASN HA H 1 4.575 0.007 . 1 . . . A 7 ASN HA . 11451 1 64 . 1 1 7 7 ASN HB2 H 1 3.132 0.005 . 2 . . . A 7 ASN HB2 . 11451 1 65 . 1 1 7 7 ASN HD21 H 1 7.866 0.005 . 2 . . . A 7 ASN HD21 . 11451 1 66 . 1 1 7 7 ASN HD22 H 1 7.017 0.007 . 2 . . . A 7 ASN HD22 . 11451 1 67 . 1 1 7 7 ASN CA C 13 54.493 0.1 . 1 . . . A 7 ASN CA . 11451 1 68 . 1 1 7 7 ASN CB C 13 35.334 0.008 . 1 . . . A 7 ASN CB . 11451 1 69 . 1 1 7 7 ASN N N 15 119.451 0.037 . 1 . . . A 7 ASN N . 11451 1 70 . 1 1 7 7 ASN ND2 N 15 112.530 0.075 . 1 . . . A 7 ASN ND2 . 11451 1 71 . 1 1 8 8 HIS H H 1 8.663 0.006 . 1 . . . A 8 HIS H . 11451 1 72 . 1 1 8 8 HIS HA H 1 4.491 0.006 . 1 . . . A 8 HIS HA . 11451 1 73 . 1 1 8 8 HIS HB3 H 1 3.227 0.007 . 2 . . . A 8 HIS HB3 . 11451 1 74 . 1 1 8 8 HIS HD2 H 1 6.850 0.011 . 1 . . . A 8 HIS HD2 . 11451 1 75 . 1 1 8 8 HIS HE1 H 1 7.623 0.02 . 1 . . . A 8 HIS HE1 . 11451 1 76 . 1 1 8 8 HIS CA C 13 56.790 0.1 . 1 . . . A 8 HIS CA . 11451 1 77 . 1 1 8 8 HIS CB C 13 32.634 0.064 . 1 . . . A 8 HIS CB . 11451 1 78 . 1 1 8 8 HIS CD2 C 13 118.786 0.012 . 1 . . . A 8 HIS CD2 . 11451 1 79 . 1 1 8 8 HIS CE1 C 13 138.215 0.1 . 1 . . . A 8 HIS CE1 . 11451 1 80 . 1 1 8 8 HIS N N 15 118.490 0.010 . 1 . . . A 8 HIS N . 11451 1 81 . 1 1 9 9 GLY H H 1 7.320 0.007 . 1 . . . A 9 GLY H . 11451 1 82 . 1 1 9 9 GLY HA2 H 1 3.811 0.005 . 2 . . . A 9 GLY HA2 . 11451 1 83 . 1 1 9 9 GLY CA C 13 43.600 0.001 . 1 . . . A 9 GLY CA . 11451 1 84 . 1 1 9 9 GLY N N 15 108.550 0.018 . 1 . . . A 9 GLY N . 11451 1 85 . 1 1 10 10 ASP H H 1 8.857 0.008 . 1 . . . A 10 ASP H . 11451 1 86 . 1 1 10 10 ASP HA H 1 5.620 0.074 . 1 . . . A 10 ASP HA . 11451 1 87 . 1 1 10 10 ASP HB2 H 1 2.545 0.006 . 2 . . . A 10 ASP HB2 . 11451 1 88 . 1 1 10 10 ASP CA C 13 54.310 0.001 . 1 . . . A 10 ASP CA . 11451 1 89 . 1 1 10 10 ASP CB C 13 41.500 0.001 . 1 . . . A 10 ASP CB . 11451 1 90 . 1 1 10 10 ASP N N 15 123.900 0.013 . 1 . . . A 10 ASP N . 11451 1 91 . 1 1 11 11 ILE H H 1 8.638 0.004 . 1 . . . A 11 ILE H . 11451 1 92 . 1 1 11 11 ILE HA H 1 4.336 0.007 . 1 . . . A 11 ILE HA . 11451 1 93 . 1 1 11 11 ILE HB H 1 1.674 0.008 . 1 . . . A 11 ILE HB . 11451 1 94 . 1 1 11 11 ILE HG12 H 1 0.821 0.005 . 2 . . . A 11 ILE HG12 . 11451 1 95 . 1 1 11 11 ILE HG21 H 1 0.654 0.006 . 1 . . . A 11 ILE HG21 . 11451 1 96 . 1 1 11 11 ILE HG22 H 1 0.654 0.006 . 1 . . . A 11 ILE HG21 . 11451 1 97 . 1 1 11 11 ILE HG23 H 1 0.654 0.006 . 1 . . . A 11 ILE HG21 . 11451 1 98 . 1 1 11 11 ILE HD11 H 1 0.610 0.006 . 1 . . . A 11 ILE HD11 . 11451 1 99 . 1 1 11 11 ILE HD12 H 1 0.610 0.006 . 1 . . . A 11 ILE HD11 . 11451 1 100 . 1 1 11 11 ILE HD13 H 1 0.610 0.006 . 1 . . . A 11 ILE HD11 . 11451 1 101 . 1 1 11 11 ILE CA C 13 61.276 0.001 . 1 . . . A 11 ILE CA . 11451 1 102 . 1 1 11 11 ILE CB C 13 41.659 0.001 . 1 . . . A 11 ILE CB . 11451 1 103 . 1 1 11 11 ILE CG1 C 13 26.037 0.079 . 1 . . . A 11 ILE CG1 . 11451 1 104 . 1 1 11 11 ILE CG2 C 13 17.787 0.006 . 1 . . . A 11 ILE CG2 . 11451 1 105 . 1 1 11 11 ILE CD1 C 13 13.470 0.022 . 1 . . . A 11 ILE CD1 . 11451 1 106 . 1 1 11 11 ILE N N 15 121.150 0.025 . 1 . . . A 11 ILE N . 11451 1 107 . 1 1 12 12 VAL H H 1 8.771 0.019 . 1 . . . A 12 VAL H . 11451 1 108 . 1 1 12 12 VAL HA H 1 4.531 0.004 . 1 . . . A 12 VAL HA . 11451 1 109 . 1 1 12 12 VAL HB H 1 1.792 0.003 . 1 . . . A 12 VAL HB . 11451 1 110 . 1 1 12 12 VAL HG21 H 1 0.777 0.003 . 2 . . . A 12 VAL HG21 . 11451 1 111 . 1 1 12 12 VAL HG22 H 1 0.777 0.003 . 2 . . . A 12 VAL HG21 . 11451 1 112 . 1 1 12 12 VAL HG23 H 1 0.777 0.003 . 2 . . . A 12 VAL HG21 . 11451 1 113 . 1 1 12 12 VAL CA C 13 62.310 0.1 . 1 . . . A 12 VAL CA . 11451 1 114 . 1 1 12 12 VAL CB C 13 32.242 0.004 . 1 . . . A 12 VAL CB . 11451 1 115 . 1 1 12 12 VAL CG2 C 13 19.635 0.002 . 2 . . . A 12 VAL CG2 . 11451 1 116 . 1 1 12 12 VAL N N 15 129.487 0.054 . 1 . . . A 12 VAL N . 11451 1 117 . 1 1 13 13 ILE H H 1 9.527 0.008 . 1 . . . A 13 ILE H . 11451 1 118 . 1 1 13 13 ILE HA H 1 4.670 0.009 . 1 . . . A 13 ILE HA . 11451 1 119 . 1 1 13 13 ILE HB H 1 1.388 0.003 . 1 . . . A 13 ILE HB . 11451 1 120 . 1 1 13 13 ILE HG12 H 1 0.455 0.010 . 2 . . . A 13 ILE HG12 . 11451 1 121 . 1 1 13 13 ILE HG21 H 1 0.284 0.004 . 1 . . . A 13 ILE HG21 . 11451 1 122 . 1 1 13 13 ILE HG22 H 1 0.284 0.004 . 1 . . . A 13 ILE HG21 . 11451 1 123 . 1 1 13 13 ILE HG23 H 1 0.284 0.004 . 1 . . . A 13 ILE HG21 . 11451 1 124 . 1 1 13 13 ILE HD11 H 1 -0.083 0.005 . 1 . . . A 13 ILE HD11 . 11451 1 125 . 1 1 13 13 ILE HD12 H 1 -0.083 0.005 . 1 . . . A 13 ILE HD11 . 11451 1 126 . 1 1 13 13 ILE HD13 H 1 -0.083 0.005 . 1 . . . A 13 ILE HD11 . 11451 1 127 . 1 1 13 13 ILE CA C 13 59.738 0.1 . 1 . . . A 13 ILE CA . 11451 1 128 . 1 1 13 13 ILE CB C 13 41.559 0.002 . 1 . . . A 13 ILE CB . 11451 1 129 . 1 1 13 13 ILE CG1 C 13 27.050 0.1 . 1 . . . A 13 ILE CG1 . 11451 1 130 . 1 1 13 13 ILE CG2 C 13 18.396 0.004 . 1 . . . A 13 ILE CG2 . 11451 1 131 . 1 1 13 13 ILE CD1 C 13 13.464 0.1 . 1 . . . A 13 ILE CD1 . 11451 1 132 . 1 1 13 13 ILE N N 15 127.702 0.056 . 1 . . . A 13 ILE N . 11451 1 133 . 1 1 14 14 LYS H H 1 8.684 0.005 . 1 . . . A 14 LYS H . 11451 1 134 . 1 1 14 14 LYS HA H 1 4.777 0.009 . 1 . . . A 14 LYS HA . 11451 1 135 . 1 1 14 14 LYS HB3 H 1 1.487 0.006 . 2 . . . A 14 LYS HB3 . 11451 1 136 . 1 1 14 14 LYS HG3 H 1 1.196 0.004 . 2 . . . A 14 LYS HG3 . 11451 1 137 . 1 1 14 14 LYS HD3 H 1 1.522 0.004 . 2 . . . A 14 LYS HD3 . 11451 1 138 . 1 1 14 14 LYS HE2 H 1 2.815 0.012 . 2 . . . A 14 LYS HE2 . 11451 1 139 . 1 1 14 14 LYS CA C 13 53.843 0.005 . 1 . . . A 14 LYS CA . 11451 1 140 . 1 1 14 14 LYS CB C 13 35.500 0.001 . 1 . . . A 14 LYS CB . 11451 1 141 . 1 1 14 14 LYS CG C 13 24.057 0.004 . 1 . . . A 14 LYS CG . 11451 1 142 . 1 1 14 14 LYS CD C 13 28.999 0.002 . 1 . . . A 14 LYS CD . 11451 1 143 . 1 1 14 14 LYS CE C 13 41.952 0.002 . 1 . . . A 14 LYS CE . 11451 1 144 . 1 1 14 14 LYS N N 15 126.574 0.034 . 1 . . . A 14 LYS N . 11451 1 145 . 1 1 15 15 THR H H 1 8.343 0.004 . 1 . . . A 15 THR H . 11451 1 146 . 1 1 15 15 THR HA H 1 4.130 0.003 . 1 . . . A 15 THR HA . 11451 1 147 . 1 1 15 15 THR HB H 1 4.280 0.002 . 1 . . . A 15 THR HB . 11451 1 148 . 1 1 15 15 THR HG21 H 1 1.039 0.002 . 1 . . . A 15 THR HG21 . 11451 1 149 . 1 1 15 15 THR HG22 H 1 1.039 0.002 . 1 . . . A 15 THR HG21 . 11451 1 150 . 1 1 15 15 THR HG23 H 1 1.039 0.002 . 1 . . . A 15 THR HG21 . 11451 1 151 . 1 1 15 15 THR CA C 13 59.806 0.001 . 1 . . . A 15 THR CA . 11451 1 152 . 1 1 15 15 THR CB C 13 69.319 0.1 . 1 . . . A 15 THR CB . 11451 1 153 . 1 1 15 15 THR CG2 C 13 21.416 0.005 . 1 . . . A 15 THR CG2 . 11451 1 154 . 1 1 15 15 THR N N 15 113.811 0.044 . 1 . . . A 15 THR N . 11451 1 155 . 1 1 16 16 PHE H H 1 8.315 0.007 . 1 . . . A 16 PHE H . 11451 1 156 . 1 1 16 16 PHE HA H 1 5.275 0.007 . 1 . . . A 16 PHE HA . 11451 1 157 . 1 1 16 16 PHE HB3 H 1 2.915 0.004 . 2 . . . A 16 PHE HB3 . 11451 1 158 . 1 1 16 16 PHE HD1 H 1 6.758 0.001 . 3 . . . A 16 PHE HD1 . 11451 1 159 . 1 1 16 16 PHE HD2 H 1 6.758 0.001 . 3 . . . A 16 PHE HD2 . 11451 1 160 . 1 1 16 16 PHE HE1 H 1 6.907 0.004 . 3 . . . A 16 PHE HE1 . 11451 1 161 . 1 1 16 16 PHE HE2 H 1 6.907 0.004 . 3 . . . A 16 PHE HE2 . 11451 1 162 . 1 1 16 16 PHE HZ H 1 7.055 0.02 . 1 . . . A 16 PHE HZ . 11451 1 163 . 1 1 16 16 PHE CA C 13 53.290 0.001 . 1 . . . A 16 PHE CA . 11451 1 164 . 1 1 16 16 PHE CB C 13 36.370 0.1 . 1 . . . A 16 PHE CB . 11451 1 165 . 1 1 16 16 PHE CD2 C 13 130.635 0.038 . 3 . . . A 16 PHE CD2 . 11451 1 166 . 1 1 16 16 PHE CE2 C 13 130.228 0.059 . 3 . . . A 16 PHE CE2 . 11451 1 167 . 1 1 16 16 PHE CZ C 13 129.961 0.1 . 1 . . . A 16 PHE CZ . 11451 1 168 . 1 1 16 16 PHE N N 15 122.611 0.034 . 1 . . . A 16 PHE N . 11451 1 169 . 1 1 17 17 ASP H H 1 9.106 0.008 . 1 . . . A 17 ASP H . 11451 1 170 . 1 1 17 17 ASP HA H 1 3.762 0.008 . 1 . . . A 17 ASP HA . 11451 1 171 . 1 1 17 17 ASP HB2 H 1 2.522 0.004 . 2 . . . A 17 ASP HB2 . 11451 1 172 . 1 1 17 17 ASP CA C 13 57.958 0.002 . 1 . . . A 17 ASP CA . 11451 1 173 . 1 1 17 17 ASP CB C 13 38.949 0.001 . 1 . . . A 17 ASP CB . 11451 1 174 . 1 1 17 17 ASP N N 15 120.182 0.038 . 1 . . . A 17 ASP N . 11451 1 175 . 1 1 18 18 ASP H H 1 8.584 0.004 . 1 . . . A 18 ASP H . 11451 1 176 . 1 1 18 18 ASP HA H 1 4.375 0.002 . 1 . . . A 18 ASP HA . 11451 1 177 . 1 1 18 18 ASP HB2 H 1 2.581 0.003 . 2 . . . A 18 ASP HB2 . 11451 1 178 . 1 1 18 18 ASP CA C 13 55.023 0.130 . 1 . . . A 18 ASP CA . 11451 1 179 . 1 1 18 18 ASP CB C 13 39.763 0.037 . 1 . . . A 18 ASP CB . 11451 1 180 . 1 1 18 18 ASP N N 15 111.686 0.007 . 1 . . . A 18 ASP N . 11451 1 181 . 1 1 19 19 LYS H H 1 7.333 0.002 . 1 . . . A 19 LYS H . 11451 1 182 . 1 1 19 19 LYS HA H 1 4.436 0.002 . 1 . . . A 19 LYS HA . 11451 1 183 . 1 1 19 19 LYS HB3 H 1 1.693 0.008 . 2 . . . A 19 LYS HB3 . 11451 1 184 . 1 1 19 19 LYS HG3 H 1 1.261 0.012 . 2 . . . A 19 LYS HG3 . 11451 1 185 . 1 1 19 19 LYS HD3 H 1 1.487 0.002 . 2 . . . A 19 LYS HD3 . 11451 1 186 . 1 1 19 19 LYS HE2 H 1 2.766 0.004 . 2 . . . A 19 LYS HE2 . 11451 1 187 . 1 1 19 19 LYS CA C 13 55.387 0.049 . 1 . . . A 19 LYS CA . 11451 1 188 . 1 1 19 19 LYS CB C 13 33.867 0.004 . 1 . . . A 19 LYS CB . 11451 1 189 . 1 1 19 19 LYS CG C 13 23.993 0.003 . 1 . . . A 19 LYS CG . 11451 1 190 . 1 1 19 19 LYS CD C 13 27.904 0.006 . 1 . . . A 19 LYS CD . 11451 1 191 . 1 1 19 19 LYS CE C 13 41.729 0.002 . 1 . . . A 19 LYS CE . 11451 1 192 . 1 1 19 19 LYS N N 15 118.003 0.012 . 1 . . . A 19 LYS N . 11451 1 193 . 1 1 20 20 ALA H H 1 7.560 0.004 . 1 . . . A 20 ALA H . 11451 1 194 . 1 1 20 20 ALA HA H 1 4.618 0.02 . 1 . . . A 20 ALA HA . 11451 1 195 . 1 1 20 20 ALA HB1 H 1 1.197 0.002 . 1 . . . A 20 ALA HB1 . 11451 1 196 . 1 1 20 20 ALA HB2 H 1 1.197 0.002 . 1 . . . A 20 ALA HB1 . 11451 1 197 . 1 1 20 20 ALA HB3 H 1 1.197 0.002 . 1 . . . A 20 ALA HB1 . 11451 1 198 . 1 1 20 20 ALA CA C 13 50.117 0.1 . 1 . . . A 20 ALA CA . 11451 1 199 . 1 1 20 20 ALA CB C 13 18.235 0.002 . 1 . . . A 20 ALA CB . 11451 1 200 . 1 1 20 20 ALA N N 15 123.657 0.011 . 1 . . . A 20 ALA N . 11451 1 201 . 1 1 21 21 PRO HA H 1 4.424 0.004 . 1 . . . A 21 PRO HA . 11451 1 202 . 1 1 21 21 PRO HB3 H 1 1.932 0.001 . 2 . . . A 21 PRO HB3 . 11451 1 203 . 1 1 21 21 PRO HG2 H 1 2.109 0.003 . 2 . . . A 21 PRO HG2 . 11451 1 204 . 1 1 21 21 PRO HD2 H 1 3.507 0.001 . 2 . . . A 21 PRO HD2 . 11451 1 205 . 1 1 21 21 PRO HD3 H 1 3.089 0.02 . 2 . . . A 21 PRO HD3 . 11451 1 206 . 1 1 21 21 PRO CA C 13 66.277 0.1 . 1 . . . A 21 PRO CA . 11451 1 207 . 1 1 21 21 PRO CB C 13 31.508 0.005 . 1 . . . A 21 PRO CB . 11451 1 208 . 1 1 21 21 PRO CG C 13 27.279 0.001 . 1 . . . A 21 PRO CG . 11451 1 209 . 1 1 21 21 PRO CD C 13 49.795 0.080 . 1 . . . A 21 PRO CD . 11451 1 210 . 1 1 22 22 GLU H H 1 9.855 0.005 . 1 . . . A 22 GLU H . 11451 1 211 . 1 1 22 22 GLU HA H 1 4.012 0.006 . 1 . . . A 22 GLU HA . 11451 1 212 . 1 1 22 22 GLU HB2 H 1 1.817 0.012 . 2 . . . A 22 GLU HB2 . 11451 1 213 . 1 1 22 22 GLU HG2 H 1 2.067 0.007 . 2 . . . A 22 GLU HG2 . 11451 1 214 . 1 1 22 22 GLU CA C 13 59.624 0.140 . 1 . . . A 22 GLU CA . 11451 1 215 . 1 1 22 22 GLU CB C 13 28.480 0.1 . 1 . . . A 22 GLU CB . 11451 1 216 . 1 1 22 22 GLU CG C 13 36.120 0.004 . 1 . . . A 22 GLU CG . 11451 1 217 . 1 1 22 22 GLU N N 15 122.557 0.007 . 1 . . . A 22 GLU N . 11451 1 218 . 1 1 23 23 THR H H 1 9.390 0.002 . 1 . . . A 23 THR H . 11451 1 219 . 1 1 23 23 THR HA H 1 3.584 0.020 . 1 . . . A 23 THR HA . 11451 1 220 . 1 1 23 23 THR HB H 1 4.023 0.005 . 1 . . . A 23 THR HB . 11451 1 221 . 1 1 23 23 THR HG1 H 1 8.222 0.008 . 1 . . . A 23 THR HG1 . 11451 1 222 . 1 1 23 23 THR HG21 H 1 0.565 0.002 . 1 . . . A 23 THR HG21 . 11451 1 223 . 1 1 23 23 THR HG22 H 1 0.565 0.002 . 1 . . . A 23 THR HG21 . 11451 1 224 . 1 1 23 23 THR HG23 H 1 0.565 0.002 . 1 . . . A 23 THR HG21 . 11451 1 225 . 1 1 23 23 THR CA C 13 66.554 0.004 . 1 . . . A 23 THR CA . 11451 1 226 . 1 1 23 23 THR CB C 13 67.614 0.005 . 1 . . . A 23 THR CB . 11451 1 227 . 1 1 23 23 THR CG2 C 13 22.693 0.001 . 1 . . . A 23 THR CG2 . 11451 1 228 . 1 1 23 23 THR N N 15 122.201 0.032 . 1 . . . A 23 THR N . 11451 1 229 . 1 1 24 24 VAL H H 1 9.359 0.007 . 1 . . . A 24 VAL H . 11451 1 230 . 1 1 24 24 VAL HA H 1 3.485 0.004 . 1 . . . A 24 VAL HA . 11451 1 231 . 1 1 24 24 VAL HB H 1 2.067 0.002 . 1 . . . A 24 VAL HB . 11451 1 232 . 1 1 24 24 VAL HG21 H 1 1.155 0.003 . 2 . . . A 24 VAL HG21 . 11451 1 233 . 1 1 24 24 VAL HG22 H 1 1.155 0.003 . 2 . . . A 24 VAL HG21 . 11451 1 234 . 1 1 24 24 VAL HG23 H 1 1.155 0.003 . 2 . . . A 24 VAL HG21 . 11451 1 235 . 1 1 24 24 VAL CA C 13 68.307 0.007 . 1 . . . A 24 VAL CA . 11451 1 236 . 1 1 24 24 VAL CB C 13 30.889 0.002 . 1 . . . A 24 VAL CB . 11451 1 237 . 1 1 24 24 VAL CG2 C 13 25.737 0.1 . 2 . . . A 24 VAL CG2 . 11451 1 238 . 1 1 24 24 VAL N N 15 125.111 0.042 . 1 . . . A 24 VAL N . 11451 1 239 . 1 1 25 25 LYS H H 1 7.686 0.008 . 1 . . . A 25 LYS H . 11451 1 240 . 1 1 25 25 LYS HA H 1 3.868 0.004 . 1 . . . A 25 LYS HA . 11451 1 241 . 1 1 25 25 LYS HB3 H 1 1.751 0.005 . 2 . . . A 25 LYS HB3 . 11451 1 242 . 1 1 25 25 LYS HG3 H 1 1.342 0.007 . 2 . . . A 25 LYS HG3 . 11451 1 243 . 1 1 25 25 LYS HD3 H 1 1.490 0.010 . 2 . . . A 25 LYS HD3 . 11451 1 244 . 1 1 25 25 LYS CA C 13 60.239 0.004 . 1 . . . A 25 LYS CA . 11451 1 245 . 1 1 25 25 LYS CB C 13 31.697 0.008 . 1 . . . A 25 LYS CB . 11451 1 246 . 1 1 25 25 LYS CG C 13 24.151 0.008 . 1 . . . A 25 LYS CG . 11451 1 247 . 1 1 25 25 LYS CD C 13 28.236 0.065 . 1 . . . A 25 LYS CD . 11451 1 248 . 1 1 25 25 LYS N N 15 121.050 0.064 . 1 . . . A 25 LYS N . 11451 1 249 . 1 1 26 26 ASN H H 1 7.535 0.006 . 1 . . . A 26 ASN H . 11451 1 250 . 1 1 26 26 ASN HA H 1 4.056 0.006 . 1 . . . A 26 ASN HA . 11451 1 251 . 1 1 26 26 ASN HB2 H 1 2.591 0.004 . 2 . . . A 26 ASN HB2 . 11451 1 252 . 1 1 26 26 ASN HD21 H 1 9.223 0.008 . 2 . . . A 26 ASN HD21 . 11451 1 253 . 1 1 26 26 ASN HD22 H 1 7.924 0.007 . 2 . . . A 26 ASN HD22 . 11451 1 254 . 1 1 26 26 ASN CA C 13 56.559 0.002 . 1 . . . A 26 ASN CA . 11451 1 255 . 1 1 26 26 ASN CB C 13 40.692 0.1 . 1 . . . A 26 ASN CB . 11451 1 256 . 1 1 26 26 ASN N N 15 116.337 0.043 . 1 . . . A 26 ASN N . 11451 1 257 . 1 1 26 26 ASN ND2 N 15 121.633 0.031 . 1 . . . A 26 ASN ND2 . 11451 1 258 . 1 1 27 27 PHE H H 1 7.867 0.005 . 1 . . . A 27 PHE H . 11451 1 259 . 1 1 27 27 PHE HA H 1 4.539 0.007 . 1 . . . A 27 PHE HA . 11451 1 260 . 1 1 27 27 PHE HB3 H 1 2.892 0.003 . 2 . . . A 27 PHE HB3 . 11451 1 261 . 1 1 27 27 PHE HZ H 1 6.432 0.02 . 1 . . . A 27 PHE HZ . 11451 1 262 . 1 1 27 27 PHE CA C 13 60.933 0.1 . 1 . . . A 27 PHE CA . 11451 1 263 . 1 1 27 27 PHE CB C 13 39.831 0.003 . 1 . . . A 27 PHE CB . 11451 1 264 . 1 1 27 27 PHE CZ C 13 128.611 0.1 . 1 . . . A 27 PHE CZ . 11451 1 265 . 1 1 27 27 PHE N N 15 119.858 0.023 . 1 . . . A 27 PHE N . 11451 1 266 . 1 1 28 28 LEU H H 1 9.377 0.005 . 1 . . . A 28 LEU H . 11451 1 267 . 1 1 28 28 LEU HA H 1 3.743 0.013 . 1 . . . A 28 LEU HA . 11451 1 268 . 1 1 28 28 LEU HB3 H 1 1.175 0.009 . 2 . . . A 28 LEU HB3 . 11451 1 269 . 1 1 28 28 LEU HG H 1 1.919 0.004 . 1 . . . A 28 LEU HG . 11451 1 270 . 1 1 28 28 LEU HD11 H 1 0.755 0.004 . 2 . . . A 28 LEU HD11 . 11451 1 271 . 1 1 28 28 LEU HD12 H 1 0.755 0.004 . 2 . . . A 28 LEU HD11 . 11451 1 272 . 1 1 28 28 LEU HD13 H 1 0.755 0.004 . 2 . . . A 28 LEU HD11 . 11451 1 273 . 1 1 28 28 LEU CA C 13 57.868 0.009 . 1 . . . A 28 LEU CA . 11451 1 274 . 1 1 28 28 LEU CB C 13 41.254 0.068 . 1 . . . A 28 LEU CB . 11451 1 275 . 1 1 28 28 LEU CG C 13 26.541 0.002 . 1 . . . A 28 LEU CG . 11451 1 276 . 1 1 28 28 LEU CD1 C 13 25.648 0.005 . 2 . . . A 28 LEU CD1 . 11451 1 277 . 1 1 28 28 LEU N N 15 120.761 0.016 . 1 . . . A 28 LEU N . 11451 1 278 . 1 1 29 29 ASP H H 1 8.374 0.005 . 1 . . . A 29 ASP H . 11451 1 279 . 1 1 29 29 ASP HA H 1 4.295 0.001 . 1 . . . A 29 ASP HA . 11451 1 280 . 1 1 29 29 ASP HB2 H 1 2.507 0.002 . 2 . . . A 29 ASP HB2 . 11451 1 281 . 1 1 29 29 ASP CA C 13 57.829 0.001 . 1 . . . A 29 ASP CA . 11451 1 282 . 1 1 29 29 ASP CB C 13 39.026 0.009 . 1 . . . A 29 ASP CB . 11451 1 283 . 1 1 29 29 ASP N N 15 121.607 0.019 . 1 . . . A 29 ASP N . 11451 1 284 . 1 1 30 30 TYR H H 1 7.287 0.011 . 1 . . . A 30 TYR H . 11451 1 285 . 1 1 30 30 TYR HA H 1 4.005 0.008 . 1 . . . A 30 TYR HA . 11451 1 286 . 1 1 30 30 TYR HB3 H 1 2.037 0.006 . 2 . . . A 30 TYR HB3 . 11451 1 287 . 1 1 30 30 TYR HD1 H 1 6.612 0.002 . 3 . . . A 30 TYR HD1 . 11451 1 288 . 1 1 30 30 TYR HD2 H 1 6.612 0.002 . 3 . . . A 30 TYR HD2 . 11451 1 289 . 1 1 30 30 TYR HE1 H 1 6.169 0.005 . 3 . . . A 30 TYR HE1 . 11451 1 290 . 1 1 30 30 TYR HE2 H 1 6.169 0.005 . 3 . . . A 30 TYR HE2 . 11451 1 291 . 1 1 30 30 TYR HH H 1 9.544 0.001 . 1 . . . A 30 TYR HH . 11451 1 292 . 1 1 30 30 TYR CA C 13 61.747 0.002 . 1 . . . A 30 TYR CA . 11451 1 293 . 1 1 30 30 TYR CB C 13 37.739 0.003 . 1 . . . A 30 TYR CB . 11451 1 294 . 1 1 30 30 TYR CD2 C 13 132.519 0.046 . 3 . . . A 30 TYR CD2 . 11451 1 295 . 1 1 30 30 TYR CE2 C 13 117.049 0.072 . 3 . . . A 30 TYR CE2 . 11451 1 296 . 1 1 30 30 TYR N N 15 118.959 0.022 . 1 . . . A 30 TYR N . 11451 1 297 . 1 1 31 31 CYS H H 1 8.336 0.007 . 1 . . . A 31 CYS H . 11451 1 298 . 1 1 31 31 CYS HA H 1 4.034 0.006 . 1 . . . A 31 CYS HA . 11451 1 299 . 1 1 31 31 CYS HB2 H 1 3.141 0.006 . 2 . . . A 31 CYS HB2 . 11451 1 300 . 1 1 31 31 CYS HG H 1 2.166 0.008 . 1 . . . A 31 CYS HG . 11451 1 301 . 1 1 31 31 CYS CA C 13 64.403 0.009 . 1 . . . A 31 CYS CA . 11451 1 302 . 1 1 31 31 CYS CB C 13 27.221 0.003 . 1 . . . A 31 CYS CB . 11451 1 303 . 1 1 31 31 CYS N N 15 116.202 0.015 . 1 . . . A 31 CYS N . 11451 1 304 . 1 1 32 32 ARG H H 1 9.077 0.004 . 1 . . . A 32 ARG H . 11451 1 305 . 1 1 32 32 ARG HA H 1 3.862 0.006 . 1 . . . A 32 ARG HA . 11451 1 306 . 1 1 32 32 ARG HB3 H 1 1.756 0.005 . 2 . . . A 32 ARG HB3 . 11451 1 307 . 1 1 32 32 ARG HD2 H 1 3.053 0.005 . 2 . . . A 32 ARG HD2 . 11451 1 308 . 1 1 32 32 ARG CA C 13 59.719 0.017 . 1 . . . A 32 ARG CA . 11451 1 309 . 1 1 32 32 ARG CB C 13 30.374 0.007 . 1 . . . A 32 ARG CB . 11451 1 310 . 1 1 32 32 ARG CD C 13 42.862 0.004 . 1 . . . A 32 ARG CD . 11451 1 311 . 1 1 32 32 ARG N N 15 121.949 0.037 . 1 . . . A 32 ARG N . 11451 1 312 . 1 1 33 33 GLU H H 1 7.920 0.003 . 1 . . . A 33 GLU H . 11451 1 313 . 1 1 33 33 GLU HA H 1 4.187 0.002 . 1 . . . A 33 GLU HA . 11451 1 314 . 1 1 33 33 GLU HB2 H 1 2.038 0.004 . 2 . . . A 33 GLU HB2 . 11451 1 315 . 1 1 33 33 GLU HG2 H 1 2.330 0.003 . 2 . . . A 33 GLU HG2 . 11451 1 316 . 1 1 33 33 GLU CA C 13 56.448 0.002 . 1 . . . A 33 GLU CA . 11451 1 317 . 1 1 33 33 GLU CB C 13 29.258 0.005 . 1 . . . A 33 GLU CB . 11451 1 318 . 1 1 33 33 GLU CG C 13 36.017 0.1 . 1 . . . A 33 GLU CG . 11451 1 319 . 1 1 33 33 GLU N N 15 116.667 0.007 . 1 . . . A 33 GLU N . 11451 1 320 . 1 1 34 34 GLY H H 1 7.533 0.004 . 1 . . . A 34 GLY H . 11451 1 321 . 1 1 34 34 GLY HA2 H 1 3.721 0.004 . 2 . . . A 34 GLY HA2 . 11451 1 322 . 1 1 34 34 GLY CA C 13 45.398 0.003 . 1 . . . A 34 GLY CA . 11451 1 323 . 1 1 34 34 GLY N N 15 107.273 0.029 . 1 . . . A 34 GLY N . 11451 1 324 . 1 1 35 35 PHE H H 1 8.129 0.002 . 1 . . . A 35 PHE H . 11451 1 325 . 1 1 35 35 PHE HA H 1 3.665 0.005 . 1 . . . A 35 PHE HA . 11451 1 326 . 1 1 35 35 PHE HB3 H 1 2.331 0.008 . 2 . . . A 35 PHE HB3 . 11451 1 327 . 1 1 35 35 PHE HD1 H 1 6.302 0.003 . 3 . . . A 35 PHE HD1 . 11451 1 328 . 1 1 35 35 PHE HD2 H 1 6.302 0.003 . 3 . . . A 35 PHE HD2 . 11451 1 329 . 1 1 35 35 PHE HE1 H 1 7.135 0.005 . 3 . . . A 35 PHE HE1 . 11451 1 330 . 1 1 35 35 PHE HE2 H 1 7.135 0.005 . 3 . . . A 35 PHE HE2 . 11451 1 331 . 1 1 35 35 PHE HZ H 1 6.647 0.02 . 1 . . . A 35 PHE HZ . 11451 1 332 . 1 1 35 35 PHE CA C 13 61.605 0.001 . 1 . . . A 35 PHE CA . 11451 1 333 . 1 1 35 35 PHE CB C 13 40.070 0.001 . 1 . . . A 35 PHE CB . 11451 1 334 . 1 1 35 35 PHE CD2 C 13 131.171 0.048 . 3 . . . A 35 PHE CD2 . 11451 1 335 . 1 1 35 35 PHE CE2 C 13 131.097 0.020 . 3 . . . A 35 PHE CE2 . 11451 1 336 . 1 1 35 35 PHE CZ C 13 129.458 0.1 . 1 . . . A 35 PHE CZ . 11451 1 337 . 1 1 35 35 PHE N N 15 122.134 0.036 . 1 . . . A 35 PHE N . 11451 1 338 . 1 1 36 36 TYR H H 1 7.355 0.004 . 1 . . . A 36 TYR H . 11451 1 339 . 1 1 36 36 TYR HA H 1 4.324 0.005 . 1 . . . A 36 TYR HA . 11451 1 340 . 1 1 36 36 TYR HB3 H 1 2.911 0.003 . 2 . . . A 36 TYR HB3 . 11451 1 341 . 1 1 36 36 TYR HD1 H 1 7.041 0.02 . 3 . . . A 36 TYR HD1 . 11451 1 342 . 1 1 36 36 TYR HD2 H 1 7.041 0.02 . 3 . . . A 36 TYR HD2 . 11451 1 343 . 1 1 36 36 TYR HE1 H 1 7.031 0.006 . 3 . . . A 36 TYR HE1 . 11451 1 344 . 1 1 36 36 TYR HE2 H 1 7.031 0.006 . 3 . . . A 36 TYR HE2 . 11451 1 345 . 1 1 36 36 TYR HH H 1 9.414 0.006 . 1 . . . A 36 TYR HH . 11451 1 346 . 1 1 36 36 TYR CA C 13 57.678 0.087 . 1 . . . A 36 TYR CA . 11451 1 347 . 1 1 36 36 TYR CB C 13 37.460 0.1 . 1 . . . A 36 TYR CB . 11451 1 348 . 1 1 36 36 TYR CD1 C 13 131.155 0.068 . 3 . . . A 36 TYR CD1 . 11451 1 349 . 1 1 36 36 TYR CE1 C 13 119.470 0.058 . 3 . . . A 36 TYR CE1 . 11451 1 350 . 1 1 36 36 TYR N N 15 111.250 0.026 . 1 . . . A 36 TYR N . 11451 1 351 . 1 1 37 37 ASN H H 1 7.106 0.010 . 1 . . . A 37 ASN H . 11451 1 352 . 1 1 37 37 ASN HA H 1 3.825 0.005 . 1 . . . A 37 ASN HA . 11451 1 353 . 1 1 37 37 ASN HB2 H 1 2.839 0.002 . 2 . . . A 37 ASN HB2 . 11451 1 354 . 1 1 37 37 ASN HD21 H 1 7.584 0.005 . 2 . . . A 37 ASN HD21 . 11451 1 355 . 1 1 37 37 ASN HD22 H 1 7.211 0.003 . 2 . . . A 37 ASN HD22 . 11451 1 356 . 1 1 37 37 ASN CA C 13 54.179 0.002 . 1 . . . A 37 ASN CA . 11451 1 357 . 1 1 37 37 ASN CB C 13 35.855 0.008 . 1 . . . A 37 ASN CB . 11451 1 358 . 1 1 37 37 ASN N N 15 121.890 0.050 . 1 . . . A 37 ASN N . 11451 1 359 . 1 1 37 37 ASN ND2 N 15 111.757 0.073 . 1 . . . A 37 ASN ND2 . 11451 1 360 . 1 1 38 38 ASN H H 1 9.235 0.004 . 1 . . . A 38 ASN H . 11451 1 361 . 1 1 38 38 ASN HA H 1 4.048 0.004 . 1 . . . A 38 ASN HA . 11451 1 362 . 1 1 38 38 ASN HB2 H 1 2.388 0.005 . 2 . . . A 38 ASN HB2 . 11451 1 363 . 1 1 38 38 ASN HD21 H 1 7.399 0.02 . 2 . . . A 38 ASN HD21 . 11451 1 364 . 1 1 38 38 ASN HD22 H 1 6.582 0.02 . 2 . . . A 38 ASN HD22 . 11451 1 365 . 1 1 38 38 ASN CA C 13 54.720 0.001 . 1 . . . A 38 ASN CA . 11451 1 366 . 1 1 38 38 ASN CB C 13 38.538 0.005 . 1 . . . A 38 ASN CB . 11451 1 367 . 1 1 38 38 ASN N N 15 121.572 0.038 . 1 . . . A 38 ASN N . 11451 1 368 . 1 1 38 38 ASN ND2 N 15 111.212 0.2 . 1 . . . A 38 ASN ND2 . 11451 1 369 . 1 1 39 39 THR H H 1 7.328 0.006 . 1 . . . A 39 THR H . 11451 1 370 . 1 1 39 39 THR HA H 1 5.006 0.007 . 1 . . . A 39 THR HA . 11451 1 371 . 1 1 39 39 THR HB H 1 3.923 0.004 . 1 . . . A 39 THR HB . 11451 1 372 . 1 1 39 39 THR HG1 H 1 5.675 0.011 . 1 . . . A 39 THR HG1 . 11451 1 373 . 1 1 39 39 THR HG21 H 1 0.634 0.010 . 1 . . . A 39 THR HG21 . 11451 1 374 . 1 1 39 39 THR HG22 H 1 0.634 0.010 . 1 . . . A 39 THR HG21 . 11451 1 375 . 1 1 39 39 THR HG23 H 1 0.634 0.010 . 1 . . . A 39 THR HG21 . 11451 1 376 . 1 1 39 39 THR CA C 13 59.979 0.002 . 1 . . . A 39 THR CA . 11451 1 377 . 1 1 39 39 THR CB C 13 72.789 0.008 . 1 . . . A 39 THR CB . 11451 1 378 . 1 1 39 39 THR CG2 C 13 22.136 0.005 . 1 . . . A 39 THR CG2 . 11451 1 379 . 1 1 39 39 THR N N 15 104.540 0.028 . 1 . . . A 39 THR N . 11451 1 380 . 1 1 40 40 ILE H H 1 7.943 0.005 . 1 . . . A 40 ILE H . 11451 1 381 . 1 1 40 40 ILE HA H 1 5.669 0.007 . 1 . . . A 40 ILE HA . 11451 1 382 . 1 1 40 40 ILE HB H 1 2.306 0.012 . 1 . . . A 40 ILE HB . 11451 1 383 . 1 1 40 40 ILE HG12 H 1 0.817 0.007 . 2 . . . A 40 ILE HG12 . 11451 1 384 . 1 1 40 40 ILE HG21 H 1 0.514 0.006 . 1 . . . A 40 ILE HG21 . 11451 1 385 . 1 1 40 40 ILE HG22 H 1 0.514 0.006 . 1 . . . A 40 ILE HG21 . 11451 1 386 . 1 1 40 40 ILE HG23 H 1 0.514 0.006 . 1 . . . A 40 ILE HG21 . 11451 1 387 . 1 1 40 40 ILE HD11 H 1 0.626 0.001 . 1 . . . A 40 ILE HD11 . 11451 1 388 . 1 1 40 40 ILE HD12 H 1 0.626 0.001 . 1 . . . A 40 ILE HD11 . 11451 1 389 . 1 1 40 40 ILE HD13 H 1 0.626 0.001 . 1 . . . A 40 ILE HD11 . 11451 1 390 . 1 1 40 40 ILE CA C 13 58.800 0.1 . 1 . . . A 40 ILE CA . 11451 1 391 . 1 1 40 40 ILE CB C 13 39.724 0.1 . 1 . . . A 40 ILE CB . 11451 1 392 . 1 1 40 40 ILE CG1 C 13 24.816 0.017 . 1 . . . A 40 ILE CG1 . 11451 1 393 . 1 1 40 40 ILE CG2 C 13 17.332 0.002 . 1 . . . A 40 ILE CG2 . 11451 1 394 . 1 1 40 40 ILE CD1 C 13 12.615 0.002 . 1 . . . A 40 ILE CD1 . 11451 1 395 . 1 1 40 40 ILE N N 15 108.904 0.033 . 1 . . . A 40 ILE N . 11451 1 396 . 1 1 41 41 PHE H H 1 8.289 0.008 . 1 . . . A 41 PHE H . 11451 1 397 . 1 1 41 41 PHE HA H 1 4.960 0.011 . 1 . . . A 41 PHE HA . 11451 1 398 . 1 1 41 41 PHE HB3 H 1 2.436 0.005 . 2 . . . A 41 PHE HB3 . 11451 1 399 . 1 1 41 41 PHE HD1 H 1 6.820 0.001 . 3 . . . A 41 PHE HD1 . 11451 1 400 . 1 1 41 41 PHE HD2 H 1 6.820 0.001 . 3 . . . A 41 PHE HD2 . 11451 1 401 . 1 1 41 41 PHE HE1 H 1 6.866 0.006 . 3 . . . A 41 PHE HE1 . 11451 1 402 . 1 1 41 41 PHE HE2 H 1 6.866 0.006 . 3 . . . A 41 PHE HE2 . 11451 1 403 . 1 1 41 41 PHE HZ H 1 6.775 0.02 . 1 . . . A 41 PHE HZ . 11451 1 404 . 1 1 41 41 PHE CA C 13 58.817 0.003 . 1 . . . A 41 PHE CA . 11451 1 405 . 1 1 41 41 PHE CB C 13 37.410 0.001 . 1 . . . A 41 PHE CB . 11451 1 406 . 1 1 41 41 PHE CD1 C 13 131.100 0.046 . 3 . . . A 41 PHE CD1 . 11451 1 407 . 1 1 41 41 PHE CE1 C 13 129.902 0.058 . 3 . . . A 41 PHE CE1 . 11451 1 408 . 1 1 41 41 PHE CZ C 13 127.868 0.1 . 1 . . . A 41 PHE CZ . 11451 1 409 . 1 1 41 41 PHE N N 15 122.068 0.029 . 1 . . . A 41 PHE N . 11451 1 410 . 1 1 42 42 HIS H H 1 7.862 0.003 . 1 . . . A 42 HIS H . 11451 1 411 . 1 1 42 42 HIS HA H 1 4.276 0.002 . 1 . . . A 42 HIS HA . 11451 1 412 . 1 1 42 42 HIS HB2 H 1 2.354 0.005 . 2 . . . A 42 HIS HB2 . 11451 1 413 . 1 1 42 42 HIS HB3 H 1 2.344 0.02 . 2 . . . A 42 HIS HB3 . 11451 1 414 . 1 1 42 42 HIS HD2 H 1 6.417 0.003 . 1 . . . A 42 HIS HD2 . 11451 1 415 . 1 1 42 42 HIS HE1 H 1 7.541 0.015 . 1 . . . A 42 HIS HE1 . 11451 1 416 . 1 1 42 42 HIS CA C 13 56.598 0.1 . 1 . . . A 42 HIS CA . 11451 1 417 . 1 1 42 42 HIS CB C 13 31.663 0.037 . 1 . . . A 42 HIS CB . 11451 1 418 . 1 1 42 42 HIS CD2 C 13 118.755 0.016 . 1 . . . A 42 HIS CD2 . 11451 1 419 . 1 1 42 42 HIS CE1 C 13 138.350 0.060 . 1 . . . A 42 HIS CE1 . 11451 1 420 . 1 1 42 42 HIS N N 15 121.477 0.012 . 1 . . . A 42 HIS N . 11451 1 421 . 1 1 43 43 ARG H H 1 6.933 0.003 . 1 . . . A 43 ARG H . 11451 1 422 . 1 1 43 43 ARG HA H 1 4.616 0.02 . 1 . . . A 43 ARG HA . 11451 1 423 . 1 1 43 43 ARG HB3 H 1 1.060 0.001 . 2 . . . A 43 ARG HB3 . 11451 1 424 . 1 1 43 43 ARG HG3 H 1 1.492 0.004 . 2 . . . A 43 ARG HG3 . 11451 1 425 . 1 1 43 43 ARG HD2 H 1 2.883 0.012 . 2 . . . A 43 ARG HD2 . 11451 1 426 . 1 1 43 43 ARG CA C 13 55.318 0.1 . 1 . . . A 43 ARG CA . 11451 1 427 . 1 1 43 43 ARG CB C 13 32.275 0.1 . 1 . . . A 43 ARG CB . 11451 1 428 . 1 1 43 43 ARG CG C 13 27.072 0.059 . 1 . . . A 43 ARG CG . 11451 1 429 . 1 1 43 43 ARG CD C 13 43.021 0.002 . 1 . . . A 43 ARG CD . 11451 1 430 . 1 1 43 43 ARG N N 15 123.403 0.024 . 1 . . . A 43 ARG N . 11451 1 431 . 1 1 44 44 VAL H H 1 9.023 0.006 . 1 . . . A 44 VAL H . 11451 1 432 . 1 1 44 44 VAL HA H 1 4.140 0.003 . 1 . . . A 44 VAL HA . 11451 1 433 . 1 1 44 44 VAL HB H 1 1.536 0.006 . 1 . . . A 44 VAL HB . 11451 1 434 . 1 1 44 44 VAL HG21 H 1 0.570 0.003 . 2 . . . A 44 VAL HG21 . 11451 1 435 . 1 1 44 44 VAL HG22 H 1 0.570 0.003 . 2 . . . A 44 VAL HG21 . 11451 1 436 . 1 1 44 44 VAL HG23 H 1 0.570 0.003 . 2 . . . A 44 VAL HG21 . 11451 1 437 . 1 1 44 44 VAL CA C 13 62.374 0.003 . 1 . . . A 44 VAL CA . 11451 1 438 . 1 1 44 44 VAL CB C 13 35.191 0.106 . 1 . . . A 44 VAL CB . 11451 1 439 . 1 1 44 44 VAL CG2 C 13 20.833 0.001 . 2 . . . A 44 VAL CG2 . 11451 1 440 . 1 1 44 44 VAL N N 15 129.359 0.012 . 1 . . . A 44 VAL N . 11451 1 441 . 1 1 45 45 ILE H H 1 8.243 0.008 . 1 . . . A 45 ILE H . 11451 1 442 . 1 1 45 45 ILE HA H 1 4.236 0.005 . 1 . . . A 45 ILE HA . 11451 1 443 . 1 1 45 45 ILE HB H 1 1.780 0.005 . 1 . . . A 45 ILE HB . 11451 1 444 . 1 1 45 45 ILE HG12 H 1 0.854 0.006 . 2 . . . A 45 ILE HG12 . 11451 1 445 . 1 1 45 45 ILE HG21 H 1 0.948 0.009 . 1 . . . A 45 ILE HG21 . 11451 1 446 . 1 1 45 45 ILE HG22 H 1 0.948 0.009 . 1 . . . A 45 ILE HG21 . 11451 1 447 . 1 1 45 45 ILE HG23 H 1 0.948 0.009 . 1 . . . A 45 ILE HG21 . 11451 1 448 . 1 1 45 45 ILE HD11 H 1 0.757 0.014 . 1 . . . A 45 ILE HD11 . 11451 1 449 . 1 1 45 45 ILE HD12 H 1 0.757 0.014 . 1 . . . A 45 ILE HD11 . 11451 1 450 . 1 1 45 45 ILE HD13 H 1 0.757 0.014 . 1 . . . A 45 ILE HD11 . 11451 1 451 . 1 1 45 45 ILE CA C 13 60.464 0.004 . 1 . . . A 45 ILE CA . 11451 1 452 . 1 1 45 45 ILE CB C 13 39.950 0.1 . 1 . . . A 45 ILE CB . 11451 1 453 . 1 1 45 45 ILE CG1 C 13 26.997 0.003 . 1 . . . A 45 ILE CG1 . 11451 1 454 . 1 1 45 45 ILE CG2 C 13 17.484 0.001 . 1 . . . A 45 ILE CG2 . 11451 1 455 . 1 1 45 45 ILE CD1 C 13 13.464 0.1 . 1 . . . A 45 ILE CD1 . 11451 1 456 . 1 1 45 45 ILE N N 15 126.532 0.049 . 1 . . . A 45 ILE N . 11451 1 457 . 1 1 46 46 ASN H H 1 9.127 0.006 . 1 . . . A 46 ASN H . 11451 1 458 . 1 1 46 46 ASN HA H 1 4.161 0.005 . 1 . . . A 46 ASN HA . 11451 1 459 . 1 1 46 46 ASN HB2 H 1 2.851 0.003 . 2 . . . A 46 ASN HB2 . 11451 1 460 . 1 1 46 46 ASN HD21 H 1 7.503 0.004 . 2 . . . A 46 ASN HD21 . 11451 1 461 . 1 1 46 46 ASN HD22 H 1 6.858 0.002 . 2 . . . A 46 ASN HD22 . 11451 1 462 . 1 1 46 46 ASN CA C 13 54.341 0.002 . 1 . . . A 46 ASN CA . 11451 1 463 . 1 1 46 46 ASN CB C 13 36.674 0.002 . 1 . . . A 46 ASN CB . 11451 1 464 . 1 1 46 46 ASN N N 15 128.015 0.019 . 1 . . . A 46 ASN N . 11451 1 465 . 1 1 46 46 ASN ND2 N 15 109.415 0.032 . 1 . . . A 46 ASN ND2 . 11451 1 466 . 1 1 47 47 GLY H H 1 7.542 0.002 . 1 . . . A 47 GLY H . 11451 1 467 . 1 1 47 47 GLY HA2 H 1 3.653 0.003 . 2 . . . A 47 GLY HA2 . 11451 1 468 . 1 1 47 47 GLY CA C 13 45.630 0.1 . 1 . . . A 47 GLY CA . 11451 1 469 . 1 1 47 47 GLY N N 15 110.314 0.032 . 1 . . . A 47 GLY N . 11451 1 470 . 1 1 48 48 PHE H H 1 7.800 0.011 . 1 . . . A 48 PHE H . 11451 1 471 . 1 1 48 48 PHE HA H 1 5.142 0.006 . 1 . . . A 48 PHE HA . 11451 1 472 . 1 1 48 48 PHE HB3 H 1 2.804 0.007 . 2 . . . A 48 PHE HB3 . 11451 1 473 . 1 1 48 48 PHE HD1 H 1 7.194 0.001 . 3 . . . A 48 PHE HD1 . 11451 1 474 . 1 1 48 48 PHE HD2 H 1 7.194 0.001 . 3 . . . A 48 PHE HD2 . 11451 1 475 . 1 1 48 48 PHE HE1 H 1 7.009 0.005 . 3 . . . A 48 PHE HE1 . 11451 1 476 . 1 1 48 48 PHE HE2 H 1 7.009 0.005 . 3 . . . A 48 PHE HE2 . 11451 1 477 . 1 1 48 48 PHE HZ H 1 6.990 0.02 . 1 . . . A 48 PHE HZ . 11451 1 478 . 1 1 48 48 PHE CA C 13 57.500 0.001 . 1 . . . A 48 PHE CA . 11451 1 479 . 1 1 48 48 PHE CB C 13 38.328 0.006 . 1 . . . A 48 PHE CB . 11451 1 480 . 1 1 48 48 PHE CD2 C 13 129.891 0.035 . 3 . . . A 48 PHE CD2 . 11451 1 481 . 1 1 48 48 PHE CE2 C 13 131.267 0.059 . 3 . . . A 48 PHE CE2 . 11451 1 482 . 1 1 48 48 PHE CZ C 13 129.074 0.1 . 1 . . . A 48 PHE CZ . 11451 1 483 . 1 1 48 48 PHE N N 15 116.701 0.033 . 1 . . . A 48 PHE N . 11451 1 484 . 1 1 49 49 MET H H 1 8.363 0.005 . 1 . . . A 49 MET H . 11451 1 485 . 1 1 49 49 MET HA H 1 5.027 0.008 . 1 . . . A 49 MET HA . 11451 1 486 . 1 1 49 49 MET HB2 H 1 1.396 0.006 . 2 . . . A 49 MET HB2 . 11451 1 487 . 1 1 49 49 MET HG2 H 1 0.833 0.001 . 2 . . . A 49 MET HG2 . 11451 1 488 . 1 1 49 49 MET HE1 H 1 1.793 0.003 . 1 . . . A 49 MET HE1 . 11451 1 489 . 1 1 49 49 MET HE2 H 1 1.793 0.003 . 1 . . . A 49 MET HE2 . 11451 1 490 . 1 1 49 49 MET HE3 H 1 1.793 0.003 . 1 . . . A 49 MET HE3 . 11451 1 491 . 1 1 49 49 MET CA C 13 55.009 0.003 . 1 . . . A 49 MET CA . 11451 1 492 . 1 1 49 49 MET CB C 13 35.120 0.017 . 1 . . . A 49 MET CB . 11451 1 493 . 1 1 49 49 MET CG C 13 27.430 0.001 . 1 . . . A 49 MET CG . 11451 1 494 . 1 1 49 49 MET CE C 13 15.765 0.002 . 1 . . . A 49 MET CE . 11451 1 495 . 1 1 49 49 MET N N 15 117.710 0.045 . 1 . . . A 49 MET N . 11451 1 496 . 1 1 50 50 ILE H H 1 7.749 0.007 . 1 . . . A 50 ILE H . 11451 1 497 . 1 1 50 50 ILE HA H 1 4.867 0.005 . 1 . . . A 50 ILE HA . 11451 1 498 . 1 1 50 50 ILE HB H 1 1.402 0.005 . 1 . . . A 50 ILE HB . 11451 1 499 . 1 1 50 50 ILE HG12 H 1 0.787 0.004 . 2 . . . A 50 ILE HG12 . 11451 1 500 . 1 1 50 50 ILE HG21 H 1 0.596 0.011 . 1 . . . A 50 ILE HG21 . 11451 1 501 . 1 1 50 50 ILE HG22 H 1 0.596 0.011 . 1 . . . A 50 ILE HG21 . 11451 1 502 . 1 1 50 50 ILE HG23 H 1 0.596 0.011 . 1 . . . A 50 ILE HG21 . 11451 1 503 . 1 1 50 50 ILE HD11 H 1 0.123 0.003 . 1 . . . A 50 ILE HD11 . 11451 1 504 . 1 1 50 50 ILE HD12 H 1 0.123 0.003 . 1 . . . A 50 ILE HD11 . 11451 1 505 . 1 1 50 50 ILE HD13 H 1 0.123 0.003 . 1 . . . A 50 ILE HD11 . 11451 1 506 . 1 1 50 50 ILE CA C 13 59.735 0.026 . 1 . . . A 50 ILE CA . 11451 1 507 . 1 1 50 50 ILE CB C 13 40.261 0.003 . 1 . . . A 50 ILE CB . 11451 1 508 . 1 1 50 50 ILE CG1 C 13 25.453 0.002 . 1 . . . A 50 ILE CG1 . 11451 1 509 . 1 1 50 50 ILE CG2 C 13 18.015 0.003 . 1 . . . A 50 ILE CG2 . 11451 1 510 . 1 1 50 50 ILE CD1 C 13 13.716 0.004 . 1 . . . A 50 ILE CD1 . 11451 1 511 . 1 1 50 50 ILE N N 15 110.774 0.007 . 1 . . . A 50 ILE N . 11451 1 512 . 1 1 51 51 GLN H H 1 9.198 0.015 . 1 . . . A 51 GLN H . 11451 1 513 . 1 1 51 51 GLN HA H 1 5.201 0.011 . 1 . . . A 51 GLN HA . 11451 1 514 . 1 1 51 51 GLN HB2 H 1 2.008 0.02 . 2 . . . A 51 GLN HB2 . 11451 1 515 . 1 1 51 51 GLN HG2 H 1 1.865 0.005 . 2 . . . A 51 GLN HG2 . 11451 1 516 . 1 1 51 51 GLN CA C 13 54.052 0.004 . 1 . . . A 51 GLN CA . 11451 1 517 . 1 1 51 51 GLN CB C 13 31.684 0.1 . 1 . . . A 51 GLN CB . 11451 1 518 . 1 1 51 51 GLN CG C 13 34.177 0.008 . 1 . . . A 51 GLN CG . 11451 1 519 . 1 1 51 51 GLN N N 15 127.997 0.012 . 1 . . . A 51 GLN N . 11451 1 520 . 1 1 52 52 GLY H H 1 8.037 0.004 . 1 . . . A 52 GLY H . 11451 1 521 . 1 1 52 52 GLY HA2 H 1 4.960 0.010 . 2 . . . A 52 GLY HA2 . 11451 1 522 . 1 1 52 52 GLY CA C 13 45.293 0.1 . 1 . . . A 52 GLY CA . 11451 1 523 . 1 1 52 52 GLY N N 15 111.413 0.076 . 1 . . . A 52 GLY N . 11451 1 524 . 1 1 53 53 GLY H H 1 8.334 0.005 . 1 . . . A 53 GLY H . 11451 1 525 . 1 1 53 53 GLY HA2 H 1 3.804 0.007 . 2 . . . A 53 GLY HA2 . 11451 1 526 . 1 1 53 53 GLY CA C 13 46.077 0.006 . 1 . . . A 53 GLY CA . 11451 1 527 . 1 1 53 53 GLY N N 15 106.177 0.043 . 1 . . . A 53 GLY N . 11451 1 528 . 1 1 54 54 GLY H H 1 9.068 0.005 . 1 . . . A 54 GLY H . 11451 1 529 . 1 1 54 54 GLY HA2 H 1 4.650 0.02 . 2 . . . A 54 GLY HA2 . 11451 1 530 . 1 1 54 54 GLY CA C 13 44.412 0.1 . 1 . . . A 54 GLY CA . 11451 1 531 . 1 1 54 54 GLY N N 15 129.939 0.041 . 1 . . . A 54 GLY N . 11451 1 532 . 1 1 55 55 PHE H H 1 9.329 0.009 . 1 . . . A 55 PHE H . 11451 1 533 . 1 1 55 55 PHE HA H 1 4.887 0.011 . 1 . . . A 55 PHE HA . 11451 1 534 . 1 1 55 55 PHE HB3 H 1 2.563 0.003 . 2 . . . A 55 PHE HB3 . 11451 1 535 . 1 1 55 55 PHE HD1 H 1 6.016 0.001 . 3 . . . A 55 PHE HD1 . 11451 1 536 . 1 1 55 55 PHE HD2 H 1 6.016 0.001 . 3 . . . A 55 PHE HD2 . 11451 1 537 . 1 1 55 55 PHE HE1 H 1 6.653 0.005 . 3 . . . A 55 PHE HE1 . 11451 1 538 . 1 1 55 55 PHE HE2 H 1 6.653 0.005 . 3 . . . A 55 PHE HE2 . 11451 1 539 . 1 1 55 55 PHE HZ H 1 6.963 0.02 . 1 . . . A 55 PHE HZ . 11451 1 540 . 1 1 55 55 PHE CA C 13 56.698 0.003 . 1 . . . A 55 PHE CA . 11451 1 541 . 1 1 55 55 PHE CB C 13 41.846 0.002 . 1 . . . A 55 PHE CB . 11451 1 542 . 1 1 55 55 PHE CD1 C 13 130.016 0.040 . 3 . . . A 55 PHE CD1 . 11451 1 543 . 1 1 55 55 PHE CE1 C 13 130.240 0.053 . 3 . . . A 55 PHE CE1 . 11451 1 544 . 1 1 55 55 PHE CZ C 13 129.152 0.1 . 1 . . . A 55 PHE CZ . 11451 1 545 . 1 1 55 55 PHE N N 15 121.195 0.090 . 1 . . . A 55 PHE N . 11451 1 546 . 1 1 56 56 GLU H H 1 8.531 0.006 . 1 . . . A 56 GLU H . 11451 1 547 . 1 1 56 56 GLU HA H 1 4.848 0.003 . 1 . . . A 56 GLU HA . 11451 1 548 . 1 1 56 56 GLU HB2 H 1 1.666 0.02 . 2 . . . A 56 GLU HB2 . 11451 1 549 . 1 1 56 56 GLU HG2 H 1 2.243 0.002 . 2 . . . A 56 GLU HG2 . 11451 1 550 . 1 1 56 56 GLU CA C 13 54.199 0.002 . 1 . . . A 56 GLU CA . 11451 1 551 . 1 1 56 56 GLU CB C 13 29.452 0.1 . 1 . . . A 56 GLU CB . 11451 1 552 . 1 1 56 56 GLU CG C 13 36.909 0.1 . 1 . . . A 56 GLU CG . 11451 1 553 . 1 1 56 56 GLU N N 15 120.126 0.039 . 1 . . . A 56 GLU N . 11451 1 554 . 1 1 57 57 PRO HA H 1 3.990 0.002 . 1 . . . A 57 PRO HA . 11451 1 555 . 1 1 57 57 PRO HB3 H 1 1.599 0.003 . 2 . . . A 57 PRO HB3 . 11451 1 556 . 1 1 57 57 PRO HG2 H 1 1.991 0.005 . 2 . . . A 57 PRO HG2 . 11451 1 557 . 1 1 57 57 PRO HD2 H 1 3.428 0.003 . 2 . . . A 57 PRO HD2 . 11451 1 558 . 1 1 57 57 PRO HD3 H 1 3.651 0.02 . 2 . . . A 57 PRO HD3 . 11451 1 559 . 1 1 57 57 PRO CA C 13 64.863 0.007 . 1 . . . A 57 PRO CA . 11451 1 560 . 1 1 57 57 PRO CB C 13 30.868 0.1 . 1 . . . A 57 PRO CB . 11451 1 561 . 1 1 57 57 PRO CG C 13 27.380 0.001 . 1 . . . A 57 PRO CG . 11451 1 562 . 1 1 57 57 PRO CD C 13 50.767 0.122 . 1 . . . A 57 PRO CD . 11451 1 563 . 1 1 58 58 GLY H H 1 9.454 0.003 . 1 . . . A 58 GLY H . 11451 1 564 . 1 1 58 58 GLY HA2 H 1 3.500 0.002 . 2 . . . A 58 GLY HA2 . 11451 1 565 . 1 1 58 58 GLY CA C 13 44.366 0.001 . 1 . . . A 58 GLY CA . 11451 1 566 . 1 1 58 58 GLY N N 15 113.477 0.019 . 1 . . . A 58 GLY N . 11451 1 567 . 1 1 59 59 MET H H 1 8.027 0.009 . 1 . . . A 59 MET H . 11451 1 568 . 1 1 59 59 MET HA H 1 3.946 0.008 . 1 . . . A 59 MET HA . 11451 1 569 . 1 1 59 59 MET HB2 H 1 2.001 0.006 . 2 . . . A 59 MET HB2 . 11451 1 570 . 1 1 59 59 MET HG2 H 1 2.063 0.003 . 2 . . . A 59 MET HG2 . 11451 1 571 . 1 1 59 59 MET HE1 H 1 1.067 0.006 . 1 . . . A 59 MET HE1 . 11451 1 572 . 1 1 59 59 MET HE2 H 1 1.067 0.006 . 1 . . . A 59 MET HE2 . 11451 1 573 . 1 1 59 59 MET HE3 H 1 1.067 0.006 . 1 . . . A 59 MET HE3 . 11451 1 574 . 1 1 59 59 MET CA C 13 54.650 0.001 . 1 . . . A 59 MET CA . 11451 1 575 . 1 1 59 59 MET CB C 13 25.875 0.002 . 1 . . . A 59 MET CB . 11451 1 576 . 1 1 59 59 MET CG C 13 31.419 0.002 . 1 . . . A 59 MET CG . 11451 1 577 . 1 1 59 59 MET CE C 13 18.196 0.003 . 1 . . . A 59 MET CE . 11451 1 578 . 1 1 59 59 MET N N 15 114.007 0.044 . 1 . . . A 59 MET N . 11451 1 579 . 1 1 60 60 LYS H H 1 6.996 0.006 . 1 . . . A 60 LYS H . 11451 1 580 . 1 1 60 60 LYS HA H 1 4.466 0.02 . 1 . . . A 60 LYS HA . 11451 1 581 . 1 1 60 60 LYS HB3 H 1 1.601 0.003 . 2 . . . A 60 LYS HB3 . 11451 1 582 . 1 1 60 60 LYS HG3 H 1 1.238 0.003 . 2 . . . A 60 LYS HG3 . 11451 1 583 . 1 1 60 60 LYS HD3 H 1 1.528 0.004 . 2 . . . A 60 LYS HD3 . 11451 1 584 . 1 1 60 60 LYS HE2 H 1 2.844 0.002 . 2 . . . A 60 LYS HE2 . 11451 1 585 . 1 1 60 60 LYS CA C 13 54.958 0.1 . 1 . . . A 60 LYS CA . 11451 1 586 . 1 1 60 60 LYS CB C 13 32.310 0.1 . 1 . . . A 60 LYS CB . 11451 1 587 . 1 1 60 60 LYS CG C 13 23.863 0.001 . 1 . . . A 60 LYS CG . 11451 1 588 . 1 1 60 60 LYS CD C 13 28.452 0.012 . 1 . . . A 60 LYS CD . 11451 1 589 . 1 1 60 60 LYS CE C 13 41.758 0.002 . 1 . . . A 60 LYS CE . 11451 1 590 . 1 1 60 60 LYS N N 15 120.420 0.056 . 1 . . . A 60 LYS N . 11451 1 591 . 1 1 61 61 GLN H H 1 8.965 0.008 . 1 . . . A 61 GLN H . 11451 1 592 . 1 1 61 61 GLN HA H 1 3.386 0.009 . 1 . . . A 61 GLN HA . 11451 1 593 . 1 1 61 61 GLN HB2 H 1 1.641 0.003 . 2 . . . A 61 GLN HB2 . 11451 1 594 . 1 1 61 61 GLN HG2 H 1 1.931 0.006 . 2 . . . A 61 GLN HG2 . 11451 1 595 . 1 1 61 61 GLN HE21 H 1 7.093 0.005 . 2 . . . A 61 GLN HE21 . 11451 1 596 . 1 1 61 61 GLN HE22 H 1 6.643 0.009 . 2 . . . A 61 GLN HE22 . 11451 1 597 . 1 1 61 61 GLN CA C 13 56.779 0.003 . 1 . . . A 61 GLN CA . 11451 1 598 . 1 1 61 61 GLN CB C 13 28.441 0.002 . 1 . . . A 61 GLN CB . 11451 1 599 . 1 1 61 61 GLN CG C 13 33.001 0.002 . 1 . . . A 61 GLN CG . 11451 1 600 . 1 1 61 61 GLN N N 15 130.250 0.013 . 1 . . . A 61 GLN N . 11451 1 601 . 1 1 61 61 GLN NE2 N 15 110.983 0.094 . 1 . . . A 61 GLN NE2 . 11451 1 602 . 1 1 62 62 LYS H H 1 7.323 0.007 . 1 . . . A 62 LYS H . 11451 1 603 . 1 1 62 62 LYS HA H 1 4.130 0.003 . 1 . . . A 62 LYS HA . 11451 1 604 . 1 1 62 62 LYS HB3 H 1 1.407 0.002 . 2 . . . A 62 LYS HB3 . 11451 1 605 . 1 1 62 62 LYS HG3 H 1 1.038 0.005 . 2 . . . A 62 LYS HG3 . 11451 1 606 . 1 1 62 62 LYS HD3 H 1 0.383 0.010 . 2 . . . A 62 LYS HD3 . 11451 1 607 . 1 1 62 62 LYS HE2 H 1 2.119 0.004 . 2 . . . A 62 LYS HE2 . 11451 1 608 . 1 1 62 62 LYS CA C 13 56.690 0.001 . 1 . . . A 62 LYS CA . 11451 1 609 . 1 1 62 62 LYS CB C 13 32.772 0.004 . 1 . . . A 62 LYS CB . 11451 1 610 . 1 1 62 62 LYS CG C 13 25.627 0.1 . 1 . . . A 62 LYS CG . 11451 1 611 . 1 1 62 62 LYS CD C 13 27.785 0.009 . 1 . . . A 62 LYS CD . 11451 1 612 . 1 1 62 62 LYS CE C 13 41.019 0.002 . 1 . . . A 62 LYS CE . 11451 1 613 . 1 1 62 62 LYS N N 15 126.196 0.029 . 1 . . . A 62 LYS N . 11451 1 614 . 1 1 63 63 ALA H H 1 8.458 0.008 . 1 . . . A 63 ALA H . 11451 1 615 . 1 1 63 63 ALA HA H 1 4.284 0.002 . 1 . . . A 63 ALA HA . 11451 1 616 . 1 1 63 63 ALA HB1 H 1 1.322 0.008 . 1 . . . A 63 ALA HB1 . 11451 1 617 . 1 1 63 63 ALA HB2 H 1 1.322 0.008 . 1 . . . A 63 ALA HB1 . 11451 1 618 . 1 1 63 63 ALA HB3 H 1 1.322 0.008 . 1 . . . A 63 ALA HB1 . 11451 1 619 . 1 1 63 63 ALA CA C 13 52.645 0.1 . 1 . . . A 63 ALA CA . 11451 1 620 . 1 1 63 63 ALA CB C 13 18.373 0.002 . 1 . . . A 63 ALA CB . 11451 1 621 . 1 1 63 63 ALA N N 15 127.588 0.037 . 1 . . . A 63 ALA N . 11451 1 622 . 1 1 64 64 THR H H 1 8.122 0.004 . 1 . . . A 64 THR H . 11451 1 623 . 1 1 64 64 THR HA H 1 4.550 0.02 . 1 . . . A 64 THR HA . 11451 1 624 . 1 1 64 64 THR HB H 1 4.522 0.003 . 1 . . . A 64 THR HB . 11451 1 625 . 1 1 64 64 THR HG21 H 1 1.073 0.02 . 1 . . . A 64 THR HG21 . 11451 1 626 . 1 1 64 64 THR HG22 H 1 1.073 0.02 . 1 . . . A 64 THR HG21 . 11451 1 627 . 1 1 64 64 THR HG23 H 1 1.073 0.02 . 1 . . . A 64 THR HG21 . 11451 1 628 . 1 1 64 64 THR CA C 13 60.554 0.1 . 1 . . . A 64 THR CA . 11451 1 629 . 1 1 64 64 THR CB C 13 71.700 0.1 . 1 . . . A 64 THR CB . 11451 1 630 . 1 1 64 64 THR CG2 C 13 20.876 0.1 . 1 . . . A 64 THR CG2 . 11451 1 631 . 1 1 64 64 THR N N 15 111.370 0.072 . 1 . . . A 64 THR N . 11451 1 632 . 1 1 65 65 LYS H H 1 7.879 0.013 . 1 . . . A 65 LYS H . 11451 1 633 . 1 1 65 65 LYS HA H 1 4.419 0.006 . 1 . . . A 65 LYS HA . 11451 1 634 . 1 1 65 65 LYS HB3 H 1 1.968 0.012 . 2 . . . A 65 LYS HB3 . 11451 1 635 . 1 1 65 65 LYS HG3 H 1 1.254 0.005 . 2 . . . A 65 LYS HG3 . 11451 1 636 . 1 1 65 65 LYS HD3 H 1 1.385 0.002 . 2 . . . A 65 LYS HD3 . 11451 1 637 . 1 1 65 65 LYS HE2 H 1 2.545 0.005 . 2 . . . A 65 LYS HE2 . 11451 1 638 . 1 1 65 65 LYS CA C 13 55.346 0.1 . 1 . . . A 65 LYS CA . 11451 1 639 . 1 1 65 65 LYS CB C 13 32.482 0.004 . 1 . . . A 65 LYS CB . 11451 1 640 . 1 1 65 65 LYS CG C 13 24.755 0.001 . 1 . . . A 65 LYS CG . 11451 1 641 . 1 1 65 65 LYS CD C 13 28.918 0.005 . 1 . . . A 65 LYS CD . 11451 1 642 . 1 1 65 65 LYS CE C 13 41.497 0.006 . 1 . . . A 65 LYS CE . 11451 1 643 . 1 1 65 65 LYS N N 15 118.451 0.026 . 1 . . . A 65 LYS N . 11451 1 644 . 1 1 66 66 GLU H H 1 7.872 0.002 . 1 . . . A 66 GLU H . 11451 1 645 . 1 1 66 66 GLU HA H 1 4.157 0.006 . 1 . . . A 66 GLU HA . 11451 1 646 . 1 1 66 66 GLU HB2 H 1 1.769 0.005 . 2 . . . A 66 GLU HB2 . 11451 1 647 . 1 1 66 66 GLU HG2 H 1 2.259 0.004 . 2 . . . A 66 GLU HG2 . 11451 1 648 . 1 1 66 66 GLU CA C 13 55.882 0.004 . 1 . . . A 66 GLU CA . 11451 1 649 . 1 1 66 66 GLU CB C 13 28.350 0.1 . 1 . . . A 66 GLU CB . 11451 1 650 . 1 1 66 66 GLU CG C 13 36.179 0.1 . 1 . . . A 66 GLU CG . 11451 1 651 . 1 1 66 66 GLU N N 15 118.805 0.020 . 1 . . . A 66 GLU N . 11451 1 652 . 1 1 67 67 PRO HA H 1 4.854 0.001 . 1 . . . A 67 PRO HA . 11451 1 653 . 1 1 67 67 PRO HB3 H 1 1.912 0.007 . 2 . . . A 67 PRO HB3 . 11451 1 654 . 1 1 67 67 PRO HG2 H 1 1.758 0.001 . 2 . . . A 67 PRO HG2 . 11451 1 655 . 1 1 67 67 PRO HD2 H 1 3.565 0.02 . 2 . . . A 67 PRO HD2 . 11451 1 656 . 1 1 67 67 PRO HD3 H 1 3.445 0.02 . 2 . . . A 67 PRO HD3 . 11451 1 657 . 1 1 67 67 PRO CA C 13 62.155 0.003 . 1 . . . A 67 PRO CA . 11451 1 658 . 1 1 67 67 PRO CB C 13 32.690 0.014 . 1 . . . A 67 PRO CB . 11451 1 659 . 1 1 67 67 PRO CG C 13 26.091 0.132 . 1 . . . A 67 PRO CG . 11451 1 660 . 1 1 67 67 PRO CD C 13 50.194 0.095 . 1 . . . A 67 PRO CD . 11451 1 661 . 1 1 68 68 ILE H H 1 8.235 0.006 . 1 . . . A 68 ILE H . 11451 1 662 . 1 1 68 68 ILE HA H 1 4.437 0.007 . 1 . . . A 68 ILE HA . 11451 1 663 . 1 1 68 68 ILE HB H 1 1.708 0.007 . 1 . . . A 68 ILE HB . 11451 1 664 . 1 1 68 68 ILE HG12 H 1 0.810 0.005 . 2 . . . A 68 ILE HG12 . 11451 1 665 . 1 1 68 68 ILE HG21 H 1 0.618 0.004 . 1 . . . A 68 ILE HG21 . 11451 1 666 . 1 1 68 68 ILE HG22 H 1 0.618 0.004 . 1 . . . A 68 ILE HG21 . 11451 1 667 . 1 1 68 68 ILE HG23 H 1 0.618 0.004 . 1 . . . A 68 ILE HG21 . 11451 1 668 . 1 1 68 68 ILE HD11 H 1 0.741 0.002 . 1 . . . A 68 ILE HD11 . 11451 1 669 . 1 1 68 68 ILE HD12 H 1 0.741 0.002 . 1 . . . A 68 ILE HD11 . 11451 1 670 . 1 1 68 68 ILE HD13 H 1 0.741 0.002 . 1 . . . A 68 ILE HD11 . 11451 1 671 . 1 1 68 68 ILE CA C 13 58.971 0.002 . 1 . . . A 68 ILE CA . 11451 1 672 . 1 1 68 68 ILE CB C 13 41.525 0.009 . 1 . . . A 68 ILE CB . 11451 1 673 . 1 1 68 68 ILE CG1 C 13 24.796 0.016 . 1 . . . A 68 ILE CG1 . 11451 1 674 . 1 1 68 68 ILE CG2 C 13 17.612 0.140 . 1 . . . A 68 ILE CG2 . 11451 1 675 . 1 1 68 68 ILE CD1 C 13 15.544 0.001 . 1 . . . A 68 ILE CD1 . 11451 1 676 . 1 1 68 68 ILE N N 15 112.686 0.037 . 1 . . . A 68 ILE N . 11451 1 677 . 1 1 69 69 LYS H H 1 7.849 0.011 . 1 . . . A 69 LYS H . 11451 1 678 . 1 1 69 69 LYS HA H 1 3.941 0.004 . 1 . . . A 69 LYS HA . 11451 1 679 . 1 1 69 69 LYS HB3 H 1 1.296 0.009 . 2 . . . A 69 LYS HB3 . 11451 1 680 . 1 1 69 69 LYS HG3 H 1 0.985 0.002 . 2 . . . A 69 LYS HG3 . 11451 1 681 . 1 1 69 69 LYS HD3 H 1 1.264 0.004 . 2 . . . A 69 LYS HD3 . 11451 1 682 . 1 1 69 69 LYS HE2 H 1 2.695 0.041 . 2 . . . A 69 LYS HE2 . 11451 1 683 . 1 1 69 69 LYS CA C 13 55.060 0.002 . 1 . . . A 69 LYS CA . 11451 1 684 . 1 1 69 69 LYS CB C 13 32.140 0.1 . 1 . . . A 69 LYS CB . 11451 1 685 . 1 1 69 69 LYS CG C 13 23.595 0.1 . 1 . . . A 69 LYS CG . 11451 1 686 . 1 1 69 69 LYS CD C 13 28.147 0.005 . 1 . . . A 69 LYS CD . 11451 1 687 . 1 1 69 69 LYS CE C 13 41.385 0.003 . 1 . . . A 69 LYS CE . 11451 1 688 . 1 1 69 69 LYS N N 15 121.199 0.013 . 1 . . . A 69 LYS N . 11451 1 689 . 1 1 70 70 ASN H H 1 10.816 0.005 . 1 . . . A 70 ASN H . 11451 1 690 . 1 1 70 70 ASN HA H 1 4.222 0.006 . 1 . . . A 70 ASN HA . 11451 1 691 . 1 1 70 70 ASN HB2 H 1 2.229 0.006 . 2 . . . A 70 ASN HB2 . 11451 1 692 . 1 1 70 70 ASN HD21 H 1 7.453 0.02 . 2 . . . A 70 ASN HD21 . 11451 1 693 . 1 1 70 70 ASN HD22 H 1 6.909 0.02 . 2 . . . A 70 ASN HD22 . 11451 1 694 . 1 1 70 70 ASN CA C 13 53.328 0.001 . 1 . . . A 70 ASN CA . 11451 1 695 . 1 1 70 70 ASN CB C 13 37.137 0.1 . 1 . . . A 70 ASN CB . 11451 1 696 . 1 1 70 70 ASN N N 15 126.585 0.025 . 1 . . . A 70 ASN N . 11451 1 697 . 1 1 70 70 ASN ND2 N 15 111.439 0.003 . 1 . . . A 70 ASN ND2 . 11451 1 698 . 1 1 71 71 GLU H H 1 8.202 0.006 . 1 . . . A 71 GLU H . 11451 1 699 . 1 1 71 71 GLU HA H 1 4.653 0.02 . 1 . . . A 71 GLU HA . 11451 1 700 . 1 1 71 71 GLU HB2 H 1 2.265 0.005 . 2 . . . A 71 GLU HB2 . 11451 1 701 . 1 1 71 71 GLU HG2 H 1 1.955 0.007 . 2 . . . A 71 GLU HG2 . 11451 1 702 . 1 1 71 71 GLU CA C 13 55.597 0.1 . 1 . . . A 71 GLU CA . 11451 1 703 . 1 1 71 71 GLU CB C 13 29.780 0.1 . 1 . . . A 71 GLU CB . 11451 1 704 . 1 1 71 71 GLU CG C 13 37.429 0.002 . 1 . . . A 71 GLU CG . 11451 1 705 . 1 1 71 71 GLU N N 15 126.223 0.106 . 1 . . . A 71 GLU N . 11451 1 706 . 1 1 72 72 ALA H H 1 9.149 0.006 . 1 . . . A 72 ALA H . 11451 1 707 . 1 1 72 72 ALA HA H 1 4.232 0.006 . 1 . . . A 72 ALA HA . 11451 1 708 . 1 1 72 72 ALA HB1 H 1 1.878 0.006 . 1 . . . A 72 ALA HB1 . 11451 1 709 . 1 1 72 72 ALA HB2 H 1 1.878 0.006 . 1 . . . A 72 ALA HB1 . 11451 1 710 . 1 1 72 72 ALA HB3 H 1 1.878 0.006 . 1 . . . A 72 ALA HB1 . 11451 1 711 . 1 1 72 72 ALA CA C 13 55.120 0.001 . 1 . . . A 72 ALA CA . 11451 1 712 . 1 1 72 72 ALA CB C 13 18.506 0.004 . 1 . . . A 72 ALA CB . 11451 1 713 . 1 1 72 72 ALA N N 15 120.736 0.007 . 1 . . . A 72 ALA N . 11451 1 714 . 1 1 73 73 ASN H H 1 7.892 0.011 . 1 . . . A 73 ASN H . 11451 1 715 . 1 1 73 73 ASN HA H 1 3.181 0.003 . 1 . . . A 73 ASN HA . 11451 1 716 . 1 1 73 73 ASN HB2 H 1 1.754 0.002 . 2 . . . A 73 ASN HB2 . 11451 1 717 . 1 1 73 73 ASN HD21 H 1 7.364 0.005 . 2 . . . A 73 ASN HD21 . 11451 1 718 . 1 1 73 73 ASN HD22 H 1 6.670 0.008 . 2 . . . A 73 ASN HD22 . 11451 1 719 . 1 1 73 73 ASN CA C 13 52.331 0.001 . 1 . . . A 73 ASN CA . 11451 1 720 . 1 1 73 73 ASN CB C 13 34.676 0.059 . 1 . . . A 73 ASN CB . 11451 1 721 . 1 1 73 73 ASN N N 15 114.744 0.033 . 1 . . . A 73 ASN N . 11451 1 722 . 1 1 73 73 ASN ND2 N 15 111.730 0.047 . 1 . . . A 73 ASN ND2 . 11451 1 723 . 1 1 74 74 ASN H H 1 8.408 0.009 . 1 . . . A 74 ASN H . 11451 1 724 . 1 1 74 74 ASN HA H 1 4.379 0.003 . 1 . . . A 74 ASN HA . 11451 1 725 . 1 1 74 74 ASN HB2 H 1 3.227 0.002 . 2 . . . A 74 ASN HB2 . 11451 1 726 . 1 1 74 74 ASN HD21 H 1 6.560 0.006 . 2 . . . A 74 ASN HD21 . 11451 1 727 . 1 1 74 74 ASN HD22 H 1 6.415 0.007 . 2 . . . A 74 ASN HD22 . 11451 1 728 . 1 1 74 74 ASN CA C 13 52.767 0.005 . 1 . . . A 74 ASN CA . 11451 1 729 . 1 1 74 74 ASN CB C 13 38.415 0.005 . 1 . . . A 74 ASN CB . 11451 1 730 . 1 1 74 74 ASN N N 15 119.796 0.031 . 1 . . . A 74 ASN N . 11451 1 731 . 1 1 74 74 ASN ND2 N 15 106.556 0.076 . 1 . . . A 74 ASN ND2 . 11451 1 732 . 1 1 75 75 GLY H H 1 7.971 0.003 . 1 . . . A 75 GLY H . 11451 1 733 . 1 1 75 75 GLY HA2 H 1 3.627 0.015 . 2 . . . A 75 GLY HA2 . 11451 1 734 . 1 1 75 75 GLY CA C 13 45.627 0.006 . 1 . . . A 75 GLY CA . 11451 1 735 . 1 1 75 75 GLY N N 15 108.891 0.039 . 1 . . . A 75 GLY N . 11451 1 736 . 1 1 76 76 LEU H H 1 7.734 0.018 . 1 . . . A 76 LEU H . 11451 1 737 . 1 1 76 76 LEU HA H 1 4.311 0.007 . 1 . . . A 76 LEU HA . 11451 1 738 . 1 1 76 76 LEU HB3 H 1 1.080 0.003 . 2 . . . A 76 LEU HB3 . 11451 1 739 . 1 1 76 76 LEU HG H 1 1.055 0.005 . 1 . . . A 76 LEU HG . 11451 1 740 . 1 1 76 76 LEU HD11 H 1 0.351 0.007 . 2 . . . A 76 LEU HD11 . 11451 1 741 . 1 1 76 76 LEU HD12 H 1 0.351 0.007 . 2 . . . A 76 LEU HD11 . 11451 1 742 . 1 1 76 76 LEU HD13 H 1 0.351 0.007 . 2 . . . A 76 LEU HD11 . 11451 1 743 . 1 1 76 76 LEU CA C 13 54.599 0.001 . 1 . . . A 76 LEU CA . 11451 1 744 . 1 1 76 76 LEU CB C 13 41.088 0.066 . 1 . . . A 76 LEU CB . 11451 1 745 . 1 1 76 76 LEU CG C 13 26.021 0.071 . 1 . . . A 76 LEU CG . 11451 1 746 . 1 1 76 76 LEU CD1 C 13 25.434 0.1 . 2 . . . A 76 LEU CD1 . 11451 1 747 . 1 1 76 76 LEU N N 15 120.602 0.2 . 1 . . . A 76 LEU N . 11451 1 748 . 1 1 77 77 LYS H H 1 8.161 0.015 . 1 . . . A 77 LYS H . 11451 1 749 . 1 1 77 77 LYS HA H 1 4.450 0.001 . 1 . . . A 77 LYS HA . 11451 1 750 . 1 1 77 77 LYS HB3 H 1 1.868 0.006 . 2 . . . A 77 LYS HB3 . 11451 1 751 . 1 1 77 77 LYS HG3 H 1 1.431 0.008 . 2 . . . A 77 LYS HG3 . 11451 1 752 . 1 1 77 77 LYS CA C 13 55.001 0.1 . 1 . . . A 77 LYS CA . 11451 1 753 . 1 1 77 77 LYS CB C 13 34.700 0.001 . 1 . . . A 77 LYS CB . 11451 1 754 . 1 1 77 77 LYS CG C 13 24.846 0.005 . 1 . . . A 77 LYS CG . 11451 1 755 . 1 1 77 77 LYS N N 15 121.982 0.2 . 1 . . . A 77 LYS N . 11451 1 756 . 1 1 78 78 ASN H H 1 9.564 0.003 . 1 . . . A 78 ASN H . 11451 1 757 . 1 1 78 78 ASN HA H 1 4.667 0.02 . 1 . . . A 78 ASN HA . 11451 1 758 . 1 1 78 78 ASN HB2 H 1 2.502 0.001 . 2 . . . A 78 ASN HB2 . 11451 1 759 . 1 1 78 78 ASN HD21 H 1 7.107 0.004 . 2 . . . A 78 ASN HD21 . 11451 1 760 . 1 1 78 78 ASN HD22 H 1 6.197 0.003 . 2 . . . A 78 ASN HD22 . 11451 1 761 . 1 1 78 78 ASN CA C 13 54.314 0.1 . 1 . . . A 78 ASN CA . 11451 1 762 . 1 1 78 78 ASN CB C 13 37.130 0.1 . 1 . . . A 78 ASN CB . 11451 1 763 . 1 1 78 78 ASN N N 15 124.764 0.018 . 1 . . . A 78 ASN N . 11451 1 764 . 1 1 78 78 ASN ND2 N 15 108.659 0.110 . 1 . . . A 78 ASN ND2 . 11451 1 765 . 1 1 79 79 THR H H 1 8.190 0.004 . 1 . . . A 79 THR H . 11451 1 766 . 1 1 79 79 THR HA H 1 4.263 0.002 . 1 . . . A 79 THR HA . 11451 1 767 . 1 1 79 79 THR HB H 1 4.178 0.002 . 1 . . . A 79 THR HB . 11451 1 768 . 1 1 79 79 THR HG21 H 1 1.004 0.009 . 1 . . . A 79 THR HG21 . 11451 1 769 . 1 1 79 79 THR HG22 H 1 1.004 0.009 . 1 . . . A 79 THR HG21 . 11451 1 770 . 1 1 79 79 THR HG23 H 1 1.004 0.009 . 1 . . . A 79 THR HG21 . 11451 1 771 . 1 1 79 79 THR CA C 13 60.774 0.003 . 1 . . . A 79 THR CA . 11451 1 772 . 1 1 79 79 THR CB C 13 70.347 0.020 . 1 . . . A 79 THR CB . 11451 1 773 . 1 1 79 79 THR CG2 C 13 22.680 0.011 . 1 . . . A 79 THR CG2 . 11451 1 774 . 1 1 79 79 THR N N 15 114.955 0.056 . 1 . . . A 79 THR N . 11451 1 775 . 1 1 80 80 ARG H H 1 9.203 0.006 . 1 . . . A 80 ARG H . 11451 1 776 . 1 1 80 80 ARG HA H 1 3.203 0.005 . 1 . . . A 80 ARG HA . 11451 1 777 . 1 1 80 80 ARG HB3 H 1 1.587 0.02 . 2 . . . A 80 ARG HB3 . 11451 1 778 . 1 1 80 80 ARG CA C 13 58.487 0.144 . 1 . . . A 80 ARG CA . 11451 1 779 . 1 1 80 80 ARG CB C 13 28.909 0.1 . 1 . . . A 80 ARG CB . 11451 1 780 . 1 1 80 80 ARG N N 15 124.080 0.053 . 1 . . . A 80 ARG N . 11451 1 781 . 1 1 81 81 GLY H H 1 8.976 0.005 . 1 . . . A 81 GLY H . 11451 1 782 . 1 1 81 81 GLY HA2 H 1 3.443 0.003 . 2 . . . A 81 GLY HA2 . 11451 1 783 . 1 1 81 81 GLY CA C 13 45.071 0.002 . 1 . . . A 81 GLY CA . 11451 1 784 . 1 1 81 81 GLY N N 15 115.741 0.015 . 1 . . . A 81 GLY N . 11451 1 785 . 1 1 82 82 THR H H 1 8.070 0.004 . 1 . . . A 82 THR H . 11451 1 786 . 1 1 82 82 THR HA H 1 4.623 0.02 . 1 . . . A 82 THR HA . 11451 1 787 . 1 1 82 82 THR HB H 1 4.324 0.005 . 1 . . . A 82 THR HB . 11451 1 788 . 1 1 82 82 THR HG1 H 1 5.998 0.001 . 1 . . . A 82 THR HG1 . 11451 1 789 . 1 1 82 82 THR HG21 H 1 1.358 0.005 . 1 . . . A 82 THR HG21 . 11451 1 790 . 1 1 82 82 THR HG22 H 1 1.358 0.005 . 1 . . . A 82 THR HG21 . 11451 1 791 . 1 1 82 82 THR HG23 H 1 1.358 0.005 . 1 . . . A 82 THR HG21 . 11451 1 792 . 1 1 82 82 THR CA C 13 61.694 0.1 . 1 . . . A 82 THR CA . 11451 1 793 . 1 1 82 82 THR CB C 13 72.230 0.040 . 1 . . . A 82 THR CB . 11451 1 794 . 1 1 82 82 THR CG2 C 13 22.154 0.1 . 1 . . . A 82 THR CG2 . 11451 1 795 . 1 1 82 82 THR N N 15 110.362 0.030 . 1 . . . A 82 THR N . 11451 1 796 . 1 1 83 83 LEU H H 1 7.918 0.008 . 1 . . . A 83 LEU H . 11451 1 797 . 1 1 83 83 LEU HA H 1 5.219 0.011 . 1 . . . A 83 LEU HA . 11451 1 798 . 1 1 83 83 LEU HB3 H 1 0.690 0.005 . 2 . . . A 83 LEU HB3 . 11451 1 799 . 1 1 83 83 LEU HG H 1 1.379 0.005 . 1 . . . A 83 LEU HG . 11451 1 800 . 1 1 83 83 LEU HD11 H 1 0.307 0.006 . 2 . . . A 83 LEU HD11 . 11451 1 801 . 1 1 83 83 LEU HD12 H 1 0.307 0.006 . 2 . . . A 83 LEU HD11 . 11451 1 802 . 1 1 83 83 LEU HD13 H 1 0.307 0.006 . 2 . . . A 83 LEU HD11 . 11451 1 803 . 1 1 83 83 LEU CA C 13 54.350 0.001 . 1 . . . A 83 LEU CA . 11451 1 804 . 1 1 83 83 LEU CB C 13 43.519 0.001 . 1 . . . A 83 LEU CB . 11451 1 805 . 1 1 83 83 LEU CG C 13 30.487 0.003 . 1 . . . A 83 LEU CG . 11451 1 806 . 1 1 83 83 LEU CD1 C 13 24.244 0.001 . 2 . . . A 83 LEU CD1 . 11451 1 807 . 1 1 83 83 LEU N N 15 121.341 0.042 . 1 . . . A 83 LEU N . 11451 1 808 . 1 1 84 84 ALA H H 1 8.053 0.007 . 1 . . . A 84 ALA H . 11451 1 809 . 1 1 84 84 ALA HA H 1 5.517 0.004 . 1 . . . A 84 ALA HA . 11451 1 810 . 1 1 84 84 ALA HB1 H 1 0.559 0.005 . 1 . . . A 84 ALA HB1 . 11451 1 811 . 1 1 84 84 ALA HB2 H 1 0.559 0.005 . 1 . . . A 84 ALA HB1 . 11451 1 812 . 1 1 84 84 ALA HB3 H 1 0.559 0.005 . 1 . . . A 84 ALA HB1 . 11451 1 813 . 1 1 84 84 ALA CA C 13 49.069 0.001 . 1 . . . A 84 ALA CA . 11451 1 814 . 1 1 84 84 ALA CB C 13 23.985 0.002 . 1 . . . A 84 ALA CB . 11451 1 815 . 1 1 84 84 ALA N N 15 121.663 0.010 . 1 . . . A 84 ALA N . 11451 1 816 . 1 1 85 85 MET H H 1 7.539 0.006 . 1 . . . A 85 MET H . 11451 1 817 . 1 1 85 85 MET HA H 1 5.241 0.008 . 1 . . . A 85 MET HA . 11451 1 818 . 1 1 85 85 MET HB2 H 1 2.078 0.02 . 2 . . . A 85 MET HB2 . 11451 1 819 . 1 1 85 85 MET HG2 H 1 2.199 0.004 . 2 . . . A 85 MET HG2 . 11451 1 820 . 1 1 85 85 MET HE1 H 1 1.865 0.02 . 1 . . . A 85 MET HE1 . 11451 1 821 . 1 1 85 85 MET HE2 H 1 1.865 0.02 . 1 . . . A 85 MET HE2 . 11451 1 822 . 1 1 85 85 MET HE3 H 1 1.865 0.02 . 1 . . . A 85 MET HE3 . 11451 1 823 . 1 1 85 85 MET CA C 13 52.707 0.098 . 1 . . . A 85 MET CA . 11451 1 824 . 1 1 85 85 MET CB C 13 29.801 0.1 . 1 . . . A 85 MET CB . 11451 1 825 . 1 1 85 85 MET CG C 13 31.819 0.003 . 1 . . . A 85 MET CG . 11451 1 826 . 1 1 85 85 MET CE C 13 16.322 0.1 . 1 . . . A 85 MET CE . 11451 1 827 . 1 1 85 85 MET N N 15 115.338 0.030 . 1 . . . A 85 MET N . 11451 1 828 . 1 1 86 86 ALA H H 1 8.287 0.011 . 1 . . . A 86 ALA H . 11451 1 829 . 1 1 86 86 ALA HA H 1 4.683 0.006 . 1 . . . A 86 ALA HA . 11451 1 830 . 1 1 86 86 ALA HB1 H 1 1.273 0.005 . 1 . . . A 86 ALA HB1 . 11451 1 831 . 1 1 86 86 ALA HB2 H 1 1.273 0.005 . 1 . . . A 86 ALA HB1 . 11451 1 832 . 1 1 86 86 ALA HB3 H 1 1.273 0.005 . 1 . . . A 86 ALA HB1 . 11451 1 833 . 1 1 86 86 ALA CA C 13 51.207 0.1 . 1 . . . A 86 ALA CA . 11451 1 834 . 1 1 86 86 ALA CB C 13 19.416 0.007 . 1 . . . A 86 ALA CB . 11451 1 835 . 1 1 86 86 ALA N N 15 126.558 0.033 . 1 . . . A 86 ALA N . 11451 1 836 . 1 1 87 87 ARG H H 1 8.031 0.02 . 1 . . . A 87 ARG H . 11451 1 837 . 1 1 87 87 ARG HA H 1 4.634 0.02 . 1 . . . A 87 ARG HA . 11451 1 838 . 1 1 87 87 ARG HB3 H 1 1.896 0.02 . 2 . . . A 87 ARG HB3 . 11451 1 839 . 1 1 87 87 ARG HG3 H 1 1.492 0.005 . 2 . . . A 87 ARG HG3 . 11451 1 840 . 1 1 87 87 ARG CA C 13 55.768 0.1 . 1 . . . A 87 ARG CA . 11451 1 841 . 1 1 87 87 ARG CB C 13 29.722 0.1 . 1 . . . A 87 ARG CB . 11451 1 842 . 1 1 87 87 ARG CG C 13 25.977 0.005 . 1 . . . A 87 ARG CG . 11451 1 843 . 1 1 87 87 ARG N N 15 113.623 0.2 . 1 . . . A 87 ARG N . 11451 1 844 . 1 1 88 88 THR H H 1 7.892 0.003 . 1 . . . A 88 THR H . 11451 1 845 . 1 1 88 88 THR HA H 1 4.624 0.02 . 1 . . . A 88 THR HA . 11451 1 846 . 1 1 88 88 THR HB H 1 4.663 0.02 . 1 . . . A 88 THR HB . 11451 1 847 . 1 1 88 88 THR HG21 H 1 1.179 0.008 . 1 . . . A 88 THR HG21 . 11451 1 848 . 1 1 88 88 THR HG22 H 1 1.179 0.008 . 1 . . . A 88 THR HG21 . 11451 1 849 . 1 1 88 88 THR HG23 H 1 1.179 0.008 . 1 . . . A 88 THR HG21 . 11451 1 850 . 1 1 88 88 THR CA C 13 60.554 0.1 . 1 . . . A 88 THR CA . 11451 1 851 . 1 1 88 88 THR CB C 13 68.430 0.1 . 1 . . . A 88 THR CB . 11451 1 852 . 1 1 88 88 THR CG2 C 13 21.345 0.002 . 1 . . . A 88 THR CG2 . 11451 1 853 . 1 1 88 88 THR N N 15 111.627 0.037 . 1 . . . A 88 THR N . 11451 1 854 . 1 1 89 89 GLN H H 1 8.188 0.005 . 1 . . . A 89 GLN H . 11451 1 855 . 1 1 89 89 GLN HA H 1 3.851 0.010 . 1 . . . A 89 GLN HA . 11451 1 856 . 1 1 89 89 GLN HB2 H 1 1.991 0.005 . 2 . . . A 89 GLN HB2 . 11451 1 857 . 1 1 89 89 GLN HG2 H 1 2.319 0.004 . 2 . . . A 89 GLN HG2 . 11451 1 858 . 1 1 89 89 GLN CA C 13 58.911 0.002 . 1 . . . A 89 GLN CA . 11451 1 859 . 1 1 89 89 GLN CB C 13 28.370 0.001 . 1 . . . A 89 GLN CB . 11451 1 860 . 1 1 89 89 GLN CG C 13 33.749 0.052 . 1 . . . A 89 GLN CG . 11451 1 861 . 1 1 89 89 GLN N N 15 117.361 0.067 . 1 . . . A 89 GLN N . 11451 1 862 . 1 1 90 90 ALA H H 1 7.962 0.008 . 1 . . . A 90 ALA H . 11451 1 863 . 1 1 90 90 ALA HA H 1 4.345 0.005 . 1 . . . A 90 ALA HA . 11451 1 864 . 1 1 90 90 ALA HB1 H 1 1.162 0.005 . 1 . . . A 90 ALA HB1 . 11451 1 865 . 1 1 90 90 ALA HB2 H 1 1.162 0.005 . 1 . . . A 90 ALA HB1 . 11451 1 866 . 1 1 90 90 ALA HB3 H 1 1.162 0.005 . 1 . . . A 90 ALA HB1 . 11451 1 867 . 1 1 90 90 ALA CA C 13 49.726 0.110 . 1 . . . A 90 ALA CA . 11451 1 868 . 1 1 90 90 ALA CB C 13 17.174 0.1 . 1 . . . A 90 ALA CB . 11451 1 869 . 1 1 90 90 ALA N N 15 122.998 0.015 . 1 . . . A 90 ALA N . 11451 1 870 . 1 1 91 91 PRO HA H 1 3.468 0.011 . 1 . . . A 91 PRO HA . 11451 1 871 . 1 1 91 91 PRO HB3 H 1 -0.250 0.008 . 2 . . . A 91 PRO HB3 . 11451 1 872 . 1 1 91 91 PRO HG2 H 1 1.432 0.005 . 2 . . . A 91 PRO HG2 . 11451 1 873 . 1 1 91 91 PRO HD2 H 1 3.460 0.001 . 2 . . . A 91 PRO HD2 . 11451 1 874 . 1 1 91 91 PRO HD3 H 1 3.665 0.02 . 2 . . . A 91 PRO HD3 . 11451 1 875 . 1 1 91 91 PRO CA C 13 65.437 0.066 . 1 . . . A 91 PRO CA . 11451 1 876 . 1 1 91 91 PRO CB C 13 29.969 0.002 . 1 . . . A 91 PRO CB . 11451 1 877 . 1 1 91 91 PRO CG C 13 27.349 0.002 . 1 . . . A 91 PRO CG . 11451 1 878 . 1 1 91 91 PRO CD C 13 49.856 0.073 . 1 . . . A 91 PRO CD . 11451 1 879 . 1 1 92 92 HIS H H 1 7.977 0.006 . 1 . . . A 92 HIS H . 11451 1 880 . 1 1 92 92 HIS HA H 1 4.824 0.011 . 1 . . . A 92 HIS HA . 11451 1 881 . 1 1 92 92 HIS HB3 H 1 2.767 0.004 . 2 . . . A 92 HIS HB3 . 11451 1 882 . 1 1 92 92 HIS HD2 H 1 6.808 0.010 . 1 . . . A 92 HIS HD2 . 11451 1 883 . 1 1 92 92 HIS HE1 H 1 6.704 0.008 . 1 . . . A 92 HIS HE1 . 11451 1 884 . 1 1 92 92 HIS CA C 13 54.201 0.1 . 1 . . . A 92 HIS CA . 11451 1 885 . 1 1 92 92 HIS CB C 13 28.309 0.003 . 1 . . . A 92 HIS CB . 11451 1 886 . 1 1 92 92 HIS CD2 C 13 118.436 0.042 . 1 . . . A 92 HIS CD2 . 11451 1 887 . 1 1 92 92 HIS CE1 C 13 137.993 0.049 . 1 . . . A 92 HIS CE1 . 11451 1 888 . 1 1 92 92 HIS N N 15 118.470 0.054 . 1 . . . A 92 HIS N . 11451 1 889 . 1 1 93 93 SER H H 1 6.374 0.003 . 1 . . . A 93 SER H . 11451 1 890 . 1 1 93 93 SER HA H 1 4.380 0.002 . 1 . . . A 93 SER HA . 11451 1 891 . 1 1 93 93 SER HB3 H 1 3.329 0.003 . 2 . . . A 93 SER HB3 . 11451 1 892 . 1 1 93 93 SER HG H 1 6.016 0.002 . 1 . . . A 93 SER HG . 11451 1 893 . 1 1 93 93 SER CA C 13 57.696 0.003 . 1 . . . A 93 SER CA . 11451 1 894 . 1 1 93 93 SER CB C 13 65.924 0.063 . 1 . . . A 93 SER CB . 11451 1 895 . 1 1 93 93 SER N N 15 108.425 0.038 . 1 . . . A 93 SER N . 11451 1 896 . 1 1 94 94 ALA H H 1 8.543 0.011 . 1 . . . A 94 ALA H . 11451 1 897 . 1 1 94 94 ALA HA H 1 4.276 0.003 . 1 . . . A 94 ALA HA . 11451 1 898 . 1 1 94 94 ALA HB1 H 1 1.395 0.002 . 1 . . . A 94 ALA HB1 . 11451 1 899 . 1 1 94 94 ALA HB2 H 1 1.395 0.002 . 1 . . . A 94 ALA HB1 . 11451 1 900 . 1 1 94 94 ALA HB3 H 1 1.395 0.002 . 1 . . . A 94 ALA HB1 . 11451 1 901 . 1 1 94 94 ALA CA C 13 54.173 0.007 . 1 . . . A 94 ALA CA . 11451 1 902 . 1 1 94 94 ALA CB C 13 20.366 0.003 . 1 . . . A 94 ALA CB . 11451 1 903 . 1 1 94 94 ALA N N 15 130.109 0.030 . 1 . . . A 94 ALA N . 11451 1 904 . 1 1 95 95 THR H H 1 8.925 0.004 . 1 . . . A 95 THR H . 11451 1 905 . 1 1 95 95 THR HA H 1 4.722 0.014 . 1 . . . A 95 THR HA . 11451 1 906 . 1 1 95 95 THR HB H 1 3.959 0.001 . 1 . . . A 95 THR HB . 11451 1 907 . 1 1 95 95 THR HG21 H 1 0.963 0.002 . 1 . . . A 95 THR HG21 . 11451 1 908 . 1 1 95 95 THR HG22 H 1 0.963 0.002 . 1 . . . A 95 THR HG21 . 11451 1 909 . 1 1 95 95 THR HG23 H 1 0.963 0.002 . 1 . . . A 95 THR HG21 . 11451 1 910 . 1 1 95 95 THR CA C 13 59.725 0.1 . 1 . . . A 95 THR CA . 11451 1 911 . 1 1 95 95 THR CB C 13 70.157 0.002 . 1 . . . A 95 THR CB . 11451 1 912 . 1 1 95 95 THR CG2 C 13 21.575 0.003 . 1 . . . A 95 THR CG2 . 11451 1 913 . 1 1 95 95 THR N N 15 110.794 0.019 . 1 . . . A 95 THR N . 11451 1 914 . 1 1 96 96 ALA H H 1 7.954 0.007 . 1 . . . A 96 ALA H . 11451 1 915 . 1 1 96 96 ALA HA H 1 4.427 0.007 . 1 . . . A 96 ALA HA . 11451 1 916 . 1 1 96 96 ALA HB1 H 1 0.557 0.006 . 1 . . . A 96 ALA HB1 . 11451 1 917 . 1 1 96 96 ALA HB2 H 1 0.557 0.006 . 1 . . . A 96 ALA HB1 . 11451 1 918 . 1 1 96 96 ALA HB3 H 1 0.557 0.006 . 1 . . . A 96 ALA HB1 . 11451 1 919 . 1 1 96 96 ALA CA C 13 51.536 0.086 . 1 . . . A 96 ALA CA . 11451 1 920 . 1 1 96 96 ALA CB C 13 23.216 0.004 . 1 . . . A 96 ALA CB . 11451 1 921 . 1 1 96 96 ALA N N 15 121.615 0.019 . 1 . . . A 96 ALA N . 11451 1 922 . 1 1 97 97 GLN H H 1 7.866 0.002 . 1 . . . A 97 GLN H . 11451 1 923 . 1 1 97 97 GLN HA H 1 4.629 0.02 . 1 . . . A 97 GLN HA . 11451 1 924 . 1 1 97 97 GLN HB2 H 1 2.011 0.003 . 2 . . . A 97 GLN HB2 . 11451 1 925 . 1 1 97 97 GLN CA C 13 57.388 0.1 . 1 . . . A 97 GLN CA . 11451 1 926 . 1 1 97 97 GLN CB C 13 30.757 0.003 . 1 . . . A 97 GLN CB . 11451 1 927 . 1 1 97 97 GLN N N 15 115.548 0.060 . 1 . . . A 97 GLN N . 11451 1 928 . 1 1 98 98 PHE H H 1 7.623 0.005 . 1 . . . A 98 PHE H . 11451 1 929 . 1 1 98 98 PHE HA H 1 5.788 0.010 . 1 . . . A 98 PHE HA . 11451 1 930 . 1 1 98 98 PHE HB3 H 1 3.106 0.008 . 2 . . . A 98 PHE HB3 . 11451 1 931 . 1 1 98 98 PHE HD1 H 1 7.101 0.001 . 3 . . . A 98 PHE HD1 . 11451 1 932 . 1 1 98 98 PHE HD2 H 1 7.101 0.001 . 3 . . . A 98 PHE HD2 . 11451 1 933 . 1 1 98 98 PHE HE1 H 1 6.517 0.02 . 3 . . . A 98 PHE HE1 . 11451 1 934 . 1 1 98 98 PHE HE2 H 1 6.517 0.02 . 3 . . . A 98 PHE HE2 . 11451 1 935 . 1 1 98 98 PHE HZ H 1 6.254 0.02 . 1 . . . A 98 PHE HZ . 11451 1 936 . 1 1 98 98 PHE CA C 13 54.655 0.004 . 1 . . . A 98 PHE CA . 11451 1 937 . 1 1 98 98 PHE CB C 13 43.225 0.003 . 1 . . . A 98 PHE CB . 11451 1 938 . 1 1 98 98 PHE CD1 C 13 132.003 0.060 . 3 . . . A 98 PHE CD1 . 11451 1 939 . 1 1 98 98 PHE CE1 C 13 129.321 0.031 . 3 . . . A 98 PHE CE1 . 11451 1 940 . 1 1 98 98 PHE CZ C 13 129.636 0.1 . 1 . . . A 98 PHE CZ . 11451 1 941 . 1 1 98 98 PHE N N 15 117.593 0.021 . 1 . . . A 98 PHE N . 11451 1 942 . 1 1 99 99 PHE H H 1 9.518 0.007 . 1 . . . A 99 PHE H . 11451 1 943 . 1 1 99 99 PHE HA H 1 5.732 0.005 . 1 . . . A 99 PHE HA . 11451 1 944 . 1 1 99 99 PHE HB3 H 1 2.493 0.008 . 2 . . . A 99 PHE HB3 . 11451 1 945 . 1 1 99 99 PHE HD1 H 1 6.485 0.02 . 3 . . . A 99 PHE HD1 . 11451 1 946 . 1 1 99 99 PHE HD2 H 1 6.485 0.02 . 3 . . . A 99 PHE HD2 . 11451 1 947 . 1 1 99 99 PHE HE1 H 1 7.140 0.005 . 3 . . . A 99 PHE HE1 . 11451 1 948 . 1 1 99 99 PHE HE2 H 1 7.140 0.005 . 3 . . . A 99 PHE HE2 . 11451 1 949 . 1 1 99 99 PHE HZ H 1 6.683 0.02 . 1 . . . A 99 PHE HZ . 11451 1 950 . 1 1 99 99 PHE CA C 13 55.049 0.002 . 1 . . . A 99 PHE CA . 11451 1 951 . 1 1 99 99 PHE CB C 13 44.020 0.001 . 1 . . . A 99 PHE CB . 11451 1 952 . 1 1 99 99 PHE CD1 C 13 132.065 0.050 . 3 . . . A 99 PHE CD1 . 11451 1 953 . 1 1 99 99 PHE CE1 C 13 131.264 0.019 . 3 . . . A 99 PHE CE1 . 11451 1 954 . 1 1 99 99 PHE CZ C 13 130.365 0.1 . 1 . . . A 99 PHE CZ . 11451 1 955 . 1 1 99 99 PHE N N 15 116.226 0.014 . 1 . . . A 99 PHE N . 11451 1 956 . 1 1 100 100 ILE H H 1 9.136 0.009 . 1 . . . A 100 ILE H . 11451 1 957 . 1 1 100 100 ILE HA H 1 4.827 0.007 . 1 . . . A 100 ILE HA . 11451 1 958 . 1 1 100 100 ILE HB H 1 1.580 0.002 . 1 . . . A 100 ILE HB . 11451 1 959 . 1 1 100 100 ILE HG12 H 1 0.826 0.008 . 2 . . . A 100 ILE HG12 . 11451 1 960 . 1 1 100 100 ILE HG21 H 1 0.553 0.02 . 1 . . . A 100 ILE HG21 . 11451 1 961 . 1 1 100 100 ILE HG22 H 1 0.553 0.02 . 1 . . . A 100 ILE HG21 . 11451 1 962 . 1 1 100 100 ILE HG23 H 1 0.553 0.02 . 1 . . . A 100 ILE HG21 . 11451 1 963 . 1 1 100 100 ILE HD11 H 1 0.723 0.008 . 1 . . . A 100 ILE HD11 . 11451 1 964 . 1 1 100 100 ILE HD12 H 1 0.723 0.008 . 1 . . . A 100 ILE HD11 . 11451 1 965 . 1 1 100 100 ILE HD13 H 1 0.723 0.008 . 1 . . . A 100 ILE HD11 . 11451 1 966 . 1 1 100 100 ILE CA C 13 59.349 0.1 . 1 . . . A 100 ILE CA . 11451 1 967 . 1 1 100 100 ILE CB C 13 39.669 0.002 . 1 . . . A 100 ILE CB . 11451 1 968 . 1 1 100 100 ILE CG1 C 13 26.884 0.005 . 1 . . . A 100 ILE CG1 . 11451 1 969 . 1 1 100 100 ILE CG2 C 13 15.853 0.008 . 1 . . . A 100 ILE CG2 . 11451 1 970 . 1 1 100 100 ILE CD1 C 13 12.907 0.004 . 1 . . . A 100 ILE CD1 . 11451 1 971 . 1 1 100 100 ILE N N 15 117.687 0.036 . 1 . . . A 100 ILE N . 11451 1 972 . 1 1 101 101 ASN H H 1 8.877 0.004 . 1 . . . A 101 ASN H . 11451 1 973 . 1 1 101 101 ASN HA H 1 4.459 0.013 . 1 . . . A 101 ASN HA . 11451 1 974 . 1 1 101 101 ASN HB2 H 1 2.636 0.008 . 2 . . . A 101 ASN HB2 . 11451 1 975 . 1 1 101 101 ASN HD21 H 1 8.022 0.010 . 2 . . . A 101 ASN HD21 . 11451 1 976 . 1 1 101 101 ASN HD22 H 1 7.289 0.009 . 2 . . . A 101 ASN HD22 . 11451 1 977 . 1 1 101 101 ASN CA C 13 55.733 0.1 . 1 . . . A 101 ASN CA . 11451 1 978 . 1 1 101 101 ASN CB C 13 39.926 0.039 . 1 . . . A 101 ASN CB . 11451 1 979 . 1 1 101 101 ASN N N 15 126.524 0.025 . 1 . . . A 101 ASN N . 11451 1 980 . 1 1 101 101 ASN ND2 N 15 118.361 0.055 . 1 . . . A 101 ASN ND2 . 11451 1 981 . 1 1 102 102 VAL H H 1 7.700 0.003 . 1 . . . A 102 VAL H . 11451 1 982 . 1 1 102 102 VAL HA H 1 4.411 0.002 . 1 . . . A 102 VAL HA . 11451 1 983 . 1 1 102 102 VAL HB H 1 2.132 0.006 . 1 . . . A 102 VAL HB . 11451 1 984 . 1 1 102 102 VAL HG21 H 1 0.645 0.007 . 2 . . . A 102 VAL HG21 . 11451 1 985 . 1 1 102 102 VAL HG22 H 1 0.645 0.007 . 2 . . . A 102 VAL HG21 . 11451 1 986 . 1 1 102 102 VAL HG23 H 1 0.645 0.007 . 2 . . . A 102 VAL HG21 . 11451 1 987 . 1 1 102 102 VAL CA C 13 61.907 0.1 . 1 . . . A 102 VAL CA . 11451 1 988 . 1 1 102 102 VAL CB C 13 30.370 0.1 . 1 . . . A 102 VAL CB . 11451 1 989 . 1 1 102 102 VAL CG2 C 13 18.421 0.006 . 2 . . . A 102 VAL CG2 . 11451 1 990 . 1 1 102 102 VAL N N 15 117.660 0.041 . 1 . . . A 102 VAL N . 11451 1 991 . 1 1 103 103 VAL H H 1 7.753 0.006 . 1 . . . A 103 VAL H . 11451 1 992 . 1 1 103 103 VAL HA H 1 4.353 0.002 . 1 . . . A 103 VAL HA . 11451 1 993 . 1 1 103 103 VAL HB H 1 2.136 0.001 . 1 . . . A 103 VAL HB . 11451 1 994 . 1 1 103 103 VAL HG21 H 1 0.630 0.002 . 2 . . . A 103 VAL HG21 . 11451 1 995 . 1 1 103 103 VAL HG22 H 1 0.630 0.002 . 2 . . . A 103 VAL HG21 . 11451 1 996 . 1 1 103 103 VAL HG23 H 1 0.630 0.002 . 2 . . . A 103 VAL HG21 . 11451 1 997 . 1 1 103 103 VAL CA C 13 59.659 0.143 . 1 . . . A 103 VAL CA . 11451 1 998 . 1 1 103 103 VAL CB C 13 35.510 0.1 . 1 . . . A 103 VAL CB . 11451 1 999 . 1 1 103 103 VAL CG2 C 13 17.857 0.003 . 2 . . . A 103 VAL CG2 . 11451 1 1000 . 1 1 103 103 VAL N N 15 116.637 0.023 . 1 . . . A 103 VAL N . 11451 1 1001 . 1 1 104 104 ASP H H 1 8.171 0.005 . 1 . . . A 104 ASP H . 11451 1 1002 . 1 1 104 104 ASP HA H 1 4.255 0.003 . 1 . . . A 104 ASP HA . 11451 1 1003 . 1 1 104 104 ASP HB2 H 1 2.678 0.003 . 2 . . . A 104 ASP HB2 . 11451 1 1004 . 1 1 104 104 ASP CA C 13 55.500 0.1 . 1 . . . A 104 ASP CA . 11451 1 1005 . 1 1 104 104 ASP CB C 13 39.088 0.004 . 1 . . . A 104 ASP CB . 11451 1 1006 . 1 1 104 104 ASP N N 15 118.510 0.033 . 1 . . . A 104 ASP N . 11451 1 1007 . 1 1 105 105 ASN H H 1 8.352 0.008 . 1 . . . A 105 ASN H . 11451 1 1008 . 1 1 105 105 ASN HA H 1 5.079 0.028 . 1 . . . A 105 ASN HA . 11451 1 1009 . 1 1 105 105 ASN HB2 H 1 2.412 0.013 . 2 . . . A 105 ASN HB2 . 11451 1 1010 . 1 1 105 105 ASN HD21 H 1 9.381 0.005 . 2 . . . A 105 ASN HD21 . 11451 1 1011 . 1 1 105 105 ASN HD22 H 1 6.963 0.009 . 2 . . . A 105 ASN HD22 . 11451 1 1012 . 1 1 105 105 ASN CA C 13 51.529 0.001 . 1 . . . A 105 ASN CA . 11451 1 1013 . 1 1 105 105 ASN CB C 13 39.135 0.1 . 1 . . . A 105 ASN CB . 11451 1 1014 . 1 1 105 105 ASN N N 15 128.132 0.053 . 1 . . . A 105 ASN N . 11451 1 1015 . 1 1 105 105 ASN ND2 N 15 117.122 0.066 . 1 . . . A 105 ASN ND2 . 11451 1 1016 . 1 1 106 106 ASP H H 1 8.203 0.007 . 1 . . . A 106 ASP H . 11451 1 1017 . 1 1 106 106 ASP HA H 1 4.271 0.002 . 1 . . . A 106 ASP HA . 11451 1 1018 . 1 1 106 106 ASP HB2 H 1 2.565 0.007 . 2 . . . A 106 ASP HB2 . 11451 1 1019 . 1 1 106 106 ASP CA C 13 56.787 0.1 . 1 . . . A 106 ASP CA . 11451 1 1020 . 1 1 106 106 ASP CB C 13 39.805 0.017 . 1 . . . A 106 ASP CB . 11451 1 1021 . 1 1 106 106 ASP N N 15 121.636 0.023 . 1 . . . A 106 ASP N . 11451 1 1022 . 1 1 107 107 PHE H H 1 7.388 0.007 . 1 . . . A 107 PHE H . 11451 1 1023 . 1 1 107 107 PHE HA H 1 4.498 0.002 . 1 . . . A 107 PHE HA . 11451 1 1024 . 1 1 107 107 PHE HB3 H 1 2.987 0.010 . 2 . . . A 107 PHE HB3 . 11451 1 1025 . 1 1 107 107 PHE HD1 H 1 7.146 0.001 . 3 . . . A 107 PHE HD1 . 11451 1 1026 . 1 1 107 107 PHE HD2 H 1 7.146 0.001 . 3 . . . A 107 PHE HD2 . 11451 1 1027 . 1 1 107 107 PHE HE1 H 1 7.204 0.005 . 3 . . . A 107 PHE HE1 . 11451 1 1028 . 1 1 107 107 PHE HE2 H 1 7.204 0.005 . 3 . . . A 107 PHE HE2 . 11451 1 1029 . 1 1 107 107 PHE HZ H 1 6.743 0.02 . 1 . . . A 107 PHE HZ . 11451 1 1030 . 1 1 107 107 PHE CA C 13 57.395 0.190 . 1 . . . A 107 PHE CA . 11451 1 1031 . 1 1 107 107 PHE CB C 13 36.780 0.1 . 1 . . . A 107 PHE CB . 11451 1 1032 . 1 1 107 107 PHE CD1 C 13 131.483 0.047 . 3 . . . A 107 PHE CD1 . 11451 1 1033 . 1 1 107 107 PHE CE1 C 13 131.714 0.035 . 3 . . . A 107 PHE CE1 . 11451 1 1034 . 1 1 107 107 PHE CZ C 13 130.513 0.1 . 1 . . . A 107 PHE CZ . 11451 1 1035 . 1 1 107 107 PHE N N 15 114.525 0.051 . 1 . . . A 107 PHE N . 11451 1 1036 . 1 1 108 108 LEU H H 1 7.163 0.007 . 1 . . . A 108 LEU H . 11451 1 1037 . 1 1 108 108 LEU HA H 1 4.466 0.003 . 1 . . . A 108 LEU HA . 11451 1 1038 . 1 1 108 108 LEU HB3 H 1 1.659 0.007 . 2 . . . A 108 LEU HB3 . 11451 1 1039 . 1 1 108 108 LEU HG H 1 0.543 0.059 . 1 . . . A 108 LEU HG . 11451 1 1040 . 1 1 108 108 LEU HD11 H 1 0.641 0.083 . 2 . . . A 108 LEU HD11 . 11451 1 1041 . 1 1 108 108 LEU HD12 H 1 0.641 0.083 . 2 . . . A 108 LEU HD11 . 11451 1 1042 . 1 1 108 108 LEU HD13 H 1 0.641 0.083 . 2 . . . A 108 LEU HD11 . 11451 1 1043 . 1 1 108 108 LEU CA C 13 54.478 0.1 . 1 . . . A 108 LEU CA . 11451 1 1044 . 1 1 108 108 LEU CB C 13 42.099 0.002 . 1 . . . A 108 LEU CB . 11451 1 1045 . 1 1 108 108 LEU CG C 13 25.477 0.004 . 1 . . . A 108 LEU CG . 11451 1 1046 . 1 1 108 108 LEU CD1 C 13 26.729 0.002 . 2 . . . A 108 LEU CD1 . 11451 1 1047 . 1 1 108 108 LEU N N 15 121.576 0.024 . 1 . . . A 108 LEU N . 11451 1 1048 . 1 1 109 109 ASN H H 1 7.312 0.004 . 1 . . . A 109 ASN H . 11451 1 1049 . 1 1 109 109 ASN HA H 1 5.149 0.011 . 1 . . . A 109 ASN HA . 11451 1 1050 . 1 1 109 109 ASN HB2 H 1 2.895 0.004 . 2 . . . A 109 ASN HB2 . 11451 1 1051 . 1 1 109 109 ASN HD21 H 1 7.971 0.003 . 2 . . . A 109 ASN HD21 . 11451 1 1052 . 1 1 109 109 ASN HD22 H 1 7.667 0.004 . 2 . . . A 109 ASN HD22 . 11451 1 1053 . 1 1 109 109 ASN CA C 13 52.970 0.087 . 1 . . . A 109 ASN CA . 11451 1 1054 . 1 1 109 109 ASN CB C 13 38.119 0.003 . 1 . . . A 109 ASN CB . 11451 1 1055 . 1 1 109 109 ASN N N 15 116.121 0.038 . 1 . . . A 109 ASN N . 11451 1 1056 . 1 1 109 109 ASN ND2 N 15 115.209 0.059 . 1 . . . A 109 ASN ND2 . 11451 1 1057 . 1 1 110 110 PHE H H 1 8.825 0.005 . 1 . . . A 110 PHE H . 11451 1 1058 . 1 1 110 110 PHE HA H 1 4.252 0.002 . 1 . . . A 110 PHE HA . 11451 1 1059 . 1 1 110 110 PHE HB3 H 1 2.573 0.006 . 2 . . . A 110 PHE HB3 . 11451 1 1060 . 1 1 110 110 PHE HD1 H 1 7.368 0.004 . 3 . . . A 110 PHE HD1 . 11451 1 1061 . 1 1 110 110 PHE HD2 H 1 7.368 0.004 . 3 . . . A 110 PHE HD2 . 11451 1 1062 . 1 1 110 110 PHE HZ H 1 6.761 0.02 . 1 . . . A 110 PHE HZ . 11451 1 1063 . 1 1 110 110 PHE CA C 13 59.055 0.005 . 1 . . . A 110 PHE CA . 11451 1 1064 . 1 1 110 110 PHE CB C 13 39.793 0.007 . 1 . . . A 110 PHE CB . 11451 1 1065 . 1 1 110 110 PHE CD1 C 13 132.475 0.069 . 3 . . . A 110 PHE CD1 . 11451 1 1066 . 1 1 110 110 PHE CZ C 13 128.294 0.1 . 1 . . . A 110 PHE CZ . 11451 1 1067 . 1 1 110 110 PHE N N 15 124.182 0.024 . 1 . . . A 110 PHE N . 11451 1 1068 . 1 1 111 111 SER H H 1 9.456 0.003 . 1 . . . A 111 SER H . 11451 1 1069 . 1 1 111 111 SER HA H 1 4.179 0.002 . 1 . . . A 111 SER HA . 11451 1 1070 . 1 1 111 111 SER HB3 H 1 3.507 0.005 . 2 . . . A 111 SER HB3 . 11451 1 1071 . 1 1 111 111 SER CA C 13 57.521 0.007 . 1 . . . A 111 SER CA . 11451 1 1072 . 1 1 111 111 SER CB C 13 64.617 0.053 . 1 . . . A 111 SER CB . 11451 1 1073 . 1 1 111 111 SER N N 15 122.136 0.020 . 1 . . . A 111 SER N . 11451 1 1074 . 1 1 112 112 GLY H H 1 5.514 0.004 . 1 . . . A 112 GLY H . 11451 1 1075 . 1 1 112 112 GLY HA2 H 1 3.014 0.004 . 2 . . . A 112 GLY HA2 . 11451 1 1076 . 1 1 112 112 GLY CA C 13 45.378 0.003 . 1 . . . A 112 GLY CA . 11451 1 1077 . 1 1 112 112 GLY N N 15 110.435 0.028 . 1 . . . A 112 GLY N . 11451 1 1078 . 1 1 113 113 GLU H H 1 7.862 0.004 . 1 . . . A 113 GLU H . 11451 1 1079 . 1 1 113 113 GLU HA H 1 2.647 0.009 . 1 . . . A 113 GLU HA . 11451 1 1080 . 1 1 113 113 GLU HB2 H 1 1.630 0.010 . 2 . . . A 113 GLU HB2 . 11451 1 1081 . 1 1 113 113 GLU HG2 H 1 1.347 0.005 . 2 . . . A 113 GLU HG2 . 11451 1 1082 . 1 1 113 113 GLU CA C 13 54.970 0.1 . 1 . . . A 113 GLU CA . 11451 1 1083 . 1 1 113 113 GLU CB C 13 26.663 0.010 . 1 . . . A 113 GLU CB . 11451 1 1084 . 1 1 113 113 GLU CG C 13 35.749 0.002 . 1 . . . A 113 GLU CG . 11451 1 1085 . 1 1 113 113 GLU N N 15 118.926 0.051 . 1 . . . A 113 GLU N . 11451 1 1086 . 1 1 114 114 SER H H 1 7.621 0.008 . 1 . . . A 114 SER H . 11451 1 1087 . 1 1 114 114 SER HA H 1 4.625 0.02 . 1 . . . A 114 SER HA . 11451 1 1088 . 1 1 114 114 SER CA C 13 56.279 0.1 . 1 . . . A 114 SER CA . 11451 1 1089 . 1 1 114 114 SER N N 15 119.323 0.034 . 1 . . . A 114 SER N . 11451 1 1090 . 1 1 115 115 LEU H H 1 8.745 0.02 . 1 . . . A 115 LEU H . 11451 1 1091 . 1 1 115 115 LEU HA H 1 4.117 0.004 . 1 . . . A 115 LEU HA . 11451 1 1092 . 1 1 115 115 LEU HB3 H 1 1.567 0.001 . 2 . . . A 115 LEU HB3 . 11451 1 1093 . 1 1 115 115 LEU HG H 1 1.665 0.002 . 1 . . . A 115 LEU HG . 11451 1 1094 . 1 1 115 115 LEU HD11 H 1 0.871 0.007 . 2 . . . A 115 LEU HD11 . 11451 1 1095 . 1 1 115 115 LEU HD12 H 1 0.871 0.007 . 2 . . . A 115 LEU HD11 . 11451 1 1096 . 1 1 115 115 LEU HD13 H 1 0.871 0.007 . 2 . . . A 115 LEU HD11 . 11451 1 1097 . 1 1 115 115 LEU CA C 13 58.960 0.1 . 1 . . . A 115 LEU CA . 11451 1 1098 . 1 1 115 115 LEU CB C 13 41.125 0.004 . 1 . . . A 115 LEU CB . 11451 1 1099 . 1 1 115 115 LEU CG C 13 26.730 0.001 . 1 . . . A 115 LEU CG . 11451 1 1100 . 1 1 115 115 LEU CD1 C 13 24.142 0.002 . 2 . . . A 115 LEU CD1 . 11451 1 1101 . 1 1 115 115 LEU N N 15 122.373 0.2 . 1 . . . A 115 LEU N . 11451 1 1102 . 1 1 116 116 GLN H H 1 8.292 0.002 . 1 . . . A 116 GLN H . 11451 1 1103 . 1 1 116 116 GLN HA H 1 4.262 0.006 . 1 . . . A 116 GLN HA . 11451 1 1104 . 1 1 116 116 GLN HB2 H 1 1.878 0.003 . 2 . . . A 116 GLN HB2 . 11451 1 1105 . 1 1 116 116 GLN HG2 H 1 2.322 0.005 . 2 . . . A 116 GLN HG2 . 11451 1 1106 . 1 1 116 116 GLN CA C 13 57.127 0.004 . 1 . . . A 116 GLN CA . 11451 1 1107 . 1 1 116 116 GLN CB C 13 28.197 0.1 . 1 . . . A 116 GLN CB . 11451 1 1108 . 1 1 116 116 GLN CG C 13 33.722 0.052 . 1 . . . A 116 GLN CG . 11451 1 1109 . 1 1 116 116 GLN N N 15 114.490 0.051 . 1 . . . A 116 GLN N . 11451 1 1110 . 1 1 117 117 GLY H H 1 7.832 0.004 . 1 . . . A 117 GLY H . 11451 1 1111 . 1 1 117 117 GLY HA2 H 1 4.032 0.003 . 2 . . . A 117 GLY HA2 . 11451 1 1112 . 1 1 117 117 GLY CA C 13 45.541 0.001 . 1 . . . A 117 GLY CA . 11451 1 1113 . 1 1 117 117 GLY N N 15 109.729 0.068 . 1 . . . A 117 GLY N . 11451 1 1114 . 1 1 118 118 TRP H H 1 7.801 0.009 . 1 . . . A 118 TRP H . 11451 1 1115 . 1 1 118 118 TRP HA H 1 4.314 0.006 . 1 . . . A 118 TRP HA . 11451 1 1116 . 1 1 118 118 TRP HB2 H 1 2.995 0.02 . 2 . . . A 118 TRP HB2 . 11451 1 1117 . 1 1 118 118 TRP HD1 H 1 6.942 0.011 . 1 . . . A 118 TRP HD1 . 11451 1 1118 . 1 1 118 118 TRP HE1 H 1 9.891 0.004 . 1 . . . A 118 TRP HE1 . 11451 1 1119 . 1 1 118 118 TRP HE3 H 1 7.864 0.002 . 1 . . . A 118 TRP HE3 . 11451 1 1120 . 1 1 118 118 TRP HH2 H 1 7.234 0.006 . 1 . . . A 118 TRP HH2 . 11451 1 1121 . 1 1 118 118 TRP CA C 13 62.294 0.072 . 1 . . . A 118 TRP CA . 11451 1 1122 . 1 1 118 118 TRP CB C 13 30.167 0.1 . 1 . . . A 118 TRP CB . 11451 1 1123 . 1 1 118 118 TRP CD1 C 13 126.798 0.077 . 1 . . . A 118 TRP CD1 . 11451 1 1124 . 1 1 118 118 TRP CE3 C 13 121.210 0.065 . 1 . . . A 118 TRP CE3 . 11451 1 1125 . 1 1 118 118 TRP CH2 C 13 124.463 0.092 . 1 . . . A 118 TRP CH2 . 11451 1 1126 . 1 1 118 118 TRP N N 15 123.807 0.059 . 1 . . . A 118 TRP N . 11451 1 1127 . 1 1 118 118 TRP NE1 N 15 126.181 0.010 . 1 . . . A 118 TRP NE1 . 11451 1 1128 . 1 1 119 119 GLY H H 1 7.438 0.006 . 1 . . . A 119 GLY H . 11451 1 1129 . 1 1 119 119 GLY HA2 H 1 3.502 0.001 . 2 . . . A 119 GLY HA2 . 11451 1 1130 . 1 1 119 119 GLY CA C 13 45.319 0.003 . 1 . . . A 119 GLY CA . 11451 1 1131 . 1 1 119 119 GLY N N 15 124.815 0.027 . 1 . . . A 119 GLY N . 11451 1 1132 . 1 1 120 120 TYR H H 1 8.281 0.008 . 1 . . . A 120 TYR H . 11451 1 1133 . 1 1 120 120 TYR HA H 1 5.202 0.011 . 1 . . . A 120 TYR HA . 11451 1 1134 . 1 1 120 120 TYR HB3 H 1 3.029 0.006 . 2 . . . A 120 TYR HB3 . 11451 1 1135 . 1 1 120 120 TYR HD1 H 1 7.713 0.02 . 3 . . . A 120 TYR HD1 . 11451 1 1136 . 1 1 120 120 TYR HD2 H 1 7.713 0.02 . 3 . . . A 120 TYR HD2 . 11451 1 1137 . 1 1 120 120 TYR HE1 H 1 6.828 0.008 . 3 . . . A 120 TYR HE1 . 11451 1 1138 . 1 1 120 120 TYR HE2 H 1 6.828 0.008 . 3 . . . A 120 TYR HE2 . 11451 1 1139 . 1 1 120 120 TYR CA C 13 57.319 0.003 . 1 . . . A 120 TYR CA . 11451 1 1140 . 1 1 120 120 TYR CB C 13 39.739 0.001 . 1 . . . A 120 TYR CB . 11451 1 1141 . 1 1 120 120 TYR CD2 C 13 133.826 0.035 . 3 . . . A 120 TYR CD2 . 11451 1 1142 . 1 1 120 120 TYR CE2 C 13 117.777 0.086 . 3 . . . A 120 TYR CE2 . 11451 1 1143 . 1 1 120 120 TYR N N 15 119.720 0.048 . 1 . . . A 120 TYR N . 11451 1 1144 . 1 1 121 121 CYS H H 1 9.818 0.007 . 1 . . . A 121 CYS H . 11451 1 1145 . 1 1 121 121 CYS HA H 1 4.239 0.004 . 1 . . . A 121 CYS HA . 11451 1 1146 . 1 1 121 121 CYS HB2 H 1 3.071 0.005 . 2 . . . A 121 CYS HB2 . 11451 1 1147 . 1 1 121 121 CYS CA C 13 59.697 0.058 . 1 . . . A 121 CYS CA . 11451 1 1148 . 1 1 121 121 CYS CB C 13 28.010 0.1 . 1 . . . A 121 CYS CB . 11451 1 1149 . 1 1 121 121 CYS N N 15 126.117 0.035 . 1 . . . A 121 CYS N . 11451 1 1150 . 1 1 122 122 VAL H H 1 9.382 0.007 . 1 . . . A 122 VAL H . 11451 1 1151 . 1 1 122 122 VAL HA H 1 4.563 0.001 . 1 . . . A 122 VAL HA . 11451 1 1152 . 1 1 122 122 VAL HB H 1 1.838 0.005 . 1 . . . A 122 VAL HB . 11451 1 1153 . 1 1 122 122 VAL HG21 H 1 0.728 0.011 . 2 . . . A 122 VAL HG21 . 11451 1 1154 . 1 1 122 122 VAL HG22 H 1 0.728 0.011 . 2 . . . A 122 VAL HG21 . 11451 1 1155 . 1 1 122 122 VAL HG23 H 1 0.728 0.011 . 2 . . . A 122 VAL HG21 . 11451 1 1156 . 1 1 122 122 VAL CA C 13 62.650 0.1 . 1 . . . A 122 VAL CA . 11451 1 1157 . 1 1 122 122 VAL CB C 13 31.479 0.002 . 1 . . . A 122 VAL CB . 11451 1 1158 . 1 1 122 122 VAL CG2 C 13 20.584 0.1 . 2 . . . A 122 VAL CG2 . 11451 1 1159 . 1 1 122 122 VAL N N 15 106.168 0.027 . 1 . . . A 122 VAL N . 11451 1 1160 . 1 1 123 123 PHE H H 1 7.842 0.011 . 1 . . . A 123 PHE H . 11451 1 1161 . 1 1 123 123 PHE HA H 1 4.861 0.002 . 1 . . . A 123 PHE HA . 11451 1 1162 . 1 1 123 123 PHE HB3 H 1 2.344 0.002 . 2 . . . A 123 PHE HB3 . 11451 1 1163 . 1 1 123 123 PHE HZ H 1 6.006 0.02 . 1 . . . A 123 PHE HZ . 11451 1 1164 . 1 1 123 123 PHE CA C 13 54.939 0.008 . 1 . . . A 123 PHE CA . 11451 1 1165 . 1 1 123 123 PHE CB C 13 41.640 0.1 . 1 . . . A 123 PHE CB . 11451 1 1166 . 1 1 123 123 PHE CZ C 13 129.866 0.1 . 1 . . . A 123 PHE CZ . 11451 1 1167 . 1 1 123 123 PHE N N 15 118.398 0.034 . 1 . . . A 123 PHE N . 11451 1 1168 . 1 1 124 124 ALA H H 1 7.327 0.005 . 1 . . . A 124 ALA H . 11451 1 1169 . 1 1 124 124 ALA HA H 1 3.650 0.008 . 1 . . . A 124 ALA HA . 11451 1 1170 . 1 1 124 124 ALA HB1 H 1 0.403 0.005 . 1 . . . A 124 ALA HB1 . 11451 1 1171 . 1 1 124 124 ALA HB2 H 1 0.403 0.005 . 1 . . . A 124 ALA HB1 . 11451 1 1172 . 1 1 124 124 ALA HB3 H 1 0.403 0.005 . 1 . . . A 124 ALA HB1 . 11451 1 1173 . 1 1 124 124 ALA CA C 13 50.759 0.152 . 1 . . . A 124 ALA CA . 11451 1 1174 . 1 1 124 124 ALA CB C 13 22.635 0.003 . 1 . . . A 124 ALA CB . 11451 1 1175 . 1 1 124 124 ALA N N 15 124.412 0.031 . 1 . . . A 124 ALA N . 11451 1 1176 . 1 1 125 125 GLU H H 1 8.223 0.006 . 1 . . . A 125 GLU H . 11451 1 1177 . 1 1 125 125 GLU HA H 1 4.771 0.002 . 1 . . . A 125 GLU HA . 11451 1 1178 . 1 1 125 125 GLU HB2 H 1 1.834 0.002 . 2 . . . A 125 GLU HB2 . 11451 1 1179 . 1 1 125 125 GLU HG2 H 1 1.905 0.012 . 2 . . . A 125 GLU HG2 . 11451 1 1180 . 1 1 125 125 GLU CA C 13 54.651 0.1 . 1 . . . A 125 GLU CA . 11451 1 1181 . 1 1 125 125 GLU CB C 13 32.770 0.1 . 1 . . . A 125 GLU CB . 11451 1 1182 . 1 1 125 125 GLU CG C 13 34.441 0.001 . 1 . . . A 125 GLU CG . 11451 1 1183 . 1 1 125 125 GLU N N 15 115.272 0.030 . 1 . . . A 125 GLU N . 11451 1 1184 . 1 1 126 126 VAL H H 1 8.786 0.025 . 1 . . . A 126 VAL H . 11451 1 1185 . 1 1 126 126 VAL HA H 1 3.909 0.007 . 1 . . . A 126 VAL HA . 11451 1 1186 . 1 1 126 126 VAL HB H 1 1.962 0.001 . 1 . . . A 126 VAL HB . 11451 1 1187 . 1 1 126 126 VAL HG21 H 1 0.621 0.009 . 2 . . . A 126 VAL HG21 . 11451 1 1188 . 1 1 126 126 VAL HG22 H 1 0.621 0.009 . 2 . . . A 126 VAL HG21 . 11451 1 1189 . 1 1 126 126 VAL HG23 H 1 0.621 0.009 . 2 . . . A 126 VAL HG21 . 11451 1 1190 . 1 1 126 126 VAL CA C 13 63.265 0.002 . 1 . . . A 126 VAL CA . 11451 1 1191 . 1 1 126 126 VAL CB C 13 31.810 0.1 . 1 . . . A 126 VAL CB . 11451 1 1192 . 1 1 126 126 VAL CG2 C 13 21.176 0.1 . 2 . . . A 126 VAL CG2 . 11451 1 1193 . 1 1 126 126 VAL N N 15 123.948 0.018 . 1 . . . A 126 VAL N . 11451 1 1194 . 1 1 127 127 VAL H H 1 9.096 0.007 . 1 . . . A 127 VAL H . 11451 1 1195 . 1 1 127 127 VAL HA H 1 4.350 0.004 . 1 . . . A 127 VAL HA . 11451 1 1196 . 1 1 127 127 VAL HB H 1 2.020 0.003 . 1 . . . A 127 VAL HB . 11451 1 1197 . 1 1 127 127 VAL HG21 H 1 0.640 0.004 . 2 . . . A 127 VAL HG21 . 11451 1 1198 . 1 1 127 127 VAL HG22 H 1 0.640 0.004 . 2 . . . A 127 VAL HG21 . 11451 1 1199 . 1 1 127 127 VAL HG23 H 1 0.640 0.004 . 2 . . . A 127 VAL HG21 . 11451 1 1200 . 1 1 127 127 VAL CA C 13 61.494 0.004 . 1 . . . A 127 VAL CA . 11451 1 1201 . 1 1 127 127 VAL CB C 13 32.482 0.005 . 1 . . . A 127 VAL CB . 11451 1 1202 . 1 1 127 127 VAL CG2 C 13 19.034 0.002 . 2 . . . A 127 VAL CG2 . 11451 1 1203 . 1 1 127 127 VAL N N 15 123.644 0.117 . 1 . . . A 127 VAL N . 11451 1 1204 . 1 1 128 128 ASP H H 1 7.719 0.010 . 1 . . . A 128 ASP H . 11451 1 1205 . 1 1 128 128 ASP HA H 1 4.922 0.005 . 1 . . . A 128 ASP HA . 11451 1 1206 . 1 1 128 128 ASP HB2 H 1 2.532 0.004 . 2 . . . A 128 ASP HB2 . 11451 1 1207 . 1 1 128 128 ASP CA C 13 54.401 0.001 . 1 . . . A 128 ASP CA . 11451 1 1208 . 1 1 128 128 ASP CB C 13 43.049 0.002 . 1 . . . A 128 ASP CB . 11451 1 1209 . 1 1 128 128 ASP N N 15 121.165 0.055 . 1 . . . A 128 ASP N . 11451 1 1210 . 1 1 129 129 GLY H H 1 8.276 0.003 . 1 . . . A 129 GLY H . 11451 1 1211 . 1 1 129 129 GLY HA2 H 1 3.939 0.004 . 2 . . . A 129 GLY HA2 . 11451 1 1212 . 1 1 129 129 GLY CA C 13 45.761 0.004 . 1 . . . A 129 GLY CA . 11451 1 1213 . 1 1 129 129 GLY N N 15 110.821 0.011 . 1 . . . A 129 GLY N . 11451 1 1214 . 1 1 130 130 MET H H 1 8.945 0.008 . 1 . . . A 130 MET H . 11451 1 1215 . 1 1 130 130 MET HA H 1 4.468 0.007 . 1 . . . A 130 MET HA . 11451 1 1216 . 1 1 130 130 MET HB2 H 1 1.932 0.003 . 2 . . . A 130 MET HB2 . 11451 1 1217 . 1 1 130 130 MET HG2 H 1 2.377 0.009 . 2 . . . A 130 MET HG2 . 11451 1 1218 . 1 1 130 130 MET HE1 H 1 1.770 0.002 . 1 . . . A 130 MET HE1 . 11451 1 1219 . 1 1 130 130 MET HE2 H 1 1.770 0.002 . 1 . . . A 130 MET HE2 . 11451 1 1220 . 1 1 130 130 MET HE3 H 1 1.770 0.002 . 1 . . . A 130 MET HE3 . 11451 1 1221 . 1 1 130 130 MET CA C 13 55.953 0.092 . 1 . . . A 130 MET CA . 11451 1 1222 . 1 1 130 130 MET CB C 13 28.771 0.002 . 1 . . . A 130 MET CB . 11451 1 1223 . 1 1 130 130 MET CG C 13 32.999 0.002 . 1 . . . A 130 MET CG . 11451 1 1224 . 1 1 130 130 MET CE C 13 15.674 0.001 . 1 . . . A 130 MET CE . 11451 1 1225 . 1 1 130 130 MET N N 15 122.991 0.021 . 1 . . . A 130 MET N . 11451 1 1226 . 1 1 131 131 ASP H H 1 8.924 0.004 . 1 . . . A 131 ASP H . 11451 1 1227 . 1 1 131 131 ASP HA H 1 4.245 0.005 . 1 . . . A 131 ASP HA . 11451 1 1228 . 1 1 131 131 ASP HB2 H 1 2.509 0.002 . 2 . . . A 131 ASP HB2 . 11451 1 1229 . 1 1 131 131 ASP CA C 13 56.639 0.1 . 1 . . . A 131 ASP CA . 11451 1 1230 . 1 1 131 131 ASP CB C 13 38.678 0.004 . 1 . . . A 131 ASP CB . 11451 1 1231 . 1 1 131 131 ASP N N 15 117.183 0.037 . 1 . . . A 131 ASP N . 11451 1 1232 . 1 1 132 132 VAL H H 1 7.222 0.012 . 1 . . . A 132 VAL H . 11451 1 1233 . 1 1 132 132 VAL HA H 1 3.439 0.001 . 1 . . . A 132 VAL HA . 11451 1 1234 . 1 1 132 132 VAL HB H 1 2.302 0.002 . 1 . . . A 132 VAL HB . 11451 1 1235 . 1 1 132 132 VAL HG21 H 1 0.919 0.006 . 2 . . . A 132 VAL HG21 . 11451 1 1236 . 1 1 132 132 VAL HG22 H 1 0.919 0.006 . 2 . . . A 132 VAL HG21 . 11451 1 1237 . 1 1 132 132 VAL HG23 H 1 0.919 0.006 . 2 . . . A 132 VAL HG21 . 11451 1 1238 . 1 1 132 132 VAL CA C 13 66.015 0.002 . 1 . . . A 132 VAL CA . 11451 1 1239 . 1 1 132 132 VAL CB C 13 30.781 0.002 . 1 . . . A 132 VAL CB . 11451 1 1240 . 1 1 132 132 VAL CG2 C 13 21.000 0.1 . 2 . . . A 132 VAL CG2 . 11451 1 1241 . 1 1 132 132 VAL N N 15 124.340 0.012 . 1 . . . A 132 VAL N . 11451 1 1242 . 1 1 133 133 VAL H H 1 7.367 0.013 . 1 . . . A 133 VAL H . 11451 1 1243 . 1 1 133 133 VAL HA H 1 3.018 0.003 . 1 . . . A 133 VAL HA . 11451 1 1244 . 1 1 133 133 VAL HB H 1 2.389 0.003 . 1 . . . A 133 VAL HB . 11451 1 1245 . 1 1 133 133 VAL HG21 H 1 0.905 0.005 . 2 . . . A 133 VAL HG21 . 11451 1 1246 . 1 1 133 133 VAL HG22 H 1 0.905 0.005 . 2 . . . A 133 VAL HG21 . 11451 1 1247 . 1 1 133 133 VAL HG23 H 1 0.905 0.005 . 2 . . . A 133 VAL HG21 . 11451 1 1248 . 1 1 133 133 VAL CA C 13 67.076 0.003 . 1 . . . A 133 VAL CA . 11451 1 1249 . 1 1 133 133 VAL CB C 13 30.820 0.001 . 1 . . . A 133 VAL CB . 11451 1 1250 . 1 1 133 133 VAL CG2 C 13 22.684 0.1 . 2 . . . A 133 VAL CG2 . 11451 1 1251 . 1 1 133 133 VAL N N 15 121.730 0.034 . 1 . . . A 133 VAL N . 11451 1 1252 . 1 1 134 134 ASP H H 1 8.411 0.005 . 1 . . . A 134 ASP H . 11451 1 1253 . 1 1 134 134 ASP HA H 1 4.250 0.02 . 1 . . . A 134 ASP HA . 11451 1 1254 . 1 1 134 134 ASP HB2 H 1 2.550 0.02 . 2 . . . A 134 ASP HB2 . 11451 1 1255 . 1 1 134 134 ASP CA C 13 56.263 0.1 . 1 . . . A 134 ASP CA . 11451 1 1256 . 1 1 134 134 ASP CB C 13 39.812 0.1 . 1 . . . A 134 ASP CB . 11451 1 1257 . 1 1 134 134 ASP N N 15 117.555 0.010 . 1 . . . A 134 ASP N . 11451 1 1258 . 1 1 135 135 LYS H H 1 7.418 0.009 . 1 . . . A 135 LYS H . 11451 1 1259 . 1 1 135 135 LYS HA H 1 4.001 0.006 . 1 . . . A 135 LYS HA . 11451 1 1260 . 1 1 135 135 LYS HB3 H 1 1.871 0.004 . 2 . . . A 135 LYS HB3 . 11451 1 1261 . 1 1 135 135 LYS HG3 H 1 1.422 0.004 . 2 . . . A 135 LYS HG3 . 11451 1 1262 . 1 1 135 135 LYS HD3 H 1 1.652 0.004 . 2 . . . A 135 LYS HD3 . 11451 1 1263 . 1 1 135 135 LYS HE2 H 1 2.854 0.02 . 2 . . . A 135 LYS HE2 . 11451 1 1264 . 1 1 135 135 LYS CA C 13 58.908 0.006 . 1 . . . A 135 LYS CA . 11451 1 1265 . 1 1 135 135 LYS CB C 13 32.010 0.001 . 1 . . . A 135 LYS CB . 11451 1 1266 . 1 1 135 135 LYS CG C 13 24.492 0.003 . 1 . . . A 135 LYS CG . 11451 1 1267 . 1 1 135 135 LYS CD C 13 28.815 0.1 . 1 . . . A 135 LYS CD . 11451 1 1268 . 1 1 135 135 LYS CE C 13 41.813 0.1 . 1 . . . A 135 LYS CE . 11451 1 1269 . 1 1 135 135 LYS N N 15 122.646 0.078 . 1 . . . A 135 LYS N . 11451 1 1270 . 1 1 136 136 ILE H H 1 8.075 0.015 . 1 . . . A 136 ILE H . 11451 1 1271 . 1 1 136 136 ILE HA H 1 3.062 0.010 . 1 . . . A 136 ILE HA . 11451 1 1272 . 1 1 136 136 ILE HB H 1 1.430 0.004 . 1 . . . A 136 ILE HB . 11451 1 1273 . 1 1 136 136 ILE HG12 H 1 0.137 0.010 . 2 . . . A 136 ILE HG12 . 11451 1 1274 . 1 1 136 136 ILE HG21 H 1 0.318 0.004 . 1 . . . A 136 ILE HG21 . 11451 1 1275 . 1 1 136 136 ILE HG22 H 1 0.318 0.004 . 1 . . . A 136 ILE HG21 . 11451 1 1276 . 1 1 136 136 ILE HG23 H 1 0.318 0.004 . 1 . . . A 136 ILE HG21 . 11451 1 1277 . 1 1 136 136 ILE HD11 H 1 0.173 0.042 . 1 . . . A 136 ILE HD11 . 11451 1 1278 . 1 1 136 136 ILE HD12 H 1 0.173 0.042 . 1 . . . A 136 ILE HD11 . 11451 1 1279 . 1 1 136 136 ILE HD13 H 1 0.173 0.042 . 1 . . . A 136 ILE HD11 . 11451 1 1280 . 1 1 136 136 ILE CA C 13 65.307 0.079 . 1 . . . A 136 ILE CA . 11451 1 1281 . 1 1 136 136 ILE CB C 13 37.299 0.002 . 1 . . . A 136 ILE CB . 11451 1 1282 . 1 1 136 136 ILE CG1 C 13 27.787 0.006 . 1 . . . A 136 ILE CG1 . 11451 1 1283 . 1 1 136 136 ILE CG2 C 13 17.215 0.003 . 1 . . . A 136 ILE CG2 . 11451 1 1284 . 1 1 136 136 ILE CD1 C 13 12.944 0.1 . 1 . . . A 136 ILE CD1 . 11451 1 1285 . 1 1 136 136 ILE N N 15 121.613 0.017 . 1 . . . A 136 ILE N . 11451 1 1286 . 1 1 137 137 LYS H H 1 7.976 0.008 . 1 . . . A 137 LYS H . 11451 1 1287 . 1 1 137 137 LYS HA H 1 3.744 0.009 . 1 . . . A 137 LYS HA . 11451 1 1288 . 1 1 137 137 LYS HB3 H 1 1.405 0.004 . 2 . . . A 137 LYS HB3 . 11451 1 1289 . 1 1 137 137 LYS HG3 H 1 0.963 0.002 . 2 . . . A 137 LYS HG3 . 11451 1 1290 . 1 1 137 137 LYS HD3 H 1 1.538 0.004 . 2 . . . A 137 LYS HD3 . 11451 1 1291 . 1 1 137 137 LYS HE2 H 1 2.993 0.008 . 2 . . . A 137 LYS HE2 . 11451 1 1292 . 1 1 137 137 LYS CA C 13 57.888 0.1 . 1 . . . A 137 LYS CA . 11451 1 1293 . 1 1 137 137 LYS CB C 13 31.355 0.005 . 1 . . . A 137 LYS CB . 11451 1 1294 . 1 1 137 137 LYS CG C 13 22.496 0.003 . 1 . . . A 137 LYS CG . 11451 1 1295 . 1 1 137 137 LYS CD C 13 29.572 0.1 . 1 . . . A 137 LYS CD . 11451 1 1296 . 1 1 137 137 LYS CE C 13 41.668 0.003 . 1 . . . A 137 LYS CE . 11451 1 1297 . 1 1 137 137 LYS N N 15 113.499 0.018 . 1 . . . A 137 LYS N . 11451 1 1298 . 1 1 138 138 GLY H H 1 6.858 0.004 . 1 . . . A 138 GLY H . 11451 1 1299 . 1 1 138 138 GLY HA2 H 1 4.195 0.008 . 2 . . . A 138 GLY HA2 . 11451 1 1300 . 1 1 138 138 GLY CA C 13 44.181 0.001 . 1 . . . A 138 GLY CA . 11451 1 1301 . 1 1 138 138 GLY N N 15 104.829 0.046 . 1 . . . A 138 GLY N . 11451 1 1302 . 1 1 139 139 VAL H H 1 7.220 0.006 . 1 . . . A 139 VAL H . 11451 1 1303 . 1 1 139 139 VAL HA H 1 4.083 0.011 . 1 . . . A 139 VAL HA . 11451 1 1304 . 1 1 139 139 VAL HB H 1 2.327 0.004 . 1 . . . A 139 VAL HB . 11451 1 1305 . 1 1 139 139 VAL HG21 H 1 0.828 0.004 . 2 . . . A 139 VAL HG21 . 11451 1 1306 . 1 1 139 139 VAL HG22 H 1 0.828 0.004 . 2 . . . A 139 VAL HG21 . 11451 1 1307 . 1 1 139 139 VAL HG23 H 1 0.828 0.004 . 2 . . . A 139 VAL HG21 . 11451 1 1308 . 1 1 139 139 VAL CA C 13 61.744 0.004 . 1 . . . A 139 VAL CA . 11451 1 1309 . 1 1 139 139 VAL CB C 13 32.850 0.1 . 1 . . . A 139 VAL CB . 11451 1 1310 . 1 1 139 139 VAL CG2 C 13 16.106 0.005 . 2 . . . A 139 VAL CG2 . 11451 1 1311 . 1 1 139 139 VAL N N 15 116.189 0.010 . 1 . . . A 139 VAL N . 11451 1 1312 . 1 1 140 140 ALA H H 1 8.262 0.007 . 1 . . . A 140 ALA H . 11451 1 1313 . 1 1 140 140 ALA HA H 1 4.282 0.005 . 1 . . . A 140 ALA HA . 11451 1 1314 . 1 1 140 140 ALA HB1 H 1 1.315 0.005 . 1 . . . A 140 ALA HB1 . 11451 1 1315 . 1 1 140 140 ALA HB2 H 1 1.315 0.005 . 1 . . . A 140 ALA HB1 . 11451 1 1316 . 1 1 140 140 ALA HB3 H 1 1.315 0.005 . 1 . . . A 140 ALA HB1 . 11451 1 1317 . 1 1 140 140 ALA CA C 13 52.850 0.1 . 1 . . . A 140 ALA CA . 11451 1 1318 . 1 1 140 140 ALA CB C 13 18.372 0.003 . 1 . . . A 140 ALA CB . 11451 1 1319 . 1 1 140 140 ALA N N 15 123.097 0.048 . 1 . . . A 140 ALA N . 11451 1 1320 . 1 1 141 141 THR H H 1 8.278 0.005 . 1 . . . A 141 THR H . 11451 1 1321 . 1 1 141 141 THR HA H 1 4.925 0.004 . 1 . . . A 141 THR HA . 11451 1 1322 . 1 1 141 141 THR HB H 1 3.740 0.005 . 1 . . . A 141 THR HB . 11451 1 1323 . 1 1 141 141 THR HG21 H 1 0.965 0.001 . 1 . . . A 141 THR HG21 . 11451 1 1324 . 1 1 141 141 THR HG22 H 1 0.965 0.001 . 1 . . . A 141 THR HG21 . 11451 1 1325 . 1 1 141 141 THR HG23 H 1 0.965 0.001 . 1 . . . A 141 THR HG21 . 11451 1 1326 . 1 1 141 141 THR CA C 13 59.382 0.242 . 1 . . . A 141 THR CA . 11451 1 1327 . 1 1 141 141 THR CB C 13 73.286 0.001 . 1 . . . A 141 THR CB . 11451 1 1328 . 1 1 141 141 THR CG2 C 13 20.522 0.1 . 1 . . . A 141 THR CG2 . 11451 1 1329 . 1 1 141 141 THR N N 15 113.326 0.082 . 1 . . . A 141 THR N . 11451 1 1330 . 1 1 142 142 GLY H H 1 8.484 0.007 . 1 . . . A 142 GLY H . 11451 1 1331 . 1 1 142 142 GLY HA2 H 1 4.210 0.007 . 2 . . . A 142 GLY HA2 . 11451 1 1332 . 1 1 142 142 GLY CA C 13 45.172 0.005 . 1 . . . A 142 GLY CA . 11451 1 1333 . 1 1 142 142 GLY N N 15 107.299 0.026 . 1 . . . A 142 GLY N . 11451 1 1334 . 1 1 143 143 ARG H H 1 8.185 0.004 . 1 . . . A 143 ARG H . 11451 1 1335 . 1 1 143 143 ARG HA H 1 4.797 0.007 . 1 . . . A 143 ARG HA . 11451 1 1336 . 1 1 143 143 ARG HB3 H 1 1.652 0.005 . 2 . . . A 143 ARG HB3 . 11451 1 1337 . 1 1 143 143 ARG HG3 H 1 1.470 0.010 . 2 . . . A 143 ARG HG3 . 11451 1 1338 . 1 1 143 143 ARG HD2 H 1 3.057 0.010 . 2 . . . A 143 ARG HD2 . 11451 1 1339 . 1 1 143 143 ARG CA C 13 55.200 0.1 . 1 . . . A 143 ARG CA . 11451 1 1340 . 1 1 143 143 ARG CB C 13 31.351 0.006 . 1 . . . A 143 ARG CB . 11451 1 1341 . 1 1 143 143 ARG CG C 13 27.032 0.004 . 1 . . . A 143 ARG CG . 11451 1 1342 . 1 1 143 143 ARG CD C 13 43.092 0.002 . 1 . . . A 143 ARG CD . 11451 1 1343 . 1 1 143 143 ARG N N 15 120.230 0.044 . 1 . . . A 143 ARG N . 11451 1 1344 . 1 1 144 144 SER H H 1 8.427 0.011 . 1 . . . A 144 SER H . 11451 1 1345 . 1 1 144 144 SER HA H 1 4.466 0.02 . 1 . . . A 144 SER HA . 11451 1 1346 . 1 1 144 144 SER HB3 H 1 3.652 0.002 . 2 . . . A 144 SER HB3 . 11451 1 1347 . 1 1 144 144 SER CA C 13 56.856 0.1 . 1 . . . A 144 SER CA . 11451 1 1348 . 1 1 144 144 SER CB C 13 63.174 0.004 . 1 . . . A 144 SER CB . 11451 1 1349 . 1 1 144 144 SER N N 15 119.429 0.038 . 1 . . . A 144 SER N . 11451 1 1350 . 1 1 145 145 GLY H H 1 8.902 0.012 . 1 . . . A 145 GLY H . 11451 1 1351 . 1 1 145 145 GLY HA2 H 1 3.493 0.02 . 2 . . . A 145 GLY HA2 . 11451 1 1352 . 1 1 145 145 GLY CA C 13 46.686 0.1 . 1 . . . A 145 GLY CA . 11451 1 1353 . 1 1 145 145 GLY N N 15 117.736 0.057 . 1 . . . A 145 GLY N . 11451 1 1354 . 1 1 146 146 MET H H 1 8.827 0.02 . 1 . . . A 146 MET H . 11451 1 1355 . 1 1 146 146 MET HA H 1 4.315 0.02 . 1 . . . A 146 MET HA . 11451 1 1356 . 1 1 146 146 MET CA C 13 55.431 0.1 . 1 . . . A 146 MET CA . 11451 1 1357 . 1 1 146 146 MET N N 15 125.723 0.2 . 1 . . . A 146 MET N . 11451 1 1358 . 1 1 147 147 HIS H H 1 8.010 0.008 . 1 . . . A 147 HIS H . 11451 1 1359 . 1 1 147 147 HIS HA H 1 4.424 0.02 . 1 . . . A 147 HIS HA . 11451 1 1360 . 1 1 147 147 HIS HB2 H 1 3.004 0.02 . 2 . . . A 147 HIS HB2 . 11451 1 1361 . 1 1 147 147 HIS HB3 H 1 2.994 0.004 . 2 . . . A 147 HIS HB3 . 11451 1 1362 . 1 1 147 147 HIS HD2 H 1 7.066 0.010 . 1 . . . A 147 HIS HD2 . 11451 1 1363 . 1 1 147 147 HIS HE1 H 1 7.688 0.026 . 1 . . . A 147 HIS HE1 . 11451 1 1364 . 1 1 147 147 HIS CA C 13 56.075 0.1 . 1 . . . A 147 HIS CA . 11451 1 1365 . 1 1 147 147 HIS CB C 13 31.593 0.037 . 1 . . . A 147 HIS CB . 11451 1 1366 . 1 1 147 147 HIS CD2 C 13 119.974 0.112 . 1 . . . A 147 HIS CD2 . 11451 1 1367 . 1 1 147 147 HIS CE1 C 13 138.308 0.041 . 1 . . . A 147 HIS CE1 . 11451 1 1368 . 1 1 147 147 HIS N N 15 121.581 0.015 . 1 . . . A 147 HIS N . 11451 1 1369 . 1 1 148 148 GLN H H 1 8.681 0.004 . 1 . . . A 148 GLN H . 11451 1 1370 . 1 1 148 148 GLN HA H 1 4.470 0.02 . 1 . . . A 148 GLN HA . 11451 1 1371 . 1 1 148 148 GLN HB2 H 1 1.731 0.016 . 2 . . . A 148 GLN HB2 . 11451 1 1372 . 1 1 148 148 GLN HG2 H 1 2.087 0.005 . 2 . . . A 148 GLN HG2 . 11451 1 1373 . 1 1 148 148 GLN HE21 H 1 7.491 0.015 . 2 . . . A 148 GLN HE21 . 11451 1 1374 . 1 1 148 148 GLN HE22 H 1 6.632 0.004 . 2 . . . A 148 GLN HE22 . 11451 1 1375 . 1 1 148 148 GLN CA C 13 54.464 0.1 . 1 . . . A 148 GLN CA . 11451 1 1376 . 1 1 148 148 GLN CB C 13 31.691 0.009 . 1 . . . A 148 GLN CB . 11451 1 1377 . 1 1 148 148 GLN CG C 13 33.524 0.003 . 1 . . . A 148 GLN CG . 11451 1 1378 . 1 1 148 148 GLN N N 15 121.305 0.022 . 1 . . . A 148 GLN N . 11451 1 1379 . 1 1 148 148 GLN NE2 N 15 112.598 0.007 . 1 . . . A 148 GLN NE2 . 11451 1 1380 . 1 1 149 149 ASP H H 1 8.635 0.002 . 1 . . . A 149 ASP H . 11451 1 1381 . 1 1 149 149 ASP HB2 H 1 2.839 0.006 . 2 . . . A 149 ASP HB2 . 11451 1 1382 . 1 1 149 149 ASP CB C 13 39.479 0.1 . 1 . . . A 149 ASP CB . 11451 1 1383 . 1 1 149 149 ASP N N 15 117.085 0.039 . 1 . . . A 149 ASP N . 11451 1 1384 . 1 1 150 150 VAL H H 1 8.470 0.004 . 1 . . . A 150 VAL H . 11451 1 1385 . 1 1 150 150 VAL HA H 1 4.379 0.007 . 1 . . . A 150 VAL HA . 11451 1 1386 . 1 1 150 150 VAL HB H 1 1.755 0.003 . 1 . . . A 150 VAL HB . 11451 1 1387 . 1 1 150 150 VAL HG21 H 1 0.788 0.003 . 2 . . . A 150 VAL HG21 . 11451 1 1388 . 1 1 150 150 VAL HG22 H 1 0.788 0.003 . 2 . . . A 150 VAL HG21 . 11451 1 1389 . 1 1 150 150 VAL HG23 H 1 0.788 0.003 . 2 . . . A 150 VAL HG21 . 11451 1 1390 . 1 1 150 150 VAL CA C 13 59.168 0.002 . 1 . . . A 150 VAL CA . 11451 1 1391 . 1 1 150 150 VAL CB C 13 33.080 0.001 . 1 . . . A 150 VAL CB . 11451 1 1392 . 1 1 150 150 VAL CG2 C 13 21.984 0.1 . 2 . . . A 150 VAL CG2 . 11451 1 1393 . 1 1 150 150 VAL N N 15 120.313 0.034 . 1 . . . A 150 VAL N . 11451 1 1394 . 1 1 151 151 PRO HA H 1 4.414 0.002 . 1 . . . A 151 PRO HA . 11451 1 1395 . 1 1 151 151 PRO HB3 H 1 2.139 0.001 . 2 . . . A 151 PRO HB3 . 11451 1 1396 . 1 1 151 151 PRO HG2 H 1 2.267 0.005 . 2 . . . A 151 PRO HG2 . 11451 1 1397 . 1 1 151 151 PRO HD2 H 1 3.454 0.004 . 2 . . . A 151 PRO HD2 . 11451 1 1398 . 1 1 151 151 PRO HD3 H 1 3.889 0.02 . 2 . . . A 151 PRO HD3 . 11451 1 1399 . 1 1 151 151 PRO CA C 13 63.936 0.1 . 1 . . . A 151 PRO CA . 11451 1 1400 . 1 1 151 151 PRO CB C 13 32.176 0.1 . 1 . . . A 151 PRO CB . 11451 1 1401 . 1 1 151 151 PRO CG C 13 28.620 0.001 . 1 . . . A 151 PRO CG . 11451 1 1402 . 1 1 151 151 PRO CD C 13 51.282 0.089 . 1 . . . A 151 PRO CD . 11451 1 1403 . 1 1 152 152 LYS H H 1 8.169 0.007 . 1 . . . A 152 LYS H . 11451 1 1404 . 1 1 152 152 LYS HA H 1 3.871 0.002 . 1 . . . A 152 LYS HA . 11451 1 1405 . 1 1 152 152 LYS HB3 H 1 1.701 0.004 . 2 . . . A 152 LYS HB3 . 11451 1 1406 . 1 1 152 152 LYS HG3 H 1 1.097 0.005 . 2 . . . A 152 LYS HG3 . 11451 1 1407 . 1 1 152 152 LYS HD3 H 1 1.481 0.002 . 2 . . . A 152 LYS HD3 . 11451 1 1408 . 1 1 152 152 LYS HE2 H 1 2.755 0.003 . 2 . . . A 152 LYS HE2 . 11451 1 1409 . 1 1 152 152 LYS CA C 13 58.601 0.003 . 1 . . . A 152 LYS CA . 11451 1 1410 . 1 1 152 152 LYS CB C 13 31.785 0.003 . 1 . . . A 152 LYS CB . 11451 1 1411 . 1 1 152 152 LYS CG C 13 24.946 0.004 . 1 . . . A 152 LYS CG . 11451 1 1412 . 1 1 152 152 LYS CD C 13 28.161 0.045 . 1 . . . A 152 LYS CD . 11451 1 1413 . 1 1 152 152 LYS CE C 13 41.411 0.002 . 1 . . . A 152 LYS CE . 11451 1 1414 . 1 1 152 152 LYS N N 15 125.675 0.052 . 1 . . . A 152 LYS N . 11451 1 1415 . 1 1 153 153 GLU H H 1 7.960 0.007 . 1 . . . A 153 GLU H . 11451 1 1416 . 1 1 153 153 GLU HA H 1 4.395 0.02 . 1 . . . A 153 GLU HA . 11451 1 1417 . 1 1 153 153 GLU HB2 H 1 1.783 0.003 . 2 . . . A 153 GLU HB2 . 11451 1 1418 . 1 1 153 153 GLU HG2 H 1 2.066 0.001 . 2 . . . A 153 GLU HG2 . 11451 1 1419 . 1 1 153 153 GLU CA C 13 54.216 0.1 . 1 . . . A 153 GLU CA . 11451 1 1420 . 1 1 153 153 GLU CB C 13 30.738 0.002 . 1 . . . A 153 GLU CB . 11451 1 1421 . 1 1 153 153 GLU CG C 13 36.119 0.004 . 1 . . . A 153 GLU CG . 11451 1 1422 . 1 1 153 153 GLU N N 15 119.081 0.047 . 1 . . . A 153 GLU N . 11451 1 1423 . 1 1 154 154 ASP H H 1 8.149 0.004 . 1 . . . A 154 ASP H . 11451 1 1424 . 1 1 154 154 ASP HA H 1 4.232 0.003 . 1 . . . A 154 ASP HA . 11451 1 1425 . 1 1 154 154 ASP HB2 H 1 2.357 0.002 . 2 . . . A 154 ASP HB2 . 11451 1 1426 . 1 1 154 154 ASP CA C 13 56.100 0.1 . 1 . . . A 154 ASP CA . 11451 1 1427 . 1 1 154 154 ASP CB C 13 40.540 0.1 . 1 . . . A 154 ASP CB . 11451 1 1428 . 1 1 154 154 ASP N N 15 121.884 0.094 . 1 . . . A 154 ASP N . 11451 1 1429 . 1 1 155 155 VAL H H 1 10.043 0.005 . 1 . . . A 155 VAL H . 11451 1 1430 . 1 1 155 155 VAL HA H 1 4.439 0.001 . 1 . . . A 155 VAL HA . 11451 1 1431 . 1 1 155 155 VAL HB H 1 2.226 0.009 . 1 . . . A 155 VAL HB . 11451 1 1432 . 1 1 155 155 VAL HG21 H 1 0.936 0.002 . 2 . . . A 155 VAL HG21 . 11451 1 1433 . 1 1 155 155 VAL HG22 H 1 0.936 0.002 . 2 . . . A 155 VAL HG21 . 11451 1 1434 . 1 1 155 155 VAL HG23 H 1 0.936 0.002 . 2 . . . A 155 VAL HG21 . 11451 1 1435 . 1 1 155 155 VAL CA C 13 62.311 0.040 . 1 . . . A 155 VAL CA . 11451 1 1436 . 1 1 155 155 VAL CB C 13 31.469 0.002 . 1 . . . A 155 VAL CB . 11451 1 1437 . 1 1 155 155 VAL CG2 C 13 19.525 0.003 . 2 . . . A 155 VAL CG2 . 11451 1 1438 . 1 1 155 155 VAL N N 15 129.777 0.020 . 1 . . . A 155 VAL N . 11451 1 1439 . 1 1 156 156 ILE H H 1 8.252 0.009 . 1 . . . A 156 ILE H . 11451 1 1440 . 1 1 156 156 ILE HA H 1 4.412 0.001 . 1 . . . A 156 ILE HA . 11451 1 1441 . 1 1 156 156 ILE HB H 1 1.377 0.006 . 1 . . . A 156 ILE HB . 11451 1 1442 . 1 1 156 156 ILE HG12 H 1 0.557 0.006 . 2 . . . A 156 ILE HG12 . 11451 1 1443 . 1 1 156 156 ILE HG21 H 1 0.628 0.02 . 1 . . . A 156 ILE HG21 . 11451 1 1444 . 1 1 156 156 ILE HG22 H 1 0.628 0.02 . 1 . . . A 156 ILE HG21 . 11451 1 1445 . 1 1 156 156 ILE HG23 H 1 0.628 0.02 . 1 . . . A 156 ILE HG21 . 11451 1 1446 . 1 1 156 156 ILE HD11 H 1 0.762 0.005 . 1 . . . A 156 ILE HD11 . 11451 1 1447 . 1 1 156 156 ILE HD12 H 1 0.762 0.005 . 1 . . . A 156 ILE HD11 . 11451 1 1448 . 1 1 156 156 ILE HD13 H 1 0.762 0.005 . 1 . . . A 156 ILE HD11 . 11451 1 1449 . 1 1 156 156 ILE CA C 13 60.685 0.002 . 1 . . . A 156 ILE CA . 11451 1 1450 . 1 1 156 156 ILE CB C 13 42.914 0.002 . 1 . . . A 156 ILE CB . 11451 1 1451 . 1 1 156 156 ILE CG1 C 13 28.310 0.001 . 1 . . . A 156 ILE CG1 . 11451 1 1452 . 1 1 156 156 ILE CG2 C 13 16.378 0.006 . 1 . . . A 156 ILE CG2 . 11451 1 1453 . 1 1 156 156 ILE CD1 C 13 13.017 0.005 . 1 . . . A 156 ILE CD1 . 11451 1 1454 . 1 1 156 156 ILE N N 15 125.807 0.077 . 1 . . . A 156 ILE N . 11451 1 1455 . 1 1 157 157 ILE H H 1 9.168 0.006 . 1 . . . A 157 ILE H . 11451 1 1456 . 1 1 157 157 ILE HA H 1 3.679 0.008 . 1 . . . A 157 ILE HA . 11451 1 1457 . 1 1 157 157 ILE HB H 1 2.004 0.007 . 1 . . . A 157 ILE HB . 11451 1 1458 . 1 1 157 157 ILE HG12 H 1 0.337 0.007 . 2 . . . A 157 ILE HG12 . 11451 1 1459 . 1 1 157 157 ILE HG21 H 1 0.351 0.003 . 1 . . . A 157 ILE HG21 . 11451 1 1460 . 1 1 157 157 ILE HG22 H 1 0.351 0.003 . 1 . . . A 157 ILE HG21 . 11451 1 1461 . 1 1 157 157 ILE HG23 H 1 0.351 0.003 . 1 . . . A 157 ILE HG21 . 11451 1 1462 . 1 1 157 157 ILE HD11 H 1 -0.055 0.003 . 1 . . . A 157 ILE HD11 . 11451 1 1463 . 1 1 157 157 ILE HD12 H 1 -0.055 0.003 . 1 . . . A 157 ILE HD11 . 11451 1 1464 . 1 1 157 157 ILE HD13 H 1 -0.055 0.003 . 1 . . . A 157 ILE HD11 . 11451 1 1465 . 1 1 157 157 ILE CA C 13 62.505 0.002 . 1 . . . A 157 ILE CA . 11451 1 1466 . 1 1 157 157 ILE CB C 13 36.372 0.003 . 1 . . . A 157 ILE CB . 11451 1 1467 . 1 1 157 157 ILE CG1 C 13 27.821 0.003 . 1 . . . A 157 ILE CG1 . 11451 1 1468 . 1 1 157 157 ILE CG2 C 13 18.285 0.005 . 1 . . . A 157 ILE CG2 . 11451 1 1469 . 1 1 157 157 ILE CD1 C 13 11.840 0.085 . 1 . . . A 157 ILE CD1 . 11451 1 1470 . 1 1 157 157 ILE N N 15 126.581 0.030 . 1 . . . A 157 ILE N . 11451 1 1471 . 1 1 158 158 GLU H H 1 8.910 0.005 . 1 . . . A 158 GLU H . 11451 1 1472 . 1 1 158 158 GLU HA H 1 4.040 0.002 . 1 . . . A 158 GLU HA . 11451 1 1473 . 1 1 158 158 GLU HB2 H 1 1.982 0.003 . 2 . . . A 158 GLU HB2 . 11451 1 1474 . 1 1 158 158 GLU HG2 H 1 2.047 0.02 . 2 . . . A 158 GLU HG2 . 11451 1 1475 . 1 1 158 158 GLU CA C 13 58.906 0.1 . 1 . . . A 158 GLU CA . 11451 1 1476 . 1 1 158 158 GLU CB C 13 29.998 0.1 . 1 . . . A 158 GLU CB . 11451 1 1477 . 1 1 158 158 GLU CG C 13 36.278 0.1 . 1 . . . A 158 GLU CG . 11451 1 1478 . 1 1 158 158 GLU N N 15 130.185 0.033 . 1 . . . A 158 GLU N . 11451 1 1479 . 1 1 159 159 SER H H 1 7.772 0.002 . 1 . . . A 159 SER H . 11451 1 1480 . 1 1 159 159 SER HA H 1 4.399 0.001 . 1 . . . A 159 SER HA . 11451 1 1481 . 1 1 159 159 SER HB3 H 1 3.852 0.002 . 2 . . . A 159 SER HB3 . 11451 1 1482 . 1 1 159 159 SER CA C 13 57.505 0.016 . 1 . . . A 159 SER CA . 11451 1 1483 . 1 1 159 159 SER CB C 13 64.403 0.006 . 1 . . . A 159 SER CB . 11451 1 1484 . 1 1 159 159 SER N N 15 108.037 0.010 . 1 . . . A 159 SER N . 11451 1 1485 . 1 1 160 160 VAL H H 1 7.681 0.012 . 1 . . . A 160 VAL H . 11451 1 1486 . 1 1 160 160 VAL HA H 1 5.175 0.008 . 1 . . . A 160 VAL HA . 11451 1 1487 . 1 1 160 160 VAL HB H 1 1.851 0.008 . 1 . . . A 160 VAL HB . 11451 1 1488 . 1 1 160 160 VAL HG21 H 1 0.787 0.007 . 2 . . . A 160 VAL HG21 . 11451 1 1489 . 1 1 160 160 VAL HG22 H 1 0.787 0.007 . 2 . . . A 160 VAL HG21 . 11451 1 1490 . 1 1 160 160 VAL HG23 H 1 0.787 0.007 . 2 . . . A 160 VAL HG21 . 11451 1 1491 . 1 1 160 160 VAL CA C 13 60.565 0.003 . 1 . . . A 160 VAL CA . 11451 1 1492 . 1 1 160 160 VAL CB C 13 35.015 0.141 . 1 . . . A 160 VAL CB . 11451 1 1493 . 1 1 160 160 VAL CG2 C 13 22.474 0.001 . 2 . . . A 160 VAL CG2 . 11451 1 1494 . 1 1 160 160 VAL N N 15 119.790 0.022 . 1 . . . A 160 VAL N . 11451 1 1495 . 1 1 161 161 THR H H 1 8.817 0.017 . 1 . . . A 161 THR H . 11451 1 1496 . 1 1 161 161 THR HA H 1 4.662 0.002 . 1 . . . A 161 THR HA . 11451 1 1497 . 1 1 161 161 THR HB H 1 3.896 0.007 . 1 . . . A 161 THR HB . 11451 1 1498 . 1 1 161 161 THR HG21 H 1 1.126 0.008 . 1 . . . A 161 THR HG21 . 11451 1 1499 . 1 1 161 161 THR HG22 H 1 1.126 0.008 . 1 . . . A 161 THR HG21 . 11451 1 1500 . 1 1 161 161 THR HG23 H 1 1.126 0.008 . 1 . . . A 161 THR HG21 . 11451 1 1501 . 1 1 161 161 THR CA C 13 61.452 0.1 . 1 . . . A 161 THR CA . 11451 1 1502 . 1 1 161 161 THR CB C 13 70.781 0.009 . 1 . . . A 161 THR CB . 11451 1 1503 . 1 1 161 161 THR CG2 C 13 21.527 0.005 . 1 . . . A 161 THR CG2 . 11451 1 1504 . 1 1 161 161 THR N N 15 122.628 0.020 . 1 . . . A 161 THR N . 11451 1 1505 . 1 1 162 162 VAL H H 1 9.075 0.005 . 1 . . . A 162 VAL H . 11451 1 1506 . 1 1 162 162 VAL HA H 1 4.487 0.011 . 1 . . . A 162 VAL HA . 11451 1 1507 . 1 1 162 162 VAL HB H 1 1.976 0.001 . 1 . . . A 162 VAL HB . 11451 1 1508 . 1 1 162 162 VAL HG21 H 1 0.722 0.003 . 2 . . . A 162 VAL HG21 . 11451 1 1509 . 1 1 162 162 VAL HG22 H 1 0.722 0.003 . 2 . . . A 162 VAL HG21 . 11451 1 1510 . 1 1 162 162 VAL HG23 H 1 0.722 0.003 . 2 . . . A 162 VAL HG21 . 11451 1 1511 . 1 1 162 162 VAL CA C 13 61.757 0.1 . 1 . . . A 162 VAL CA . 11451 1 1512 . 1 1 162 162 VAL CB C 13 32.482 0.003 . 1 . . . A 162 VAL CB . 11451 1 1513 . 1 1 162 162 VAL CG2 C 13 20.914 0.1 . 2 . . . A 162 VAL CG2 . 11451 1 1514 . 1 1 162 162 VAL N N 15 129.304 0.025 . 1 . . . A 162 VAL N . 11451 1 1515 . 1 1 163 163 SER H H 1 8.727 0.003 . 1 . . . A 163 SER H . 11451 1 1516 . 1 1 163 163 SER HA H 1 4.601 0.02 . 1 . . . A 163 SER HA . 11451 1 1517 . 1 1 163 163 SER HB3 H 1 3.673 0.003 . 2 . . . A 163 SER HB3 . 11451 1 1518 . 1 1 163 163 SER CA C 13 57.521 0.1 . 1 . . . A 163 SER CA . 11451 1 1519 . 1 1 163 163 SER CB C 13 64.409 0.006 . 1 . . . A 163 SER CB . 11451 1 1520 . 1 1 163 163 SER N N 15 123.979 0.028 . 1 . . . A 163 SER N . 11451 1 1521 . 1 1 164 164 GLU H H 1 8.235 0.006 . 1 . . . A 164 GLU H . 11451 1 1522 . 1 1 164 164 GLU HA H 1 4.082 0.006 . 1 . . . A 164 GLU HA . 11451 1 1523 . 1 1 164 164 GLU HB2 H 1 1.788 0.003 . 2 . . . A 164 GLU HB2 . 11451 1 1524 . 1 1 164 164 GLU HG2 H 1 2.084 0.011 . 2 . . . A 164 GLU HG2 . 11451 1 1525 . 1 1 164 164 GLU CA C 13 58.133 0.003 . 1 . . . A 164 GLU CA . 11451 1 1526 . 1 1 164 164 GLU CB C 13 30.543 0.1 . 1 . . . A 164 GLU CB . 11451 1 1527 . 1 1 164 164 GLU CG C 13 36.206 0.1 . 1 . . . A 164 GLU CG . 11451 1 1528 . 1 1 164 164 GLU N N 15 128.961 0.067 . 1 . . . A 164 GLU N . 11451 1 stop_ save_