data_16593 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16593 _Entry.Title ; 1H, 15N and 13C chemical shifts for the apo form of F98N-flavodoxin from Anabaena PCC7119 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-11-02 _Entry.Accession_date 2009-11-02 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sara Ayuso-Tejedor . . . 16593 2 Javier Sancho . . . 16593 3 'M. Angeles' Jimenez . . . 16593 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'NMR group, Instituto Quimica Fisica Rocasolano, CSIC, Madrid, Spain' . 16593 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16593 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 33 16593 '15N chemical shifts' 79 16593 '1H chemical shifts' 601 16593 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-08-12 2010-11-02 update BMRB 'Complete entry citation' 16593 1 . . 2010-06-28 2010-11-02 original author 'original release' 16593 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5011 'Wild type apoflavodoxin from Anabaena PCC 7119' 16593 PDB 1FTG 'Crystal structure for wild type apoflavodoxin from Anabaena PCC 7119' 16593 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16593 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20553732 _Citation.Full_citation . _Citation.Title 'Design and structure of an equilibrium protein folding intermediate: a hint into dynamical regions of proteins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 400 _Citation.Journal_issue 4 _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 922 _Citation.Page_last 934 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sara Ayuso-Tejedor . . . 16593 1 2 'Vladimir Espinosa' Angarica . . . 16593 1 3 Marta Bueno . . . 16593 1 4 Luis Campos . A. . 16593 1 5 Olga Abian . . . 16593 1 6 Pau Bernado . . . 16593 1 7 Javier Sancho . . . 16593 1 8 'M. Angeles' Jimenez . . . 16593 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID flavodoxin 16593 1 'folding intermediate' 16593 1 'unfolded state' 16593 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16593 _Assembly.ID 1 _Assembly.Name F98N-fdx _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 F98N-fdx 1 $F98N-fdx A . yes native no no . . . 16593 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_F98N-fdx _Entity.Sf_category entity _Entity.Sf_framecode F98N-fdx _Entity.Entry_ID 16593 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name F98N-fdx _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 ; AKKIGLFYGTQTGKTESVAE IIRDEFGNDVVTLHDVSQAE VTDLNDYQYLIIGCPTWNIG ELQSDWEGLYSELDDVDFNG KLVAYFGTGDQIGYADNFQD AIGILEEKISQRGGKTVGYW STDGYDFNDSKALRNGKFVG LALDEDNQSDLTDDRIKSWV AQLKSEFGL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'F98N mutant of flavodoxin from Anabaena PC 7119' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 169 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 1580 . flavodoxin . . . . . 100.00 169 99.41 100.00 1.57e-115 . . . . 16593 1 2 no PDB 1DX9 . "W57a Apoflavodoxin From Anabaena" . . . . . 100.00 169 98.82 99.41 2.65e-114 . . . . 16593 1 3 no PDB 1FLV . "Structure Of The Oxidized Long Chain Flavodoxin From Anabaena 7120 At 2 Angstroms Resolution" . . . . . 100.00 169 99.41 100.00 1.57e-115 . . . . 16593 1 4 no PDB 1FTG . "Structure Of Apoflavodoxin: Closure Of A TyrosineTRYPTOPHAN AROMATIC Gate Leads To A Compact Fold" . . . . . 99.41 168 100.00 100.00 2.47e-115 . . . . 16593 1 5 no PDB 1OBO . "W57l Flavodoxin From Anabaena" . . . . . 100.00 169 99.41 99.41 7.23e-115 . . . . 16593 1 6 no PDB 1OBV . "Y94f Flavodoxin From Anabaena" . . . . . 100.00 169 99.41 100.00 1.29e-115 . . . . 16593 1 7 no PDB 1QHE . "Energetics Of A Hydrogen Bond (Charged And Neutral) And Of A Cation-Pi Interaction In Apoflavodoxin" . . . . . 99.41 168 100.00 100.00 2.47e-115 . . . . 16593 1 8 no PDB 1RCF . "Structure Of The Trigonal Form Of Recombinant Oxidized Flavodoxin From Anabaena 7120 At 1.40 Angstroms Resolution" . . . . . 100.00 169 99.41 100.00 1.57e-115 . . . . 16593 1 9 no PDB 2KQU . "F98n Apoflavodoxin From Anabaena Pcc 7119" . . . . . 100.00 169 99.41 99.41 8.52e-115 . . . . 16593 1 10 no PDB 2V5U . "I92a Flavodoxin From Anabaena" . . . . . 100.00 169 99.41 99.41 2.56e-115 . . . . 16593 1 11 no PDB 2V5V . "W57e Flavodoxin From Anabaena" . . . . . 100.00 169 99.41 99.41 1.42e-114 . . . . 16593 1 12 no PDB 3ESX . "E16ke61kd126kd150k Flavodoxin From Anabaena" . . . . . 100.00 169 97.04 98.82 7.28e-113 . . . . 16593 1 13 no PDB 3ESY . "E16ke61k Flavodoxin From Anabaena" . . . . . 100.00 169 98.22 100.00 1.83e-114 . . . . 16593 1 14 no PDB 3ESZ . "K2ak3a Flavodoxin From Anabaena" . . . . . 100.00 169 98.22 98.82 5.46e-114 . . . . 16593 1 15 no DBJ BAB74104 . "flavodoxin [Nostoc sp. PCC 7120]" . . . . . 100.00 170 99.41 100.00 6.68e-116 . . . . 16593 1 16 no EMBL CAA32720 . "flavodoxin ORF [Nostoc sp. PCC 7120]" . . . . . 100.00 170 99.41 100.00 6.68e-116 . . . . 16593 1 17 no GB AAB20462 . "flavodoxin [Anabaena]" . . . . . 100.00 170 99.41 100.00 6.68e-116 . . . . 16593 1 18 no PIR S04600 . "flavodoxin - Anabaena variabilis" . . . . . 100.00 170 99.41 100.00 6.68e-116 . . . . 16593 1 19 no PIR S18374 . "flavodoxin - Anabaena sp. (PCC 7119) (fragment)" . . . . . 99.41 168 100.00 100.00 2.47e-115 . . . . 16593 1 20 no REF WP_010996561 . "flavodoxin [Nostoc sp. PCC 7120]" . . . . . 100.00 170 99.41 100.00 6.68e-116 . . . . 16593 1 21 no SP P0A3D9 . "RecName: Full=Flavodoxin" . . . . . 100.00 170 99.41 100.00 6.68e-116 . . . . 16593 1 22 no SP P0A3E0 . "RecName: Full=Flavodoxin" . . . . . 100.00 170 99.41 100.00 6.68e-116 . . . . 16593 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 . ALA . 16593 1 2 . LYS . 16593 1 3 . LYS . 16593 1 4 . ILE . 16593 1 5 . GLY . 16593 1 6 . LEU . 16593 1 7 . PHE . 16593 1 8 . TYR . 16593 1 9 . GLY . 16593 1 10 . THR . 16593 1 11 . GLN . 16593 1 12 . THR . 16593 1 13 . GLY . 16593 1 14 . LYS . 16593 1 15 . THR . 16593 1 16 . GLU . 16593 1 17 . SER . 16593 1 18 . VAL . 16593 1 19 . ALA . 16593 1 20 . GLU . 16593 1 21 . ILE . 16593 1 22 . ILE . 16593 1 23 . ARG . 16593 1 24 . ASP . 16593 1 25 . GLU . 16593 1 26 . PHE . 16593 1 27 . GLY . 16593 1 28 . ASN . 16593 1 29 . ASP . 16593 1 30 . VAL . 16593 1 31 . VAL . 16593 1 32 . THR . 16593 1 33 . LEU . 16593 1 34 . HIS . 16593 1 35 . ASP . 16593 1 36 . VAL . 16593 1 37 . SER . 16593 1 38 . GLN . 16593 1 39 . ALA . 16593 1 40 . GLU . 16593 1 41 . VAL . 16593 1 42 . THR . 16593 1 43 . ASP . 16593 1 44 . LEU . 16593 1 45 . ASN . 16593 1 46 . ASP . 16593 1 47 . TYR . 16593 1 48 . GLN . 16593 1 49 . TYR . 16593 1 50 . LEU . 16593 1 51 . ILE . 16593 1 52 . ILE . 16593 1 53 . GLY . 16593 1 54 . CYS . 16593 1 55 . PRO . 16593 1 56 . THR . 16593 1 57 . TRP . 16593 1 58 . ASN . 16593 1 59 . ILE . 16593 1 60 . GLY . 16593 1 61 . GLU . 16593 1 62 . LEU . 16593 1 63 . GLN . 16593 1 64 . SER . 16593 1 65 . ASP . 16593 1 66 . TRP . 16593 1 67 . GLU . 16593 1 68 . GLY . 16593 1 69 . LEU . 16593 1 70 . TYR . 16593 1 71 . SER . 16593 1 72 . GLU . 16593 1 73 . LEU . 16593 1 74 . ASP . 16593 1 75 . ASP . 16593 1 76 . VAL . 16593 1 77 . ASP . 16593 1 78 . PHE . 16593 1 79 . ASN . 16593 1 80 . GLY . 16593 1 81 . LYS . 16593 1 82 . LEU . 16593 1 83 . VAL . 16593 1 84 . ALA . 16593 1 85 . TYR . 16593 1 86 . PHE . 16593 1 87 . GLY . 16593 1 88 . THR . 16593 1 89 . GLY . 16593 1 90 . ASP . 16593 1 91 . GLN . 16593 1 92 . ILE . 16593 1 93 . GLY . 16593 1 94 . TYR . 16593 1 95 . ALA . 16593 1 96 . ASP . 16593 1 97 . ASN . 16593 1 98 . PHE . 16593 1 99 . GLN . 16593 1 100 . ASP . 16593 1 101 . ALA . 16593 1 102 . ILE . 16593 1 103 . GLY . 16593 1 104 . ILE . 16593 1 105 . LEU . 16593 1 106 . GLU . 16593 1 107 . GLU . 16593 1 108 . LYS . 16593 1 109 . ILE . 16593 1 110 . SER . 16593 1 111 . GLN . 16593 1 112 . ARG . 16593 1 113 . GLY . 16593 1 114 . GLY . 16593 1 115 . LYS . 16593 1 116 . THR . 16593 1 117 . VAL . 16593 1 118 . GLY . 16593 1 119 . TYR . 16593 1 120 . TRP . 16593 1 121 . SER . 16593 1 122 . THR . 16593 1 123 . ASP . 16593 1 124 . GLY . 16593 1 125 . TYR . 16593 1 126 . ASP . 16593 1 127 . PHE . 16593 1 128 . ASN . 16593 1 129 . ASP . 16593 1 130 . SER . 16593 1 131 . LYS . 16593 1 132 . ALA . 16593 1 133 . LEU . 16593 1 134 . ARG . 16593 1 135 . ASN . 16593 1 136 . GLY . 16593 1 137 . LYS . 16593 1 138 . PHE . 16593 1 139 . VAL . 16593 1 140 . GLY . 16593 1 141 . LEU . 16593 1 142 . ALA . 16593 1 143 . LEU . 16593 1 144 . ASP . 16593 1 145 . GLU . 16593 1 146 . ASP . 16593 1 147 . ASN . 16593 1 148 . GLN . 16593 1 149 . SER . 16593 1 150 . ASP . 16593 1 151 . LEU . 16593 1 152 . THR . 16593 1 153 . ASP . 16593 1 154 . ASP . 16593 1 155 . ARG . 16593 1 156 . ILE . 16593 1 157 . LYS . 16593 1 158 . SER . 16593 1 159 . TRP . 16593 1 160 . VAL . 16593 1 161 . ALA . 16593 1 162 . GLN . 16593 1 163 . LEU . 16593 1 164 . LYS . 16593 1 165 . SER . 16593 1 166 . GLU . 16593 1 167 . PHE . 16593 1 168 . GLY . 16593 1 169 . LEU . 16593 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 . ALA 1 1 16593 1 . LYS 2 2 16593 1 . LYS 3 3 16593 1 . ILE 4 4 16593 1 . GLY 5 5 16593 1 . LEU 6 6 16593 1 . PHE 7 7 16593 1 . TYR 8 8 16593 1 . GLY 9 9 16593 1 . THR 10 10 16593 1 . GLN 11 11 16593 1 . THR 12 12 16593 1 . GLY 13 13 16593 1 . LYS 14 14 16593 1 . THR 15 15 16593 1 . GLU 16 16 16593 1 . SER 17 17 16593 1 . VAL 18 18 16593 1 . ALA 19 19 16593 1 . GLU 20 20 16593 1 . ILE 21 21 16593 1 . ILE 22 22 16593 1 . ARG 23 23 16593 1 . ASP 24 24 16593 1 . GLU 25 25 16593 1 . PHE 26 26 16593 1 . GLY 27 27 16593 1 . ASN 28 28 16593 1 . ASP 29 29 16593 1 . VAL 30 30 16593 1 . VAL 31 31 16593 1 . THR 32 32 16593 1 . LEU 33 33 16593 1 . HIS 34 34 16593 1 . ASP 35 35 16593 1 . VAL 36 36 16593 1 . SER 37 37 16593 1 . GLN 38 38 16593 1 . ALA 39 39 16593 1 . GLU 40 40 16593 1 . VAL 41 41 16593 1 . THR 42 42 16593 1 . ASP 43 43 16593 1 . LEU 44 44 16593 1 . ASN 45 45 16593 1 . ASP 46 46 16593 1 . TYR 47 47 16593 1 . GLN 48 48 16593 1 . TYR 49 49 16593 1 . LEU 50 50 16593 1 . ILE 51 51 16593 1 . ILE 52 52 16593 1 . GLY 53 53 16593 1 . CYS 54 54 16593 1 . PRO 55 55 16593 1 . THR 56 56 16593 1 . TRP 57 57 16593 1 . ASN 58 58 16593 1 . ILE 59 59 16593 1 . GLY 60 60 16593 1 . GLU 61 61 16593 1 . LEU 62 62 16593 1 . GLN 63 63 16593 1 . SER 64 64 16593 1 . ASP 65 65 16593 1 . TRP 66 66 16593 1 . GLU 67 67 16593 1 . GLY 68 68 16593 1 . LEU 69 69 16593 1 . TYR 70 70 16593 1 . SER 71 71 16593 1 . GLU 72 72 16593 1 . LEU 73 73 16593 1 . ASP 74 74 16593 1 . ASP 75 75 16593 1 . VAL 76 76 16593 1 . ASP 77 77 16593 1 . PHE 78 78 16593 1 . ASN 79 79 16593 1 . GLY 80 80 16593 1 . LYS 81 81 16593 1 . LEU 82 82 16593 1 . VAL 83 83 16593 1 . ALA 84 84 16593 1 . TYR 85 85 16593 1 . PHE 86 86 16593 1 . GLY 87 87 16593 1 . THR 88 88 16593 1 . GLY 89 89 16593 1 . ASP 90 90 16593 1 . GLN 91 91 16593 1 . ILE 92 92 16593 1 . GLY 93 93 16593 1 . TYR 94 94 16593 1 . ALA 95 95 16593 1 . ASP 96 96 16593 1 . ASN 97 97 16593 1 . PHE 98 98 16593 1 . GLN 99 99 16593 1 . ASP 100 100 16593 1 . ALA 101 101 16593 1 . ILE 102 102 16593 1 . GLY 103 103 16593 1 . ILE 104 104 16593 1 . LEU 105 105 16593 1 . GLU 106 106 16593 1 . GLU 107 107 16593 1 . LYS 108 108 16593 1 . ILE 109 109 16593 1 . SER 110 110 16593 1 . GLN 111 111 16593 1 . ARG 112 112 16593 1 . GLY 113 113 16593 1 . GLY 114 114 16593 1 . LYS 115 115 16593 1 . THR 116 116 16593 1 . VAL 117 117 16593 1 . GLY 118 118 16593 1 . TYR 119 119 16593 1 . TRP 120 120 16593 1 . SER 121 121 16593 1 . THR 122 122 16593 1 . ASP 123 123 16593 1 . GLY 124 124 16593 1 . TYR 125 125 16593 1 . ASP 126 126 16593 1 . PHE 127 127 16593 1 . ASN 128 128 16593 1 . ASP 129 129 16593 1 . SER 130 130 16593 1 . LYS 131 131 16593 1 . ALA 132 132 16593 1 . LEU 133 133 16593 1 . ARG 134 134 16593 1 . ASN 135 135 16593 1 . GLY 136 136 16593 1 . LYS 137 137 16593 1 . PHE 138 138 16593 1 . VAL 139 139 16593 1 . GLY 140 140 16593 1 . LEU 141 141 16593 1 . ALA 142 142 16593 1 . LEU 143 143 16593 1 . ASP 144 144 16593 1 . GLU 145 145 16593 1 . ASP 146 146 16593 1 . ASN 147 147 16593 1 . GLN 148 148 16593 1 . SER 149 149 16593 1 . ASP 150 150 16593 1 . LEU 151 151 16593 1 . THR 152 152 16593 1 . ASP 153 153 16593 1 . ASP 154 154 16593 1 . ARG 155 155 16593 1 . ILE 156 156 16593 1 . LYS 157 157 16593 1 . SER 158 158 16593 1 . TRP 159 159 16593 1 . VAL 160 160 16593 1 . ALA 161 161 16593 1 . GLN 162 162 16593 1 . LEU 163 163 16593 1 . LYS 164 164 16593 1 . SER 165 165 16593 1 . GLU 166 166 16593 1 . PHE 167 167 16593 1 . GLY 168 168 16593 1 . LEU 169 169 16593 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16593 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $F98N-fdx . 1168 organism . 'Anabaena PCC 7119' 'Anabaena PCC 7119' . . Bacteria . Anabaena . . . . . . . . . . . . . . . . . . . . . . 16593 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 16593 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $F98N-fdx . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pTrc99A . . . . . . 16593 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16593 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 F98N-fdx 'natural abundance' . . 1 $F98N-fdx . . 1 . . mM . . . . 16593 1 2 'sodium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 16593 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16593 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16593 1 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16593 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16593 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 F98N-fdx 'natural abundance' . . 1 $F98N-fdx . . 1 . . mM . . . . 16593 2 2 'sodium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 16593 2 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16593 2 4 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16593 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16593 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 F98N-fdx [U-15N] . . 1 $F98N-fdx . . 1 . . mM . . . . 16593 3 2 'sodium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 16593 3 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16593 3 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16593 3 5 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16593 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16593 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 5 . mM 16593 1 pH 7.0 . pH 16593 1 pressure 1 . atm 16593 1 temperature 298 . K 16593 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16593 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16593 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16593 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16593 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16593 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16593 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 16593 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16593 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16593 1 3 '3D HNHA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16593 1 4 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16593 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16593 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16593 1 7 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16593 1 8 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16593 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16593 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16593 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16593 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16593 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16593 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16593 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16593 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16593 1 2 '3D 1H-15N NOESY' . . . 16593 1 6 '2D 1H-1H NOESY' . . . 16593 1 9 '2D 1H-1H NOESY' . . . 16593 1 10 '2D 1H-13C HSQC' . . . 16593 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16593 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LYS H H 1 8.05 0.01 . 1 . . . . 3 LYS HN . 16593 1 2 . 1 1 3 3 LYS HA H 1 4.73 0.01 . 1 . . . . 3 LYS HA . 16593 1 3 . 1 1 3 3 LYS HB2 H 1 1.99 0.01 . 2 . . . . 3 LYS HB2 . 16593 1 4 . 1 1 3 3 LYS HB3 H 1 1.99 0.01 . 2 . . . . 3 LYS HB3 . 16593 1 5 . 1 1 3 3 LYS HG2 H 1 1.62 0.01 . 2 . . . . 3 LYS HG2 . 16593 1 6 . 1 1 3 3 LYS HG3 H 1 1.54 0.01 . 2 . . . . 3 LYS HG3 . 16593 1 7 . 1 1 3 3 LYS N N 15 119.8 0.1 . 1 . . . . 3 LYS N . 16593 1 8 . 1 1 4 4 ILE H H 1 8.48 0.01 . 1 . . . . 4 ILE HN . 16593 1 9 . 1 1 4 4 ILE HA H 1 4.70 0.01 . 1 . . . . 4 ILE HA . 16593 1 10 . 1 1 4 4 ILE HB H 1 1.28 0.01 . 1 . . . . 4 ILE HB . 16593 1 11 . 1 1 4 4 ILE HD11 H 1 -0.12 0.01 . 1 . . . . 4 ILE HD1 . 16593 1 12 . 1 1 4 4 ILE HD12 H 1 -0.12 0.01 . 1 . . . . 4 ILE HD1 . 16593 1 13 . 1 1 4 4 ILE HD13 H 1 -0.12 0.01 . 1 . . . . 4 ILE HD1 . 16593 1 14 . 1 1 4 4 ILE HG12 H 1 1.11 0.01 . 2 . . . . 4 ILE HG12 . 16593 1 15 . 1 1 4 4 ILE HG13 H 1 0.55 0.01 . 2 . . . . 4 ILE HG13 . 16593 1 16 . 1 1 4 4 ILE HG21 H 1 0.35 0.01 . 1 . . . . 4 ILE HG2 . 16593 1 17 . 1 1 4 4 ILE HG22 H 1 0.35 0.01 . 1 . . . . 4 ILE HG2 . 16593 1 18 . 1 1 4 4 ILE HG23 H 1 0.35 0.01 . 1 . . . . 4 ILE HG2 . 16593 1 19 . 1 1 4 4 ILE CD1 C 13 14.5 0.1 . 1 . . . . 4 ILE CD1 . 16593 1 20 . 1 1 4 4 ILE CG2 C 13 16.7 0.1 . 1 . . . . 4 ILE CG2 . 16593 1 21 . 1 1 4 4 ILE N N 15 119.6 0.1 . 1 . . . . 4 ILE N . 16593 1 22 . 1 1 5 5 GLY H H 1 8.06 0.01 . 1 . . . . 5 GLY HN . 16593 1 23 . 1 1 5 5 GLY HA2 H 1 1.98 0.01 . 2 . . . . 5 GLY HA1 . 16593 1 24 . 1 1 5 5 GLY HA3 H 1 4.07 0.01 . 2 . . . . 5 GLY HA2 . 16593 1 25 . 1 1 5 5 GLY N N 15 117.2 0.1 . 1 . . . . 5 GLY N . 16593 1 26 . 1 1 6 6 LEU H H 1 8.70 0.01 . 1 . . . . 6 LEU HN . 16593 1 27 . 1 1 6 6 LEU HA H 1 5.94 0.01 . 1 . . . . 6 LEU HA . 16593 1 28 . 1 1 6 6 LEU HB2 H 1 1.90 0.01 . 2 . . . . 6 LEU HB2 . 16593 1 29 . 1 1 6 6 LEU HB3 H 1 1.90 0.01 . 2 . . . . 6 LEU HB3 . 16593 1 30 . 1 1 6 6 LEU HD11 H 1 1.02 0.01 . 2 . . . . 6 LEU HD1 . 16593 1 31 . 1 1 6 6 LEU HD12 H 1 1.02 0.01 . 2 . . . . 6 LEU HD1 . 16593 1 32 . 1 1 6 6 LEU HD13 H 1 1.02 0.01 . 2 . . . . 6 LEU HD1 . 16593 1 33 . 1 1 6 6 LEU HD21 H 1 1.11 0.01 . 2 . . . . 6 LEU HD2 . 16593 1 34 . 1 1 6 6 LEU HD22 H 1 1.11 0.01 . 2 . . . . 6 LEU HD2 . 16593 1 35 . 1 1 6 6 LEU HD23 H 1 1.11 0.01 . 2 . . . . 6 LEU HD2 . 16593 1 36 . 1 1 6 6 LEU N N 15 130.2 0.1 . 1 . . . . 6 LEU N . 16593 1 37 . 1 1 7 7 PHE H H 1 9.41 0.01 . 1 . . . . 7 PHE HN . 16593 1 38 . 1 1 7 7 PHE HA H 1 5.53 0.01 . 1 . . . . 7 PHE HA . 16593 1 39 . 1 1 7 7 PHE HB2 H 1 3.07 0.01 . 2 . . . . 7 PHE HB2 . 16593 1 40 . 1 1 7 7 PHE HB3 H 1 2.68 0.01 . 2 . . . . 7 PHE HB3 . 16593 1 41 . 1 1 7 7 PHE HD1 H 1 6.91 0.01 . 3 . . . . 7 PHE HD1 . 16593 1 42 . 1 1 7 7 PHE HD2 H 1 6.91 0.01 . 3 . . . . 7 PHE HD2 . 16593 1 43 . 1 1 7 7 PHE HE1 H 1 6.68 0.01 . 3 . . . . 7 PHE HE1 . 16593 1 44 . 1 1 7 7 PHE HE2 H 1 6.68 0.01 . 3 . . . . 7 PHE HE2 . 16593 1 45 . 1 1 7 7 PHE HZ H 1 6.50 0.01 . 1 . . . . 7 PHE HZ . 16593 1 46 . 1 1 7 7 PHE CA C 13 56.2 0.1 . 1 . . . . 7 PHE CA . 16593 1 47 . 1 1 7 7 PHE CE1 C 13 130.6 0.1 . 1 . . . . 7 PHE CE1 . 16593 1 48 . 1 1 7 7 PHE N N 15 128.3 0.1 . 1 . . . . 7 PHE N . 16593 1 49 . 1 1 8 8 TYR H H 1 8.53 0.01 . 1 . . . . 8 TYR HN . 16593 1 50 . 1 1 8 8 TYR HA H 1 6.48 0.01 . 1 . . . . 8 TYR HA . 16593 1 51 . 1 1 8 8 TYR HD1 H 1 6.85 0.01 . 3 . . . . 8 TYR HD1 . 16593 1 52 . 1 1 8 8 TYR HD2 H 1 6.85 0.01 . 3 . . . . 8 TYR HD2 . 16593 1 53 . 1 1 8 8 TYR HE1 H 1 6.53 0.01 . 3 . . . . 8 TYR HE1 . 16593 1 54 . 1 1 8 8 TYR HE2 H 1 6.53 0.01 . 3 . . . . 8 TYR HE2 . 16593 1 55 . 1 1 8 8 TYR CE1 C 13 117.2 0.1 . 1 . . . . 8 TYR CE1 . 16593 1 56 . 1 1 18 18 VAL H H 1 7.58 0.01 . 1 . . . . 18 VAL HN . 16593 1 57 . 1 1 18 18 VAL HA H 1 3.50 0.01 . 1 . . . . 18 VAL HA . 16593 1 58 . 1 1 18 18 VAL HB H 1 2.10 0.01 . 1 . . . . 18 VAL HB . 16593 1 59 . 1 1 18 18 VAL HG11 H 1 0.94 0.01 . 2 . . . . 18 VAL HG1 . 16593 1 60 . 1 1 18 18 VAL HG12 H 1 0.94 0.01 . 2 . . . . 18 VAL HG1 . 16593 1 61 . 1 1 18 18 VAL HG13 H 1 0.94 0.01 . 2 . . . . 18 VAL HG1 . 16593 1 62 . 1 1 18 18 VAL HG21 H 1 0.55 0.01 . 2 . . . . 18 VAL HG2 . 16593 1 63 . 1 1 18 18 VAL HG22 H 1 0.55 0.01 . 2 . . . . 18 VAL HG2 . 16593 1 64 . 1 1 18 18 VAL HG23 H 1 0.55 0.01 . 2 . . . . 18 VAL HG2 . 16593 1 65 . 1 1 18 18 VAL CA C 13 66.3 0.1 . 1 . . . . 18 VAL CA . 16593 1 66 . 1 1 19 19 ALA HA H 1 3.83 0.01 . 1 . . . . 19 ALA HA . 16593 1 67 . 1 1 20 20 GLU H H 1 7.88 0.01 . 1 . . . . 20 GLU HN . 16593 1 68 . 1 1 20 20 GLU HA H 1 3.66 0.01 . 1 . . . . 20 GLU HA . 16593 1 69 . 1 1 20 20 GLU HB2 H 1 2.13 0.01 . 2 . . . . 20 GLU HB2 . 16593 1 70 . 1 1 20 20 GLU HB3 H 1 1.99 0.01 . 2 . . . . 20 GLU HB3 . 16593 1 71 . 1 1 20 20 GLU HG2 H 1 2.47 0.01 . 2 . . . . 20 GLU HG2 . 16593 1 72 . 1 1 20 20 GLU HG3 H 1 2.47 0.01 . 2 . . . . 20 GLU HG3 . 16593 1 73 . 1 1 20 20 GLU N N 15 116.5 0.1 . 1 . . . . 20 GLU N . 16593 1 74 . 1 1 21 21 ILE H H 1 7.43 0.01 . 1 . . . . 21 ILE HN . 16593 1 75 . 1 1 21 21 ILE HA H 1 3.85 0.01 . 1 . . . . 21 ILE HA . 16593 1 76 . 1 1 21 21 ILE HB H 1 1.94 0.01 . 1 . . . . 21 ILE HB . 16593 1 77 . 1 1 21 21 ILE HD11 H 1 0.82 0.01 . 1 . . . . 21 ILE HD1 . 16593 1 78 . 1 1 21 21 ILE HD12 H 1 0.82 0.01 . 1 . . . . 21 ILE HD1 . 16593 1 79 . 1 1 21 21 ILE HD13 H 1 0.82 0.01 . 1 . . . . 21 ILE HD1 . 16593 1 80 . 1 1 21 21 ILE N N 15 120.0 0.1 . 1 . . . . 21 ILE N . 16593 1 81 . 1 1 22 22 ILE H H 1 8.19 0.01 . 1 . . . . 22 ILE HN . 16593 1 82 . 1 1 22 22 ILE HA H 1 3.30 0.01 . 1 . . . . 22 ILE HA . 16593 1 83 . 1 1 22 22 ILE HB H 1 1.82 0.01 . 1 . . . . 22 ILE HB . 16593 1 84 . 1 1 22 22 ILE HD11 H 1 0.28 0.01 . 1 . . . . 22 ILE HD1 . 16593 1 85 . 1 1 22 22 ILE HD12 H 1 0.28 0.01 . 1 . . . . 22 ILE HD1 . 16593 1 86 . 1 1 22 22 ILE HD13 H 1 0.28 0.01 . 1 . . . . 22 ILE HD1 . 16593 1 87 . 1 1 22 22 ILE HG13 H 1 0.58 0.01 . 2 . . . . 22 ILE HG13 . 16593 1 88 . 1 1 22 22 ILE HG21 H 1 0.93 0.01 . 1 . . . . 22 ILE HG2 . 16593 1 89 . 1 1 22 22 ILE HG22 H 1 0.93 0.01 . 1 . . . . 22 ILE HG2 . 16593 1 90 . 1 1 22 22 ILE HG23 H 1 0.93 0.01 . 1 . . . . 22 ILE HG2 . 16593 1 91 . 1 1 22 22 ILE CA C 13 66.5 0.1 . 1 . . . . 22 ILE CA . 16593 1 92 . 1 1 22 22 ILE CD1 C 13 14.8 0.1 . 1 . . . . 22 ILE CD1 . 16593 1 93 . 1 1 22 22 ILE N N 15 120.2 0.1 . 1 . . . . 22 ILE N . 16593 1 94 . 1 1 23 23 ARG H H 1 8.41 0.01 . 1 . . . . 23 ARG HN . 16593 1 95 . 1 1 23 23 ARG HA H 1 3.74 0.01 . 1 . . . . 23 ARG HA . 16593 1 96 . 1 1 23 23 ARG HB2 H 1 2.37 0.01 . 2 . . . . 23 ARG HB2 . 16593 1 97 . 1 1 24 24 ASP H H 1 7.97 0.01 . 1 . . . . 24 ASP HN . 16593 1 98 . 1 1 24 24 ASP HA H 1 4.45 0.01 . 1 . . . . 24 ASP HA . 16593 1 99 . 1 1 24 24 ASP HB2 H 1 2.86 0.01 . 2 . . . . 24 ASP HB2 . 16593 1 100 . 1 1 24 24 ASP HB3 H 1 2.86 0.01 . 2 . . . . 24 ASP HB3 . 16593 1 101 . 1 1 24 24 ASP N N 15 120.0 0.1 . 1 . . . . 24 ASP N . 16593 1 102 . 1 1 25 25 GLU H H 1 8.45 0.01 . 1 . . . . 25 GLU HN . 16593 1 103 . 1 1 25 25 GLU HA H 1 4.07 0.01 . 1 . . . . 25 GLU HA . 16593 1 104 . 1 1 25 25 GLU HB2 H 1 2.03 0.01 . 2 . . . . 25 GLU HB2 . 16593 1 105 . 1 1 25 25 GLU HB3 H 1 1.88 0.01 . 2 . . . . 25 GLU HB3 . 16593 1 106 . 1 1 25 25 GLU HG2 H 1 2.26 0.01 . 2 . . . . 25 GLU HG2 . 16593 1 107 . 1 1 25 25 GLU HG3 H 1 2.26 0.01 . 2 . . . . 25 GLU HG3 . 16593 1 108 . 1 1 25 25 GLU N N 15 120.7 0.1 . 1 . . . . 25 GLU N . 16593 1 109 . 1 1 26 26 PHE H H 1 8.02 0.01 . 1 . . . . 26 PHE HN . 16593 1 110 . 1 1 26 26 PHE HA H 1 4.05 0.01 . 1 . . . . 26 PHE HA . 16593 1 111 . 1 1 26 26 PHE HB2 H 1 2.99 0.01 . 2 . . . . 26 PHE HB2 . 16593 1 112 . 1 1 26 26 PHE HB3 H 1 2.99 0.01 . 2 . . . . 26 PHE HB3 . 16593 1 113 . 1 1 26 26 PHE HD1 H 1 7.28 0.01 . 3 . . . . 26 PHE HD1 . 16593 1 114 . 1 1 26 26 PHE HD2 H 1 7.28 0.01 . 3 . . . . 26 PHE HD2 . 16593 1 115 . 1 1 26 26 PHE HE1 H 1 6.85 0.01 . 3 . . . . 26 PHE HE1 . 16593 1 116 . 1 1 26 26 PHE HE2 H 1 6.85 0.01 . 3 . . . . 26 PHE HE2 . 16593 1 117 . 1 1 26 26 PHE N N 15 117.4 0.1 . 1 . . . . 26 PHE N . 16593 1 118 . 1 1 27 27 GLY H H 1 8.00 0.01 . 1 . . . . 27 GLY HN . 16593 1 119 . 1 1 27 27 GLY HA2 H 1 3.84 0.01 . 2 . . . . 27 GLY HA1 . 16593 1 120 . 1 1 27 27 GLY HA3 H 1 4.44 0.01 . 2 . . . . 27 GLY HA2 . 16593 1 121 . 1 1 27 27 GLY N N 15 106.2 0.1 . 1 . . . . 27 GLY N . 16593 1 122 . 1 1 28 28 ASN H H 1 8.93 0.01 . 1 . . . . 28 ASN HN . 16593 1 123 . 1 1 28 28 ASN HA H 1 4.37 0.01 . 1 . . . . 28 ASN HA . 16593 1 124 . 1 1 28 28 ASN HB2 H 1 2.86 0.01 . 2 . . . . 28 ASN HB2 . 16593 1 125 . 1 1 28 28 ASN HB3 H 1 2.86 0.01 . 2 . . . . 28 ASN HB3 . 16593 1 126 . 1 1 28 28 ASN HD21 H 1 7.68 0.01 . 2 . . . . 28 ASN HD21 . 16593 1 127 . 1 1 28 28 ASN HD22 H 1 6.98 0.01 . 2 . . . . 28 ASN HD22 . 16593 1 128 . 1 1 28 28 ASN ND2 N 15 113.5 0.1 . 1 . . . . 28 ASN ND2 . 16593 1 129 . 1 1 29 29 ASP H H 1 8.90 0.01 . 1 . . . . 29 ASP HN . 16593 1 130 . 1 1 29 29 ASP HA H 1 4.53 0.01 . 1 . . . . 29 ASP HA . 16593 1 131 . 1 1 29 29 ASP HB2 H 1 2.77 0.01 . 2 . . . . 29 ASP HB2 . 16593 1 132 . 1 1 29 29 ASP HB3 H 1 2.71 0.01 . 2 . . . . 29 ASP HB3 . 16593 1 133 . 1 1 30 30 VAL H H 1 7.70 0.01 . 1 . . . . 30 VAL HN . 16593 1 134 . 1 1 30 30 VAL HA H 1 4.08 0.01 . 1 . . . . 30 VAL HA . 16593 1 135 . 1 1 30 30 VAL HB H 1 2.06 0.01 . 1 . . . . 30 VAL HB . 16593 1 136 . 1 1 30 30 VAL HG11 H 1 1.02 0.01 . 2 . . . . 30 VAL HG1 . 16593 1 137 . 1 1 30 30 VAL HG12 H 1 1.02 0.01 . 2 . . . . 30 VAL HG1 . 16593 1 138 . 1 1 30 30 VAL HG13 H 1 1.02 0.01 . 2 . . . . 30 VAL HG1 . 16593 1 139 . 1 1 30 30 VAL HG21 H 1 0.87 0.01 . 2 . . . . 30 VAL HG2 . 16593 1 140 . 1 1 30 30 VAL HG22 H 1 0.87 0.01 . 2 . . . . 30 VAL HG2 . 16593 1 141 . 1 1 30 30 VAL HG23 H 1 0.87 0.01 . 2 . . . . 30 VAL HG2 . 16593 1 142 . 1 1 30 30 VAL N N 15 118.3 0.1 . 1 . . . . 30 VAL N . 16593 1 143 . 1 1 31 31 VAL H H 1 7.82 0.01 . 1 . . . . 31 VAL HN . 16593 1 144 . 1 1 31 31 VAL HA H 1 4.80 0.01 . 1 . . . . 31 VAL HA . 16593 1 145 . 1 1 31 31 VAL HB H 1 1.79 0.01 . 1 . . . . 31 VAL HB . 16593 1 146 . 1 1 31 31 VAL HG11 H 1 0.59 0.01 . 2 . . . . 31 VAL HG1 . 16593 1 147 . 1 1 31 31 VAL HG12 H 1 0.59 0.01 . 2 . . . . 31 VAL HG1 . 16593 1 148 . 1 1 31 31 VAL HG13 H 1 0.59 0.01 . 2 . . . . 31 VAL HG1 . 16593 1 149 . 1 1 31 31 VAL HG21 H 1 0.62 0.01 . 2 . . . . 31 VAL HG2 . 16593 1 150 . 1 1 31 31 VAL HG22 H 1 0.62 0.01 . 2 . . . . 31 VAL HG2 . 16593 1 151 . 1 1 31 31 VAL HG23 H 1 0.62 0.01 . 2 . . . . 31 VAL HG2 . 16593 1 152 . 1 1 32 32 THR H H 1 8.54 0.01 . 1 . . . . 32 THR HN . 16593 1 153 . 1 1 32 32 THR HA H 1 4.37 0.01 . 1 . . . . 32 THR HA . 16593 1 154 . 1 1 32 32 THR HB H 1 4.11 0.01 . 1 . . . . 32 THR HB . 16593 1 155 . 1 1 32 32 THR HG21 H 1 0.89 0.01 . 1 . . . . 32 THR HG2 . 16593 1 156 . 1 1 32 32 THR HG22 H 1 0.89 0.01 . 1 . . . . 32 THR HG2 . 16593 1 157 . 1 1 32 32 THR HG23 H 1 0.89 0.01 . 1 . . . . 32 THR HG2 . 16593 1 158 . 1 1 32 32 THR N N 15 123.8 0.1 . 1 . . . . 32 THR N . 16593 1 159 . 1 1 33 33 LEU H H 1 8.58 0.01 . 1 . . . . 33 LEU HN . 16593 1 160 . 1 1 33 33 LEU HA H 1 4.72 0.01 . 1 . . . . 33 LEU HA . 16593 1 161 . 1 1 33 33 LEU HB2 H 1 1.80 0.01 . 2 . . . . 33 LEU HB2 . 16593 1 162 . 1 1 33 33 LEU HB3 H 1 1.64 0.01 . 2 . . . . 33 LEU HB3 . 16593 1 163 . 1 1 33 33 LEU HD11 H 1 0.89 0.01 . 2 . . . . 33 LEU HD1 . 16593 1 164 . 1 1 33 33 LEU HD12 H 1 0.89 0.01 . 2 . . . . 33 LEU HD1 . 16593 1 165 . 1 1 33 33 LEU HD13 H 1 0.89 0.01 . 2 . . . . 33 LEU HD1 . 16593 1 166 . 1 1 33 33 LEU HD21 H 1 0.77 0.01 . 2 . . . . 33 LEU HD2 . 16593 1 167 . 1 1 33 33 LEU HD22 H 1 0.77 0.01 . 2 . . . . 33 LEU HD2 . 16593 1 168 . 1 1 33 33 LEU HD23 H 1 0.77 0.01 . 2 . . . . 33 LEU HD2 . 16593 1 169 . 1 1 33 33 LEU HG H 1 1.53 0.01 . 1 . . . . 33 LEU HG . 16593 1 170 . 1 1 33 33 LEU N N 15 127.4 0.1 . 1 . . . . 33 LEU N . 16593 1 171 . 1 1 34 34 HIS H H 1 9.18 0.01 . 1 . . . . 34 HIS HN . 16593 1 172 . 1 1 34 34 HIS HA H 1 4.33 0.01 . 1 . . . . 34 HIS HA . 16593 1 173 . 1 1 34 34 HIS HD2 H 1 5.83 0.01 . 1 . . . . 34 HIS HD2 . 16593 1 174 . 1 1 34 34 HIS HE1 H 1 7.84 0.01 . 1 . . . . 34 HIS HE1 . 16593 1 175 . 1 1 34 34 HIS CE1 C 13 136.7 0.1 . 1 . . . . 34 HIS CE1 . 16593 1 176 . 1 1 34 34 HIS N N 15 121.5 0.1 . 1 . . . . 34 HIS N . 16593 1 177 . 1 1 35 35 ASP H H 1 8.18 0.01 . 1 . . . . 35 ASP HN . 16593 1 178 . 1 1 35 35 ASP HA H 1 3.72 0.01 . 1 . . . . 35 ASP HA . 16593 1 179 . 1 1 35 35 ASP HB2 H 1 2.63 0.01 . 2 . . . . 35 ASP HB2 . 16593 1 180 . 1 1 35 35 ASP HB3 H 1 2.38 0.01 . 2 . . . . 35 ASP HB3 . 16593 1 181 . 1 1 35 35 ASP N N 15 125.2 0.1 . 1 . . . . 35 ASP N . 16593 1 182 . 1 1 36 36 VAL H H 1 8.25 0.01 . 1 . . . . 36 VAL HN . 16593 1 183 . 1 1 36 36 VAL HA H 1 4.18 0.01 . 1 . . . . 36 VAL HA . 16593 1 184 . 1 1 36 36 VAL HB H 1 2.15 0.01 . 1 . . . . 36 VAL HB . 16593 1 185 . 1 1 36 36 VAL HG11 H 1 0.93 0.01 . 2 . . . . 36 VAL HG1 . 16593 1 186 . 1 1 36 36 VAL HG12 H 1 0.93 0.01 . 2 . . . . 36 VAL HG1 . 16593 1 187 . 1 1 36 36 VAL HG13 H 1 0.93 0.01 . 2 . . . . 36 VAL HG1 . 16593 1 188 . 1 1 36 36 VAL HG21 H 1 0.93 0.01 . 2 . . . . 36 VAL HG2 . 16593 1 189 . 1 1 36 36 VAL HG22 H 1 0.93 0.01 . 2 . . . . 36 VAL HG2 . 16593 1 190 . 1 1 36 36 VAL HG23 H 1 0.93 0.01 . 2 . . . . 36 VAL HG2 . 16593 1 191 . 1 1 36 36 VAL N N 15 122.0 0.1 . 1 . . . . 36 VAL N . 16593 1 192 . 1 1 37 37 SER H H 1 8.71 0.01 . 1 . . . . 37 SER HN . 16593 1 193 . 1 1 37 37 SER HA H 1 4.27 0.01 . 1 . . . . 37 SER HA . 16593 1 194 . 1 1 37 37 SER HB2 H 1 3.93 0.01 . 2 . . . . 37 SER HB2 . 16593 1 195 . 1 1 37 37 SER HB3 H 1 3.93 0.01 . 2 . . . . 37 SER HB3 . 16593 1 196 . 1 1 37 37 SER N N 15 116.8 0.1 . 1 . . . . 37 SER N . 16593 1 197 . 1 1 38 38 GLN H H 1 7.68 0.01 . 1 . . . . 38 GLN HN . 16593 1 198 . 1 1 38 38 GLN HA H 1 4.56 0.01 . 1 . . . . 38 GLN HA . 16593 1 199 . 1 1 38 38 GLN HB2 H 1 1.86 0.01 . 2 . . . . 38 GLN HB2 . 16593 1 200 . 1 1 38 38 GLN HB3 H 1 1.86 0.01 . 2 . . . . 38 GLN HB3 . 16593 1 201 . 1 1 38 38 GLN HE21 H 1 7.49 0.01 . 2 . . . . 38 GLN HE21 . 16593 1 202 . 1 1 38 38 GLN HE22 H 1 6.82 0.01 . 2 . . . . 38 GLN HE22 . 16593 1 203 . 1 1 38 38 GLN HG2 H 1 2.31 0.01 . 2 . . . . 38 GLN HG2 . 16593 1 204 . 1 1 38 38 GLN HG3 H 1 2.31 0.01 . 2 . . . . 38 GLN HG3 . 16593 1 205 . 1 1 38 38 GLN N N 15 119.1 0.1 . 1 . . . . 38 GLN N . 16593 1 206 . 1 1 38 38 GLN NE2 N 15 112.6 0.1 . 1 . . . . 38 GLN NE2 . 16593 1 207 . 1 1 39 39 ALA H H 1 7.36 0.01 . 1 . . . . 39 ALA HN . 16593 1 208 . 1 1 39 39 ALA HA H 1 4.58 0.01 . 1 . . . . 39 ALA HA . 16593 1 209 . 1 1 39 39 ALA HB1 H 1 1.43 0.01 . 1 . . . . 39 ALA HB . 16593 1 210 . 1 1 39 39 ALA HB2 H 1 1.43 0.01 . 1 . . . . 39 ALA HB . 16593 1 211 . 1 1 39 39 ALA HB3 H 1 1.43 0.01 . 1 . . . . 39 ALA HB . 16593 1 212 . 1 1 39 39 ALA CB C 13 20.6 0.1 . 1 . . . . 39 ALA CB . 16593 1 213 . 1 1 39 39 ALA N N 15 122.6 0.1 . 1 . . . . 39 ALA N . 16593 1 214 . 1 1 40 40 GLU H H 1 8.56 0.01 . 1 . . . . 40 GLU HN . 16593 1 215 . 1 1 40 40 GLU HA H 1 4.64 0.01 . 1 . . . . 40 GLU HA . 16593 1 216 . 1 1 40 40 GLU HB2 H 1 2.14 0.01 . 2 . . . . 40 GLU HB2 . 16593 1 217 . 1 1 40 40 GLU HB3 H 1 1.79 0.01 . 2 . . . . 40 GLU HB3 . 16593 1 218 . 1 1 40 40 GLU HG2 H 1 2.34 0.01 . 2 . . . . 40 GLU HG2 . 16593 1 219 . 1 1 40 40 GLU HG3 H 1 2.28 0.01 . 2 . . . . 40 GLU HG3 . 16593 1 220 . 1 1 41 41 VAL H H 1 9.15 0.01 . 1 . . . . 41 VAL HN . 16593 1 221 . 1 1 41 41 VAL HA H 1 3.63 0.01 . 1 . . . . 41 VAL HA . 16593 1 222 . 1 1 41 41 VAL HB H 1 2.08 0.01 . 1 . . . . 41 VAL HB . 16593 1 223 . 1 1 41 41 VAL HG11 H 1 0.93 0.01 . 2 . . . . 41 VAL HG1 . 16593 1 224 . 1 1 41 41 VAL HG12 H 1 0.93 0.01 . 2 . . . . 41 VAL HG1 . 16593 1 225 . 1 1 41 41 VAL HG13 H 1 0.93 0.01 . 2 . . . . 41 VAL HG1 . 16593 1 226 . 1 1 41 41 VAL HG21 H 1 0.93 0.01 . 2 . . . . 41 VAL HG2 . 16593 1 227 . 1 1 41 41 VAL HG22 H 1 0.93 0.01 . 2 . . . . 41 VAL HG2 . 16593 1 228 . 1 1 41 41 VAL HG23 H 1 0.93 0.01 . 2 . . . . 41 VAL HG2 . 16593 1 229 . 1 1 41 41 VAL CA C 13 65.8 0.1 . 1 . . . . 41 VAL CA . 16593 1 230 . 1 1 41 41 VAL N N 15 122.6 0.1 . 1 . . . . 41 VAL N . 16593 1 231 . 1 1 42 42 THR H H 1 7.29 0.01 . 1 . . . . 42 THR HN . 16593 1 232 . 1 1 42 42 THR HA H 1 3.87 0.01 . 1 . . . . 42 THR HA . 16593 1 233 . 1 1 42 42 THR HG21 H 1 1.21 0.01 . 1 . . . . 42 THR HG2 . 16593 1 234 . 1 1 42 42 THR HG22 H 1 1.21 0.01 . 1 . . . . 42 THR HG2 . 16593 1 235 . 1 1 42 42 THR HG23 H 1 1.21 0.01 . 1 . . . . 42 THR HG2 . 16593 1 236 . 1 1 42 42 THR N N 15 108.0 0.1 . 1 . . . . 42 THR N . 16593 1 237 . 1 1 43 43 ASP H H 1 8.12 0.01 . 1 . . . . 43 ASP HN . 16593 1 238 . 1 1 43 43 ASP HA H 1 4.44 0.01 . 1 . . . . 43 ASP HA . 16593 1 239 . 1 1 43 43 ASP HB2 H 1 2.96 0.01 . 2 . . . . 43 ASP HB2 . 16593 1 240 . 1 1 43 43 ASP HB3 H 1 2.59 0.01 . 2 . . . . 43 ASP HB3 . 16593 1 241 . 1 1 43 43 ASP N N 15 123.0 0.1 . 1 . . . . 43 ASP N . 16593 1 242 . 1 1 44 44 LEU H H 1 7.35 0.01 . 1 . . . . 44 LEU HN . 16593 1 243 . 1 1 44 44 LEU HA H 1 3.84 0.01 . 1 . . . . 44 LEU HA . 16593 1 244 . 1 1 44 44 LEU HB2 H 1 1.65 0.01 . 2 . . . . 44 LEU HB2 . 16593 1 245 . 1 1 44 44 LEU HD11 H 1 0.66 0.01 . 2 . . . . 44 LEU HD1 . 16593 1 246 . 1 1 44 44 LEU HD12 H 1 0.66 0.01 . 2 . . . . 44 LEU HD1 . 16593 1 247 . 1 1 44 44 LEU HD13 H 1 0.66 0.01 . 2 . . . . 44 LEU HD1 . 16593 1 248 . 1 1 44 44 LEU HD21 H 1 0.07 0.01 . 2 . . . . 44 LEU HD2 . 16593 1 249 . 1 1 44 44 LEU HD22 H 1 0.07 0.01 . 2 . . . . 44 LEU HD2 . 16593 1 250 . 1 1 44 44 LEU HD23 H 1 0.07 0.01 . 2 . . . . 44 LEU HD2 . 16593 1 251 . 1 1 44 44 LEU HG H 1 1.13 0.01 . 1 . . . . 44 LEU HG . 16593 1 252 . 1 1 44 44 LEU CD2 C 13 23.2 0.1 . 1 . . . . 44 LEU CD2 . 16593 1 253 . 1 1 45 45 ASN H H 1 7.43 0.01 . 1 . . . . 45 ASN HN . 16593 1 254 . 1 1 45 45 ASN HA H 1 4.16 0.01 . 1 . . . . 45 ASN HA . 16593 1 255 . 1 1 45 45 ASN HB2 H 1 2.77 0.01 . 2 . . . . 45 ASN HB2 . 16593 1 256 . 1 1 45 45 ASN HB3 H 1 1.22 0.01 . 2 . . . . 45 ASN HB3 . 16593 1 257 . 1 1 45 45 ASN HD21 H 1 7.64 0.01 . 2 . . . . 45 ASN HD21 . 16593 1 258 . 1 1 45 45 ASN HD22 H 1 7.07 0.01 . 2 . . . . 45 ASN HD22 . 16593 1 259 . 1 1 45 45 ASN N N 15 112.6 0.1 . 1 . . . . 45 ASN N . 16593 1 260 . 1 1 45 45 ASN ND2 N 15 113.2 0.1 . 1 . . . . 45 ASN ND2 . 16593 1 261 . 1 1 46 46 ASP H H 1 7.37 0.01 . 1 . . . . 46 ASP HN . 16593 1 262 . 1 1 46 46 ASP HA H 1 4.30 0.01 . 1 . . . . 46 ASP HA . 16593 1 263 . 1 1 46 46 ASP HB2 H 1 2.31 0.01 . 2 . . . . 46 ASP HB2 . 16593 1 264 . 1 1 46 46 ASP HB3 H 1 2.14 0.01 . 2 . . . . 46 ASP HB3 . 16593 1 265 . 1 1 46 46 ASP N N 15 116.9 0.1 . 1 . . . . 46 ASP N . 16593 1 266 . 1 1 47 47 TYR H H 1 6.77 0.01 . 1 . . . . 47 TYR HN . 16593 1 267 . 1 1 47 47 TYR HA H 1 4.67 0.01 . 1 . . . . 47 TYR HA . 16593 1 268 . 1 1 47 47 TYR HB2 H 1 3.31 0.01 . 2 . . . . 47 TYR HB2 . 16593 1 269 . 1 1 47 47 TYR HB3 H 1 2.54 0.01 . 2 . . . . 47 TYR HB3 . 16593 1 270 . 1 1 47 47 TYR HD1 H 1 7.05 0.01 . 3 . . . . 47 TYR HD1 . 16593 1 271 . 1 1 47 47 TYR HD2 H 1 7.05 0.01 . 3 . . . . 47 TYR HD2 . 16593 1 272 . 1 1 47 47 TYR HE1 H 1 6.80 0.01 . 3 . . . . 47 TYR HE1 . 16593 1 273 . 1 1 47 47 TYR HE2 H 1 6.80 0.01 . 3 . . . . 47 TYR HE2 . 16593 1 274 . 1 1 47 47 TYR CE1 C 13 119.6 0.1 . 1 . . . . 47 TYR CE1 . 16593 1 275 . 1 1 47 47 TYR N N 15 115.4 0.1 . 1 . . . . 47 TYR N . 16593 1 276 . 1 1 48 48 GLN H H 1 9.42 0.01 . 1 . . . . 48 GLN HN . 16593 1 277 . 1 1 48 48 GLN HA H 1 4.14 0.01 . 1 . . . . 48 GLN HA . 16593 1 278 . 1 1 48 48 GLN HB2 H 1 1.53 0.01 . 2 . . . . 48 GLN HB2 . 16593 1 279 . 1 1 48 48 GLN HB3 H 1 1.53 0.01 . 2 . . . . 48 GLN HB3 . 16593 1 280 . 1 1 48 48 GLN HE21 H 1 7.19 0.01 . 2 . . . . 48 GLN HE21 . 16593 1 281 . 1 1 48 48 GLN HE22 H 1 6.81 0.01 . 2 . . . . 48 GLN HE22 . 16593 1 282 . 1 1 48 48 GLN HG2 H 1 2.14 0.01 . 2 . . . . 48 GLN HG2 . 16593 1 283 . 1 1 48 48 GLN HG3 H 1 2.14 0.01 . 2 . . . . 48 GLN HG3 . 16593 1 284 . 1 1 48 48 GLN N N 15 121.3 0.1 . 1 . . . . 48 GLN N . 16593 1 285 . 1 1 48 48 GLN NE2 N 15 111.1 0.1 . 1 . . . . 48 GLN NE2 . 16593 1 286 . 1 1 49 49 TYR H H 1 6.86 0.01 . 1 . . . . 49 TYR HN . 16593 1 287 . 1 1 49 49 TYR HA H 1 5.21 0.01 . 1 . . . . 49 TYR HA . 16593 1 288 . 1 1 49 49 TYR HB2 H 1 2.44 0.01 . 2 . . . . 49 TYR HB2 . 16593 1 289 . 1 1 49 49 TYR HB3 H 1 2.44 0.01 . 2 . . . . 49 TYR HB3 . 16593 1 290 . 1 1 49 49 TYR HD1 H 1 6.81 0.01 . 3 . . . . 49 TYR HD1 . 16593 1 291 . 1 1 49 49 TYR HD2 H 1 6.81 0.01 . 3 . . . . 49 TYR HD2 . 16593 1 292 . 1 1 49 49 TYR CA C 13 54.3 0.1 . 1 . . . . 49 TYR CA . 16593 1 293 . 1 1 49 49 TYR N N 15 116.7 0.1 . 1 . . . . 49 TYR N . 16593 1 294 . 1 1 50 50 LEU H H 1 8.97 0.01 . 1 . . . . 50 LEU HN . 16593 1 295 . 1 1 50 50 LEU HA H 1 5.55 0.01 . 1 . . . . 50 LEU HA . 16593 1 296 . 1 1 50 50 LEU HB2 H 1 1.89 0.01 . 2 . . . . 50 LEU HB2 . 16593 1 297 . 1 1 50 50 LEU HB3 H 1 1.32 0.01 . 2 . . . . 50 LEU HB3 . 16593 1 298 . 1 1 50 50 LEU HD11 H 1 1.06 0.01 . 2 . . . . 50 LEU HD1 . 16593 1 299 . 1 1 50 50 LEU HD12 H 1 1.06 0.01 . 2 . . . . 50 LEU HD1 . 16593 1 300 . 1 1 50 50 LEU HD13 H 1 1.06 0.01 . 2 . . . . 50 LEU HD1 . 16593 1 301 . 1 1 50 50 LEU HD21 H 1 0.91 0.01 . 2 . . . . 50 LEU HD2 . 16593 1 302 . 1 1 50 50 LEU HD22 H 1 0.91 0.01 . 2 . . . . 50 LEU HD2 . 16593 1 303 . 1 1 50 50 LEU HD23 H 1 0.91 0.01 . 2 . . . . 50 LEU HD2 . 16593 1 304 . 1 1 50 50 LEU HG H 1 1.58 0.01 . 1 . . . . 50 LEU HG . 16593 1 305 . 1 1 50 50 LEU CA C 13 52.8 0.1 . 1 . . . . 50 LEU CA . 16593 1 306 . 1 1 50 50 LEU N N 15 123.3 0.1 . 1 . . . . 50 LEU N . 16593 1 307 . 1 1 51 51 ILE H H 1 8.98 0.01 . 1 . . . . 51 ILE HN . 16593 1 308 . 1 1 51 51 ILE HA H 1 5.13 0.01 . 1 . . . . 51 ILE HA . 16593 1 309 . 1 1 51 51 ILE HB H 1 1.58 0.01 . 1 . . . . 51 ILE HB . 16593 1 310 . 1 1 51 51 ILE HD11 H 1 0.48 0.01 . 1 . . . . 51 ILE HD1 . 16593 1 311 . 1 1 51 51 ILE HD12 H 1 0.48 0.01 . 1 . . . . 51 ILE HD1 . 16593 1 312 . 1 1 51 51 ILE HD13 H 1 0.48 0.01 . 1 . . . . 51 ILE HD1 . 16593 1 313 . 1 1 51 51 ILE HG12 H 1 1.44 0.01 . 2 . . . . 51 ILE HG12 . 16593 1 314 . 1 1 51 51 ILE HG13 H 1 1.06 0.01 . 2 . . . . 51 ILE HG13 . 16593 1 315 . 1 1 51 51 ILE HG21 H 1 0.76 0.01 . 1 . . . . 51 ILE HG2 . 16593 1 316 . 1 1 51 51 ILE HG22 H 1 0.76 0.01 . 1 . . . . 51 ILE HG2 . 16593 1 317 . 1 1 51 51 ILE HG23 H 1 0.76 0.01 . 1 . . . . 51 ILE HG2 . 16593 1 318 . 1 1 51 51 ILE CG2 C 13 16.2 0.1 . 1 . . . . 51 ILE CG2 . 16593 1 319 . 1 1 51 51 ILE N N 15 119.7 0.1 . 1 . . . . 51 ILE N . 16593 1 320 . 1 1 52 52 ILE H H 1 9.44 0.01 . 1 . . . . 52 ILE HN . 16593 1 321 . 1 1 52 52 ILE HA H 1 5.14 0.01 . 1 . . . . 52 ILE HA . 16593 1 322 . 1 1 52 52 ILE HB H 1 1.75 0.01 . 1 . . . . 52 ILE HB . 16593 1 323 . 1 1 52 52 ILE HD11 H 1 0.67 0.01 . 1 . . . . 52 ILE HD1 . 16593 1 324 . 1 1 52 52 ILE HD12 H 1 0.67 0.01 . 1 . . . . 52 ILE HD1 . 16593 1 325 . 1 1 52 52 ILE HD13 H 1 0.67 0.01 . 1 . . . . 52 ILE HD1 . 16593 1 326 . 1 1 52 52 ILE HG12 H 1 1.25 0.01 . 2 . . . . 52 ILE HG12 . 16593 1 327 . 1 1 52 52 ILE HG13 H 1 1.04 0.01 . 2 . . . . 52 ILE HG13 . 16593 1 328 . 1 1 52 52 ILE HG21 H 1 0.84 0.01 . 1 . . . . 52 ILE HG2 . 16593 1 329 . 1 1 52 52 ILE HG22 H 1 0.84 0.01 . 1 . . . . 52 ILE HG2 . 16593 1 330 . 1 1 52 52 ILE HG23 H 1 0.84 0.01 . 1 . . . . 52 ILE HG2 . 16593 1 331 . 1 1 52 52 ILE N N 15 129.1 0.1 . 1 . . . . 52 ILE N . 16593 1 332 . 1 1 53 53 GLY H H 1 9.24 0.01 . 1 . . . . 53 GLY HN . 16593 1 333 . 1 1 53 53 GLY N N 15 113.2 0.1 . 1 . . . . 53 GLY N . 16593 1 334 . 1 1 70 70 TYR HB2 H 1 3.12 0.01 . 2 . . . . 70 TYR HB2 . 16593 1 335 . 1 1 71 71 SER H H 1 8.06 0.01 . 1 . . . . 71 SER HN . 16593 1 336 . 1 1 71 71 SER HA H 1 4.31 0.01 . 1 . . . . 71 SER HA . 16593 1 337 . 1 1 71 71 SER HB2 H 1 4.08 0.01 . 2 . . . . 71 SER HB2 . 16593 1 338 . 1 1 71 71 SER HB3 H 1 4.08 0.01 . 2 . . . . 71 SER HB3 . 16593 1 339 . 1 1 71 71 SER N N 15 113.1 0.1 . 1 . . . . 71 SER N . 16593 1 340 . 1 1 72 72 GLU H H 1 7.81 0.01 . 1 . . . . 72 GLU HN . 16593 1 341 . 1 1 72 72 GLU HA H 1 4.52 0.01 . 1 . . . . 72 GLU HA . 16593 1 342 . 1 1 72 72 GLU HB2 H 1 2.30 0.01 . 2 . . . . 72 GLU HB2 . 16593 1 343 . 1 1 72 72 GLU HB3 H 1 1.98 0.01 . 2 . . . . 72 GLU HB3 . 16593 1 344 . 1 1 72 72 GLU HG2 H 1 2.41 0.01 . 2 . . . . 72 GLU HG2 . 16593 1 345 . 1 1 72 72 GLU HG3 H 1 2.41 0.01 . 2 . . . . 72 GLU HG3 . 16593 1 346 . 1 1 73 73 LEU H H 1 7.51 0.01 . 1 . . . . 73 LEU HN . 16593 1 347 . 1 1 73 73 LEU HA H 1 4.03 0.01 . 1 . . . . 73 LEU HA . 16593 1 348 . 1 1 73 73 LEU HB2 H 1 1.78 0.01 . 2 . . . . 73 LEU HB2 . 16593 1 349 . 1 1 73 73 LEU HB3 H 1 1.44 0.01 . 2 . . . . 73 LEU HB3 . 16593 1 350 . 1 1 73 73 LEU HD11 H 1 0.81 0.01 . 2 . . . . 73 LEU HD1 . 16593 1 351 . 1 1 73 73 LEU HD12 H 1 0.81 0.01 . 2 . . . . 73 LEU HD1 . 16593 1 352 . 1 1 73 73 LEU HD13 H 1 0.81 0.01 . 2 . . . . 73 LEU HD1 . 16593 1 353 . 1 1 73 73 LEU HD21 H 1 0.81 0.01 . 2 . . . . 73 LEU HD2 . 16593 1 354 . 1 1 73 73 LEU HD22 H 1 0.81 0.01 . 2 . . . . 73 LEU HD2 . 16593 1 355 . 1 1 73 73 LEU HD23 H 1 0.81 0.01 . 2 . . . . 73 LEU HD2 . 16593 1 356 . 1 1 74 74 ASP H H 1 7.88 0.01 . 1 . . . . 74 ASP HN . 16593 1 357 . 1 1 74 74 ASP HA H 1 4.38 0.01 . 1 . . . . 74 ASP HA . 16593 1 358 . 1 1 74 74 ASP HB2 H 1 2.60 0.01 . 2 . . . . 74 ASP HB2 . 16593 1 359 . 1 1 74 74 ASP HB3 H 1 2.71 0.01 . 2 . . . . 74 ASP HB3 . 16593 1 360 . 1 1 75 75 ASP H H 1 7.83 0.01 . 1 . . . . 75 ASP HN . 16593 1 361 . 1 1 75 75 ASP HA H 1 4.76 0.01 . 1 . . . . 75 ASP HA . 16593 1 362 . 1 1 75 75 ASP HB2 H 1 2.82 0.01 . 2 . . . . 75 ASP HB2 . 16593 1 363 . 1 1 75 75 ASP HB3 H 1 2.62 0.01 . 2 . . . . 75 ASP HB3 . 16593 1 364 . 1 1 75 75 ASP N N 15 115.9 0.1 . 1 . . . . 75 ASP N . 16593 1 365 . 1 1 76 76 VAL H H 1 7.58 0.01 . 1 . . . . 76 VAL HN . 16593 1 366 . 1 1 76 76 VAL HA H 1 3.97 0.01 . 1 . . . . 76 VAL HA . 16593 1 367 . 1 1 76 76 VAL HB H 1 1.84 0.01 . 1 . . . . 76 VAL HB . 16593 1 368 . 1 1 76 76 VAL HG11 H 1 0.69 0.01 . 2 . . . . 76 VAL HG1 . 16593 1 369 . 1 1 76 76 VAL HG12 H 1 0.69 0.01 . 2 . . . . 76 VAL HG1 . 16593 1 370 . 1 1 76 76 VAL HG13 H 1 0.69 0.01 . 2 . . . . 76 VAL HG1 . 16593 1 371 . 1 1 76 76 VAL HG21 H 1 -0.07 0.01 . 2 . . . . 76 VAL HG2 . 16593 1 372 . 1 1 76 76 VAL HG22 H 1 -0.07 0.01 . 2 . . . . 76 VAL HG2 . 16593 1 373 . 1 1 76 76 VAL HG23 H 1 -0.07 0.01 . 2 . . . . 76 VAL HG2 . 16593 1 374 . 1 1 76 76 VAL CG2 C 13 20.5 0.1 . 1 . . . . 76 VAL CG2 . 16593 1 375 . 1 1 76 76 VAL N N 15 121.4 0.1 . 1 . . . . 76 VAL N . 16593 1 376 . 1 1 77 77 ASP H H 1 8.59 0.01 . 1 . . . . 77 ASP HN . 16593 1 377 . 1 1 77 77 ASP HA H 1 4.88 0.01 . 1 . . . . 77 ASP HA . 16593 1 378 . 1 1 77 77 ASP HB2 H 1 2.55 0.01 . 2 . . . . 77 ASP HB2 . 16593 1 379 . 1 1 77 77 ASP HB3 H 1 2.86 0.01 . 2 . . . . 77 ASP HB3 . 16593 1 380 . 1 1 78 78 PHE H H 1 8.42 0.01 . 1 . . . . 78 PHE HN . 16593 1 381 . 1 1 78 78 PHE HB2 H 1 3.08 0.01 . 2 . . . . 78 PHE HB2 . 16593 1 382 . 1 1 78 78 PHE HB3 H 1 2.57 0.01 . 2 . . . . 78 PHE HB3 . 16593 1 383 . 1 1 78 78 PHE HD1 H 1 7.03 0.01 . 3 . . . . 78 PHE HD1 . 16593 1 384 . 1 1 78 78 PHE HD2 H 1 7.03 0.01 . 3 . . . . 78 PHE HD2 . 16593 1 385 . 1 1 78 78 PHE HE1 H 1 7.12 0.01 . 3 . . . . 78 PHE HE1 . 16593 1 386 . 1 1 78 78 PHE HE2 H 1 7.12 0.01 . 3 . . . . 78 PHE HE2 . 16593 1 387 . 1 1 78 78 PHE HZ H 1 6.92 0.01 . 1 . . . . 78 PHE HZ . 16593 1 388 . 1 1 78 78 PHE N N 15 123.4 0.1 . 1 . . . . 78 PHE N . 16593 1 389 . 1 1 79 79 ASN H H 1 8.59 0.01 . 1 . . . . 79 ASN HN . 16593 1 390 . 1 1 79 79 ASN HA H 1 4.44 0.01 . 1 . . . . 79 ASN HA . 16593 1 391 . 1 1 79 79 ASN HB2 H 1 3.08 0.01 . 2 . . . . 79 ASN HB2 . 16593 1 392 . 1 1 79 79 ASN HB3 H 1 2.65 0.01 . 2 . . . . 79 ASN HB3 . 16593 1 393 . 1 1 79 79 ASN HD21 H 1 8.46 0.01 . 2 . . . . 79 ASN HD21 . 16593 1 394 . 1 1 79 79 ASN HD22 H 1 7.01 0.01 . 2 . . . . 79 ASN HD22 . 16593 1 395 . 1 1 79 79 ASN N N 15 119.3 0.1 . 1 . . . . 79 ASN N . 16593 1 396 . 1 1 79 79 ASN ND2 N 15 116.3 0.1 . 1 . . . . 79 ASN ND2 . 16593 1 397 . 1 1 80 80 GLY H H 1 8.53 0.01 . 1 . . . . 80 GLY HN . 16593 1 398 . 1 1 80 80 GLY HA2 H 1 3.72 0.01 . 2 . . . . 80 GLY HA1 . 16593 1 399 . 1 1 80 80 GLY HA3 H 1 4.28 0.01 . 2 . . . . 80 GLY HA2 . 16593 1 400 . 1 1 80 80 GLY N N 15 113.6 0.1 . 1 . . . . 80 GLY N . 16593 1 401 . 1 1 81 81 LYS H H 1 8.13 0.01 . 1 . . . . 81 LYS HN . 16593 1 402 . 1 1 81 81 LYS HA H 1 4.85 0.01 . 1 . . . . 81 LYS HA . 16593 1 403 . 1 1 81 81 LYS HB2 H 1 1.99 0.01 . 2 . . . . 81 LYS HB2 . 16593 1 404 . 1 1 81 81 LYS HB3 H 1 1.46 0.01 . 2 . . . . 81 LYS HB3 . 16593 1 405 . 1 1 81 81 LYS HG2 H 1 1.30 0.01 . 2 . . . . 81 LYS HG2 . 16593 1 406 . 1 1 81 81 LYS HG3 H 1 1.30 0.01 . 2 . . . . 81 LYS HG3 . 16593 1 407 . 1 1 81 81 LYS N N 15 119.2 0.1 . 1 . . . . 81 LYS N . 16593 1 408 . 1 1 82 82 LEU H H 1 8.13 0.01 . 1 . . . . 82 LEU HN . 16593 1 409 . 1 1 82 82 LEU HA H 1 5.59 0.01 . 1 . . . . 82 LEU HA . 16593 1 410 . 1 1 82 82 LEU HB2 H 1 2.19 0.01 . 2 . . . . 82 LEU HB2 . 16593 1 411 . 1 1 82 82 LEU HB3 H 1 1.81 0.01 . 2 . . . . 82 LEU HB3 . 16593 1 412 . 1 1 82 82 LEU HD11 H 1 1.33 0.01 . 2 . . . . 82 LEU HD1 . 16593 1 413 . 1 1 82 82 LEU HD12 H 1 1.33 0.01 . 2 . . . . 82 LEU HD1 . 16593 1 414 . 1 1 82 82 LEU HD13 H 1 1.33 0.01 . 2 . . . . 82 LEU HD1 . 16593 1 415 . 1 1 82 82 LEU HD21 H 1 1.13 0.01 . 2 . . . . 82 LEU HD2 . 16593 1 416 . 1 1 82 82 LEU HD22 H 1 1.13 0.01 . 2 . . . . 82 LEU HD2 . 16593 1 417 . 1 1 82 82 LEU HD23 H 1 1.13 0.01 . 2 . . . . 82 LEU HD2 . 16593 1 418 . 1 1 82 82 LEU HG H 1 2.07 0.01 . 1 . . . . 82 LEU HG . 16593 1 419 . 1 1 82 82 LEU CA C 13 53.9 0.1 . 1 . . . . 82 LEU CA . 16593 1 420 . 1 1 82 82 LEU N N 15 124.1 0.1 . 1 . . . . 82 LEU N . 16593 1 421 . 1 1 83 83 VAL H H 1 8.92 0.01 . 1 . . . . 83 VAL HN . 16593 1 422 . 1 1 83 83 VAL HA H 1 5.12 0.01 . 1 . . . . 83 VAL HA . 16593 1 423 . 1 1 83 83 VAL HB H 1 1.86 0.01 . 1 . . . . 83 VAL HB . 16593 1 424 . 1 1 83 83 VAL HG11 H 1 0.73 0.01 . 2 . . . . 83 VAL HG1 . 16593 1 425 . 1 1 83 83 VAL HG12 H 1 0.73 0.01 . 2 . . . . 83 VAL HG1 . 16593 1 426 . 1 1 83 83 VAL HG13 H 1 0.73 0.01 . 2 . . . . 83 VAL HG1 . 16593 1 427 . 1 1 83 83 VAL HG21 H 1 0.48 0.01 . 2 . . . . 83 VAL HG2 . 16593 1 428 . 1 1 83 83 VAL HG22 H 1 0.48 0.01 . 2 . . . . 83 VAL HG2 . 16593 1 429 . 1 1 83 83 VAL HG23 H 1 0.48 0.01 . 2 . . . . 83 VAL HG2 . 16593 1 430 . 1 1 83 83 VAL CG1 C 13 20.6 0.1 . 1 . . . . 83 VAL CG1 . 16593 1 431 . 1 1 83 83 VAL CG2 C 13 21.0 0.1 . 1 . . . . 83 VAL CG2 . 16593 1 432 . 1 1 83 83 VAL N N 15 122.9 0.1 . 1 . . . . 83 VAL N . 16593 1 433 . 1 1 84 84 ALA H H 1 8.84 0.01 . 1 . . . . 84 ALA HN . 16593 1 434 . 1 1 84 84 ALA HA H 1 5.38 0.01 . 1 . . . . 84 ALA HA . 16593 1 435 . 1 1 84 84 ALA HB1 H 1 1.44 0.01 . 1 . . . . 84 ALA HB . 16593 1 436 . 1 1 84 84 ALA HB2 H 1 1.44 0.01 . 1 . . . . 84 ALA HB . 16593 1 437 . 1 1 84 84 ALA HB3 H 1 1.44 0.01 . 1 . . . . 84 ALA HB . 16593 1 438 . 1 1 84 84 ALA CA C 13 49.5 0.1 . 1 . . . . 84 ALA CA . 16593 1 439 . 1 1 84 84 ALA N N 15 129.2 0.1 . 1 . . . . 84 ALA N . 16593 1 440 . 1 1 85 85 TYR H H 1 9.67 0.01 . 1 . . . . 85 TYR HN . 16593 1 441 . 1 1 85 85 TYR HA H 1 5.79 0.01 . 1 . . . . 85 TYR HA . 16593 1 442 . 1 1 85 85 TYR HB2 H 1 2.62 0.01 . 2 . . . . 85 TYR HB2 . 16593 1 443 . 1 1 85 85 TYR HB3 H 1 2.67 0.01 . 2 . . . . 85 TYR HB3 . 16593 1 444 . 1 1 86 86 PHE H H 1 9.03 0.01 . 1 . . . . 86 PHE HN . 16593 1 445 . 1 1 86 86 PHE HA H 1 5.15 0.01 . 1 . . . . 86 PHE HA . 16593 1 446 . 1 1 89 89 GLY H H 1 8.24 0.01 . 1 . . . . 89 GLY HN . 16593 1 447 . 1 1 89 89 GLY HA2 H 1 4.55 0.01 . 2 . . . . 89 GLY HA1 . 16593 1 448 . 1 1 89 89 GLY HA3 H 1 3.75 0.01 . 2 . . . . 89 GLY HA2 . 16593 1 449 . 1 1 89 89 GLY N N 15 108.7 0.1 . 1 . . . . 89 GLY N . 16593 1 450 . 1 1 92 92 ILE H H 1 7.92 0.01 . 1 . . . . 92 ILE HN . 16593 1 451 . 1 1 92 92 ILE HA H 1 4.12 0.01 . 1 . . . . 92 ILE HA . 16593 1 452 . 1 1 92 92 ILE HB H 1 1.88 0.01 . 1 . . . . 92 ILE HB . 16593 1 453 . 1 1 92 92 ILE HG12 H 1 1.19 0.01 . 2 . . . . 92 ILE HG12 . 16593 1 454 . 1 1 92 92 ILE HG21 H 1 0.90 0.01 . 1 . . . . 92 ILE HG2 . 16593 1 455 . 1 1 92 92 ILE HG22 H 1 0.90 0.01 . 1 . . . . 92 ILE HG2 . 16593 1 456 . 1 1 92 92 ILE HG23 H 1 0.90 0.01 . 1 . . . . 92 ILE HG2 . 16593 1 457 . 1 1 94 94 TYR HA H 1 4.81 0.01 . 1 . . . . 94 TYR HA . 16593 1 458 . 1 1 95 95 ALA H H 1 7.95 0.01 . 1 . . . . 95 ALA HN . 16593 1 459 . 1 1 95 95 ALA HA H 1 4.24 0.01 . 1 . . . . 95 ALA HA . 16593 1 460 . 1 1 95 95 ALA HB1 H 1 1.36 0.01 . 1 . . . . 95 ALA HB . 16593 1 461 . 1 1 95 95 ALA HB2 H 1 1.36 0.01 . 1 . . . . 95 ALA HB . 16593 1 462 . 1 1 95 95 ALA HB3 H 1 1.36 0.01 . 1 . . . . 95 ALA HB . 16593 1 463 . 1 1 95 95 ALA N N 15 122.9 0.1 . 1 . . . . 95 ALA N . 16593 1 464 . 1 1 102 102 ILE HB H 1 1.82 0.01 . 1 . . . . 102 ILE HB . 16593 1 465 . 1 1 102 102 ILE HG12 H 1 1.68 0.01 . 2 . . . . 102 ILE HG12 . 16593 1 466 . 1 1 102 102 ILE HG13 H 1 1.47 0.01 . 2 . . . . 102 ILE HG13 . 16593 1 467 . 1 1 103 103 GLY H H 1 7.19 0.01 . 1 . . . . 103 GLY HN . 16593 1 468 . 1 1 103 103 GLY HA2 H 1 3.36 0.01 . 2 . . . . 103 GLY HA1 . 16593 1 469 . 1 1 103 103 GLY HA3 H 1 3.05 0.01 . 2 . . . . 103 GLY HA2 . 16593 1 470 . 1 1 103 103 GLY N N 15 110.0 0.1 . 1 . . . . 103 GLY N . 16593 1 471 . 1 1 106 106 GLU H H 1 7.84 0.01 . 1 . . . . 106 GLU HN . 16593 1 472 . 1 1 106 106 GLU HA H 1 3.85 0.01 . 1 . . . . 106 GLU HA . 16593 1 473 . 1 1 106 106 GLU HB2 H 1 1.59 0.01 . 2 . . . . 106 GLU HB2 . 16593 1 474 . 1 1 108 108 LYS HA H 1 4.04 0.01 . 1 . . . . 108 LYS HA . 16593 1 475 . 1 1 109 109 ILE HA H 1 2.91 0.01 . 1 . . . . 109 ILE HA . 16593 1 476 . 1 1 109 109 ILE HB H 1 1.79 0.01 . 1 . . . . 109 ILE HB . 16593 1 477 . 1 1 109 109 ILE HD11 H 1 0.73 0.01 . 1 . . . . 109 ILE HD1 . 16593 1 478 . 1 1 109 109 ILE HD12 H 1 0.73 0.01 . 1 . . . . 109 ILE HD1 . 16593 1 479 . 1 1 109 109 ILE HD13 H 1 0.73 0.01 . 1 . . . . 109 ILE HD1 . 16593 1 480 . 1 1 109 109 ILE HG21 H 1 0.14 0.01 . 1 . . . . 109 ILE HG2 . 16593 1 481 . 1 1 109 109 ILE HG22 H 1 0.14 0.01 . 1 . . . . 109 ILE HG2 . 16593 1 482 . 1 1 109 109 ILE HG23 H 1 0.14 0.01 . 1 . . . . 109 ILE HG2 . 16593 1 483 . 1 1 109 109 ILE CG2 C 13 16.9 0.1 . 1 . . . . 109 ILE CG2 . 16593 1 484 . 1 1 110 110 SER HA H 1 4.83 0.01 . 1 . . . . 110 SER HA . 16593 1 485 . 1 1 110 110 SER HB2 H 1 4.05 0.01 . 2 . . . . 110 SER HB2 . 16593 1 486 . 1 1 110 110 SER HB3 H 1 3.95 0.01 . 2 . . . . 110 SER HB3 . 16593 1 487 . 1 1 111 111 GLN H H 1 8.25 0.01 . 1 . . . . 111 GLN HN . 16593 1 488 . 1 1 111 111 GLN HA H 1 4.16 0.01 . 1 . . . . 111 GLN HA . 16593 1 489 . 1 1 111 111 GLN HB2 H 1 2.35 0.01 . 2 . . . . 111 GLN HB2 . 16593 1 490 . 1 1 111 111 GLN HB3 H 1 2.24 0.01 . 2 . . . . 111 GLN HB3 . 16593 1 491 . 1 1 111 111 GLN HE21 H 1 7.60 0.01 . 2 . . . . 111 GLN HE21 . 16593 1 492 . 1 1 111 111 GLN HE22 H 1 6.84 0.01 . 2 . . . . 111 GLN HE22 . 16593 1 493 . 1 1 111 111 GLN HG2 H 1 2.66 0.01 . 2 . . . . 111 GLN HG2 . 16593 1 494 . 1 1 111 111 GLN HG3 H 1 2.51 0.01 . 2 . . . . 111 GLN HG3 . 16593 1 495 . 1 1 111 111 GLN N N 15 123.8 0.1 . 1 . . . . 111 GLN N . 16593 1 496 . 1 1 111 111 GLN NE2 N 15 111.7 0.1 . 1 . . . . 111 GLN NE2 . 16593 1 497 . 1 1 112 112 ARG H H 1 7.41 0.01 . 1 . . . . 112 ARG HN . 16593 1 498 . 1 1 112 112 ARG HA H 1 4.45 0.01 . 1 . . . . 112 ARG HA . 16593 1 499 . 1 1 112 112 ARG HB2 H 1 1.90 0.01 . 2 . . . . 112 ARG HB2 . 16593 1 500 . 1 1 112 112 ARG HB3 H 1 1.90 0.01 . 2 . . . . 112 ARG HB3 . 16593 1 501 . 1 1 112 112 ARG N N 15 116.8 0.1 . 1 . . . . 112 ARG N . 16593 1 502 . 1 1 113 113 GLY H H 1 7.73 0.01 . 1 . . . . 113 GLY HN . 16593 1 503 . 1 1 113 113 GLY HA2 H 1 4.51 0.01 . 2 . . . . 113 GLY HA1 . 16593 1 504 . 1 1 113 113 GLY HA3 H 1 3.72 0.01 . 2 . . . . 113 GLY HA2 . 16593 1 505 . 1 1 113 113 GLY N N 15 106.5 0.1 . 1 . . . . 113 GLY N . 16593 1 506 . 1 1 114 114 GLY H H 1 8.43 0.01 . 1 . . . . 114 GLY HN . 16593 1 507 . 1 1 114 114 GLY HA2 H 1 4.24 0.01 . 2 . . . . 114 GLY HA1 . 16593 1 508 . 1 1 114 114 GLY HA3 H 1 3.08 0.01 . 2 . . . . 114 GLY HA2 . 16593 1 509 . 1 1 114 114 GLY N N 15 110.2 0.1 . 1 . . . . 114 GLY N . 16593 1 510 . 1 1 115 115 LYS H H 1 8.12 0.01 . 1 . . . . 115 LYS HN . 16593 1 511 . 1 1 115 115 LYS HA H 1 4.82 0.01 . 1 . . . . 115 LYS HA . 16593 1 512 . 1 1 115 115 LYS HB2 H 1 2.07 0.01 . 2 . . . . 115 LYS HB2 . 16593 1 513 . 1 1 115 115 LYS HB3 H 1 1.89 0.01 . 2 . . . . 115 LYS HB3 . 16593 1 514 . 1 1 115 115 LYS HG2 H 1 1.57 0.01 . 2 . . . . 115 LYS HG2 . 16593 1 515 . 1 1 115 115 LYS HG3 H 1 1.33 0.01 . 2 . . . . 115 LYS HG3 . 16593 1 516 . 1 1 115 115 LYS N N 15 125.0 0.1 . 1 . . . . 115 LYS N . 16593 1 517 . 1 1 116 116 THR H H 1 8.80 0.01 . 1 . . . . 116 THR HN . 16593 1 518 . 1 1 116 116 THR HA H 1 5.39 0.01 . 1 . . . . 116 THR HA . 16593 1 519 . 1 1 116 116 THR HB H 1 4.15 0.01 . 1 . . . . 116 THR HB . 16593 1 520 . 1 1 116 116 THR HG21 H 1 1.23 0.01 . 1 . . . . 116 THR HG2 . 16593 1 521 . 1 1 116 116 THR HG22 H 1 1.23 0.01 . 1 . . . . 116 THR HG2 . 16593 1 522 . 1 1 116 116 THR HG23 H 1 1.23 0.01 . 1 . . . . 116 THR HG2 . 16593 1 523 . 1 1 116 116 THR CA C 13 62.8 0.1 . 1 . . . . 116 THR CA . 16593 1 524 . 1 1 116 116 THR N N 15 125.8 0.1 . 1 . . . . 116 THR N . 16593 1 525 . 1 1 117 117 VAL H H 1 9.11 0.01 . 1 . . . . 117 VAL HN . 16593 1 526 . 1 1 117 117 VAL HA H 1 4.66 0.01 . 1 . . . . 117 VAL HA . 16593 1 527 . 1 1 117 117 VAL HB H 1 2.34 0.01 . 1 . . . . 117 VAL HB . 16593 1 528 . 1 1 117 117 VAL HG11 H 1 1.04 0.01 . 2 . . . . 117 VAL HG1 . 16593 1 529 . 1 1 117 117 VAL HG12 H 1 1.04 0.01 . 2 . . . . 117 VAL HG1 . 16593 1 530 . 1 1 117 117 VAL HG13 H 1 1.04 0.01 . 2 . . . . 117 VAL HG1 . 16593 1 531 . 1 1 117 117 VAL HG21 H 1 0.53 0.01 . 2 . . . . 117 VAL HG2 . 16593 1 532 . 1 1 117 117 VAL HG22 H 1 0.53 0.01 . 2 . . . . 117 VAL HG2 . 16593 1 533 . 1 1 117 117 VAL HG23 H 1 0.53 0.01 . 2 . . . . 117 VAL HG2 . 16593 1 534 . 1 1 117 117 VAL CG2 C 13 19.4 0.1 . 1 . . . . 117 VAL CG2 . 16593 1 535 . 1 1 117 117 VAL N N 15 121.3 0.1 . 1 . . . . 117 VAL N . 16593 1 536 . 1 1 123 123 ASP H H 1 8.17 0.01 . 1 . . . . 123 ASP HN . 16593 1 537 . 1 1 123 123 ASP HA H 1 4.55 0.01 . 1 . . . . 123 ASP HA . 16593 1 538 . 1 1 123 123 ASP HB2 H 1 2.63 0.01 . 2 . . . . 123 ASP HB2 . 16593 1 539 . 1 1 123 123 ASP HB3 H 1 2.59 0.01 . 2 . . . . 123 ASP HB3 . 16593 1 540 . 1 1 123 123 ASP N N 15 122.0 0.1 . 1 . . . . 123 ASP N . 16593 1 541 . 1 1 126 126 ASP H H 1 8.24 0.01 . 1 . . . . 126 ASP HN . 16593 1 542 . 1 1 126 126 ASP HA H 1 4.56 0.01 . 1 . . . . 126 ASP HA . 16593 1 543 . 1 1 126 126 ASP HB2 H 1 2.64 0.01 . 2 . . . . 126 ASP HB2 . 16593 1 544 . 1 1 126 126 ASP HB3 H 1 2.49 0.01 . 2 . . . . 126 ASP HB3 . 16593 1 545 . 1 1 126 126 ASP N N 15 122.5 0.1 . 1 . . . . 126 ASP N . 16593 1 546 . 1 1 127 127 PHE H H 1 8.06 0.01 . 1 . . . . 127 PHE HN . 16593 1 547 . 1 1 127 127 PHE HA H 1 4.44 0.01 . 1 . . . . 127 PHE HA . 16593 1 548 . 1 1 127 127 PHE HB2 H 1 3.12 0.01 . 2 . . . . 127 PHE HB2 . 16593 1 549 . 1 1 127 127 PHE HB3 H 1 3.02 0.01 . 2 . . . . 127 PHE HB3 . 16593 1 550 . 1 1 127 127 PHE HD1 H 1 7.23 0.01 . 3 . . . . 127 PHE HD1 . 16593 1 551 . 1 1 127 127 PHE HD2 H 1 7.23 0.01 . 3 . . . . 127 PHE HD2 . 16593 1 552 . 1 1 127 127 PHE HE1 H 1 7.32 0.01 . 3 . . . . 127 PHE HE1 . 16593 1 553 . 1 1 127 127 PHE HE2 H 1 7.32 0.01 . 3 . . . . 127 PHE HE2 . 16593 1 554 . 1 1 127 127 PHE N N 15 121.2 0.1 . 1 . . . . 127 PHE N . 16593 1 555 . 1 1 128 128 ASN HB2 H 1 2.79 0.01 . 2 . . . . 128 ASN HB2 . 16593 1 556 . 1 1 128 128 ASN HB3 H 1 2.75 0.01 . 2 . . . . 128 ASN HB3 . 16593 1 557 . 1 1 128 128 ASN HD21 H 1 7.69 0.01 . 2 . . . . 128 ASN HD21 . 16593 1 558 . 1 1 128 128 ASN HD22 H 1 6.91 0.01 . 2 . . . . 128 ASN HD22 . 16593 1 559 . 1 1 128 128 ASN ND2 N 15 113.6 0.1 . 1 . . . . 128 ASN ND2 . 16593 1 560 . 1 1 141 141 LEU HA H 1 2.90 0.01 . 1 . . . . 141 LEU HA . 16593 1 561 . 1 1 141 141 LEU CA C 13 57.1 0.1 . 1 . . . . 141 LEU CA . 16593 1 562 . 1 1 144 144 ASP H H 1 8.45 0.01 . 1 . . . . 144 ASP HN . 16593 1 563 . 1 1 144 144 ASP HA H 1 4.65 0.01 . 1 . . . . 144 ASP HA . 16593 1 564 . 1 1 144 144 ASP HB2 H 1 2.78 0.01 . 2 . . . . 144 ASP HB2 . 16593 1 565 . 1 1 144 144 ASP HB3 H 1 2.65 0.01 . 2 . . . . 144 ASP HB3 . 16593 1 566 . 1 1 145 145 GLU H H 1 8.62 0.01 . 1 . . . . 145 GLU HN . 16593 1 567 . 1 1 145 145 GLU HA H 1 4.20 0.01 . 1 . . . . 145 GLU HA . 16593 1 568 . 1 1 145 145 GLU HB2 H 1 2.09 0.01 . 2 . . . . 145 GLU HB2 . 16593 1 569 . 1 1 145 145 GLU HB3 H 1 1.96 0.01 . 2 . . . . 145 GLU HB3 . 16593 1 570 . 1 1 145 145 GLU HG2 H 1 2.27 0.01 . 2 . . . . 145 GLU HG2 . 16593 1 571 . 1 1 145 145 GLU HG3 H 1 2.27 0.01 . 2 . . . . 145 GLU HG3 . 16593 1 572 . 1 1 145 145 GLU N N 15 121.5 0.1 . 1 . . . . 145 GLU N . 16593 1 573 . 1 1 146 146 ASP H H 1 8.09 0.01 . 1 . . . . 146 ASP HN . 16593 1 574 . 1 1 146 146 ASP HA H 1 4.60 0.01 . 1 . . . . 146 ASP HA . 16593 1 575 . 1 1 146 146 ASP HB2 H 1 2.76 0.01 . 2 . . . . 146 ASP HB2 . 16593 1 576 . 1 1 146 146 ASP HB3 H 1 2.64 0.01 . 2 . . . . 146 ASP HB3 . 16593 1 577 . 1 1 146 146 ASP N N 15 120.4 0.1 . 1 . . . . 146 ASP N . 16593 1 578 . 1 1 147 147 ASN H H 1 8.44 0.01 . 1 . . . . 147 ASN HN . 16593 1 579 . 1 1 147 147 ASN HB2 H 1 2.78 0.01 . 2 . . . . 147 ASN HB2 . 16593 1 580 . 1 1 147 147 ASN HB3 H 1 2.78 0.01 . 2 . . . . 147 ASN HB3 . 16593 1 581 . 1 1 147 147 ASN HD21 H 1 7.77 0.01 . 2 . . . . 147 ASN HD21 . 16593 1 582 . 1 1 147 147 ASN HD22 H 1 6.95 0.01 . 2 . . . . 147 ASN HD22 . 16593 1 583 . 1 1 147 147 ASN N N 15 122.0 0.1 . 1 . . . . 147 ASN N . 16593 1 584 . 1 1 147 147 ASN ND2 N 15 113.5 0.1 . 1 . . . . 147 ASN ND2 . 16593 1 585 . 1 1 149 149 SER H H 1 8.80 0.01 . 1 . . . . 149 SER HN . 16593 1 586 . 1 1 149 149 SER HA H 1 4.32 0.01 . 1 . . . . 149 SER HA . 16593 1 587 . 1 1 152 152 THR H H 1 8.20 0.01 . 1 . . . . 152 THR HN . 16593 1 588 . 1 1 152 152 THR HA H 1 4.23 0.01 . 1 . . . . 152 THR HA . 16593 1 589 . 1 1 152 152 THR HB H 1 4.09 0.01 . 1 . . . . 152 THR HB . 16593 1 590 . 1 1 152 152 THR HG21 H 1 1.19 0.01 . 1 . . . . 152 THR HG2 . 16593 1 591 . 1 1 152 152 THR HG22 H 1 1.19 0.01 . 1 . . . . 152 THR HG2 . 16593 1 592 . 1 1 152 152 THR HG23 H 1 1.19 0.01 . 1 . . . . 152 THR HG2 . 16593 1 593 . 1 1 153 153 ASP H H 1 8.38 0.01 . 1 . . . . 153 ASP HN . 16593 1 594 . 1 1 153 153 ASP HA H 1 4.51 0.01 . 1 . . . . 153 ASP HA . 16593 1 595 . 1 1 153 153 ASP HB2 H 1 2.75 0.01 . 2 . . . . 153 ASP HB2 . 16593 1 596 . 1 1 153 153 ASP HB3 H 1 2.66 0.01 . 2 . . . . 153 ASP HB3 . 16593 1 597 . 1 1 153 153 ASP N N 15 122.2 0.1 . 1 . . . . 153 ASP N . 16593 1 598 . 1 1 154 154 ASP H H 1 8.29 0.01 . 1 . . . . 154 ASP HN . 16593 1 599 . 1 1 154 154 ASP HA H 1 4.52 0.01 . 1 . . . . 154 ASP HA . 16593 1 600 . 1 1 154 154 ASP HB2 H 1 2.76 0.01 . 2 . . . . 154 ASP HB2 . 16593 1 601 . 1 1 154 154 ASP HB3 H 1 2.76 0.01 . 2 . . . . 154 ASP HB3 . 16593 1 602 . 1 1 154 154 ASP N N 15 120.8 0.1 . 1 . . . . 154 ASP N . 16593 1 603 . 1 1 155 155 ARG H H 1 8.37 0.01 . 1 . . . . 155 ARG HN . 16593 1 604 . 1 1 155 155 ARG HA H 1 4.17 0.01 . 1 . . . . 155 ARG HA . 16593 1 605 . 1 1 155 155 ARG HB2 H 1 1.96 0.01 . 2 . . . . 155 ARG HB2 . 16593 1 606 . 1 1 155 155 ARG HB3 H 1 1.71 0.01 . 2 . . . . 155 ARG HB3 . 16593 1 607 . 1 1 155 155 ARG HG2 H 1 1.57 0.01 . 2 . . . . 155 ARG HG2 . 16593 1 608 . 1 1 155 155 ARG HG3 H 1 1.57 0.01 . 2 . . . . 155 ARG HG3 . 16593 1 609 . 1 1 155 155 ARG N N 15 121.6 0.1 . 1 . . . . 155 ARG N . 16593 1 610 . 1 1 156 156 ILE H H 1 8.21 0.01 . 1 . . . . 156 ILE HN . 16593 1 611 . 1 1 156 156 ILE HA H 1 3.55 0.01 . 1 . . . . 156 ILE HA . 16593 1 612 . 1 1 156 156 ILE HB H 1 1.92 0.01 . 1 . . . . 156 ILE HB . 16593 1 613 . 1 1 156 156 ILE HG21 H 1 0.73 0.01 . 1 . . . . 156 ILE HG2 . 16593 1 614 . 1 1 156 156 ILE HG22 H 1 0.73 0.01 . 1 . . . . 156 ILE HG2 . 16593 1 615 . 1 1 156 156 ILE HG23 H 1 0.73 0.01 . 1 . . . . 156 ILE HG2 . 16593 1 616 . 1 1 156 156 ILE CG2 C 13 18.4 0.1 . 1 . . . . 156 ILE CG2 . 16593 1 617 . 1 1 156 156 ILE N N 15 118.5 0.1 . 1 . . . . 156 ILE N . 16593 1 618 . 1 1 157 157 LYS H H 1 8.09 0.01 . 1 . . . . 157 LYS HN . 16593 1 619 . 1 1 157 157 LYS HA H 1 3.61 0.01 . 1 . . . . 157 LYS HA . 16593 1 620 . 1 1 157 157 LYS HB2 H 1 1.86 0.01 . 2 . . . . 157 LYS HB2 . 16593 1 621 . 1 1 157 157 LYS HB3 H 1 1.79 0.01 . 2 . . . . 157 LYS HB3 . 16593 1 622 . 1 1 157 157 LYS HD2 H 1 1.66 0.01 . 2 . . . . 157 LYS HD2 . 16593 1 623 . 1 1 157 157 LYS HD3 H 1 1.66 0.01 . 2 . . . . 157 LYS HD3 . 16593 1 624 . 1 1 157 157 LYS HG2 H 1 1.53 0.01 . 2 . . . . 157 LYS HG2 . 16593 1 625 . 1 1 157 157 LYS HG3 H 1 1.53 0.01 . 2 . . . . 157 LYS HG3 . 16593 1 626 . 1 1 157 157 LYS N N 15 118.8 0.1 . 1 . . . . 157 LYS N . 16593 1 627 . 1 1 158 158 SER H H 1 8.36 0.01 . 1 . . . . 158 SER HN . 16593 1 628 . 1 1 158 158 SER HA H 1 4.46 0.01 . 1 . . . . 158 SER HA . 16593 1 629 . 1 1 158 158 SER HB2 H 1 3.95 0.01 . 2 . . . . 158 SER HB2 . 16593 1 630 . 1 1 158 158 SER HB3 H 1 3.95 0.01 . 2 . . . . 158 SER HB3 . 16593 1 631 . 1 1 158 158 SER N N 15 116.5 0.1 . 1 . . . . 158 SER N . 16593 1 632 . 1 1 159 159 TRP HE3 H 1 7.01 0.01 . 1 . . . . 159 TRP HE3 . 16593 1 633 . 1 1 159 159 TRP HH2 H 1 6.91 0.01 . 1 . . . . 159 TRP HH2 . 16593 1 634 . 1 1 159 159 TRP HZ2 H 1 7.62 0.01 . 1 . . . . 159 TRP HZ2 . 16593 1 635 . 1 1 159 159 TRP HZ3 H 1 6.55 0.01 . 1 . . . . 159 TRP HZ3 . 16593 1 636 . 1 1 160 160 VAL H H 1 8.61 0.01 . 1 . . . . 160 VAL HN . 16593 1 637 . 1 1 160 160 VAL HA H 1 2.91 0.01 . 1 . . . . 160 VAL HA . 16593 1 638 . 1 1 160 160 VAL HB H 1 1.87 0.01 . 1 . . . . 160 VAL HB . 16593 1 639 . 1 1 160 160 VAL HG11 H 1 0.85 0.01 . 2 . . . . 160 VAL HG1 . 16593 1 640 . 1 1 160 160 VAL HG12 H 1 0.85 0.01 . 2 . . . . 160 VAL HG1 . 16593 1 641 . 1 1 160 160 VAL HG13 H 1 0.85 0.01 . 2 . . . . 160 VAL HG1 . 16593 1 642 . 1 1 160 160 VAL HG21 H 1 -0.22 0.01 . 2 . . . . 160 VAL HG2 . 16593 1 643 . 1 1 160 160 VAL HG22 H 1 -0.22 0.01 . 2 . . . . 160 VAL HG2 . 16593 1 644 . 1 1 160 160 VAL HG23 H 1 -0.22 0.01 . 2 . . . . 160 VAL HG2 . 16593 1 645 . 1 1 160 160 VAL CA C 13 67.1 0.1 . 1 . . . . 160 VAL CA . 16593 1 646 . 1 1 160 160 VAL CG2 C 13 19.6 0.1 . 1 . . . . 160 VAL CG2 . 16593 1 647 . 1 1 161 161 ALA H H 1 7.57 0.01 . 1 . . . . 161 ALA HN . 16593 1 648 . 1 1 161 161 ALA HA H 1 3.86 0.01 . 1 . . . . 161 ALA HA . 16593 1 649 . 1 1 161 161 ALA HB1 H 1 1.47 0.01 . 1 . . . . 161 ALA HB . 16593 1 650 . 1 1 161 161 ALA HB2 H 1 1.47 0.01 . 1 . . . . 161 ALA HB . 16593 1 651 . 1 1 161 161 ALA HB3 H 1 1.47 0.01 . 1 . . . . 161 ALA HB . 16593 1 652 . 1 1 161 161 ALA CA C 13 55.5 0.1 . 1 . . . . 161 ALA CA . 16593 1 653 . 1 1 161 161 ALA CB C 13 17.5 0.1 . 1 . . . . 161 ALA CB . 16593 1 654 . 1 1 161 161 ALA N N 15 120.7 0.1 . 1 . . . . 161 ALA N . 16593 1 655 . 1 1 162 162 GLN H H 1 7.69 0.01 . 1 . . . . 162 GLN HN . 16593 1 656 . 1 1 162 162 GLN HA H 1 4.01 0.01 . 1 . . . . 162 GLN HA . 16593 1 657 . 1 1 162 162 GLN HB2 H 1 2.22 0.01 . 2 . . . . 162 GLN HB2 . 16593 1 658 . 1 1 162 162 GLN N N 15 120.4 0.1 . 1 . . . . 162 GLN N . 16593 1 659 . 1 1 163 163 LEU H H 1 8.54 0.01 . 1 . . . . 163 LEU HN . 16593 1 660 . 1 1 163 163 LEU HA H 1 3.38 0.01 . 1 . . . . 163 LEU HA . 16593 1 661 . 1 1 163 163 LEU HB2 H 1 1.59 0.01 . 2 . . . . 163 LEU HB2 . 16593 1 662 . 1 1 163 163 LEU HB3 H 1 0.64 0.01 . 2 . . . . 163 LEU HB3 . 16593 1 663 . 1 1 163 163 LEU HD11 H 1 -0.12 0.01 . 2 . . . . 163 LEU HD1 . 16593 1 664 . 1 1 163 163 LEU HD12 H 1 -0.12 0.01 . 2 . . . . 163 LEU HD1 . 16593 1 665 . 1 1 163 163 LEU HD13 H 1 -0.12 0.01 . 2 . . . . 163 LEU HD1 . 16593 1 666 . 1 1 163 163 LEU HD21 H 1 -0.49 0.01 . 2 . . . . 163 LEU HD2 . 16593 1 667 . 1 1 163 163 LEU HD22 H 1 -0.49 0.01 . 2 . . . . 163 LEU HD2 . 16593 1 668 . 1 1 163 163 LEU HD23 H 1 -0.49 0.01 . 2 . . . . 163 LEU HD2 . 16593 1 669 . 1 1 163 163 LEU HG H 1 0.59 0.01 . 1 . . . . 163 LEU HG . 16593 1 670 . 1 1 163 163 LEU CA C 13 57.3 0.1 . 1 . . . . 163 LEU CA . 16593 1 671 . 1 1 163 163 LEU CD1 C 13 21.9 0.1 . 1 . . . . 163 LEU CD1 . 16593 1 672 . 1 1 163 163 LEU CD2 C 13 24.0 0.1 . 1 . . . . 163 LEU CD2 . 16593 1 673 . 1 1 164 164 LYS H H 1 8.73 0.01 . 1 . . . . 164 LYS HN . 16593 1 674 . 1 1 164 164 LYS HA H 1 3.84 0.01 . 1 . . . . 164 LYS HA . 16593 1 675 . 1 1 164 164 LYS HB2 H 1 1.93 0.01 . 2 . . . . 164 LYS HB2 . 16593 1 676 . 1 1 164 164 LYS HB3 H 1 1.83 0.01 . 2 . . . . 164 LYS HB3 . 16593 1 677 . 1 1 164 164 LYS HD2 H 1 1.62 0.01 . 2 . . . . 164 LYS HD2 . 16593 1 678 . 1 1 164 164 LYS HD3 H 1 1.62 0.01 . 2 . . . . 164 LYS HD3 . 16593 1 679 . 1 1 164 164 LYS HG2 H 1 1.52 0.01 . 2 . . . . 164 LYS HG2 . 16593 1 680 . 1 1 164 164 LYS HG3 H 1 1.28 0.01 . 2 . . . . 164 LYS HG3 . 16593 1 681 . 1 1 164 164 LYS N N 15 118.7 0.1 . 1 . . . . 164 LYS N . 16593 1 682 . 1 1 165 165 SER H H 1 7.13 0.01 . 1 . . . . 165 SER HN . 16593 1 683 . 1 1 165 165 SER HA H 1 4.38 0.01 . 1 . . . . 165 SER HA . 16593 1 684 . 1 1 165 165 SER HB2 H 1 4.10 0.01 . 2 . . . . 165 SER HB2 . 16593 1 685 . 1 1 165 165 SER HB3 H 1 4.03 0.01 . 2 . . . . 165 SER HB3 . 16593 1 686 . 1 1 165 165 SER N N 15 111.8 0.1 . 1 . . . . 165 SER N . 16593 1 687 . 1 1 166 166 GLU H H 1 8.54 0.01 . 1 . . . . 166 GLU HN . 16593 1 688 . 1 1 166 166 GLU HG2 H 1 2.26 0.01 . 2 . . . . 166 GLU HG2 . 16593 1 689 . 1 1 166 166 GLU HG3 H 1 2.55 0.01 . 2 . . . . 166 GLU HG3 . 16593 1 690 . 1 1 167 167 PHE H H 1 9.23 0.01 . 1 . . . . 167 PHE HN . 16593 1 691 . 1 1 167 167 PHE HA H 1 4.72 0.01 . 1 . . . . 167 PHE HA . 16593 1 692 . 1 1 167 167 PHE HB2 H 1 2.55 0.01 . 2 . . . . 167 PHE HB2 . 16593 1 693 . 1 1 167 167 PHE HB3 H 1 2.83 0.01 . 2 . . . . 167 PHE HB3 . 16593 1 694 . 1 1 167 167 PHE HD1 H 1 7.01 0.01 . 3 . . . . 167 PHE HD1 . 16593 1 695 . 1 1 167 167 PHE HD2 H 1 7.01 0.01 . 3 . . . . 167 PHE HD2 . 16593 1 696 . 1 1 167 167 PHE HE1 H 1 6.93 0.01 . 3 . . . . 167 PHE HE1 . 16593 1 697 . 1 1 167 167 PHE HE2 H 1 6.93 0.01 . 3 . . . . 167 PHE HE2 . 16593 1 698 . 1 1 168 168 GLY H H 1 7.54 0.01 . 1 . . . . 168 GLY HN . 16593 1 699 . 1 1 168 168 GLY HA2 H 1 3.94 0.01 . 2 . . . . 168 GLY HA1 . 16593 1 700 . 1 1 168 168 GLY HA3 H 1 3.94 0.01 . 2 . . . . 168 GLY HA2 . 16593 1 701 . 1 1 168 168 GLY N N 15 107.4 0.1 . 1 . . . . 168 GLY N . 16593 1 702 . 1 1 169 169 LEU H H 1 8.00 0.01 . 1 . . . . 169 LEU HN . 16593 1 703 . 1 1 169 169 LEU HA H 1 4.18 0.01 . 1 . . . . 169 LEU HA . 16593 1 704 . 1 1 169 169 LEU HB2 H 1 1.75 0.01 . 2 . . . . 169 LEU HB2 . 16593 1 705 . 1 1 169 169 LEU HB3 H 1 1.59 0.01 . 2 . . . . 169 LEU HB3 . 16593 1 706 . 1 1 169 169 LEU HD11 H 1 0.85 0.01 . 2 . . . . 169 LEU HD1 . 16593 1 707 . 1 1 169 169 LEU HD12 H 1 0.85 0.01 . 2 . . . . 169 LEU HD1 . 16593 1 708 . 1 1 169 169 LEU HD13 H 1 0.85 0.01 . 2 . . . . 169 LEU HD1 . 16593 1 709 . 1 1 169 169 LEU HD21 H 1 0.70 0.01 . 2 . . . . 169 LEU HD2 . 16593 1 710 . 1 1 169 169 LEU HD22 H 1 0.70 0.01 . 2 . . . . 169 LEU HD2 . 16593 1 711 . 1 1 169 169 LEU HD23 H 1 0.70 0.01 . 2 . . . . 169 LEU HD2 . 16593 1 712 . 1 1 169 169 LEU HG H 1 1.53 0.01 . 1 . . . . 169 LEU HG . 16593 1 713 . 1 1 169 169 LEU N N 15 125.8 0.1 . 1 . . . . 169 LEU N . 16593 1 stop_ save_