data_5011 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5011 _Entry.Title ; Anabaena apoflavodoxin hydrogen exchange: on the stable exchange core of the alfa/beta(21345) flavodoxin-like family ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-05-11 _Entry.Accession_date 2001-05-11 _Entry.Last_release_date 2001-06-14 _Entry.Original_release_date 2001-06-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Grant Langdon . M. . 5011 2 'M. Angeles' Jimenez . . . 5011 3 Carlos Genzor . G. . 5011 4 Susana Maldonado . . . 5011 5 Javier Sancho . . . 5011 6 Manuel Rico . . . 5011 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5011 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 861 5011 '13C chemical shifts' 23 5011 '15N chemical shifts' 156 5011 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 . . 2001-06-14 2001-05-11 original author . 5011 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5011 _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 ; Anabaena apoflavodoxin hydrogen exchange: on the stable exchange core of the alfa/beta(21345) flavodoxin-like family ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proteins: Struct. Funct. Genet.' _Citation.Journal_name_full . _Citation.Journal_volume 43 _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 476 _Citation.Page_last 488 _Citation.Year 2001 _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 Grant Langdon . M. . 5011 1 2 'M. Angeles' Jimenez . . . 5011 1 3 Carlos Genzor . G. . 5011 1 4 Susana Maldonado . . . 5011 1 5 Javier Sancho . . . 5011 1 6 Manuel Rico . . . 5011 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_apofld _Assembly.Sf_category assembly _Assembly.Sf_framecode system_apofld _Assembly.Entry_ID 5011 _Assembly.ID 1 _Assembly.Name 'Anabaena PCC 7119 apoflavodoxin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5011 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 'apofld monomer' 1 $apofld . . . native . . . . . 5011 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1FTG . . . . . 'X-ray structure' 5011 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Anabaena PCC 7119 apoflavodoxin' system 5011 1 apofld abbreviation 5011 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'electron transfer' 5011 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_apofld _Entity.Sf_category entity _Entity.Sf_framecode apofld _Entity.Entry_ID 5011 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Anabaena apoflavodoxin' _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 . _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 169 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18886 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1.07e-115 . . . . 5011 1 2 no BMRB 16593 . F98N-fdx . . . . . 100.00 169 100.00 100.00 3.24e-116 . . . . 5011 1 3 no PDB 1DX9 . "W57a Apoflavodoxin From Anabaena" . . . . . 100.00 169 98.82 99.41 1.81e-114 . . . . 5011 1 4 no PDB 1FLV . "Structure Of The Oxidized Long Chain Flavodoxin From Anabaena 7120 At 2 Angstroms Resolution" . . . . . 100.00 169 99.41 100.00 1.07e-115 . . . . 5011 1 5 no PDB 1FTG . "Structure Of Apoflavodoxin: Closure Of A TyrosineTRYPTOPHAN AROMATIC Gate Leads To A Compact Fold" . . . . . 99.41 168 100.00 100.00 1.68e-115 . . . . 5011 1 6 no PDB 1OBO . "W57l Flavodoxin From Anabaena" . . . . . 100.00 169 99.41 99.41 4.92e-115 . . . . 5011 1 7 no PDB 1OBV . "Y94f Flavodoxin From Anabaena" . . . . . 100.00 169 99.41 100.00 8.75e-116 . . . . 5011 1 8 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 1.68e-115 . . . . 5011 1 9 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 1.07e-115 . . . . 5011 1 10 no PDB 2KQU . "F98n Apoflavodoxin From Anabaena Pcc 7119" . . . . . 100.00 169 99.41 99.41 5.80e-115 . . . . 5011 1 11 no PDB 2V5U . "I92a Flavodoxin From Anabaena" . . . . . 100.00 169 99.41 99.41 1.74e-115 . . . . 5011 1 12 no PDB 2V5V . "W57e Flavodoxin From Anabaena" . . . . . 100.00 169 99.41 99.41 9.69e-115 . . . . 5011 1 13 no PDB 3ESX . "E16ke61kd126kd150k Flavodoxin From Anabaena" . . . . . 100.00 169 97.04 98.82 4.96e-113 . . . . 5011 1 14 no PDB 3ESY . "E16ke61k Flavodoxin From Anabaena" . . . . . 100.00 169 98.22 100.00 1.25e-114 . . . . 5011 1 15 no PDB 3ESZ . "K2ak3a Flavodoxin From Anabaena" . . . . . 100.00 169 98.22 98.82 3.72e-114 . . . . 5011 1 16 no DBJ BAB74104 . "flavodoxin [Nostoc sp. PCC 7120]" . . . . . 100.00 170 99.41 100.00 4.55e-116 . . . . 5011 1 17 no EMBL CAA32720 . "flavodoxin ORF [Nostoc sp. PCC 7120]" . . . . . 100.00 170 99.41 100.00 4.55e-116 . . . . 5011 1 18 no GB AAB20462 . "flavodoxin [Anabaena]" . . . . . 100.00 170 99.41 100.00 4.55e-116 . . . . 5011 1 19 no PIR S04600 . "flavodoxin - Anabaena variabilis" . . . . . 100.00 170 99.41 100.00 4.55e-116 . . . . 5011 1 20 no PIR S18374 . "flavodoxin - Anabaena sp. (PCC 7119) (fragment)" . . . . . 99.41 168 100.00 100.00 1.68e-115 . . . . 5011 1 21 no REF NP_486445 . "flavodoxin FldA [Nostoc sp. PCC 7120]" . . . . . 100.00 170 99.41 100.00 4.55e-116 . . . . 5011 1 22 no REF WP_010996561 . "flavodoxin [Nostoc sp. PCC 7120]" . . . . . 100.00 170 99.41 100.00 4.55e-116 . . . . 5011 1 23 no SP P0A3D9 . "RecName: Full=Flavodoxin [Nostoc sp. PCC 7120]" . . . . . 100.00 170 99.41 100.00 4.55e-116 . . . . 5011 1 24 no SP P0A3E0 . "RecName: Full=Flavodoxin [Nostoc sp. PCC 7119]" . . . . . 100.00 170 99.41 100.00 4.55e-116 . . . . 5011 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Anabaena apoflavodoxin' common 5011 1 apofld abbreviation 5011 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 . 5011 1 2 . LYS . 5011 1 3 . LYS . 5011 1 4 . ILE . 5011 1 5 . GLY . 5011 1 6 . LEU . 5011 1 7 . PHE . 5011 1 8 . TYR . 5011 1 9 . GLY . 5011 1 10 . THR . 5011 1 11 . GLN . 5011 1 12 . THR . 5011 1 13 . GLY . 5011 1 14 . LYS . 5011 1 15 . THR . 5011 1 16 . GLU . 5011 1 17 . SER . 5011 1 18 . VAL . 5011 1 19 . ALA . 5011 1 20 . GLU . 5011 1 21 . ILE . 5011 1 22 . ILE . 5011 1 23 . ARG . 5011 1 24 . ASP . 5011 1 25 . GLU . 5011 1 26 . PHE . 5011 1 27 . GLY . 5011 1 28 . ASN . 5011 1 29 . ASP . 5011 1 30 . VAL . 5011 1 31 . VAL . 5011 1 32 . THR . 5011 1 33 . LEU . 5011 1 34 . HIS . 5011 1 35 . ASP . 5011 1 36 . VAL . 5011 1 37 . SER . 5011 1 38 . GLN . 5011 1 39 . ALA . 5011 1 40 . GLU . 5011 1 41 . VAL . 5011 1 42 . THR . 5011 1 43 . ASP . 5011 1 44 . LEU . 5011 1 45 . ASN . 5011 1 46 . ASP . 5011 1 47 . TYR . 5011 1 48 . GLN . 5011 1 49 . TYR . 5011 1 50 . LEU . 5011 1 51 . ILE . 5011 1 52 . ILE . 5011 1 53 . GLY . 5011 1 54 . CYS . 5011 1 55 . PRO . 5011 1 56 . THR . 5011 1 57 . TRP . 5011 1 58 . ASN . 5011 1 59 . ILE . 5011 1 60 . GLY . 5011 1 61 . GLU . 5011 1 62 . LEU . 5011 1 63 . GLN . 5011 1 64 . SER . 5011 1 65 . ASP . 5011 1 66 . TRP . 5011 1 67 . GLU . 5011 1 68 . GLY . 5011 1 69 . LEU . 5011 1 70 . TYR . 5011 1 71 . SER . 5011 1 72 . GLU . 5011 1 73 . LEU . 5011 1 74 . ASP . 5011 1 75 . ASP . 5011 1 76 . VAL . 5011 1 77 . ASP . 5011 1 78 . PHE . 5011 1 79 . ASN . 5011 1 80 . GLY . 5011 1 81 . LYS . 5011 1 82 . LEU . 5011 1 83 . VAL . 5011 1 84 . ALA . 5011 1 85 . TYR . 5011 1 86 . PHE . 5011 1 87 . GLY . 5011 1 88 . THR . 5011 1 89 . GLY . 5011 1 90 . ASP . 5011 1 91 . GLN . 5011 1 92 . ILE . 5011 1 93 . GLY . 5011 1 94 . TYR . 5011 1 95 . ALA . 5011 1 96 . ASP . 5011 1 97 . ASN . 5011 1 98 . PHE . 5011 1 99 . GLN . 5011 1 100 . ASP . 5011 1 101 . ALA . 5011 1 102 . ILE . 5011 1 103 . GLY . 5011 1 104 . ILE . 5011 1 105 . LEU . 5011 1 106 . GLU . 5011 1 107 . GLU . 5011 1 108 . LYS . 5011 1 109 . ILE . 5011 1 110 . SER . 5011 1 111 . GLN . 5011 1 112 . ARG . 5011 1 113 . GLY . 5011 1 114 . GLY . 5011 1 115 . LYS . 5011 1 116 . THR . 5011 1 117 . VAL . 5011 1 118 . GLY . 5011 1 119 . TYR . 5011 1 120 . TRP . 5011 1 121 . SER . 5011 1 122 . THR . 5011 1 123 . ASP . 5011 1 124 . GLY . 5011 1 125 . TYR . 5011 1 126 . ASP . 5011 1 127 . PHE . 5011 1 128 . ASN . 5011 1 129 . ASP . 5011 1 130 . SER . 5011 1 131 . LYS . 5011 1 132 . ALA . 5011 1 133 . LEU . 5011 1 134 . ARG . 5011 1 135 . ASN . 5011 1 136 . GLY . 5011 1 137 . LYS . 5011 1 138 . PHE . 5011 1 139 . VAL . 5011 1 140 . GLY . 5011 1 141 . LEU . 5011 1 142 . ALA . 5011 1 143 . LEU . 5011 1 144 . ASP . 5011 1 145 . GLU . 5011 1 146 . ASP . 5011 1 147 . ASN . 5011 1 148 . GLN . 5011 1 149 . SER . 5011 1 150 . ASP . 5011 1 151 . LEU . 5011 1 152 . THR . 5011 1 153 . ASP . 5011 1 154 . ASP . 5011 1 155 . ARG . 5011 1 156 . ILE . 5011 1 157 . LYS . 5011 1 158 . SER . 5011 1 159 . TRP . 5011 1 160 . VAL . 5011 1 161 . ALA . 5011 1 162 . GLN . 5011 1 163 . LEU . 5011 1 164 . LYS . 5011 1 165 . SER . 5011 1 166 . GLU . 5011 1 167 . PHE . 5011 1 168 . GLY . 5011 1 169 . LEU . 5011 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 5011 1 . LYS 2 2 5011 1 . LYS 3 3 5011 1 . ILE 4 4 5011 1 . GLY 5 5 5011 1 . LEU 6 6 5011 1 . PHE 7 7 5011 1 . TYR 8 8 5011 1 . GLY 9 9 5011 1 . THR 10 10 5011 1 . GLN 11 11 5011 1 . THR 12 12 5011 1 . GLY 13 13 5011 1 . LYS 14 14 5011 1 . THR 15 15 5011 1 . GLU 16 16 5011 1 . SER 17 17 5011 1 . VAL 18 18 5011 1 . ALA 19 19 5011 1 . GLU 20 20 5011 1 . ILE 21 21 5011 1 . ILE 22 22 5011 1 . ARG 23 23 5011 1 . ASP 24 24 5011 1 . GLU 25 25 5011 1 . PHE 26 26 5011 1 . GLY 27 27 5011 1 . ASN 28 28 5011 1 . ASP 29 29 5011 1 . VAL 30 30 5011 1 . VAL 31 31 5011 1 . THR 32 32 5011 1 . LEU 33 33 5011 1 . HIS 34 34 5011 1 . ASP 35 35 5011 1 . VAL 36 36 5011 1 . SER 37 37 5011 1 . GLN 38 38 5011 1 . ALA 39 39 5011 1 . GLU 40 40 5011 1 . VAL 41 41 5011 1 . THR 42 42 5011 1 . ASP 43 43 5011 1 . LEU 44 44 5011 1 . ASN 45 45 5011 1 . ASP 46 46 5011 1 . TYR 47 47 5011 1 . GLN 48 48 5011 1 . TYR 49 49 5011 1 . LEU 50 50 5011 1 . ILE 51 51 5011 1 . ILE 52 52 5011 1 . GLY 53 53 5011 1 . CYS 54 54 5011 1 . PRO 55 55 5011 1 . THR 56 56 5011 1 . TRP 57 57 5011 1 . ASN 58 58 5011 1 . ILE 59 59 5011 1 . GLY 60 60 5011 1 . GLU 61 61 5011 1 . LEU 62 62 5011 1 . GLN 63 63 5011 1 . SER 64 64 5011 1 . ASP 65 65 5011 1 . TRP 66 66 5011 1 . GLU 67 67 5011 1 . GLY 68 68 5011 1 . LEU 69 69 5011 1 . TYR 70 70 5011 1 . SER 71 71 5011 1 . GLU 72 72 5011 1 . LEU 73 73 5011 1 . ASP 74 74 5011 1 . ASP 75 75 5011 1 . VAL 76 76 5011 1 . ASP 77 77 5011 1 . PHE 78 78 5011 1 . ASN 79 79 5011 1 . GLY 80 80 5011 1 . LYS 81 81 5011 1 . LEU 82 82 5011 1 . VAL 83 83 5011 1 . ALA 84 84 5011 1 . TYR 85 85 5011 1 . PHE 86 86 5011 1 . GLY 87 87 5011 1 . THR 88 88 5011 1 . GLY 89 89 5011 1 . ASP 90 90 5011 1 . GLN 91 91 5011 1 . ILE 92 92 5011 1 . GLY 93 93 5011 1 . TYR 94 94 5011 1 . ALA 95 95 5011 1 . ASP 96 96 5011 1 . ASN 97 97 5011 1 . PHE 98 98 5011 1 . GLN 99 99 5011 1 . ASP 100 100 5011 1 . ALA 101 101 5011 1 . ILE 102 102 5011 1 . GLY 103 103 5011 1 . ILE 104 104 5011 1 . LEU 105 105 5011 1 . GLU 106 106 5011 1 . GLU 107 107 5011 1 . LYS 108 108 5011 1 . ILE 109 109 5011 1 . SER 110 110 5011 1 . GLN 111 111 5011 1 . ARG 112 112 5011 1 . GLY 113 113 5011 1 . GLY 114 114 5011 1 . LYS 115 115 5011 1 . THR 116 116 5011 1 . VAL 117 117 5011 1 . GLY 118 118 5011 1 . TYR 119 119 5011 1 . TRP 120 120 5011 1 . SER 121 121 5011 1 . THR 122 122 5011 1 . ASP 123 123 5011 1 . GLY 124 124 5011 1 . TYR 125 125 5011 1 . ASP 126 126 5011 1 . PHE 127 127 5011 1 . ASN 128 128 5011 1 . ASP 129 129 5011 1 . SER 130 130 5011 1 . LYS 131 131 5011 1 . ALA 132 132 5011 1 . LEU 133 133 5011 1 . ARG 134 134 5011 1 . ASN 135 135 5011 1 . GLY 136 136 5011 1 . LYS 137 137 5011 1 . PHE 138 138 5011 1 . VAL 139 139 5011 1 . GLY 140 140 5011 1 . LEU 141 141 5011 1 . ALA 142 142 5011 1 . LEU 143 143 5011 1 . ASP 144 144 5011 1 . GLU 145 145 5011 1 . ASP 146 146 5011 1 . ASN 147 147 5011 1 . GLN 148 148 5011 1 . SER 149 149 5011 1 . ASP 150 150 5011 1 . LEU 151 151 5011 1 . THR 152 152 5011 1 . ASP 153 153 5011 1 . ASP 154 154 5011 1 . ARG 155 155 5011 1 . ILE 156 156 5011 1 . LYS 157 157 5011 1 . SER 158 158 5011 1 . TRP 159 159 5011 1 . VAL 160 160 5011 1 . ALA 161 161 5011 1 . GLN 162 162 5011 1 . LEU 163 163 5011 1 . LYS 164 164 5011 1 . SER 165 165 5011 1 . GLU 166 166 5011 1 . PHE 167 167 5011 1 . GLY 168 168 5011 1 . LEU 169 169 5011 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 5011 _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 $apofld . 1168 . . 'Anabaena PCC7119' 'Anabaena PCC7119' . . Eubacteria . Anabaena PCC7119 . . . . . . . . . . . . . . . . . . . . . 5011 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 5011 _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 $apofld . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli TG1 . . . . . . . . . . . . plasmid . . ptrc99a . . . . . . 5011 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5011 _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 'Anabaena apoflavodoxin' . . . 1 $apofld . . 2.0 . . mM . . . . 5011 1 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 5011 1 3 dithiothreitol . . . . . . . 2 . . mM . . . . 5011 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5011 _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 'Anabaena apoflavodoxin' [U-15N] . . 1 $apofld . . 2.0 . . mM . . . . 5011 2 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 5011 2 3 dithiothreitol . . . . . . . 2 . . mM . . . . 5011 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5011 _Sample.ID 3 _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 'Anabaena apoflavodoxin' . . . 1 $apofld . . 2.0 . . mM . . . . 5011 3 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 5011 _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 7.0 0.1 n/a 5011 1 temperature 298 0.1 K 5011 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5011 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 5011 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 5011 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5011 _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_spectrometer1 Bruker AMX . 600 . . . 5011 1 2 NMR_spectrometer2 Varian INOVA . 750 . . . 5011 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 5011 _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-1H COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5011 1 2 '2D 1H-1H CLEAN-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5011 1 3 '2D 1H-1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5011 1 4 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5011 1 5 '3D 1H-1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5011 1 6 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5011 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5011 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-1H COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5011 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-1H CLEAN-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5011 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-1H NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5011 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5011 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 1H-1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5011 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 1H-1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 5011 _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 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct . internal . . . . . . . . 5011 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5011 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5011 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5011 _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 '2D 1H-1H COSY' . . . 5011 1 2 '2D 1H-1H CLEAN-TOCSY' . . . 5011 1 3 '2D 1H-1H NOESY' . . . 5011 1 4 '2D 1H-15N HSQC' . . . 5011 1 5 '3D 1H-1H-15N TOCSY' . . . 5011 1 6 '3D 1H-1H-15N NOESY' . . . 5011 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 2 2 LYS HA H 1 4.41 . . 1 . . . . . . . . 5011 1 2 . 1 1 3 3 LYS N N 15 119.8 . . 1 . . . . . . . . 5011 1 3 . 1 1 3 3 LYS H H 1 8.00 . . 1 . . . . . . . . 5011 1 4 . 1 1 3 3 LYS HA H 1 4.80 . . 1 . . . . . . . . 5011 1 5 . 1 1 3 3 LYS HB2 H 1 1.92 . . 1 . . . . . . . . 5011 1 6 . 1 1 3 3 LYS HB3 H 1 1.92 . . 1 . . . . . . . . 5011 1 7 . 1 1 3 3 LYS HG3 H 1 1.56 . . 2 . . . . . . . . 5011 1 8 . 1 1 4 4 ILE N N 15 120.7 . . 1 . . . . . . . . 5011 1 9 . 1 1 4 4 ILE H H 1 8.51 . . 1 . . . . . . . . 5011 1 10 . 1 1 4 4 ILE HA H 1 4.57 . . 1 . . . . . . . . 5011 1 11 . 1 1 4 4 ILE HB H 1 1.21 . . 1 . . . . . . . . 5011 1 12 . 1 1 4 4 ILE HG21 H 1 0.29 . . 1 . . . . . . . . 5011 1 13 . 1 1 4 4 ILE HG22 H 1 0.29 . . 1 . . . . . . . . 5011 1 14 . 1 1 4 4 ILE HG23 H 1 0.29 . . 1 . . . . . . . . 5011 1 15 . 1 1 4 4 ILE HG12 H 1 1.02 . . 2 . . . . . . . . 5011 1 16 . 1 1 4 4 ILE HG13 H 1 0.18 . . 2 . . . . . . . . 5011 1 17 . 1 1 4 4 ILE HD11 H 1 -0.19 . . 1 . . . . . . . . 5011 1 18 . 1 1 4 4 ILE HD12 H 1 -0.19 . . 1 . . . . . . . . 5011 1 19 . 1 1 4 4 ILE HD13 H 1 -0.19 . . 1 . . . . . . . . 5011 1 20 . 1 1 5 5 GLY N N 15 117.6 . . 1 . . . . . . . . 5011 1 21 . 1 1 5 5 GLY H H 1 8.11 . . 1 . . . . . . . . 5011 1 22 . 1 1 5 5 GLY HA2 H 1 3.98 . . 2 . . . . . . . . 5011 1 23 . 1 1 5 5 GLY HA3 H 1 1.84 . . 2 . . . . . . . . 5011 1 24 . 1 1 6 6 LEU N N 15 130.8 . . 1 . . . . . . . . 5011 1 25 . 1 1 6 6 LEU H H 1 8.80 . . 1 . . . . . . . . 5011 1 26 . 1 1 6 6 LEU HA H 1 5.83 . . 1 . . . . . . . . 5011 1 27 . 1 1 6 6 LEU HB2 H 1 1.88 . . 1 . . . . . . . . 5011 1 28 . 1 1 6 6 LEU HB3 H 1 1.88 . . 1 . . . . . . . . 5011 1 29 . 1 1 6 6 LEU HD11 H 1 1.12 . . 2 . . . . . . . . 5011 1 30 . 1 1 6 6 LEU HD12 H 1 1.12 . . 2 . . . . . . . . 5011 1 31 . 1 1 6 6 LEU HD13 H 1 1.12 . . 2 . . . . . . . . 5011 1 32 . 1 1 6 6 LEU HD21 H 1 0.89 . . 2 . . . . . . . . 5011 1 33 . 1 1 6 6 LEU HD22 H 1 0.89 . . 2 . . . . . . . . 5011 1 34 . 1 1 6 6 LEU HD23 H 1 0.89 . . 2 . . . . . . . . 5011 1 35 . 1 1 7 7 PHE N N 15 128.4 . . 1 . . . . . . . . 5011 1 36 . 1 1 7 7 PHE H H 1 9.49 . . 1 . . . . . . . . 5011 1 37 . 1 1 7 7 PHE HA H 1 5.52 . . 1 . . . . . . . . 5011 1 38 . 1 1 7 7 PHE HB2 H 1 3.14 . . 2 . . . . . . . . 5011 1 39 . 1 1 7 7 PHE HB3 H 1 2.69 . . 2 . . . . . . . . 5011 1 40 . 1 1 7 7 PHE CD1 C 13 130.9 . . 1 . . . . . . . . 5011 1 41 . 1 1 7 7 PHE HD1 H 1 6.85 . . 1 . . . . . . . . 5011 1 42 . 1 1 7 7 PHE CD2 C 13 130.9 . . 1 . . . . . . . . 5011 1 43 . 1 1 7 7 PHE HD2 H 1 6.85 . . 1 . . . . . . . . 5011 1 44 . 1 1 8 8 TYR N N 15 121.0 . . 1 . . . . . . . . 5011 1 45 . 1 1 8 8 TYR H H 1 8.78 . . 1 . . . . . . . . 5011 1 46 . 1 1 8 8 TYR HA H 1 6.69 . . 1 . . . . . . . . 5011 1 47 . 1 1 17 17 SER HA H 1 4.22 . . 1 . . . . . . . . 5011 1 48 . 1 1 17 17 SER HB2 H 1 3.98 . . 1 . . . . . . . . 5011 1 49 . 1 1 17 17 SER HB3 H 1 3.98 . . 1 . . . . . . . . 5011 1 50 . 1 1 18 18 VAL N N 15 121.1 . . 1 . . . . . . . . 5011 1 51 . 1 1 18 18 VAL H H 1 7.92 . . 1 . . . . . . . . 5011 1 52 . 1 1 18 18 VAL HA H 1 3.42 . . 1 . . . . . . . . 5011 1 53 . 1 1 18 18 VAL HB H 1 2.03 . . 1 . . . . . . . . 5011 1 54 . 1 1 18 18 VAL HG11 H 1 0.87 . . 2 . . . . . . . . 5011 1 55 . 1 1 18 18 VAL HG12 H 1 0.87 . . 2 . . . . . . . . 5011 1 56 . 1 1 18 18 VAL HG13 H 1 0.87 . . 2 . . . . . . . . 5011 1 57 . 1 1 18 18 VAL HG21 H 1 0.38 . . 2 . . . . . . . . 5011 1 58 . 1 1 18 18 VAL HG22 H 1 0.38 . . 2 . . . . . . . . 5011 1 59 . 1 1 18 18 VAL HG23 H 1 0.38 . . 2 . . . . . . . . 5011 1 60 . 1 1 19 19 ALA N N 15 122.1 . . 1 . . . . . . . . 5011 1 61 . 1 1 19 19 ALA H H 1 8.16 . . 1 . . . . . . . . 5011 1 62 . 1 1 19 19 ALA HA H 1 3.62 . . 1 . . . . . . . . 5011 1 63 . 1 1 19 19 ALA HB1 H 1 1.07 . . 1 . . . . . . . . 5011 1 64 . 1 1 19 19 ALA HB2 H 1 1.07 . . 1 . . . . . . . . 5011 1 65 . 1 1 19 19 ALA HB3 H 1 1.07 . . 1 . . . . . . . . 5011 1 66 . 1 1 20 20 GLU N N 15 116.3 . . 1 . . . . . . . . 5011 1 67 . 1 1 20 20 GLU H H 1 7.71 . . 1 . . . . . . . . 5011 1 68 . 1 1 20 20 GLU HA H 1 3.65 . . 1 . . . . . . . . 5011 1 69 . 1 1 20 20 GLU HB2 H 1 2.18 . . 2 . . . . . . . . 5011 1 70 . 1 1 20 20 GLU HB3 H 1 1.97 . . 2 . . . . . . . . 5011 1 71 . 1 1 20 20 GLU HG2 H 1 2.43 . . 2 . . . . . . . . 5011 1 72 . 1 1 20 20 GLU HG3 H 1 2.38 . . 2 . . . . . . . . 5011 1 73 . 1 1 21 21 ILE N N 15 120.7 . . 1 . . . . . . . . 5011 1 74 . 1 1 21 21 ILE H H 1 7.50 . . 1 . . . . . . . . 5011 1 75 . 1 1 21 21 ILE HA H 1 3.77 . . 1 . . . . . . . . 5011 1 76 . 1 1 21 21 ILE HB H 1 1.90 . . 1 . . . . . . . . 5011 1 77 . 1 1 21 21 ILE HG21 H 1 0.93 . . 1 . . . . . . . . 5011 1 78 . 1 1 21 21 ILE HG22 H 1 0.93 . . 1 . . . . . . . . 5011 1 79 . 1 1 21 21 ILE HG23 H 1 0.93 . . 1 . . . . . . . . 5011 1 80 . 1 1 21 21 ILE HG12 H 1 1.82 . . 2 . . . . . . . . 5011 1 81 . 1 1 21 21 ILE HG13 H 1 1.04 . . 2 . . . . . . . . 5011 1 82 . 1 1 21 21 ILE HD11 H 1 0.76 . . 1 . . . . . . . . 5011 1 83 . 1 1 21 21 ILE HD12 H 1 0.76 . . 1 . . . . . . . . 5011 1 84 . 1 1 21 21 ILE HD13 H 1 0.76 . . 1 . . . . . . . . 5011 1 85 . 1 1 22 22 ILE N N 15 120.3 . . 1 . . . . . . . . 5011 1 86 . 1 1 22 22 ILE H H 1 8.30 . . 1 . . . . . . . . 5011 1 87 . 1 1 22 22 ILE HA H 1 3.25 . . 1 . . . . . . . . 5011 1 88 . 1 1 22 22 ILE HB H 1 1.73 . . 1 . . . . . . . . 5011 1 89 . 1 1 22 22 ILE HG21 H 1 0.90 . . 1 . . . . . . . . 5011 1 90 . 1 1 22 22 ILE HG22 H 1 0.90 . . 1 . . . . . . . . 5011 1 91 . 1 1 22 22 ILE HG23 H 1 0.90 . . 1 . . . . . . . . 5011 1 92 . 1 1 22 22 ILE HG12 H 1 0.90 . . 2 . . . . . . . . 5011 1 93 . 1 1 22 22 ILE HG13 H 1 0.54 . . 2 . . . . . . . . 5011 1 94 . 1 1 22 22 ILE HD11 H 1 -0.01 . . 1 . . . . . . . . 5011 1 95 . 1 1 22 22 ILE HD12 H 1 -0.01 . . 1 . . . . . . . . 5011 1 96 . 1 1 22 22 ILE HD13 H 1 -0.01 . . 1 . . . . . . . . 5011 1 97 . 1 1 23 23 ARG N N 15 119.2 . . 1 . . . . . . . . 5011 1 98 . 1 1 23 23 ARG H H 1 8.31 . . 1 . . . . . . . . 5011 1 99 . 1 1 23 23 ARG HA H 1 3.71 . . 1 . . . . . . . . 5011 1 100 . 1 1 23 23 ARG HB2 H 1 2.37 . . 2 . . . . . . . . 5011 1 101 . 1 1 24 24 ASP N N 15 120.3 . . 1 . . . . . . . . 5011 1 102 . 1 1 24 24 ASP H H 1 8.25 . . 1 . . . . . . . . 5011 1 103 . 1 1 24 24 ASP HA H 1 4.43 . . 1 . . . . . . . . 5011 1 104 . 1 1 24 24 ASP HB2 H 1 2.86 . . 2 . . . . . . . . 5011 1 105 . 1 1 24 24 ASP HB3 H 1 2.71 . . 2 . . . . . . . . 5011 1 106 . 1 1 25 25 GLU N N 15 121.0 . . 1 . . . . . . . . 5011 1 107 . 1 1 25 25 GLU H H 1 8.51 . . 1 . . . . . . . . 5011 1 108 . 1 1 25 25 GLU HA H 1 4.01 . . 1 . . . . . . . . 5011 1 109 . 1 1 25 25 GLU HB2 H 1 2.01 . . 2 . . . . . . . . 5011 1 110 . 1 1 25 25 GLU HB3 H 1 1.91 . . 2 . . . . . . . . 5011 1 111 . 1 1 25 25 GLU HG2 H 1 2.24 . . 1 . . . . . . . . 5011 1 112 . 1 1 25 25 GLU HG3 H 1 2.24 . . 1 . . . . . . . . 5011 1 113 . 1 1 26 26 PHE N N 15 117.4 . . 1 . . . . . . . . 5011 1 114 . 1 1 26 26 PHE H H 1 8.01 . . 1 . . . . . . . . 5011 1 115 . 1 1 26 26 PHE HA H 1 4.00 . . 1 . . . . . . . . 5011 1 116 . 1 1 26 26 PHE HB2 H 1 2.98 . . 1 . . . . . . . . 5011 1 117 . 1 1 26 26 PHE HB3 H 1 2.98 . . 1 . . . . . . . . 5011 1 118 . 1 1 26 26 PHE CD1 C 13 132.2 . . 1 . . . . . . . . 5011 1 119 . 1 1 26 26 PHE HD1 H 1 7.20 . . 1 . . . . . . . . 5011 1 120 . 1 1 26 26 PHE CD2 C 13 132.2 . . 1 . . . . . . . . 5011 1 121 . 1 1 26 26 PHE HD2 H 1 7.20 . . 1 . . . . . . . . 5011 1 122 . 1 1 26 26 PHE HE1 H 1 6.79 . . 1 . . . . . . . . 5011 1 123 . 1 1 26 26 PHE HE2 H 1 6.79 . . 1 . . . . . . . . 5011 1 124 . 1 1 27 27 GLY N N 15 105.8 . . 1 . . . . . . . . 5011 1 125 . 1 1 27 27 GLY H H 1 7.97 . . 1 . . . . . . . . 5011 1 126 . 1 1 27 27 GLY HA2 H 1 4.37 . . 2 . . . . . . . . 5011 1 127 . 1 1 27 27 GLY HA3 H 1 3.84 . . 2 . . . . . . . . 5011 1 128 . 1 1 28 28 ASN N N 15 118.7 . . 1 . . . . . . . . 5011 1 129 . 1 1 28 28 ASN H H 1 8.91 . . 1 . . . . . . . . 5011 1 130 . 1 1 28 28 ASN HA H 1 4.36 . . 1 . . . . . . . . 5011 1 131 . 1 1 28 28 ASN HB2 H 1 2.86 . . 1 . . . . . . . . 5011 1 132 . 1 1 28 28 ASN HB3 H 1 2.86 . . 1 . . . . . . . . 5011 1 133 . 1 1 28 28 ASN ND2 N 15 113.5 . . 1 . . . . . . . . 5011 1 134 . 1 1 28 28 ASN HD21 H 1 7.68 . . 2 . . . . . . . . 5011 1 135 . 1 1 28 28 ASN HD22 H 1 6.98 . . 2 . . . . . . . . 5011 1 136 . 1 1 29 29 ASP N N 15 116.0 . . 1 . . . . . . . . 5011 1 137 . 1 1 29 29 ASP H H 1 8.87 . . 1 . . . . . . . . 5011 1 138 . 1 1 29 29 ASP HA H 1 4.51 . . 1 . . . . . . . . 5011 1 139 . 1 1 29 29 ASP HB2 H 1 2.86 . . 2 . . . . . . . . 5011 1 140 . 1 1 29 29 ASP HB3 H 1 2.68 . . 2 . . . . . . . . 5011 1 141 . 1 1 30 30 VAL N N 15 118.2 . . 1 . . . . . . . . 5011 1 142 . 1 1 30 30 VAL H H 1 7.64 . . 1 . . . . . . . . 5011 1 143 . 1 1 30 30 VAL HA H 1 4.03 . . 1 . . . . . . . . 5011 1 144 . 1 1 30 30 VAL HB H 1 2.04 . . 1 . . . . . . . . 5011 1 145 . 1 1 30 30 VAL HG11 H 1 1.02 . . 2 . . . . . . . . 5011 1 146 . 1 1 30 30 VAL HG12 H 1 1.02 . . 2 . . . . . . . . 5011 1 147 . 1 1 30 30 VAL HG13 H 1 1.02 . . 2 . . . . . . . . 5011 1 148 . 1 1 30 30 VAL HG21 H 1 0.84 . . 2 . . . . . . . . 5011 1 149 . 1 1 30 30 VAL HG22 H 1 0.84 . . 2 . . . . . . . . 5011 1 150 . 1 1 30 30 VAL HG23 H 1 0.84 . . 2 . . . . . . . . 5011 1 151 . 1 1 31 31 VAL N N 15 119.4 . . 1 . . . . . . . . 5011 1 152 . 1 1 31 31 VAL H H 1 7.88 . . 1 . . . . . . . . 5011 1 153 . 1 1 31 31 VAL HA H 1 4.74 . . 1 . . . . . . . . 5011 1 154 . 1 1 31 31 VAL HB H 1 1.81 . . 1 . . . . . . . . 5011 1 155 . 1 1 31 31 VAL HG11 H 1 0.66 . . 2 . . . . . . . . 5011 1 156 . 1 1 31 31 VAL HG12 H 1 0.66 . . 2 . . . . . . . . 5011 1 157 . 1 1 31 31 VAL HG13 H 1 0.66 . . 2 . . . . . . . . 5011 1 158 . 1 1 31 31 VAL HG21 H 1 0.53 . . 2 . . . . . . . . 5011 1 159 . 1 1 31 31 VAL HG22 H 1 0.53 . . 2 . . . . . . . . 5011 1 160 . 1 1 31 31 VAL HG23 H 1 0.53 . . 2 . . . . . . . . 5011 1 161 . 1 1 32 32 THR N N 15 123.7 . . 1 . . . . . . . . 5011 1 162 . 1 1 32 32 THR H H 1 8.50 . . 1 . . . . . . . . 5011 1 163 . 1 1 32 32 THR HA H 1 4.38 . . 1 . . . . . . . . 5011 1 164 . 1 1 32 32 THR HB H 1 4.08 . . 1 . . . . . . . . 5011 1 165 . 1 1 32 32 THR HG21 H 1 0.93 . . 1 . . . . . . . . 5011 1 166 . 1 1 32 32 THR HG22 H 1 0.93 . . 1 . . . . . . . . 5011 1 167 . 1 1 32 32 THR HG23 H 1 0.93 . . 1 . . . . . . . . 5011 1 168 . 1 1 33 33 LEU N N 15 127.0 . . 1 . . . . . . . . 5011 1 169 . 1 1 33 33 LEU H H 1 8.63 . . 1 . . . . . . . . 5011 1 170 . 1 1 33 33 LEU HA H 1 4.73 . . 1 . . . . . . . . 5011 1 171 . 1 1 33 33 LEU HB2 H 1 1.84 . . 2 . . . . . . . . 5011 1 172 . 1 1 33 33 LEU HB3 H 1 1.63 . . 2 . . . . . . . . 5011 1 173 . 1 1 33 33 LEU HG H 1 1.61 . . 1 . . . . . . . . 5011 1 174 . 1 1 33 33 LEU HD11 H 1 0.87 . . 2 . . . . . . . . 5011 1 175 . 1 1 33 33 LEU HD12 H 1 0.87 . . 2 . . . . . . . . 5011 1 176 . 1 1 33 33 LEU HD13 H 1 0.87 . . 2 . . . . . . . . 5011 1 177 . 1 1 33 33 LEU HD21 H 1 0.81 . . 2 . . . . . . . . 5011 1 178 . 1 1 33 33 LEU HD22 H 1 0.81 . . 2 . . . . . . . . 5011 1 179 . 1 1 33 33 LEU HD23 H 1 0.81 . . 2 . . . . . . . . 5011 1 180 . 1 1 34 34 HIS N N 15 120.9 . . 1 . . . . . . . . 5011 1 181 . 1 1 34 34 HIS H H 1 9.21 . . 1 . . . . . . . . 5011 1 182 . 1 1 34 34 HIS HA H 1 4.26 . . 1 . . . . . . . . 5011 1 183 . 1 1 34 34 HIS HD2 H 1 7.82 . . 1 . . . . . . . . 5011 1 184 . 1 1 34 34 HIS CD2 C 13 136.6 . . 1 . . . . . . . . 5011 1 185 . 1 1 34 34 HIS HE1 H 1 5.81 . . 1 . . . . . . . . 5011 1 186 . 1 1 34 34 HIS CE1 C 13 125.3 . . 1 . . . . . . . . 5011 1 187 . 1 1 35 35 ASP N N 15 125.2 . . 1 . . . . . . . . 5011 1 188 . 1 1 35 35 ASP H H 1 8.24 . . 1 . . . . . . . . 5011 1 189 . 1 1 35 35 ASP HA H 1 3.61 . . 1 . . . . . . . . 5011 1 190 . 1 1 35 35 ASP HB2 H 1 2.57 . . 2 . . . . . . . . 5011 1 191 . 1 1 35 35 ASP HB3 H 1 2.42 . . 2 . . . . . . . . 5011 1 192 . 1 1 36 36 VAL N N 15 124.6 . . 1 . . . . . . . . 5011 1 193 . 1 1 36 36 VAL H H 1 8.27 . . 1 . . . . . . . . 5011 1 194 . 1 1 36 36 VAL HA H 1 4.26 . . 1 . . . . . . . . 5011 1 195 . 1 1 36 36 VAL HB H 1 2.12 . . 1 . . . . . . . . 5011 1 196 . 1 1 36 36 VAL HG11 H 1 0.73 . . 1 . . . . . . . . 5011 1 197 . 1 1 36 36 VAL HG12 H 1 0.73 . . 1 . . . . . . . . 5011 1 198 . 1 1 36 36 VAL HG13 H 1 0.73 . . 1 . . . . . . . . 5011 1 199 . 1 1 36 36 VAL HG21 H 1 0.73 . . 1 . . . . . . . . 5011 1 200 . 1 1 36 36 VAL HG22 H 1 0.73 . . 1 . . . . . . . . 5011 1 201 . 1 1 36 36 VAL HG23 H 1 0.73 . . 1 . . . . . . . . 5011 1 202 . 1 1 37 37 SER N N 15 117.6 . . 1 . . . . . . . . 5011 1 203 . 1 1 37 37 SER H H 1 8.86 . . 1 . . . . . . . . 5011 1 204 . 1 1 37 37 SER HA H 1 4.13 . . 1 . . . . . . . . 5011 1 205 . 1 1 37 37 SER HB2 H 1 3.93 . . 2 . . . . . . . . 5011 1 206 . 1 1 37 37 SER HB3 H 1 3.84 . . 2 . . . . . . . . 5011 1 207 . 1 1 38 38 GLN N N 15 119.2 . . 1 . . . . . . . . 5011 1 208 . 1 1 38 38 GLN H H 1 7.71 . . 1 . . . . . . . . 5011 1 209 . 1 1 38 38 GLN HA H 1 4.56 . . 1 . . . . . . . . 5011 1 210 . 1 1 38 38 GLN HB2 H 1 1.86 . . 1 . . . . . . . . 5011 1 211 . 1 1 38 38 GLN HB3 H 1 1.86 . . 1 . . . . . . . . 5011 1 212 . 1 1 38 38 GLN HG2 H 1 2.31 . . 1 . . . . . . . . 5011 1 213 . 1 1 38 38 GLN HG3 H 1 2.31 . . 1 . . . . . . . . 5011 1 214 . 1 1 38 38 GLN NE2 N 15 112.7 . . 1 . . . . . . . . 5011 1 215 . 1 1 38 38 GLN HE21 H 1 7.43 . . 2 . . . . . . . . 5011 1 216 . 1 1 38 38 GLN HE22 H 1 6.78 . . 2 . . . . . . . . 5011 1 217 . 1 1 39 39 ALA N N 15 121.8 . . 1 . . . . . . . . 5011 1 218 . 1 1 39 39 ALA H H 1 7.20 . . 1 . . . . . . . . 5011 1 219 . 1 1 39 39 ALA HA H 1 4.59 . . 1 . . . . . . . . 5011 1 220 . 1 1 39 39 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 5011 1 221 . 1 1 39 39 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 5011 1 222 . 1 1 39 39 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 5011 1 223 . 1 1 40 40 GLU N N 15 118.3 . . 1 . . . . . . . . 5011 1 224 . 1 1 40 40 GLU H H 1 8.26 . . 1 . . . . . . . . 5011 1 225 . 1 1 40 40 GLU HA H 1 4.59 . . 1 . . . . . . . . 5011 1 226 . 1 1 40 40 GLU HB2 H 1 2.06 . . 2 . . . . . . . . 5011 1 227 . 1 1 40 40 GLU HB3 H 1 1.74 . . 2 . . . . . . . . 5011 1 228 . 1 1 40 40 GLU HG2 H 1 2.25 . . 1 . . . . . . . . 5011 1 229 . 1 1 40 40 GLU HG3 H 1 2.25 . . 1 . . . . . . . . 5011 1 230 . 1 1 41 41 VAL N N 15 122.4 . . 1 . . . . . . . . 5011 1 231 . 1 1 41 41 VAL H H 1 9.35 . . 1 . . . . . . . . 5011 1 232 . 1 1 41 41 VAL HA H 1 3.63 . . 1 . . . . . . . . 5011 1 233 . 1 1 41 41 VAL HB H 1 2.08 . . 1 . . . . . . . . 5011 1 234 . 1 1 41 41 VAL HG11 H 1 0.94 . . 1 . . . . . . . . 5011 1 235 . 1 1 41 41 VAL HG12 H 1 0.94 . . 1 . . . . . . . . 5011 1 236 . 1 1 41 41 VAL HG13 H 1 0.94 . . 1 . . . . . . . . 5011 1 237 . 1 1 41 41 VAL HG21 H 1 0.94 . . 1 . . . . . . . . 5011 1 238 . 1 1 41 41 VAL HG22 H 1 0.94 . . 1 . . . . . . . . 5011 1 239 . 1 1 41 41 VAL HG23 H 1 0.94 . . 1 . . . . . . . . 5011 1 240 . 1 1 42 42 THR N N 15 106.8 . . 1 . . . . . . . . 5011 1 241 . 1 1 42 42 THR H H 1 7.10 . . 1 . . . . . . . . 5011 1 242 . 1 1 42 42 THR HA H 1 3.83 . . 1 . . . . . . . . 5011 1 243 . 1 1 42 42 THR HG21 H 1 1.20 . . 1 . . . . . . . . 5011 1 244 . 1 1 42 42 THR HG22 H 1 1.20 . . 1 . . . . . . . . 5011 1 245 . 1 1 42 42 THR HG23 H 1 1.20 . . 1 . . . . . . . . 5011 1 246 . 1 1 43 43 ASP N N 15 124.3 . . 1 . . . . . . . . 5011 1 247 . 1 1 43 43 ASP H H 1 8.21 . . 1 . . . . . . . . 5011 1 248 . 1 1 43 43 ASP HA H 1 4.45 . . 1 . . . . . . . . 5011 1 249 . 1 1 43 43 ASP HB2 H 1 2.98 . . 2 . . . . . . . . 5011 1 250 . 1 1 43 43 ASP HB3 H 1 2.74 . . 2 . . . . . . . . 5011 1 251 . 1 1 44 44 LEU N N 15 124.3 . . 1 . . . . . . . . 5011 1 252 . 1 1 44 44 LEU H H 1 8.21 . . 1 . . . . . . . . 5011 1 253 . 1 1 44 44 LEU HA H 1 4.33 . . 1 . . . . . . . . 5011 1 254 . 1 1 45 45 ASN N N 15 111.5 . . 1 . . . . . . . . 5011 1 255 . 1 1 45 45 ASN H H 1 7.26 . . 1 . . . . . . . . 5011 1 256 . 1 1 45 45 ASN HA H 1 4.15 . . 1 . . . . . . . . 5011 1 257 . 1 1 45 45 ASN HB2 H 1 2.79 . . 2 . . . . . . . . 5011 1 258 . 1 1 45 45 ASN HB3 H 1 1.20 . . 2 . . . . . . . . 5011 1 259 . 1 1 45 45 ASN ND2 N 15 112.9 . . 1 . . . . . . . . 5011 1 260 . 1 1 45 45 ASN HD21 H 1 7.64 . . 2 . . . . . . . . 5011 1 261 . 1 1 45 45 ASN HD22 H 1 7.11 . . 2 . . . . . . . . 5011 1 262 . 1 1 46 46 ASP N N 15 116.6 . . 1 . . . . . . . . 5011 1 263 . 1 1 46 46 ASP H H 1 7.31 . . 1 . . . . . . . . 5011 1 264 . 1 1 46 46 ASP HA H 1 4.31 . . 1 . . . . . . . . 5011 1 265 . 1 1 46 46 ASP HB2 H 1 2.36 . . 2 . . . . . . . . 5011 1 266 . 1 1 46 46 ASP HB3 H 1 2.26 . . 2 . . . . . . . . 5011 1 267 . 1 1 47 47 TYR N N 15 115.3 . . 1 . . . . . . . . 5011 1 268 . 1 1 47 47 TYR H H 1 6.85 . . 1 . . . . . . . . 5011 1 269 . 1 1 47 47 TYR HA H 1 4.68 . . 1 . . . . . . . . 5011 1 270 . 1 1 47 47 TYR HB2 H 1 3.31 . . 2 . . . . . . . . 5011 1 271 . 1 1 47 47 TYR HB3 H 1 2.56 . . 2 . . . . . . . . 5011 1 272 . 1 1 47 47 TYR HD1 H 1 7.00 . . 1 . . . . . . . . 5011 1 273 . 1 1 47 47 TYR HD2 H 1 7.00 . . 1 . . . . . . . . 5011 1 274 . 1 1 48 48 GLN N N 15 120.5 . . 1 . . . . . . . . 5011 1 275 . 1 1 48 48 GLN H H 1 9.51 . . 1 . . . . . . . . 5011 1 276 . 1 1 48 48 GLN HA H 1 4.22 . . 1 . . . . . . . . 5011 1 277 . 1 1 48 48 GLN HB2 H 1 1.70 . . 2 . . . . . . . . 5011 1 278 . 1 1 48 48 GLN HB3 H 1 1.64 . . 2 . . . . . . . . 5011 1 279 . 1 1 48 48 GLN HG2 H 1 2.14 . . 1 . . . . . . . . 5011 1 280 . 1 1 48 48 GLN HG3 H 1 2.14 . . 1 . . . . . . . . 5011 1 281 . 1 1 48 48 GLN NE2 N 15 111.4 . . 1 . . . . . . . . 5011 1 282 . 1 1 48 48 GLN HE21 H 1 7.26 . . 2 . . . . . . . . 5011 1 283 . 1 1 48 48 GLN HE22 H 1 6.84 . . 2 . . . . . . . . 5011 1 284 . 1 1 49 49 TYR N N 15 117.4 . . 1 . . . . . . . . 5011 1 285 . 1 1 49 49 TYR H H 1 6.92 . . 1 . . . . . . . . 5011 1 286 . 1 1 49 49 TYR HA H 1 5.30 . . 1 . . . . . . . . 5011 1 287 . 1 1 49 49 TYR HB2 H 1 2.71 . . 2 . . . . . . . . 5011 1 288 . 1 1 50 50 LEU N N 15 123.8 . . 1 . . . . . . . . 5011 1 289 . 1 1 50 50 LEU H H 1 9.00 . . 1 . . . . . . . . 5011 1 290 . 1 1 50 50 LEU HA H 1 5.57 . . 1 . . . . . . . . 5011 1 291 . 1 1 50 50 LEU HB2 H 1 1.89 . . 2 . . . . . . . . 5011 1 292 . 1 1 50 50 LEU HB3 H 1 1.31 . . 2 . . . . . . . . 5011 1 293 . 1 1 50 50 LEU HG H 1 1.57 . . 1 . . . . . . . . 5011 1 294 . 1 1 50 50 LEU HD11 H 1 1.08 . . 2 . . . . . . . . 5011 1 295 . 1 1 50 50 LEU HD12 H 1 1.08 . . 2 . . . . . . . . 5011 1 296 . 1 1 50 50 LEU HD13 H 1 1.08 . . 2 . . . . . . . . 5011 1 297 . 1 1 50 50 LEU HD21 H 1 0.97 . . 2 . . . . . . . . 5011 1 298 . 1 1 50 50 LEU HD22 H 1 0.97 . . 2 . . . . . . . . 5011 1 299 . 1 1 50 50 LEU HD23 H 1 0.97 . . 2 . . . . . . . . 5011 1 300 . 1 1 51 51 ILE N N 15 118.7 . . 1 . . . . . . . . 5011 1 301 . 1 1 51 51 ILE H H 1 8.94 . . 1 . . . . . . . . 5011 1 302 . 1 1 51 51 ILE HA H 1 4.88 . . 1 . . . . . . . . 5011 1 303 . 1 1 51 51 ILE HB H 1 1.48 . . 1 . . . . . . . . 5011 1 304 . 1 1 51 51 ILE HG21 H 1 0.72 . . 1 . . . . . . . . 5011 1 305 . 1 1 51 51 ILE HG22 H 1 0.72 . . 1 . . . . . . . . 5011 1 306 . 1 1 51 51 ILE HG23 H 1 0.72 . . 1 . . . . . . . . 5011 1 307 . 1 1 51 51 ILE HD11 H 1 0.27 . . 1 . . . . . . . . 5011 1 308 . 1 1 51 51 ILE HD12 H 1 0.27 . . 1 . . . . . . . . 5011 1 309 . 1 1 51 51 ILE HD13 H 1 0.27 . . 1 . . . . . . . . 5011 1 310 . 1 1 52 52 ILE N N 15 131.1 . . 1 . . . . . . . . 5011 1 311 . 1 1 52 52 ILE H H 1 9.60 . . 1 . . . . . . . . 5011 1 312 . 1 1 52 52 ILE HA H 1 4.99 . . 1 . . . . . . . . 5011 1 313 . 1 1 52 52 ILE HB H 1 1.84 . . 1 . . . . . . . . 5011 1 314 . 1 1 53 53 GLY N N 15 111.8 . . 1 . . . . . . . . 5011 1 315 . 1 1 53 53 GLY H H 1 9.27 . . 1 . . . . . . . . 5011 1 316 . 1 1 57 57 TRP HE3 H 1 7.67 . . 1 . . . . . . . . 5011 1 317 . 1 1 57 57 TRP CE3 C 13 121.2 . . 1 . . . . . . . . 5011 1 318 . 1 1 57 57 TRP HZ3 H 1 7.25 . . 1 . . . . . . . . 5011 1 319 . 1 1 57 57 TRP CZ3 C 13 124.7 . . 1 . . . . . . . . 5011 1 320 . 1 1 57 57 TRP HZ2 H 1 7.57 . . 1 . . . . . . . . 5011 1 321 . 1 1 57 57 TRP CZ2 C 13 115.0 . . 1 . . . . . . . . 5011 1 322 . 1 1 57 57 TRP HH2 H 1 7.17 . . 1 . . . . . . . . 5011 1 323 . 1 1 57 57 TRP CH2 C 13 122.0 . . 1 . . . . . . . . 5011 1 324 . 1 1 66 66 TRP HE3 H 1 7.82 . . 1 . . . . . . . . 5011 1 325 . 1 1 66 66 TRP HZ3 H 1 6.93 . . 1 . . . . . . . . 5011 1 326 . 1 1 66 66 TRP CZ3 C 13 123.3 . . 1 . . . . . . . . 5011 1 327 . 1 1 66 66 TRP HZ2 H 1 7.49 . . 1 . . . . . . . . 5011 1 328 . 1 1 66 66 TRP CZ2 C 13 115.8 . . 1 . . . . . . . . 5011 1 329 . 1 1 66 66 TRP HH2 H 1 6.84 . . 1 . . . . . . . . 5011 1 330 . 1 1 66 66 TRP CH2 C 13 120.8 . . 1 . . . . . . . . 5011 1 331 . 1 1 70 70 TYR H H 1 8.69 . . 1 . . . . . . . . 5011 1 332 . 1 1 70 70 TYR HB2 H 1 3.26 . . 2 . . . . . . . . 5011 1 333 . 1 1 70 70 TYR HB3 H 1 3.18 . . 2 . . . . . . . . 5011 1 334 . 1 1 70 70 TYR HD1 H 1 7.00 . . 1 . . . . . . . . 5011 1 335 . 1 1 70 70 TYR HD2 H 1 7.00 . . 1 . . . . . . . . 5011 1 336 . 1 1 71 71 SER N N 15 112.2 . . 1 . . . . . . . . 5011 1 337 . 1 1 71 71 SER H H 1 8.04 . . 1 . . . . . . . . 5011 1 338 . 1 1 71 71 SER HA H 1 4.21 . . 1 . . . . . . . . 5011 1 339 . 1 1 71 71 SER HB2 H 1 4.08 . . 1 . . . . . . . . 5011 1 340 . 1 1 71 71 SER HB3 H 1 4.08 . . 1 . . . . . . . . 5011 1 341 . 1 1 72 72 GLU N N 15 120.2 . . 1 . . . . . . . . 5011 1 342 . 1 1 72 72 GLU H H 1 7.83 . . 1 . . . . . . . . 5011 1 343 . 1 1 72 72 GLU HA H 1 4.48 . . 1 . . . . . . . . 5011 1 344 . 1 1 72 72 GLU HB2 H 1 2.24 . . 2 . . . . . . . . 5011 1 345 . 1 1 72 72 GLU HB3 H 1 1.99 . . 2 . . . . . . . . 5011 1 346 . 1 1 72 72 GLU HG2 H 1 2.39 . . 1 . . . . . . . . 5011 1 347 . 1 1 72 72 GLU HG3 H 1 2.39 . . 1 . . . . . . . . 5011 1 348 . 1 1 73 73 LEU N N 15 117.9 . . 1 . . . . . . . . 5011 1 349 . 1 1 73 73 LEU H H 1 7.44 . . 1 . . . . . . . . 5011 1 350 . 1 1 73 73 LEU HA H 1 3.99 . . 1 . . . . . . . . 5011 1 351 . 1 1 73 73 LEU HB2 H 1 1.71 . . 2 . . . . . . . . 5011 1 352 . 1 1 73 73 LEU HB3 H 1 1.34 . . 2 . . . . . . . . 5011 1 353 . 1 1 73 73 LEU HG H 1 2.22 . . 1 . . . . . . . . 5011 1 354 . 1 1 73 73 LEU HD11 H 1 0.87 . . 1 . . . . . . . . 5011 1 355 . 1 1 73 73 LEU HD12 H 1 0.87 . . 1 . . . . . . . . 5011 1 356 . 1 1 73 73 LEU HD13 H 1 0.87 . . 1 . . . . . . . . 5011 1 357 . 1 1 73 73 LEU HD21 H 1 0.87 . . 1 . . . . . . . . 5011 1 358 . 1 1 73 73 LEU HD22 H 1 0.87 . . 1 . . . . . . . . 5011 1 359 . 1 1 73 73 LEU HD23 H 1 0.87 . . 1 . . . . . . . . 5011 1 360 . 1 1 74 74 ASP N N 15 115.1 . . 1 . . . . . . . . 5011 1 361 . 1 1 74 74 ASP H H 1 7.71 . . 1 . . . . . . . . 5011 1 362 . 1 1 74 74 ASP HA H 1 4.33 . . 1 . . . . . . . . 5011 1 363 . 1 1 74 74 ASP HB2 H 1 2.66 . . 2 . . . . . . . . 5011 1 364 . 1 1 74 74 ASP HB3 H 1 2.54 . . 2 . . . . . . . . 5011 1 365 . 1 1 75 75 ASP N N 15 116.3 . . 1 . . . . . . . . 5011 1 366 . 1 1 75 75 ASP H H 1 7.75 . . 1 . . . . . . . . 5011 1 367 . 1 1 75 75 ASP HA H 1 4.70 . . 1 . . . . . . . . 5011 1 368 . 1 1 75 75 ASP HB2 H 1 2.79 . . 2 . . . . . . . . 5011 1 369 . 1 1 75 75 ASP HB3 H 1 2.68 . . 2 . . . . . . . . 5011 1 370 . 1 1 76 76 VAL N N 15 120.5 . . 1 . . . . . . . . 5011 1 371 . 1 1 76 76 VAL H H 1 7.55 . . 1 . . . . . . . . 5011 1 372 . 1 1 76 76 VAL HA H 1 4.00 . . 1 . . . . . . . . 5011 1 373 . 1 1 76 76 VAL HB H 1 1.83 . . 1 . . . . . . . . 5011 1 374 . 1 1 76 76 VAL HG11 H 1 0.68 . . 2 . . . . . . . . 5011 1 375 . 1 1 76 76 VAL HG12 H 1 0.68 . . 2 . . . . . . . . 5011 1 376 . 1 1 76 76 VAL HG13 H 1 0.68 . . 2 . . . . . . . . 5011 1 377 . 1 1 76 76 VAL HG21 H 1 -0.04 . . 2 . . . . . . . . 5011 1 378 . 1 1 76 76 VAL HG22 H 1 -0.04 . . 2 . . . . . . . . 5011 1 379 . 1 1 76 76 VAL HG23 H 1 -0.04 . . 2 . . . . . . . . 5011 1 380 . 1 1 77 77 ASP N N 15 126.1 . . 1 . . . . . . . . 5011 1 381 . 1 1 77 77 ASP H H 1 8.64 . . 1 . . . . . . . . 5011 1 382 . 1 1 77 77 ASP HA H 1 4.90 . . 1 . . . . . . . . 5011 1 383 . 1 1 77 77 ASP HB2 H 1 2.86 . . 2 . . . . . . . . 5011 1 384 . 1 1 77 77 ASP HB3 H 1 2.56 . . 2 . . . . . . . . 5011 1 385 . 1 1 78 78 PHE N N 15 123.1 . . 1 . . . . . . . . 5011 1 386 . 1 1 78 78 PHE H H 1 8.32 . . 1 . . . . . . . . 5011 1 387 . 1 1 78 78 PHE HA H 1 4.20 . . 1 . . . . . . . . 5011 1 388 . 1 1 78 78 PHE HB2 H 1 3.01 . . 2 . . . . . . . . 5011 1 389 . 1 1 78 78 PHE HB3 H 1 2.54 . . 2 . . . . . . . . 5011 1 390 . 1 1 78 78 PHE HD1 H 1 7.02 . . 1 . . . . . . . . 5011 1 391 . 1 1 78 78 PHE HD2 H 1 7.02 . . 1 . . . . . . . . 5011 1 392 . 1 1 79 79 ASN N N 15 119.6 . . 1 . . . . . . . . 5011 1 393 . 1 1 79 79 ASN H H 1 8.64 . . 1 . . . . . . . . 5011 1 394 . 1 1 79 79 ASN HA H 1 4.46 . . 1 . . . . . . . . 5011 1 395 . 1 1 79 79 ASN HB2 H 1 3.06 . . 2 . . . . . . . . 5011 1 396 . 1 1 79 79 ASN HB3 H 1 2.64 . . 2 . . . . . . . . 5011 1 397 . 1 1 79 79 ASN ND2 N 15 116.5 . . 1 . . . . . . . . 5011 1 398 . 1 1 79 79 ASN HD21 H 1 8.52 . . 2 . . . . . . . . 5011 1 399 . 1 1 79 79 ASN HD22 H 1 7.02 . . 2 . . . . . . . . 5011 1 400 . 1 1 80 80 GLY N N 15 113.3 . . 1 . . . . . . . . 5011 1 401 . 1 1 80 80 GLY H H 1 8.64 . . 1 . . . . . . . . 5011 1 402 . 1 1 80 80 GLY HA2 H 1 4.28 . . 2 . . . . . . . . 5011 1 403 . 1 1 80 80 GLY HA3 H 1 3.71 . . 2 . . . . . . . . 5011 1 404 . 1 1 81 81 LYS N N 15 119.1 . . 1 . . . . . . . . 5011 1 405 . 1 1 81 81 LYS H H 1 8.11 . . 1 . . . . . . . . 5011 1 406 . 1 1 81 81 LYS HA H 1 4.90 . . 1 . . . . . . . . 5011 1 407 . 1 1 81 81 LYS HB2 H 1 1.97 . . 2 . . . . . . . . 5011 1 408 . 1 1 81 81 LYS HB3 H 1 1.47 . . 2 . . . . . . . . 5011 1 409 . 1 1 81 81 LYS HG2 H 1 1.28 . . 1 . . . . . . . . 5011 1 410 . 1 1 81 81 LYS HG3 H 1 1.28 . . 1 . . . . . . . . 5011 1 411 . 1 1 82 82 LEU N N 15 124.4 . . 1 . . . . . . . . 5011 1 412 . 1 1 82 82 LEU H H 1 8.08 . . 1 . . . . . . . . 5011 1 413 . 1 1 82 82 LEU HA H 1 5.55 . . 1 . . . . . . . . 5011 1 414 . 1 1 82 82 LEU HB2 H 1 2.18 . . 2 . . . . . . . . 5011 1 415 . 1 1 82 82 LEU HB3 H 1 1.75 . . 2 . . . . . . . . 5011 1 416 . 1 1 82 82 LEU HG H 1 2.05 . . 1 . . . . . . . . 5011 1 417 . 1 1 82 82 LEU HD11 H 1 1.30 . . 2 . . . . . . . . 5011 1 418 . 1 1 82 82 LEU HD12 H 1 1.30 . . 2 . . . . . . . . 5011 1 419 . 1 1 82 82 LEU HD13 H 1 1.30 . . 2 . . . . . . . . 5011 1 420 . 1 1 82 82 LEU HD21 H 1 1.10 . . 2 . . . . . . . . 5011 1 421 . 1 1 82 82 LEU HD22 H 1 1.10 . . 2 . . . . . . . . 5011 1 422 . 1 1 82 82 LEU HD23 H 1 1.10 . . 2 . . . . . . . . 5011 1 423 . 1 1 83 83 VAL N N 15 123.5 . . 1 . . . . . . . . 5011 1 424 . 1 1 83 83 VAL H H 1 8.92 . . 1 . . . . . . . . 5011 1 425 . 1 1 83 83 VAL HA H 1 5.01 . . 1 . . . . . . . . 5011 1 426 . 1 1 83 83 VAL HB H 1 1.88 . . 1 . . . . . . . . 5011 1 427 . 1 1 83 83 VAL HG11 H 1 0.71 . . 2 . . . . . . . . 5011 1 428 . 1 1 83 83 VAL HG12 H 1 0.71 . . 2 . . . . . . . . 5011 1 429 . 1 1 83 83 VAL HG13 H 1 0.71 . . 2 . . . . . . . . 5011 1 430 . 1 1 83 83 VAL HG21 H 1 0.54 . . 2 . . . . . . . . 5011 1 431 . 1 1 83 83 VAL HG22 H 1 0.54 . . 2 . . . . . . . . 5011 1 432 . 1 1 83 83 VAL HG23 H 1 0.54 . . 2 . . . . . . . . 5011 1 433 . 1 1 84 84 ALA N N 15 129.3 . . 1 . . . . . . . . 5011 1 434 . 1 1 84 84 ALA H H 1 8.76 . . 1 . . . . . . . . 5011 1 435 . 1 1 84 84 ALA HA H 1 5.58 . . 1 . . . . . . . . 5011 1 436 . 1 1 84 84 ALA HB1 H 1 1.45 . . 1 . . . . . . . . 5011 1 437 . 1 1 84 84 ALA HB2 H 1 1.45 . . 1 . . . . . . . . 5011 1 438 . 1 1 84 84 ALA HB3 H 1 1.45 . . 1 . . . . . . . . 5011 1 439 . 1 1 85 85 TYR N N 15 118.7 . . 1 . . . . . . . . 5011 1 440 . 1 1 85 85 TYR H H 1 10.72 . . 1 . . . . . . . . 5011 1 441 . 1 1 85 85 TYR HA H 1 5.70 . . 1 . . . . . . . . 5011 1 442 . 1 1 85 85 TYR HB2 H 1 2.51 . . 2 . . . . . . . . 5011 1 443 . 1 1 85 85 TYR HB3 H 1 2.28 . . 2 . . . . . . . . 5011 1 444 . 1 1 86 86 PHE N N 15 114.0 . . 1 . . . . . . . . 5011 1 445 . 1 1 86 86 PHE H H 1 9.16 . . 1 . . . . . . . . 5011 1 446 . 1 1 86 86 PHE HA H 1 5.12 . . 1 . . . . . . . . 5011 1 447 . 1 1 86 86 PHE HB2 H 1 2.51 . . 2 . . . . . . . . 5011 1 448 . 1 1 86 86 PHE HB3 H 1 2.28 . . 2 . . . . . . . . 5011 1 449 . 1 1 86 86 PHE HD1 H 1 6.73 . . 1 . . . . . . . . 5011 1 450 . 1 1 86 86 PHE HD2 H 1 6.73 . . 1 . . . . . . . . 5011 1 451 . 1 1 87 87 GLY N N 15 104.3 . . 1 . . . . . . . . 5011 1 452 . 1 1 87 87 GLY H H 1 7.92 . . 1 . . . . . . . . 5011 1 453 . 1 1 87 87 GLY HA2 H 1 4.29 . . 2 . . . . . . . . 5011 1 454 . 1 1 87 87 GLY HA3 H 1 3.64 . . 2 . . . . . . . . 5011 1 455 . 1 1 88 88 THR N N 15 119.6 . . 1 . . . . . . . . 5011 1 456 . 1 1 88 88 THR H H 1 8.16 . . 1 . . . . . . . . 5011 1 457 . 1 1 88 88 THR HA H 1 5.20 . . 1 . . . . . . . . 5011 1 458 . 1 1 88 88 THR HB H 1 3.68 . . 1 . . . . . . . . 5011 1 459 . 1 1 88 88 THR HG21 H 1 1.16 . . 1 . . . . . . . . 5011 1 460 . 1 1 88 88 THR HG22 H 1 1.16 . . 1 . . . . . . . . 5011 1 461 . 1 1 88 88 THR HG23 H 1 1.16 . . 1 . . . . . . . . 5011 1 462 . 1 1 89 89 GLY N N 15 109.8 . . 1 . . . . . . . . 5011 1 463 . 1 1 89 89 GLY H H 1 8.24 . . 1 . . . . . . . . 5011 1 464 . 1 1 89 89 GLY HA2 H 1 4.30 . . 2 . . . . . . . . 5011 1 465 . 1 1 89 89 GLY HA3 H 1 3.77 . . 2 . . . . . . . . 5011 1 466 . 1 1 90 90 ASP N N 15 119.4 . . 1 . . . . . . . . 5011 1 467 . 1 1 90 90 ASP H H 1 8.18 . . 1 . . . . . . . . 5011 1 468 . 1 1 90 90 ASP HA H 1 5.17 . . 1 . . . . . . . . 5011 1 469 . 1 1 90 90 ASP HB2 H 1 3.13 . . 2 . . . . . . . . 5011 1 470 . 1 1 90 90 ASP HB3 H 1 3.02 . . 2 . . . . . . . . 5011 1 471 . 1 1 91 91 GLN N N 15 123.3 . . 1 . . . . . . . . 5011 1 472 . 1 1 91 91 GLN H H 1 8.71 . . 1 . . . . . . . . 5011 1 473 . 1 1 91 91 GLN HA H 1 3.59 . . 1 . . . . . . . . 5011 1 474 . 1 1 91 91 GLN HB2 H 1 2.31 . . 2 . . . . . . . . 5011 1 475 . 1 1 91 91 GLN HB3 H 1 2.15 . . 2 . . . . . . . . 5011 1 476 . 1 1 91 91 GLN HG2 H 1 2.88 . . 1 . . . . . . . . 5011 1 477 . 1 1 91 91 GLN HG3 H 1 2.88 . . 1 . . . . . . . . 5011 1 478 . 1 1 91 91 GLN NE2 N 15 109.4 . . 1 . . . . . . . . 5011 1 479 . 1 1 91 91 GLN HE21 H 1 9.24 . . 2 . . . . . . . . 5011 1 480 . 1 1 91 91 GLN HE22 H 1 6.34 . . 2 . . . . . . . . 5011 1 481 . 1 1 92 92 ILE N N 15 117.3 . . 1 . . . . . . . . 5011 1 482 . 1 1 92 92 ILE H H 1 7.48 . . 1 . . . . . . . . 5011 1 483 . 1 1 92 92 ILE HA H 1 4.10 . . 1 . . . . . . . . 5011 1 484 . 1 1 92 92 ILE HB H 1 1.97 . . 1 . . . . . . . . 5011 1 485 . 1 1 92 92 ILE HG21 H 1 0.87 . . 1 . . . . . . . . 5011 1 486 . 1 1 92 92 ILE HG22 H 1 0.87 . . 1 . . . . . . . . 5011 1 487 . 1 1 92 92 ILE HG23 H 1 0.87 . . 1 . . . . . . . . 5011 1 488 . 1 1 92 92 ILE HG12 H 1 1.46 . . 2 . . . . . . . . 5011 1 489 . 1 1 92 92 ILE HG13 H 1 1.26 . . 2 . . . . . . . . 5011 1 490 . 1 1 92 92 ILE HD11 H 1 0.79 . . 1 . . . . . . . . 5011 1 491 . 1 1 92 92 ILE HD12 H 1 0.79 . . 1 . . . . . . . . 5011 1 492 . 1 1 92 92 ILE HD13 H 1 0.79 . . 1 . . . . . . . . 5011 1 493 . 1 1 93 93 GLY N N 15 109.2 . . 1 . . . . . . . . 5011 1 494 . 1 1 93 93 GLY H H 1 8.87 . . 1 . . . . . . . . 5011 1 495 . 1 1 93 93 GLY HA2 H 1 3.77 . . 2 . . . . . . . . 5011 1 496 . 1 1 93 93 GLY HA3 H 1 3.56 . . 2 . . . . . . . . 5011 1 497 . 1 1 94 94 TYR N N 15 119.9 . . 1 . . . . . . . . 5011 1 498 . 1 1 94 94 TYR H H 1 7.56 . . 1 . . . . . . . . 5011 1 499 . 1 1 94 94 TYR HA H 1 5.05 . . 1 . . . . . . . . 5011 1 500 . 1 1 94 94 TYR HB2 H 1 3.16 . . 2 . . . . . . . . 5011 1 501 . 1 1 94 94 TYR HB3 H 1 2.99 . . 2 . . . . . . . . 5011 1 502 . 1 1 95 95 ALA N N 15 121.0 . . 1 . . . . . . . . 5011 1 503 . 1 1 95 95 ALA H H 1 7.34 . . 1 . . . . . . . . 5011 1 504 . 1 1 95 95 ALA HA H 1 4.33 . . 1 . . . . . . . . 5011 1 505 . 1 1 95 95 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 5011 1 506 . 1 1 95 95 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 5011 1 507 . 1 1 95 95 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 5011 1 508 . 1 1 96 96 ASP N N 15 115.7 . . 1 . . . . . . . . 5011 1 509 . 1 1 96 96 ASP H H 1 8.69 . . 1 . . . . . . . . 5011 1 510 . 1 1 96 96 ASP HA H 1 4.87 . . 1 . . . . . . . . 5011 1 511 . 1 1 96 96 ASP HB2 H 1 2.90 . . 2 . . . . . . . . 5011 1 512 . 1 1 96 96 ASP HB3 H 1 2.59 . . 2 . . . . . . . . 5011 1 513 . 1 1 97 97 ASN N N 15 119.8 . . 1 . . . . . . . . 5011 1 514 . 1 1 97 97 ASN H H 1 7.82 . . 1 . . . . . . . . 5011 1 515 . 1 1 97 97 ASN HA H 1 5.21 . . 1 . . . . . . . . 5011 1 516 . 1 1 97 97 ASN HB2 H 1 3.17 . . 2 . . . . . . . . 5011 1 517 . 1 1 97 97 ASN HB3 H 1 1.97 . . 2 . . . . . . . . 5011 1 518 . 1 1 97 97 ASN ND2 N 15 111.8 . . 1 . . . . . . . . 5011 1 519 . 1 1 97 97 ASN HD21 H 1 8.61 . . 2 . . . . . . . . 5011 1 520 . 1 1 97 97 ASN HD22 H 1 6.63 . . 2 . . . . . . . . 5011 1 521 . 1 1 98 98 PHE N N 15 122.0 . . 1 . . . . . . . . 5011 1 522 . 1 1 98 98 PHE H H 1 7.66 . . 1 . . . . . . . . 5011 1 523 . 1 1 98 98 PHE HA H 1 4.64 . . 1 . . . . . . . . 5011 1 524 . 1 1 98 98 PHE HB2 H 1 3.31 . . 2 . . . . . . . . 5011 1 525 . 1 1 98 98 PHE HB3 H 1 2.79 . . 2 . . . . . . . . 5011 1 526 . 1 1 100 100 ASP N N 15 117.2 . . 1 . . . . . . . . 5011 1 527 . 1 1 100 100 ASP H H 1 7.20 . . 1 . . . . . . . . 5011 1 528 . 1 1 100 100 ASP HA H 1 4.12 . . 1 . . . . . . . . 5011 1 529 . 1 1 100 100 ASP HB2 H 1 2.44 . . 1 . . . . . . . . 5011 1 530 . 1 1 100 100 ASP HB3 H 1 2.44 . . 1 . . . . . . . . 5011 1 531 . 1 1 101 101 ALA N N 15 117.7 . . 1 . . . . . . . . 5011 1 532 . 1 1 101 101 ALA H H 1 8.46 . . 1 . . . . . . . . 5011 1 533 . 1 1 101 101 ALA HA H 1 3.72 . . 1 . . . . . . . . 5011 1 534 . 1 1 101 101 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 5011 1 535 . 1 1 101 101 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 5011 1 536 . 1 1 101 101 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 5011 1 537 . 1 1 102 102 ILE N N 15 117.2 . . 1 . . . . . . . . 5011 1 538 . 1 1 102 102 ILE H H 1 7.20 . . 1 . . . . . . . . 5011 1 539 . 1 1 102 102 ILE HA H 1 3.89 . . 1 . . . . . . . . 5011 1 540 . 1 1 102 102 ILE HB H 1 1.50 . . 1 . . . . . . . . 5011 1 541 . 1 1 102 102 ILE HG12 H 1 1.37 . . 2 . . . . . . . . 5011 1 542 . 1 1 102 102 ILE HG13 H 1 1.13 . . 2 . . . . . . . . 5011 1 543 . 1 1 103 103 GLY N N 15 107.8 . . 1 . . . . . . . . 5011 1 544 . 1 1 103 103 GLY H H 1 7.14 . . 1 . . . . . . . . 5011 1 545 . 1 1 103 103 GLY HA2 H 1 3.50 . . 2 . . . . . . . . 5011 1 546 . 1 1 103 103 GLY HA3 H 1 3.26 . . 2 . . . . . . . . 5011 1 547 . 1 1 104 104 ILE N N 15 123.9 . . 1 . . . . . . . . 5011 1 548 . 1 1 104 104 ILE H H 1 8.11 . . 1 . . . . . . . . 5011 1 549 . 1 1 104 104 ILE HA H 1 3.71 . . 1 . . . . . . . . 5011 1 550 . 1 1 104 104 ILE HB H 1 1.70 . . 1 . . . . . . . . 5011 1 551 . 1 1 104 104 ILE HG21 H 1 0.65 . . 1 . . . . . . . . 5011 1 552 . 1 1 104 104 ILE HG22 H 1 0.65 . . 1 . . . . . . . . 5011 1 553 . 1 1 104 104 ILE HG23 H 1 0.65 . . 1 . . . . . . . . 5011 1 554 . 1 1 104 104 ILE HG12 H 1 1.53 . . 2 . . . . . . . . 5011 1 555 . 1 1 104 104 ILE HD11 H 1 0.95 . . 1 . . . . . . . . 5011 1 556 . 1 1 104 104 ILE HD12 H 1 0.95 . . 1 . . . . . . . . 5011 1 557 . 1 1 104 104 ILE HD13 H 1 0.95 . . 1 . . . . . . . . 5011 1 558 . 1 1 105 105 LEU N N 15 120.2 . . 1 . . . . . . . . 5011 1 559 . 1 1 105 105 LEU H H 1 7.88 . . 1 . . . . . . . . 5011 1 560 . 1 1 105 105 LEU HA H 1 3.82 . . 1 . . . . . . . . 5011 1 561 . 1 1 105 105 LEU HB2 H 1 1.51 . . 2 . . . . . . . . 5011 1 562 . 1 1 105 105 LEU HB3 H 1 1.01 . . 2 . . . . . . . . 5011 1 563 . 1 1 105 105 LEU HG H 1 1.41 . . 1 . . . . . . . . 5011 1 564 . 1 1 105 105 LEU HD11 H 1 0.52 . . 2 . . . . . . . . 5011 1 565 . 1 1 105 105 LEU HD12 H 1 0.52 . . 2 . . . . . . . . 5011 1 566 . 1 1 105 105 LEU HD13 H 1 0.52 . . 2 . . . . . . . . 5011 1 567 . 1 1 105 105 LEU HD21 H 1 -0.16 . . 2 . . . . . . . . 5011 1 568 . 1 1 105 105 LEU HD22 H 1 -0.16 . . 2 . . . . . . . . 5011 1 569 . 1 1 105 105 LEU HD23 H 1 -0.16 . . 2 . . . . . . . . 5011 1 570 . 1 1 106 106 GLU N N 15 119.4 . . 1 . . . . . . . . 5011 1 571 . 1 1 106 106 GLU H H 1 7.88 . . 1 . . . . . . . . 5011 1 572 . 1 1 106 106 GLU HA H 1 3.90 . . 1 . . . . . . . . 5011 1 573 . 1 1 106 106 GLU HB2 H 1 1.52 . . 2 . . . . . . . . 5011 1 574 . 1 1 106 106 GLU HB3 H 1 0.29 . . 2 . . . . . . . . 5011 1 575 . 1 1 107 107 GLU N N 15 118.8 . . 1 . . . . . . . . 5011 1 576 . 1 1 107 107 GLU H H 1 7.59 . . 1 . . . . . . . . 5011 1 577 . 1 1 107 107 GLU HA H 1 3.77 . . 1 . . . . . . . . 5011 1 578 . 1 1 107 107 GLU HB2 H 1 2.04 . . 1 . . . . . . . . 5011 1 579 . 1 1 107 107 GLU HB3 H 1 2.04 . . 1 . . . . . . . . 5011 1 580 . 1 1 108 108 LYS N N 15 118.1 . . 1 . . . . . . . . 5011 1 581 . 1 1 108 108 LYS H H 1 7.03 . . 1 . . . . . . . . 5011 1 582 . 1 1 108 108 LYS HA H 1 4.13 . . 1 . . . . . . . . 5011 1 583 . 1 1 108 108 LYS HB2 H 1 2.02 . . 2 . . . . . . . . 5011 1 584 . 1 1 108 108 LYS HB3 H 1 1.85 . . 2 . . . . . . . . 5011 1 585 . 1 1 108 108 LYS HG2 H 1 1.47 . . 2 . . . . . . . . 5011 1 586 . 1 1 108 108 LYS HG3 H 1 1.11 . . 2 . . . . . . . . 5011 1 587 . 1 1 109 109 ILE N N 15 120.5 . . 1 . . . . . . . . 5011 1 588 . 1 1 109 109 ILE H H 1 8.48 . . 1 . . . . . . . . 5011 1 589 . 1 1 109 109 ILE HA H 1 2.91 . . 1 . . . . . . . . 5011 1 590 . 1 1 109 109 ILE HB H 1 1.93 . . 1 . . . . . . . . 5011 1 591 . 1 1 109 109 ILE HG21 H 1 -0.06 . . 1 . . . . . . . . 5011 1 592 . 1 1 109 109 ILE HG22 H 1 -0.06 . . 1 . . . . . . . . 5011 1 593 . 1 1 109 109 ILE HG23 H 1 -0.06 . . 1 . . . . . . . . 5011 1 594 . 1 1 109 109 ILE HG12 H 1 1.47 . . 2 . . . . . . . . 5011 1 595 . 1 1 109 109 ILE HG13 H 1 -0.04 . . 2 . . . . . . . . 5011 1 596 . 1 1 109 109 ILE HD11 H 1 0.54 . . 1 . . . . . . . . 5011 1 597 . 1 1 109 109 ILE HD12 H 1 0.54 . . 1 . . . . . . . . 5011 1 598 . 1 1 109 109 ILE HD13 H 1 0.54 . . 1 . . . . . . . . 5011 1 599 . 1 1 110 110 SER N N 15 117.4 . . 1 . . . . . . . . 5011 1 600 . 1 1 110 110 SER H H 1 8.94 . . 1 . . . . . . . . 5011 1 601 . 1 1 110 110 SER HA H 1 4.80 . . 1 . . . . . . . . 5011 1 602 . 1 1 110 110 SER HB2 H 1 3.99 . . 2 . . . . . . . . 5011 1 603 . 1 1 110 110 SER HB3 H 1 3.89 . . 2 . . . . . . . . 5011 1 604 . 1 1 111 111 GLN N N 15 124.9 . . 1 . . . . . . . . 5011 1 605 . 1 1 111 111 GLN H H 1 7.65 . . 1 . . . . . . . . 5011 1 606 . 1 1 111 111 GLN HA H 1 4.15 . . 1 . . . . . . . . 5011 1 607 . 1 1 111 111 GLN HB2 H 1 2.44 . . 2 . . . . . . . . 5011 1 608 . 1 1 111 111 GLN HB3 H 1 2.31 . . 2 . . . . . . . . 5011 1 609 . 1 1 111 111 GLN HG2 H 1 2.67 . . 2 . . . . . . . . 5011 1 610 . 1 1 111 111 GLN HG3 H 1 2.45 . . 2 . . . . . . . . 5011 1 611 . 1 1 111 111 GLN NE2 N 15 111.6 . . 1 . . . . . . . . 5011 1 612 . 1 1 111 111 GLN HE21 H 1 7.53 . . 2 . . . . . . . . 5011 1 613 . 1 1 111 111 GLN HE22 H 1 6.87 . . 2 . . . . . . . . 5011 1 614 . 1 1 112 112 ARG N N 15 116.1 . . 1 . . . . . . . . 5011 1 615 . 1 1 112 112 ARG H H 1 7.50 . . 1 . . . . . . . . 5011 1 616 . 1 1 112 112 ARG HA H 1 4.42 . . 1 . . . . . . . . 5011 1 617 . 1 1 112 112 ARG HB2 H 1 1.98 . . 1 . . . . . . . . 5011 1 618 . 1 1 112 112 ARG HB3 H 1 1.98 . . 1 . . . . . . . . 5011 1 619 . 1 1 113 113 GLY N N 15 106.9 . . 1 . . . . . . . . 5011 1 620 . 1 1 113 113 GLY H H 1 7.69 . . 1 . . . . . . . . 5011 1 621 . 1 1 113 113 GLY HA2 H 1 4.48 . . 2 . . . . . . . . 5011 1 622 . 1 1 113 113 GLY HA3 H 1 3.72 . . 2 . . . . . . . . 5011 1 623 . 1 1 114 114 GLY N N 15 110.5 . . 1 . . . . . . . . 5011 1 624 . 1 1 114 114 GLY H H 1 8.47 . . 1 . . . . . . . . 5011 1 625 . 1 1 114 114 GLY HA2 H 1 4.08 . . 2 . . . . . . . . 5011 1 626 . 1 1 114 114 GLY HA3 H 1 3.02 . . 2 . . . . . . . . 5011 1 627 . 1 1 115 115 LYS N N 15 126.1 . . 1 . . . . . . . . 5011 1 628 . 1 1 115 115 LYS H H 1 8.18 . . 1 . . . . . . . . 5011 1 629 . 1 1 115 115 LYS HA H 1 4.77 . . 1 . . . . . . . . 5011 1 630 . 1 1 115 115 LYS HB2 H 1 2.14 . . 2 . . . . . . . . 5011 1 631 . 1 1 115 115 LYS HB3 H 1 1.89 . . 2 . . . . . . . . 5011 1 632 . 1 1 115 115 LYS HG2 H 1 1.56 . . 1 . . . . . . . . 5011 1 633 . 1 1 115 115 LYS HG3 H 1 1.56 . . 1 . . . . . . . . 5011 1 634 . 1 1 116 116 THR N N 15 126.7 . . 1 . . . . . . . . 5011 1 635 . 1 1 116 116 THR H H 1 8.58 . . 1 . . . . . . . . 5011 1 636 . 1 1 116 116 THR HA H 1 5.33 . . 1 . . . . . . . . 5011 1 637 . 1 1 116 116 THR HB H 1 4.16 . . 1 . . . . . . . . 5011 1 638 . 1 1 116 116 THR HG21 H 1 0.93 . . 1 . . . . . . . . 5011 1 639 . 1 1 116 116 THR HG22 H 1 0.93 . . 1 . . . . . . . . 5011 1 640 . 1 1 116 116 THR HG23 H 1 0.93 . . 1 . . . . . . . . 5011 1 641 . 1 1 117 117 VAL N N 15 121.7 . . 1 . . . . . . . . 5011 1 642 . 1 1 117 117 VAL H H 1 8.90 . . 1 . . . . . . . . 5011 1 643 . 1 1 117 117 VAL HA H 1 4.55 . . 1 . . . . . . . . 5011 1 644 . 1 1 117 117 VAL HB H 1 2.18 . . 1 . . . . . . . . 5011 1 645 . 1 1 117 117 VAL HG11 H 1 1.00 . . 2 . . . . . . . . 5011 1 646 . 1 1 117 117 VAL HG12 H 1 1.00 . . 2 . . . . . . . . 5011 1 647 . 1 1 117 117 VAL HG13 H 1 1.00 . . 2 . . . . . . . . 5011 1 648 . 1 1 117 117 VAL HG21 H 1 0.40 . . 2 . . . . . . . . 5011 1 649 . 1 1 117 117 VAL HG22 H 1 0.40 . . 2 . . . . . . . . 5011 1 650 . 1 1 117 117 VAL HG23 H 1 0.40 . . 2 . . . . . . . . 5011 1 651 . 1 1 118 118 GLY N N 15 107.5 . . 1 . . . . . . . . 5011 1 652 . 1 1 118 118 GLY H H 1 9.23 . . 1 . . . . . . . . 5011 1 653 . 1 1 118 118 GLY HA2 H 1 4.30 . . 2 . . . . . . . . 5011 1 654 . 1 1 118 118 GLY HA3 H 1 3.70 . . 2 . . . . . . . . 5011 1 655 . 1 1 119 119 TYR N N 15 115.6 . . 1 . . . . . . . . 5011 1 656 . 1 1 119 119 TYR H H 1 7.52 . . 1 . . . . . . . . 5011 1 657 . 1 1 119 119 TYR HA H 1 4.45 . . 1 . . . . . . . . 5011 1 658 . 1 1 119 119 TYR HB2 H 1 2.88 . . 1 . . . . . . . . 5011 1 659 . 1 1 119 119 TYR HB3 H 1 2.88 . . 1 . . . . . . . . 5011 1 660 . 1 1 120 120 TRP N N 15 123.6 . . 1 . . . . . . . . 5011 1 661 . 1 1 120 120 TRP H H 1 8.62 . . 1 . . . . . . . . 5011 1 662 . 1 1 120 120 TRP HA H 1 5.39 . . 1 . . . . . . . . 5011 1 663 . 1 1 120 120 TRP HB2 H 1 3.33 . . 2 . . . . . . . . 5011 1 664 . 1 1 120 120 TRP HB3 H 1 2.96 . . 2 . . . . . . . . 5011 1 665 . 1 1 120 120 TRP NE1 N 15 128.8 . . 1 . . . . . . . . 5011 1 666 . 1 1 120 120 TRP CD1 C 13 126.4 . . 1 . . . . . . . . 5011 1 667 . 1 1 120 120 TRP HD1 H 1 7.29 . . 1 . . . . . . . . 5011 1 668 . 1 1 120 120 TRP CE3 C 13 122.4 . . 1 . . . . . . . . 5011 1 669 . 1 1 120 120 TRP HE3 H 1 8.12 . . 1 . . . . . . . . 5011 1 670 . 1 1 120 120 TRP HE1 H 1 10.38 . . 1 . . . . . . . . 5011 1 671 . 1 1 120 120 TRP CZ3 C 13 121.3 . . 1 . . . . . . . . 5011 1 672 . 1 1 120 120 TRP HZ3 H 1 7.34 . . 1 . . . . . . . . 5011 1 673 . 1 1 120 120 TRP CZ2 C 13 114.2 . . 1 . . . . . . . . 5011 1 674 . 1 1 120 120 TRP HZ2 H 1 7.58 . . 1 . . . . . . . . 5011 1 675 . 1 1 120 120 TRP CH2 C 13 125.4 . . 1 . . . . . . . . 5011 1 676 . 1 1 120 120 TRP HH2 H 1 7.48 . . 1 . . . . . . . . 5011 1 677 . 1 1 121 121 SER N N 15 119.9 . . 1 . . . . . . . . 5011 1 678 . 1 1 121 121 SER H H 1 7.55 . . 1 . . . . . . . . 5011 1 679 . 1 1 121 121 SER HA H 1 4.39 . . 1 . . . . . . . . 5011 1 680 . 1 1 121 121 SER HB2 H 1 3.84 . . 2 . . . . . . . . 5011 1 681 . 1 1 121 121 SER HB3 H 1 3.50 . . 2 . . . . . . . . 5011 1 682 . 1 1 122 122 THR N N 15 112.7 . . 1 . . . . . . . . 5011 1 683 . 1 1 122 122 THR H H 1 8.36 . . 1 . . . . . . . . 5011 1 684 . 1 1 122 122 THR HA H 1 4.40 . . 1 . . . . . . . . 5011 1 685 . 1 1 122 122 THR HB H 1 4.55 . . 1 . . . . . . . . 5011 1 686 . 1 1 122 122 THR HG21 H 1 0.33 . . 1 . . . . . . . . 5011 1 687 . 1 1 122 122 THR HG22 H 1 0.33 . . 1 . . . . . . . . 5011 1 688 . 1 1 122 122 THR HG23 H 1 0.33 . . 1 . . . . . . . . 5011 1 689 . 1 1 123 123 ASP N N 15 125.2 . . 1 . . . . . . . . 5011 1 690 . 1 1 123 123 ASP H H 1 8.45 . . 1 . . . . . . . . 5011 1 691 . 1 1 123 123 ASP HA H 1 4.51 . . 1 . . . . . . . . 5011 1 692 . 1 1 123 123 ASP HB2 H 1 2.59 . . 2 . . . . . . . . 5011 1 693 . 1 1 123 123 ASP HB3 H 1 2.55 . . 2 . . . . . . . . 5011 1 694 . 1 1 124 124 GLY N N 15 111.1 . . 1 . . . . . . . . 5011 1 695 . 1 1 124 124 GLY H H 1 9.01 . . 1 . . . . . . . . 5011 1 696 . 1 1 124 124 GLY HA2 H 1 4.05 . . 2 . . . . . . . . 5011 1 697 . 1 1 124 124 GLY HA3 H 1 3.61 . . 2 . . . . . . . . 5011 1 698 . 1 1 125 125 TYR N N 15 116.8 . . 1 . . . . . . . . 5011 1 699 . 1 1 125 125 TYR H H 1 7.63 . . 1 . . . . . . . . 5011 1 700 . 1 1 125 125 TYR HA H 1 5.08 . . 1 . . . . . . . . 5011 1 701 . 1 1 125 125 TYR HB2 H 1 3.24 . . 2 . . . . . . . . 5011 1 702 . 1 1 125 125 TYR HB3 H 1 2.89 . . 2 . . . . . . . . 5011 1 703 . 1 1 126 126 ASP N N 15 124.3 . . 1 . . . . . . . . 5011 1 704 . 1 1 126 126 ASP H H 1 9.45 . . 1 . . . . . . . . 5011 1 705 . 1 1 126 126 ASP HA H 1 4.97 . . 1 . . . . . . . . 5011 1 706 . 1 1 126 126 ASP HB2 H 1 2.70 . . 2 . . . . . . . . 5011 1 707 . 1 1 126 126 ASP HB3 H 1 2.42 . . 2 . . . . . . . . 5011 1 708 . 1 1 127 127 PHE N N 15 117.0 . . 1 . . . . . . . . 5011 1 709 . 1 1 127 127 PHE H H 1 7.68 . . 1 . . . . . . . . 5011 1 710 . 1 1 127 127 PHE HA H 1 4.85 . . 1 . . . . . . . . 5011 1 711 . 1 1 127 127 PHE HB2 H 1 3.27 . . 2 . . . . . . . . 5011 1 712 . 1 1 127 127 PHE HB3 H 1 3.02 . . 2 . . . . . . . . 5011 1 713 . 1 1 127 127 PHE HD1 H 1 7.17 . . 1 . . . . . . . . 5011 1 714 . 1 1 127 127 PHE HD2 H 1 7.17 . . 1 . . . . . . . . 5011 1 715 . 1 1 128 128 ASN N N 15 118.0 . . 1 . . . . . . . . 5011 1 716 . 1 1 128 128 ASN H H 1 9.13 . . 1 . . . . . . . . 5011 1 717 . 1 1 128 128 ASN HA H 1 4.86 . . 1 . . . . . . . . 5011 1 718 . 1 1 128 128 ASN HB2 H 1 3.02 . . 2 . . . . . . . . 5011 1 719 . 1 1 128 128 ASN HB3 H 1 2.86 . . 2 . . . . . . . . 5011 1 720 . 1 1 128 128 ASN ND2 N 15 115.0 . . 1 . . . . . . . . 5011 1 721 . 1 1 128 128 ASN HD21 H 1 8.00 . . 2 . . . . . . . . 5011 1 722 . 1 1 128 128 ASN HD22 H 1 6.87 . . 2 . . . . . . . . 5011 1 723 . 1 1 129 129 ASP N N 15 118.7 . . 1 . . . . . . . . 5011 1 724 . 1 1 129 129 ASP H H 1 9.00 . . 1 . . . . . . . . 5011 1 725 . 1 1 129 129 ASP HA H 1 4.97 . . 1 . . . . . . . . 5011 1 726 . 1 1 129 129 ASP HB2 H 1 2.88 . . 2 . . . . . . . . 5011 1 727 . 1 1 129 129 ASP HB3 H 1 2.62 . . 2 . . . . . . . . 5011 1 728 . 1 1 130 130 SER N N 15 111.1 . . 1 . . . . . . . . 5011 1 729 . 1 1 130 130 SER H H 1 8.55 . . 1 . . . . . . . . 5011 1 730 . 1 1 130 130 SER HA H 1 4.67 . . 1 . . . . . . . . 5011 1 731 . 1 1 130 130 SER HB3 H 1 3.41 . . 2 . . . . . . . . 5011 1 732 . 1 1 130 130 SER HG H 1 6.18 . . 1 . . . . . . . . 5011 1 733 . 1 1 131 131 LYS N N 15 127.6 . . 1 . . . . . . . . 5011 1 734 . 1 1 131 131 LYS H H 1 9.18 . . 1 . . . . . . . . 5011 1 735 . 1 1 131 131 LYS HA H 1 4.46 . . 1 . . . . . . . . 5011 1 736 . 1 1 131 131 LYS HB2 H 1 2.03 . . 1 . . . . . . . . 5011 1 737 . 1 1 131 131 LYS HB3 H 1 2.03 . . 1 . . . . . . . . 5011 1 738 . 1 1 131 131 LYS HG2 H 1 1.46 . . 1 . . . . . . . . 5011 1 739 . 1 1 131 131 LYS HG3 H 1 1.46 . . 1 . . . . . . . . 5011 1 740 . 1 1 131 131 LYS HD2 H 1 1.57 . . 1 . . . . . . . . 5011 1 741 . 1 1 131 131 LYS HD3 H 1 1.57 . . 1 . . . . . . . . 5011 1 742 . 1 1 132 132 ALA N N 15 121.8 . . 1 . . . . . . . . 5011 1 743 . 1 1 132 132 ALA H H 1 9.22 . . 1 . . . . . . . . 5011 1 744 . 1 1 132 132 ALA HA H 1 4.11 . . 1 . . . . . . . . 5011 1 745 . 1 1 132 132 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 5011 1 746 . 1 1 132 132 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 5011 1 747 . 1 1 132 132 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 5011 1 748 . 1 1 133 133 LEU N N 15 119.0 . . 1 . . . . . . . . 5011 1 749 . 1 1 133 133 LEU H H 1 7.04 . . 1 . . . . . . . . 5011 1 750 . 1 1 133 133 LEU HA H 1 4.68 . . 1 . . . . . . . . 5011 1 751 . 1 1 133 133 LEU HB2 H 1 1.84 . . 2 . . . . . . . . 5011 1 752 . 1 1 133 133 LEU HB3 H 1 1.59 . . 2 . . . . . . . . 5011 1 753 . 1 1 133 133 LEU HG H 1 1.52 . . 1 . . . . . . . . 5011 1 754 . 1 1 133 133 LEU HD11 H 1 1.08 . . 2 . . . . . . . . 5011 1 755 . 1 1 133 133 LEU HD12 H 1 1.08 . . 2 . . . . . . . . 5011 1 756 . 1 1 133 133 LEU HD13 H 1 1.08 . . 2 . . . . . . . . 5011 1 757 . 1 1 133 133 LEU HD21 H 1 0.50 . . 2 . . . . . . . . 5011 1 758 . 1 1 133 133 LEU HD22 H 1 0.50 . . 2 . . . . . . . . 5011 1 759 . 1 1 133 133 LEU HD23 H 1 0.50 . . 2 . . . . . . . . 5011 1 760 . 1 1 134 134 ARG N N 15 124.9 . . 1 . . . . . . . . 5011 1 761 . 1 1 134 134 ARG H H 1 9.66 . . 1 . . . . . . . . 5011 1 762 . 1 1 134 134 ARG HA H 1 4.59 . . 1 . . . . . . . . 5011 1 763 . 1 1 134 134 ARG HB2 H 1 1.73 . . 2 . . . . . . . . 5011 1 764 . 1 1 134 134 ARG HB3 H 1 1.49 . . 2 . . . . . . . . 5011 1 765 . 1 1 134 134 ARG HG2 H 1 1.47 . . 1 . . . . . . . . 5011 1 766 . 1 1 134 134 ARG HG3 H 1 1.47 . . 1 . . . . . . . . 5011 1 767 . 1 1 134 134 ARG HD2 H 1 3.42 . . 2 . . . . . . . . 5011 1 768 . 1 1 134 134 ARG HD3 H 1 3.16 . . 2 . . . . . . . . 5011 1 769 . 1 1 134 134 ARG NE N 15 86.7 . . 1 . . . . . . . . 5011 1 770 . 1 1 134 134 ARG HE H 1 6.74 . . 1 . . . . . . . . 5011 1 771 . 1 1 135 135 ASN N N 15 118.5 . . 1 . . . . . . . . 5011 1 772 . 1 1 135 135 ASN H H 1 7.50 . . 1 . . . . . . . . 5011 1 773 . 1 1 135 135 ASN HA H 1 4.27 . . 1 . . . . . . . . 5011 1 774 . 1 1 135 135 ASN HB2 H 1 2.93 . . 2 . . . . . . . . 5011 1 775 . 1 1 135 135 ASN HB3 H 1 2.55 . . 2 . . . . . . . . 5011 1 776 . 1 1 135 135 ASN ND2 N 15 112.9 . . 1 . . . . . . . . 5011 1 777 . 1 1 135 135 ASN HD21 H 1 7.47 . . 2 . . . . . . . . 5011 1 778 . 1 1 135 135 ASN HD22 H 1 6.85 . . 2 . . . . . . . . 5011 1 779 . 1 1 136 136 GLY N N 15 102.9 . . 1 . . . . . . . . 5011 1 780 . 1 1 136 136 GLY H H 1 8.54 . . 1 . . . . . . . . 5011 1 781 . 1 1 136 136 GLY HA2 H 1 4.12 . . 2 . . . . . . . . 5011 1 782 . 1 1 136 136 GLY HA3 H 1 3.54 . . 2 . . . . . . . . 5011 1 783 . 1 1 137 137 LYS N N 15 118.5 . . 1 . . . . . . . . 5011 1 784 . 1 1 137 137 LYS H H 1 7.50 . . 1 . . . . . . . . 5011 1 785 . 1 1 137 137 LYS HA H 1 4.64 . . 1 . . . . . . . . 5011 1 786 . 1 1 137 137 LYS HB2 H 1 1.99 . . 2 . . . . . . . . 5011 1 787 . 1 1 137 137 LYS HB3 H 1 1.60 . . 2 . . . . . . . . 5011 1 788 . 1 1 138 138 PHE N N 15 118.3 . . 1 . . . . . . . . 5011 1 789 . 1 1 138 138 PHE H H 1 9.40 . . 1 . . . . . . . . 5011 1 790 . 1 1 138 138 PHE HA H 1 5.14 . . 1 . . . . . . . . 5011 1 791 . 1 1 138 138 PHE HB2 H 1 3.44 . . 2 . . . . . . . . 5011 1 792 . 1 1 138 138 PHE HB3 H 1 3.15 . . 2 . . . . . . . . 5011 1 793 . 1 1 139 139 VAL N N 15 113.7 . . 1 . . . . . . . . 5011 1 794 . 1 1 139 139 VAL H H 1 8.40 . . 1 . . . . . . . . 5011 1 795 . 1 1 139 139 VAL HA H 1 3.84 . . 1 . . . . . . . . 5011 1 796 . 1 1 139 139 VAL HB H 1 1.85 . . 1 . . . . . . . . 5011 1 797 . 1 1 139 139 VAL HG11 H 1 0.68 . . 2 . . . . . . . . 5011 1 798 . 1 1 139 139 VAL HG12 H 1 0.68 . . 2 . . . . . . . . 5011 1 799 . 1 1 139 139 VAL HG13 H 1 0.68 . . 2 . . . . . . . . 5011 1 800 . 1 1 139 139 VAL HG21 H 1 0.51 . . 2 . . . . . . . . 5011 1 801 . 1 1 139 139 VAL HG22 H 1 0.51 . . 2 . . . . . . . . 5011 1 802 . 1 1 139 139 VAL HG23 H 1 0.51 . . 2 . . . . . . . . 5011 1 803 . 1 1 140 140 GLY N N 15 101.6 . . 1 . . . . . . . . 5011 1 804 . 1 1 140 140 GLY H H 1 6.42 . . 1 . . . . . . . . 5011 1 805 . 1 1 140 140 GLY HA2 H 1 4.55 . . 1 . . . . . . . . 5011 1 806 . 1 1 140 140 GLY HA3 H 1 4.55 . . 1 . . . . . . . . 5011 1 807 . 1 1 141 141 LEU N N 15 117.4 . . 1 . . . . . . . . 5011 1 808 . 1 1 141 141 LEU H H 1 6.84 . . 1 . . . . . . . . 5011 1 809 . 1 1 141 141 LEU HA H 1 2.43 . . 1 . . . . . . . . 5011 1 810 . 1 1 141 141 LEU HB2 H 1 -0.15 . . 2 . . . . . . . . 5011 1 811 . 1 1 141 141 LEU HB3 H 1 -1.79 . . 2 . . . . . . . . 5011 1 812 . 1 1 141 141 LEU HG H 1 0.38 . . 1 . . . . . . . . 5011 1 813 . 1 1 141 141 LEU HD11 H 1 -0.03 . . 2 . . . . . . . . 5011 1 814 . 1 1 141 141 LEU HD12 H 1 -0.03 . . 2 . . . . . . . . 5011 1 815 . 1 1 141 141 LEU HD13 H 1 -0.03 . . 2 . . . . . . . . 5011 1 816 . 1 1 141 141 LEU HD21 H 1 -0.90 . . 2 . . . . . . . . 5011 1 817 . 1 1 141 141 LEU HD22 H 1 -0.90 . . 2 . . . . . . . . 5011 1 818 . 1 1 141 141 LEU HD23 H 1 -0.90 . . 2 . . . . . . . . 5011 1 819 . 1 1 142 142 ALA H H 1 5.20 . . 1 . . . . . . . . 5011 1 820 . 1 1 142 142 ALA HA H 1 4.02 . . 1 . . . . . . . . 5011 1 821 . 1 1 142 142 ALA HB1 H 1 0.18 . . 1 . . . . . . . . 5011 1 822 . 1 1 142 142 ALA HB2 H 1 0.18 . . 1 . . . . . . . . 5011 1 823 . 1 1 142 142 ALA HB3 H 1 0.18 . . 1 . . . . . . . . 5011 1 824 . 1 1 143 143 LEU N N 15 125.1 . . 1 . . . . . . . . 5011 1 825 . 1 1 143 143 LEU H H 1 8.54 . . 1 . . . . . . . . 5011 1 826 . 1 1 143 143 LEU HA H 1 4.39 . . 1 . . . . . . . . 5011 1 827 . 1 1 143 143 LEU HB2 H 1 1.95 . . 2 . . . . . . . . 5011 1 828 . 1 1 143 143 LEU HB3 H 1 1.31 . . 2 . . . . . . . . 5011 1 829 . 1 1 143 143 LEU HG H 1 1.14 . . 1 . . . . . . . . 5011 1 830 . 1 1 143 143 LEU HD11 H 1 0.83 . . 2 . . . . . . . . 5011 1 831 . 1 1 143 143 LEU HD12 H 1 0.83 . . 2 . . . . . . . . 5011 1 832 . 1 1 143 143 LEU HD13 H 1 0.83 . . 2 . . . . . . . . 5011 1 833 . 1 1 143 143 LEU HD21 H 1 0.69 . . 2 . . . . . . . . 5011 1 834 . 1 1 143 143 LEU HD22 H 1 0.69 . . 2 . . . . . . . . 5011 1 835 . 1 1 143 143 LEU HD23 H 1 0.69 . . 2 . . . . . . . . 5011 1 836 . 1 1 144 144 ASP N N 15 119.3 . . 1 . . . . . . . . 5011 1 837 . 1 1 144 144 ASP H H 1 8.35 . . 1 . . . . . . . . 5011 1 838 . 1 1 144 144 ASP HA H 1 5.39 . . 1 . . . . . . . . 5011 1 839 . 1 1 144 144 ASP HB2 H 1 2.84 . . 2 . . . . . . . . 5011 1 840 . 1 1 144 144 ASP HB3 H 1 2.35 . . 2 . . . . . . . . 5011 1 841 . 1 1 145 145 GLU N N 15 125.0 . . 1 . . . . . . . . 5011 1 842 . 1 1 145 145 GLU H H 1 8.85 . . 1 . . . . . . . . 5011 1 843 . 1 1 145 145 GLU HA H 1 4.21 . . 1 . . . . . . . . 5011 1 844 . 1 1 145 145 GLU HB2 H 1 2.05 . . 2 . . . . . . . . 5011 1 845 . 1 1 145 145 GLU HB3 H 1 1.94 . . 2 . . . . . . . . 5011 1 846 . 1 1 145 145 GLU HG2 H 1 2.23 . . 1 . . . . . . . . 5011 1 847 . 1 1 145 145 GLU HG3 H 1 2.23 . . 1 . . . . . . . . 5011 1 848 . 1 1 146 146 ASP N N 15 121.1 . . 1 . . . . . . . . 5011 1 849 . 1 1 146 146 ASP H H 1 8.61 . . 1 . . . . . . . . 5011 1 850 . 1 1 146 146 ASP HA H 1 4.58 . . 1 . . . . . . . . 5011 1 851 . 1 1 146 146 ASP HB2 H 1 2.77 . . 2 . . . . . . . . 5011 1 852 . 1 1 146 146 ASP HB3 H 1 2.61 . . 2 . . . . . . . . 5011 1 853 . 1 1 147 147 ASN N N 15 113.5 . . 1 . . . . . . . . 5011 1 854 . 1 1 147 147 ASN H H 1 8.93 . . 1 . . . . . . . . 5011 1 855 . 1 1 147 147 ASN HA H 1 4.97 . . 1 . . . . . . . . 5011 1 856 . 1 1 147 147 ASN HB2 H 1 2.88 . . 2 . . . . . . . . 5011 1 857 . 1 1 147 147 ASN HB3 H 1 2.43 . . 2 . . . . . . . . 5011 1 858 . 1 1 147 147 ASN ND2 N 15 124.4 . . 1 . . . . . . . . 5011 1 859 . 1 1 147 147 ASN HD21 H 1 10.10 . . 2 . . . . . . . . 5011 1 860 . 1 1 147 147 ASN HD22 H 1 7.80 . . 2 . . . . . . . . 5011 1 861 . 1 1 148 148 GLN N N 15 117.1 . . 1 . . . . . . . . 5011 1 862 . 1 1 148 148 GLN H H 1 7.58 . . 1 . . . . . . . . 5011 1 863 . 1 1 148 148 GLN HA H 1 5.07 . . 1 . . . . . . . . 5011 1 864 . 1 1 148 148 GLN HB2 H 1 2.33 . . 2 . . . . . . . . 5011 1 865 . 1 1 148 148 GLN HB3 H 1 2.17 . . 2 . . . . . . . . 5011 1 866 . 1 1 148 148 GLN HG2 H 1 2.55 . . 2 . . . . . . . . 5011 1 867 . 1 1 148 148 GLN HG3 H 1 1.94 . . 2 . . . . . . . . 5011 1 868 . 1 1 148 148 GLN NE2 N 15 115.9 . . 1 . . . . . . . . 5011 1 869 . 1 1 148 148 GLN HE21 H 1 7.03 . . 2 . . . . . . . . 5011 1 870 . 1 1 148 148 GLN HE22 H 1 7.87 . . 2 . . . . . . . . 5011 1 871 . 1 1 149 149 SER N N 15 119.0 . . 1 . . . . . . . . 5011 1 872 . 1 1 149 149 SER H H 1 8.73 . . 1 . . . . . . . . 5011 1 873 . 1 1 149 149 SER HA H 1 4.33 . . 1 . . . . . . . . 5011 1 874 . 1 1 149 149 SER HB2 H 1 4.15 . . 1 . . . . . . . . 5011 1 875 . 1 1 149 149 SER HB3 H 1 4.15 . . 1 . . . . . . . . 5011 1 876 . 1 1 150 150 ASP N N 15 119.0 . . 1 . . . . . . . . 5011 1 877 . 1 1 150 150 ASP H H 1 9.21 . . 1 . . . . . . . . 5011 1 878 . 1 1 150 150 ASP HA H 1 4.46 . . 1 . . . . . . . . 5011 1 879 . 1 1 150 150 ASP HB2 H 1 2.71 . . 1 . . . . . . . . 5011 1 880 . 1 1 150 150 ASP HB3 H 1 2.71 . . 1 . . . . . . . . 5011 1 881 . 1 1 151 151 LEU N N 15 117.6 . . 1 . . . . . . . . 5011 1 882 . 1 1 151 151 LEU H H 1 7.59 . . 1 . . . . . . . . 5011 1 883 . 1 1 151 151 LEU HA H 1 4.63 . . 1 . . . . . . . . 5011 1 884 . 1 1 151 151 LEU HB2 H 1 1.69 . . 2 . . . . . . . . 5011 1 885 . 1 1 151 151 LEU HB3 H 1 1.60 . . 2 . . . . . . . . 5011 1 886 . 1 1 151 151 LEU HG H 1 1.60 . . 1 . . . . . . . . 5011 1 887 . 1 1 151 151 LEU HD11 H 1 0.81 . . 1 . . . . . . . . 5011 1 888 . 1 1 151 151 LEU HD12 H 1 0.81 . . 1 . . . . . . . . 5011 1 889 . 1 1 151 151 LEU HD13 H 1 0.81 . . 1 . . . . . . . . 5011 1 890 . 1 1 151 151 LEU HD21 H 1 0.81 . . 1 . . . . . . . . 5011 1 891 . 1 1 151 151 LEU HD22 H 1 0.81 . . 1 . . . . . . . . 5011 1 892 . 1 1 151 151 LEU HD23 H 1 0.81 . . 1 . . . . . . . . 5011 1 893 . 1 1 152 152 THR N N 15 118.3 . . 1 . . . . . . . . 5011 1 894 . 1 1 152 152 THR H H 1 7.35 . . 1 . . . . . . . . 5011 1 895 . 1 1 152 152 THR HA H 1 4.31 . . 1 . . . . . . . . 5011 1 896 . 1 1 152 152 THR HB H 1 3.60 . . 1 . . . . . . . . 5011 1 897 . 1 1 152 152 THR HG21 H 1 1.16 . . 1 . . . . . . . . 5011 1 898 . 1 1 152 152 THR HG22 H 1 1.16 . . 1 . . . . . . . . 5011 1 899 . 1 1 152 152 THR HG23 H 1 1.16 . . 1 . . . . . . . . 5011 1 900 . 1 1 153 153 ASP N N 15 121.5 . . 1 . . . . . . . . 5011 1 901 . 1 1 153 153 ASP H H 1 8.84 . . 1 . . . . . . . . 5011 1 902 . 1 1 153 153 ASP HA H 1 4.19 . . 1 . . . . . . . . 5011 1 903 . 1 1 153 153 ASP HB2 H 1 2.64 . . 2 . . . . . . . . 5011 1 904 . 1 1 153 153 ASP HB3 H 1 2.58 . . 2 . . . . . . . . 5011 1 905 . 1 1 154 154 ASP N N 15 118.7 . . 1 . . . . . . . . 5011 1 906 . 1 1 154 154 ASP H H 1 8.63 . . 1 . . . . . . . . 5011 1 907 . 1 1 154 154 ASP HA H 1 4.42 . . 1 . . . . . . . . 5011 1 908 . 1 1 154 154 ASP HB2 H 1 2.72 . . 1 . . . . . . . . 5011 1 909 . 1 1 154 154 ASP HB3 H 1 2.72 . . 1 . . . . . . . . 5011 1 910 . 1 1 155 155 ARG N N 15 120.7 . . 1 . . . . . . . . 5011 1 911 . 1 1 155 155 ARG H H 1 8.24 . . 1 . . . . . . . . 5011 1 912 . 1 1 155 155 ARG HA H 1 4.28 . . 1 . . . . . . . . 5011 1 913 . 1 1 155 155 ARG HB2 H 1 2.37 . . 2 . . . . . . . . 5011 1 914 . 1 1 155 155 ARG HB3 H 1 1.70 . . 2 . . . . . . . . 5011 1 915 . 1 1 155 155 ARG HG2 H 1 1.95 . . 1 . . . . . . . . 5011 1 916 . 1 1 155 155 ARG HG3 H 1 1.95 . . 1 . . . . . . . . 5011 1 917 . 1 1 155 155 ARG NE N 15 85.5 . . 1 . . . . . . . . 5011 1 918 . 1 1 155 155 ARG HE H 1 7.63 . . 1 . . . . . . . . 5011 1 919 . 1 1 156 156 ILE N N 15 117.3 . . 1 . . . . . . . . 5011 1 920 . 1 1 156 156 ILE H H 1 8.51 . . 1 . . . . . . . . 5011 1 921 . 1 1 156 156 ILE HA H 1 3.37 . . 1 . . . . . . . . 5011 1 922 . 1 1 156 156 ILE HB H 1 1.88 . . 1 . . . . . . . . 5011 1 923 . 1 1 156 156 ILE HG21 H 1 0.65 . . 1 . . . . . . . . 5011 1 924 . 1 1 156 156 ILE HG22 H 1 0.65 . . 1 . . . . . . . . 5011 1 925 . 1 1 156 156 ILE HG23 H 1 0.65 . . 1 . . . . . . . . 5011 1 926 . 1 1 156 156 ILE HG12 H 1 0.73 . . 2 . . . . . . . . 5011 1 927 . 1 1 156 156 ILE HG13 H 1 0.41 . . 2 . . . . . . . . 5011 1 928 . 1 1 157 157 LYS N N 15 117.8 . . 1 . . . . . . . . 5011 1 929 . 1 1 157 157 LYS H H 1 8.09 . . 1 . . . . . . . . 5011 1 930 . 1 1 157 157 LYS HA H 1 3.62 . . 1 . . . . . . . . 5011 1 931 . 1 1 157 157 LYS HB2 H 1 1.88 . . 1 . . . . . . . . 5011 1 932 . 1 1 157 157 LYS HB3 H 1 1.88 . . 1 . . . . . . . . 5011 1 933 . 1 1 157 157 LYS HG2 H 1 1.33 . . 1 . . . . . . . . 5011 1 934 . 1 1 157 157 LYS HG3 H 1 1.33 . . 1 . . . . . . . . 5011 1 935 . 1 1 157 157 LYS HD2 H 1 1.59 . . 1 . . . . . . . . 5011 1 936 . 1 1 157 157 LYS HD3 H 1 1.59 . . 1 . . . . . . . . 5011 1 937 . 1 1 158 158 SER N N 15 115.4 . . 1 . . . . . . . . 5011 1 938 . 1 1 158 158 SER H H 1 8.33 . . 1 . . . . . . . . 5011 1 939 . 1 1 158 158 SER HA H 1 4.41 . . 1 . . . . . . . . 5011 1 940 . 1 1 159 159 TRP N N 15 126.4 . . 1 . . . . . . . . 5011 1 941 . 1 1 159 159 TRP H H 1 8.98 . . 1 . . . . . . . . 5011 1 942 . 1 1 159 159 TRP HA H 1 4.54 . . 1 . . . . . . . . 5011 1 943 . 1 1 159 159 TRP HB2 H 1 3.02 . . 2 . . . . . . . . 5011 1 944 . 1 1 159 159 TRP HB3 H 1 2.71 . . 2 . . . . . . . . 5011 1 945 . 1 1 159 159 TRP NE1 N 15 132.2 . . 1 . . . . . . . . 5011 1 946 . 1 1 159 159 TRP CD1 C 13 127.2 . . 1 . . . . . . . . 5011 1 947 . 1 1 159 159 TRP HD1 H 1 7.47 . . 1 . . . . . . . . 5011 1 948 . 1 1 159 159 TRP CE3 C 13 119.3 . . 1 . . . . . . . . 5011 1 949 . 1 1 159 159 TRP HE3 H 1 6.92 . . 1 . . . . . . . . 5011 1 950 . 1 1 159 159 TRP HE1 H 1 11.22 . . 1 . . . . . . . . 5011 1 951 . 1 1 159 159 TRP CZ3 C 13 120.0 . . 1 . . . . . . . . 5011 1 952 . 1 1 159 159 TRP HZ3 H 1 6.56 . . 1 . . . . . . . . 5011 1 953 . 1 1 159 159 TRP CZ2 C 13 117.3 . . 1 . . . . . . . . 5011 1 954 . 1 1 159 159 TRP HZ2 H 1 8.28 . . 1 . . . . . . . . 5011 1 955 . 1 1 159 159 TRP CH2 C 13 124.2 . . 1 . . . . . . . . 5011 1 956 . 1 1 159 159 TRP HH2 H 1 6.79 . . 1 . . . . . . . . 5011 1 957 . 1 1 160 160 VAL N N 15 117.6 . . 1 . . . . . . . . 5011 1 958 . 1 1 160 160 VAL H H 1 9.02 . . 1 . . . . . . . . 5011 1 959 . 1 1 160 160 VAL HA H 1 2.95 . . 1 . . . . . . . . 5011 1 960 . 1 1 160 160 VAL HB H 1 1.87 . . 1 . . . . . . . . 5011 1 961 . 1 1 160 160 VAL HG11 H 1 0.88 . . 2 . . . . . . . . 5011 1 962 . 1 1 160 160 VAL HG12 H 1 0.88 . . 2 . . . . . . . . 5011 1 963 . 1 1 160 160 VAL HG13 H 1 0.88 . . 2 . . . . . . . . 5011 1 964 . 1 1 160 160 VAL HG21 H 1 -0.19 . . 2 . . . . . . . . 5011 1 965 . 1 1 160 160 VAL HG22 H 1 -0.19 . . 2 . . . . . . . . 5011 1 966 . 1 1 160 160 VAL HG23 H 1 -0.19 . . 2 . . . . . . . . 5011 1 967 . 1 1 161 161 ALA N N 15 120.5 . . 1 . . . . . . . . 5011 1 968 . 1 1 161 161 ALA H H 1 7.34 . . 1 . . . . . . . . 5011 1 969 . 1 1 161 161 ALA HA H 1 3.91 . . 1 . . . . . . . . 5011 1 970 . 1 1 161 161 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 5011 1 971 . 1 1 161 161 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 5011 1 972 . 1 1 161 161 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 5011 1 973 . 1 1 162 162 GLN N N 15 120.5 . . 1 . . . . . . . . 5011 1 974 . 1 1 162 162 GLN H H 1 7.66 . . 1 . . . . . . . . 5011 1 975 . 1 1 162 162 GLN HA H 1 4.13 . . 1 . . . . . . . . 5011 1 976 . 1 1 162 162 GLN HB2 H 1 2.35 . . 1 . . . . . . . . 5011 1 977 . 1 1 162 162 GLN HB3 H 1 2.35 . . 1 . . . . . . . . 5011 1 978 . 1 1 162 162 GLN HG2 H 1 2.49 . . 1 . . . . . . . . 5011 1 979 . 1 1 162 162 GLN HG3 H 1 2.49 . . 1 . . . . . . . . 5011 1 980 . 1 1 162 162 GLN NE2 N 15 109.7 . . 1 . . . . . . . . 5011 1 981 . 1 1 162 162 GLN HE21 H 1 7.83 . . 2 . . . . . . . . 5011 1 982 . 1 1 162 162 GLN HE22 H 1 7.58 . . 2 . . . . . . . . 5011 1 983 . 1 1 163 163 LEU N N 15 120.5 . . 1 . . . . . . . . 5011 1 984 . 1 1 163 163 LEU H H 1 8.78 . . 1 . . . . . . . . 5011 1 985 . 1 1 163 163 LEU HA H 1 3.44 . . 1 . . . . . . . . 5011 1 986 . 1 1 163 163 LEU HB2 H 1 1.62 . . 2 . . . . . . . . 5011 1 987 . 1 1 163 163 LEU HB3 H 1 0.87 . . 2 . . . . . . . . 5011 1 988 . 1 1 163 163 LEU HG H 1 0.61 . . 1 . . . . . . . . 5011 1 989 . 1 1 163 163 LEU HD11 H 1 -0.16 . . 2 . . . . . . . . 5011 1 990 . 1 1 163 163 LEU HD12 H 1 -0.16 . . 2 . . . . . . . . 5011 1 991 . 1 1 163 163 LEU HD13 H 1 -0.16 . . 2 . . . . . . . . 5011 1 992 . 1 1 163 163 LEU HD21 H 1 -0.54 . . 2 . . . . . . . . 5011 1 993 . 1 1 163 163 LEU HD22 H 1 -0.54 . . 2 . . . . . . . . 5011 1 994 . 1 1 163 163 LEU HD23 H 1 -0.54 . . 2 . . . . . . . . 5011 1 995 . 1 1 164 164 LYS N N 15 119.0 . . 1 . . . . . . . . 5011 1 996 . 1 1 164 164 LYS H H 1 8.71 . . 1 . . . . . . . . 5011 1 997 . 1 1 164 164 LYS HA H 1 3.90 . . 1 . . . . . . . . 5011 1 998 . 1 1 164 164 LYS HB2 H 1 1.95 . . 2 . . . . . . . . 5011 1 999 . 1 1 164 164 LYS HB3 H 1 1.84 . . 2 . . . . . . . . 5011 1 1000 . 1 1 164 164 LYS HG2 H 1 1.56 . . 2 . . . . . . . . 5011 1 1001 . 1 1 164 164 LYS HG3 H 1 1.27 . . 2 . . . . . . . . 5011 1 1002 . 1 1 164 164 LYS HD2 H 1 1.63 . . 1 . . . . . . . . 5011 1 1003 . 1 1 164 164 LYS HD3 H 1 1.63 . . 1 . . . . . . . . 5011 1 1004 . 1 1 165 165 SER N N 15 111.4 . . 1 . . . . . . . . 5011 1 1005 . 1 1 165 165 SER H H 1 7.07 . . 1 . . . . . . . . 5011 1 1006 . 1 1 165 165 SER HA H 1 4.42 . . 1 . . . . . . . . 5011 1 1007 . 1 1 165 165 SER HB2 H 1 4.11 . . 2 . . . . . . . . 5011 1 1008 . 1 1 165 165 SER HB3 H 1 4.06 . . 2 . . . . . . . . 5011 1 1009 . 1 1 166 166 GLU N N 15 122.0 . . 1 . . . . . . . . 5011 1 1010 . 1 1 166 166 GLU H H 1 8.35 . . 1 . . . . . . . . 5011 1 1011 . 1 1 166 166 GLU HA H 1 4.17 . . 1 . . . . . . . . 5011 1 1012 . 1 1 166 166 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 5011 1 1013 . 1 1 166 166 GLU HB3 H 1 1.64 . . 2 . . . . . . . . 5011 1 1014 . 1 1 166 166 GLU HG2 H 1 2.54 . . 2 . . . . . . . . 5011 1 1015 . 1 1 166 166 GLU HG3 H 1 2.26 . . 2 . . . . . . . . 5011 1 1016 . 1 1 167 167 PHE N N 15 116.2 . . 1 . . . . . . . . 5011 1 1017 . 1 1 167 167 PHE H H 1 9.21 . . 1 . . . . . . . . 5011 1 1018 . 1 1 167 167 PHE HA H 1 4.70 . . 1 . . . . . . . . 5011 1 1019 . 1 1 167 167 PHE HB2 H 1 2.87 . . 2 . . . . . . . . 5011 1 1020 . 1 1 167 167 PHE HB3 H 1 2.73 . . 2 . . . . . . . . 5011 1 1021 . 1 1 167 167 PHE HD1 H 1 6.87 . . 1 . . . . . . . . 5011 1 1022 . 1 1 167 167 PHE HD2 H 1 6.87 . . 1 . . . . . . . . 5011 1 1023 . 1 1 167 167 PHE HE1 H 1 7.06 . . 1 . . . . . . . . 5011 1 1024 . 1 1 167 167 PHE HE2 H 1 7.06 . . 1 . . . . . . . . 5011 1 1025 . 1 1 168 168 GLY N N 15 107.5 . . 1 . . . . . . . . 5011 1 1026 . 1 1 168 168 GLY H H 1 7.52 . . 1 . . . . . . . . 5011 1 1027 . 1 1 168 168 GLY HA2 H 1 3.94 . . 1 . . . . . . . . 5011 1 1028 . 1 1 168 168 GLY HA3 H 1 3.94 . . 1 . . . . . . . . 5011 1 1029 . 1 1 169 169 LEU N N 15 125.6 . . 1 . . . . . . . . 5011 1 1030 . 1 1 169 169 LEU H H 1 8.01 . . 1 . . . . . . . . 5011 1 1031 . 1 1 169 169 LEU HA H 1 4.14 . . 1 . . . . . . . . 5011 1 1032 . 1 1 169 169 LEU HB2 H 1 1.74 . . 2 . . . . . . . . 5011 1 1033 . 1 1 169 169 LEU HB3 H 1 1.61 . . 2 . . . . . . . . 5011 1 1034 . 1 1 169 169 LEU HG H 1 1.57 . . 1 . . . . . . . . 5011 1 1035 . 1 1 169 169 LEU HD11 H 1 0.88 . . 2 . . . . . . . . 5011 1 1036 . 1 1 169 169 LEU HD12 H 1 0.88 . . 2 . . . . . . . . 5011 1 1037 . 1 1 169 169 LEU HD13 H 1 0.88 . . 2 . . . . . . . . 5011 1 1038 . 1 1 169 169 LEU HD21 H 1 0.69 . . 2 . . . . . . . . 5011 1 1039 . 1 1 169 169 LEU HD22 H 1 0.69 . . 2 . . . . . . . . 5011 1 1040 . 1 1 169 169 LEU HD23 H 1 0.69 . . 2 . . . . . . . . 5011 1 stop_ save_