data_4722 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4722 _Entry.Title ; 1H,13C and 15N resonance assignments of Aquifex aeolifex aeolicus shikimate kinase in complex with shikimate ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-04-14 _Entry.Accession_date 2000-04-17 _Entry.Last_release_date 2000-04-17 _Entry.Original_release_date 2000-04-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Qin Liu . . . . 4722 2 Yue Li . . . . 4722 3 Yan Wu . . . . 4722 4 Honggao Yan . . . . 4722 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4722 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 694 4722 '15N chemical shifts' 168 4722 '1H chemical shifts' 1158 4722 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 . . 2000-06-15 . original BMRB . 4722 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4722 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of Aquifex aeolicus shikimate kinase in complex with the substrate shikimate ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 17 _Citation.Journal_issue 3 _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 277 _Citation.Page_last 278 _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Qin Liu . . . . 4722 1 2 Yue Li . . . . 4722 1 3 Yan Wu . . . . 4722 1 4 Honggao Yan . . . . 4722 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4722 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10427747 _Citation.Full_citation ; J Biomol NMR 1999 Jun;14(2):189-90 1H, 13C and 15N resonance assignments of Escherichia coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase and its complex with MgAMPPCP. Shi G, Gao J, Yan H ; _Citation.Title ; 1H, 13C and 15N resonance assignments of Escherichia coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase and its complex with MgAMPPCP. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 14 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 189 _Citation.Page_last 190 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 G. Shi G. . . . 4722 2 2 J. Gao J. . . . 4722 2 3 H. Yan H. . . . 4722 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SK _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SK _Assembly.Entry_ID 4722 _Assembly.ID 1 _Assembly.Name 'Shikimate Kinase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4722 1 stop_ 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 SK 1 $SK . . . native . . . . . 4722 1 2 'Shikimic Acid' 2 $SKM . . . native . . . . . 4722 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 10 10 SG . 1 . 1 CYS 110 110 SG . . . . . . . . . . . . 4722 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 10 10 HG . . . . 4722 1 2 . 1 1 CYS 110 110 HG . . . . 4722 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID SK abbreviation 4722 1 'Shikimate Kinase' system 4722 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'phosphoryl transfer' 4722 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SK _Entity.Sf_category entity _Entity.Sf_framecode SK _Entity.Entry_ID 4722 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Shikimate Kinase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRIYLIGFMCSGKSTVGSLL SRSLNIPFYDVDEEVQKREG LSIPQIFEKKGEAYFRKLEF EVLKDLSEKENVVISTGGGL GANEEALNFMKSRGTTVFID IPFEVFLERCKDSKERPLLK RPLDEIKNLFEERRKIYSKA DIKVKGEKPPEEVVKEILLS LEGNALGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 168 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . no PDB 2PT5 . 'Crystal Structure Of Shikimate Kinase (Aq_2177) From Aquifex Aeolicus Vf5' . . . . . 99.40 168 98.80 98.80 6.06e-87 . . . . 4722 1 . no GenBank AAC07875 . 'shikimate kinase [Aquifex aeolicus VF5]' . . . . . 100.00 168 100.00 100.00 1.73e-89 . . . . 4722 1 . no REF NP_214494 . 'shikimate kinase [Aquifex aeolicus VF5]' . . . . . 100.00 168 100.00 100.00 1.73e-89 . . . . 4722 1 . no SWISS-PROT O67925 . 'Shikimate kinase (SK)' . . . . . 100.00 168 100.00 100.00 1.73e-89 . . . . 4722 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SK abbreviation 4722 1 'Shikimate Kinase' common 4722 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 . 4722 1 2 . ARG . 4722 1 3 . ILE . 4722 1 4 . TYR . 4722 1 5 . LEU . 4722 1 6 . ILE . 4722 1 7 . GLY . 4722 1 8 . PHE . 4722 1 9 . MET . 4722 1 10 . CYS . 4722 1 11 . SER . 4722 1 12 . GLY . 4722 1 13 . LYS . 4722 1 14 . SER . 4722 1 15 . THR . 4722 1 16 . VAL . 4722 1 17 . GLY . 4722 1 18 . SER . 4722 1 19 . LEU . 4722 1 20 . LEU . 4722 1 21 . SER . 4722 1 22 . ARG . 4722 1 23 . SER . 4722 1 24 . LEU . 4722 1 25 . ASN . 4722 1 26 . ILE . 4722 1 27 . PRO . 4722 1 28 . PHE . 4722 1 29 . TYR . 4722 1 30 . ASP . 4722 1 31 . VAL . 4722 1 32 . ASP . 4722 1 33 . GLU . 4722 1 34 . GLU . 4722 1 35 . VAL . 4722 1 36 . GLN . 4722 1 37 . LYS . 4722 1 38 . ARG . 4722 1 39 . GLU . 4722 1 40 . GLY . 4722 1 41 . LEU . 4722 1 42 . SER . 4722 1 43 . ILE . 4722 1 44 . PRO . 4722 1 45 . GLN . 4722 1 46 . ILE . 4722 1 47 . PHE . 4722 1 48 . GLU . 4722 1 49 . LYS . 4722 1 50 . LYS . 4722 1 51 . GLY . 4722 1 52 . GLU . 4722 1 53 . ALA . 4722 1 54 . TYR . 4722 1 55 . PHE . 4722 1 56 . ARG . 4722 1 57 . LYS . 4722 1 58 . LEU . 4722 1 59 . GLU . 4722 1 60 . PHE . 4722 1 61 . GLU . 4722 1 62 . VAL . 4722 1 63 . LEU . 4722 1 64 . LYS . 4722 1 65 . ASP . 4722 1 66 . LEU . 4722 1 67 . SER . 4722 1 68 . GLU . 4722 1 69 . LYS . 4722 1 70 . GLU . 4722 1 71 . ASN . 4722 1 72 . VAL . 4722 1 73 . VAL . 4722 1 74 . ILE . 4722 1 75 . SER . 4722 1 76 . THR . 4722 1 77 . GLY . 4722 1 78 . GLY . 4722 1 79 . GLY . 4722 1 80 . LEU . 4722 1 81 . GLY . 4722 1 82 . ALA . 4722 1 83 . ASN . 4722 1 84 . GLU . 4722 1 85 . GLU . 4722 1 86 . ALA . 4722 1 87 . LEU . 4722 1 88 . ASN . 4722 1 89 . PHE . 4722 1 90 . MET . 4722 1 91 . LYS . 4722 1 92 . SER . 4722 1 93 . ARG . 4722 1 94 . GLY . 4722 1 95 . THR . 4722 1 96 . THR . 4722 1 97 . VAL . 4722 1 98 . PHE . 4722 1 99 . ILE . 4722 1 100 . ASP . 4722 1 101 . ILE . 4722 1 102 . PRO . 4722 1 103 . PHE . 4722 1 104 . GLU . 4722 1 105 . VAL . 4722 1 106 . PHE . 4722 1 107 . LEU . 4722 1 108 . GLU . 4722 1 109 . ARG . 4722 1 110 . CYS . 4722 1 111 . LYS . 4722 1 112 . ASP . 4722 1 113 . SER . 4722 1 114 . LYS . 4722 1 115 . GLU . 4722 1 116 . ARG . 4722 1 117 . PRO . 4722 1 118 . LEU . 4722 1 119 . LEU . 4722 1 120 . LYS . 4722 1 121 . ARG . 4722 1 122 . PRO . 4722 1 123 . LEU . 4722 1 124 . ASP . 4722 1 125 . GLU . 4722 1 126 . ILE . 4722 1 127 . LYS . 4722 1 128 . ASN . 4722 1 129 . LEU . 4722 1 130 . PHE . 4722 1 131 . GLU . 4722 1 132 . GLU . 4722 1 133 . ARG . 4722 1 134 . ARG . 4722 1 135 . LYS . 4722 1 136 . ILE . 4722 1 137 . TYR . 4722 1 138 . SER . 4722 1 139 . LYS . 4722 1 140 . ALA . 4722 1 141 . ASP . 4722 1 142 . ILE . 4722 1 143 . LYS . 4722 1 144 . VAL . 4722 1 145 . LYS . 4722 1 146 . GLY . 4722 1 147 . GLU . 4722 1 148 . LYS . 4722 1 149 . PRO . 4722 1 150 . PRO . 4722 1 151 . GLU . 4722 1 152 . GLU . 4722 1 153 . VAL . 4722 1 154 . VAL . 4722 1 155 . LYS . 4722 1 156 . GLU . 4722 1 157 . ILE . 4722 1 158 . LEU . 4722 1 159 . LEU . 4722 1 160 . SER . 4722 1 161 . LEU . 4722 1 162 . GLU . 4722 1 163 . GLY . 4722 1 164 . ASN . 4722 1 165 . ALA . 4722 1 166 . LEU . 4722 1 167 . GLY . 4722 1 168 . GLY . 4722 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 4722 1 . ARG 2 2 4722 1 . ILE 3 3 4722 1 . TYR 4 4 4722 1 . LEU 5 5 4722 1 . ILE 6 6 4722 1 . GLY 7 7 4722 1 . PHE 8 8 4722 1 . MET 9 9 4722 1 . CYS 10 10 4722 1 . SER 11 11 4722 1 . GLY 12 12 4722 1 . LYS 13 13 4722 1 . SER 14 14 4722 1 . THR 15 15 4722 1 . VAL 16 16 4722 1 . GLY 17 17 4722 1 . SER 18 18 4722 1 . LEU 19 19 4722 1 . LEU 20 20 4722 1 . SER 21 21 4722 1 . ARG 22 22 4722 1 . SER 23 23 4722 1 . LEU 24 24 4722 1 . ASN 25 25 4722 1 . ILE 26 26 4722 1 . PRO 27 27 4722 1 . PHE 28 28 4722 1 . TYR 29 29 4722 1 . ASP 30 30 4722 1 . VAL 31 31 4722 1 . ASP 32 32 4722 1 . GLU 33 33 4722 1 . GLU 34 34 4722 1 . VAL 35 35 4722 1 . GLN 36 36 4722 1 . LYS 37 37 4722 1 . ARG 38 38 4722 1 . GLU 39 39 4722 1 . GLY 40 40 4722 1 . LEU 41 41 4722 1 . SER 42 42 4722 1 . ILE 43 43 4722 1 . PRO 44 44 4722 1 . GLN 45 45 4722 1 . ILE 46 46 4722 1 . PHE 47 47 4722 1 . GLU 48 48 4722 1 . LYS 49 49 4722 1 . LYS 50 50 4722 1 . GLY 51 51 4722 1 . GLU 52 52 4722 1 . ALA 53 53 4722 1 . TYR 54 54 4722 1 . PHE 55 55 4722 1 . ARG 56 56 4722 1 . LYS 57 57 4722 1 . LEU 58 58 4722 1 . GLU 59 59 4722 1 . PHE 60 60 4722 1 . GLU 61 61 4722 1 . VAL 62 62 4722 1 . LEU 63 63 4722 1 . LYS 64 64 4722 1 . ASP 65 65 4722 1 . LEU 66 66 4722 1 . SER 67 67 4722 1 . GLU 68 68 4722 1 . LYS 69 69 4722 1 . GLU 70 70 4722 1 . ASN 71 71 4722 1 . VAL 72 72 4722 1 . VAL 73 73 4722 1 . ILE 74 74 4722 1 . SER 75 75 4722 1 . THR 76 76 4722 1 . GLY 77 77 4722 1 . GLY 78 78 4722 1 . GLY 79 79 4722 1 . LEU 80 80 4722 1 . GLY 81 81 4722 1 . ALA 82 82 4722 1 . ASN 83 83 4722 1 . GLU 84 84 4722 1 . GLU 85 85 4722 1 . ALA 86 86 4722 1 . LEU 87 87 4722 1 . ASN 88 88 4722 1 . PHE 89 89 4722 1 . MET 90 90 4722 1 . LYS 91 91 4722 1 . SER 92 92 4722 1 . ARG 93 93 4722 1 . GLY 94 94 4722 1 . THR 95 95 4722 1 . THR 96 96 4722 1 . VAL 97 97 4722 1 . PHE 98 98 4722 1 . ILE 99 99 4722 1 . ASP 100 100 4722 1 . ILE 101 101 4722 1 . PRO 102 102 4722 1 . PHE 103 103 4722 1 . GLU 104 104 4722 1 . VAL 105 105 4722 1 . PHE 106 106 4722 1 . LEU 107 107 4722 1 . GLU 108 108 4722 1 . ARG 109 109 4722 1 . CYS 110 110 4722 1 . LYS 111 111 4722 1 . ASP 112 112 4722 1 . SER 113 113 4722 1 . LYS 114 114 4722 1 . GLU 115 115 4722 1 . ARG 116 116 4722 1 . PRO 117 117 4722 1 . LEU 118 118 4722 1 . LEU 119 119 4722 1 . LYS 120 120 4722 1 . ARG 121 121 4722 1 . PRO 122 122 4722 1 . LEU 123 123 4722 1 . ASP 124 124 4722 1 . GLU 125 125 4722 1 . ILE 126 126 4722 1 . LYS 127 127 4722 1 . ASN 128 128 4722 1 . LEU 129 129 4722 1 . PHE 130 130 4722 1 . GLU 131 131 4722 1 . GLU 132 132 4722 1 . ARG 133 133 4722 1 . ARG 134 134 4722 1 . LYS 135 135 4722 1 . ILE 136 136 4722 1 . TYR 137 137 4722 1 . SER 138 138 4722 1 . LYS 139 139 4722 1 . ALA 140 140 4722 1 . ASP 141 141 4722 1 . ILE 142 142 4722 1 . LYS 143 143 4722 1 . VAL 144 144 4722 1 . LYS 145 145 4722 1 . GLY 146 146 4722 1 . GLU 147 147 4722 1 . LYS 148 148 4722 1 . PRO 149 149 4722 1 . PRO 150 150 4722 1 . GLU 151 151 4722 1 . GLU 152 152 4722 1 . VAL 153 153 4722 1 . VAL 154 154 4722 1 . LYS 155 155 4722 1 . GLU 156 156 4722 1 . ILE 157 157 4722 1 . LEU 158 158 4722 1 . LEU 159 159 4722 1 . SER 160 160 4722 1 . LEU 161 161 4722 1 . GLU 162 162 4722 1 . GLY 163 163 4722 1 . ASN 164 164 4722 1 . ALA 165 165 4722 1 . LEU 166 166 4722 1 . GLY 167 167 4722 1 . GLY 168 168 4722 1 stop_ save_ save_SKM _Entity.Sf_category entity _Entity.Sf_framecode SKM _Entity.Entry_ID 4722 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name SKM _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID SKM _Entity.Nonpolymer_comp_label $chem_comp_SKM _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SKM . 4722 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4722 _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 $SK . 63363 organism . 'Aquifex aeolicus' 'aquifex aeolicus' . . Eubacteria . Aquifex aeolicus 'E. coli' . . . . . . . . . pET-17b . . 4722 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 4722 _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 $SK . 'recombinant technology' . . . . . . . . . . . . . . . . 4722 1 2 2 $SKM . vendor . . . . . . . . . . . . . . Sigma . 4722 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_SKM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_SKM _Chem_comp.Entry_ID 4722 _Chem_comp.ID SKM _Chem_comp.Provenance PDB _Chem_comp.Name '(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code SKM _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2004-08-16 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code SKM _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms SHIKIMATE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C7 H10 O5' _Chem_comp.Formula_weight 174.151 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1U8A _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jul 19 10:34:26 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C1C(C(C(C=C1C(=O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 4722 SKM C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4722 SKM InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1 InChI InChI 1.03 4722 SKM JXOHGGNKMLTUBP-HSUXUTPPSA-N InChIKey InChI 1.03 4722 SKM O=C(O)C1=CC(O)C(O)C(O)C1 SMILES ACDLabs 10.04 4722 SKM O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O SMILES_CANONICAL CACTVS 3.341 4722 SKM O[CH]1CC(=C[CH](O)[CH]1O)C(O)=O SMILES CACTVS 3.341 4722 SKM stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 4722 SKM '(3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4722 SKM stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID O12 . O12 . . O . . N 0 . . . . no no . . . . 36.950 . -35.355 . 28.767 . 3.115 -0.170 0.414 1 . 4722 SKM C8 . C8 . . C . . S 0 . . . . no no . . . . 36.229 . -36.020 . 29.806 . 1.704 -0.047 0.598 2 . 4722 SKM C6 . C6 . . C . . R 0 . . . . no no . . . . 37.213 . -36.403 . 30.930 . 1.141 1.014 -0.355 3 . 4722 SKM O7 . O7 . . O . . N 0 . . . . no no . . . . 36.505 . -37.012 . 32.013 . 1.879 2.229 -0.210 4 . 4722 SKM C5 . C5 . . C . . N 0 . . . . no no . . . . 37.952 . -35.140 . 31.413 . -0.328 1.260 -0.003 5 . 4722 SKM C4 . C4 . . C . . N 0 . . . . no no . . . . 37.002 . -33.949 . 31.648 . -1.060 -0.047 0.099 6 . 4722 SKM C1 . C1 . . C . . N 0 . . . . no no . . . . 37.533 . -32.702 . 32.377 . -2.528 -0.023 0.046 7 . 4722 SKM O2 . O2 . . O . . N 0 . . . . no no . . . . 38.804 . -32.552 . 32.558 . -3.179 1.149 -0.090 8 . 4722 SKM O3 . O3 . . O . . N 0 . . . . no no . . . . 36.721 . -31.785 . 32.781 . -3.156 -1.061 0.126 9 . 4722 SKM C10 . C10 . . C . . N 0 . . . . no no . . . . 35.742 . -33.933 . 31.177 . -0.463 -1.212 0.233 10 . 4722 SKM C9 . C9 . . C . . R 0 . . . . no no . . . . 35.134 . -35.091 . 30.362 . 1.027 -1.384 0.291 11 . 4722 SKM O11 . O11 . . O . . N 0 . . . . no no . . . . 34.349 . -34.565 . 29.288 . 1.498 -1.868 -0.969 12 . 4722 SKM H12 . H12 . . H . . N 0 . . . . no no . . . . 36.344 . -35.119 . 28.075 . 3.418 -0.855 1.027 13 . 4722 SKM H8 . H8 . . H . . N 0 . . . . no no . . . . 35.746 . -36.939 . 29.400 . 1.492 0.243 1.627 14 . 4722 SKM H6 . H6 . . H . . N 0 . . . . no no . . . . 37.958 . -37.135 . 30.540 . 1.216 0.660 -1.384 15 . 4722 SKM HO7 . HO7 . . H . . N 0 . . . . no no . . . . 37.111 . -37.248 . 32.705 . 1.488 2.868 -0.822 16 . 4722 SKM H51 . H51 . . H . . N 0 . . . . no no . . . . 38.774 . -34.864 . 30.711 . -0.388 1.783 0.951 17 . 4722 SKM H52 . H52 . . H . . N 0 . . . . no no . . . . 38.558 . -35.355 . 32.324 . -0.788 1.872 -0.778 18 . 4722 SKM HO2 . HO2 . . H . . N 0 . . . . no no . . . . 39.132 . -31.782 . 33.008 . -4.146 1.164 -0.124 19 . 4722 SKM H10 . H10 . . H . . N 0 . . . . no no . . . . 35.223 . -32.999 . 31.451 . -1.080 -2.095 0.305 20 . 4722 SKM H9 . H9 . . H . . N 0 . . . . no no . . . . 34.485 . -35.692 . 31.041 . 1.278 -2.104 1.071 21 . 4722 SKM H11 . H11 . . H . . N 0 . . . . no no . . . . 33.674 . -33.992 . 29.631 . 1.060 -2.716 -1.124 22 . 4722 SKM stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O12 C8 no N 1 . 4722 SKM 2 . SING O12 H12 no N 2 . 4722 SKM 3 . SING C8 C6 no N 3 . 4722 SKM 4 . SING C8 C9 no N 4 . 4722 SKM 5 . SING C8 H8 no N 5 . 4722 SKM 6 . SING C6 O7 no N 6 . 4722 SKM 7 . SING C6 C5 no N 7 . 4722 SKM 8 . SING C6 H6 no N 8 . 4722 SKM 9 . SING O7 HO7 no N 9 . 4722 SKM 10 . SING C5 C4 no N 10 . 4722 SKM 11 . SING C5 H51 no N 11 . 4722 SKM 12 . SING C5 H52 no N 12 . 4722 SKM 13 . SING C4 C1 no N 13 . 4722 SKM 14 . DOUB C4 C10 no N 14 . 4722 SKM 15 . SING C1 O2 no N 15 . 4722 SKM 16 . DOUB C1 O3 no N 16 . 4722 SKM 17 . SING O2 HO2 no N 17 . 4722 SKM 18 . SING C10 C9 no N 18 . 4722 SKM 19 . SING C10 H10 no N 19 . 4722 SKM 20 . SING C9 O11 no N 20 . 4722 SKM 21 . SING C9 H9 no N 21 . 4722 SKM 22 . SING O11 H11 no N 22 . 4722 SKM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4722 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Shikimate Kinase' [U-15N] . . 1 $SK . . 2.0 . . mM . . . . 4722 1 2 'Shikimic Acid' . . . 2 $SKM . . 44 . . mM . . . . 4722 1 3 'sodium phosphate' . . . . . . . 100 . . mM . . . . 4722 1 4 H2O . . . . . . . 90 . . % . . . . 4722 1 5 D2O . . . . . . . 10 . . % . . . . 4722 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4722 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Shikimate Kinase' '[U-15N; U-13C]' . . 1 $SK . . 2.0 . . mM . . . . 4722 2 2 'Shikimic Acid' . . . 2 $SKM . . 44 . . mM . . . . 4722 2 3 'sodium phosphate' . . . . . . . 100 . . mM . . . . 4722 2 4 H2O . . . . . . . 90 . . % . . . . 4722 2 5 D2O . . . . . . . 10 . . % . . . . 4722 2 stop_ save_ ####################### # Sample conditions # ####################### save_EX-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode EX-cond_1 _Sample_condition_list.Entry_ID 4722 _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 pH 6.51 0.05 n/a 4722 1 temperature 303 0.1 K 4722 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4722 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4722 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 4722 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 4722 _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 1H,15N-HSQC . . . . . . . . . . . . . . . . 1 $EX-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4722 1 2 '15N-edited NOESY' . . . . . . . . . . . . . . . . 1 $EX-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4722 1 3 '15N-edited TOCSY' . . . . . . . . . . . . . . . . 1 $EX-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4722 1 4 HNCACB . . . . . . . . . . . . . . . . 1 $EX-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4722 1 5 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $EX-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4722 1 6 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $EX-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4722 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4722 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 'sodium acetate' 'methyl carbon' . . . . ppm 25.85 . direct . . . . . . 4722 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 4722 1 N 15 'ammonium chloride' nitrogen . . . . ppm 78.98 . direct . . . . . . 4722 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_chem_shifts_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shifts_set_1 _Assigned_chem_shift_list.Entry_ID 4722 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $EX-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 1H,15N-HSQC . . . 4722 1 2 '15N-edited NOESY' . . . 4722 1 3 '15N-edited TOCSY' . . . 4722 1 4 HNCACB . . . 4722 1 5 CBCA(CO)NH . . . 4722 1 6 HCCH-TOCSY . . . 4722 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.28 0.04 . 1 . . . . . . . . . 4722 1 2 . 1 1 1 1 MET HB2 H 1 2.27 0.04 . 2 . . . . . . . . . 4722 1 3 . 1 1 1 1 MET HB3 H 1 2.21 0.04 . 2 . . . . . . . . . 4722 1 4 . 1 1 1 1 MET HG2 H 1 2.47 0.04 . 1 . . . . . . . . . 4722 1 5 . 1 1 1 1 MET HG3 H 1 2.47 0.04 . 1 . . . . . . . . . 4722 1 6 . 1 1 1 1 MET CA C 13 55.5 0.5 . 1 . . . . . . . . . 4722 1 7 . 1 1 1 1 MET CB C 13 33.7 0.5 . 1 . . . . . . . . . 4722 1 8 . 1 1 1 1 MET CG C 13 31.2 0.2 . 1 . . . . . . . . . 4722 1 9 . 1 1 2 2 ARG H H 1 8.74 0.01 . 1 . . . . . . . . . 4722 1 10 . 1 1 2 2 ARG HA H 1 5.20 0.04 . 1 . . . . . . . . . 4722 1 11 . 1 1 2 2 ARG HB2 H 1 1.09 0.04 . 1 . . . . . . . . . 4722 1 12 . 1 1 2 2 ARG HB3 H 1 1.09 0.04 . 1 . . . . . . . . . 4722 1 13 . 1 1 2 2 ARG HG2 H 1 1.49 0.04 . 1 . . . . . . . . . 4722 1 14 . 1 1 2 2 ARG HG3 H 1 1.49 0.04 . 1 . . . . . . . . . 4722 1 15 . 1 1 2 2 ARG HD2 H 1 3.29 0.04 . 1 . . . . . . . . . 4722 1 16 . 1 1 2 2 ARG HD3 H 1 3.29 0.04 . 1 . . . . . . . . . 4722 1 17 . 1 1 2 2 ARG C C 13 176.1 0.2 . 1 . . . . . . . . . 4722 1 18 . 1 1 2 2 ARG CA C 13 55.3 0.5 . 1 . . . . . . . . . 4722 1 19 . 1 1 2 2 ARG CB C 13 32.9 0.5 . 1 . . . . . . . . . 4722 1 20 . 1 1 2 2 ARG CG C 13 28.9 0.5 . 1 . . . . . . . . . 4722 1 21 . 1 1 2 2 ARG CD C 13 44.5 0.5 . 1 . . . . . . . . . 4722 1 22 . 1 1 2 2 ARG N N 15 125.2 0.2 . 1 . . . . . . . . . 4722 1 23 . 1 1 3 3 ILE H H 1 8.28 0.01 . 1 . . . . . . . . . 4722 1 24 . 1 1 3 3 ILE HA H 1 4.70 0.04 . 1 . . . . . . . . . 4722 1 25 . 1 1 3 3 ILE HB H 1 1.66 0.04 . 1 . . . . . . . . . 4722 1 26 . 1 1 3 3 ILE HG12 H 1 1.39 0.04 . 1 . . . . . . . . . 4722 1 27 . 1 1 3 3 ILE HG13 H 1 1.39 0.04 . 1 . . . . . . . . . 4722 1 28 . 1 1 3 3 ILE HG21 H 1 0.75 0.04 . 1 . . . . . . . . . 4722 1 29 . 1 1 3 3 ILE HG22 H 1 0.75 0.04 . 1 . . . . . . . . . 4722 1 30 . 1 1 3 3 ILE HG23 H 1 0.75 0.04 . 1 . . . . . . . . . 4722 1 31 . 1 1 3 3 ILE HD11 H 1 0.75 0.04 . 1 . . . . . . . . . 4722 1 32 . 1 1 3 3 ILE HD12 H 1 0.75 0.04 . 1 . . . . . . . . . 4722 1 33 . 1 1 3 3 ILE HD13 H 1 0.75 0.04 . 1 . . . . . . . . . 4722 1 34 . 1 1 3 3 ILE C C 13 177.4 0.2 . 1 . . . . . . . . . 4722 1 35 . 1 1 3 3 ILE CA C 13 59.6 0.5 . 1 . . . . . . . . . 4722 1 36 . 1 1 3 3 ILE CB C 13 40.7 0.5 . 1 . . . . . . . . . 4722 1 37 . 1 1 3 3 ILE CG1 C 13 28.5 0.5 . 2 . . . . . . . . . 4722 1 38 . 1 1 3 3 ILE CG2 C 13 19.4 0.5 . 2 . . . . . . . . . 4722 1 39 . 1 1 3 3 ILE CD1 C 13 14.2 0.5 . 1 . . . . . . . . . 4722 1 40 . 1 1 3 3 ILE N N 15 124.5 0.2 . 1 . . . . . . . . . 4722 1 41 . 1 1 4 4 TYR H H 1 8.97 0.01 . 1 . . . . . . . . . 4722 1 42 . 1 1 4 4 TYR HA H 1 5.48 0.04 . 1 . . . . . . . . . 4722 1 43 . 1 1 4 4 TYR HB2 H 1 3.01 0.04 . 2 . . . . . . . . . 4722 1 44 . 1 1 4 4 TYR HB3 H 1 2.71 0.04 . 2 . . . . . . . . . 4722 1 45 . 1 1 4 4 TYR HD1 H 1 6.69 0.04 . 1 . . . . . . . . . 4722 1 46 . 1 1 4 4 TYR HD2 H 1 6.69 0.04 . 1 . . . . . . . . . 4722 1 47 . 1 1 4 4 TYR HE1 H 1 6.82 0.04 . 1 . . . . . . . . . 4722 1 48 . 1 1 4 4 TYR HE2 H 1 6.82 0.04 . 1 . . . . . . . . . 4722 1 49 . 1 1 4 4 TYR C C 13 175.4 0.2 . 1 . . . . . . . . . 4722 1 50 . 1 1 4 4 TYR CA C 13 56.6 0.5 . 1 . . . . . . . . . 4722 1 51 . 1 1 4 4 TYR CB C 13 42.6 0.5 . 1 . . . . . . . . . 4722 1 52 . 1 1 4 4 TYR CD1 C 13 134.4 0.5 . 1 . . . . . . . . . 4722 1 53 . 1 1 4 4 TYR CD2 C 13 134.4 0.5 . 1 . . . . . . . . . 4722 1 54 . 1 1 4 4 TYR CE1 C 13 118.8 0.5 . 1 . . . . . . . . . 4722 1 55 . 1 1 4 4 TYR CE2 C 13 118.8 0.5 . 1 . . . . . . . . . 4722 1 56 . 1 1 4 4 TYR N N 15 125.8 0.2 . 1 . . . . . . . . . 4722 1 57 . 1 1 5 5 LEU H H 1 9.14 0.01 . 1 . . . . . . . . . 4722 1 58 . 1 1 5 5 LEU HA H 1 5.43 0.04 . 1 . . . . . . . . . 4722 1 59 . 1 1 5 5 LEU HB2 H 1 1.99 0.04 . 2 . . . . . . . . . 4722 1 60 . 1 1 5 5 LEU HB3 H 1 1.37 0.04 . 2 . . . . . . . . . 4722 1 61 . 1 1 5 5 LEU HG H 1 1.68 0.04 . 1 . . . . . . . . . 4722 1 62 . 1 1 5 5 LEU HD11 H 1 0.90 0.04 . 2 . . . . . . . . . 4722 1 63 . 1 1 5 5 LEU HD12 H 1 0.90 0.04 . 2 . . . . . . . . . 4722 1 64 . 1 1 5 5 LEU HD13 H 1 0.90 0.04 . 2 . . . . . . . . . 4722 1 65 . 1 1 5 5 LEU HD21 H 1 0.80 0.04 . 2 . . . . . . . . . 4722 1 66 . 1 1 5 5 LEU HD22 H 1 0.80 0.04 . 2 . . . . . . . . . 4722 1 67 . 1 1 5 5 LEU HD23 H 1 0.80 0.04 . 2 . . . . . . . . . 4722 1 68 . 1 1 5 5 LEU C C 13 173.9 0.2 . 1 . . . . . . . . . 4722 1 69 . 1 1 5 5 LEU CA C 13 53.9 0.5 . 1 . . . . . . . . . 4722 1 70 . 1 1 5 5 LEU CB C 13 42.7 0.5 . 1 . . . . . . . . . 4722 1 71 . 1 1 5 5 LEU CG C 13 28.5 0.5 . 1 . . . . . . . . . 4722 1 72 . 1 1 5 5 LEU CD1 C 13 27.7 0.5 . 2 . . . . . . . . . 4722 1 73 . 1 1 5 5 LEU CD2 C 13 25.3 0.5 . 2 . . . . . . . . . 4722 1 74 . 1 1 5 5 LEU N N 15 123.3 0.2 . 1 . . . . . . . . . 4722 1 75 . 1 1 6 6 ILE H H 1 9.69 0.01 . 1 . . . . . . . . . 4722 1 76 . 1 1 6 6 ILE HA H 1 4.65 0.04 . 1 . . . . . . . . . 4722 1 77 . 1 1 6 6 ILE HB H 1 2.01 0.04 . 1 . . . . . . . . . 4722 1 78 . 1 1 6 6 ILE HG21 H 1 1.12 0.04 . 1 . . . . . . . . . 4722 1 79 . 1 1 6 6 ILE HG22 H 1 1.12 0.04 . 1 . . . . . . . . . 4722 1 80 . 1 1 6 6 ILE HG23 H 1 1.12 0.04 . 1 . . . . . . . . . 4722 1 81 . 1 1 6 6 ILE HD11 H 1 0.82 0.04 . 1 . . . . . . . . . 4722 1 82 . 1 1 6 6 ILE HD12 H 1 0.82 0.04 . 1 . . . . . . . . . 4722 1 83 . 1 1 6 6 ILE HD13 H 1 0.82 0.04 . 1 . . . . . . . . . 4722 1 84 . 1 1 6 6 ILE C C 13 177.9 0.2 . 1 . . . . . . . . . 4722 1 85 . 1 1 6 6 ILE CA C 13 58.6 0.5 . 1 . . . . . . . . . 4722 1 86 . 1 1 6 6 ILE CB C 13 42.6 0.5 . 1 . . . . . . . . . 4722 1 87 . 1 1 6 6 ILE CG2 C 13 16.3 0.5 . 1 . . . . . . . . . 4722 1 88 . 1 1 6 6 ILE CD1 C 13 16.3 0.5 . 1 . . . . . . . . . 4722 1 89 . 1 1 6 6 ILE N N 15 121.6 0.2 . 1 . . . . . . . . . 4722 1 90 . 1 1 7 7 GLY H H 1 8.30 0.01 . 1 . . . . . . . . . 4722 1 91 . 1 1 7 7 GLY C C 13 178.1 0.2 . 1 . . . . . . . . . 4722 1 92 . 1 1 7 7 GLY CA C 13 43.9 0.5 . 1 . . . . . . . . . 4722 1 93 . 1 1 7 7 GLY N N 15 109.6 0.2 . 1 . . . . . . . . . 4722 1 94 . 1 1 8 8 PHE H H 1 9.86 0.01 . 1 . . . . . . . . . 4722 1 95 . 1 1 8 8 PHE HA H 1 4.93 0.04 . 1 . . . . . . . . . 4722 1 96 . 1 1 8 8 PHE HB2 H 1 3.51 0.04 . 2 . . . . . . . . . 4722 1 97 . 1 1 8 8 PHE HB3 H 1 3.09 0.04 . 2 . . . . . . . . . 4722 1 98 . 1 1 8 8 PHE C C 13 174.1 0.2 . 1 . . . . . . . . . 4722 1 99 . 1 1 8 8 PHE CA C 13 58.2 0.5 . 1 . . . . . . . . . 4722 1 100 . 1 1 8 8 PHE CB C 13 40.2 0.5 . 1 . . . . . . . . . 4722 1 101 . 1 1 8 8 PHE N N 15 122.5 0.2 . 1 . . . . . . . . . 4722 1 102 . 1 1 9 9 MET H H 1 5.80 0.01 . 1 . . . . . . . . . 4722 1 103 . 1 1 9 9 MET HA H 1 4.75 0.04 . 1 . . . . . . . . . 4722 1 104 . 1 1 9 9 MET HB2 H 1 1.74 0.04 . 1 . . . . . . . . . 4722 1 105 . 1 1 9 9 MET HB3 H 1 1.74 0.04 . 1 . . . . . . . . . 4722 1 106 . 1 1 9 9 MET HG2 H 1 2.69 0.04 . 2 . . . . . . . . . 4722 1 107 . 1 1 9 9 MET HG3 H 1 2.32 0.04 . 2 . . . . . . . . . 4722 1 108 . 1 1 9 9 MET C C 13 176.0 0.2 . 1 . . . . . . . . . 4722 1 109 . 1 1 9 9 MET CA C 13 58.6 0.5 . 1 . . . . . . . . . 4722 1 110 . 1 1 9 9 MET CB C 13 37.4 0.5 . 1 . . . . . . . . . 4722 1 111 . 1 1 9 9 MET N N 15 122.0 0.2 . 1 . . . . . . . . . 4722 1 112 . 1 1 10 10 CYS H H 1 9.91 0.01 . 1 . . . . . . . . . 4722 1 113 . 1 1 10 10 CYS HA H 1 4.36 0.04 . 1 . . . . . . . . . 4722 1 114 . 1 1 10 10 CYS HB2 H 1 3.68 0.04 . 2 . . . . . . . . . 4722 1 115 . 1 1 10 10 CYS HB3 H 1 3.85 0.04 . 2 . . . . . . . . . 4722 1 116 . 1 1 10 10 CYS C C 13 176.7 0.2 . 1 . . . . . . . . . 4722 1 117 . 1 1 10 10 CYS CA C 13 60.5 0.5 . 1 . . . . . . . . . 4722 1 118 . 1 1 10 10 CYS CB C 13 42.5 0.5 . 1 . . . . . . . . . 4722 1 119 . 1 1 10 10 CYS N N 15 111.2 0.2 . 1 . . . . . . . . . 4722 1 120 . 1 1 11 11 SER H H 1 8.24 0.01 . 1 . . . . . . . . . 4722 1 121 . 1 1 11 11 SER HA H 1 4.10 0.04 . 1 . . . . . . . . . 4722 1 122 . 1 1 11 11 SER HB2 H 1 3.97 0.04 . 1 . . . . . . . . . 4722 1 123 . 1 1 11 11 SER HB3 H 1 3.97 0.04 . 1 . . . . . . . . . 4722 1 124 . 1 1 11 11 SER C C 13 175.8 0.2 . 1 . . . . . . . . . 4722 1 125 . 1 1 11 11 SER CA C 13 60.4 0.5 . 1 . . . . . . . . . 4722 1 126 . 1 1 11 11 SER CB C 13 64.0 0.5 . 1 . . . . . . . . . 4722 1 127 . 1 1 11 11 SER N N 15 111.9 0.2 . 1 . . . . . . . . . 4722 1 128 . 1 1 12 12 GLY H H 1 9.43 0.01 . 1 . . . . . . . . . 4722 1 129 . 1 1 12 12 GLY HA2 H 1 3.99 0.04 . 2 . . . . . . . . . 4722 1 130 . 1 1 12 12 GLY HA3 H 1 4.09 0.04 . 2 . . . . . . . . . 4722 1 131 . 1 1 12 12 GLY CA C 13 46.0 0.5 . 1 . . . . . . . . . 4722 1 132 . 1 1 12 12 GLY N N 15 113.4 0.2 . 1 . . . . . . . . . 4722 1 133 . 1 1 13 13 LYS H H 1 8.52 0.01 . 1 . . . . . . . . . 4722 1 134 . 1 1 13 13 LYS HA H 1 3.63 0.04 . 1 . . . . . . . . . 4722 1 135 . 1 1 13 13 LYS HB2 H 1 1.82 0.04 . 2 . . . . . . . . . 4722 1 136 . 1 1 13 13 LYS C C 13 171.3 0.2 . 1 . . . . . . . . . 4722 1 137 . 1 1 13 13 LYS CA C 13 60.6 0.5 . 1 . . . . . . . . . 4722 1 138 . 1 1 13 13 LYS CB C 13 31.8 0.5 . 1 . . . . . . . . . 4722 1 139 . 1 1 13 13 LYS N N 15 121.0 0.2 . 1 . . . . . . . . . 4722 1 140 . 1 1 14 14 SER H H 1 8.47 0.01 . 1 . . . . . . . . . 4722 1 141 . 1 1 14 14 SER HA H 1 4.49 0.04 . 1 . . . . . . . . . 4722 1 142 . 1 1 14 14 SER HB2 H 1 4.14 0.04 . 1 . . . . . . . . . 4722 1 143 . 1 1 14 14 SER HB3 H 1 4.14 0.04 . 1 . . . . . . . . . 4722 1 144 . 1 1 14 14 SER C C 13 173.7 0.2 . 1 . . . . . . . . . 4722 1 145 . 1 1 14 14 SER CA C 13 62.3 0.5 . 1 . . . . . . . . . 4722 1 146 . 1 1 14 14 SER CB C 13 62.6 0.5 . 1 . . . . . . . . . 4722 1 147 . 1 1 14 14 SER N N 15 115.4 0.2 . 1 . . . . . . . . . 4722 1 148 . 1 1 15 15 THR H H 1 7.84 0.01 . 1 . . . . . . . . . 4722 1 149 . 1 1 15 15 THR HA H 1 3.88 0.04 . 1 . . . . . . . . . 4722 1 150 . 1 1 15 15 THR HB H 1 4.03 0.04 . 1 . . . . . . . . . 4722 1 151 . 1 1 15 15 THR HG21 H 1 1.22 0.04 . 1 . . . . . . . . . 4722 1 152 . 1 1 15 15 THR HG22 H 1 1.22 0.04 . 1 . . . . . . . . . 4722 1 153 . 1 1 15 15 THR HG23 H 1 1.22 0.04 . 1 . . . . . . . . . 4722 1 154 . 1 1 15 15 THR C C 13 177.7 0.2 . 1 . . . . . . . . . 4722 1 155 . 1 1 15 15 THR CA C 13 66.3 0.5 . 1 . . . . . . . . . 4722 1 156 . 1 1 15 15 THR CB C 13 68.8 0.5 . 1 . . . . . . . . . 4722 1 157 . 1 1 15 15 THR CG2 C 13 22.8 0.5 . 1 . . . . . . . . . 4722 1 158 . 1 1 15 15 THR N N 15 121.8 0.2 . 1 . . . . . . . . . 4722 1 159 . 1 1 16 16 VAL H H 1 8.57 0.01 . 1 . . . . . . . . . 4722 1 160 . 1 1 16 16 VAL HA H 1 3.30 0.04 . 1 . . . . . . . . . 4722 1 161 . 1 1 16 16 VAL HB H 1 1.95 0.04 . 1 . . . . . . . . . 4722 1 162 . 1 1 16 16 VAL HG11 H 1 1.09 0.04 . 2 . . . . . . . . . 4722 1 163 . 1 1 16 16 VAL HG12 H 1 1.09 0.04 . 2 . . . . . . . . . 4722 1 164 . 1 1 16 16 VAL HG13 H 1 1.09 0.04 . 2 . . . . . . . . . 4722 1 165 . 1 1 16 16 VAL HG21 H 1 0.74 0.04 . 2 . . . . . . . . . 4722 1 166 . 1 1 16 16 VAL HG22 H 1 0.74 0.04 . 2 . . . . . . . . . 4722 1 167 . 1 1 16 16 VAL HG23 H 1 0.74 0.04 . 2 . . . . . . . . . 4722 1 168 . 1 1 16 16 VAL C C 13 173.1 0.2 . 1 . . . . . . . . . 4722 1 169 . 1 1 16 16 VAL CA C 13 67.2 0.5 . 1 . . . . . . . . . 4722 1 170 . 1 1 16 16 VAL CB C 13 32.2 0.5 . 1 . . . . . . . . . 4722 1 171 . 1 1 16 16 VAL CG1 C 13 24.4 0.5 . 2 . . . . . . . . . 4722 1 172 . 1 1 16 16 VAL CG2 C 13 22.0 0.5 . 2 . . . . . . . . . 4722 1 173 . 1 1 16 16 VAL N N 15 122.5 0.2 . 1 . . . . . . . . . 4722 1 174 . 1 1 17 17 GLY H H 1 8.70 0.01 . 1 . . . . . . . . . 4722 1 175 . 1 1 17 17 GLY HA2 H 1 3.48 0.04 . 1 . . . . . . . . . 4722 1 176 . 1 1 17 17 GLY HA3 H 1 3.48 0.04 . 1 . . . . . . . . . 4722 1 177 . 1 1 17 17 GLY C C 13 176.0 0.2 . 9 . . . . . . . . . 4722 1 178 . 1 1 17 17 GLY CA C 13 48.9 0.5 . 1 . . . . . . . . . 4722 1 179 . 1 1 17 17 GLY N N 15 108.4 0.2 . 1 . . . . . . . . . 4722 1 180 . 1 1 18 18 SER H H 1 7.16 0.01 . 1 . . . . . . . . . 4722 1 181 . 1 1 18 18 SER HA H 1 3.24 0.04 . 1 . . . . . . . . . 4722 1 182 . 1 1 18 18 SER HB2 H 1 3.54 0.04 . 1 . . . . . . . . . 4722 1 183 . 1 1 18 18 SER HB3 H 1 3.54 0.04 . 1 . . . . . . . . . 4722 1 184 . 1 1 18 18 SER C C 13 173.1 0.2 . 1 . . . . . . . . . 4722 1 185 . 1 1 18 18 SER CA C 13 61.9 0.5 . 1 . . . . . . . . . 4722 1 186 . 1 1 18 18 SER CB C 13 63.2 0.5 . 1 . . . . . . . . . 4722 1 187 . 1 1 18 18 SER N N 15 117.8 0.2 . 1 . . . . . . . . . 4722 1 188 . 1 1 19 19 LEU H H 1 7.31 0.01 . 1 . . . . . . . . . 4722 1 189 . 1 1 19 19 LEU HA H 1 4.06 0.04 . 1 . . . . . . . . . 4722 1 190 . 1 1 19 19 LEU HB2 H 1 1.78 0.04 . 2 . . . . . . . . . 4722 1 191 . 1 1 19 19 LEU HB3 H 1 1.55 0.04 . 2 . . . . . . . . . 4722 1 192 . 1 1 19 19 LEU HD11 H 1 0.83 0.04 . 2 . . . . . . . . . 4722 1 193 . 1 1 19 19 LEU HD12 H 1 0.83 0.04 . 2 . . . . . . . . . 4722 1 194 . 1 1 19 19 LEU HD13 H 1 0.83 0.04 . 2 . . . . . . . . . 4722 1 195 . 1 1 19 19 LEU HD21 H 1 0.79 0.04 . 2 . . . . . . . . . 4722 1 196 . 1 1 19 19 LEU HD22 H 1 0.79 0.04 . 2 . . . . . . . . . 4722 1 197 . 1 1 19 19 LEU HD23 H 1 0.79 0.04 . 2 . . . . . . . . . 4722 1 198 . 1 1 19 19 LEU C C 13 170.6 0.2 . 1 . . . . . . . . . 4722 1 199 . 1 1 19 19 LEU CA C 13 58.1 0.5 . 1 . . . . . . . . . 4722 1 200 . 1 1 19 19 LEU CB C 13 43.0 0.5 . 1 . . . . . . . . . 4722 1 201 . 1 1 19 19 LEU CD1 C 13 23.6 0.5 . 2 . . . . . . . . . 4722 1 202 . 1 1 19 19 LEU N N 15 122.9 0.2 . 1 . . . . . . . . . 4722 1 203 . 1 1 20 20 LEU H H 1 9.14 0.01 . 1 . . . . . . . . . 4722 1 204 . 1 1 20 20 LEU HA H 1 3.99 0.04 . 1 . . . . . . . . . 4722 1 205 . 1 1 20 20 LEU HB2 H 1 1.60 0.04 . 1 . . . . . . . . . 4722 1 206 . 1 1 20 20 LEU HB3 H 1 1.60 0.04 . 1 . . . . . . . . . 4722 1 207 . 1 1 20 20 LEU HD11 H 1 0.92 0.04 . 2 . . . . . . . . . 4722 1 208 . 1 1 20 20 LEU HD12 H 1 0.92 0.04 . 2 . . . . . . . . . 4722 1 209 . 1 1 20 20 LEU HD13 H 1 0.92 0.04 . 2 . . . . . . . . . 4722 1 210 . 1 1 20 20 LEU C C 13 172.3 0.2 . 1 . . . . . . . . . 4722 1 211 . 1 1 20 20 LEU CA C 13 58.2 0.5 . 1 . . . . . . . . . 4722 1 212 . 1 1 20 20 LEU CB C 13 43.0 0.5 . 1 . . . . . . . . . 4722 1 213 . 1 1 20 20 LEU CD1 C 13 25.3 0.5 . 2 . . . . . . . . . 4722 1 214 . 1 1 20 20 LEU N N 15 124.2 0.2 . 1 . . . . . . . . . 4722 1 215 . 1 1 21 21 SER H H 1 8.27 0.01 . 1 . . . . . . . . . 4722 1 216 . 1 1 21 21 SER HA H 1 4.02 0.04 . 1 . . . . . . . . . 4722 1 217 . 1 1 21 21 SER HB2 H 1 4.32 0.04 . 1 . . . . . . . . . 4722 1 218 . 1 1 21 21 SER HB3 H 1 4.32 0.04 . 1 . . . . . . . . . 4722 1 219 . 1 1 21 21 SER C C 13 174.0 0.2 . 1 . . . . . . . . . 4722 1 220 . 1 1 21 21 SER CA C 13 62.4 0.5 . 1 . . . . . . . . . 4722 1 221 . 1 1 21 21 SER CB C 13 62.4 0.5 . 1 . . . . . . . . . 4722 1 222 . 1 1 21 21 SER N N 15 115.5 0.2 . 1 . . . . . . . . . 4722 1 223 . 1 1 22 22 ARG H H 1 7.44 0.01 . 1 . . . . . . . . . 4722 1 224 . 1 1 22 22 ARG HA H 1 4.24 0.04 . 2 . . . . . . . . . 4722 1 225 . 1 1 22 22 ARG HB2 H 1 2.00 0.04 . 1 . . . . . . . . . 4722 1 226 . 1 1 22 22 ARG HB3 H 1 2.00 0.04 . 1 . . . . . . . . . 4722 1 227 . 1 1 22 22 ARG HG2 H 1 1.71 0.04 . 2 . . . . . . . . . 4722 1 228 . 1 1 22 22 ARG HG3 H 1 1.85 0.04 . 2 . . . . . . . . . 4722 1 229 . 1 1 22 22 ARG HD2 H 1 3.20 0.04 . 1 . . . . . . . . . 4722 1 230 . 1 1 22 22 ARG HD3 H 1 3.20 0.04 . 1 . . . . . . . . . 4722 1 231 . 1 1 22 22 ARG C C 13 171.4 0.2 . 1 . . . . . . . . . 4722 1 232 . 1 1 22 22 ARG CA C 13 59.1 0.5 . 1 . . . . . . . . . 4722 1 233 . 1 1 22 22 ARG CB C 13 30.4 0.5 . 1 . . . . . . . . . 4722 1 234 . 1 1 22 22 ARG CG C 13 28.5 0.5 . 1 . . . . . . . . . 4722 1 235 . 1 1 22 22 ARG CD C 13 43.9 0.5 . 1 . . . . . . . . . 4722 1 236 . 1 1 22 22 ARG N N 15 122.1 0.2 . 1 . . . . . . . . . 4722 1 237 . 1 1 23 23 SER H H 1 7.85 0.01 . 1 . . . . . . . . . 4722 1 238 . 1 1 23 23 SER HA H 1 4.27 0.04 . 1 . . . . . . . . . 4722 1 239 . 1 1 23 23 SER HB2 H 1 3.92 0.04 . 2 . . . . . . . . . 4722 1 240 . 1 1 23 23 SER HB3 H 1 3.99 0.04 . 2 . . . . . . . . . 4722 1 241 . 1 1 23 23 SER C C 13 174.9 0.2 . 1 . . . . . . . . . 4722 1 242 . 1 1 23 23 SER CA C 13 62.3 0.5 . 1 . . . . . . . . . 4722 1 243 . 1 1 23 23 SER CB C 13 63.8 0.5 . 1 . . . . . . . . . 4722 1 244 . 1 1 23 23 SER N N 15 116.2 0.2 . 1 . . . . . . . . . 4722 1 245 . 1 1 24 24 LEU H H 1 7.80 0.01 . 1 . . . . . . . . . 4722 1 246 . 1 1 24 24 LEU HA H 1 4.32 0.04 . 1 . . . . . . . . . 4722 1 247 . 1 1 24 24 LEU HB2 H 1 1.54 0.04 . 1 . . . . . . . . . 4722 1 248 . 1 1 24 24 LEU HB3 H 1 1.54 0.04 . 1 . . . . . . . . . 4722 1 249 . 1 1 24 24 LEU HG H 1 1.54 0.04 . 1 . . . . . . . . . 4722 1 250 . 1 1 24 24 LEU HD11 H 1 0.79 0.04 . 2 . . . . . . . . . 4722 1 251 . 1 1 24 24 LEU HD12 H 1 0.79 0.04 . 2 . . . . . . . . . 4722 1 252 . 1 1 24 24 LEU HD13 H 1 0.79 0.04 . 2 . . . . . . . . . 4722 1 253 . 1 1 24 24 LEU HD21 H 1 0.64 0.04 . 2 . . . . . . . . . 4722 1 254 . 1 1 24 24 LEU HD22 H 1 0.64 0.04 . 2 . . . . . . . . . 4722 1 255 . 1 1 24 24 LEU HD23 H 1 0.64 0.04 . 2 . . . . . . . . . 4722 1 256 . 1 1 24 24 LEU C C 13 174.7 0.2 . 1 . . . . . . . . . 4722 1 257 . 1 1 24 24 LEU CA C 13 55.1 0.5 . 1 . . . . . . . . . 4722 1 258 . 1 1 24 24 LEU CB C 13 44.0 0.5 . 1 . . . . . . . . . 4722 1 259 . 1 1 24 24 LEU CG C 13 27.7 0.5 . 1 . . . . . . . . . 4722 1 260 . 1 1 24 24 LEU CD1 C 13 22.8 0.5 . 2 . . . . . . . . . 4722 1 261 . 1 1 24 24 LEU CD2 C 13 26.9 0.5 . 2 . . . . . . . . . 4722 1 262 . 1 1 24 24 LEU N N 15 118.5 0.2 . 1 . . . . . . . . . 4722 1 263 . 1 1 25 25 ASN H H 1 8.01 0.01 . 1 . . . . . . . . . 4722 1 264 . 1 1 25 25 ASN HA H 1 4.39 0.04 . 1 . . . . . . . . . 4722 1 265 . 1 1 25 25 ASN HB2 H 1 3.24 0.04 . 2 . . . . . . . . . 4722 1 266 . 1 1 25 25 ASN HB3 H 1 2.68 0.04 . 2 . . . . . . . . . 4722 1 267 . 1 1 25 25 ASN HD21 H 1 6.73 0.04 . 2 . . . . . . . . . 4722 1 268 . 1 1 25 25 ASN HD22 H 1 7.47 0.04 . 2 . . . . . . . . . 4722 1 269 . 1 1 25 25 ASN C C 13 176.5 0.2 . 1 . . . . . . . . . 4722 1 270 . 1 1 25 25 ASN CA C 13 54.6 0.5 . 1 . . . . . . . . . 4722 1 271 . 1 1 25 25 ASN CB C 13 37.7 0.5 . 1 . . . . . . . . . 4722 1 272 . 1 1 25 25 ASN N N 15 118.9 0.2 . 1 . . . . . . . . . 4722 1 273 . 1 1 25 25 ASN ND2 N 15 112.0 0.2 . 1 . . . . . . . . . 4722 1 274 . 1 1 26 26 ILE H H 1 7.82 0.01 . 1 . . . . . . . . . 4722 1 275 . 1 1 26 26 ILE HA H 1 4.88 0.04 . 1 . . . . . . . . . 4722 1 276 . 1 1 26 26 ILE HB H 1 1.81 0.04 . 1 . . . . . . . . . 4722 1 277 . 1 1 26 26 ILE HG12 H 1 1.37 0.04 . 1 . . . . . . . . . 4722 1 278 . 1 1 26 26 ILE HG13 H 1 1.37 0.04 . 1 . . . . . . . . . 4722 1 279 . 1 1 26 26 ILE HG21 H 1 0.88 0.04 . 1 . . . . . . . . . 4722 1 280 . 1 1 26 26 ILE HG22 H 1 0.88 0.04 . 1 . . . . . . . . . 4722 1 281 . 1 1 26 26 ILE HG23 H 1 0.88 0.04 . 1 . . . . . . . . . 4722 1 282 . 1 1 26 26 ILE HD11 H 1 0.66 0.04 . 1 . . . . . . . . . 4722 1 283 . 1 1 26 26 ILE HD12 H 1 0.66 0.04 . 1 . . . . . . . . . 4722 1 284 . 1 1 26 26 ILE HD13 H 1 0.66 0.04 . 1 . . . . . . . . . 4722 1 285 . 1 1 26 26 ILE CA C 13 59.0 0.5 . 1 . . . . . . . . . 4722 1 286 . 1 1 26 26 ILE CB C 13 40.1 0.5 . 1 . . . . . . . . . 4722 1 287 . 1 1 26 26 ILE CG1 C 13 24.4 0.5 . 2 . . . . . . . . . 4722 1 288 . 1 1 26 26 ILE CG2 C 13 18.8 0.5 . 2 . . . . . . . . . 4722 1 289 . 1 1 26 26 ILE CD1 C 13 14.7 0.5 . 1 . . . . . . . . . 4722 1 290 . 1 1 26 26 ILE N N 15 113.6 0.2 . 1 . . . . . . . . . 4722 1 291 . 1 1 27 27 PRO HA H 1 4.38 0.04 . 1 . . . . . . . . . 4722 1 292 . 1 1 27 27 PRO HB2 H 1 2.39 0.04 . 1 . . . . . . . . . 4722 1 293 . 1 1 27 27 PRO HB3 H 1 1.86 0.04 . 1 . . . . . . . . . 4722 1 294 . 1 1 27 27 PRO HG2 H 1 2.26 0.04 . 2 . . . . . . . . . 4722 1 295 . 1 1 27 27 PRO HG3 H 1 2.08 0.04 . 2 . . . . . . . . . 4722 1 296 . 1 1 27 27 PRO HD2 H 1 3.78 0.04 . 2 . . . . . . . . . 4722 1 297 . 1 1 27 27 PRO HD3 H 1 3.99 0.04 . 2 . . . . . . . . . 4722 1 298 . 1 1 27 27 PRO C C 13 177.3 0.2 . 1 . . . . . . . . . 4722 1 299 . 1 1 27 27 PRO CA C 13 63.6 0.5 . 1 . . . . . . . . . 4722 1 300 . 1 1 27 27 PRO CB C 13 33.4 0.5 . 1 . . . . . . . . . 4722 1 301 . 1 1 27 27 PRO CG C 13 28.5 0.5 . 1 . . . . . . . . . 4722 1 302 . 1 1 27 27 PRO CD C 13 51.3 0.5 . 1 . . . . . . . . . 4722 1 303 . 1 1 28 28 PHE H H 1 7.71 0.01 . 1 . . . . . . . . . 4722 1 304 . 1 1 28 28 PHE HA H 1 5.73 0.04 . 1 . . . . . . . . . 4722 1 305 . 1 1 28 28 PHE HB2 H 1 3.30 0.04 . 2 . . . . . . . . . 4722 1 306 . 1 1 28 28 PHE HB3 H 1 2.60 0.04 . 2 . . . . . . . . . 4722 1 307 . 1 1 28 28 PHE HD1 H 1 6.95 0.01 . 1 . . . . . . . . . 4722 1 308 . 1 1 28 28 PHE HD2 H 1 6.95 0.01 . 1 . . . . . . . . . 4722 1 309 . 1 1 28 28 PHE HE1 H 1 7.33 0.01 . 1 . . . . . . . . . 4722 1 310 . 1 1 28 28 PHE HE2 H 1 7.33 0.01 . 1 . . . . . . . . . 4722 1 311 . 1 1 28 28 PHE HZ H 1 7.25 0.01 . 1 . . . . . . . . . 4722 1 312 . 1 1 28 28 PHE C C 13 176.3 0.2 . 1 . . . . . . . . . 4722 1 313 . 1 1 28 28 PHE CA C 13 55.2 0.5 . 1 . . . . . . . . . 4722 1 314 . 1 1 28 28 PHE CB C 13 43.0 0.5 . 1 . . . . . . . . . 4722 1 315 . 1 1 28 28 PHE N N 15 120.2 0.2 . 1 . . . . . . . . . 4722 1 316 . 1 1 29 29 TYR H H 1 8.30 0.01 . 1 . . . . . . . . . 4722 1 317 . 1 1 29 29 TYR HA H 1 4.13 0.04 . 1 . . . . . . . . . 4722 1 318 . 1 1 29 29 TYR HB2 H 1 3.51 0.04 . 2 . . . . . . . . . 4722 1 319 . 1 1 29 29 TYR HB3 H 1 3.09 0.04 . 2 . . . . . . . . . 4722 1 320 . 1 1 29 29 TYR C C 13 173.8 0.2 . 9 . . . . . . . . . 4722 1 321 . 1 1 29 29 TYR CA C 13 57.5 0.5 . 1 . . . . . . . . . 4722 1 322 . 1 1 29 29 TYR CB C 13 45.4 0.5 . 1 . . . . . . . . . 4722 1 323 . 1 1 29 29 TYR N N 15 125.3 0.2 . 1 . . . . . . . . . 4722 1 324 . 1 1 30 30 ASP H H 1 8.88 0.01 . 1 . . . . . . . . . 4722 1 325 . 1 1 30 30 ASP HA H 1 4.02 0.04 . 1 . . . . . . . . . 4722 1 326 . 1 1 30 30 ASP HB2 H 1 2.41 0.04 . 2 . . . . . . . . . 4722 1 327 . 1 1 30 30 ASP HB3 H 1 0.99 0.04 . 2 . . . . . . . . . 4722 1 328 . 1 1 30 30 ASP C C 13 179.3 0.2 . 1 . . . . . . . . . 4722 1 329 . 1 1 30 30 ASP CA C 13 51.9 0.5 . 1 . . . . . . . . . 4722 1 330 . 1 1 30 30 ASP CB C 13 44.7 0.5 . 1 . . . . . . . . . 4722 1 331 . 1 1 30 30 ASP N N 15 122.4 0.2 . 1 . . . . . . . . . 4722 1 332 . 1 1 31 31 VAL H H 1 8.91 0.01 . 1 . . . . . . . . . 4722 1 333 . 1 1 31 31 VAL HA H 1 3.29 0.04 . 1 . . . . . . . . . 4722 1 334 . 1 1 31 31 VAL HB H 1 2.20 0.04 . 1 . . . . . . . . . 4722 1 335 . 1 1 31 31 VAL HG11 H 1 1.12 0.04 . 2 . . . . . . . . . 4722 1 336 . 1 1 31 31 VAL HG12 H 1 1.12 0.04 . 2 . . . . . . . . . 4722 1 337 . 1 1 31 31 VAL HG13 H 1 1.12 0.04 . 2 . . . . . . . . . 4722 1 338 . 1 1 31 31 VAL HG21 H 1 1.00 0.04 . 2 . . . . . . . . . 4722 1 339 . 1 1 31 31 VAL HG22 H 1 1.00 0.04 . 2 . . . . . . . . . 4722 1 340 . 1 1 31 31 VAL HG23 H 1 1.00 0.04 . 2 . . . . . . . . . 4722 1 341 . 1 1 31 31 VAL C C 13 173.6 0.2 . 1 . . . . . . . . . 4722 1 342 . 1 1 31 31 VAL CA C 13 68.8 0.5 . 1 . . . . . . . . . 4722 1 343 . 1 1 31 31 VAL CB C 13 32.1 0.5 . 1 . . . . . . . . . 4722 1 344 . 1 1 31 31 VAL CG1 C 13 24.4 0.5 . 2 . . . . . . . . . 4722 1 345 . 1 1 31 31 VAL CG2 C 13 25.3 0.5 . 2 . . . . . . . . . 4722 1 346 . 1 1 31 31 VAL N N 15 127.1 0.2 . 1 . . . . . . . . . 4722 1 347 . 1 1 32 32 ASP H H 1 8.51 0.01 . 1 . . . . . . . . . 4722 1 348 . 1 1 32 32 ASP HA H 1 4.14 0.04 . 1 . . . . . . . . . 4722 1 349 . 1 1 32 32 ASP HB2 H 1 2.66 0.04 . 2 . . . . . . . . . 4722 1 350 . 1 1 32 32 ASP HB3 H 1 2.89 0.04 . 2 . . . . . . . . . 4722 1 351 . 1 1 32 32 ASP C C 13 170.6 0.2 . 1 . . . . . . . . . 4722 1 352 . 1 1 32 32 ASP CA C 13 58.3 0.5 . 1 . . . . . . . . . 4722 1 353 . 1 1 32 32 ASP CB C 13 39.8 0.5 . 1 . . . . . . . . . 4722 1 354 . 1 1 32 32 ASP N N 15 119.1 0.2 . 1 . . . . . . . . . 4722 1 355 . 1 1 33 33 GLU H H 1 7.94 0.01 . 1 . . . . . . . . . 4722 1 356 . 1 1 33 33 GLU HA H 1 4.12 0.04 . 1 . . . . . . . . . 4722 1 357 . 1 1 33 33 GLU HB2 H 1 2.32 0.04 . 1 . . . . . . . . . 4722 1 358 . 1 1 33 33 GLU HB3 H 1 2.32 0.04 . 1 . . . . . . . . . 4722 1 359 . 1 1 33 33 GLU HG2 H 1 2.51 0.04 . 1 . . . . . . . . . 4722 1 360 . 1 1 33 33 GLU HG3 H 1 2.51 0.04 . 1 . . . . . . . . . 4722 1 361 . 1 1 33 33 GLU C C 13 171.0 0.2 . 1 . . . . . . . . . 4722 1 362 . 1 1 33 33 GLU CA C 13 59.4 0.5 . 1 . . . . . . . . . 4722 1 363 . 1 1 33 33 GLU CB C 13 30.4 0.5 . 1 . . . . . . . . . 4722 1 364 . 1 1 33 33 GLU N N 15 121.6 0.2 . 1 . . . . . . . . . 4722 1 365 . 1 1 34 34 GLU H H 1 8.66 0.01 . 1 . . . . . . . . . 4722 1 366 . 1 1 34 34 GLU HA H 1 4.15 0.04 . 1 . . . . . . . . . 4722 1 367 . 1 1 34 34 GLU HB2 H 1 2.18 0.04 . 1 . . . . . . . . . 4722 1 368 . 1 1 34 34 GLU HB3 H 1 2.18 0.04 . 1 . . . . . . . . . 4722 1 369 . 1 1 34 34 GLU C C 13 170.8 0.2 . 1 . . . . . . . . . 4722 1 370 . 1 1 34 34 GLU CA C 13 59.4 0.5 . 1 . . . . . . . . . 4722 1 371 . 1 1 34 34 GLU CB C 13 30.1 0.5 . 1 . . . . . . . . . 4722 1 372 . 1 1 34 34 GLU N N 15 121.0 0.2 . 1 . . . . . . . . . 4722 1 373 . 1 1 35 35 VAL H H 1 9.33 0.01 . 1 . . . . . . . . . 4722 1 374 . 1 1 35 35 VAL HA H 1 3.55 0.04 . 1 . . . . . . . . . 4722 1 375 . 1 1 35 35 VAL HB H 1 2.55 0.04 . 1 . . . . . . . . . 4722 1 376 . 1 1 35 35 VAL HG11 H 1 1.10 0.04 . 2 . . . . . . . . . 4722 1 377 . 1 1 35 35 VAL HG12 H 1 1.10 0.04 . 2 . . . . . . . . . 4722 1 378 . 1 1 35 35 VAL HG13 H 1 1.10 0.04 . 2 . . . . . . . . . 4722 1 379 . 1 1 35 35 VAL HG21 H 1 1.06 0.04 . 2 . . . . . . . . . 4722 1 380 . 1 1 35 35 VAL HG22 H 1 1.06 0.04 . 2 . . . . . . . . . 4722 1 381 . 1 1 35 35 VAL HG23 H 1 1.06 0.04 . 2 . . . . . . . . . 4722 1 382 . 1 1 35 35 VAL C C 13 173.3 0.2 . 1 . . . . . . . . . 4722 1 383 . 1 1 35 35 VAL CA C 13 67.8 0.5 . 1 . . . . . . . . . 4722 1 384 . 1 1 35 35 VAL CB C 13 31.5 0.5 . 1 . . . . . . . . . 4722 1 385 . 1 1 35 35 VAL CG1 C 13 22.8 0.5 . 2 . . . . . . . . . 4722 1 386 . 1 1 35 35 VAL CG2 C 13 24.4 0.5 . 2 . . . . . . . . . 4722 1 387 . 1 1 35 35 VAL N N 15 121.6 0.2 . 1 . . . . . . . . . 4722 1 388 . 1 1 36 36 GLN H H 1 7.44 0.01 . 1 . . . . . . . . . 4722 1 389 . 1 1 36 36 GLN HA H 1 4.45 0.04 . 1 . . . . . . . . . 4722 1 390 . 1 1 36 36 GLN HB2 H 1 2.31 0.04 . 1 . . . . . . . . . 4722 1 391 . 1 1 36 36 GLN HB3 H 1 2.31 0.04 . 1 . . . . . . . . . 4722 1 392 . 1 1 36 36 GLN HG2 H 1 2.69 0.04 . 2 . . . . . . . . . 4722 1 393 . 1 1 36 36 GLN HG3 H 1 2.87 0.04 . 2 . . . . . . . . . 4722 1 394 . 1 1 36 36 GLN HE21 H 1 7.22 0.04 . 2 . . . . . . . . . 4722 1 395 . 1 1 36 36 GLN HE22 H 1 7.12 0.04 . 2 . . . . . . . . . 4722 1 396 . 1 1 36 36 GLN C C 13 170.9 0.2 . 1 . . . . . . . . . 4722 1 397 . 1 1 36 36 GLN CA C 13 59.6 0.5 . 1 . . . . . . . . . 4722 1 398 . 1 1 36 36 GLN CB C 13 30.4 0.5 . 1 . . . . . . . . . 4722 1 399 . 1 1 36 36 GLN CG C 13 36.6 0.5 . 1 . . . . . . . . . 4722 1 400 . 1 1 36 36 GLN N N 15 118.2 0.2 . 1 . . . . . . . . . 4722 1 401 . 1 1 36 36 GLN NE2 N 15 112.8 0.04 . 1 . . . . . . . . . 4722 1 402 . 1 1 37 37 LYS H H 1 8.13 0.01 . 1 . . . . . . . . . 4722 1 403 . 1 1 37 37 LYS HA H 1 4.08 0.04 . 1 . . . . . . . . . 4722 1 404 . 1 1 37 37 LYS HB2 H 1 1.97 0.04 . 1 . . . . . . . . . 4722 1 405 . 1 1 37 37 LYS HB3 H 1 1.97 0.04 . 1 . . . . . . . . . 4722 1 406 . 1 1 37 37 LYS HE2 H 1 2.29 0.04 . 1 . . . . . . . . . 4722 1 407 . 1 1 37 37 LYS HE3 H 1 2.29 0.04 . 1 . . . . . . . . . 4722 1 408 . 1 1 37 37 LYS C C 13 171.4 0.2 . 1 . . . . . . . . . 4722 1 409 . 1 1 37 37 LYS CA C 13 59.6 0.5 . 1 . . . . . . . . . 4722 1 410 . 1 1 37 37 LYS CB C 13 33.0 0.5 . 1 . . . . . . . . . 4722 1 411 . 1 1 37 37 LYS N N 15 121.4 0.2 . 1 . . . . . . . . . 4722 1 412 . 1 1 38 38 ARG H H 1 8.09 0.01 . 1 . . . . . . . . . 4722 1 413 . 1 1 38 38 ARG HA H 1 4.12 0.04 . 1 . . . . . . . . . 4722 1 414 . 1 1 38 38 ARG HB2 H 1 1.98 0.04 . 1 . . . . . . . . . 4722 1 415 . 1 1 38 38 ARG HB3 H 1 1.98 0.04 . 1 . . . . . . . . . 4722 1 416 . 1 1 38 38 ARG HG2 H 1 1.77 0.04 . 1 . . . . . . . . . 4722 1 417 . 1 1 38 38 ARG HG3 H 1 1.77 0.04 . 1 . . . . . . . . . 4722 1 418 . 1 1 38 38 ARG HD2 H 1 2.95 0.04 . 2 . . . . . . . . . 4722 1 419 . 1 1 38 38 ARG HD3 H 1 3.20 0.04 . 2 . . . . . . . . . 4722 1 420 . 1 1 38 38 ARG C C 13 172.0 0.2 . 1 . . . . . . . . . 4722 1 421 . 1 1 38 38 ARG CA C 13 59.2 0.5 . 1 . . . . . . . . . 4722 1 422 . 1 1 38 38 ARG CB C 13 30.5 0.5 . 1 . . . . . . . . . 4722 1 423 . 1 1 38 38 ARG CG C 13 28.5 0.5 . 1 . . . . . . . . . 4722 1 424 . 1 1 38 38 ARG CD C 13 44.8 0.5 . 1 . . . . . . . . . 4722 1 425 . 1 1 38 38 ARG N N 15 119.1 0.2 . 1 . . . . . . . . . 4722 1 426 . 1 1 39 39 GLU H H 1 8.17 0.01 . 1 . . . . . . . . . 4722 1 427 . 1 1 39 39 GLU HA H 1 4.17 0.04 . 1 . . . . . . . . . 4722 1 428 . 1 1 39 39 GLU HB2 H 1 2.20 0.04 . 1 . . . . . . . . . 4722 1 429 . 1 1 39 39 GLU HB3 H 1 2.20 0.04 . 1 . . . . . . . . . 4722 1 430 . 1 1 39 39 GLU HG2 H 1 2.28 0.04 . 1 . . . . . . . . . 4722 1 431 . 1 1 39 39 GLU HG3 H 1 2.28 0.04 . 1 . . . . . . . . . 4722 1 432 . 1 1 39 39 GLU C C 13 173.2 0.2 . 1 . . . . . . . . . 4722 1 433 . 1 1 39 39 GLU CA C 13 57.2 0.5 . 1 . . . . . . . . . 4722 1 434 . 1 1 39 39 GLU CB C 13 32.3 0.5 . 1 . . . . . . . . . 4722 1 435 . 1 1 39 39 GLU CG C 13 38.3 0.5 . 1 . . . . . . . . . 4722 1 436 . 1 1 39 39 GLU N N 15 116.7 0.2 . 1 . . . . . . . . . 4722 1 437 . 1 1 40 40 GLY H H 1 8.17 0.01 . 1 . . . . . . . . . 4722 1 438 . 1 1 40 40 GLY HA2 H 1 4.04 0.04 . 2 . . . . . . . . . 4722 1 439 . 1 1 40 40 GLY HA3 H 1 3.87 0.04 . 2 . . . . . . . . . 4722 1 440 . 1 1 40 40 GLY C C 13 177.2 0.2 . 1 . . . . . . . . . 4722 1 441 . 1 1 40 40 GLY CA C 13 46.3 0.5 . 1 . . . . . . . . . 4722 1 442 . 1 1 40 40 GLY N N 15 108.9 0.2 . 1 . . . . . . . . . 4722 1 443 . 1 1 41 41 LEU H H 1 7.13 0.01 . 1 . . . . . . . . . 4722 1 444 . 1 1 41 41 LEU HA H 1 4.72 0.04 . 1 . . . . . . . . . 4722 1 445 . 1 1 41 41 LEU HB2 H 1 1.65 0.04 . 2 . . . . . . . . . 4722 1 446 . 1 1 41 41 LEU HB3 H 1 1.41 0.04 . 2 . . . . . . . . . 4722 1 447 . 1 1 41 41 LEU HD11 H 1 0.94 0.04 . 2 . . . . . . . . . 4722 1 448 . 1 1 41 41 LEU HD12 H 1 0.94 0.04 . 2 . . . . . . . . . 4722 1 449 . 1 1 41 41 LEU HD13 H 1 0.94 0.04 . 2 . . . . . . . . . 4722 1 450 . 1 1 41 41 LEU HD21 H 1 0.84 0.04 . 2 . . . . . . . . . 4722 1 451 . 1 1 41 41 LEU HD22 H 1 0.84 0.04 . 2 . . . . . . . . . 4722 1 452 . 1 1 41 41 LEU HD23 H 1 0.84 0.04 . 2 . . . . . . . . . 4722 1 453 . 1 1 41 41 LEU C C 13 175.6 0.2 . 1 . . . . . . . . . 4722 1 454 . 1 1 41 41 LEU CA C 13 52.8 0.5 . 1 . . . . . . . . . 4722 1 455 . 1 1 41 41 LEU CB C 13 48.9 0.5 . 1 . . . . . . . . . 4722 1 456 . 1 1 41 41 LEU N N 15 118.6 0.2 . 1 . . . . . . . . . 4722 1 457 . 1 1 42 42 SER H H 1 8.51 0.01 . 1 . . . . . . . . . 4722 1 458 . 1 1 42 42 SER HA H 1 4.82 0.04 . 1 . . . . . . . . . 4722 1 459 . 1 1 42 42 SER HB2 H 1 4.02 0.04 . 2 . . . . . . . . . 4722 1 460 . 1 1 42 42 SER HB3 H 1 4.32 0.04 . 2 . . . . . . . . . 4722 1 461 . 1 1 42 42 SER C C 13 175.3 0.2 . 1 . . . . . . . . . 4722 1 462 . 1 1 42 42 SER CA C 13 57.1 0.5 . 1 . . . . . . . . . 4722 1 463 . 1 1 42 42 SER CB C 13 64.9 0.5 . 1 . . . . . . . . . 4722 1 464 . 1 1 42 42 SER N N 15 115.1 0.2 . 1 . . . . . . . . . 4722 1 465 . 1 1 43 43 ILE H H 1 8.89 0.01 . 1 . . . . . . . . . 4722 1 466 . 1 1 43 43 ILE HA H 1 3.92 0.04 . 1 . . . . . . . . . 4722 1 467 . 1 1 43 43 ILE HB H 1 2.14 0.04 . 1 . . . . . . . . . 4722 1 468 . 1 1 43 43 ILE HG12 H 1 1.21 0.04 . 2 . . . . . . . . . 4722 1 469 . 1 1 43 43 ILE HG13 H 1 1.92 0.04 . 2 . . . . . . . . . 4722 1 470 . 1 1 43 43 ILE HG21 H 1 0.53 0.04 . 1 . . . . . . . . . 4722 1 471 . 1 1 43 43 ILE HG22 H 1 0.53 0.04 . 1 . . . . . . . . . 4722 1 472 . 1 1 43 43 ILE HG23 H 1 0.53 0.04 . 1 . . . . . . . . . 4722 1 473 . 1 1 43 43 ILE HD11 H 1 1.20 0.04 . 1 . . . . . . . . . 4722 1 474 . 1 1 43 43 ILE HD12 H 1 1.20 0.04 . 1 . . . . . . . . . 4722 1 475 . 1 1 43 43 ILE HD13 H 1 1.20 0.04 . 1 . . . . . . . . . 4722 1 476 . 1 1 43 43 ILE CA C 13 68.7 0.5 . 1 . . . . . . . . . 4722 1 477 . 1 1 43 43 ILE CB C 13 35.2 0.5 . 1 . . . . . . . . . 4722 1 478 . 1 1 43 43 ILE CG1 C 13 31.8 0.5 . 2 . . . . . . . . . 4722 1 479 . 1 1 43 43 ILE CG2 C 13 18.8 0.5 . 2 . . . . . . . . . 4722 1 480 . 1 1 43 43 ILE CD1 C 13 13.8 0.5 . 1 . . . . . . . . . 4722 1 481 . 1 1 43 43 ILE N N 15 120.7 0.2 . 1 . . . . . . . . . 4722 1 482 . 1 1 44 44 PRO HA H 1 3.94 0.04 . 1 . . . . . . . . . 4722 1 483 . 1 1 44 44 PRO HB2 H 1 2.26 0.04 . 1 . . . . . . . . . 4722 1 484 . 1 1 44 44 PRO HB3 H 1 2.26 0.04 . 1 . . . . . . . . . 4722 1 485 . 1 1 44 44 PRO HG2 H 1 1.79 0.04 . 2 . . . . . . . . . 4722 1 486 . 1 1 44 44 PRO HG3 H 1 1.57 0.04 . 2 . . . . . . . . . 4722 1 487 . 1 1 44 44 PRO HD2 H 1 3.72 0.04 . 2 . . . . . . . . . 4722 1 488 . 1 1 44 44 PRO HD3 H 1 3.87 0.04 . 2 . . . . . . . . . 4722 1 489 . 1 1 44 44 PRO C C 13 171.3 0.2 . 1 . . . . . . . . . 4722 1 490 . 1 1 44 44 PRO CA C 13 67.4 0.5 . 1 . . . . . . . . . 4722 1 491 . 1 1 44 44 PRO CB C 13 32.0 0.5 . 1 . . . . . . . . . 4722 1 492 . 1 1 44 44 PRO CD C 13 49.6 0.5 . 1 . . . . . . . . . 4722 1 493 . 1 1 45 45 GLN H H 1 7.40 0.01 . 1 . . . . . . . . . 4722 1 494 . 1 1 45 45 GLN HA H 1 4.20 0.04 . 1 . . . . . . . . . 4722 1 495 . 1 1 45 45 GLN HB2 H 1 2.64 0.04 . 2 . . . . . . . . . 4722 1 496 . 1 1 45 45 GLN HB3 H 1 1.92 0.04 . 2 . . . . . . . . . 4722 1 497 . 1 1 45 45 GLN HG2 H 1 2.52 0.04 . 2 . . . . . . . . . 4722 1 498 . 1 1 45 45 GLN HG3 H 1 2.41 0.04 . 2 . . . . . . . . . 4722 1 499 . 1 1 45 45 GLN HE21 H 1 6.85 0.04 . 2 . . . . . . . . . 4722 1 500 . 1 1 45 45 GLN HE22 H 1 7.59 0.04 . 2 . . . . . . . . . 4722 1 501 . 1 1 45 45 GLN C C 13 172.0 0.2 . 9 . . . . . . . . . 4722 1 502 . 1 1 45 45 GLN CA C 13 59.7 0.5 . 1 . . . . . . . . . 4722 1 503 . 1 1 45 45 GLN CB C 13 30.9 0.5 . 1 . . . . . . . . . 4722 1 504 . 1 1 45 45 GLN CG C 13 35.8 0.5 . 1 . . . . . . . . . 4722 1 505 . 1 1 45 45 GLN N N 15 117.1 0.2 . 1 . . . . . . . . . 4722 1 506 . 1 1 45 45 GLN NE2 N 15 112.8 0.2 . 1 . . . . . . . . . 4722 1 507 . 1 1 46 46 ILE H H 1 8.88 0.01 . 1 . . . . . . . . . 4722 1 508 . 1 1 46 46 ILE HA H 1 3.50 0.04 . 1 . . . . . . . . . 4722 1 509 . 1 1 46 46 ILE HB H 1 2.25 0.04 . 1 . . . . . . . . . 4722 1 510 . 1 1 46 46 ILE HG12 H 1 1.17 0.04 . 1 . . . . . . . . . 4722 1 511 . 1 1 46 46 ILE HG13 H 1 1.17 0.04 . 1 . . . . . . . . . 4722 1 512 . 1 1 46 46 ILE HG21 H 1 1.03 0.04 . 1 . . . . . . . . . 4722 1 513 . 1 1 46 46 ILE HG22 H 1 1.03 0.04 . 1 . . . . . . . . . 4722 1 514 . 1 1 46 46 ILE HG23 H 1 1.03 0.04 . 1 . . . . . . . . . 4722 1 515 . 1 1 46 46 ILE HD11 H 1 0.89 0.04 . 1 . . . . . . . . . 4722 1 516 . 1 1 46 46 ILE HD12 H 1 0.89 0.04 . 1 . . . . . . . . . 4722 1 517 . 1 1 46 46 ILE HD13 H 1 0.89 0.04 . 1 . . . . . . . . . 4722 1 518 . 1 1 46 46 ILE C C 13 171.9 0.2 . 1 . . . . . . . . . 4722 1 519 . 1 1 46 46 ILE CA C 13 67.2 0.5 . 1 . . . . . . . . . 4722 1 520 . 1 1 46 46 ILE CB C 13 39.1 0.5 . 1 . . . . . . . . . 4722 1 521 . 1 1 46 46 ILE CG2 C 13 19.6 0.5 . 1 . . . . . . . . . 4722 1 522 . 1 1 46 46 ILE CD1 C 13 15.5 0.5 . 1 . . . . . . . . . 4722 1 523 . 1 1 46 46 ILE N N 15 122.6 0.2 . 1 . . . . . . . . . 4722 1 524 . 1 1 47 47 PHE H H 1 8.67 0.01 . 1 . . . . . . . . . 4722 1 525 . 1 1 47 47 PHE HA H 1 3.62 0.04 . 1 . . . . . . . . . 4722 1 526 . 1 1 47 47 PHE HB2 H 1 3.22 0.04 . 2 . . . . . . . . . 4722 1 527 . 1 1 47 47 PHE HB3 H 1 2.98 0.04 . 2 . . . . . . . . . 4722 1 528 . 1 1 47 47 PHE HD1 H 1 7.21 0.04 . 1 . . . . . . . . . 4722 1 529 . 1 1 47 47 PHE HD2 H 1 7.21 0.04 . 1 . . . . . . . . . 4722 1 530 . 1 1 47 47 PHE C C 13 172.6 0.2 . 1 . . . . . . . . . 4722 1 531 . 1 1 47 47 PHE CA C 13 63.2 0.5 . 1 . . . . . . . . . 4722 1 532 . 1 1 47 47 PHE CB C 13 38.8 0.5 . 1 . . . . . . . . . 4722 1 533 . 1 1 47 47 PHE N N 15 121.3 0.2 . 1 . . . . . . . . . 4722 1 534 . 1 1 48 48 GLU H H 1 8.09 0.01 . 1 . . . . . . . . . 4722 1 535 . 1 1 48 48 GLU HA H 1 4.09 0.04 . 1 . . . . . . . . . 4722 1 536 . 1 1 48 48 GLU HB2 H 1 2.15 0.04 . 1 . . . . . . . . . 4722 1 537 . 1 1 48 48 GLU HB3 H 1 2.15 0.04 . 1 . . . . . . . . . 4722 1 538 . 1 1 48 48 GLU HG2 H 1 2.36 0.04 . 1 . . . . . . . . . 4722 1 539 . 1 1 48 48 GLU HG3 H 1 2.36 0.04 . 1 . . . . . . . . . 4722 1 540 . 1 1 48 48 GLU C C 13 172.7 0.2 . 1 . . . . . . . . . 4722 1 541 . 1 1 48 48 GLU CA C 13 59.5 0.5 . 1 . . . . . . . . . 4722 1 542 . 1 1 48 48 GLU CB C 13 30.9 0.5 . 1 . . . . . . . . . 4722 1 543 . 1 1 48 48 GLU CG C 13 37.4 0.5 . 1 . . . . . . . . . 4722 1 544 . 1 1 48 48 GLU N N 15 118.1 0.2 . 1 . . . . . . . . . 4722 1 545 . 1 1 49 49 LYS H H 1 8.63 0.01 . 1 . . . . . . . . . 4722 1 546 . 1 1 49 49 LYS HA H 1 4.25 0.04 . 1 . . . . . . . . . 4722 1 547 . 1 1 49 49 LYS HB2 H 1 1.81 0.04 . 1 . . . . . . . . . 4722 1 548 . 1 1 49 49 LYS HB3 H 1 1.81 0.04 . 1 . . . . . . . . . 4722 1 549 . 1 1 49 49 LYS HG2 H 1 1.51 0.04 . 2 . . . . . . . . . 4722 1 550 . 1 1 49 49 LYS HG3 H 1 1.64 0.04 . 2 . . . . . . . . . 4722 1 551 . 1 1 49 49 LYS HE2 H 1 2.99 0.04 . 2 . . . . . . . . . 4722 1 552 . 1 1 49 49 LYS HE3 H 1 3.05 0.04 . 2 . . . . . . . . . 4722 1 553 . 1 1 49 49 LYS C C 13 172.7 0.2 . 1 . . . . . . . . . 4722 1 554 . 1 1 49 49 LYS CA C 13 59.1 0.5 . 1 . . . . . . . . . 4722 1 555 . 1 1 49 49 LYS CB C 13 34.3 0.5 . 1 . . . . . . . . . 4722 1 556 . 1 1 49 49 LYS CG C 13 26.1 0.5 . 1 . . . . . . . . . 4722 1 557 . 1 1 49 49 LYS CE C 13 43.1 0.5 . 1 . . . . . . . . . 4722 1 558 . 1 1 49 49 LYS N N 15 117.1 0.2 . 1 . . . . . . . . . 4722 1 559 . 1 1 50 50 LYS H H 1 8.30 0.01 . 1 . . . . . . . . . 4722 1 560 . 1 1 50 50 LYS HA H 1 4.44 0.04 . 1 . . . . . . . . . 4722 1 561 . 1 1 50 50 LYS HB2 H 1 1.20 0.04 . 2 . . . . . . . . . 4722 1 562 . 1 1 50 50 LYS HB3 H 1 1.62 0.04 . 2 . . . . . . . . . 4722 1 563 . 1 1 50 50 LYS HG2 H 1 0.78 0.04 . 2 . . . . . . . . . 4722 1 564 . 1 1 50 50 LYS HG3 H 1 0.99 0.04 . 2 . . . . . . . . . 4722 1 565 . 1 1 50 50 LYS HD2 H 1 1.01 0.04 . 1 . . . . . . . . . 4722 1 566 . 1 1 50 50 LYS HD3 H 1 1.01 0.04 . 1 . . . . . . . . . 4722 1 567 . 1 1 50 50 LYS HE2 H 1 2.53 0.04 . 1 . . . . . . . . . 4722 1 568 . 1 1 50 50 LYS HE3 H 1 2.53 0.04 . 1 . . . . . . . . . 4722 1 569 . 1 1 50 50 LYS C C 13 173.3 0.2 . 1 . . . . . . . . . 4722 1 570 . 1 1 50 50 LYS CA C 13 56.6 0.5 . 1 . . . . . . . . . 4722 1 571 . 1 1 50 50 LYS CB C 13 35.2 0.5 . 1 . . . . . . . . . 4722 1 572 . 1 1 50 50 LYS CG C 13 30.0 0.5 . 1 . . . . . . . . . 4722 1 573 . 1 1 50 50 LYS CD C 13 26.1 0.5 . 1 . . . . . . . . . 4722 1 574 . 1 1 50 50 LYS CE C 13 43.1 0.5 . 1 . . . . . . . . . 4722 1 575 . 1 1 50 50 LYS N N 15 117.1 0.2 . 1 . . . . . . . . . 4722 1 576 . 1 1 51 51 GLY H H 1 7.66 0.01 . 1 . . . . . . . . . 4722 1 577 . 1 1 51 51 GLY HA2 H 1 4.48 0.04 . 2 . . . . . . . . . 4722 1 578 . 1 1 51 51 GLY HA3 H 1 4.10 0.04 . 2 . . . . . . . . . 4722 1 579 . 1 1 51 51 GLY C C 13 173.9 0.2 . 1 . . . . . . . . . 4722 1 580 . 1 1 51 51 GLY CA C 13 44.8 0.5 . 1 . . . . . . . . . 4722 1 581 . 1 1 51 51 GLY N N 15 110.3 0.2 . 1 . . . . . . . . . 4722 1 582 . 1 1 52 52 GLU H H 1 8.58 0.01 . 1 . . . . . . . . . 4722 1 583 . 1 1 52 52 GLU C C 13 172.9 0.2 . 1 . . . . . . . . . 4722 1 584 . 1 1 52 52 GLU CA C 13 60.0 0.5 . 1 . . . . . . . . . 4722 1 585 . 1 1 52 52 GLU CB C 13 29.8 0.5 . 1 . . . . . . . . . 4722 1 586 . 1 1 52 52 GLU N N 15 122.5 0.2 . 1 . . . . . . . . . 4722 1 587 . 1 1 53 53 ALA H H 1 8.61 0.01 . 1 . . . . . . . . . 4722 1 588 . 1 1 53 53 ALA HA H 1 4.02 0.04 . 1 . . . . . . . . . 4722 1 589 . 1 1 53 53 ALA HB1 H 1 1.43 0.04 . 1 . . . . . . . . . 4722 1 590 . 1 1 53 53 ALA HB2 H 1 1.43 0.04 . 1 . . . . . . . . . 4722 1 591 . 1 1 53 53 ALA HB3 H 1 1.43 0.04 . 1 . . . . . . . . . 4722 1 592 . 1 1 53 53 ALA C C 13 170.0 0.2 . 1 . . . . . . . . . 4722 1 593 . 1 1 53 53 ALA CA C 13 56.1 0.5 . 1 . . . . . . . . . 4722 1 594 . 1 1 53 53 ALA CB C 13 17.5 0.5 . 1 . . . . . . . . . 4722 1 595 . 1 1 53 53 ALA N N 15 121.6 0.2 . 1 . . . . . . . . . 4722 1 596 . 1 1 54 54 TYR H H 1 7.90 0.01 . 1 . . . . . . . . . 4722 1 597 . 1 1 54 54 TYR HA H 1 4.02 0.04 . 1 . . . . . . . . . 4722 1 598 . 1 1 54 54 TYR HB2 H 1 2.94 0.04 . 1 . . . . . . . . . 4722 1 599 . 1 1 54 54 TYR HB3 H 1 2.94 0.04 . 1 . . . . . . . . . 4722 1 600 . 1 1 54 54 TYR HD1 H 1 6.74 0.04 . 1 . . . . . . . . . 4722 1 601 . 1 1 54 54 TYR HD2 H 1 6.74 0.04 . 1 . . . . . . . . . 4722 1 602 . 1 1 54 54 TYR HE1 H 1 6.87 0.04 . 1 . . . . . . . . . 4722 1 603 . 1 1 54 54 TYR HE2 H 1 6.87 0.04 . 1 . . . . . . . . . 4722 1 604 . 1 1 54 54 TYR C C 13 173.1 0.2 . 1 . . . . . . . . . 4722 1 605 . 1 1 54 54 TYR CA C 13 61.5 0.5 . 1 . . . . . . . . . 4722 1 606 . 1 1 54 54 TYR CB C 13 38.7 0.5 . 1 . . . . . . . . . 4722 1 607 . 1 1 54 54 TYR CD1 C 13 131.5 0.5 . 1 . . . . . . . . . 4722 1 608 . 1 1 54 54 TYR CD2 C 13 131.5 0.5 . 1 . . . . . . . . . 4722 1 609 . 1 1 54 54 TYR CE1 C 13 119.4 0.5 . 9 . . . . . . . . . 4722 1 610 . 1 1 54 54 TYR CE2 C 13 119.4 0.5 . 9 . . . . . . . . . 4722 1 611 . 1 1 54 54 TYR N N 15 120.8 0.2 . 1 . . . . . . . . . 4722 1 612 . 1 1 55 55 PHE H H 1 7.52 0.01 . 1 . . . . . . . . . 4722 1 613 . 1 1 55 55 PHE HA H 1 3.85 0.04 . 1 . . . . . . . . . 4722 1 614 . 1 1 55 55 PHE HB2 H 1 2.79 0.04 . 2 . . . . . . . . . 4722 1 615 . 1 1 55 55 PHE HB3 H 1 3.04 0.04 . 2 . . . . . . . . . 4722 1 616 . 1 1 55 55 PHE HD1 H 1 6.96 0.04 . 1 . . . . . . . . . 4722 1 617 . 1 1 55 55 PHE HD2 H 1 6.96 0.04 . 1 . . . . . . . . . 4722 1 618 . 1 1 55 55 PHE HE1 H 1 7.44 0.04 . 1 . . . . . . . . . 4722 1 619 . 1 1 55 55 PHE HE2 H 1 7.44 0.04 . 1 . . . . . . . . . 4722 1 620 . 1 1 55 55 PHE HZ H 1 7.66 0.04 . 1 . . . . . . . . . 4722 1 621 . 1 1 55 55 PHE C C 13 174.9 0.2 . 1 . . . . . . . . . 4722 1 622 . 1 1 55 55 PHE CA C 13 62.5 0.5 . 1 . . . . . . . . . 4722 1 623 . 1 1 55 55 PHE CB C 13 39.2 0.5 . 1 . . . . . . . . . 4722 1 624 . 1 1 55 55 PHE CE1 C 13 133.3 0.5 . 1 . . . . . . . . . 4722 1 625 . 1 1 55 55 PHE CE2 C 13 133.3 0.5 . 1 . . . . . . . . . 4722 1 626 . 1 1 55 55 PHE CZ C 13 131.7 0.5 . 1 . . . . . . . . . 4722 1 627 . 1 1 55 55 PHE N N 15 121.2 0.2 . 1 . . . . . . . . . 4722 1 628 . 1 1 56 56 ARG H H 1 8.76 0.01 . 1 . . . . . . . . . 4722 1 629 . 1 1 56 56 ARG HA H 1 4.31 0.04 . 1 . . . . . . . . . 4722 1 630 . 1 1 56 56 ARG HB2 H 1 1.95 0.04 . 1 . . . . . . . . . 4722 1 631 . 1 1 56 56 ARG HB3 H 1 1.95 0.04 . 1 . . . . . . . . . 4722 1 632 . 1 1 56 56 ARG C C 13 175.7 0.2 . 1 . . . . . . . . . 4722 1 633 . 1 1 56 56 ARG CA C 13 56.7 0.5 . 1 . . . . . . . . . 4722 1 634 . 1 1 56 56 ARG CB C 13 28.7 0.5 . 1 . . . . . . . . . 4722 1 635 . 1 1 56 56 ARG N N 15 116.7 0.2 . 1 . . . . . . . . . 4722 1 636 . 1 1 57 57 LYS H H 1 7.46 0.01 . 1 . . . . . . . . . 4722 1 637 . 1 1 57 57 LYS HA H 1 4.08 0.04 . 1 . . . . . . . . . 4722 1 638 . 1 1 57 57 LYS HB2 H 1 1.79 0.04 . 1 . . . . . . . . . 4722 1 639 . 1 1 57 57 LYS HB3 H 1 1.79 0.04 . 1 . . . . . . . . . 4722 1 640 . 1 1 57 57 LYS HG2 H 1 1.27 0.04 . 2 . . . . . . . . . 4722 1 641 . 1 1 57 57 LYS HG3 H 1 1.48 0.04 . 2 . . . . . . . . . 4722 1 642 . 1 1 57 57 LYS HD2 H 1 1.62 0.04 . 1 . . . . . . . . . 4722 1 643 . 1 1 57 57 LYS HD3 H 1 1.62 0.04 . 1 . . . . . . . . . 4722 1 644 . 1 1 57 57 LYS HE2 H 1 2.91 0.04 . 1 . . . . . . . . . 4722 1 645 . 1 1 57 57 LYS HE3 H 1 2.91 0.04 . 1 . . . . . . . . . 4722 1 646 . 1 1 57 57 LYS C C 13 172.2 0.2 . 1 . . . . . . . . . 4722 1 647 . 1 1 57 57 LYS CA C 13 59.3 0.5 . 1 . . . . . . . . . 4722 1 648 . 1 1 57 57 LYS CB C 13 33.2 0.5 . 1 . . . . . . . . . 4722 1 649 . 1 1 57 57 LYS CG C 13 25.3 0.5 . 1 . . . . . . . . . 4722 1 650 . 1 1 57 57 LYS CD C 13 30.1 0.5 . 1 . . . . . . . . . 4722 1 651 . 1 1 57 57 LYS CE C 13 43.1 0.5 . 1 . . . . . . . . . 4722 1 652 . 1 1 57 57 LYS N N 15 121.3 0.2 . 1 . . . . . . . . . 4722 1 653 . 1 1 58 58 LEU H H 1 7.78 0.01 . 1 . . . . . . . . . 4722 1 654 . 1 1 58 58 LEU HA H 1 3.94 0.04 . 1 . . . . . . . . . 4722 1 655 . 1 1 58 58 LEU HB2 H 1 1.11 0.04 . 2 . . . . . . . . . 4722 1 656 . 1 1 58 58 LEU HB3 H 1 1.54 0.04 . 2 . . . . . . . . . 4722 1 657 . 1 1 58 58 LEU HG H 1 1.39 0.04 . 1 . . . . . . . . . 4722 1 658 . 1 1 58 58 LEU HD11 H 1 0.86 0.04 . 2 . . . . . . . . . 4722 1 659 . 1 1 58 58 LEU HD12 H 1 0.86 0.04 . 2 . . . . . . . . . 4722 1 660 . 1 1 58 58 LEU HD13 H 1 0.86 0.04 . 2 . . . . . . . . . 4722 1 661 . 1 1 58 58 LEU HD21 H 1 0.96 0.04 . 2 . . . . . . . . . 4722 1 662 . 1 1 58 58 LEU HD22 H 1 0.96 0.04 . 2 . . . . . . . . . 4722 1 663 . 1 1 58 58 LEU HD23 H 1 0.96 0.04 . 2 . . . . . . . . . 4722 1 664 . 1 1 58 58 LEU C C 13 172.1 0.2 . 1 . . . . . . . . . 4722 1 665 . 1 1 58 58 LEU CA C 13 57.6 0.5 . 1 . . . . . . . . . 4722 1 666 . 1 1 58 58 LEU CB C 13 42.2 0.5 . 1 . . . . . . . . . 4722 1 667 . 1 1 58 58 LEU CG C 13 27.7 0.5 . 1 . . . . . . . . . 4722 1 668 . 1 1 58 58 LEU CD1 C 13 24.4 0.5 . 2 . . . . . . . . . 4722 1 669 . 1 1 58 58 LEU CD2 C 13 28.5 0.5 . 2 . . . . . . . . . 4722 1 670 . 1 1 58 58 LEU N N 15 122.9 0.2 . 1 . . . . . . . . . 4722 1 671 . 1 1 59 59 GLU H H 1 8.75 0.01 . 1 . . . . . . . . . 4722 1 672 . 1 1 59 59 GLU HA H 1 3.66 0.04 . 1 . . . . . . . . . 4722 1 673 . 1 1 59 59 GLU HB2 H 1 1.16 0.04 . 1 . . . . . . . . . 4722 1 674 . 1 1 59 59 GLU HB3 H 1 1.16 0.04 . 1 . . . . . . . . . 4722 1 675 . 1 1 59 59 GLU HG2 H 1 1.87 0.04 . 2 . . . . . . . . . 4722 1 676 . 1 1 59 59 GLU HG3 H 1 2.44 0.04 . 2 . . . . . . . . . 4722 1 677 . 1 1 59 59 GLU C C 13 173.5 0.2 . 1 . . . . . . . . . 4722 1 678 . 1 1 59 59 GLU CA C 13 59.5 0.5 . 1 . . . . . . . . . 4722 1 679 . 1 1 59 59 GLU CB C 13 27.2 0.5 . 1 . . . . . . . . . 4722 1 680 . 1 1 59 59 GLU CG C 13 35.8 0.5 . 1 . . . . . . . . . 4722 1 681 . 1 1 59 59 GLU N N 15 116.9 0.2 . 1 . . . . . . . . . 4722 1 682 . 1 1 60 60 PHE H H 1 6.71 0.01 . 1 . . . . . . . . . 4722 1 683 . 1 1 60 60 PHE HA H 1 4.59 0.04 . 1 . . . . . . . . . 4722 1 684 . 1 1 60 60 PHE HB2 H 1 3.07 0.04 . 2 . . . . . . . . . 4722 1 685 . 1 1 60 60 PHE HB3 H 1 3.28 0.04 . 2 . . . . . . . . . 4722 1 686 . 1 1 60 60 PHE HD1 H 1 7.32 0.04 . 1 . . . . . . . . . 4722 1 687 . 1 1 60 60 PHE HD2 H 1 7.32 0.04 . 1 . . . . . . . . . 4722 1 688 . 1 1 60 60 PHE C C 13 173.7 0.2 . 1 . . . . . . . . . 4722 1 689 . 1 1 60 60 PHE CA C 13 57.6 0.5 . 1 . . . . . . . . . 4722 1 690 . 1 1 60 60 PHE CB C 13 38.2 0.5 . 1 . . . . . . . . . 4722 1 691 . 1 1 60 60 PHE N N 15 121.0 0.2 . 1 . . . . . . . . . 4722 1 692 . 1 1 61 61 GLU H H 1 7.84 0.01 . 1 . . . . . . . . . 4722 1 693 . 1 1 61 61 GLU HA H 1 3.54 0.04 . 1 . . . . . . . . . 4722 1 694 . 1 1 61 61 GLU HB2 H 1 2.10 0.04 . 1 . . . . . . . . . 4722 1 695 . 1 1 61 61 GLU HB3 H 1 2.10 0.04 . 1 . . . . . . . . . 4722 1 696 . 1 1 61 61 GLU HG2 H 1 2.10 0.04 . 2 . . . . . . . . . 4722 1 697 . 1 1 61 61 GLU HG3 H 1 2.29 0.04 . 2 . . . . . . . . . 4722 1 698 . 1 1 61 61 GLU C C 13 171.0 0.2 . 1 . . . . . . . . . 4722 1 699 . 1 1 61 61 GLU CA C 13 61.0 0.5 . 1 . . . . . . . . . 4722 1 700 . 1 1 61 61 GLU CB C 13 36.6 0.5 . 1 . . . . . . . . . 4722 1 701 . 1 1 61 61 GLU CG C 13 29.3 0.5 . 1 . . . . . . . . . 4722 1 702 . 1 1 61 61 GLU N N 15 121.3 0.2 . 1 . . . . . . . . . 4722 1 703 . 1 1 62 62 VAL H H 1 8.67 0.01 . 1 . . . . . . . . . 4722 1 704 . 1 1 62 62 VAL HA H 1 3.53 0.04 . 1 . . . . . . . . . 4722 1 705 . 1 1 62 62 VAL HB H 1 1.98 0.04 . 1 . . . . . . . . . 4722 1 706 . 1 1 62 62 VAL HG11 H 1 0.95 0.04 . 1 . . . . . . . . . 4722 1 707 . 1 1 62 62 VAL HG12 H 1 0.95 0.04 . 1 . . . . . . . . . 4722 1 708 . 1 1 62 62 VAL HG13 H 1 0.95 0.04 . 1 . . . . . . . . . 4722 1 709 . 1 1 62 62 VAL HG21 H 1 0.95 0.04 . 1 . . . . . . . . . 4722 1 710 . 1 1 62 62 VAL HG22 H 1 0.95 0.04 . 1 . . . . . . . . . 4722 1 711 . 1 1 62 62 VAL HG23 H 1 0.95 0.04 . 1 . . . . . . . . . 4722 1 712 . 1 1 62 62 VAL C C 13 173.3 0.2 . 1 . . . . . . . . . 4722 1 713 . 1 1 62 62 VAL CA C 13 66.9 0.5 . 1 . . . . . . . . . 4722 1 714 . 1 1 62 62 VAL CB C 13 31.0 0.5 . 1 . . . . . . . . . 4722 1 715 . 1 1 62 62 VAL CG1 C 13 23.6 0.5 . 2 . . . . . . . . . 4722 1 716 . 1 1 62 62 VAL CG2 C 13 25.3 0.5 . 2 . . . . . . . . . 4722 1 717 . 1 1 62 62 VAL N N 15 120.6 0.2 . 1 . . . . . . . . . 4722 1 718 . 1 1 63 63 LEU H H 1 7.97 0.01 . 1 . . . . . . . . . 4722 1 719 . 1 1 63 63 LEU HA H 1 3.89 0.04 . 1 . . . . . . . . . 4722 1 720 . 1 1 63 63 LEU HB2 H 1 2.44 0.04 . 1 . . . . . . . . . 4722 1 721 . 1 1 63 63 LEU HB3 H 1 2.44 0.04 . 1 . . . . . . . . . 4722 1 722 . 1 1 63 63 LEU HG H 1 1.64 0.04 . 1 . . . . . . . . . 4722 1 723 . 1 1 63 63 LEU HD11 H 1 1.05 0.04 . 2 . . . . . . . . . 4722 1 724 . 1 1 63 63 LEU HD12 H 1 1.05 0.04 . 2 . . . . . . . . . 4722 1 725 . 1 1 63 63 LEU HD13 H 1 1.05 0.04 . 2 . . . . . . . . . 4722 1 726 . 1 1 63 63 LEU HD21 H 1 1.16 0.04 . 2 . . . . . . . . . 4722 1 727 . 1 1 63 63 LEU HD22 H 1 1.16 0.04 . 2 . . . . . . . . . 4722 1 728 . 1 1 63 63 LEU HD23 H 1 1.16 0.04 . 2 . . . . . . . . . 4722 1 729 . 1 1 63 63 LEU C C 13 170.7 0.2 . 1 . . . . . . . . . 4722 1 730 . 1 1 63 63 LEU CA C 13 59.1 0.5 . 1 . . . . . . . . . 4722 1 731 . 1 1 63 63 LEU CB C 13 42.1 0.5 . 1 . . . . . . . . . 4722 1 732 . 1 1 63 63 LEU CG C 13 27.7 0.5 . 1 . . . . . . . . . 4722 1 733 . 1 1 63 63 LEU CD1 C 13 27.7 0.5 . 2 . . . . . . . . . 4722 1 734 . 1 1 63 63 LEU CD2 C 13 25.3 0.5 . 2 . . . . . . . . . 4722 1 735 . 1 1 63 63 LEU N N 15 121.4 0.2 . 1 . . . . . . . . . 4722 1 736 . 1 1 64 64 LYS H H 1 8.14 0.01 . 1 . . . . . . . . . 4722 1 737 . 1 1 64 64 LYS HA H 1 3.72 0.04 . 1 . . . . . . . . . 4722 1 738 . 1 1 64 64 LYS HB2 H 1 1.50 0.04 . 2 . . . . . . . . . 4722 1 739 . 1 1 64 64 LYS HB3 H 1 1.60 0.04 . 2 . . . . . . . . . 4722 1 740 . 1 1 64 64 LYS HG2 H 1 0.72 0.04 . 2 . . . . . . . . . 4722 1 741 . 1 1 64 64 LYS HG3 H 1 -0.07 0.04 . 2 . . . . . . . . . 4722 1 742 . 1 1 64 64 LYS HD2 H 1 0.91 0.04 . 1 . . . . . . . . . 4722 1 743 . 1 1 64 64 LYS HD3 H 1 0.91 0.04 . 1 . . . . . . . . . 4722 1 744 . 1 1 64 64 LYS HE2 H 1 1.79 0.04 . 1 . . . . . . . . . 4722 1 745 . 1 1 64 64 LYS HE3 H 1 1.79 0.04 . 1 . . . . . . . . . 4722 1 746 . 1 1 64 64 LYS C C 13 171.6 0.2 . 1 . . . . . . . . . 4722 1 747 . 1 1 64 64 LYS CA C 13 61.0 0.5 . 1 . . . . . . . . . 4722 1 748 . 1 1 64 64 LYS CB C 13 31.9 0.5 . 1 . . . . . . . . . 4722 1 749 . 1 1 64 64 LYS CG C 13 25.3 0.5 . 1 . . . . . . . . . 4722 1 750 . 1 1 64 64 LYS CD C 13 30.1 0.5 . 1 . . . . . . . . . 4722 1 751 . 1 1 64 64 LYS CE C 13 42.3 0.5 . 1 . . . . . . . . . 4722 1 752 . 1 1 64 64 LYS N N 15 122.1 0.2 . 1 . . . . . . . . . 4722 1 753 . 1 1 65 65 ASP H H 1 7.89 0.01 . 1 . . . . . . . . . 4722 1 754 . 1 1 65 65 ASP HA H 1 4.25 0.04 . 1 . . . . . . . . . 4722 1 755 . 1 1 65 65 ASP HB2 H 1 2.56 0.04 . 2 . . . . . . . . . 4722 1 756 . 1 1 65 65 ASP HB3 H 1 2.84 0.04 . 2 . . . . . . . . . 4722 1 757 . 1 1 65 65 ASP C C 13 170.4 0.2 . 1 . . . . . . . . . 4722 1 758 . 1 1 65 65 ASP CA C 13 58.0 0.5 . 1 . . . . . . . . . 4722 1 759 . 1 1 65 65 ASP CB C 13 41.3 0.5 . 1 . . . . . . . . . 4722 1 760 . 1 1 65 65 ASP N N 15 122.5 0.2 . 1 . . . . . . . . . 4722 1 761 . 1 1 66 66 LEU H H 1 8.65 0.01 . 1 . . . . . . . . . 4722 1 762 . 1 1 66 66 LEU HA H 1 3.78 0.04 . 1 . . . . . . . . . 4722 1 763 . 1 1 66 66 LEU HB2 H 1 1.02 0.04 . 2 . . . . . . . . . 4722 1 764 . 1 1 66 66 LEU HB3 H 1 1.78 0.04 . 2 . . . . . . . . . 4722 1 765 . 1 1 66 66 LEU HG H 1 1.84 0.04 . 1 . . . . . . . . . 4722 1 766 . 1 1 66 66 LEU HD11 H 1 0.59 0.04 . 2 . . . . . . . . . 4722 1 767 . 1 1 66 66 LEU HD12 H 1 0.59 0.04 . 2 . . . . . . . . . 4722 1 768 . 1 1 66 66 LEU HD13 H 1 0.59 0.04 . 2 . . . . . . . . . 4722 1 769 . 1 1 66 66 LEU HD21 H 1 0.18 0.04 . 2 . . . . . . . . . 4722 1 770 . 1 1 66 66 LEU HD22 H 1 0.18 0.04 . 2 . . . . . . . . . 4722 1 771 . 1 1 66 66 LEU HD23 H 1 0.18 0.04 . 2 . . . . . . . . . 4722 1 772 . 1 1 66 66 LEU C C 13 172.7 0.2 . 1 . . . . . . . . . 4722 1 773 . 1 1 66 66 LEU CA C 13 57.3 0.5 . 1 . . . . . . . . . 4722 1 774 . 1 1 66 66 LEU CB C 13 43.2 0.5 . 1 . . . . . . . . . 4722 1 775 . 1 1 66 66 LEU CG C 13 26.9 0.5 . 1 . . . . . . . . . 4722 1 776 . 1 1 66 66 LEU CD1 C 13 27.7 0.5 . 2 . . . . . . . . . 4722 1 777 . 1 1 66 66 LEU CD2 C 13 22.0 0.5 . 2 . . . . . . . . . 4722 1 778 . 1 1 66 66 LEU N N 15 120.1 0.2 . 1 . . . . . . . . . 4722 1 779 . 1 1 67 67 SER H H 1 7.47 0.01 . 1 . . . . . . . . . 4722 1 780 . 1 1 67 67 SER HA H 1 4.19 0.04 . 1 . . . . . . . . . 4722 1 781 . 1 1 67 67 SER HB2 H 1 4.43 0.04 . 1 . . . . . . . . . 4722 1 782 . 1 1 67 67 SER HB3 H 1 4.43 0.04 . 1 . . . . . . . . . 4722 1 783 . 1 1 67 67 SER C C 13 171.7 0.2 . 9 . . . . . . . . . 4722 1 784 . 1 1 67 67 SER CA C 13 61.0 0.4 . 1 . . . . . . . . . 4722 1 785 . 1 1 67 67 SER CB C 13 63.4 0.4 . 1 . . . . . . . . . 4722 1 786 . 1 1 67 67 SER N N 15 110.3 0.2 . 1 . . . . . . . . . 4722 1 787 . 1 1 68 68 GLU H H 1 7.38 0.01 . 1 . . . . . . . . . 4722 1 788 . 1 1 68 68 GLU HA H 1 4.10 0.04 . 1 . . . . . . . . . 4722 1 789 . 1 1 68 68 GLU HB2 H 1 2.04 0.04 . 1 . . . . . . . . . 4722 1 790 . 1 1 68 68 GLU HB3 H 1 2.04 0.04 . 1 . . . . . . . . . 4722 1 791 . 1 1 68 68 GLU HG2 H 1 2.22 0.04 . 2 . . . . . . . . . 4722 1 792 . 1 1 68 68 GLU HG3 H 1 2.39 0.04 . 2 . . . . . . . . . 4722 1 793 . 1 1 68 68 GLU C C 13 172.5 0.2 . 1 . . . . . . . . . 4722 1 794 . 1 1 68 68 GLU CA C 13 58.6 0.5 . 1 . . . . . . . . . 4722 1 795 . 1 1 68 68 GLU CB C 13 30.1 0.5 . 1 . . . . . . . . . 4722 1 796 . 1 1 68 68 GLU CG C 13 36.6 0.5 . 1 . . . . . . . . . 4722 1 797 . 1 1 68 68 GLU N N 15 120.5 0.2 . 1 . . . . . . . . . 4722 1 798 . 1 1 69 69 LYS H H 1 7.33 0.01 . 1 . . . . . . . . . 4722 1 799 . 1 1 69 69 LYS HA H 1 4.19 0.04 . 1 . . . . . . . . . 4722 1 800 . 1 1 69 69 LYS HB2 H 1 1.80 0.04 . 1 . . . . . . . . . 4722 1 801 . 1 1 69 69 LYS HB3 H 1 1.80 0.04 . 1 . . . . . . . . . 4722 1 802 . 1 1 69 69 LYS HG2 H 1 1.50 0.04 . 1 . . . . . . . . . 4722 1 803 . 1 1 69 69 LYS HG3 H 1 1.50 0.04 . 1 . . . . . . . . . 4722 1 804 . 1 1 69 69 LYS HD2 H 1 1.70 0.04 . 2 . . . . . . . . . 4722 1 805 . 1 1 69 69 LYS HD3 H 1 1.87 0.04 . 2 . . . . . . . . . 4722 1 806 . 1 1 69 69 LYS HE2 H 1 2.88 0.04 . 1 . . . . . . . . . 4722 1 807 . 1 1 69 69 LYS HE3 H 1 2.88 0.04 . 1 . . . . . . . . . 4722 1 808 . 1 1 69 69 LYS C C 13 174.4 0.2 . 1 . . . . . . . . . 4722 1 809 . 1 1 69 69 LYS CA C 13 56.7 0.5 . 1 . . . . . . . . . 4722 1 810 . 1 1 69 69 LYS CB C 13 33.4 0.5 . 1 . . . . . . . . . 4722 1 811 . 1 1 69 69 LYS CG C 13 26.9 0.5 . 1 . . . . . . . . . 4722 1 812 . 1 1 69 69 LYS CE C 13 43.1 0.5 . 1 . . . . . . . . . 4722 1 813 . 1 1 69 69 LYS N N 15 120.3 0.2 . 1 . . . . . . . . . 4722 1 814 . 1 1 70 70 GLU H H 1 8.44 0.01 . 1 . . . . . . . . . 4722 1 815 . 1 1 70 70 GLU HA H 1 3.98 0.04 . 1 . . . . . . . . . 4722 1 816 . 1 1 70 70 GLU HB2 H 1 1.96 0.04 . 1 . . . . . . . . . 4722 1 817 . 1 1 70 70 GLU HB3 H 1 1.96 0.04 . 1 . . . . . . . . . 4722 1 818 . 1 1 70 70 GLU HG2 H 1 2.28 0.04 . 2 . . . . . . . . . 4722 1 819 . 1 1 70 70 GLU HG3 H 1 2.31 0.04 . 2 . . . . . . . . . 4722 1 820 . 1 1 70 70 GLU C C 13 174.5 0.2 . 1 . . . . . . . . . 4722 1 821 . 1 1 70 70 GLU CA C 13 58.5 0.5 . 1 . . . . . . . . . 4722 1 822 . 1 1 70 70 GLU CB C 13 31.4 0.5 . 1 . . . . . . . . . 4722 1 823 . 1 1 70 70 GLU CG C 13 37.4 0.5 . 1 . . . . . . . . . 4722 1 824 . 1 1 70 70 GLU N N 15 121.5 0.2 . 1 . . . . . . . . . 4722 1 825 . 1 1 71 71 ASN H H 1 7.58 0.01 . 1 . . . . . . . . . 4722 1 826 . 1 1 71 71 ASN HA H 1 5.35 0.04 . 1 . . . . . . . . . 4722 1 827 . 1 1 71 71 ASN HB2 H 1 2.59 0.04 . 2 . . . . . . . . . 4722 1 828 . 1 1 71 71 ASN HB3 H 1 2.89 0.04 . 2 . . . . . . . . . 4722 1 829 . 1 1 71 71 ASN HD21 H 1 7.01 0.04 . 2 . . . . . . . . . 4722 1 830 . 1 1 71 71 ASN HD22 H 1 7.73 0.04 . 2 . . . . . . . . . 4722 1 831 . 1 1 71 71 ASN C C 13 177.3 0.2 . 1 . . . . . . . . . 4722 1 832 . 1 1 71 71 ASN CA C 13 51.8 0.5 . 1 . . . . . . . . . 4722 1 833 . 1 1 71 71 ASN CB C 13 40.5 0.5 . 1 . . . . . . . . . 4722 1 834 . 1 1 71 71 ASN N N 15 116.9 0.2 . 1 . . . . . . . . . 4722 1 835 . 1 1 71 71 ASN ND2 N 15 116.7 0.04 . 1 . . . . . . . . . 4722 1 836 . 1 1 72 72 VAL H H 1 8.15 0.01 . 1 . . . . . . . . . 4722 1 837 . 1 1 72 72 VAL HA H 1 4.75 0.04 . 1 . . . . . . . . . 4722 1 838 . 1 1 72 72 VAL HB H 1 2.15 0.04 . 1 . . . . . . . . . 4722 1 839 . 1 1 72 72 VAL HG11 H 1 0.91 0.04 . 2 . . . . . . . . . 4722 1 840 . 1 1 72 72 VAL HG12 H 1 0.91 0.04 . 2 . . . . . . . . . 4722 1 841 . 1 1 72 72 VAL HG13 H 1 0.91 0.04 . 2 . . . . . . . . . 4722 1 842 . 1 1 72 72 VAL HG21 H 1 0.81 0.04 . 2 . . . . . . . . . 4722 1 843 . 1 1 72 72 VAL HG22 H 1 0.81 0.04 . 2 . . . . . . . . . 4722 1 844 . 1 1 72 72 VAL HG23 H 1 0.81 0.04 . 2 . . . . . . . . . 4722 1 845 . 1 1 72 72 VAL C C 13 178.7 0.2 . 1 . . . . . . . . . 4722 1 846 . 1 1 72 72 VAL CA C 13 60.9 0.5 . 1 . . . . . . . . . 4722 1 847 . 1 1 72 72 VAL CB C 13 35.3 0.5 . 1 . . . . . . . . . 4722 1 848 . 1 1 72 72 VAL CG1 C 13 21.2 0.5 . 2 . . . . . . . . . 4722 1 849 . 1 1 72 72 VAL CG2 C 13 22.0 0.5 . 2 . . . . . . . . . 4722 1 850 . 1 1 72 72 VAL N N 15 119.1 0.2 . 1 . . . . . . . . . 4722 1 851 . 1 1 73 73 VAL H H 1 8.69 0.01 . 1 . . . . . . . . . 4722 1 852 . 1 1 73 73 VAL HA H 1 4.84 0.04 . 1 . . . . . . . . . 4722 1 853 . 1 1 73 73 VAL HB H 1 2.22 0.04 . 1 . . . . . . . . . 4722 1 854 . 1 1 73 73 VAL HG11 H 1 1.05 0.04 . 2 . . . . . . . . . 4722 1 855 . 1 1 73 73 VAL HG12 H 1 1.05 0.04 . 2 . . . . . . . . . 4722 1 856 . 1 1 73 73 VAL HG13 H 1 1.05 0.04 . 2 . . . . . . . . . 4722 1 857 . 1 1 73 73 VAL HG21 H 1 0.86 0.04 . 2 . . . . . . . . . 4722 1 858 . 1 1 73 73 VAL HG22 H 1 0.86 0.04 . 2 . . . . . . . . . 4722 1 859 . 1 1 73 73 VAL HG23 H 1 0.86 0.04 . 2 . . . . . . . . . 4722 1 860 . 1 1 73 73 VAL C C 13 176.4 0.2 . 1 . . . . . . . . . 4722 1 861 . 1 1 73 73 VAL CA C 13 61.0 0.5 . 1 . . . . . . . . . 4722 1 862 . 1 1 73 73 VAL CB C 13 34.0 0.5 . 1 . . . . . . . . . 4722 1 863 . 1 1 73 73 VAL CG1 C 13 22.8 0.5 . 2 . . . . . . . . . 4722 1 864 . 1 1 73 73 VAL CG2 C 13 22.0 0.5 . 2 . . . . . . . . . 4722 1 865 . 1 1 73 73 VAL N N 15 125.2 0.2 . 1 . . . . . . . . . 4722 1 866 . 1 1 74 74 ILE H H 1 9.15 0.01 . 1 . . . . . . . . . 4722 1 867 . 1 1 74 74 ILE HA H 1 5.34 0.04 . 1 . . . . . . . . . 4722 1 868 . 1 1 74 74 ILE HB H 1 1.58 0.04 . 1 . . . . . . . . . 4722 1 869 . 1 1 74 74 ILE HG12 H 1 1.47 0.04 . 1 . . . . . . . . . 4722 1 870 . 1 1 74 74 ILE HG13 H 1 0.76 0.04 . 1 . . . . . . . . . 4722 1 871 . 1 1 74 74 ILE HG21 H 1 0.80 0.04 . 1 . . . . . . . . . 4722 1 872 . 1 1 74 74 ILE HG22 H 1 0.80 0.04 . 1 . . . . . . . . . 4722 1 873 . 1 1 74 74 ILE HG23 H 1 0.80 0.04 . 1 . . . . . . . . . 4722 1 874 . 1 1 74 74 ILE HD11 H 1 0.67 0.04 . 1 . . . . . . . . . 4722 1 875 . 1 1 74 74 ILE HD12 H 1 0.67 0.04 . 1 . . . . . . . . . 4722 1 876 . 1 1 74 74 ILE HD13 H 1 0.67 0.04 . 1 . . . . . . . . . 4722 1 877 . 1 1 74 74 ILE C C 13 174.4 0.2 . 1 . . . . . . . . . 4722 1 878 . 1 1 74 74 ILE CA C 13 59.1 0.5 . 1 . . . . . . . . . 4722 1 879 . 1 1 74 74 ILE CB C 13 41.7 0.5 . 1 . . . . . . . . . 4722 1 880 . 1 1 74 74 ILE CG1 C 13 29.3 0.5 . 1 . . . . . . . . . 4722 1 881 . 1 1 74 74 ILE CG2 C 13 19.6 0.5 . 1 . . . . . . . . . 4722 1 882 . 1 1 74 74 ILE CD1 C 13 15.5 0.5 . 1 . . . . . . . . . 4722 1 883 . 1 1 74 74 ILE N N 15 126.9 0.2 . 1 . . . . . . . . . 4722 1 884 . 1 1 75 75 SER H H 1 9.17 0.01 . 1 . . . . . . . . . 4722 1 885 . 1 1 75 75 SER HA H 1 5.05 0.04 . 1 . . . . . . . . . 4722 1 886 . 1 1 75 75 SER HB2 H 1 4.03 0.04 . 1 . . . . . . . . . 4722 1 887 . 1 1 75 75 SER HB3 H 1 4.03 0.04 . 1 . . . . . . . . . 4722 1 888 . 1 1 75 75 SER C C 13 176.3 0.2 . 1 . . . . . . . . . 4722 1 889 . 1 1 75 75 SER CA C 13 58.5 0.5 . 1 . . . . . . . . . 4722 1 890 . 1 1 75 75 SER CB C 13 64.9 0.5 . 1 . . . . . . . . . 4722 1 891 . 1 1 75 75 SER N N 15 122.4 0.2 . 1 . . . . . . . . . 4722 1 892 . 1 1 76 76 THR H H 1 7.61 0.01 . 1 . . . . . . . . . 4722 1 893 . 1 1 76 76 THR HA H 1 4.50 0.04 . 1 . . . . . . . . . 4722 1 894 . 1 1 76 76 THR HB H 1 4.30 0.04 . 1 . . . . . . . . . 4722 1 895 . 1 1 76 76 THR HG21 H 1 1.37 0.04 . 1 . . . . . . . . . 4722 1 896 . 1 1 76 76 THR HG22 H 1 1.37 0.04 . 1 . . . . . . . . . 4722 1 897 . 1 1 76 76 THR HG23 H 1 1.37 0.04 . 1 . . . . . . . . . 4722 1 898 . 1 1 76 76 THR C C 13 176.6 0.2 . 1 . . . . . . . . . 4722 1 899 . 1 1 76 76 THR CA C 13 60.9 0.5 . 1 . . . . . . . . . 4722 1 900 . 1 1 76 76 THR CB C 13 72.6 0.5 . 1 . . . . . . . . . 4722 1 901 . 1 1 76 76 THR CG2 C 13 23.6 0.5 . 1 . . . . . . . . . 4722 1 902 . 1 1 76 76 THR N N 15 114.3 0.2 . 1 . . . . . . . . . 4722 1 903 . 1 1 77 77 GLY H H 1 8.12 0.01 . 1 . . . . . . . . . 4722 1 904 . 1 1 77 77 GLY HA2 H 1 4.32 0.04 . 2 . . . . . . . . . 4722 1 905 . 1 1 77 77 GLY HA3 H 1 4.58 0.04 . 2 . . . . . . . . . 4722 1 906 . 1 1 77 77 GLY C C 13 174.2 0.2 . 1 . . . . . . . . . 4722 1 907 . 1 1 77 77 GLY CA C 13 46.4 0.5 . 1 . . . . . . . . . 4722 1 908 . 1 1 77 77 GLY N N 15 110.4 0.2 . 1 . . . . . . . . . 4722 1 909 . 1 1 78 78 GLY H H 1 7.98 0.01 . 1 . . . . . . . . . 4722 1 910 . 1 1 78 78 GLY HA2 H 1 4.05 0.04 . 2 . . . . . . . . . 4722 1 911 . 1 1 78 78 GLY HA3 H 1 4.37 0.04 . 2 . . . . . . . . . 4722 1 912 . 1 1 78 78 GLY C C 13 174.5 0.2 . 1 . . . . . . . . . 4722 1 913 . 1 1 78 78 GLY CA C 13 48.1 0.5 . 1 . . . . . . . . . 4722 1 914 . 1 1 78 78 GLY N N 15 108.5 0.2 . 1 . . . . . . . . . 4722 1 915 . 1 1 79 79 GLY H H 1 9.63 0.01 . 1 . . . . . . . . . 4722 1 916 . 1 1 79 79 GLY HA2 H 1 3.83 0.04 . 1 . . . . . . . . . 4722 1 917 . 1 1 79 79 GLY HA3 H 1 3.83 0.04 . 1 . . . . . . . . . 4722 1 918 . 1 1 79 79 GLY C C 13 174.6 0.2 . 1 . . . . . . . . . 4722 1 919 . 1 1 79 79 GLY CA C 13 46.4 0.5 . 1 . . . . . . . . . 4722 1 920 . 1 1 79 79 GLY N N 15 111.6 0.2 . 1 . . . . . . . . . 4722 1 921 . 1 1 80 80 LEU H H 1 6.96 0.01 . 1 . . . . . . . . . 4722 1 922 . 1 1 80 80 LEU HA H 1 4.09 0.04 . 1 . . . . . . . . . 4722 1 923 . 1 1 80 80 LEU HB2 H 1 1.64 0.04 . 2 . . . . . . . . . 4722 1 924 . 1 1 80 80 LEU HB3 H 1 1.80 0.04 . 2 . . . . . . . . . 4722 1 925 . 1 1 80 80 LEU HG H 1 1.42 0.04 . 1 . . . . . . . . . 4722 1 926 . 1 1 80 80 LEU HD11 H 1 0.95 0.04 . 2 . . . . . . . . . 4722 1 927 . 1 1 80 80 LEU HD12 H 1 0.95 0.04 . 2 . . . . . . . . . 4722 1 928 . 1 1 80 80 LEU HD13 H 1 0.95 0.04 . 2 . . . . . . . . . 4722 1 929 . 1 1 80 80 LEU HD21 H 1 0.82 0.04 . 2 . . . . . . . . . 4722 1 930 . 1 1 80 80 LEU HD22 H 1 0.82 0.04 . 2 . . . . . . . . . 4722 1 931 . 1 1 80 80 LEU HD23 H 1 0.82 0.04 . 2 . . . . . . . . . 4722 1 932 . 1 1 80 80 LEU C C 13 172.9 0.2 . 1 . . . . . . . . . 4722 1 933 . 1 1 80 80 LEU CA C 13 57.7 0.5 . 1 . . . . . . . . . 4722 1 934 . 1 1 80 80 LEU CB C 13 42.0 0.5 . 1 . . . . . . . . . 4722 1 935 . 1 1 80 80 LEU CG C 13 25.3 0.5 . 1 . . . . . . . . . 4722 1 936 . 1 1 80 80 LEU CD1 C 13 27.7 0.5 . 2 . . . . . . . . . 4722 1 937 . 1 1 80 80 LEU CD2 C 13 25.3 0.5 . 2 . . . . . . . . . 4722 1 938 . 1 1 80 80 LEU N N 15 126.4 0.2 . 1 . . . . . . . . . 4722 1 939 . 1 1 81 81 GLY H H 1 7.37 0.01 . 1 . . . . . . . . . 4722 1 940 . 1 1 81 81 GLY HA2 H 1 3.77 0.04 . 2 . . . . . . . . . 4722 1 941 . 1 1 81 81 GLY HA3 H 1 4.10 0.04 . 2 . . . . . . . . . 4722 1 942 . 1 1 81 81 GLY C C 13 165.8 0.2 . 1 . . . . . . . . . 4722 1 943 . 1 1 81 81 GLY CA C 13 46.4 0.5 . 1 . . . . . . . . . 4722 1 944 . 1 1 81 81 GLY N N 15 100.9 0.2 . 1 . . . . . . . . . 4722 1 945 . 1 1 82 82 ALA H H 1 6.43 0.01 . 1 . . . . . . . . . 4722 1 946 . 1 1 82 82 ALA HA H 1 4.24 0.04 . 1 . . . . . . . . . 4722 1 947 . 1 1 82 82 ALA HB1 H 1 1.05 0.04 . 1 . . . . . . . . . 4722 1 948 . 1 1 82 82 ALA HB2 H 1 1.05 0.04 . 1 . . . . . . . . . 4722 1 949 . 1 1 82 82 ALA HB3 H 1 1.05 0.04 . 1 . . . . . . . . . 4722 1 950 . 1 1 82 82 ALA C C 13 176.0 0.2 . 1 . . . . . . . . . 4722 1 951 . 1 1 82 82 ALA CA C 13 50.4 0.5 . 1 . . . . . . . . . 4722 1 952 . 1 1 82 82 ALA CB C 13 19.6 0.5 . 1 . . . . . . . . . 4722 1 953 . 1 1 82 82 ALA N N 15 114.6 0.2 . 1 . . . . . . . . . 4722 1 954 . 1 1 83 83 ASN H H 1 6.98 0.01 . 1 . . . . . . . . . 4722 1 955 . 1 1 83 83 ASN HA H 1 4.69 0.04 . 1 . . . . . . . . . 4722 1 956 . 1 1 83 83 ASN HB2 H 1 2.63 0.04 . 2 . . . . . . . . . 4722 1 957 . 1 1 83 83 ASN HB3 H 1 3.27 0.04 . 2 . . . . . . . . . 4722 1 958 . 1 1 83 83 ASN HD21 H 1 6.78 0.04 . 2 . . . . . . . . . 4722 1 959 . 1 1 83 83 ASN HD22 H 1 7.46 0.04 . 2 . . . . . . . . . 4722 1 960 . 1 1 83 83 ASN C C 13 175.3 0.2 . 1 . . . . . . . . . 4722 1 961 . 1 1 83 83 ASN CA C 13 52.9 0.5 . 1 . . . . . . . . . 4722 1 962 . 1 1 83 83 ASN CB C 13 39.1 0.5 . 1 . . . . . . . . . 4722 1 963 . 1 1 83 83 ASN N N 15 121.4 0.2 . 1 . . . . . . . . . 4722 1 964 . 1 1 83 83 ASN ND2 N 15 112.0 0.2 . 1 . . . . . . . . . 4722 1 965 . 1 1 84 84 GLU H H 1 9.01 0.01 . 1 . . . . . . . . . 4722 1 966 . 1 1 84 84 GLU HA H 1 3.62 0.04 . 1 . . . . . . . . . 4722 1 967 . 1 1 84 84 GLU HB2 H 1 1.99 0.04 . 1 . . . . . . . . . 4722 1 968 . 1 1 84 84 GLU HB3 H 1 1.99 0.04 . 1 . . . . . . . . . 4722 1 969 . 1 1 84 84 GLU HG2 H 1 2.21 0.04 . 1 . . . . . . . . . 4722 1 970 . 1 1 84 84 GLU HG3 H 1 2.21 0.04 . 1 . . . . . . . . . 4722 1 971 . 1 1 84 84 GLU C C 13 173.0 0.2 . 1 . . . . . . . . . 4722 1 972 . 1 1 84 84 GLU CA C 13 61.0 0.5 . 1 . . . . . . . . . 4722 1 973 . 1 1 84 84 GLU CB C 13 30.0 0.5 . 1 . . . . . . . . . 4722 1 974 . 1 1 84 84 GLU CG C 13 38.3 0.5 . 1 . . . . . . . . . 4722 1 975 . 1 1 84 84 GLU N N 15 128.0 0.2 . 1 . . . . . . . . . 4722 1 976 . 1 1 85 85 GLU H H 1 7.95 0.01 . 1 . . . . . . . . . 4722 1 977 . 1 1 85 85 GLU HA H 1 4.12 0.04 . 1 . . . . . . . . . 4722 1 978 . 1 1 85 85 GLU HB2 H 1 2.02 0.04 . 1 . . . . . . . . . 4722 1 979 . 1 1 85 85 GLU HB3 H 1 2.02 0.04 . 1 . . . . . . . . . 4722 1 980 . 1 1 85 85 GLU C C 13 170.8 0.2 . 1 . . . . . . . . . 4722 1 981 . 1 1 85 85 GLU CA C 13 60.1 0.5 . 1 . . . . . . . . . 4722 1 982 . 1 1 85 85 GLU CB C 13 30.0 0.5 . 1 . . . . . . . . . 4722 1 983 . 1 1 85 85 GLU N N 15 119.8 0.2 . 1 . . . . . . . . . 4722 1 984 . 1 1 86 86 ALA H H 1 7.53 0.01 . 1 . . . . . . . . . 4722 1 985 . 1 1 86 86 ALA HA H 1 3.86 0.04 . 1 . . . . . . . . . 4722 1 986 . 1 1 86 86 ALA HB1 H 1 0.93 0.04 . 1 . . . . . . . . . 4722 1 987 . 1 1 86 86 ALA HB2 H 1 0.93 0.04 . 1 . . . . . . . . . 4722 1 988 . 1 1 86 86 ALA HB3 H 1 0.93 0.04 . 1 . . . . . . . . . 4722 1 989 . 1 1 86 86 ALA C C 13 171.3 0.2 . 1 . . . . . . . . . 4722 1 990 . 1 1 86 86 ALA CA C 13 55.3 0.5 . 1 . . . . . . . . . 4722 1 991 . 1 1 86 86 ALA CB C 13 17.9 0.5 . 1 . . . . . . . . . 4722 1 992 . 1 1 86 86 ALA N N 15 125.1 0.2 . 1 . . . . . . . . . 4722 1 993 . 1 1 87 87 LEU H H 1 9.05 0.01 . 1 . . . . . . . . . 4722 1 994 . 1 1 87 87 LEU HA H 1 4.01 0.04 . 1 . . . . . . . . . 4722 1 995 . 1 1 87 87 LEU HB2 H 1 1.36 0.04 . 2 . . . . . . . . . 4722 1 996 . 1 1 87 87 LEU HB3 H 1 1.75 0.04 . 2 . . . . . . . . . 4722 1 997 . 1 1 87 87 LEU HG H 1 1.45 0.04 . 1 . . . . . . . . . 4722 1 998 . 1 1 87 87 LEU HD11 H 1 0.94 0.04 . 2 . . . . . . . . . 4722 1 999 . 1 1 87 87 LEU HD12 H 1 0.94 0.04 . 2 . . . . . . . . . 4722 1 1000 . 1 1 87 87 LEU HD13 H 1 0.94 0.04 . 2 . . . . . . . . . 4722 1 1001 . 1 1 87 87 LEU HD21 H 1 0.84 0.04 . 2 . . . . . . . . . 4722 1 1002 . 1 1 87 87 LEU HD22 H 1 0.84 0.04 . 2 . . . . . . . . . 4722 1 1003 . 1 1 87 87 LEU HD23 H 1 0.84 0.04 . 2 . . . . . . . . . 4722 1 1004 . 1 1 87 87 LEU C C 13 171.9 0.2 . 1 . . . . . . . . . 4722 1 1005 . 1 1 87 87 LEU CA C 13 58.6 0.5 . 1 . . . . . . . . . 4722 1 1006 . 1 1 87 87 LEU CB C 13 40.8 0.5 . 1 . . . . . . . . . 4722 1 1007 . 1 1 87 87 LEU CG C 13 28.5 0.5 . 1 . . . . . . . . . 4722 1 1008 . 1 1 87 87 LEU CD1 C 13 24.4 0.5 . 2 . . . . . . . . . 4722 1 1009 . 1 1 87 87 LEU CD2 C 13 27.7 0.5 . 2 . . . . . . . . . 4722 1 1010 . 1 1 87 87 LEU N N 15 123.3 0.2 . 1 . . . . . . . . . 4722 1 1011 . 1 1 88 88 ASN H H 1 8.36 0.01 . 1 . . . . . . . . . 4722 1 1012 . 1 1 88 88 ASN HA H 1 4.45 0.04 . 1 . . . . . . . . . 4722 1 1013 . 1 1 88 88 ASN HB2 H 1 2.79 0.04 . 1 . . . . . . . . . 4722 1 1014 . 1 1 88 88 ASN HB3 H 1 2.89 0.04 . 1 . . . . . . . . . 4722 1 1015 . 1 1 88 88 ASN HD21 H 1 7.03 0.04 . 2 . . . . . . . . . 4722 1 1016 . 1 1 88 88 ASN HD22 H 1 7.55 0.04 . 2 . . . . . . . . . 4722 1 1017 . 1 1 88 88 ASN C C 13 172.1 0.2 . 1 . . . . . . . . . 4722 1 1018 . 1 1 88 88 ASN CA C 13 56.3 0.5 . 1 . . . . . . . . . 4722 1 1019 . 1 1 88 88 ASN CB C 13 37.8 0.5 . 1 . . . . . . . . . 4722 1 1020 . 1 1 88 88 ASN N N 15 118.6 0.2 . 1 . . . . . . . . . 4722 1 1021 . 1 1 88 88 ASN ND2 N 15 113.5 0.2 . 1 . . . . . . . . . 4722 1 1022 . 1 1 89 89 PHE H H 1 8.02 0.01 . 1 . . . . . . . . . 4722 1 1023 . 1 1 89 89 PHE HA H 1 4.17 0.04 . 1 . . . . . . . . . 4722 1 1024 . 1 1 89 89 PHE HB2 H 1 3.42 0.04 . 2 . . . . . . . . . 4722 1 1025 . 1 1 89 89 PHE HB3 H 1 3.54 0.04 . 2 . . . . . . . . . 4722 1 1026 . 1 1 89 89 PHE HD1 H 1 6.84 0.04 . 1 . . . . . . . . . 4722 1 1027 . 1 1 89 89 PHE HD2 H 1 6.84 0.04 . 1 . . . . . . . . . 4722 1 1028 . 1 1 89 89 PHE HE1 H 1 7.26 0.04 . 1 . . . . . . . . . 4722 1 1029 . 1 1 89 89 PHE HE2 H 1 7.26 0.04 . 1 . . . . . . . . . 4722 1 1030 . 1 1 89 89 PHE HZ H 1 7.17 0.04 . 1 . . . . . . . . . 4722 1 1031 . 1 1 89 89 PHE C C 13 172.4 0.2 . 1 . . . . . . . . . 4722 1 1032 . 1 1 89 89 PHE CA C 13 61.9 0.5 . 1 . . . . . . . . . 4722 1 1033 . 1 1 89 89 PHE CB C 13 38.3 0.5 . 1 . . . . . . . . . 4722 1 1034 . 1 1 89 89 PHE N N 15 123.6 0.2 . 1 . . . . . . . . . 4722 1 1035 . 1 1 90 90 MET H H 1 8.78 0.01 . 1 . . . . . . . . . 4722 1 1036 . 1 1 90 90 MET HA H 1 4.12 0.04 . 1 . . . . . . . . . 4722 1 1037 . 1 1 90 90 MET HB2 H 1 2.35 0.04 . 2 . . . . . . . . . 4722 1 1038 . 1 1 90 90 MET HB3 H 1 2.55 0.04 . 2 . . . . . . . . . 4722 1 1039 . 1 1 90 90 MET HG2 H 1 2.35 0.04 . 1 . . . . . . . . . 4722 1 1040 . 1 1 90 90 MET HG3 H 1 2.35 0.04 . 1 . . . . . . . . . 4722 1 1041 . 1 1 90 90 MET C C 13 172.9 0.2 . 1 . . . . . . . . . 4722 1 1042 . 1 1 90 90 MET CA C 13 61.0 0.5 . 1 . . . . . . . . . 4722 1 1043 . 1 1 90 90 MET CB C 13 36.6 0.5 . 1 . . . . . . . . . 4722 1 1044 . 1 1 90 90 MET CG C 13 30.9 0.5 . 1 . . . . . . . . . 4722 1 1045 . 1 1 90 90 MET N N 15 122.1 0.2 . 1 . . . . . . . . . 4722 1 1046 . 1 1 91 91 LYS H H 1 8.51 0.01 . 1 . . . . . . . . . 4722 1 1047 . 1 1 91 91 LYS HA H 1 4.26 0.04 . 1 . . . . . . . . . 4722 1 1048 . 1 1 91 91 LYS HB2 H 1 1.83 0.04 . 2 . . . . . . . . . 4722 1 1049 . 1 1 91 91 LYS HB3 H 1 2.04 0.04 . 2 . . . . . . . . . 4722 1 1050 . 1 1 91 91 LYS HE2 H 1 2.95 0.04 . 1 . . . . . . . . . 4722 1 1051 . 1 1 91 91 LYS HE3 H 1 2.95 0.04 . 1 . . . . . . . . . 4722 1 1052 . 1 1 91 91 LYS C C 13 172.5 0.2 . 1 . . . . . . . . . 4722 1 1053 . 1 1 91 91 LYS CA C 13 60.0 0.5 . 1 . . . . . . . . . 4722 1 1054 . 1 1 91 91 LYS CB C 13 32.9 0.5 . 1 . . . . . . . . . 4722 1 1055 . 1 1 91 91 LYS CE C 13 43.1 0.5 . 1 . . . . . . . . . 4722 1 1056 . 1 1 91 91 LYS N N 15 117.4 0.2 . 1 . . . . . . . . . 4722 1 1057 . 1 1 92 92 SER H H 1 7.53 0.01 . 1 . . . . . . . . . 4722 1 1058 . 1 1 92 92 SER HA H 1 4.40 0.04 . 1 . . . . . . . . . 4722 1 1059 . 1 1 92 92 SER HB2 H 1 3.94 0.04 . 2 . . . . . . . . . 4722 1 1060 . 1 1 92 92 SER HB3 H 1 3.99 0.04 . 2 . . . . . . . . . 4722 1 1061 . 1 1 92 92 SER C C 13 175.7 0.2 . 9 . . . . . . . . . 4722 1 1062 . 1 1 92 92 SER CA C 13 60.0 0.5 . 1 . . . . . . . . . 4722 1 1063 . 1 1 92 92 SER CB C 13 63.8 0.5 . 1 . . . . . . . . . 4722 1 1064 . 1 1 92 92 SER N N 15 113.1 0.2 . 1 . . . . . . . . . 4722 1 1065 . 1 1 93 93 ARG H H 1 7.45 0.01 . 1 . . . . . . . . . 4722 1 1066 . 1 1 93 93 ARG HA H 1 4.56 0.04 . 1 . . . . . . . . . 4722 1 1067 . 1 1 93 93 ARG HB2 H 1 1.79 0.04 . 2 . . . . . . . . . 4722 1 1068 . 1 1 93 93 ARG HB3 H 1 1.92 0.04 . 2 . . . . . . . . . 4722 1 1069 . 1 1 93 93 ARG HG2 H 1 1.09 0.04 . 2 . . . . . . . . . 4722 1 1070 . 1 1 93 93 ARG HG3 H 1 1.16 0.04 . 2 . . . . . . . . . 4722 1 1071 . 1 1 93 93 ARG HD2 H 1 2.65 0.04 . 2 . . . . . . . . . 4722 1 1072 . 1 1 93 93 ARG HD3 H 1 2.73 0.04 . 2 . . . . . . . . . 4722 1 1073 . 1 1 93 93 ARG C C 13 173.6 0.2 . 1 . . . . . . . . . 4722 1 1074 . 1 1 93 93 ARG CA C 13 55.5 0.5 . 1 . . . . . . . . . 4722 1 1075 . 1 1 93 93 ARG CB C 13 33.0 0.5 . 1 . . . . . . . . . 4722 1 1076 . 1 1 93 93 ARG CG C 13 26.9 0.5 . 1 . . . . . . . . . 4722 1 1077 . 1 1 93 93 ARG CD C 13 43.9 0.5 . 1 . . . . . . . . . 4722 1 1078 . 1 1 93 93 ARG N N 15 121.3 0.2 . 1 . . . . . . . . . 4722 1 1079 . 1 1 94 94 GLY H H 1 8.39 0.01 . 1 . . . . . . . . . 4722 1 1080 . 1 1 94 94 GLY HA2 H 1 4.38 0.04 . 2 . . . . . . . . . 4722 1 1081 . 1 1 94 94 GLY HA3 H 1 4.48 0.04 . 2 . . . . . . . . . 4722 1 1082 . 1 1 94 94 GLY C C 13 180.0 0.2 . 1 . . . . . . . . . 4722 1 1083 . 1 1 94 94 GLY CA C 13 47.4 0.5 . 1 . . . . . . . . . 4722 1 1084 . 1 1 94 94 GLY N N 15 112.8 0.2 . 1 . . . . . . . . . 4722 1 1085 . 1 1 95 95 THR H H 1 8.57 0.01 . 1 . . . . . . . . . 4722 1 1086 . 1 1 95 95 THR HA H 1 4.71 0.04 . 1 . . . . . . . . . 4722 1 1087 . 1 1 95 95 THR HB H 1 3.89 0.04 . 1 . . . . . . . . . 4722 1 1088 . 1 1 95 95 THR HG21 H 1 1.26 0.04 . 1 . . . . . . . . . 4722 1 1089 . 1 1 95 95 THR HG22 H 1 1.26 0.04 . 1 . . . . . . . . . 4722 1 1090 . 1 1 95 95 THR HG23 H 1 1.26 0.04 . 1 . . . . . . . . . 4722 1 1091 . 1 1 95 95 THR C C 13 176.6 0.2 . 1 . . . . . . . . . 4722 1 1092 . 1 1 95 95 THR CA C 13 62.9 0.5 . 1 . . . . . . . . . 4722 1 1093 . 1 1 95 95 THR CB C 13 71.2 0.5 . 1 . . . . . . . . . 4722 1 1094 . 1 1 95 95 THR CG2 C 13 22.8 0.5 . 1 . . . . . . . . . 4722 1 1095 . 1 1 95 95 THR N N 15 118.9 0.2 . 1 . . . . . . . . . 4722 1 1096 . 1 1 96 96 THR H H 1 9.74 0.01 . 1 . . . . . . . . . 4722 1 1097 . 1 1 96 96 THR HA H 1 5.24 0.04 . 1 . . . . . . . . . 4722 1 1098 . 1 1 96 96 THR HB H 1 3.98 0.04 . 1 . . . . . . . . . 4722 1 1099 . 1 1 96 96 THR HG21 H 1 1.23 0.04 . 1 . . . . . . . . . 4722 1 1100 . 1 1 96 96 THR HG22 H 1 1.23 0.04 . 1 . . . . . . . . . 4722 1 1101 . 1 1 96 96 THR HG23 H 1 1.23 0.04 . 1 . . . . . . . . . 4722 1 1102 . 1 1 96 96 THR C C 13 177.3 0.2 . 1 . . . . . . . . . 4722 1 1103 . 1 1 96 96 THR CA C 13 60.0 0.5 . 1 . . . . . . . . . 4722 1 1104 . 1 1 96 96 THR CB C 13 72.6 0.5 . 1 . . . . . . . . . 4722 1 1105 . 1 1 96 96 THR CG2 C 13 26.1 0.5 . 1 . . . . . . . . . 4722 1 1106 . 1 1 96 96 THR N N 15 119.0 0.2 . 1 . . . . . . . . . 4722 1 1107 . 1 1 97 97 VAL H H 1 9.23 0.01 . 1 . . . . . . . . . 4722 1 1108 . 1 1 97 97 VAL HA H 1 4.87 0.04 . 1 . . . . . . . . . 4722 1 1109 . 1 1 97 97 VAL HB H 1 2.22 0.04 . 1 . . . . . . . . . 4722 1 1110 . 1 1 97 97 VAL HG11 H 1 0.78 0.04 . 2 . . . . . . . . . 4722 1 1111 . 1 1 97 97 VAL HG12 H 1 0.78 0.04 . 2 . . . . . . . . . 4722 1 1112 . 1 1 97 97 VAL HG13 H 1 0.78 0.04 . 2 . . . . . . . . . 4722 1 1113 . 1 1 97 97 VAL HG21 H 1 0.68 0.04 . 2 . . . . . . . . . 4722 1 1114 . 1 1 97 97 VAL HG22 H 1 0.68 0.04 . 2 . . . . . . . . . 4722 1 1115 . 1 1 97 97 VAL HG23 H 1 0.68 0.04 . 2 . . . . . . . . . 4722 1 1116 . 1 1 97 97 VAL C C 13 176.7 0.2 . 1 . . . . . . . . . 4722 1 1117 . 1 1 97 97 VAL CA C 13 60.1 0.5 . 1 . . . . . . . . . 4722 1 1118 . 1 1 97 97 VAL CB C 13 34.3 0.5 . 1 . . . . . . . . . 4722 1 1119 . 1 1 97 97 VAL CG1 C 13 20.4 0.5 . 2 . . . . . . . . . 4722 1 1120 . 1 1 97 97 VAL CG2 C 13 22.0 0.5 . 2 . . . . . . . . . 4722 1 1121 . 1 1 97 97 VAL N N 15 124.9 0.2 . 1 . . . . . . . . . 4722 1 1122 . 1 1 98 98 PHE H H 1 9.58 0.01 . 1 . . . . . . . . . 4722 1 1123 . 1 1 98 98 PHE HA H 1 5.38 0.04 . 1 . . . . . . . . . 4722 1 1124 . 1 1 98 98 PHE HB2 H 1 3.02 0.04 . 2 . . . . . . . . . 4722 1 1125 . 1 1 98 98 PHE HB3 H 1 3.19 0.04 . 2 . . . . . . . . . 4722 1 1126 . 1 1 98 98 PHE C C 13 176.8 0.2 . 1 . . . . . . . . . 4722 1 1127 . 1 1 98 98 PHE CA C 13 52.8 0.5 . 1 . . . . . . . . . 4722 1 1128 . 1 1 98 98 PHE CB C 13 40.2 0.5 . 1 . . . . . . . . . 4722 1 1129 . 1 1 98 98 PHE N N 15 129.5 0.2 . 1 . . . . . . . . . 4722 1 1130 . 1 1 99 99 ILE H H 1 8.65 0.01 . 1 . . . . . . . . . 4722 1 1131 . 1 1 99 99 ILE HA H 1 3.92 0.04 . 1 . . . . . . . . . 4722 1 1132 . 1 1 99 99 ILE HB H 1 1.93 0.04 . 1 . . . . . . . . . 4722 1 1133 . 1 1 99 99 ILE HG12 H 1 1.54 0.04 . 1 . . . . . . . . . 4722 1 1134 . 1 1 99 99 ILE HG13 H 1 1.54 0.04 . 1 . . . . . . . . . 4722 1 1135 . 1 1 99 99 ILE HG21 H 1 0.82 0.04 . 1 . . . . . . . . . 4722 1 1136 . 1 1 99 99 ILE HG22 H 1 0.82 0.04 . 1 . . . . . . . . . 4722 1 1137 . 1 1 99 99 ILE HG23 H 1 0.82 0.04 . 1 . . . . . . . . . 4722 1 1138 . 1 1 99 99 ILE HD11 H 1 0.73 0.04 . 1 . . . . . . . . . 4722 1 1139 . 1 1 99 99 ILE HD12 H 1 0.73 0.04 . 1 . . . . . . . . . 4722 1 1140 . 1 1 99 99 ILE HD13 H 1 0.73 0.04 . 1 . . . . . . . . . 4722 1 1141 . 1 1 99 99 ILE C C 13 178.7 0.2 . 1 . . . . . . . . . 4722 1 1142 . 1 1 99 99 ILE CA C 13 61.1 0.5 . 1 . . . . . . . . . 4722 1 1143 . 1 1 99 99 ILE CB C 13 36.2 0.5 . 1 . . . . . . . . . 4722 1 1144 . 1 1 99 99 ILE CG2 C 13 20.4 0.5 . 1 . . . . . . . . . 4722 1 1145 . 1 1 99 99 ILE CD1 C 13 14.7 0.5 . 1 . . . . . . . . . 4722 1 1146 . 1 1 99 99 ILE N N 15 130.0 0.2 . 1 . . . . . . . . . 4722 1 1147 . 1 1 100 100 ASP H H 1 8.01 0.01 . 1 . . . . . . . . . 4722 1 1148 . 1 1 100 100 ASP HA H 1 3.97 0.04 . 1 . . . . . . . . . 4722 1 1149 . 1 1 100 100 ASP HB2 H 1 2.41 0.04 . 2 . . . . . . . . . 4722 1 1150 . 1 1 100 100 ASP HB3 H 1 0.99 0.04 . 2 . . . . . . . . . 4722 1 1151 . 1 1 100 100 ASP C C 13 173.9 0.2 . 1 . . . . . . . . . 4722 1 1152 . 1 1 100 100 ASP CA C 13 53.8 0.5 . 1 . . . . . . . . . 4722 1 1153 . 1 1 100 100 ASP CB C 13 42.6 0.5 . 1 . . . . . . . . . 4722 1 1154 . 1 1 100 100 ASP N N 15 128.3 0.2 . 1 . . . . . . . . . 4722 1 1155 . 1 1 101 101 ILE H H 1 7.66 0.01 . 1 . . . . . . . . . 4722 1 1156 . 1 1 101 101 ILE HA H 1 5.05 0.04 . 1 . . . . . . . . . 4722 1 1157 . 1 1 101 101 ILE HB H 1 1.74 0.04 . 1 . . . . . . . . . 4722 1 1158 . 1 1 101 101 ILE HG12 H 1 1.28 0.04 . 2 . . . . . . . . . 4722 1 1159 . 1 1 101 101 ILE HG13 H 1 1.87 0.04 . 2 . . . . . . . . . 4722 1 1160 . 1 1 101 101 ILE HG21 H 1 0.90 0.04 . 1 . . . . . . . . . 4722 1 1161 . 1 1 101 101 ILE HG22 H 1 0.90 0.04 . 1 . . . . . . . . . 4722 1 1162 . 1 1 101 101 ILE HG23 H 1 0.90 0.04 . 1 . . . . . . . . . 4722 1 1163 . 1 1 101 101 ILE HD11 H 1 0.99 0.04 . 1 . . . . . . . . . 4722 1 1164 . 1 1 101 101 ILE HD12 H 1 0.99 0.04 . 1 . . . . . . . . . 4722 1 1165 . 1 1 101 101 ILE HD13 H 1 0.99 0.04 . 1 . . . . . . . . . 4722 1 1166 . 1 1 101 101 ILE CA C 13 57.8 0.5 . 1 . . . . . . . . . 4722 1 1167 . 1 1 101 101 ILE CB C 13 41.2 0.5 . 1 . . . . . . . . . 4722 1 1168 . 1 1 101 101 ILE CG1 C 13 25.3 0.5 . 1 . . . . . . . . . 4722 1 1169 . 1 1 101 101 ILE CG2 C 13 20.4 0.5 . 1 . . . . . . . . . 4722 1 1170 . 1 1 101 101 ILE CD1 C 13 14.7 0.5 . 1 . . . . . . . . . 4722 1 1171 . 1 1 101 101 ILE N N 15 120.1 0.2 . 1 . . . . . . . . . 4722 1 1172 . 1 1 102 102 PRO HA H 1 4.91 0.04 . 1 . . . . . . . . . 4722 1 1173 . 1 1 102 102 PRO HB2 H 1 2.04 0.04 . 2 . . . . . . . . . 4722 1 1174 . 1 1 102 102 PRO HB3 H 1 2.64 0.04 . 2 . . . . . . . . . 4722 1 1175 . 1 1 102 102 PRO HG2 H 1 2.18 0.04 . 1 . . . . . . . . . 4722 1 1176 . 1 1 102 102 PRO HG3 H 1 2.18 0.04 . 1 . . . . . . . . . 4722 1 1177 . 1 1 102 102 PRO HD2 H 1 3.32 0.04 . 2 . . . . . . . . . 4722 1 1178 . 1 1 102 102 PRO HD3 H 1 4.04 0.04 . 2 . . . . . . . . . 4722 1 1179 . 1 1 102 102 PRO C C 13 172.6 0.2 . 1 . . . . . . . . . 4722 1 1180 . 1 1 102 102 PRO CA C 13 62.1 0.5 . 1 . . . . . . . . . 4722 1 1181 . 1 1 102 102 PRO CB C 13 33.2 0.5 . 1 . . . . . . . . . 4722 1 1182 . 1 1 102 102 PRO CG C 13 28.5 0.5 . 1 . . . . . . . . . 4722 1 1183 . 1 1 102 102 PRO CD C 13 51.3 0.5 . 1 . . . . . . . . . 4722 1 1184 . 1 1 103 103 PHE H H 1 9.42 0.01 . 1 . . . . . . . . . 4722 1 1185 . 1 1 103 103 PHE HA H 1 3.35 0.04 . 1 . . . . . . . . . 4722 1 1186 . 1 1 103 103 PHE HB2 H 1 2.33 0.04 . 2 . . . . . . . . . 4722 1 1187 . 1 1 103 103 PHE HB3 H 1 2.64 0.04 . 2 . . . . . . . . . 4722 1 1188 . 1 1 103 103 PHE HD1 H 1 6.32 0.04 . 1 . . . . . . . . . 4722 1 1189 . 1 1 103 103 PHE HD2 H 1 6.32 0.04 . 1 . . . . . . . . . 4722 1 1190 . 1 1 103 103 PHE HE1 H 1 7.08 0.04 . 1 . . . . . . . . . 4722 1 1191 . 1 1 103 103 PHE HE2 H 1 7.08 0.04 . 1 . . . . . . . . . 4722 1 1192 . 1 1 103 103 PHE HZ H 1 7.14 0.04 . 1 . . . . . . . . . 4722 1 1193 . 1 1 103 103 PHE C C 13 173.6 0.2 . 1 . . . . . . . . . 4722 1 1194 . 1 1 103 103 PHE CA C 13 62.4 0.5 . 1 . . . . . . . . . 4722 1 1195 . 1 1 103 103 PHE CB C 13 39.1 0.5 . 1 . . . . . . . . . 4722 1 1196 . 1 1 103 103 PHE CD1 C 13 132.5 0.5 . 1 . . . . . . . . . 4722 1 1197 . 1 1 103 103 PHE CD2 C 13 132.5 0.5 . 1 . . . . . . . . . 4722 1 1198 . 1 1 103 103 PHE N N 15 127.2 0.2 . 1 . . . . . . . . . 4722 1 1199 . 1 1 104 104 GLU H H 1 9.58 0.01 . 1 . . . . . . . . . 4722 1 1200 . 1 1 104 104 GLU HA H 1 3.81 0.04 . 1 . . . . . . . . . 4722 1 1201 . 1 1 104 104 GLU HB2 H 1 2.07 0.04 . 1 . . . . . . . . . 4722 1 1202 . 1 1 104 104 GLU HB3 H 1 2.07 0.04 . 1 . . . . . . . . . 4722 1 1203 . 1 1 104 104 GLU HG2 H 1 2.37 0.04 . 2 . . . . . . . . . 4722 1 1204 . 1 1 104 104 GLU HG3 H 1 2.49 0.04 . 2 . . . . . . . . . 4722 1 1205 . 1 1 104 104 GLU C C 13 171.7 0.2 . 1 . . . . . . . . . 4722 1 1206 . 1 1 104 104 GLU CA C 13 60.5 0.5 . 1 . . . . . . . . . 4722 1 1207 . 1 1 104 104 GLU CB C 13 28.6 0.5 . 1 . . . . . . . . . 4722 1 1208 . 1 1 104 104 GLU CG C 13 38.3 0.5 . 1 . . . . . . . . . 4722 1 1209 . 1 1 104 104 GLU N N 15 115.6 0.2 . 1 . . . . . . . . . 4722 1 1210 . 1 1 105 105 VAL H H 1 7.06 0.01 . 1 . . . . . . . . . 4722 1 1211 . 1 1 105 105 VAL HA H 1 3.84 0.04 . 1 . . . . . . . . . 4722 1 1212 . 1 1 105 105 VAL HB H 1 2.13 0.04 . 1 . . . . . . . . . 4722 1 1213 . 1 1 105 105 VAL HG11 H 1 1.05 0.04 . 2 . . . . . . . . . 4722 1 1214 . 1 1 105 105 VAL HG12 H 1 1.05 0.04 . 2 . . . . . . . . . 4722 1 1215 . 1 1 105 105 VAL HG13 H 1 1.05 0.04 . 2 . . . . . . . . . 4722 1 1216 . 1 1 105 105 VAL HG21 H 1 0.92 0.04 . 2 . . . . . . . . . 4722 1 1217 . 1 1 105 105 VAL HG22 H 1 0.92 0.04 . 2 . . . . . . . . . 4722 1 1218 . 1 1 105 105 VAL HG23 H 1 0.92 0.04 . 2 . . . . . . . . . 4722 1 1219 . 1 1 105 105 VAL C C 13 173.3 0.2 . 1 . . . . . . . . . 4722 1 1220 . 1 1 105 105 VAL CA C 13 65.4 0.5 . 1 . . . . . . . . . 4722 1 1221 . 1 1 105 105 VAL CB C 13 31.9 0.5 . 1 . . . . . . . . . 4722 1 1222 . 1 1 105 105 VAL CG1 C 13 24.4 0.5 . 2 . . . . . . . . . 4722 1 1223 . 1 1 105 105 VAL CG2 C 13 21.2 0.5 . 2 . . . . . . . . . 4722 1 1224 . 1 1 105 105 VAL N N 15 121.4 0.2 . 1 . . . . . . . . . 4722 1 1225 . 1 1 106 106 PHE H H 1 7.32 0.01 . 1 . . . . . . . . . 4722 1 1226 . 1 1 106 106 PHE HA H 1 4.09 0.04 . 1 . . . . . . . . . 4722 1 1227 . 1 1 106 106 PHE HB2 H 1 3.04 0.04 . 2 . . . . . . . . . 4722 1 1228 . 1 1 106 106 PHE HB3 H 1 3.49 0.04 . 2 . . . . . . . . . 4722 1 1229 . 1 1 106 106 PHE C C 13 174.5 0.2 . 1 . . . . . . . . . 4722 1 1230 . 1 1 106 106 PHE CA C 13 61.1 0.5 . 1 . . . . . . . . . 4722 1 1231 . 1 1 106 106 PHE CB C 13 37.2 0.5 . 1 . . . . . . . . . 4722 1 1232 . 1 1 106 106 PHE N N 15 123.5 0.2 . 1 . . . . . . . . . 4722 1 1233 . 1 1 107 107 LEU H H 1 7.76 0.01 . 1 . . . . . . . . . 4722 1 1234 . 1 1 107 107 LEU HA H 1 2.90 0.04 . 1 . . . . . . . . . 4722 1 1235 . 1 1 107 107 LEU HB2 H 1 1.21 0.04 . 2 . . . . . . . . . 4722 1 1236 . 1 1 107 107 LEU HB3 H 1 1.31 0.04 . 2 . . . . . . . . . 4722 1 1237 . 1 1 107 107 LEU HG H 1 1.11 0.04 . 1 . . . . . . . . . 4722 1 1238 . 1 1 107 107 LEU HD11 H 1 0.79 0.04 . 1 . . . . . . . . . 4722 1 1239 . 1 1 107 107 LEU HD12 H 1 0.79 0.04 . 1 . . . . . . . . . 4722 1 1240 . 1 1 107 107 LEU HD13 H 1 0.79 0.04 . 1 . . . . . . . . . 4722 1 1241 . 1 1 107 107 LEU HD21 H 1 0.70 0.04 . 1 . . . . . . . . . 4722 1 1242 . 1 1 107 107 LEU HD22 H 1 0.70 0.04 . 1 . . . . . . . . . 4722 1 1243 . 1 1 107 107 LEU HD23 H 1 0.70 0.04 . 1 . . . . . . . . . 4722 1 1244 . 1 1 107 107 LEU C C 13 171.8 0.2 . 9 . . . . . . . . . 4722 1 1245 . 1 1 107 107 LEU CA C 13 57.4 0.5 . 1 . . . . . . . . . 4722 1 1246 . 1 1 107 107 LEU CB C 13 42.2 0.5 . 1 . . . . . . . . . 4722 1 1247 . 1 1 107 107 LEU CG C 13 26.9 0.5 . 1 . . . . . . . . . 4722 1 1248 . 1 1 107 107 LEU CD1 C 13 26.1 0.5 . 1 . . . . . . . . . 4722 1 1249 . 1 1 107 107 LEU CD2 C 13 24.4 0.5 . 1 . . . . . . . . . 4722 1 1250 . 1 1 107 107 LEU N N 15 120.5 0.2 . 1 . . . . . . . . . 4722 1 1251 . 1 1 108 108 GLU H H 1 7.16 0.01 . 1 . . . . . . . . . 4722 1 1252 . 1 1 108 108 GLU HA H 1 3.91 0.04 . 1 . . . . . . . . . 4722 1 1253 . 1 1 108 108 GLU HB2 H 1 2.07 0.04 . 1 . . . . . . . . . 4722 1 1254 . 1 1 108 108 GLU HB3 H 1 2.07 0.04 . 1 . . . . . . . . . 4722 1 1255 . 1 1 108 108 GLU HG2 H 1 2.29 0.04 . 1 . . . . . . . . . 4722 1 1256 . 1 1 108 108 GLU HG3 H 1 2.29 0.04 . 1 . . . . . . . . . 4722 1 1257 . 1 1 108 108 GLU C C 13 172.0 0.2 . 1 . . . . . . . . . 4722 1 1258 . 1 1 108 108 GLU CA C 13 59.4 0.5 . 1 . . . . . . . . . 4722 1 1259 . 1 1 108 108 GLU CB C 13 30.4 0.5 . 1 . . . . . . . . . 4722 1 1260 . 1 1 108 108 GLU CG C 13 36.6 0.5 . 1 . . . . . . . . . 4722 1 1261 . 1 1 108 108 GLU N N 15 117.8 0.2 . 1 . . . . . . . . . 4722 1 1262 . 1 1 109 109 ARG H H 1 7.92 0.01 . 1 . . . . . . . . . 4722 1 1263 . 1 1 109 109 ARG HA H 1 4.16 0.04 . 1 . . . . . . . . . 4722 1 1264 . 1 1 109 109 ARG HB2 H 1 2.03 0.04 . 1 . . . . . . . . . 4722 1 1265 . 1 1 109 109 ARG HB3 H 1 2.03 0.04 . 1 . . . . . . . . . 4722 1 1266 . 1 1 109 109 ARG C C 13 172.8 0.2 . 1 . . . . . . . . . 4722 1 1267 . 1 1 109 109 ARG CA C 13 59.1 0.5 . 1 . . . . . . . . . 4722 1 1268 . 1 1 109 109 ARG CB C 13 32.9 0.5 . 1 . . . . . . . . . 4722 1 1269 . 1 1 109 109 ARG N N 15 116.9 0.2 . 1 . . . . . . . . . 4722 1 1270 . 1 1 110 110 CYS H H 1 8.31 0.01 . 1 . . . . . . . . . 4722 1 1271 . 1 1 110 110 CYS HA H 1 4.66 0.04 . 1 . . . . . . . . . 4722 1 1272 . 1 1 110 110 CYS HB2 H 1 2.77 0.04 . 2 . . . . . . . . . 4722 1 1273 . 1 1 110 110 CYS HB3 H 1 2.87 0.04 . 2 . . . . . . . . . 4722 1 1274 . 1 1 110 110 CYS C C 13 175.1 0.2 . 1 . . . . . . . . . 4722 1 1275 . 1 1 110 110 CYS CA C 13 58.9 0.5 . 1 . . . . . . . . . 4722 1 1276 . 1 1 110 110 CYS CB C 13 39.9 0.5 . 1 . . . . . . . . . 4722 1 1277 . 1 1 110 110 CYS N N 15 120.9 0.2 . 1 . . . . . . . . . 4722 1 1278 . 1 1 111 111 LYS H H 1 7.22 0.01 . 1 . . . . . . . . . 4722 1 1279 . 1 1 111 111 LYS HA H 1 3.96 0.04 . 1 . . . . . . . . . 4722 1 1280 . 1 1 111 111 LYS HB2 H 1 1.81 0.04 . 1 . . . . . . . . . 4722 1 1281 . 1 1 111 111 LYS HB3 H 1 1.81 0.04 . 1 . . . . . . . . . 4722 1 1282 . 1 1 111 111 LYS HG2 H 1 1.31 0.04 . 2 . . . . . . . . . 4722 1 1283 . 1 1 111 111 LYS HG3 H 1 1.36 0.04 . 2 . . . . . . . . . 4722 1 1284 . 1 1 111 111 LYS HD2 H 1 1.67 0.04 . 1 . . . . . . . . . 4722 1 1285 . 1 1 111 111 LYS HD3 H 1 1.67 0.04 . 1 . . . . . . . . . 4722 1 1286 . 1 1 111 111 LYS HE2 H 1 3.00 0.04 . 1 . . . . . . . . . 4722 1 1287 . 1 1 111 111 LYS HE3 H 1 3.00 0.04 . 1 . . . . . . . . . 4722 1 1288 . 1 1 111 111 LYS C C 13 174.4 0.2 . 1 . . . . . . . . . 4722 1 1289 . 1 1 111 111 LYS CA C 13 59.1 0.5 . 1 . . . . . . . . . 4722 1 1290 . 1 1 111 111 LYS CB C 13 32.2 0.5 . 1 . . . . . . . . . 4722 1 1291 . 1 1 111 111 LYS CG C 13 24.4 0.5 . 1 . . . . . . . . . 4722 1 1292 . 1 1 111 111 LYS CD C 13 30.1 0.5 . 1 . . . . . . . . . 4722 1 1293 . 1 1 111 111 LYS CE C 13 43.1 0.5 . 1 . . . . . . . . . 4722 1 1294 . 1 1 111 111 LYS N N 15 120.6 0.2 . 1 . . . . . . . . . 4722 1 1295 . 1 1 112 112 ASP H H 1 8.31 0.01 . 1 . . . . . . . . . 4722 1 1296 . 1 1 112 112 ASP HA H 1 4.53 0.04 . 1 . . . . . . . . . 4722 1 1297 . 1 1 112 112 ASP HB2 H 1 2.43 0.04 . 2 . . . . . . . . . 4722 1 1298 . 1 1 112 112 ASP HB3 H 1 2.75 0.04 . 2 . . . . . . . . . 4722 1 1299 . 1 1 112 112 ASP C C 13 174.6 0.2 . 1 . . . . . . . . . 4722 1 1300 . 1 1 112 112 ASP CA C 13 54.2 0.5 . 1 . . . . . . . . . 4722 1 1301 . 1 1 112 112 ASP CB C 13 41.1 0.5 . 1 . . . . . . . . . 4722 1 1302 . 1 1 112 112 ASP N N 15 119.3 0.2 . 1 . . . . . . . . . 4722 1 1303 . 1 1 113 113 SER H H 1 7.72 0.01 . 1 . . . . . . . . . 4722 1 1304 . 1 1 113 113 SER HA H 1 4.35 0.5 . 1 . . . . . . . . . 4722 1 1305 . 1 1 113 113 SER HB2 H 1 3.85 0.5 . 2 . . . . . . . . . 4722 1 1306 . 1 1 113 113 SER HB3 H 1 3.94 0.5 . 2 . . . . . . . . . 4722 1 1307 . 1 1 113 113 SER C C 13 174.8 0.2 . 1 . . . . . . . . . 4722 1 1308 . 1 1 113 113 SER CA C 13 59.1 0.5 . 1 . . . . . . . . . 4722 1 1309 . 1 1 113 113 SER CB C 13 63.9 0.5 . 1 . . . . . . . . . 4722 1 1310 . 1 1 113 113 SER N N 15 116.5 0.2 . 1 . . . . . . . . . 4722 1 1311 . 1 1 114 114 LYS H H 1 8.60 0.01 . 1 . . . . . . . . . 4722 1 1312 . 1 1 114 114 LYS HA H 1 4.34 0.04 . 1 . . . . . . . . . 4722 1 1313 . 1 1 114 114 LYS HB2 H 1 1.45 0.04 . 1 . . . . . . . . . 4722 1 1314 . 1 1 114 114 LYS HB3 H 1 1.45 0.04 . 1 . . . . . . . . . 4722 1 1315 . 1 1 114 114 LYS C C 13 173.3 0.2 . 1 . . . . . . . . . 4722 1 1316 . 1 1 114 114 LYS CA C 13 57.1 0.5 . 1 . . . . . . . . . 4722 1 1317 . 1 1 114 114 LYS CB C 13 33.3 0.5 . 1 . . . . . . . . . 4722 1 1318 . 1 1 114 114 LYS N N 15 125.7 0.2 . 1 . . . . . . . . . 4722 1 1319 . 1 1 115 115 GLU H H 1 8.36 0.01 . 1 . . . . . . . . . 4722 1 1320 . 1 1 115 115 GLU HA H 1 4.33 0.04 . 1 . . . . . . . . . 4722 1 1321 . 1 1 115 115 GLU HB2 H 1 1.93 0.04 . 2 . . . . . . . . . 4722 1 1322 . 1 1 115 115 GLU HB3 H 1 2.30 0.04 . 2 . . . . . . . . . 4722 1 1323 . 1 1 115 115 GLU HG2 H 1 2.12 0.04 . 2 . . . . . . . . . 4722 1 1324 . 1 1 115 115 GLU HG3 H 1 2.30 0.04 . 2 . . . . . . . . . 4722 1 1325 . 1 1 115 115 GLU C C 13 175.3 0.2 . 1 . . . . . . . . . 4722 1 1326 . 1 1 115 115 GLU CA C 13 56.9 0.5 . 1 . . . . . . . . . 4722 1 1327 . 1 1 115 115 GLU CB C 13 29.9 0.5 . 1 . . . . . . . . . 4722 1 1328 . 1 1 115 115 GLU CG C 13 36.6 0.5 . 1 . . . . . . . . . 4722 1 1329 . 1 1 115 115 GLU N N 15 117.4 0.2 . 1 . . . . . . . . . 4722 1 1330 . 1 1 116 116 ARG H H 1 7.18 0.01 . 1 . . . . . . . . . 4722 1 1331 . 1 1 116 116 ARG HA H 1 4.59 0.04 . 1 . . . . . . . . . 4722 1 1332 . 1 1 116 116 ARG HB2 H 1 1.61 0.04 . 1 . . . . . . . . . 4722 1 1333 . 1 1 116 116 ARG HB3 H 1 1.61 0.04 . 1 . . . . . . . . . 4722 1 1334 . 1 1 116 116 ARG HG2 H 1 1.58 0.04 . 1 . . . . . . . . . 4722 1 1335 . 1 1 116 116 ARG HG3 H 1 1.58 0.04 . 1 . . . . . . . . . 4722 1 1336 . 1 1 116 116 ARG HD2 H 1 3.08 0.04 . 2 . . . . . . . . . 4722 1 1337 . 1 1 116 116 ARG HD3 H 1 3.19 0.04 . 2 . . . . . . . . . 4722 1 1338 . 1 1 116 116 ARG CA C 13 53.6 0.5 . 1 . . . . . . . . . 4722 1 1339 . 1 1 116 116 ARG CB C 13 31.5 0.5 . 1 . . . . . . . . . 4722 1 1340 . 1 1 116 116 ARG CG C 13 29.3 0.5 . 1 . . . . . . . . . 4722 1 1341 . 1 1 116 116 ARG CD C 13 44.8 0.5 . 1 . . . . . . . . . 4722 1 1342 . 1 1 116 116 ARG N N 15 120.6 0.2 . 1 . . . . . . . . . 4722 1 1343 . 1 1 117 117 PRO HA H 1 4.00 0.04 . 1 . . . . . . . . . 4722 1 1344 . 1 1 117 117 PRO HB2 H 1 1.06 0.04 . 2 . . . . . . . . . 4722 1 1345 . 1 1 117 117 PRO HB3 H 1 1.97 0.04 . 2 . . . . . . . . . 4722 1 1346 . 1 1 117 117 PRO HG2 H 1 0.54 0.04 . 2 . . . . . . . . . 4722 1 1347 . 1 1 117 117 PRO HG3 H 1 0.93 0.04 . 2 . . . . . . . . . 4722 1 1348 . 1 1 117 117 PRO HD2 H 1 3.24 0.04 . 2 . . . . . . . . . 4722 1 1349 . 1 1 117 117 PRO HD3 H 1 3.36 0.04 . 2 . . . . . . . . . 4722 1 1350 . 1 1 117 117 PRO C C 13 172.1 0.2 . 1 . . . . . . . . . 4722 1 1351 . 1 1 117 117 PRO CA C 13 65.1 0.5 . 1 . . . . . . . . . 4722 1 1352 . 1 1 117 117 PRO CB C 13 32.7 0.5 . 1 . . . . . . . . . 4722 1 1353 . 1 1 117 117 PRO CG C 13 27.7 0.5 . 1 . . . . . . . . . 4722 1 1354 . 1 1 117 117 PRO CD C 13 51.3 0.5 . 1 . . . . . . . . . 4722 1 1355 . 1 1 118 118 LEU H H 1 8.45 0.01 . 1 . . . . . . . . . 4722 1 1356 . 1 1 118 118 LEU HA H 1 3.91 0.04 . 1 . . . . . . . . . 4722 1 1357 . 1 1 118 118 LEU HB2 H 1 1.36 0.04 . 2 . . . . . . . . . 4722 1 1358 . 1 1 118 118 LEU HB3 H 1 1.48 0.04 . 2 . . . . . . . . . 4722 1 1359 . 1 1 118 118 LEU HD11 H 1 0.90 0.04 . 2 . . . . . . . . . 4722 1 1360 . 1 1 118 118 LEU HD12 H 1 0.90 0.04 . 2 . . . . . . . . . 4722 1 1361 . 1 1 118 118 LEU HD13 H 1 0.90 0.04 . 2 . . . . . . . . . 4722 1 1362 . 1 1 118 118 LEU HD21 H 1 0.85 0.04 . 2 . . . . . . . . . 4722 1 1363 . 1 1 118 118 LEU HD22 H 1 0.85 0.04 . 2 . . . . . . . . . 4722 1 1364 . 1 1 118 118 LEU HD23 H 1 0.85 0.04 . 2 . . . . . . . . . 4722 1 1365 . 1 1 118 118 LEU C C 13 172.9 0.2 . 1 . . . . . . . . . 4722 1 1366 . 1 1 118 118 LEU CA C 13 59.0 0.5 . 1 . . . . . . . . . 4722 1 1367 . 1 1 118 118 LEU CB C 13 40.7 0.5 . 1 . . . . . . . . . 4722 1 1368 . 1 1 118 118 LEU CD1 C 13 26.1 0.5 . 2 . . . . . . . . . 4722 1 1369 . 1 1 118 118 LEU N N 15 119.4 0.2 . 1 . . . . . . . . . 4722 1 1370 . 1 1 119 119 LEU H H 1 7.54 0.01 . 1 . . . . . . . . . 4722 1 1371 . 1 1 119 119 LEU HA H 1 4.32 0.04 . 1 . . . . . . . . . 4722 1 1372 . 1 1 119 119 LEU HB2 H 1 1.83 0.04 . 1 . . . . . . . . . 4722 1 1373 . 1 1 119 119 LEU HB3 H 1 1.83 0.04 . 1 . . . . . . . . . 4722 1 1374 . 1 1 119 119 LEU HG H 1 1.71 0.04 . 1 . . . . . . . . . 4722 1 1375 . 1 1 119 119 LEU HD11 H 1 1.01 0.04 . 2 . . . . . . . . . 4722 1 1376 . 1 1 119 119 LEU HD12 H 1 1.01 0.04 . 2 . . . . . . . . . 4722 1 1377 . 1 1 119 119 LEU HD13 H 1 1.01 0.04 . 2 . . . . . . . . . 4722 1 1378 . 1 1 119 119 LEU HD21 H 1 1.08 0.04 . 2 . . . . . . . . . 4722 1 1379 . 1 1 119 119 LEU HD22 H 1 1.08 0.04 . 2 . . . . . . . . . 4722 1 1380 . 1 1 119 119 LEU HD23 H 1 1.08 0.04 . 2 . . . . . . . . . 4722 1 1381 . 1 1 119 119 LEU C C 13 173.3 0.2 . 1 . . . . . . . . . 4722 1 1382 . 1 1 119 119 LEU CA C 13 55.6 0.5 . 1 . . . . . . . . . 4722 1 1383 . 1 1 119 119 LEU CB C 13 39.7 0.5 . 1 . . . . . . . . . 4722 1 1384 . 1 1 119 119 LEU CD1 C 13 23.6 0.5 . 2 . . . . . . . . . 4722 1 1385 . 1 1 119 119 LEU CD2 C 13 26.9 0.5 . 2 . . . . . . . . . 4722 1 1386 . 1 1 119 119 LEU N N 15 113.9 0.2 . 1 . . . . . . . . . 4722 1 1387 . 1 1 120 120 LYS H H 1 7.16 0.01 . 1 . . . . . . . . . 4722 1 1388 . 1 1 120 120 LYS HA H 1 4.32 0.04 . 1 . . . . . . . . . 4722 1 1389 . 1 1 120 120 LYS HB2 H 1 1.79 0.04 . 2 . . . . . . . . . 4722 1 1390 . 1 1 120 120 LYS HB3 H 1 2.00 0.04 . 2 . . . . . . . . . 4722 1 1391 . 1 1 120 120 LYS HG2 H 1 1.45 0.04 . 1 . . . . . . . . . 4722 1 1392 . 1 1 120 120 LYS HG3 H 1 1.45 0.04 . 1 . . . . . . . . . 4722 1 1393 . 1 1 120 120 LYS HD2 H 1 1.68 0.04 . 1 . . . . . . . . . 4722 1 1394 . 1 1 120 120 LYS HD3 H 1 1.68 0.04 . 1 . . . . . . . . . 4722 1 1395 . 1 1 120 120 LYS HE2 H 1 2.99 0.04 . 1 . . . . . . . . . 4722 1 1396 . 1 1 120 120 LYS HE3 H 1 2.99 0.04 . 1 . . . . . . . . . 4722 1 1397 . 1 1 120 120 LYS C C 13 173.3 0.2 . 1 . . . . . . . . . 4722 1 1398 . 1 1 120 120 LYS CA C 13 56.7 0.5 . 1 . . . . . . . . . 4722 1 1399 . 1 1 120 120 LYS CB C 13 32.4 0.5 . 1 . . . . . . . . . 4722 1 1400 . 1 1 120 120 LYS CG C 13 26.1 0.5 . 1 . . . . . . . . . 4722 1 1401 . 1 1 120 120 LYS CD C 13 29.3 0.5 . 1 . . . . . . . . . 4722 1 1402 . 1 1 120 120 LYS CE C 13 43.1 0.5 . 1 . . . . . . . . . 4722 1 1403 . 1 1 120 120 LYS N N 15 118.1 0.2 . 1 . . . . . . . . . 4722 1 1404 . 1 1 121 121 ARG H H 1 7.54 0.01 . 1 . . . . . . . . . 4722 1 1405 . 1 1 121 121 ARG HA H 1 4.50 0.04 . 1 . . . . . . . . . 4722 1 1406 . 1 1 121 121 ARG HB2 H 1 1.83 0.04 . 1 . . . . . . . . . 4722 1 1407 . 1 1 121 121 ARG HB3 H 1 1.83 0.04 . 1 . . . . . . . . . 4722 1 1408 . 1 1 121 121 ARG HG2 H 1 1.96 0.04 . 1 . . . . . . . . . 4722 1 1409 . 1 1 121 121 ARG HG3 H 1 1.96 0.04 . 1 . . . . . . . . . 4722 1 1410 . 1 1 121 121 ARG HD2 H 1 3.11 0.04 . 2 . . . . . . . . . 4722 1 1411 . 1 1 121 121 ARG HD3 H 1 3.33 0.04 . 2 . . . . . . . . . 4722 1 1412 . 1 1 121 121 ARG CA C 13 54.8 0.5 . 1 . . . . . . . . . 4722 1 1413 . 1 1 121 121 ARG CB C 13 28.6 0.5 . 1 . . . . . . . . . 4722 1 1414 . 1 1 121 121 ARG CG C 13 29.3 0.5 . 1 . . . . . . . . . 4722 1 1415 . 1 1 121 121 ARG CD C 13 43.9 0.5 . 1 . . . . . . . . . 4722 1 1416 . 1 1 121 121 ARG N N 15 120.8 0.2 . 1 . . . . . . . . . 4722 1 1417 . 1 1 122 122 PRO HA H 1 4.47 0.04 . 1 . . . . . . . . . 4722 1 1418 . 1 1 122 122 PRO HB2 H 1 2.03 0.04 . 2 . . . . . . . . . 4722 1 1419 . 1 1 122 122 PRO HB3 H 1 2.55 0.04 . 2 . . . . . . . . . 4722 1 1420 . 1 1 122 122 PRO HG2 H 1 2.13 0.04 . 2 . . . . . . . . . 4722 1 1421 . 1 1 122 122 PRO HG3 H 1 2.23 0.04 . 2 . . . . . . . . . 4722 1 1422 . 1 1 122 122 PRO HD2 H 1 3.64 0.04 . 2 . . . . . . . . . 4722 1 1423 . 1 1 122 122 PRO HD3 H 1 3.86 0.04 . 2 . . . . . . . . . 4722 1 1424 . 1 1 122 122 PRO C C 13 172.7 0.2 . 1 . . . . . . . . . 4722 1 1425 . 1 1 122 122 PRO CA C 13 63.0 0.5 . 1 . . . . . . . . . 4722 1 1426 . 1 1 122 122 PRO CB C 13 33.1 0.5 . 1 . . . . . . . . . 4722 1 1427 . 1 1 122 122 PRO CG C 13 29.3 0.5 . 1 . . . . . . . . . 4722 1 1428 . 1 1 122 122 PRO CD C 13 51.3 0.5 . 1 . . . . . . . . . 4722 1 1429 . 1 1 123 123 LEU H H 1 8.74 0.01 . 1 . . . . . . . . . 4722 1 1430 . 1 1 123 123 LEU HA H 1 4.18 0.04 . 1 . . . . . . . . . 4722 1 1431 . 1 1 123 123 LEU HB2 H 1 1.86 0.04 . 1 . . . . . . . . . 4722 1 1432 . 1 1 123 123 LEU HB3 H 1 1.86 0.04 . 1 . . . . . . . . . 4722 1 1433 . 1 1 123 123 LEU HG H 1 1.91 0.04 . 1 . . . . . . . . . 4722 1 1434 . 1 1 123 123 LEU HD11 H 1 1.10 0.04 . 2 . . . . . . . . . 4722 1 1435 . 1 1 123 123 LEU HD12 H 1 1.10 0.04 . 2 . . . . . . . . . 4722 1 1436 . 1 1 123 123 LEU HD13 H 1 1.10 0.04 . 2 . . . . . . . . . 4722 1 1437 . 1 1 123 123 LEU HD21 H 1 1.21 0.04 . 2 . . . . . . . . . 4722 1 1438 . 1 1 123 123 LEU HD22 H 1 1.21 0.04 . 2 . . . . . . . . . 4722 1 1439 . 1 1 123 123 LEU HD23 H 1 1.21 0.04 . 2 . . . . . . . . . 4722 1 1440 . 1 1 123 123 LEU C C 13 171.9 0.2 . 1 . . . . . . . . . 4722 1 1441 . 1 1 123 123 LEU CA C 13 58.7 0.5 . 1 . . . . . . . . . 4722 1 1442 . 1 1 123 123 LEU CB C 13 42.2 0.5 . 1 . . . . . . . . . 4722 1 1443 . 1 1 123 123 LEU CG C 13 27.7 0.5 . 1 . . . . . . . . . 4722 1 1444 . 1 1 123 123 LEU CD1 C 13 24.4 0.5 . 2 . . . . . . . . . 4722 1 1445 . 1 1 123 123 LEU CD2 C 13 26.1 0.5 . 2 . . . . . . . . . 4722 1 1446 . 1 1 123 123 LEU N N 15 125.6 0.2 . 1 . . . . . . . . . 4722 1 1447 . 1 1 124 124 ASP H H 1 8.90 0.01 . 1 . . . . . . . . . 4722 1 1448 . 1 1 124 124 ASP HA H 1 5.13 0.04 . 1 . . . . . . . . . 4722 1 1449 . 1 1 124 124 ASP HB2 H 1 2.58 0.04 . 2 . . . . . . . . . 4722 1 1450 . 1 1 124 124 ASP HB3 H 1 2.81 0.04 . 2 . . . . . . . . . 4722 1 1451 . 1 1 124 124 ASP C C 13 177.8 0.2 . 9 . . . . . . . . . 4722 1 1452 . 1 1 124 124 ASP CA C 13 57.6 0.5 . 1 . . . . . . . . . 4722 1 1453 . 1 1 124 124 ASP CB C 13 40.6 0.5 . 1 . . . . . . . . . 4722 1 1454 . 1 1 124 124 ASP N N 15 116.8 0.2 . 1 . . . . . . . . . 4722 1 1455 . 1 1 125 125 GLU H H 1 7.38 0.01 . 1 . . . . . . . . . 4722 1 1456 . 1 1 125 125 GLU C C 13 170.9 0.2 . 1 . . . . . . . . . 4722 1 1457 . 1 1 125 125 GLU CA C 13 59.7 0.5 . 1 . . . . . . . . . 4722 1 1458 . 1 1 125 125 GLU CB C 13 30.4 0.5 . 1 . . . . . . . . . 4722 1 1459 . 1 1 125 125 GLU N N 15 120.5 0.2 . 1 . . . . . . . . . 4722 1 1460 . 1 1 126 126 ILE H H 1 8.00 0.01 . 1 . . . . . . . . . 4722 1 1461 . 1 1 126 126 ILE HA H 1 3.89 0.04 . 1 . . . . . . . . . 4722 1 1462 . 1 1 126 126 ILE HB H 1 2.40 0.04 . 1 . . . . . . . . . 4722 1 1463 . 1 1 126 126 ILE HG12 H 1 1.30 0.04 . 2 . . . . . . . . . 4722 1 1464 . 1 1 126 126 ILE HG13 H 1 1.77 0.04 . 2 . . . . . . . . . 4722 1 1465 . 1 1 126 126 ILE HG21 H 1 1.28 0.04 . 1 . . . . . . . . . 4722 1 1466 . 1 1 126 126 ILE HG22 H 1 1.28 0.04 . 1 . . . . . . . . . 4722 1 1467 . 1 1 126 126 ILE HG23 H 1 1.28 0.04 . 1 . . . . . . . . . 4722 1 1468 . 1 1 126 126 ILE HD11 H 1 1.03 0.04 . 1 . . . . . . . . . 4722 1 1469 . 1 1 126 126 ILE HD12 H 1 1.03 0.04 . 1 . . . . . . . . . 4722 1 1470 . 1 1 126 126 ILE HD13 H 1 1.03 0.04 . 1 . . . . . . . . . 4722 1 1471 . 1 1 126 126 ILE C C 13 172.9 0.2 . 1 . . . . . . . . . 4722 1 1472 . 1 1 126 126 ILE CA C 13 64.3 0.5 . 1 . . . . . . . . . 4722 1 1473 . 1 1 126 126 ILE CB C 13 37.3 0.5 . 1 . . . . . . . . . 4722 1 1474 . 1 1 126 126 ILE CG1 C 13 29.3 0.5 . 1 . . . . . . . . . 4722 1 1475 . 1 1 126 126 ILE CG2 C 13 19.6 0.5 . 1 . . . . . . . . . 4722 1 1476 . 1 1 126 126 ILE CD1 C 13 13.1 0.5 . 1 . . . . . . . . . 4722 1 1477 . 1 1 126 126 ILE N N 15 123.0 0.2 . 1 . . . . . . . . . 4722 1 1478 . 1 1 127 127 LYS H H 1 8.84 0.01 . 1 . . . . . . . . . 4722 1 1479 . 1 1 127 127 LYS HA H 1 3.53 0.04 . 1 . . . . . . . . . 4722 1 1480 . 1 1 127 127 LYS HB2 H 1 1.45 0.04 . 2 . . . . . . . . . 4722 1 1481 . 1 1 127 127 LYS HB3 H 1 1.78 0.04 . 2 . . . . . . . . . 4722 1 1482 . 1 1 127 127 LYS HG2 H 1 1.04 0.04 . 2 . . . . . . . . . 4722 1 1483 . 1 1 127 127 LYS HG3 H 1 1.23 0.04 . 2 . . . . . . . . . 4722 1 1484 . 1 1 127 127 LYS HD2 H 1 0.53 0.04 . 2 . . . . . . . . . 4722 1 1485 . 1 1 127 127 LYS HD3 H 1 0.93 0.04 . 2 . . . . . . . . . 4722 1 1486 . 1 1 127 127 LYS HE2 H 1 2.65 0.04 . 1 . . . . . . . . . 4722 1 1487 . 1 1 127 127 LYS HE3 H 1 2.65 0.04 . 1 . . . . . . . . . 4722 1 1488 . 1 1 127 127 LYS C C 13 172.3 0.2 . 1 . . . . . . . . . 4722 1 1489 . 1 1 127 127 LYS CA C 13 59.6 0.5 . 1 . . . . . . . . . 4722 1 1490 . 1 1 127 127 LYS CB C 13 32.1 0.5 . 1 . . . . . . . . . 4722 1 1491 . 1 1 127 127 LYS CG C 13 29.3 0.5 . 1 . . . . . . . . . 4722 1 1492 . 1 1 127 127 LYS CD C 13 25.3 0.5 . 1 . . . . . . . . . 4722 1 1493 . 1 1 127 127 LYS CE C 13 43.1 0.5 . 1 . . . . . . . . . 4722 1 1494 . 1 1 127 127 LYS N N 15 122.9 0.2 . 1 . . . . . . . . . 4722 1 1495 . 1 1 128 128 ASN H H 1 7.62 0.01 . 1 . . . . . . . . . 4722 1 1496 . 1 1 128 128 ASN HA H 1 4.45 0.04 . 1 . . . . . . . . . 4722 1 1497 . 1 1 128 128 ASN HB2 H 1 2.82 0.04 . 2 . . . . . . . . . 4722 1 1498 . 1 1 128 128 ASN HB3 H 1 2.92 0.04 . 2 . . . . . . . . . 4722 1 1499 . 1 1 128 128 ASN HD21 H 1 6.94 0.04 . 2 . . . . . . . . . 4722 1 1500 . 1 1 128 128 ASN HD22 H 1 7.66 0.04 . 2 . . . . . . . . . 4722 1 1501 . 1 1 128 128 ASN C C 13 173.2 0.2 . 1 . . . . . . . . . 4722 1 1502 . 1 1 128 128 ASN CA C 13 56.7 0.5 . 1 . . . . . . . . . 4722 1 1503 . 1 1 128 128 ASN CB C 13 38.7 0.5 . 1 . . . . . . . . . 4722 1 1504 . 1 1 128 128 ASN N N 15 118.2 0.2 . 1 . . . . . . . . . 4722 1 1505 . 1 1 128 128 ASN ND2 N 15 113.9 0.2 . 1 . . . . . . . . . 4722 1 1506 . 1 1 129 129 LEU H H 1 8.18 0.01 . 1 . . . . . . . . . 4722 1 1507 . 1 1 129 129 LEU HA H 1 4.23 0.04 . 1 . . . . . . . . . 4722 1 1508 . 1 1 129 129 LEU HB2 H 1 1.92 0.04 . 2 . . . . . . . . . 4722 1 1509 . 1 1 129 129 LEU HB3 H 1 2.12 0.04 . 2 . . . . . . . . . 4722 1 1510 . 1 1 129 129 LEU HG H 1 1.67 0.04 . 1 . . . . . . . . . 4722 1 1511 . 1 1 129 129 LEU HD11 H 1 1.01 0.04 . 2 . . . . . . . . . 4722 1 1512 . 1 1 129 129 LEU HD12 H 1 1.01 0.04 . 2 . . . . . . . . . 4722 1 1513 . 1 1 129 129 LEU HD13 H 1 1.01 0.04 . 2 . . . . . . . . . 4722 1 1514 . 1 1 129 129 LEU HD21 H 1 1.06 0.04 . 2 . . . . . . . . . 4722 1 1515 . 1 1 129 129 LEU HD22 H 1 1.06 0.04 . 2 . . . . . . . . . 4722 1 1516 . 1 1 129 129 LEU HD23 H 1 1.06 0.04 . 2 . . . . . . . . . 4722 1 1517 . 1 1 129 129 LEU C C 13 172.3 0.2 . 1 . . . . . . . . . 4722 1 1518 . 1 1 129 129 LEU CA C 13 58.1 0.5 . 1 . . . . . . . . . 4722 1 1519 . 1 1 129 129 LEU CB C 13 43.2 0.5 . 1 . . . . . . . . . 4722 1 1520 . 1 1 129 129 LEU CG C 13 28.5 0.5 . 1 . . . . . . . . . 4722 1 1521 . 1 1 129 129 LEU CD1 C 13 24.4 0.5 . 2 . . . . . . . . . 4722 1 1522 . 1 1 129 129 LEU CD2 C 13 26.9 0.5 . 2 . . . . . . . . . 4722 1 1523 . 1 1 129 129 LEU N N 15 122.8 0.2 . 1 . . . . . . . . . 4722 1 1524 . 1 1 130 130 PHE H H 1 8.73 0.01 . 1 . . . . . . . . . 4722 1 1525 . 1 1 130 130 PHE HA H 1 3.55 0.04 . 1 . . . . . . . . . 4722 1 1526 . 1 1 130 130 PHE HB2 H 1 2.98 0.04 . 2 . . . . . . . . . 4722 1 1527 . 1 1 130 130 PHE HB3 H 1 3.12 0.04 . 2 . . . . . . . . . 4722 1 1528 . 1 1 130 130 PHE HD1 H 1 6.13 0.04 . 1 . . . . . . . . . 4722 1 1529 . 1 1 130 130 PHE HD2 H 1 6.13 0.04 . 1 . . . . . . . . . 4722 1 1530 . 1 1 130 130 PHE HE1 H 1 7.27 0.04 . 1 . . . . . . . . . 4722 1 1531 . 1 1 130 130 PHE HE2 H 1 7.27 0.04 . 1 . . . . . . . . . 4722 1 1532 . 1 1 130 130 PHE HZ H 1 7.96 0.04 . 1 . . . . . . . . . 4722 1 1533 . 1 1 130 130 PHE C C 13 173.4 0.2 . 1 . . . . . . . . . 4722 1 1534 . 1 1 130 130 PHE CA C 13 62.0 0.5 . 1 . . . . . . . . . 4722 1 1535 . 1 1 130 130 PHE CB C 13 39.2 0.5 . 1 . . . . . . . . . 4722 1 1536 . 1 1 130 130 PHE CD1 C 13 133.2 0.5 . 1 . . . . . . . . . 4722 1 1537 . 1 1 130 130 PHE CD2 C 13 133.2 0.5 . 1 . . . . . . . . . 4722 1 1538 . 1 1 130 130 PHE CE1 C 13 132.2 0.5 . 1 . . . . . . . . . 4722 1 1539 . 1 1 130 130 PHE CE2 C 13 132.2 0.5 . 1 . . . . . . . . . 4722 1 1540 . 1 1 130 130 PHE CZ C 13 135.2 0.5 . 1 . . . . . . . . . 4722 1 1541 . 1 1 130 130 PHE N N 15 120.9 0.2 . 1 . . . . . . . . . 4722 1 1542 . 1 1 131 131 GLU H H 1 8.04 0.01 . 1 . . . . . . . . . 4722 1 1543 . 1 1 131 131 GLU HA H 1 3.98 0.04 . 1 . . . . . . . . . 4722 1 1544 . 1 1 131 131 GLU HB2 H 1 2.16 0.04 . 1 . . . . . . . . . 4722 1 1545 . 1 1 131 131 GLU HB3 H 1 2.16 0.04 . 1 . . . . . . . . . 4722 1 1546 . 1 1 131 131 GLU HG2 H 1 2.46 0.04 . 2 . . . . . . . . . 4722 1 1547 . 1 1 131 131 GLU HG3 H 1 2.54 0.04 . 2 . . . . . . . . . 4722 1 1548 . 1 1 131 131 GLU C C 13 170.9 0.2 . 1 . . . . . . . . . 4722 1 1549 . 1 1 131 131 GLU CA C 13 59.4 0.5 . 1 . . . . . . . . . 4722 1 1550 . 1 1 131 131 GLU CB C 13 29.8 0.5 . 1 . . . . . . . . . 4722 1 1551 . 1 1 131 131 GLU CG C 13 37.4 0.5 . 1 . . . . . . . . . 4722 1 1552 . 1 1 131 131 GLU N N 15 118.9 0.2 . 1 . . . . . . . . . 4722 1 1553 . 1 1 132 132 GLU H H 1 8.41 0.01 . 1 . . . . . . . . . 4722 1 1554 . 1 1 132 132 GLU HA H 1 4.03 0.04 . 1 . . . . . . . . . 4722 1 1555 . 1 1 132 132 GLU HB2 H 1 2.12 0.04 . 1 . . . . . . . . . 4722 1 1556 . 1 1 132 132 GLU HB3 H 1 2.12 0.04 . 1 . . . . . . . . . 4722 1 1557 . 1 1 132 132 GLU HG2 H 1 2.33 0.04 . 1 . . . . . . . . . 4722 1 1558 . 1 1 132 132 GLU HG3 H 1 2.33 0.04 . 1 . . . . . . . . . 4722 1 1559 . 1 1 132 132 GLU C C 13 170.2 0.2 . 1 . . . . . . . . . 4722 1 1560 . 1 1 132 132 GLU CA C 13 59.2 0.5 . 1 . . . . . . . . . 4722 1 1561 . 1 1 132 132 GLU CB C 13 30.0 0.5 . 1 . . . . . . . . . 4722 1 1562 . 1 1 132 132 GLU CG C 13 36.6 0.5 . 1 . . . . . . . . . 4722 1 1563 . 1 1 132 132 GLU N N 15 120.6 0.2 . 1 . . . . . . . . . 4722 1 1564 . 1 1 133 133 ARG H H 1 8.83 0.01 . 1 . . . . . . . . . 4722 1 1565 . 1 1 133 133 ARG HA H 1 3.65 0.04 . 1 . . . . . . . . . 4722 1 1566 . 1 1 133 133 ARG HB2 H 1 1.61 0.04 . 1 . . . . . . . . . 4722 1 1567 . 1 1 133 133 ARG HB3 H 1 1.61 0.04 . 1 . . . . . . . . . 4722 1 1568 . 1 1 133 133 ARG HD2 H 1 2.98 0.04 . 2 . . . . . . . . . 4722 1 1569 . 1 1 133 133 ARG HD3 H 1 3.21 0.04 . 2 . . . . . . . . . 4722 1 1570 . 1 1 133 133 ARG C C 13 172.2 0.2 . 1 . . . . . . . . . 4722 1 1571 . 1 1 133 133 ARG CA C 13 59.6 0.5 . 1 . . . . . . . . . 4722 1 1572 . 1 1 133 133 ARG CB C 13 31.5 0.5 . 1 . . . . . . . . . 4722 1 1573 . 1 1 133 133 ARG CD C 13 45.6 0.5 . 1 . . . . . . . . . 4722 1 1574 . 1 1 133 133 ARG N N 15 119.0 0.2 . 1 . . . . . . . . . 4722 1 1575 . 1 1 134 134 ARG H H 1 7.76 0.01 . 1 . . . . . . . . . 4722 1 1576 . 1 1 134 134 ARG HA H 1 3.73 0.04 . 1 . . . . . . . . . 4722 1 1577 . 1 1 134 134 ARG HB2 H 1 1.79 0.04 . 1 . . . . . . . . . 4722 1 1578 . 1 1 134 134 ARG HB3 H 1 1.79 0.04 . 1 . . . . . . . . . 4722 1 1579 . 1 1 134 134 ARG HG2 H 1 1.72 0.04 . 1 . . . . . . . . . 4722 1 1580 . 1 1 134 134 ARG HG3 H 1 1.72 0.04 . 1 . . . . . . . . . 4722 1 1581 . 1 1 134 134 ARG HD2 H 1 2.98 0.04 . 2 . . . . . . . . . 4722 1 1582 . 1 1 134 134 ARG HD3 H 1 3.23 0.04 . 2 . . . . . . . . . 4722 1 1583 . 1 1 134 134 ARG C C 13 172.4 0.2 . 1 . . . . . . . . . 4722 1 1584 . 1 1 134 134 ARG CA C 13 60.3 0.5 . 1 . . . . . . . . . 4722 1 1585 . 1 1 134 134 ARG CB C 13 29.7 0.5 . 1 . . . . . . . . . 4722 1 1586 . 1 1 134 134 ARG CG C 13 27.7 0.5 . 1 . . . . . . . . . 4722 1 1587 . 1 1 134 134 ARG CD C 13 44.8 0.5 . 1 . . . . . . . . . 4722 1 1588 . 1 1 134 134 ARG N N 15 119.8 0.2 . 1 . . . . . . . . . 4722 1 1589 . 1 1 135 135 LYS H H 1 6.97 0.01 . 1 . . . . . . . . . 4722 1 1590 . 1 1 135 135 LYS HA H 1 3.96 0.04 . 1 . . . . . . . . . 4722 1 1591 . 1 1 135 135 LYS HB2 H 1 1.83 0.04 . 1 . . . . . . . . . 4722 1 1592 . 1 1 135 135 LYS HB3 H 1 1.83 0.04 . 1 . . . . . . . . . 4722 1 1593 . 1 1 135 135 LYS HG2 H 1 1.44 0.04 . 2 . . . . . . . . . 4722 1 1594 . 1 1 135 135 LYS HG3 H 1 1.64 0.04 . 2 . . . . . . . . . 4722 1 1595 . 1 1 135 135 LYS HE2 H 1 2.99 0.04 . 1 . . . . . . . . . 4722 1 1596 . 1 1 135 135 LYS HE3 H 1 2.99 0.04 . 1 . . . . . . . . . 4722 1 1597 . 1 1 135 135 LYS C C 13 173.4 0.2 . 1 . . . . . . . . . 4722 1 1598 . 1 1 135 135 LYS CA C 13 59.2 0.5 . 1 . . . . . . . . . 4722 1 1599 . 1 1 135 135 LYS CB C 13 32.9 0.5 . 1 . . . . . . . . . 4722 1 1600 . 1 1 135 135 LYS CG C 13 26.9 0.5 . 1 . . . . . . . . . 4722 1 1601 . 1 1 135 135 LYS CE C 13 43.1 0.5 . 1 . . . . . . . . . 4722 1 1602 . 1 1 135 135 LYS N N 15 117.2 0.2 . 1 . . . . . . . . . 4722 1 1603 . 1 1 136 136 ILE H H 1 7.13 0.01 . 1 . . . . . . . . . 4722 1 1604 . 1 1 136 136 ILE HA H 1 3.79 0.04 . 1 . . . . . . . . . 4722 1 1605 . 1 1 136 136 ILE HB H 1 1.66 0.04 . 1 . . . . . . . . . 4722 1 1606 . 1 1 136 136 ILE HG12 H 1 1.28 0.04 . 2 . . . . . . . . . 4722 1 1607 . 1 1 136 136 ILE HG13 H 1 1.42 0.04 . 2 . . . . . . . . . 4722 1 1608 . 1 1 136 136 ILE HG21 H 1 0.74 0.04 . 1 . . . . . . . . . 4722 1 1609 . 1 1 136 136 ILE HG22 H 1 0.74 0.04 . 1 . . . . . . . . . 4722 1 1610 . 1 1 136 136 ILE HG23 H 1 0.74 0.04 . 1 . . . . . . . . . 4722 1 1611 . 1 1 136 136 ILE HD11 H 1 0.70 0.04 . 1 . . . . . . . . . 4722 1 1612 . 1 1 136 136 ILE HD12 H 1 0.70 0.04 . 1 . . . . . . . . . 4722 1 1613 . 1 1 136 136 ILE HD13 H 1 0.70 0.04 . 1 . . . . . . . . . 4722 1 1614 . 1 1 136 136 ILE C C 13 173.0 0.2 . 1 . . . . . . . . . 4722 1 1615 . 1 1 136 136 ILE CA C 13 62.5 0.5 . 1 . . . . . . . . . 4722 1 1616 . 1 1 136 136 ILE CB C 13 37.3 0.5 . 1 . . . . . . . . . 4722 1 1617 . 1 1 136 136 ILE CG1 C 13 28.5 0.5 . 1 . . . . . . . . . 4722 1 1618 . 1 1 136 136 ILE CG2 C 13 18.8 0.5 . 1 . . . . . . . . . 4722 1 1619 . 1 1 136 136 ILE CD1 C 13 11.4 0.5 . 1 . . . . . . . . . 4722 1 1620 . 1 1 136 136 ILE N N 15 119.3 0.2 . 1 . . . . . . . . . 4722 1 1621 . 1 1 137 137 TYR H H 1 8.14 0.01 . 1 . . . . . . . . . 4722 1 1622 . 1 1 137 137 TYR HA H 1 3.95 0.04 . 1 . . . . . . . . . 4722 1 1623 . 1 1 137 137 TYR HB2 H 1 1.19 0.04 . 2 . . . . . . . . . 4722 1 1624 . 1 1 137 137 TYR HB3 H 1 1.46 0.04 . 2 . . . . . . . . . 4722 1 1625 . 1 1 137 137 TYR HD1 H 1 6.46 0.04 . 1 . . . . . . . . . 4722 1 1626 . 1 1 137 137 TYR HD2 H 1 6.46 0.04 . 1 . . . . . . . . . 4722 1 1627 . 1 1 137 137 TYR HE1 H 1 6.70 0.04 . 1 . . . . . . . . . 4722 1 1628 . 1 1 137 137 TYR HE2 H 1 6.70 0.04 . 1 . . . . . . . . . 4722 1 1629 . 1 1 137 137 TYR C C 13 172.9 0.2 . 1 . . . . . . . . . 4722 1 1630 . 1 1 137 137 TYR CA C 13 57.5 0.5 . 1 . . . . . . . . . 4722 1 1631 . 1 1 137 137 TYR CB C 13 36.3 0.5 . 1 . . . . . . . . . 4722 1 1632 . 1 1 137 137 TYR CD1 C 13 134.4 0.5 . 1 . . . . . . . . . 4722 1 1633 . 1 1 137 137 TYR CD2 C 13 134.4 0.5 . 1 . . . . . . . . . 4722 1 1634 . 1 1 137 137 TYR CE1 C 13 118.6 0.5 . 1 . . . . . . . . . 4722 1 1635 . 1 1 137 137 TYR CE2 C 13 118.6 0.5 . 1 . . . . . . . . . 4722 1 1636 . 1 1 137 137 TYR N N 15 118.2 0.2 . 1 . . . . . . . . . 4722 1 1637 . 1 1 138 138 SER H H 1 7.22 0.01 . 1 . . . . . . . . . 4722 1 1638 . 1 1 138 138 SER HA H 1 4.10 0.04 . 1 . . . . . . . . . 4722 1 1639 . 1 1 138 138 SER HB2 H 1 3.99 0.04 . 1 . . . . . . . . . 4722 1 1640 . 1 1 138 138 SER HB3 H 1 3.99 0.04 . 1 . . . . . . . . . 4722 1 1641 . 1 1 138 138 SER C C 13 176.5 0.2 . 1 . . . . . . . . . 4722 1 1642 . 1 1 138 138 SER CA C 13 61.5 0.5 . 1 . . . . . . . . . 4722 1 1643 . 1 1 138 138 SER CB C 13 64.3 0.5 . 1 . . . . . . . . . 4722 1 1644 . 1 1 138 138 SER N N 15 131.1 0.2 . 1 . . . . . . . . . 4722 1 1645 . 1 1 139 139 LYS H H 1 7.82 0.01 . 1 . . . . . . . . . 4722 1 1646 . 1 1 139 139 LYS HA H 1 4.30 0.04 . 1 . . . . . . . . . 4722 1 1647 . 1 1 139 139 LYS HB2 H 1 1.92 0.04 . 1 . . . . . . . . . 4722 1 1648 . 1 1 139 139 LYS HB3 H 1 1.92 0.04 . 1 . . . . . . . . . 4722 1 1649 . 1 1 139 139 LYS HG2 H 1 1.35 0.04 . 2 . . . . . . . . . 4722 1 1650 . 1 1 139 139 LYS HG3 H 1 1.65 0.04 . 2 . . . . . . . . . 4722 1 1651 . 1 1 139 139 LYS HE2 H 1 2.98 0.04 . 1 . . . . . . . . . 4722 1 1652 . 1 1 139 139 LYS HE3 H 1 2.98 0.04 . 1 . . . . . . . . . 4722 1 1653 . 1 1 139 139 LYS C C 13 174.8 0.2 . 1 . . . . . . . . . 4722 1 1654 . 1 1 139 139 LYS CA C 13 57.1 0.5 . 1 . . . . . . . . . 4722 1 1655 . 1 1 139 139 LYS CB C 13 31.9 0.5 . 1 . . . . . . . . . 4722 1 1656 . 1 1 139 139 LYS CG C 13 26.9 0.5 . 1 . . . . . . . . . 4722 1 1657 . 1 1 139 139 LYS CE C 13 43.1 0.5 . 1 . . . . . . . . . 4722 1 1658 . 1 1 139 139 LYS N N 15 122.2 0.2 . 1 . . . . . . . . . 4722 1 1659 . 1 1 140 140 ALA H H 1 7.78 0.01 . 1 . . . . . . . . . 4722 1 1660 . 1 1 140 140 ALA HA H 1 4.20 0.5 . 1 . . . . . . . . . 4722 1 1661 . 1 1 140 140 ALA HB1 H 1 1.57 0.5 . 1 . . . . . . . . . 4722 1 1662 . 1 1 140 140 ALA HB2 H 1 1.57 0.5 . 1 . . . . . . . . . 4722 1 1663 . 1 1 140 140 ALA HB3 H 1 1.57 0.5 . 1 . . . . . . . . . 4722 1 1664 . 1 1 140 140 ALA C C 13 174.5 0.2 . 1 . . . . . . . . . 4722 1 1665 . 1 1 140 140 ALA CA C 13 52.3 0.5 . 1 . . . . . . . . . 4722 1 1666 . 1 1 140 140 ALA CB C 13 20.8 0.5 . 1 . . . . . . . . . 4722 1 1667 . 1 1 140 140 ALA N N 15 121.8 0.2 . 1 . . . . . . . . . 4722 1 1668 . 1 1 141 141 ASP H H 1 8.27 0.01 . 1 . . . . . . . . . 4722 1 1669 . 1 1 141 141 ASP HA H 1 4.41 0.04 . 1 . . . . . . . . . 4722 1 1670 . 1 1 141 141 ASP HB2 H 1 2.91 0.04 . 2 . . . . . . . . . 4722 1 1671 . 1 1 141 141 ASP HB3 H 1 3.30 0.04 . 2 . . . . . . . . . 4722 1 1672 . 1 1 141 141 ASP C C 13 174.0 0.2 . 1 . . . . . . . . . 4722 1 1673 . 1 1 141 141 ASP CA C 13 58.5 0.5 . 1 . . . . . . . . . 4722 1 1674 . 1 1 141 141 ASP CB C 13 42.7 0.5 . 1 . . . . . . . . . 4722 1 1675 . 1 1 141 141 ASP N N 15 120.3 0.2 . 1 . . . . . . . . . 4722 1 1676 . 1 1 142 142 ILE H H 1 8.23 0.01 . 1 . . . . . . . . . 4722 1 1677 . 1 1 142 142 ILE HA H 1 4.41 0.04 . 1 . . . . . . . . . 4722 1 1678 . 1 1 142 142 ILE HB H 1 1.77 0.04 . 1 . . . . . . . . . 4722 1 1679 . 1 1 142 142 ILE HG12 H 1 1.11 0.04 . 2 . . . . . . . . . 4722 1 1680 . 1 1 142 142 ILE HG13 H 1 1.47 0.04 . 2 . . . . . . . . . 4722 1 1681 . 1 1 142 142 ILE HG21 H 1 0.91 0.04 . 1 . . . . . . . . . 4722 1 1682 . 1 1 142 142 ILE HG22 H 1 0.91 0.04 . 1 . . . . . . . . . 4722 1 1683 . 1 1 142 142 ILE HG23 H 1 0.91 0.04 . 1 . . . . . . . . . 4722 1 1684 . 1 1 142 142 ILE HD11 H 1 0.79 0.04 . 1 . . . . . . . . . 4722 1 1685 . 1 1 142 142 ILE HD12 H 1 0.79 0.04 . 1 . . . . . . . . . 4722 1 1686 . 1 1 142 142 ILE HD13 H 1 0.79 0.04 . 1 . . . . . . . . . 4722 1 1687 . 1 1 142 142 ILE C C 13 177.4 0.2 . 1 . . . . . . . . . 4722 1 1688 . 1 1 142 142 ILE CA C 13 60.1 0.5 . 1 . . . . . . . . . 4722 1 1689 . 1 1 142 142 ILE CB C 13 42.7 0.5 . 1 . . . . . . . . . 4722 1 1690 . 1 1 142 142 ILE CG1 C 13 28.5 0.5 . 2 . . . . . . . . . 4722 1 1691 . 1 1 142 142 ILE CG2 C 13 18.8 0.5 . 2 . . . . . . . . . 4722 1 1692 . 1 1 142 142 ILE CD1 C 13 14.7 0.5 . 1 . . . . . . . . . 4722 1 1693 . 1 1 142 142 ILE N N 15 118.6 0.2 . 1 . . . . . . . . . 4722 1 1694 . 1 1 143 143 LYS H H 1 8.76 0.01 . 1 . . . . . . . . . 4722 1 1695 . 1 1 143 143 LYS HA H 1 5.43 0.04 . 1 . . . . . . . . . 4722 1 1696 . 1 1 143 143 LYS HB2 H 1 1.88 0.04 . 1 . . . . . . . . . 4722 1 1697 . 1 1 143 143 LYS HB3 H 1 1.88 0.04 . 1 . . . . . . . . . 4722 1 1698 . 1 1 143 143 LYS HG2 H 1 1.80 0.04 . 1 . . . . . . . . . 4722 1 1699 . 1 1 143 143 LYS HG3 H 1 1.80 0.04 . 1 . . . . . . . . . 4722 1 1700 . 1 1 143 143 LYS HD2 H 1 1.35 0.04 . 2 . . . . . . . . . 4722 1 1701 . 1 1 143 143 LYS HD3 H 1 1.40 0.04 . 2 . . . . . . . . . 4722 1 1702 . 1 1 143 143 LYS HE2 H 1 3.02 0.04 . 1 . . . . . . . . . 4722 1 1703 . 1 1 143 143 LYS HE3 H 1 3.02 0.04 . 1 . . . . . . . . . 4722 1 1704 . 1 1 143 143 LYS C C 13 175.2 0.2 . 1 . . . . . . . . . 4722 1 1705 . 1 1 143 143 LYS CA C 13 55.3 0.5 . 1 . . . . . . . . . 4722 1 1706 . 1 1 143 143 LYS CB C 13 34.2 0.5 . 1 . . . . . . . . . 4722 1 1707 . 1 1 143 143 LYS CG C 13 30.0 0.5 . 1 . . . . . . . . . 4722 1 1708 . 1 1 143 143 LYS CD C 13 25.3 0.5 . 1 . . . . . . . . . 4722 1 1709 . 1 1 143 143 LYS CE C 13 42.3 0.5 . 1 . . . . . . . . . 4722 1 1710 . 1 1 143 143 LYS N N 15 128.9 0.2 . 1 . . . . . . . . . 4722 1 1711 . 1 1 144 144 VAL H H 1 8.69 0.01 . 1 . . . . . . . . . 4722 1 1712 . 1 1 144 144 VAL HA H 1 4.79 0.04 . 1 . . . . . . . . . 4722 1 1713 . 1 1 144 144 VAL HB H 1 2.15 0.04 . 1 . . . . . . . . . 4722 1 1714 . 1 1 144 144 VAL HG11 H 1 0.72 0.04 . 2 . . . . . . . . . 4722 1 1715 . 1 1 144 144 VAL HG12 H 1 0.72 0.04 . 2 . . . . . . . . . 4722 1 1716 . 1 1 144 144 VAL HG13 H 1 0.72 0.04 . 2 . . . . . . . . . 4722 1 1717 . 1 1 144 144 VAL HG21 H 1 0.59 0.04 . 2 . . . . . . . . . 4722 1 1718 . 1 1 144 144 VAL HG22 H 1 0.59 0.04 . 2 . . . . . . . . . 4722 1 1719 . 1 1 144 144 VAL HG23 H 1 0.59 0.04 . 2 . . . . . . . . . 4722 1 1720 . 1 1 144 144 VAL C C 13 176.4 0.2 . 1 . . . . . . . . . 4722 1 1721 . 1 1 144 144 VAL CA C 13 59.0 0.5 . 1 . . . . . . . . . 4722 1 1722 . 1 1 144 144 VAL CB C 13 34.9 0.5 . 1 . . . . . . . . . 4722 1 1723 . 1 1 144 144 VAL CG1 C 13 22.8 0.5 . 2 . . . . . . . . . 4722 1 1724 . 1 1 144 144 VAL CG2 C 13 21.2 0.5 . 2 . . . . . . . . . 4722 1 1725 . 1 1 144 144 VAL N N 15 119.0 0.2 . 1 . . . . . . . . . 4722 1 1726 . 1 1 145 145 LYS H H 1 8.64 0.01 . 1 . . . . . . . . . 4722 1 1727 . 1 1 145 145 LYS HA H 1 4.49 0.04 . 1 . . . . . . . . . 4722 1 1728 . 1 1 145 145 LYS HB2 H 1 1.88 0.04 . 1 . . . . . . . . . 4722 1 1729 . 1 1 145 145 LYS HB3 H 1 1.88 0.04 . 1 . . . . . . . . . 4722 1 1730 . 1 1 145 145 LYS HG2 H 1 1.46 0.04 . 1 . . . . . . . . . 4722 1 1731 . 1 1 145 145 LYS HG3 H 1 1.63 0.04 . 1 . . . . . . . . . 4722 1 1732 . 1 1 145 145 LYS HE2 H 1 3.02 0.04 . 1 . . . . . . . . . 4722 1 1733 . 1 1 145 145 LYS HE3 H 1 3.02 0.04 . 1 . . . . . . . . . 4722 1 1734 . 1 1 145 145 LYS C C 13 173.4 0.2 . 1 . . . . . . . . . 4722 1 1735 . 1 1 145 145 LYS CA C 13 56.6 0.5 . 1 . . . . . . . . . 4722 1 1736 . 1 1 145 145 LYS CB C 13 31.9 0.5 . 1 . . . . . . . . . 4722 1 1737 . 1 1 145 145 LYS CG C 13 30.1 0.5 . 1 . . . . . . . . . 4722 1 1738 . 1 1 145 145 LYS CD C 13 25.3 0.5 . 1 . . . . . . . . . 4722 1 1739 . 1 1 145 145 LYS CE C 13 42.3 0.5 . 1 . . . . . . . . . 4722 1 1740 . 1 1 145 145 LYS N N 15 123.4 0.2 . 1 . . . . . . . . . 4722 1 1741 . 1 1 146 146 GLY H H 1 8.54 0.01 . 1 . . . . . . . . . 4722 1 1742 . 1 1 146 146 GLY HA2 H 1 3.29 0.04 . 2 . . . . . . . . . 4722 1 1743 . 1 1 146 146 GLY HA3 H 1 4.11 0.04 . 2 . . . . . . . . . 4722 1 1744 . 1 1 146 146 GLY C C 13 175.8 0.2 . 1 . . . . . . . . . 4722 1 1745 . 1 1 146 146 GLY CA C 13 46.5 0.5 . 1 . . . . . . . . . 4722 1 1746 . 1 1 146 146 GLY N N 15 109.6 0.2 . 1 . . . . . . . . . 4722 1 1747 . 1 1 147 147 GLU H H 1 10.22 0.01 . 1 . . . . . . . . . 4722 1 1748 . 1 1 147 147 GLU HA H 1 4.31 0.04 . 1 . . . . . . . . . 4722 1 1749 . 1 1 147 147 GLU HB2 H 1 2.18 0.04 . 1 . . . . . . . . . 4722 1 1750 . 1 1 147 147 GLU HB3 H 1 2.18 0.04 . 1 . . . . . . . . . 4722 1 1751 . 1 1 147 147 GLU HG2 H 1 2.18 0.04 . 2 . . . . . . . . . 4722 1 1752 . 1 1 147 147 GLU HG3 H 1 2.37 0.04 . 2 . . . . . . . . . 4722 1 1753 . 1 1 147 147 GLU C C 13 175.3 0.2 . 1 . . . . . . . . . 4722 1 1754 . 1 1 147 147 GLU CA C 13 57.1 0.5 . 1 . . . . . . . . . 4722 1 1755 . 1 1 147 147 GLU CB C 13 29.1 0.5 . 1 . . . . . . . . . 4722 1 1756 . 1 1 147 147 GLU CG C 13 37.4 0.5 . 1 . . . . . . . . . 4722 1 1757 . 1 1 147 147 GLU N N 15 124.1 0.2 . 1 . . . . . . . . . 4722 1 1758 . 1 1 148 148 LYS H H 1 7.11 0.01 . 1 . . . . . . . . . 4722 1 1759 . 1 1 148 148 LYS HA H 1 4.49 0.04 . 1 . . . . . . . . . 4722 1 1760 . 1 1 148 148 LYS HB2 H 1 1.60 0.04 . 2 . . . . . . . . . 4722 1 1761 . 1 1 148 148 LYS HB3 H 1 1.88 0.04 . 2 . . . . . . . . . 4722 1 1762 . 1 1 148 148 LYS HG2 H 1 1.36 0.04 . 2 . . . . . . . . . 4722 1 1763 . 1 1 148 148 LYS HG3 H 1 1.44 0.04 . 2 . . . . . . . . . 4722 1 1764 . 1 1 148 148 LYS HD2 H 1 1.71 0.04 . 1 . . . . . . . . . 4722 1 1765 . 1 1 148 148 LYS HD3 H 1 1.71 0.04 . 1 . . . . . . . . . 4722 1 1766 . 1 1 148 148 LYS HE2 H 1 2.94 0.04 . 1 . . . . . . . . . 4722 1 1767 . 1 1 148 148 LYS HE3 H 1 2.94 0.04 . 1 . . . . . . . . . 4722 1 1768 . 1 1 148 148 LYS CA C 13 54.7 0.5 . 1 . . . . . . . . . 4722 1 1769 . 1 1 148 148 LYS CB C 13 32.3 0.5 . 1 . . . . . . . . . 4722 1 1770 . 1 1 148 148 LYS CG C 13 26.1 0.5 . 1 . . . . . . . . . 4722 1 1771 . 1 1 148 148 LYS CD C 13 30.1 0.5 . 1 . . . . . . . . . 4722 1 1772 . 1 1 148 148 LYS CE C 13 43.1 0.5 . 1 . . . . . . . . . 4722 1 1773 . 1 1 148 148 LYS N N 15 122.1 0.2 . 1 . . . . . . . . . 4722 1 1774 . 1 1 149 149 PRO HA H 1 4.13 0.04 . 1 . . . . . . . . . 4722 1 1775 . 1 1 149 149 PRO HB2 H 1 2.07 0.04 . 2 . . . . . . . . . 4722 1 1776 . 1 1 149 149 PRO HB3 H 1 2.35 0.04 . 2 . . . . . . . . . 4722 1 1777 . 1 1 149 149 PRO HG2 H 1 2.01 0.04 . 1 . . . . . . . . . 4722 1 1778 . 1 1 149 149 PRO HG3 H 1 2.01 0.04 . 1 . . . . . . . . . 4722 1 1779 . 1 1 149 149 PRO HD2 H 1 3.36 0.04 . 2 . . . . . . . . . 4722 1 1780 . 1 1 149 149 PRO HD3 H 1 3.43 0.04 . 2 . . . . . . . . . 4722 1 1781 . 1 1 149 149 PRO CA C 13 64.3 0.5 . 1 . . . . . . . . . 4722 1 1782 . 1 1 149 149 PRO CB C 13 32.6 0.5 . 1 . . . . . . . . . 4722 1 1783 . 1 1 149 149 PRO CG C 13 26.9 0.5 . 1 . . . . . . . . . 4722 1 1784 . 1 1 149 149 PRO CD C 13 49.6 0.5 . 1 . . . . . . . . . 4722 1 1785 . 1 1 150 150 PRO HA H 1 4.12 0.04 . 1 . . . . . . . . . 4722 1 1786 . 1 1 150 150 PRO HB2 H 1 1.79 0.04 . 2 . . . . . . . . . 4722 1 1787 . 1 1 150 150 PRO HB3 H 1 2.12 0.04 . 2 . . . . . . . . . 4722 1 1788 . 1 1 150 150 PRO HG2 H 1 2.58 0.04 . 1 . . . . . . . . . 4722 1 1789 . 1 1 150 150 PRO HG3 H 1 2.58 0.04 . 1 . . . . . . . . . 4722 1 1790 . 1 1 150 150 PRO HD2 H 1 3.85 0.04 . 1 . . . . . . . . . 4722 1 1791 . 1 1 150 150 PRO HD3 H 1 3.85 0.04 . 1 . . . . . . . . . 4722 1 1792 . 1 1 150 150 PRO C C 13 172.9 0.2 . 1 . . . . . . . . . 4722 1 1793 . 1 1 150 150 PRO CA C 13 66.2 0.5 . 1 . . . . . . . . . 4722 1 1794 . 1 1 150 150 PRO CB C 13 32.3 0.5 . 1 . . . . . . . . . 4722 1 1795 . 1 1 150 150 PRO CD C 13 51.3 0.5 . 1 . . . . . . . . . 4722 1 1796 . 1 1 151 151 GLU H H 1 9.66 0.01 . 1 . . . . . . . . . 4722 1 1797 . 1 1 151 151 GLU HA H 1 3.87 0.04 . 1 . . . . . . . . . 4722 1 1798 . 1 1 151 151 GLU HB2 H 1 2.00 0.04 . 1 . . . . . . . . . 4722 1 1799 . 1 1 151 151 GLU HB3 H 1 2.00 0.04 . 1 . . . . . . . . . 4722 1 1800 . 1 1 151 151 GLU HG2 H 1 2.33 0.04 . 2 . . . . . . . . . 4722 1 1801 . 1 1 151 151 GLU HG3 H 1 2.37 0.04 . 2 . . . . . . . . . 4722 1 1802 . 1 1 151 151 GLU C C 13 171.0 0.2 . 1 . . . . . . . . . 4722 1 1803 . 1 1 151 151 GLU CA C 13 60.5 0.5 . 1 . . . . . . . . . 4722 1 1804 . 1 1 151 151 GLU CB C 13 28.7 0.5 . 1 . . . . . . . . . 4722 1 1805 . 1 1 151 151 GLU CG C 13 37.4 0.5 . 1 . . . . . . . . . 4722 1 1806 . 1 1 151 151 GLU N N 15 116.9 0.2 . 1 . . . . . . . . . 4722 1 1807 . 1 1 152 152 GLU H H 1 7.65 0.01 . 1 . . . . . . . . . 4722 1 1808 . 1 1 152 152 GLU HA H 1 4.15 0.04 . 1 . . . . . . . . . 4722 1 1809 . 1 1 152 152 GLU HB2 H 1 2.21 0.04 . 2 . . . . . . . . . 4722 1 1810 . 1 1 152 152 GLU HB3 H 1 2.37 0.04 . 2 . . . . . . . . . 4722 1 1811 . 1 1 152 152 GLU HG2 H 1 2.52 0.04 . 1 . . . . . . . . . 4722 1 1812 . 1 1 152 152 GLU HG3 H 1 2.52 0.04 . 1 . . . . . . . . . 4722 1 1813 . 1 1 152 152 GLU C C 13 171.7 0.2 . 1 . . . . . . . . . 4722 1 1814 . 1 1 152 152 GLU CA C 13 58.6 0.5 . 1 . . . . . . . . . 4722 1 1815 . 1 1 152 152 GLU CB C 13 30.0 0.5 . 1 . . . . . . . . . 4722 1 1816 . 1 1 152 152 GLU CG C 13 37.4 0.5 . 1 . . . . . . . . . 4722 1 1817 . 1 1 152 152 GLU N N 15 120.2 0.2 . 1 . . . . . . . . . 4722 1 1818 . 1 1 153 153 VAL H H 1 7.75 0.01 . 1 . . . . . . . . . 4722 1 1819 . 1 1 153 153 VAL HA H 1 3.84 0.04 . 1 . . . . . . . . . 4722 1 1820 . 1 1 153 153 VAL HB H 1 2.21 0.04 . 1 . . . . . . . . . 4722 1 1821 . 1 1 153 153 VAL HG11 H 1 0.88 0.04 . 2 . . . . . . . . . 4722 1 1822 . 1 1 153 153 VAL HG12 H 1 0.88 0.04 . 2 . . . . . . . . . 4722 1 1823 . 1 1 153 153 VAL HG13 H 1 0.88 0.04 . 2 . . . . . . . . . 4722 1 1824 . 1 1 153 153 VAL HG21 H 1 1.00 0.04 . 2 . . . . . . . . . 4722 1 1825 . 1 1 153 153 VAL HG22 H 1 1.00 0.04 . 2 . . . . . . . . . 4722 1 1826 . 1 1 153 153 VAL HG23 H 1 1.00 0.04 . 2 . . . . . . . . . 4722 1 1827 . 1 1 153 153 VAL C C 13 171.9 0.2 . 1 . . . . . . . . . 4722 1 1828 . 1 1 153 153 VAL CA C 13 66.4 0.5 . 1 . . . . . . . . . 4722 1 1829 . 1 1 153 153 VAL CB C 13 31.6 0.5 . 1 . . . . . . . . . 4722 1 1830 . 1 1 153 153 VAL CG1 C 13 23.6 0.5 . 1 . . . . . . . . . 4722 1 1831 . 1 1 153 153 VAL CG2 C 13 23.6 0.5 . 1 . . . . . . . . . 4722 1 1832 . 1 1 153 153 VAL N N 15 124.0 0.2 . 1 . . . . . . . . . 4722 1 1833 . 1 1 154 154 VAL H H 1 8.39 0.01 . 1 . . . . . . . . . 4722 1 1834 . 1 1 154 154 VAL HA H 1 3.32 0.04 . 1 . . . . . . . . . 4722 1 1835 . 1 1 154 154 VAL HB H 1 2.09 0.04 . 1 . . . . . . . . . 4722 1 1836 . 1 1 154 154 VAL HG11 H 1 1.10 0.04 . 2 . . . . . . . . . 4722 1 1837 . 1 1 154 154 VAL HG12 H 1 1.10 0.04 . 2 . . . . . . . . . 4722 1 1838 . 1 1 154 154 VAL HG13 H 1 1.10 0.04 . 2 . . . . . . . . . 4722 1 1839 . 1 1 154 154 VAL HG21 H 1 0.87 0.04 . 2 . . . . . . . . . 4722 1 1840 . 1 1 154 154 VAL HG22 H 1 0.87 0.04 . 2 . . . . . . . . . 4722 1 1841 . 1 1 154 154 VAL HG23 H 1 0.87 0.04 . 2 . . . . . . . . . 4722 1 1842 . 1 1 154 154 VAL C C 13 173.6 0.2 . 1 . . . . . . . . . 4722 1 1843 . 1 1 154 154 VAL CA C 13 67.9 0.5 . 1 . . . . . . . . . 4722 1 1844 . 1 1 154 154 VAL CB C 13 31.9 0.5 . 1 . . . . . . . . . 4722 1 1845 . 1 1 154 154 VAL CG1 C 13 26.9 0.5 . 2 . . . . . . . . . 4722 1 1846 . 1 1 154 154 VAL CG2 C 13 22.0 0.5 . 2 . . . . . . . . . 4722 1 1847 . 1 1 154 154 VAL N N 15 119.0 0.2 . 1 . . . . . . . . . 4722 1 1848 . 1 1 155 155 LYS H H 1 7.25 0.01 . 1 . . . . . . . . . 4722 1 1849 . 1 1 155 155 LYS HA H 1 3.91 0.04 . 1 . . . . . . . . . 4722 1 1850 . 1 1 155 155 LYS HB2 H 1 1.97 0.04 . 1 . . . . . . . . . 4722 1 1851 . 1 1 155 155 LYS HB3 H 1 1.97 0.04 . 1 . . . . . . . . . 4722 1 1852 . 1 1 155 155 LYS HG2 H 1 1.73 0.04 . 1 . . . . . . . . . 4722 1 1853 . 1 1 155 155 LYS HG3 H 1 1.73 0.04 . 1 . . . . . . . . . 4722 1 1854 . 1 1 155 155 LYS HD2 H 1 1.45 0.04 . 2 . . . . . . . . . 4722 1 1855 . 1 1 155 155 LYS HD3 H 1 1.66 0.04 . 2 . . . . . . . . . 4722 1 1856 . 1 1 155 155 LYS HE2 H 1 2.94 0.04 . 1 . . . . . . . . . 4722 1 1857 . 1 1 155 155 LYS HE3 H 1 2.94 0.04 . 1 . . . . . . . . . 4722 1 1858 . 1 1 155 155 LYS C C 13 172.1 0.2 . 1 . . . . . . . . . 4722 1 1859 . 1 1 155 155 LYS CA C 13 60.5 0.5 . 1 . . . . . . . . . 4722 1 1860 . 1 1 155 155 LYS CB C 13 32.5 0.5 . 1 . . . . . . . . . 4722 1 1861 . 1 1 155 155 LYS CG C 13 30.1 0.5 . 1 . . . . . . . . . 4722 1 1862 . 1 1 155 155 LYS CD C 13 26.1 0.5 . 1 . . . . . . . . . 4722 1 1863 . 1 1 155 155 LYS CE C 13 43.1 0.5 . 1 . . . . . . . . . 4722 1 1864 . 1 1 155 155 LYS N N 15 118.9 0.2 . 1 . . . . . . . . . 4722 1 1865 . 1 1 156 156 GLU H H 1 7.73 0.01 . 1 . . . . . . . . . 4722 1 1866 . 1 1 156 156 GLU HA H 1 4.03 0.04 . 1 . . . . . . . . . 4722 1 1867 . 1 1 156 156 GLU HB2 H 1 2.18 0.04 . 1 . . . . . . . . . 4722 1 1868 . 1 1 156 156 GLU HB3 H 1 2.18 0.04 . 1 . . . . . . . . . 4722 1 1869 . 1 1 156 156 GLU HG2 H 1 2.49 0.04 . 1 . . . . . . . . . 4722 1 1870 . 1 1 156 156 GLU HG3 H 1 2.49 0.04 . 1 . . . . . . . . . 4722 1 1871 . 1 1 156 156 GLU C C 13 170.6 0.2 . 1 . . . . . . . . . 4722 1 1872 . 1 1 156 156 GLU CA C 13 60.2 0.5 . 1 . . . . . . . . . 4722 1 1873 . 1 1 156 156 GLU CB C 13 29.5 0.5 . 1 . . . . . . . . . 4722 1 1874 . 1 1 156 156 GLU CG C 13 37.4 0.5 . 1 . . . . . . . . . 4722 1 1875 . 1 1 156 156 GLU N N 15 119.9 0.2 . 1 . . . . . . . . . 4722 1 1876 . 1 1 157 157 ILE H H 1 8.47 0.01 . 1 . . . . . . . . . 4722 1 1877 . 1 1 157 157 ILE HA H 1 3.40 0.04 . 1 . . . . . . . . . 4722 1 1878 . 1 1 157 157 ILE HB H 1 1.99 0.04 . 1 . . . . . . . . . 4722 1 1879 . 1 1 157 157 ILE HG12 H 1 2.11 0.04 . 1 . . . . . . . . . 4722 1 1880 . 1 1 157 157 ILE HG13 H 1 2.11 0.04 . 1 . . . . . . . . . 4722 1 1881 . 1 1 157 157 ILE HG21 H 1 0.80 0.04 . 1 . . . . . . . . . 4722 1 1882 . 1 1 157 157 ILE HG22 H 1 0.80 0.04 . 1 . . . . . . . . . 4722 1 1883 . 1 1 157 157 ILE HG23 H 1 0.80 0.04 . 1 . . . . . . . . . 4722 1 1884 . 1 1 157 157 ILE HD11 H 1 0.68 0.04 . 1 . . . . . . . . . 4722 1 1885 . 1 1 157 157 ILE HD12 H 1 0.68 0.04 . 1 . . . . . . . . . 4722 1 1886 . 1 1 157 157 ILE HD13 H 1 0.68 0.04 . 1 . . . . . . . . . 4722 1 1887 . 1 1 157 157 ILE C C 13 172.9 0.2 . 1 . . . . . . . . . 4722 1 1888 . 1 1 157 157 ILE CA C 13 66.9 0.5 . 1 . . . . . . . . . 4722 1 1889 . 1 1 157 157 ILE CB C 13 38.2 0.5 . 1 . . . . . . . . . 4722 1 1890 . 1 1 157 157 ILE CG1 C 13 30.9 0.5 . 2 . . . . . . . . . 4722 1 1891 . 1 1 157 157 ILE CG2 C 13 17.9 0.5 . 2 . . . . . . . . . 4722 1 1892 . 1 1 157 157 ILE CD1 C 13 16.3 0.5 . 1 . . . . . . . . . 4722 1 1893 . 1 1 157 157 ILE N N 15 121.8 0.2 . 1 . . . . . . . . . 4722 1 1894 . 1 1 158 158 LEU H H 1 8.62 0.01 . 1 . . . . . . . . . 4722 1 1895 . 1 1 158 158 LEU HA H 1 3.91 0.04 . 1 . . . . . . . . . 4722 1 1896 . 1 1 158 158 LEU HB2 H 1 1.95 0.04 . 1 . . . . . . . . . 4722 1 1897 . 1 1 158 158 LEU HB3 H 1 1.95 0.04 . 1 . . . . . . . . . 4722 1 1898 . 1 1 158 158 LEU HG H 1 1.44 0.04 . 1 . . . . . . . . . 4722 1 1899 . 1 1 158 158 LEU HD11 H 1 0.85 0.04 . 2 . . . . . . . . . 4722 1 1900 . 1 1 158 158 LEU HD12 H 1 0.85 0.04 . 2 . . . . . . . . . 4722 1 1901 . 1 1 158 158 LEU HD13 H 1 0.85 0.04 . 2 . . . . . . . . . 4722 1 1902 . 1 1 158 158 LEU HD21 H 1 0.80 0.04 . 2 . . . . . . . . . 4722 1 1903 . 1 1 158 158 LEU HD22 H 1 0.80 0.04 . 2 . . . . . . . . . 4722 1 1904 . 1 1 158 158 LEU HD23 H 1 0.80 0.04 . 2 . . . . . . . . . 4722 1 1905 . 1 1 158 158 LEU C C 13 170.5 0.2 . 1 . . . . . . . . . 4722 1 1906 . 1 1 158 158 LEU CA C 13 58.9 0.5 . 1 . . . . . . . . . 4722 1 1907 . 1 1 158 158 LEU CB C 13 41.7 0.5 . 1 . . . . . . . . . 4722 1 1908 . 1 1 158 158 LEU CD1 C 13 26.9 0.5 . 2 . . . . . . . . . 4722 1 1909 . 1 1 158 158 LEU CD2 C 13 23.6 0.5 . 2 . . . . . . . . . 4722 1 1910 . 1 1 158 158 LEU N N 15 119.8 0.2 . 1 . . . . . . . . . 4722 1 1911 . 1 1 159 159 LEU H H 1 7.97 0.01 . 1 . . . . . . . . . 4722 1 1912 . 1 1 159 159 LEU HA H 1 4.18 0.04 . 1 . . . . . . . . . 4722 1 1913 . 1 1 159 159 LEU HB2 H 1 1.66 0.04 . 2 . . . . . . . . . 4722 1 1914 . 1 1 159 159 LEU HB3 H 1 1.86 0.04 . 2 . . . . . . . . . 4722 1 1915 . 1 1 159 159 LEU HG H 1 1.84 0.04 . 1 . . . . . . . . . 4722 1 1916 . 1 1 159 159 LEU HD11 H 1 0.94 0.04 . 1 . . . . . . . . . 4722 1 1917 . 1 1 159 159 LEU HD12 H 1 0.94 0.04 . 1 . . . . . . . . . 4722 1 1918 . 1 1 159 159 LEU HD13 H 1 0.94 0.04 . 1 . . . . . . . . . 4722 1 1919 . 1 1 159 159 LEU HD21 H 1 0.94 0.04 . 1 . . . . . . . . . 4722 1 1920 . 1 1 159 159 LEU HD22 H 1 0.94 0.04 . 1 . . . . . . . . . 4722 1 1921 . 1 1 159 159 LEU HD23 H 1 0.94 0.04 . 1 . . . . . . . . . 4722 1 1922 . 1 1 159 159 LEU C C 13 170.6 0.2 . 1 . . . . . . . . . 4722 1 1923 . 1 1 159 159 LEU CA C 13 58.1 0.5 . 1 . . . . . . . . . 4722 1 1924 . 1 1 159 159 LEU CB C 13 42.2 0.5 . 1 . . . . . . . . . 4722 1 1925 . 1 1 159 159 LEU CG C 13 27.7 0.5 . 1 . . . . . . . . . 4722 1 1926 . 1 1 159 159 LEU CD1 C 13 26.1 0.5 . 2 . . . . . . . . . 4722 1 1927 . 1 1 159 159 LEU CD2 C 13 24.4 0.5 . 2 . . . . . . . . . 4722 1 1928 . 1 1 159 159 LEU N N 15 119.7 0.2 . 1 . . . . . . . . . 4722 1 1929 . 1 1 160 160 SER H H 1 7.82 0.01 . 1 . . . . . . . . . 4722 1 1930 . 1 1 160 160 SER HA H 1 4.44 0.04 . 1 . . . . . . . . . 4722 1 1931 . 1 1 160 160 SER HB2 H 1 3.94 0.04 . 2 . . . . . . . . . 4722 1 1932 . 1 1 160 160 SER HB3 H 1 4.07 0.04 . 2 . . . . . . . . . 4722 1 1933 . 1 1 160 160 SER C C 13 174.6 0.2 . 1 . . . . . . . . . 4722 1 1934 . 1 1 160 160 SER CA C 13 61.9 0.5 . 1 . . . . . . . . . 4722 1 1935 . 1 1 160 160 SER CB C 13 63.9 0.5 . 1 . . . . . . . . . 4722 1 1936 . 1 1 160 160 SER N N 15 116.2 0.2 . 1 . . . . . . . . . 4722 1 1937 . 1 1 161 161 LEU H H 1 8.11 0.01 . 1 . . . . . . . . . 4722 1 1938 . 1 1 161 161 LEU HA H 1 4.20 0.04 . 1 . . . . . . . . . 4722 1 1939 . 1 1 161 161 LEU HB2 H 1 1.75 0.04 . 2 . . . . . . . . . 4722 1 1940 . 1 1 161 161 LEU HB3 H 1 1.91 0.04 . 2 . . . . . . . . . 4722 1 1941 . 1 1 161 161 LEU HG H 1 1.54 0.04 . 1 . . . . . . . . . 4722 1 1942 . 1 1 161 161 LEU HD11 H 1 0.83 0.04 . 2 . . . . . . . . . 4722 1 1943 . 1 1 161 161 LEU HD12 H 1 0.83 0.04 . 2 . . . . . . . . . 4722 1 1944 . 1 1 161 161 LEU HD13 H 1 0.83 0.04 . 2 . . . . . . . . . 4722 1 1945 . 1 1 161 161 LEU HD21 H 1 0.79 0.04 . 2 . . . . . . . . . 4722 1 1946 . 1 1 161 161 LEU HD22 H 1 0.79 0.04 . 2 . . . . . . . . . 4722 1 1947 . 1 1 161 161 LEU HD23 H 1 0.79 0.04 . 2 . . . . . . . . . 4722 1 1948 . 1 1 161 161 LEU C C 13 172.3 0.2 . 1 . . . . . . . . . 4722 1 1949 . 1 1 161 161 LEU CA C 13 56.6 0.5 . 1 . . . . . . . . . 4722 1 1950 . 1 1 161 161 LEU CB C 13 42.4 0.5 . 1 . . . . . . . . . 4722 1 1951 . 1 1 161 161 LEU CG C 13 30.9 0.5 . 1 . . . . . . . . . 4722 1 1952 . 1 1 161 161 LEU CD1 C 13 26.9 0.5 . 2 . . . . . . . . . 4722 1 1953 . 1 1 161 161 LEU CD2 C 13 23.5 0.5 . 2 . . . . . . . . . 4722 1 1954 . 1 1 161 161 LEU N N 15 122.4 0.2 . 1 . . . . . . . . . 4722 1 1955 . 1 1 162 162 GLU H H 1 7.84 0.01 . 1 . . . . . . . . . 4722 1 1956 . 1 1 162 162 GLU HA H 1 4.23 0.04 . 1 . . . . . . . . . 4722 1 1957 . 1 1 162 162 GLU HB2 H 1 2.12 0.04 . 1 . . . . . . . . . 4722 1 1958 . 1 1 162 162 GLU HB3 H 1 2.12 0.04 . 1 . . . . . . . . . 4722 1 1959 . 1 1 162 162 GLU HG2 H 1 2.30 0.04 . 2 . . . . . . . . . 4722 1 1960 . 1 1 162 162 GLU HG3 H 1 2.41 0.04 . 2 . . . . . . . . . 4722 1 1961 . 1 1 162 162 GLU C C 13 172.9 0.2 . 1 . . . . . . . . . 4722 1 1962 . 1 1 162 162 GLU CA C 13 57.7 0.5 . 1 . . . . . . . . . 4722 1 1963 . 1 1 162 162 GLU CB C 13 30.1 0.5 . 1 . . . . . . . . . 4722 1 1964 . 1 1 162 162 GLU CG C 13 36.6 0.5 . 1 . . . . . . . . . 4722 1 1965 . 1 1 162 162 GLU N N 15 119.8 0.2 . 1 . . . . . . . . . 4722 1 1966 . 1 1 163 163 GLY H H 1 8.09 0.01 . 1 . . . . . . . . . 4722 1 1967 . 1 1 163 163 GLY HA2 H 1 4.00 0.04 . 2 . . . . . . . . . 4722 1 1968 . 1 1 163 163 GLY HA3 H 1 4.75 0.04 . 2 . . . . . . . . . 4722 1 1969 . 1 1 163 163 GLY C C 13 176.2 0.2 . 1 . . . . . . . . . 4722 1 1970 . 1 1 163 163 GLY CA C 13 46.1 0.5 . 1 . . . . . . . . . 4722 1 1971 . 1 1 163 163 GLY N N 15 108.9 0.2 . 1 . . . . . . . . . 4722 1 1972 . 1 1 164 164 ASN H H 1 8.12 0.01 . 1 . . . . . . . . . 4722 1 1973 . 1 1 164 164 ASN HA H 1 3.97 0.04 . 1 . . . . . . . . . 4722 1 1974 . 1 1 164 164 ASN HB2 H 1 2.43 0.04 . 2 . . . . . . . . . 4722 1 1975 . 1 1 164 164 ASN HB3 H 1 2.65 0.04 . 2 . . . . . . . . . 4722 1 1976 . 1 1 164 164 ASN HD21 H 1 6.93 0.04 . 2 . . . . . . . . . 4722 1 1977 . 1 1 164 164 ASN HD22 H 1 7.59 0.04 . 2 . . . . . . . . . 4722 1 1978 . 1 1 164 164 ASN C C 13 175.5 0.2 . 1 . . . . . . . . . 4722 1 1979 . 1 1 164 164 ASN CA C 13 53.7 0.5 . 1 . . . . . . . . . 4722 1 1980 . 1 1 164 164 ASN CB C 13 39.6 0.5 . 1 . . . . . . . . . 4722 1 1981 . 1 1 164 164 ASN N N 15 119.4 0.2 . 1 . . . . . . . . . 4722 1 1982 . 1 1 164 164 ASN ND2 N 15 113.9 0.2 . 1 . . . . . . . . . 4722 1 1983 . 1 1 165 165 ALA H H 1 8.25 0.01 . 1 . . . . . . . . . 4722 1 1984 . 1 1 165 165 ALA HA H 1 4.35 0.04 . 1 . . . . . . . . . 4722 1 1985 . 1 1 165 165 ALA HB1 H 1 1.45 0.04 . 1 . . . . . . . . . 4722 1 1986 . 1 1 165 165 ALA HB2 H 1 1.45 0.04 . 1 . . . . . . . . . 4722 1 1987 . 1 1 165 165 ALA HB3 H 1 1.45 0.04 . 1 . . . . . . . . . 4722 1 1988 . 1 1 165 165 ALA C C 13 172.8 0.2 . 1 . . . . . . . . . 4722 1 1989 . 1 1 165 165 ALA CA C 13 53.3 0.5 . 1 . . . . . . . . . 4722 1 1990 . 1 1 165 165 ALA CB C 13 19.3 0.5 . 1 . . . . . . . . . 4722 1 1991 . 1 1 165 165 ALA N N 15 124.8 0.2 . 1 . . . . . . . . . 4722 1 1992 . 1 1 166 166 LEU H H 1 8.14 0.01 . 1 . . . . . . . . . 4722 1 1993 . 1 1 166 166 LEU HA H 1 4.40 0.04 . 1 . . . . . . . . . 4722 1 1994 . 1 1 166 166 LEU HB2 H 1 1.73 0.04 . 1 . . . . . . . . . 4722 1 1995 . 1 1 166 166 LEU HB3 H 1 1.73 0.04 . 1 . . . . . . . . . 4722 1 1996 . 1 1 166 166 LEU HG H 1 1.67 0.04 . 1 . . . . . . . . . 4722 1 1997 . 1 1 166 166 LEU HD11 H 1 0.97 0.04 . 2 . . . . . . . . . 4722 1 1998 . 1 1 166 166 LEU HD12 H 1 0.97 0.04 . 2 . . . . . . . . . 4722 1 1999 . 1 1 166 166 LEU HD13 H 1 0.97 0.04 . 2 . . . . . . . . . 4722 1 2000 . 1 1 166 166 LEU HD21 H 1 0.92 0.04 . 2 . . . . . . . . . 4722 1 2001 . 1 1 166 166 LEU HD22 H 1 0.92 0.04 . 2 . . . . . . . . . 4722 1 2002 . 1 1 166 166 LEU HD23 H 1 0.92 0.04 . 2 . . . . . . . . . 4722 1 2003 . 1 1 166 166 LEU C C 13 172.7 0.2 . 1 . . . . . . . . . 4722 1 2004 . 1 1 166 166 LEU CA C 13 55.6 0.5 . 1 . . . . . . . . . 4722 1 2005 . 1 1 166 166 LEU CB C 13 42.6 0.5 . 1 . . . . . . . . . 4722 1 2006 . 1 1 166 166 LEU CG C 13 27.7 0.5 . 1 . . . . . . . . . 4722 1 2007 . 1 1 166 166 LEU CD1 C 13 26.1 0.5 . 2 . . . . . . . . . 4722 1 2008 . 1 1 166 166 LEU CD2 C 13 24.4 0.5 . 2 . . . . . . . . . 4722 1 2009 . 1 1 166 166 LEU N N 15 121.2 0.2 . 1 . . . . . . . . . 4722 1 2010 . 1 1 167 167 GLY H H 1 8.28 0.01 . 1 . . . . . . . . . 4722 1 2011 . 1 1 167 167 GLY HA2 H 1 4.00 0.04 . 2 . . . . . . . . . 4722 1 2012 . 1 1 167 167 GLY HA3 H 1 4.75 0.04 . 2 . . . . . . . . . 4722 1 2013 . 1 1 167 167 GLY C C 13 176.9 0.2 . 1 . . . . . . . . . 4722 1 2014 . 1 1 167 167 GLY CA C 13 45.6 0.5 . 1 . . . . . . . . . 4722 1 2015 . 1 1 167 167 GLY N N 15 110.3 0.2 . 1 . . . . . . . . . 4722 1 2016 . 1 1 168 168 GLY H H 1 7.92 0.01 . 1 . . . . . . . . . 4722 1 2017 . 1 1 168 168 GLY HA2 H 1 3.80 0.04 . 2 . . . . . . . . . 4722 1 2018 . 1 1 168 168 GLY HA3 H 1 4.00 0.04 . 2 . . . . . . . . . 4722 1 2019 . 1 1 168 168 GLY CA C 13 46.1 0.5 . 1 . . . . . . . . . 4722 1 2020 . 1 1 168 168 GLY N N 15 116.1 0.2 . 1 . . . . . . . . . 4722 1 stop_ save_