data_5861 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5861 _Entry.Title ; Backbone resonance assignments of GTPase domain of E.coli MnmE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-07 _Entry.Accession_date 2003-07-07 _Entry.Last_release_date 2004-02-11 _Entry.Original_release_date 2004-02-11 _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 Daniel Monleon . . . 5861 2 Lucia Yim . . . 5861 3 Marta Martinez-Vicente . . . 5861 4 M. Armengod . Eugenia . 5861 5 Bernardo Celda . . . 5861 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5861 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 329 5861 '13C chemical shifts' 462 5861 '15N chemical shifts' 159 5861 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 . . 2004-02-11 2003-07-07 original author . 5861 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5861 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14752268 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone 1H, 13C and 15N resonance assignments for the 18.7 kDa GTPase domain of Escherichia coli MnmE protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 307 _Citation.Page_last 308 _Citation.Year 2004 _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 Daniel Monleon . . . 5861 1 2 Lucia Yim . . . 5861 1 3 Marta Martinez-Vicente . . . 5861 1 4 M. Armengod . Eugenia . 5861 1 5 Bernardo Celda . . . 5861 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Mnme _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Mnme _Assembly.Entry_ID 5861 _Assembly.ID 1 _Assembly.Name 'gtpase domain MnmE' _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 'not present' _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 5861 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 'gtpase domain MnmE' 1 $MnmE . . . native . . . . . 5861 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 . swissprot p25522 . . . . . 'only a domain' 5861 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'gtpase domain MnmE' system 5861 1 'gdomain mnme' abbreviation 5861 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MnmE _Entity.Sf_category entity _Entity.Sf_framecode MnmE _Entity.Entry_ID 5861 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'gtpase domain mnme' _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 ; GSLLREGMKVVIAGRPNAGK SSLLNALAGREAAIVTDIAG TTRDVLREHIHIDGMPLHII DTAGLREASDEVERIGIERA WQEIEQADRVLFMVDGTTTD AVDPAEIWPEFIARLPAKLP ITVVRNKADITGETLGMSEV NGHALIRLSARTGEGVDVLR NHLKQSMGIHRD ; _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 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 PDB 1RFL . "Nmr Data Driven Structural Model Of G-Domain Of Mnme Protein" . . . . . 100.00 172 100.00 100.00 3.04e-117 . . . . 5861 1 2 no PDB 2GJ9 . "Structure Of The Mnme G-Domain In Complex With GdpAlf4-, Mg2+ And Rb+" . . . . . 94.77 172 99.39 99.39 1.10e-109 . . . . 5861 1 3 no PDB 2GJA . "Structure Of The Mnme G-Domain In Complex With GdpAlf4-, Mg2+ And Nh4+" . . . . . 94.77 172 99.39 99.39 1.10e-109 . . . . 5861 1 4 no DBJ BAB38064 . "GTP-binding protein in thiophene and furan oxidation [Escherichia coli O157:H7 str. Sakai]" . . . . . 98.26 454 98.82 99.41 1.11e-110 . . . . 5861 1 5 no DBJ BAE77587 . "GTPase [Escherichia coli str. K-12 substr. W3110]" . . . . . 98.26 454 99.41 99.41 4.33e-111 . . . . 5861 1 6 no DBJ BAG79516 . "GTP-binding protein [Escherichia coli SE11]" . . . . . 98.26 454 99.41 99.41 4.33e-111 . . . . 5861 1 7 no DBJ BAI28034 . "GTPase TrmE [Escherichia coli O26:H11 str. 11368]" . . . . . 98.26 454 99.41 99.41 4.06e-111 . . . . 5861 1 8 no DBJ BAI33153 . "GTPase TrmE [Escherichia coli O103:H2 str. 12009]" . . . . . 98.26 454 99.41 99.41 4.38e-111 . . . . 5861 1 9 no EMBL CAP78166 . "tRNA modification GTPase trmE [Escherichia coli LF82]" . . . . . 98.26 454 99.41 99.41 4.19e-111 . . . . 5861 1 10 no EMBL CAQ34051 . "GTP-binding protein with a role in modification of tRNA, subunit of complex involved in modification of tRNA [Escherichia coli " . . . . . 98.26 454 98.82 99.41 2.16e-110 . . . . 5861 1 11 no EMBL CAQ91437 . "GTPase [Escherichia fergusonii ATCC 35469]" . . . . . 98.26 454 99.41 99.41 4.19e-111 . . . . 5861 1 12 no EMBL CAR00681 . "GTPase [Escherichia coli IAI1]" . . . . . 98.26 454 99.41 99.41 4.33e-111 . . . . 5861 1 13 no EMBL CAR05336 . "GTPase [Escherichia coli S88]" . . . . . 98.26 454 99.41 99.41 3.93e-111 . . . . 5861 1 14 no GB AAA62057 . "50 kD protein [Escherichia coli]" . . . . . 98.26 454 98.22 98.22 7.38e-109 . . . . 5861 1 15 no GB AAC76729 . "tRNA U34 5-methylaminomethyl-2-thiouridine modification GTPase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 98.26 454 99.41 99.41 4.33e-111 . . . . 5861 1 16 no GB AAG58903 . "GTP-binding protein in thiophene and furan oxidation [Escherichia coli O157:H7 str. EDL933]" . . . . . 98.26 454 98.82 99.41 1.01e-110 . . . . 5861 1 17 no GB AAN45201 . "GTP-binding protein in thiophene and furan oxidation [Shigella flexneri 2a str. 301]" . . . . . 98.26 454 99.41 99.41 3.89e-111 . . . . 5861 1 18 no GB AAN83061 . "Probable tRNA modification GTPase trmE [Escherichia coli CFT073]" . . . . . 98.26 454 99.41 99.41 3.93e-111 . . . . 5861 1 19 no REF NP_290339 . "tRNA modification GTPase TrmE [Escherichia coli O157:H7 str. EDL933]" . . . . . 98.26 454 98.82 99.41 1.01e-110 . . . . 5861 1 20 no REF NP_312668 . "tRNA modification GTPase TrmE [Escherichia coli O157:H7 str. Sakai]" . . . . . 98.26 454 98.82 99.41 1.11e-110 . . . . 5861 1 21 no REF NP_418162 . "tRNA U34 5-methylaminomethyl-2-thiouridine modification GTPase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 98.26 454 99.41 99.41 4.33e-111 . . . . 5861 1 22 no REF NP_709494 . "tRNA modification GTPase TrmE [Shigella flexneri 2a str. 301]" . . . . . 98.26 454 99.41 99.41 3.89e-111 . . . . 5861 1 23 no REF NP_756487 . "tRNA modification GTPase TrmE [Escherichia coli CFT073]" . . . . . 98.26 454 99.41 99.41 3.93e-111 . . . . 5861 1 24 no SP A1AHP0 . "RecName: Full=tRNA modification GTPase MnmE [Escherichia coli APEC O1]" . . . . . 98.26 454 99.41 99.41 3.93e-111 . . . . 5861 1 25 no SP A7ZTR2 . "RecName: Full=tRNA modification GTPase MnmE [Escherichia coli E24377A]" . . . . . 98.26 454 98.82 99.41 2.00e-110 . . . . 5861 1 26 no SP A8A6G8 . "RecName: Full=tRNA modification GTPase MnmE [Escherichia coli HS]" . . . . . 98.26 454 98.82 99.41 2.16e-110 . . . . 5861 1 27 no SP B1IX32 . "RecName: Full=tRNA modification GTPase MnmE [Escherichia coli ATCC 8739]" . . . . . 98.26 454 99.41 99.41 4.33e-111 . . . . 5861 1 28 no SP B1LL33 . "RecName: Full=tRNA modification GTPase MnmE [Escherichia coli SMS-3-5]" . . . . . 98.26 454 99.41 99.41 4.19e-111 . . . . 5861 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'gtpase domain mnme' common 5861 1 gdomain abbreviation 5861 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 . GLY . 5861 1 2 . SER . 5861 1 3 . LEU . 5861 1 4 . LEU . 5861 1 5 . ARG . 5861 1 6 . GLU . 5861 1 7 . GLY . 5861 1 8 . MET . 5861 1 9 . LYS . 5861 1 10 . VAL . 5861 1 11 . VAL . 5861 1 12 . ILE . 5861 1 13 . ALA . 5861 1 14 . GLY . 5861 1 15 . ARG . 5861 1 16 . PRO . 5861 1 17 . ASN . 5861 1 18 . ALA . 5861 1 19 . GLY . 5861 1 20 . LYS . 5861 1 21 . SER . 5861 1 22 . SER . 5861 1 23 . LEU . 5861 1 24 . LEU . 5861 1 25 . ASN . 5861 1 26 . ALA . 5861 1 27 . LEU . 5861 1 28 . ALA . 5861 1 29 . GLY . 5861 1 30 . ARG . 5861 1 31 . GLU . 5861 1 32 . ALA . 5861 1 33 . ALA . 5861 1 34 . ILE . 5861 1 35 . VAL . 5861 1 36 . THR . 5861 1 37 . ASP . 5861 1 38 . ILE . 5861 1 39 . ALA . 5861 1 40 . GLY . 5861 1 41 . THR . 5861 1 42 . THR . 5861 1 43 . ARG . 5861 1 44 . ASP . 5861 1 45 . VAL . 5861 1 46 . LEU . 5861 1 47 . ARG . 5861 1 48 . GLU . 5861 1 49 . HIS . 5861 1 50 . ILE . 5861 1 51 . HIS . 5861 1 52 . ILE . 5861 1 53 . ASP . 5861 1 54 . GLY . 5861 1 55 . MET . 5861 1 56 . PRO . 5861 1 57 . LEU . 5861 1 58 . HIS . 5861 1 59 . ILE . 5861 1 60 . ILE . 5861 1 61 . ASP . 5861 1 62 . THR . 5861 1 63 . ALA . 5861 1 64 . GLY . 5861 1 65 . LEU . 5861 1 66 . ARG . 5861 1 67 . GLU . 5861 1 68 . ALA . 5861 1 69 . SER . 5861 1 70 . ASP . 5861 1 71 . GLU . 5861 1 72 . VAL . 5861 1 73 . GLU . 5861 1 74 . ARG . 5861 1 75 . ILE . 5861 1 76 . GLY . 5861 1 77 . ILE . 5861 1 78 . GLU . 5861 1 79 . ARG . 5861 1 80 . ALA . 5861 1 81 . TRP . 5861 1 82 . GLN . 5861 1 83 . GLU . 5861 1 84 . ILE . 5861 1 85 . GLU . 5861 1 86 . GLN . 5861 1 87 . ALA . 5861 1 88 . ASP . 5861 1 89 . ARG . 5861 1 90 . VAL . 5861 1 91 . LEU . 5861 1 92 . PHE . 5861 1 93 . MET . 5861 1 94 . VAL . 5861 1 95 . ASP . 5861 1 96 . GLY . 5861 1 97 . THR . 5861 1 98 . THR . 5861 1 99 . THR . 5861 1 100 . ASP . 5861 1 101 . ALA . 5861 1 102 . VAL . 5861 1 103 . ASP . 5861 1 104 . PRO . 5861 1 105 . ALA . 5861 1 106 . GLU . 5861 1 107 . ILE . 5861 1 108 . TRP . 5861 1 109 . PRO . 5861 1 110 . GLU . 5861 1 111 . PHE . 5861 1 112 . ILE . 5861 1 113 . ALA . 5861 1 114 . ARG . 5861 1 115 . LEU . 5861 1 116 . PRO . 5861 1 117 . ALA . 5861 1 118 . LYS . 5861 1 119 . LEU . 5861 1 120 . PRO . 5861 1 121 . ILE . 5861 1 122 . THR . 5861 1 123 . VAL . 5861 1 124 . VAL . 5861 1 125 . ARG . 5861 1 126 . ASN . 5861 1 127 . LYS . 5861 1 128 . ALA . 5861 1 129 . ASP . 5861 1 130 . ILE . 5861 1 131 . THR . 5861 1 132 . GLY . 5861 1 133 . GLU . 5861 1 134 . THR . 5861 1 135 . LEU . 5861 1 136 . GLY . 5861 1 137 . MET . 5861 1 138 . SER . 5861 1 139 . GLU . 5861 1 140 . VAL . 5861 1 141 . ASN . 5861 1 142 . GLY . 5861 1 143 . HIS . 5861 1 144 . ALA . 5861 1 145 . LEU . 5861 1 146 . ILE . 5861 1 147 . ARG . 5861 1 148 . LEU . 5861 1 149 . SER . 5861 1 150 . ALA . 5861 1 151 . ARG . 5861 1 152 . THR . 5861 1 153 . GLY . 5861 1 154 . GLU . 5861 1 155 . GLY . 5861 1 156 . VAL . 5861 1 157 . ASP . 5861 1 158 . VAL . 5861 1 159 . LEU . 5861 1 160 . ARG . 5861 1 161 . ASN . 5861 1 162 . HIS . 5861 1 163 . LEU . 5861 1 164 . LYS . 5861 1 165 . GLN . 5861 1 166 . SER . 5861 1 167 . MET . 5861 1 168 . GLY . 5861 1 169 . ILE . 5861 1 170 . HIS . 5861 1 171 . ARG . 5861 1 172 . ASP . 5861 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 . GLY 1 1 5861 1 . SER 2 2 5861 1 . LEU 3 3 5861 1 . LEU 4 4 5861 1 . ARG 5 5 5861 1 . GLU 6 6 5861 1 . GLY 7 7 5861 1 . MET 8 8 5861 1 . LYS 9 9 5861 1 . VAL 10 10 5861 1 . VAL 11 11 5861 1 . ILE 12 12 5861 1 . ALA 13 13 5861 1 . GLY 14 14 5861 1 . ARG 15 15 5861 1 . PRO 16 16 5861 1 . ASN 17 17 5861 1 . ALA 18 18 5861 1 . GLY 19 19 5861 1 . LYS 20 20 5861 1 . SER 21 21 5861 1 . SER 22 22 5861 1 . LEU 23 23 5861 1 . LEU 24 24 5861 1 . ASN 25 25 5861 1 . ALA 26 26 5861 1 . LEU 27 27 5861 1 . ALA 28 28 5861 1 . GLY 29 29 5861 1 . ARG 30 30 5861 1 . GLU 31 31 5861 1 . ALA 32 32 5861 1 . ALA 33 33 5861 1 . ILE 34 34 5861 1 . VAL 35 35 5861 1 . THR 36 36 5861 1 . ASP 37 37 5861 1 . ILE 38 38 5861 1 . ALA 39 39 5861 1 . GLY 40 40 5861 1 . THR 41 41 5861 1 . THR 42 42 5861 1 . ARG 43 43 5861 1 . ASP 44 44 5861 1 . VAL 45 45 5861 1 . LEU 46 46 5861 1 . ARG 47 47 5861 1 . GLU 48 48 5861 1 . HIS 49 49 5861 1 . ILE 50 50 5861 1 . HIS 51 51 5861 1 . ILE 52 52 5861 1 . ASP 53 53 5861 1 . GLY 54 54 5861 1 . MET 55 55 5861 1 . PRO 56 56 5861 1 . LEU 57 57 5861 1 . HIS 58 58 5861 1 . ILE 59 59 5861 1 . ILE 60 60 5861 1 . ASP 61 61 5861 1 . THR 62 62 5861 1 . ALA 63 63 5861 1 . GLY 64 64 5861 1 . LEU 65 65 5861 1 . ARG 66 66 5861 1 . GLU 67 67 5861 1 . ALA 68 68 5861 1 . SER 69 69 5861 1 . ASP 70 70 5861 1 . GLU 71 71 5861 1 . VAL 72 72 5861 1 . GLU 73 73 5861 1 . ARG 74 74 5861 1 . ILE 75 75 5861 1 . GLY 76 76 5861 1 . ILE 77 77 5861 1 . GLU 78 78 5861 1 . ARG 79 79 5861 1 . ALA 80 80 5861 1 . TRP 81 81 5861 1 . GLN 82 82 5861 1 . GLU 83 83 5861 1 . ILE 84 84 5861 1 . GLU 85 85 5861 1 . GLN 86 86 5861 1 . ALA 87 87 5861 1 . ASP 88 88 5861 1 . ARG 89 89 5861 1 . VAL 90 90 5861 1 . LEU 91 91 5861 1 . PHE 92 92 5861 1 . MET 93 93 5861 1 . VAL 94 94 5861 1 . ASP 95 95 5861 1 . GLY 96 96 5861 1 . THR 97 97 5861 1 . THR 98 98 5861 1 . THR 99 99 5861 1 . ASP 100 100 5861 1 . ALA 101 101 5861 1 . VAL 102 102 5861 1 . ASP 103 103 5861 1 . PRO 104 104 5861 1 . ALA 105 105 5861 1 . GLU 106 106 5861 1 . ILE 107 107 5861 1 . TRP 108 108 5861 1 . PRO 109 109 5861 1 . GLU 110 110 5861 1 . PHE 111 111 5861 1 . ILE 112 112 5861 1 . ALA 113 113 5861 1 . ARG 114 114 5861 1 . LEU 115 115 5861 1 . PRO 116 116 5861 1 . ALA 117 117 5861 1 . LYS 118 118 5861 1 . LEU 119 119 5861 1 . PRO 120 120 5861 1 . ILE 121 121 5861 1 . THR 122 122 5861 1 . VAL 123 123 5861 1 . VAL 124 124 5861 1 . ARG 125 125 5861 1 . ASN 126 126 5861 1 . LYS 127 127 5861 1 . ALA 128 128 5861 1 . ASP 129 129 5861 1 . ILE 130 130 5861 1 . THR 131 131 5861 1 . GLY 132 132 5861 1 . GLU 133 133 5861 1 . THR 134 134 5861 1 . LEU 135 135 5861 1 . GLY 136 136 5861 1 . MET 137 137 5861 1 . SER 138 138 5861 1 . GLU 139 139 5861 1 . VAL 140 140 5861 1 . ASN 141 141 5861 1 . GLY 142 142 5861 1 . HIS 143 143 5861 1 . ALA 144 144 5861 1 . LEU 145 145 5861 1 . ILE 146 146 5861 1 . ARG 147 147 5861 1 . LEU 148 148 5861 1 . SER 149 149 5861 1 . ALA 150 150 5861 1 . ARG 151 151 5861 1 . THR 152 152 5861 1 . GLY 153 153 5861 1 . GLU 154 154 5861 1 . GLY 155 155 5861 1 . VAL 156 156 5861 1 . ASP 157 157 5861 1 . VAL 158 158 5861 1 . LEU 159 159 5861 1 . ARG 160 160 5861 1 . ASN 161 161 5861 1 . HIS 162 162 5861 1 . LEU 163 163 5861 1 . LYS 164 164 5861 1 . GLN 165 165 5861 1 . SER 166 166 5861 1 . MET 167 167 5861 1 . GLY 168 168 5861 1 . ILE 169 169 5861 1 . HIS 170 170 5861 1 . ARG 171 171 5861 1 . ASP 172 172 5861 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 5861 _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 $MnmE . 562 . . 'escherichia coli' 'Escherichia coli' . . Eubacteria . escherichia coli . . . . . . . . . . . . . . . . . . . . . 5861 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 5861 _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 $MnmE . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5861 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5861 _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 'gtpase domain mnme' '[U-95% 13C; U-95% 15N]' . . 1 $MnmE . . . 0.2 0.4 mM . . . . 5861 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5861 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 n/a 5861 1 temperature 298 1 K 5861 1 stop_ save_ ############################ # Computer software used # ############################ save_Xwinnmr _Software.Sf_category software _Software.Sf_framecode Xwinnmr _Software.Entry_ID 5861 _Software.ID 1 _Software.Name Xwinnmr _Software.Version 3.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5861 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 5861 _Software.ID 2 _Software.Name Sparky _Software.Version 3.104 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra analysis' 5861 2 'peak picking' 5861 2 'manual resonance assignments' 5861 2 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 5861 _Software.ID 3 _Software.Name AutoAssign _Software.Version 1.9.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automatic resonances pre-assignment' 5861 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5861 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer AVANCE _NMR_spectrometer.Model DRX-AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5861 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer AVANCE DRX-AVANCE . 500 . . . 5861 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 5861 _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 15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5861 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5861 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5861 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5861 1 5 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5861 1 6 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5861 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 5861 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 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 'Triple resonance cryoprobe provided spectrometer' 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 5861 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _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 'Triple resonance cryoprobe provided spectrometer' 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 5861 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _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 'Triple resonance cryoprobe provided spectrometer' 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 5861 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _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 'Triple resonance cryoprobe provided spectrometer' 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 5861 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCA _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 'Triple resonance cryoprobe provided spectrometer' 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 5861 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CO)CA _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 'Triple resonance cryoprobe provided spectrometer' 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 5861 _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 DSS methyl . . . . ppm 0.00 external indirect 1 external . parallel . . . . . . 5861 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5861 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5861 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_gdomain_bb _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode gdomain_bb _Assigned_chem_shift_list.Entry_ID 5861 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_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 $sample_1 . 5861 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY C C 13 175.0 0.1 . 1 . . . . . . . . 5861 1 2 . 1 1 2 2 SER H H 1 8.26 0.02 . 1 . . . . . . . . 5861 1 3 . 1 1 2 2 SER C C 13 176.1 0.1 . 1 . . . . . . . . 5861 1 4 . 1 1 2 2 SER CA C 13 56.51 0.1 . 1 . . . . . . . . 5861 1 5 . 1 1 2 2 SER CB C 13 63.51 0.1 . 1 . . . . . . . . 5861 1 6 . 1 1 2 2 SER N N 15 117.3 0.1 . 1 . . . . . . . . 5861 1 7 . 1 1 2 2 SER HA H 1 4.48 0.02 . 1 . . . . . . . . 5861 1 8 . 1 1 3 3 LEU H H 1 8.31 0.02 . 1 . . . . . . . . 5861 1 9 . 1 1 3 3 LEU C C 13 177.8 0.1 . 1 . . . . . . . . 5861 1 10 . 1 1 3 3 LEU CA C 13 54.76 0.1 . 1 . . . . . . . . 5861 1 11 . 1 1 3 3 LEU CB C 13 41.67 0.1 . 1 . . . . . . . . 5861 1 12 . 1 1 3 3 LEU N N 15 121.5 0.1 . 1 . . . . . . . . 5861 1 13 . 1 1 3 3 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 5861 1 14 . 1 1 4 4 LEU H H 1 7.95 0.02 . 1 . . . . . . . . 5861 1 15 . 1 1 4 4 LEU CA C 13 54.20 0.1 . 1 . . . . . . . . 5861 1 16 . 1 1 4 4 LEU CB C 13 42.30 0.1 . 1 . . . . . . . . 5861 1 17 . 1 1 4 4 LEU N N 15 120.0 0.1 . 1 . . . . . . . . 5861 1 18 . 1 1 4 4 LEU C C 13 175.1 0.1 . 1 . . . . . . . . 5861 1 19 . 1 1 4 4 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 5861 1 20 . 1 1 5 5 ARG C C 13 176.0 0.1 . 1 . . . . . . . . 5861 1 21 . 1 1 5 5 ARG CA C 13 61.47 0.1 . 1 . . . . . . . . 5861 1 22 . 1 1 5 5 ARG H H 1 8.36 0.02 . 1 . . . . . . . . 5861 1 23 . 1 1 5 5 ARG N N 15 121.2 0.1 . 1 . . . . . . . . 5861 1 24 . 1 1 5 5 ARG HA H 1 4.72 0.02 . 1 . . . . . . . . 5861 1 25 . 1 1 6 6 GLU H H 1 8.37 0.02 . 1 . . . . . . . . 5861 1 26 . 1 1 6 6 GLU C C 13 177.4 0.1 . 1 . . . . . . . . 5861 1 27 . 1 1 6 6 GLU CA C 13 57.30 0.1 . 1 . . . . . . . . 5861 1 28 . 1 1 6 6 GLU CB C 13 30.62 0.1 . 1 . . . . . . . . 5861 1 29 . 1 1 6 6 GLU N N 15 124.5 0.1 . 1 . . . . . . . . 5861 1 30 . 1 1 6 6 GLU HA H 1 5.21 0.02 . 1 . . . . . . . . 5861 1 31 . 1 1 7 7 GLY H H 1 8.50 0.02 . 1 . . . . . . . . 5861 1 32 . 1 1 7 7 GLY C C 13 174.4 0.1 . 1 . . . . . . . . 5861 1 33 . 1 1 7 7 GLY CA C 13 45.60 0.1 . 1 . . . . . . . . 5861 1 34 . 1 1 7 7 GLY N N 15 110.0 0.1 . 1 . . . . . . . . 5861 1 35 . 1 1 8 8 MET H H 1 7.92 0.02 . 1 . . . . . . . . 5861 1 36 . 1 1 8 8 MET C C 13 174.9 0.1 . 1 . . . . . . . . 5861 1 37 . 1 1 8 8 MET CA C 13 54.05 0.1 . 1 . . . . . . . . 5861 1 38 . 1 1 8 8 MET CB C 13 31.11 0.1 . 1 . . . . . . . . 5861 1 39 . 1 1 8 8 MET N N 15 118.6 0.1 . 1 . . . . . . . . 5861 1 40 . 1 1 8 8 MET HA H 1 4.96 0.02 . 1 . . . . . . . . 5861 1 41 . 1 1 9 9 LYS H H 1 8.94 0.02 . 1 . . . . . . . . 5861 1 42 . 1 1 9 9 LYS C C 13 178.6 0.1 . 1 . . . . . . . . 5861 1 43 . 1 1 9 9 LYS CA C 13 54.81 0.1 . 1 . . . . . . . . 5861 1 44 . 1 1 9 9 LYS CB C 13 31.76 0.1 . 1 . . . . . . . . 5861 1 45 . 1 1 9 9 LYS N N 15 125.1 0.1 . 1 . . . . . . . . 5861 1 46 . 1 1 9 9 LYS HA H 1 4.57 0.02 . 1 . . . . . . . . 5861 1 47 . 1 1 10 10 VAL H H 1 8.19 0.02 . 1 . . . . . . . . 5861 1 48 . 1 1 10 10 VAL C C 13 179.1 0.1 . 1 . . . . . . . . 5861 1 49 . 1 1 10 10 VAL CA C 13 59.54 0.1 . 1 . . . . . . . . 5861 1 50 . 1 1 10 10 VAL CB C 13 30.55 0.1 . 1 . . . . . . . . 5861 1 51 . 1 1 10 10 VAL N N 15 120.2 0.1 . 1 . . . . . . . . 5861 1 52 . 1 1 10 10 VAL HA H 1 4.79 0.02 . 1 . . . . . . . . 5861 1 53 . 1 1 11 11 VAL H H 1 7.94 0.02 . 1 . . . . . . . . 5861 1 54 . 1 1 11 11 VAL C C 13 174.2 0.1 . 1 . . . . . . . . 5861 1 55 . 1 1 11 11 VAL CA C 13 56.69 0.1 . 1 . . . . . . . . 5861 1 56 . 1 1 11 11 VAL CB C 13 38.49 0.1 . 1 . . . . . . . . 5861 1 57 . 1 1 11 11 VAL N N 15 116.2 0.1 . 1 . . . . . . . . 5861 1 58 . 1 1 11 11 VAL HA H 1 4.84 0.02 . 1 . . . . . . . . 5861 1 59 . 1 1 12 12 ILE H H 1 8.81 0.02 . 1 . . . . . . . . 5861 1 60 . 1 1 12 12 ILE C C 13 176.2 0.1 . 1 . . . . . . . . 5861 1 61 . 1 1 12 12 ILE CA C 13 51.15 0.1 . 1 . . . . . . . . 5861 1 62 . 1 1 12 12 ILE N N 15 121.5 0.1 . 1 . . . . . . . . 5861 1 63 . 1 1 12 12 ILE HA H 1 4.73 0.02 . 1 . . . . . . . . 5861 1 64 . 1 1 13 13 ALA H H 1 8.07 0.02 . 1 . . . . . . . . 5861 1 65 . 1 1 13 13 ALA CA C 13 57.56 0.1 . 1 . . . . . . . . 5861 1 66 . 1 1 13 13 ALA N N 15 113.6 0.1 . 1 . . . . . . . . 5861 1 67 . 1 1 13 13 ALA C C 13 178.1 0.1 . 1 . . . . . . . . 5861 1 68 . 1 1 13 13 ALA HA H 1 4.89 0.02 . 1 . . . . . . . . 5861 1 69 . 1 1 14 14 GLY H H 1 8.32 0.02 . 1 . . . . . . . . 5861 1 70 . 1 1 14 14 GLY N N 15 108.4 0.1 . 1 . . . . . . . . 5861 1 71 . 1 1 14 14 GLY CA C 13 43.6 0.1 . 1 . . . . . . . . 5861 1 72 . 1 1 14 14 GLY C C 13 174.4 0.1 . 1 . . . . . . . . 5861 1 73 . 1 1 14 14 GLY HA2 H 1 4.06 0.02 . 2 . . . . . . . . 5861 1 74 . 1 1 15 15 ARG H H 1 8.35 0.02 . 1 . . . . . . . . 5861 1 75 . 1 1 15 15 ARG N N 15 119.9 0.1 . 1 . . . . . . . . 5861 1 76 . 1 1 15 15 ARG CA C 13 51.5 0.1 . 1 . . . . . . . . 5861 1 77 . 1 1 15 15 ARG CB C 13 29.3 0.1 . 1 . . . . . . . . 5861 1 78 . 1 1 15 15 ARG HA H 1 4.40 0.02 . 1 . . . . . . . . 5861 1 79 . 1 1 16 16 PRO C C 13 175.0 0.1 . 1 . . . . . . . . 5861 1 80 . 1 1 16 16 PRO CA C 13 60.92 0.1 . 1 . . . . . . . . 5861 1 81 . 1 1 16 16 PRO HA H 1 4.47 0.02 . 1 . . . . . . . . 5861 1 82 . 1 1 17 17 ASN H H 1 8.84 0.02 . 1 . . . . . . . . 5861 1 83 . 1 1 17 17 ASN C C 13 178.5 0.1 . 1 . . . . . . . . 5861 1 84 . 1 1 17 17 ASN CA C 13 53.54 0.1 . 1 . . . . . . . . 5861 1 85 . 1 1 17 17 ASN N N 15 124.7 0.1 . 1 . . . . . . . . 5861 1 86 . 1 1 17 17 ASN HA H 1 4.30 0.02 . 1 . . . . . . . . 5861 1 87 . 1 1 18 18 ALA H H 1 7.79 0.02 . 1 . . . . . . . . 5861 1 88 . 1 1 18 18 ALA C C 13 178.6 0.1 . 1 . . . . . . . . 5861 1 89 . 1 1 18 18 ALA CA C 13 53.59 0.1 . 1 . . . . . . . . 5861 1 90 . 1 1 18 18 ALA CB C 13 19.59 0.1 . 1 . . . . . . . . 5861 1 91 . 1 1 18 18 ALA N N 15 106.0 0.1 . 1 . . . . . . . . 5861 1 92 . 1 1 18 18 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . 5861 1 93 . 1 1 19 19 GLY H H 1 8.30 0.02 . 1 . . . . . . . . 5861 1 94 . 1 1 19 19 GLY C C 13 177.5 0.1 . 1 . . . . . . . . 5861 1 95 . 1 1 19 19 GLY CA C 13 45.85 0.1 . 1 . . . . . . . . 5861 1 96 . 1 1 19 19 GLY N N 15 108.0 0.1 . 1 . . . . . . . . 5861 1 97 . 1 1 19 19 GLY HA2 H 1 3.84 0.02 . 2 . . . . . . . . 5861 1 98 . 1 1 19 19 GLY HA3 H 1 3.94 0.02 . 2 . . . . . . . . 5861 1 99 . 1 1 20 20 LYS H H 1 8.15 0.02 . 1 . . . . . . . . 5861 1 100 . 1 1 20 20 LYS C C 13 176.7 0.1 . 1 . . . . . . . . 5861 1 101 . 1 1 20 20 LYS CA C 13 55.84 0.1 . 1 . . . . . . . . 5861 1 102 . 1 1 20 20 LYS CB C 13 33.33 0.1 . 1 . . . . . . . . 5861 1 103 . 1 1 20 20 LYS N N 15 120.8 0.1 . 1 . . . . . . . . 5861 1 104 . 1 1 20 20 LYS HA H 1 3.87 0.02 . 1 . . . . . . . . 5861 1 105 . 1 1 21 21 SER H H 1 8.34 0.02 . 1 . . . . . . . . 5861 1 106 . 1 1 21 21 SER C C 13 174.8 0.1 . 1 . . . . . . . . 5861 1 107 . 1 1 21 21 SER CA C 13 58.93 0.1 . 1 . . . . . . . . 5861 1 108 . 1 1 21 21 SER CB C 13 64.28 0.1 . 1 . . . . . . . . 5861 1 109 . 1 1 21 21 SER N N 15 116.7 0.1 . 1 . . . . . . . . 5861 1 110 . 1 1 21 21 SER HA H 1 4.11 0.02 . 1 . . . . . . . . 5861 1 111 . 1 1 22 22 SER H H 1 8.41 0.02 . 1 . . . . . . . . 5861 1 112 . 1 1 22 22 SER C C 13 176.5 0.1 . 1 . . . . . . . . 5861 1 113 . 1 1 22 22 SER CA C 13 58.73 0.1 . 1 . . . . . . . . 5861 1 114 . 1 1 22 22 SER N N 15 122.6 0.1 . 1 . . . . . . . . 5861 1 115 . 1 1 22 22 SER HA H 1 4.25 0.02 . 1 . . . . . . . . 5861 1 116 . 1 1 23 23 LEU H H 1 8.50 0.02 . 1 . . . . . . . . 5861 1 117 . 1 1 23 23 LEU C C 13 174.5 0.1 . 1 . . . . . . . . 5861 1 118 . 1 1 23 23 LEU CA C 13 60.05 0.1 . 1 . . . . . . . . 5861 1 119 . 1 1 23 23 LEU CB C 13 42.49 0.1 . 1 . . . . . . . . 5861 1 120 . 1 1 23 23 LEU N N 15 120.4 0.1 . 1 . . . . . . . . 5861 1 121 . 1 1 23 23 LEU HA H 1 4.12 0.02 . 1 . . . . . . . . 5861 1 122 . 1 1 24 24 LEU H H 1 8.62 0.02 . 1 . . . . . . . . 5861 1 123 . 1 1 24 24 LEU C C 13 173.8 0.1 . 1 . . . . . . . . 5861 1 124 . 1 1 24 24 LEU CA C 13 53.13 0.1 . 1 . . . . . . . . 5861 1 125 . 1 1 24 24 LEU CB C 13 43.07 0.1 . 1 . . . . . . . . 5861 1 126 . 1 1 24 24 LEU N N 15 125.9 0.1 . 1 . . . . . . . . 5861 1 127 . 1 1 24 24 LEU HA H 1 3.84 0.02 . 1 . . . . . . . . 5861 1 128 . 1 1 25 25 ASN H H 1 9.24 0.02 . 1 . . . . . . . . 5861 1 129 . 1 1 25 25 ASN C C 13 176.4 0.1 . 1 . . . . . . . . 5861 1 130 . 1 1 25 25 ASN CA C 13 57.15 0.1 . 1 . . . . . . . . 5861 1 131 . 1 1 25 25 ASN CB C 13 41.84 0.1 . 1 . . . . . . . . 5861 1 132 . 1 1 25 25 ASN N N 15 127.0 0.1 . 1 . . . . . . . . 5861 1 133 . 1 1 25 25 ASN HA H 1 4.36 0.02 . 1 . . . . . . . . 5861 1 134 . 1 1 26 26 ALA H H 1 8.11 0.02 . 1 . . . . . . . . 5861 1 135 . 1 1 26 26 ALA C C 13 176.6 0.1 . 1 . . . . . . . . 5861 1 136 . 1 1 26 26 ALA CA C 13 52.78 0.1 . 1 . . . . . . . . 5861 1 137 . 1 1 26 26 ALA CB C 13 19.79 0.1 . 1 . . . . . . . . 5861 1 138 . 1 1 26 26 ALA N N 15 124.3 0.1 . 1 . . . . . . . . 5861 1 139 . 1 1 26 26 ALA HA H 1 4.04 0.02 . 1 . . . . . . . . 5861 1 140 . 1 1 27 27 LEU H H 1 8.03 0.02 . 1 . . . . . . . . 5861 1 141 . 1 1 27 27 LEU C C 13 175.1 0.1 . 1 . . . . . . . . 5861 1 142 . 1 1 27 27 LEU CA C 13 56.08 0.1 . 1 . . . . . . . . 5861 1 143 . 1 1 27 27 LEU CB C 13 38.93 0.1 . 1 . . . . . . . . 5861 1 144 . 1 1 27 27 LEU N N 15 119.8 0.1 . 1 . . . . . . . . 5861 1 145 . 1 1 27 27 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 5861 1 146 . 1 1 28 28 ALA H H 1 8.07 0.02 . 1 . . . . . . . . 5861 1 147 . 1 1 28 28 ALA CA C 13 52.77 0.1 . 1 . . . . . . . . 5861 1 148 . 1 1 28 28 ALA CB C 13 19.81 0.1 . 1 . . . . . . . . 5861 1 149 . 1 1 28 28 ALA N N 15 124.0 0.1 . 1 . . . . . . . . 5861 1 150 . 1 1 28 28 ALA C C 13 176.0 0.1 . 1 . . . . . . . . 5861 1 151 . 1 1 28 28 ALA HA H 1 4.32 0.02 . 1 . . . . . . . . 5861 1 152 . 1 1 30 30 ARG H H 1 8.15 0.02 . 1 . . . . . . . . 5861 1 153 . 1 1 30 30 ARG C C 13 177.4 0.1 . 1 . . . . . . . . 5861 1 154 . 1 1 30 30 ARG CA C 13 59.23 0.1 . 1 . . . . . . . . 5861 1 155 . 1 1 30 30 ARG CB C 13 30.36 0.1 . 1 . . . . . . . . 5861 1 156 . 1 1 30 30 ARG N N 15 119.7 0.1 . 1 . . . . . . . . 5861 1 157 . 1 1 30 30 ARG HA H 1 4.46 0.02 . 1 . . . . . . . . 5861 1 158 . 1 1 31 31 GLU H H 1 7.09 0.02 . 1 . . . . . . . . 5861 1 159 . 1 1 31 31 GLU C C 13 175.5 0.1 . 1 . . . . . . . . 5861 1 160 . 1 1 31 31 GLU CA C 13 54.96 0.1 . 1 . . . . . . . . 5861 1 161 . 1 1 31 31 GLU CB C 13 29.62 0.1 . 1 . . . . . . . . 5861 1 162 . 1 1 31 31 GLU N N 15 114.0 0.1 . 1 . . . . . . . . 5861 1 163 . 1 1 31 31 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 5861 1 164 . 1 1 32 32 ALA H H 1 7.45 0.02 . 1 . . . . . . . . 5861 1 165 . 1 1 32 32 ALA C C 13 174.9 0.1 . 1 . . . . . . . . 5861 1 166 . 1 1 32 32 ALA CA C 13 52.52 0.1 . 1 . . . . . . . . 5861 1 167 . 1 1 32 32 ALA CB C 13 19.99 0.1 . 1 . . . . . . . . 5861 1 168 . 1 1 32 32 ALA N N 15 122.2 0.1 . 1 . . . . . . . . 5861 1 169 . 1 1 32 32 ALA HA H 1 4.33 0.02 . 1 . . . . . . . . 5861 1 170 . 1 1 33 33 ALA H H 1 8.78 0.02 . 1 . . . . . . . . 5861 1 171 . 1 1 33 33 ALA C C 13 174.4 0.1 . 1 . . . . . . . . 5861 1 172 . 1 1 33 33 ALA CA C 13 57.10 0.1 . 1 . . . . . . . . 5861 1 173 . 1 1 33 33 ALA CB C 13 20.27 0.1 . 1 . . . . . . . . 5861 1 174 . 1 1 33 33 ALA N N 15 114.9 0.1 . 1 . . . . . . . . 5861 1 175 . 1 1 33 33 ALA HA H 1 4.51 0.02 . 1 . . . . . . . . 5861 1 176 . 1 1 34 34 ILE H H 1 8.91 0.02 . 1 . . . . . . . . 5861 1 177 . 1 1 34 34 ILE C C 13 174.4 0.1 . 1 . . . . . . . . 5861 1 178 . 1 1 34 34 ILE CA C 13 55.32 0.1 . 1 . . . . . . . . 5861 1 179 . 1 1 34 34 ILE CB C 13 34.40 0.1 . 1 . . . . . . . . 5861 1 180 . 1 1 34 34 ILE N N 15 126.8 0.1 . 1 . . . . . . . . 5861 1 181 . 1 1 34 34 ILE HA H 1 4.43 0.02 . 1 . . . . . . . . 5861 1 182 . 1 1 35 35 VAL H H 1 8.89 0.02 . 1 . . . . . . . . 5861 1 183 . 1 1 35 35 VAL C C 13 176.4 0.1 . 1 . . . . . . . . 5861 1 184 . 1 1 35 35 VAL CA C 13 60.86 0.1 . 1 . . . . . . . . 5861 1 185 . 1 1 35 35 VAL CB C 13 33.11 0.1 . 1 . . . . . . . . 5861 1 186 . 1 1 35 35 VAL N N 15 118.6 0.1 . 1 . . . . . . . . 5861 1 187 . 1 1 35 35 VAL HA H 1 4.45 0.02 . 1 . . . . . . . . 5861 1 188 . 1 1 36 36 THR H H 1 8.16 0.02 . 1 . . . . . . . . 5861 1 189 . 1 1 36 36 THR C C 13 174.4 0.1 . 1 . . . . . . . . 5861 1 190 . 1 1 36 36 THR CA C 13 62.03 0.1 . 1 . . . . . . . . 5861 1 191 . 1 1 36 36 THR CB C 13 70.16 0.1 . 1 . . . . . . . . 5861 1 192 . 1 1 36 36 THR N N 15 117.6 0.1 . 1 . . . . . . . . 5861 1 193 . 1 1 36 36 THR HA H 1 4.87 0.02 . 1 . . . . . . . . 5861 1 194 . 1 1 37 37 ASP H H 1 8.25 0.02 . 1 . . . . . . . . 5861 1 195 . 1 1 37 37 ASP C C 13 176.6 0.1 . 1 . . . . . . . . 5861 1 196 . 1 1 37 37 ASP CA C 13 54.50 0.1 . 1 . . . . . . . . 5861 1 197 . 1 1 37 37 ASP CB C 13 41.57 0.1 . 1 . . . . . . . . 5861 1 198 . 1 1 37 37 ASP N N 15 122.7 0.1 . 1 . . . . . . . . 5861 1 199 . 1 1 37 37 ASP HA H 1 4.95 0.02 . 1 . . . . . . . . 5861 1 200 . 1 1 38 38 ILE H H 1 8.03 0.02 . 1 . . . . . . . . 5861 1 201 . 1 1 38 38 ILE C C 13 176.6 0.1 . 1 . . . . . . . . 5861 1 202 . 1 1 38 38 ILE CA C 13 61.83 0.1 . 1 . . . . . . . . 5861 1 203 . 1 1 38 38 ILE CB C 13 38.96 0.1 . 1 . . . . . . . . 5861 1 204 . 1 1 38 38 ILE N N 15 120.8 0.1 . 1 . . . . . . . . 5861 1 205 . 1 1 38 38 ILE HA H 1 4.53 0.02 . 1 . . . . . . . . 5861 1 206 . 1 1 39 39 ALA H H 1 8.32 0.02 . 1 . . . . . . . . 5861 1 207 . 1 1 39 39 ALA C C 13 178.7 0.1 . 1 . . . . . . . . 5861 1 208 . 1 1 39 39 ALA CA C 13 53.44 0.1 . 1 . . . . . . . . 5861 1 209 . 1 1 39 39 ALA CB C 13 19.53 0.1 . 1 . . . . . . . . 5861 1 210 . 1 1 39 39 ALA N N 15 127.0 0.1 . 1 . . . . . . . . 5861 1 211 . 1 1 39 39 ALA HA H 1 4.38 0.02 . 1 . . . . . . . . 5861 1 212 . 1 1 40 40 GLY H H 1 8.25 0.02 . 1 . . . . . . . . 5861 1 213 . 1 1 40 40 GLY C C 13 174.9 0.1 . 1 . . . . . . . . 5861 1 214 . 1 1 40 40 GLY CA C 13 45.75 0.1 . 1 . . . . . . . . 5861 1 215 . 1 1 40 40 GLY N N 15 107.7 0.1 . 1 . . . . . . . . 5861 1 216 . 1 1 40 40 GLY HA2 H 1 3.98 0.02 . 2 . . . . . . . . 5861 1 217 . 1 1 41 41 THR H H 1 8.02 0.02 . 1 . . . . . . . . 5861 1 218 . 1 1 41 41 THR C C 13 175.2 0.1 . 1 . . . . . . . . 5861 1 219 . 1 1 41 41 THR CA C 13 62.29 0.1 . 1 . . . . . . . . 5861 1 220 . 1 1 41 41 THR CB C 13 70.35 0.1 . 1 . . . . . . . . 5861 1 221 . 1 1 41 41 THR N N 15 113.4 0.1 . 1 . . . . . . . . 5861 1 222 . 1 1 41 41 THR HA H 1 4.48 0.02 . 1 . . . . . . . . 5861 1 223 . 1 1 42 42 THR H H 1 8.19 0.02 . 1 . . . . . . . . 5861 1 224 . 1 1 42 42 THR CA C 13 56.79 0.1 . 1 . . . . . . . . 5861 1 225 . 1 1 42 42 THR CB C 13 70.26 0.1 . 1 . . . . . . . . 5861 1 226 . 1 1 42 42 THR N N 15 116.5 0.1 . 1 . . . . . . . . 5861 1 227 . 1 1 42 42 THR C C 13 178.5 0.1 . 1 . . . . . . . . 5861 1 228 . 1 1 42 42 THR HA H 1 4.70 0.02 . 1 . . . . . . . . 5861 1 229 . 1 1 43 43 ARG H H 1 7.80 0.02 . 1 . . . . . . . . 5861 1 230 . 1 1 43 43 ARG CA C 13 60.9 0.1 . 1 . . . . . . . . 5861 1 231 . 1 1 43 43 ARG CB C 13 30.4 0.1 . 1 . . . . . . . . 5861 1 232 . 1 1 43 43 ARG N N 15 120.5 0.1 . 1 . . . . . . . . 5861 1 233 . 1 1 43 43 ARG C C 13 176.9 0.1 . 1 . . . . . . . . 5861 1 234 . 1 1 43 43 ARG HA H 1 4.51 0.02 . 1 . . . . . . . . 5861 1 235 . 1 1 44 44 ASP H H 1 8.83 0.02 . 1 . . . . . . . . 5861 1 236 . 1 1 44 44 ASP C C 13 177.0 0.1 . 1 . . . . . . . . 5861 1 237 . 1 1 44 44 ASP CA C 13 53.54 0.1 . 1 . . . . . . . . 5861 1 238 . 1 1 44 44 ASP CB C 13 41.11 0.1 . 1 . . . . . . . . 5861 1 239 . 1 1 44 44 ASP N N 15 124.6 0.1 . 1 . . . . . . . . 5861 1 240 . 1 1 44 44 ASP HA H 1 4.54 0.02 . 1 . . . . . . . . 5861 1 241 . 1 1 45 45 VAL H H 1 7.95 0.02 . 1 . . . . . . . . 5861 1 242 . 1 1 45 45 VAL C C 13 176.6 0.1 . 1 . . . . . . . . 5861 1 243 . 1 1 45 45 VAL CA C 13 56.87 0.1 . 1 . . . . . . . . 5861 1 244 . 1 1 45 45 VAL CB C 13 38.46 0.1 . 1 . . . . . . . . 5861 1 245 . 1 1 45 45 VAL N N 15 120.0 0.1 . 1 . . . . . . . . 5861 1 246 . 1 1 45 45 VAL HA H 1 3.97 0.02 . 1 . . . . . . . . 5861 1 247 . 1 1 46 46 LEU H H 1 8.19 0.02 . 1 . . . . . . . . 5861 1 248 . 1 1 46 46 LEU C C 13 173.6 0.1 . 1 . . . . . . . . 5861 1 249 . 1 1 46 46 LEU CA C 13 62.59 0.1 . 1 . . . . . . . . 5861 1 250 . 1 1 46 46 LEU CB C 13 42.42 0.1 . 1 . . . . . . . . 5861 1 251 . 1 1 46 46 LEU N N 15 124.4 0.1 . 1 . . . . . . . . 5861 1 252 . 1 1 46 46 LEU HA H 1 4.75 0.02 . 1 . . . . . . . . 5861 1 253 . 1 1 47 47 ARG H H 1 9.14 0.02 . 1 . . . . . . . . 5861 1 254 . 1 1 47 47 ARG C C 13 174.7 0.1 . 1 . . . . . . . . 5861 1 255 . 1 1 47 47 ARG CA C 13 62.69 0.1 . 1 . . . . . . . . 5861 1 256 . 1 1 47 47 ARG CB C 13 32.75 0.1 . 1 . . . . . . . . 5861 1 257 . 1 1 47 47 ARG N N 15 129.9 0.1 . 1 . . . . . . . . 5861 1 258 . 1 1 47 47 ARG HA H 1 4.55 0.02 . 1 . . . . . . . . 5861 1 259 . 1 1 48 48 GLU H H 1 8.34 0.02 . 1 . . . . . . . . 5861 1 260 . 1 1 48 48 GLU C C 13 176.6 0.1 . 1 . . . . . . . . 5861 1 261 . 1 1 48 48 GLU CA C 13 56.49 0.1 . 1 . . . . . . . . 5861 1 262 . 1 1 48 48 GLU CB C 13 31.39 0.1 . 1 . . . . . . . . 5861 1 263 . 1 1 48 48 GLU N N 15 123.2 0.1 . 1 . . . . . . . . 5861 1 264 . 1 1 48 48 GLU HA H 1 4.58 0.02 . 1 . . . . . . . . 5861 1 265 . 1 1 49 49 HIS H H 1 8.45 0.02 . 1 . . . . . . . . 5861 1 266 . 1 1 49 49 HIS C C 13 177.5 0.1 . 1 . . . . . . . . 5861 1 267 . 1 1 49 49 HIS CA C 13 57.25 0.1 . 1 . . . . . . . . 5861 1 268 . 1 1 49 49 HIS CB C 13 30.72 0.1 . 1 . . . . . . . . 5861 1 269 . 1 1 49 49 HIS N N 15 121.9 0.1 . 1 . . . . . . . . 5861 1 270 . 1 1 49 49 HIS HA H 1 4.96 0.02 . 1 . . . . . . . . 5861 1 271 . 1 1 50 50 ILE H H 1 7.25 0.02 . 1 . . . . . . . . 5861 1 272 . 1 1 50 50 ILE CA C 13 63.31 0.1 . 1 . . . . . . . . 5861 1 273 . 1 1 50 50 ILE CB C 13 39.89 0.1 . 1 . . . . . . . . 5861 1 274 . 1 1 50 50 ILE N N 15 119.1 0.1 . 1 . . . . . . . . 5861 1 275 . 1 1 50 50 ILE HA H 1 4.87 0.02 . 1 . . . . . . . . 5861 1 276 . 1 1 51 51 HIS C C 13 175.9 0.1 . 1 . . . . . . . . 5861 1 277 . 1 1 51 51 HIS CA C 13 55.94 0.1 . 1 . . . . . . . . 5861 1 278 . 1 1 51 51 HIS CB C 13 32.51 0.1 . 1 . . . . . . . . 5861 1 279 . 1 1 51 51 HIS HA H 1 4.96 0.02 . 1 . . . . . . . . 5861 1 280 . 1 1 52 52 ILE H H 1 8.74 0.02 . 1 . . . . . . . . 5861 1 281 . 1 1 52 52 ILE C C 13 175.3 0.1 . 1 . . . . . . . . 5861 1 282 . 1 1 52 52 ILE CA C 13 61.27 0.1 . 1 . . . . . . . . 5861 1 283 . 1 1 52 52 ILE CB C 13 34.75 0.1 . 1 . . . . . . . . 5861 1 284 . 1 1 52 52 ILE N N 15 123.8 0.1 . 1 . . . . . . . . 5861 1 285 . 1 1 52 52 ILE HA H 1 4.74 0.02 . 1 . . . . . . . . 5861 1 286 . 1 1 53 53 ASP H H 1 9.30 0.02 . 1 . . . . . . . . 5861 1 287 . 1 1 53 53 ASP C C 13 174.9 0.1 . 1 . . . . . . . . 5861 1 288 . 1 1 53 53 ASP CA C 13 54.35 0.1 . 1 . . . . . . . . 5861 1 289 . 1 1 53 53 ASP CB C 13 37.56 0.1 . 1 . . . . . . . . 5861 1 290 . 1 1 53 53 ASP N N 15 125.4 0.1 . 1 . . . . . . . . 5861 1 291 . 1 1 53 53 ASP HA H 1 4.79 0.02 . 1 . . . . . . . . 5861 1 292 . 1 1 54 54 GLY H H 1 8.57 0.02 . 1 . . . . . . . . 5861 1 293 . 1 1 54 54 GLY CA C 13 45.55 0.1 . 1 . . . . . . . . 5861 1 294 . 1 1 54 54 GLY N N 15 102.8 0.1 . 1 . . . . . . . . 5861 1 295 . 1 1 54 54 GLY HA2 H 1 3.98 0.02 . 2 . . . . . . . . 5861 1 296 . 1 1 55 55 MET H H 1 7.49 0.02 . 1 . . . . . . . . 5861 1 297 . 1 1 55 55 MET N N 15 114.7 0.1 . 1 . . . . . . . . 5861 1 298 . 1 1 55 55 MET CA C 13 52.7 0.1 . 1 . . . . . . . . 5861 1 299 . 1 1 55 55 MET CB C 13 30.0 0.1 . 1 . . . . . . . . 5861 1 300 . 1 1 55 55 MET HA H 1 4.66 0.02 . 1 . . . . . . . . 5861 1 301 . 1 1 56 56 PRO C C 13 177.0 0.1 . 1 . . . . . . . . 5861 1 302 . 1 1 56 56 PRO CA C 13 62.84 0.1 . 1 . . . . . . . . 5861 1 303 . 1 1 56 56 PRO HA H 1 4.65 0.02 . 1 . . . . . . . . 5861 1 304 . 1 1 57 57 LEU H H 1 9.04 0.02 . 1 . . . . . . . . 5861 1 305 . 1 1 57 57 LEU C C 13 178.4 0.1 . 1 . . . . . . . . 5861 1 306 . 1 1 57 57 LEU CA C 13 58.07 0.1 . 1 . . . . . . . . 5861 1 307 . 1 1 57 57 LEU CB C 13 41.39 0.1 . 1 . . . . . . . . 5861 1 308 . 1 1 57 57 LEU N N 15 125.7 0.1 . 1 . . . . . . . . 5861 1 309 . 1 1 57 57 LEU HA H 1 4.82 0.02 . 1 . . . . . . . . 5861 1 310 . 1 1 58 58 HIS H H 1 7.84 0.02 . 1 . . . . . . . . 5861 1 311 . 1 1 58 58 HIS C C 13 176.9 0.1 . 1 . . . . . . . . 5861 1 312 . 1 1 58 58 HIS CA C 13 60.20 0.1 . 1 . . . . . . . . 5861 1 313 . 1 1 58 58 HIS CB C 13 32.89 0.1 . 1 . . . . . . . . 5861 1 314 . 1 1 58 58 HIS N N 15 117.8 0.1 . 1 . . . . . . . . 5861 1 315 . 1 1 58 58 HIS HA H 1 5.05 0.02 . 1 . . . . . . . . 5861 1 316 . 1 1 59 59 ILE H H 1 8.10 0.02 . 1 . . . . . . . . 5861 1 317 . 1 1 59 59 ILE C C 13 172.8 0.1 . 1 . . . . . . . . 5861 1 318 . 1 1 59 59 ILE CA C 13 56.88 0.1 . 1 . . . . . . . . 5861 1 319 . 1 1 59 59 ILE CB C 13 45.58 0.1 . 1 . . . . . . . . 5861 1 320 . 1 1 59 59 ILE N N 15 120.6 0.1 . 1 . . . . . . . . 5861 1 321 . 1 1 59 59 ILE HA H 1 4.74 0.02 . 1 . . . . . . . . 5861 1 322 . 1 1 60 60 ILE H H 1 8.12 0.02 . 1 . . . . . . . . 5861 1 323 . 1 1 60 60 ILE C C 13 174.6 0.1 . 1 . . . . . . . . 5861 1 324 . 1 1 60 60 ILE CA C 13 55.78 0.1 . 1 . . . . . . . . 5861 1 325 . 1 1 60 60 ILE CB C 13 36.16 0.1 . 1 . . . . . . . . 5861 1 326 . 1 1 60 60 ILE N N 15 120.4 0.1 . 1 . . . . . . . . 5861 1 327 . 1 1 60 60 ILE HA H 1 5.09 0.02 . 1 . . . . . . . . 5861 1 328 . 1 1 61 61 ASP H H 1 10.01 0.02 . 1 . . . . . . . . 5861 1 329 . 1 1 61 61 ASP C C 13 175.2 0.1 . 1 . . . . . . . . 5861 1 330 . 1 1 61 61 ASP CA C 13 55.77 0.1 . 1 . . . . . . . . 5861 1 331 . 1 1 61 61 ASP CB C 13 36.34 0.1 . 1 . . . . . . . . 5861 1 332 . 1 1 61 61 ASP N N 15 126.9 0.1 . 1 . . . . . . . . 5861 1 333 . 1 1 61 61 ASP HA H 1 5.17 0.02 . 1 . . . . . . . . 5861 1 334 . 1 1 62 62 THR H H 1 8.67 0.02 . 1 . . . . . . . . 5861 1 335 . 1 1 62 62 THR C C 13 174.8 0.1 . 1 . . . . . . . . 5861 1 336 . 1 1 62 62 THR CA C 13 56.49 0.1 . 1 . . . . . . . . 5861 1 337 . 1 1 62 62 THR CB C 13 65.49 0.1 . 1 . . . . . . . . 5861 1 338 . 1 1 62 62 THR N N 15 111.8 0.1 . 1 . . . . . . . . 5861 1 339 . 1 1 62 62 THR HA H 1 4.15 0.02 . 1 . . . . . . . . 5861 1 340 . 1 1 63 63 ALA H H 1 9.82 0.02 . 1 . . . . . . . . 5861 1 341 . 1 1 63 63 ALA C C 13 179.1 0.1 . 1 . . . . . . . . 5861 1 342 . 1 1 63 63 ALA CA C 13 55.06 0.1 . 1 . . . . . . . . 5861 1 343 . 1 1 63 63 ALA CB C 13 18.36 0.1 . 1 . . . . . . . . 5861 1 344 . 1 1 63 63 ALA N N 15 132.7 0.1 . 1 . . . . . . . . 5861 1 345 . 1 1 63 63 ALA HA H 1 4.30 0.02 . 1 . . . . . . . . 5861 1 346 . 1 1 64 64 GLY H H 1 8.56 0.02 . 1 . . . . . . . . 5861 1 347 . 1 1 64 64 GLY C C 13 174.3 0.1 . 1 . . . . . . . . 5861 1 348 . 1 1 64 64 GLY CA C 13 45.70 0.1 . 1 . . . . . . . . 5861 1 349 . 1 1 64 64 GLY N N 15 105.7 0.1 . 1 . . . . . . . . 5861 1 350 . 1 1 64 64 GLY HA2 H 1 4.05 0.02 . 2 . . . . . . . . 5861 1 351 . 1 1 65 65 LEU H H 1 7.67 0.02 . 1 . . . . . . . . 5861 1 352 . 1 1 65 65 LEU C C 13 176.0 0.1 . 1 . . . . . . . . 5861 1 353 . 1 1 65 65 LEU CA C 13 61.42 0.1 . 1 . . . . . . . . 5861 1 354 . 1 1 65 65 LEU CB C 13 38.96 0.1 . 1 . . . . . . . . 5861 1 355 . 1 1 65 65 LEU N N 15 119.2 0.1 . 1 . . . . . . . . 5861 1 356 . 1 1 65 65 LEU HA H 1 4.49 0.02 . 1 . . . . . . . . 5861 1 357 . 1 1 66 66 ARG H H 1 8.38 0.02 . 1 . . . . . . . . 5861 1 358 . 1 1 66 66 ARG C C 13 175.8 0.1 . 1 . . . . . . . . 5861 1 359 . 1 1 66 66 ARG CA C 13 57.30 0.1 . 1 . . . . . . . . 5861 1 360 . 1 1 66 66 ARG CB C 13 30.64 0.1 . 1 . . . . . . . . 5861 1 361 . 1 1 66 66 ARG N N 15 124.3 0.1 . 1 . . . . . . . . 5861 1 362 . 1 1 66 66 ARG HA H 1 4.49 0.02 . 1 . . . . . . . . 5861 1 363 . 1 1 67 67 GLU H H 1 9.11 0.02 . 1 . . . . . . . . 5861 1 364 . 1 1 67 67 GLU C C 13 175.2 0.1 . 1 . . . . . . . . 5861 1 365 . 1 1 67 67 GLU CA C 13 56.59 0.1 . 1 . . . . . . . . 5861 1 366 . 1 1 67 67 GLU CB C 13 30.64 0.1 . 1 . . . . . . . . 5861 1 367 . 1 1 67 67 GLU N N 15 127.9 0.1 . 1 . . . . . . . . 5861 1 368 . 1 1 67 67 GLU HA H 1 3.84 0.02 . 1 . . . . . . . . 5861 1 369 . 1 1 68 68 ALA H H 1 8.25 0.02 . 1 . . . . . . . . 5861 1 370 . 1 1 68 68 ALA C C 13 178.1 0.1 . 1 . . . . . . . . 5861 1 371 . 1 1 68 68 ALA CA C 13 53.23 0.1 . 1 . . . . . . . . 5861 1 372 . 1 1 68 68 ALA CB C 13 19.62 0.1 . 1 . . . . . . . . 5861 1 373 . 1 1 68 68 ALA N N 15 124.8 0.1 . 1 . . . . . . . . 5861 1 374 . 1 1 68 68 ALA HA H 1 3.94 0.02 . 1 . . . . . . . . 5861 1 375 . 1 1 69 69 SER H H 1 8.26 0.02 . 1 . . . . . . . . 5861 1 376 . 1 1 69 69 SER C C 13 174.8 0.1 . 1 . . . . . . . . 5861 1 377 . 1 1 69 69 SER CA C 13 58.88 0.1 . 1 . . . . . . . . 5861 1 378 . 1 1 69 69 SER CB C 13 64.18 0.1 . 1 . . . . . . . . 5861 1 379 . 1 1 69 69 SER N N 15 115.0 0.1 . 1 . . . . . . . . 5861 1 380 . 1 1 69 69 SER HA H 1 3.95 0.02 . 1 . . . . . . . . 5861 1 381 . 1 1 70 70 ASP H H 1 8.46 0.02 . 1 . . . . . . . . 5861 1 382 . 1 1 70 70 ASP C C 13 178.2 0.1 . 1 . . . . . . . . 5861 1 383 . 1 1 70 70 ASP CA C 13 55.88 0.1 . 1 . . . . . . . . 5861 1 384 . 1 1 70 70 ASP CB C 13 42.79 0.1 . 1 . . . . . . . . 5861 1 385 . 1 1 70 70 ASP N N 15 124.7 0.1 . 1 . . . . . . . . 5861 1 386 . 1 1 70 70 ASP HA H 1 4.34 0.02 . 1 . . . . . . . . 5861 1 387 . 1 1 71 71 GLU H H 1 8.42 0.02 . 1 . . . . . . . . 5861 1 388 . 1 1 71 71 GLU C C 13 176.1 0.1 . 1 . . . . . . . . 5861 1 389 . 1 1 71 71 GLU CA C 13 55.72 0.1 . 1 . . . . . . . . 5861 1 390 . 1 1 71 71 GLU CB C 13 34.30 0.1 . 1 . . . . . . . . 5861 1 391 . 1 1 71 71 GLU N N 15 109.5 0.1 . 1 . . . . . . . . 5861 1 392 . 1 1 71 71 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 5861 1 393 . 1 1 72 72 VAL H H 1 9.11 0.02 . 1 . . . . . . . . 5861 1 394 . 1 1 72 72 VAL C C 13 174.1 0.1 . 1 . . . . . . . . 5861 1 395 . 1 1 72 72 VAL CA C 13 59.90 0.1 . 1 . . . . . . . . 5861 1 396 . 1 1 72 72 VAL CB C 13 35.69 0.1 . 1 . . . . . . . . 5861 1 397 . 1 1 72 72 VAL N N 15 124.6 0.1 . 1 . . . . . . . . 5861 1 398 . 1 1 72 72 VAL HA H 1 3.63 0.02 . 1 . . . . . . . . 5861 1 399 . 1 1 73 73 GLU H H 1 8.36 0.02 . 1 . . . . . . . . 5861 1 400 . 1 1 73 73 GLU C C 13 174.4 0.1 . 1 . . . . . . . . 5861 1 401 . 1 1 73 73 GLU CA C 13 51.35 0.1 . 1 . . . . . . . . 5861 1 402 . 1 1 73 73 GLU N N 15 125.3 0.1 . 1 . . . . . . . . 5861 1 403 . 1 1 73 73 GLU HA H 1 4.04 0.02 . 1 . . . . . . . . 5861 1 404 . 1 1 74 74 ARG H H 1 9.58 0.02 . 1 . . . . . . . . 5861 1 405 . 1 1 74 74 ARG C C 13 177.8 0.1 . 1 . . . . . . . . 5861 1 406 . 1 1 74 74 ARG CA C 13 53.18 0.1 . 1 . . . . . . . . 5861 1 407 . 1 1 74 74 ARG CB C 13 30.83 0.1 . 1 . . . . . . . . 5861 1 408 . 1 1 74 74 ARG N N 15 127.8 0.1 . 1 . . . . . . . . 5861 1 409 . 1 1 74 74 ARG HA H 1 4.01 0.02 . 1 . . . . . . . . 5861 1 410 . 1 1 75 75 ILE H H 1 8.24 0.02 . 1 . . . . . . . . 5861 1 411 . 1 1 75 75 ILE C C 13 176.9 0.1 . 1 . . . . . . . . 5861 1 412 . 1 1 75 75 ILE CA C 13 54.61 0.1 . 1 . . . . . . . . 5861 1 413 . 1 1 75 75 ILE CB C 13 41.20 0.1 . 1 . . . . . . . . 5861 1 414 . 1 1 75 75 ILE N N 15 118.5 0.1 . 1 . . . . . . . . 5861 1 415 . 1 1 75 75 ILE HA H 1 3.80 0.02 . 1 . . . . . . . . 5861 1 416 . 1 1 76 76 GLY H H 1 8.34 0.02 . 1 . . . . . . . . 5861 1 417 . 1 1 76 76 GLY C C 13 174.5 0.1 . 1 . . . . . . . . 5861 1 418 . 1 1 76 76 GLY CA C 13 45.55 0.1 . 1 . . . . . . . . 5861 1 419 . 1 1 76 76 GLY N N 15 109.3 0.1 . 1 . . . . . . . . 5861 1 420 . 1 1 76 76 GLY HA2 H 1 3.94 0.02 . 2 . . . . . . . . 5861 1 421 . 1 1 77 77 ILE H H 1 7.67 0.02 . 1 . . . . . . . . 5861 1 422 . 1 1 77 77 ILE C C 13 176.6 0.1 . 1 . . . . . . . . 5861 1 423 . 1 1 77 77 ILE CA C 13 55.72 0.1 . 1 . . . . . . . . 5861 1 424 . 1 1 77 77 ILE CB C 13 41.67 0.1 . 1 . . . . . . . . 5861 1 425 . 1 1 77 77 ILE N N 15 120.6 0.1 . 1 . . . . . . . . 5861 1 426 . 1 1 77 77 ILE HA H 1 4.11 0.02 . 1 . . . . . . . . 5861 1 427 . 1 1 78 78 GLU H H 1 7.64 0.02 . 1 . . . . . . . . 5861 1 428 . 1 1 78 78 GLU C C 13 179.8 0.1 . 1 . . . . . . . . 5861 1 429 . 1 1 78 78 GLU CA C 13 55.67 0.1 . 1 . . . . . . . . 5861 1 430 . 1 1 78 78 GLU CB C 13 31.86 0.1 . 1 . . . . . . . . 5861 1 431 . 1 1 78 78 GLU N N 15 121.2 0.1 . 1 . . . . . . . . 5861 1 432 . 1 1 78 78 GLU HA H 1 4.32 0.02 . 1 . . . . . . . . 5861 1 433 . 1 1 79 79 ARG H H 1 9.91 0.02 . 1 . . . . . . . . 5861 1 434 . 1 1 79 79 ARG C C 13 174.4 0.1 . 1 . . . . . . . . 5861 1 435 . 1 1 79 79 ARG CA C 13 60.41 0.1 . 1 . . . . . . . . 5861 1 436 . 1 1 79 79 ARG CB C 13 29.24 0.1 . 1 . . . . . . . . 5861 1 437 . 1 1 79 79 ARG N N 15 116.9 0.1 . 1 . . . . . . . . 5861 1 438 . 1 1 79 79 ARG HA H 1 4.21 0.02 . 1 . . . . . . . . 5861 1 439 . 1 1 80 80 ALA H H 1 8.60 0.02 . 1 . . . . . . . . 5861 1 440 . 1 1 80 80 ALA C C 13 178.7 0.1 . 1 . . . . . . . . 5861 1 441 . 1 1 80 80 ALA CA C 13 53.13 0.1 . 1 . . . . . . . . 5861 1 442 . 1 1 80 80 ALA CB C 13 18.55 0.1 . 1 . . . . . . . . 5861 1 443 . 1 1 80 80 ALA N N 15 125.8 0.1 . 1 . . . . . . . . 5861 1 444 . 1 1 80 80 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . 5861 1 445 . 1 1 81 81 TRP H H 1 7.49 0.02 . 1 . . . . . . . . 5861 1 446 . 1 1 81 81 TRP C C 13 177.0 0.1 . 1 . . . . . . . . 5861 1 447 . 1 1 81 81 TRP CA C 13 57.35 0.1 . 1 . . . . . . . . 5861 1 448 . 1 1 81 81 TRP CB C 13 30.46 0.1 . 1 . . . . . . . . 5861 1 449 . 1 1 81 81 TRP N N 15 113.5 0.1 . 1 . . . . . . . . 5861 1 450 . 1 1 81 81 TRP HA H 1 4.70 0.02 . 1 . . . . . . . . 5861 1 451 . 1 1 82 82 GLN H H 1 8.19 0.02 . 1 . . . . . . . . 5861 1 452 . 1 1 82 82 GLN C C 13 176.3 0.1 . 1 . . . . . . . . 5861 1 453 . 1 1 82 82 GLN CA C 13 56.54 0.1 . 1 . . . . . . . . 5861 1 454 . 1 1 82 82 GLN CB C 13 31.20 0.1 . 1 . . . . . . . . 5861 1 455 . 1 1 82 82 GLN N N 15 121.4 0.1 . 1 . . . . . . . . 5861 1 456 . 1 1 82 82 GLN HA H 1 4.31 0.02 . 1 . . . . . . . . 5861 1 457 . 1 1 83 83 GLU H H 1 8.32 0.02 . 1 . . . . . . . . 5861 1 458 . 1 1 83 83 GLU C C 13 175.0 0.1 . 1 . . . . . . . . 5861 1 459 . 1 1 83 83 GLU CA C 13 56.78 0.1 . 1 . . . . . . . . 5861 1 460 . 1 1 83 83 GLU CB C 13 30.62 0.1 . 1 . . . . . . . . 5861 1 461 . 1 1 83 83 GLU N N 15 120.8 0.1 . 1 . . . . . . . . 5861 1 462 . 1 1 83 83 GLU HA H 1 4.42 0.02 . 1 . . . . . . . . 5861 1 463 . 1 1 84 84 ILE H H 1 8.26 0.02 . 1 . . . . . . . . 5861 1 464 . 1 1 84 84 ILE C C 13 176.1 0.1 . 1 . . . . . . . . 5861 1 465 . 1 1 84 84 ILE CA C 13 62.75 0.1 . 1 . . . . . . . . 5861 1 466 . 1 1 84 84 ILE CB C 13 32.95 0.1 . 1 . . . . . . . . 5861 1 467 . 1 1 84 84 ILE N N 15 124.6 0.1 . 1 . . . . . . . . 5861 1 468 . 1 1 84 84 ILE HA H 1 4.54 0.02 . 1 . . . . . . . . 5861 1 469 . 1 1 85 85 GLU H H 1 8.29 0.02 . 1 . . . . . . . . 5861 1 470 . 1 1 85 85 GLU C C 13 176.2 0.1 . 1 . . . . . . . . 5861 1 471 . 1 1 85 85 GLU CA C 13 62.86 0.1 . 1 . . . . . . . . 5861 1 472 . 1 1 85 85 GLU CB C 13 33.15 0.1 . 1 . . . . . . . . 5861 1 473 . 1 1 85 85 GLU N N 15 125.9 0.1 . 1 . . . . . . . . 5861 1 474 . 1 1 85 85 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . 5861 1 475 . 1 1 86 86 GLN H H 1 8.43 0.02 . 1 . . . . . . . . 5861 1 476 . 1 1 86 86 GLN C C 13 177.7 0.1 . 1 . . . . . . . . 5861 1 477 . 1 1 86 86 GLN CA C 13 54.71 0.1 . 1 . . . . . . . . 5861 1 478 . 1 1 86 86 GLN N N 15 123.8 0.1 . 1 . . . . . . . . 5861 1 479 . 1 1 86 86 GLN HA H 1 4.31 0.02 . 1 . . . . . . . . 5861 1 480 . 1 1 87 87 ALA H H 1 8.03 0.02 . 1 . . . . . . . . 5861 1 481 . 1 1 87 87 ALA C C 13 177.5 0.1 . 1 . . . . . . . . 5861 1 482 . 1 1 87 87 ALA CA C 13 52.67 0.1 . 1 . . . . . . . . 5861 1 483 . 1 1 87 87 ALA CB C 13 19.62 0.1 . 1 . . . . . . . . 5861 1 484 . 1 1 87 87 ALA N N 15 119.8 0.1 . 1 . . . . . . . . 5861 1 485 . 1 1 87 87 ALA HA H 1 4.54 0.02 . 1 . . . . . . . . 5861 1 486 . 1 1 88 88 ASP H H 1 8.12 0.02 . 1 . . . . . . . . 5861 1 487 . 1 1 88 88 ASP C C 13 176.5 0.1 . 1 . . . . . . . . 5861 1 488 . 1 1 88 88 ASP CA C 13 54.25 0.1 . 1 . . . . . . . . 5861 1 489 . 1 1 88 88 ASP CB C 13 42.51 0.1 . 1 . . . . . . . . 5861 1 490 . 1 1 88 88 ASP N N 15 123.1 0.1 . 1 . . . . . . . . 5861 1 491 . 1 1 88 88 ASP HA H 1 4.42 0.02 . 1 . . . . . . . . 5861 1 492 . 1 1 89 89 ARG H H 1 8.54 0.02 . 1 . . . . . . . . 5861 1 493 . 1 1 89 89 ARG C C 13 174.3 0.1 . 1 . . . . . . . . 5861 1 494 . 1 1 89 89 ARG CA C 13 58.95 0.1 . 1 . . . . . . . . 5861 1 495 . 1 1 89 89 ARG CB C 13 30.27 0.1 . 1 . . . . . . . . 5861 1 496 . 1 1 89 89 ARG N N 15 120.0 0.1 . 1 . . . . . . . . 5861 1 497 . 1 1 89 89 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 5861 1 498 . 1 1 90 90 VAL H H 1 7.95 0.02 . 1 . . . . . . . . 5861 1 499 . 1 1 90 90 VAL C C 13 176.5 0.1 . 1 . . . . . . . . 5861 1 500 . 1 1 90 90 VAL CA C 13 59.54 0.1 . 1 . . . . . . . . 5861 1 501 . 1 1 90 90 VAL CB C 13 30.18 0.1 . 1 . . . . . . . . 5861 1 502 . 1 1 90 90 VAL N N 15 120.0 0.1 . 1 . . . . . . . . 5861 1 503 . 1 1 90 90 VAL HA H 1 4.53 0.02 . 1 . . . . . . . . 5861 1 504 . 1 1 91 91 LEU H H 1 8.24 0.02 . 1 . . . . . . . . 5861 1 505 . 1 1 91 91 LEU C C 13 175.1 0.1 . 1 . . . . . . . . 5861 1 506 . 1 1 91 91 LEU CA C 13 56.15 0.1 . 1 . . . . . . . . 5861 1 507 . 1 1 91 91 LEU CB C 13 42.70 0.1 . 1 . . . . . . . . 5861 1 508 . 1 1 91 91 LEU N N 15 124.8 0.1 . 1 . . . . . . . . 5861 1 509 . 1 1 91 91 LEU HA H 1 4.80 0.02 . 1 . . . . . . . . 5861 1 510 . 1 1 92 92 PHE H H 1 9.38 0.02 . 1 . . . . . . . . 5861 1 511 . 1 1 92 92 PHE C C 13 174.4 0.1 . 1 . . . . . . . . 5861 1 512 . 1 1 92 92 PHE CA C 13 59.79 0.1 . 1 . . . . . . . . 5861 1 513 . 1 1 92 92 PHE CB C 13 41.57 0.1 . 1 . . . . . . . . 5861 1 514 . 1 1 92 92 PHE N N 15 126.3 0.1 . 1 . . . . . . . . 5861 1 515 . 1 1 92 92 PHE HA H 1 5.09 0.02 . 1 . . . . . . . . 5861 1 516 . 1 1 93 93 MET H H 1 8.46 0.02 . 1 . . . . . . . . 5861 1 517 . 1 1 93 93 MET C C 13 175.2 0.1 . 1 . . . . . . . . 5861 1 518 . 1 1 93 93 MET CA C 13 55.22 0.1 . 1 . . . . . . . . 5861 1 519 . 1 1 93 93 MET CB C 13 31.74 0.1 . 1 . . . . . . . . 5861 1 520 . 1 1 93 93 MET N N 15 128.4 0.1 . 1 . . . . . . . . 5861 1 521 . 1 1 93 93 MET HA H 1 4.88 0.02 . 1 . . . . . . . . 5861 1 522 . 1 1 94 94 VAL H H 1 8.58 0.02 . 1 . . . . . . . . 5861 1 523 . 1 1 94 94 VAL C C 13 176.6 0.1 . 1 . . . . . . . . 5861 1 524 . 1 1 94 94 VAL CA C 13 54.66 0.1 . 1 . . . . . . . . 5861 1 525 . 1 1 94 94 VAL CB C 13 31.65 0.1 . 1 . . . . . . . . 5861 1 526 . 1 1 94 94 VAL N N 15 117.3 0.1 . 1 . . . . . . . . 5861 1 527 . 1 1 94 94 VAL HA H 1 5.07 0.02 . 1 . . . . . . . . 5861 1 528 . 1 1 95 95 ASP H H 1 8.51 0.02 . 1 . . . . . . . . 5861 1 529 . 1 1 95 95 ASP CA C 13 51.35 0.1 . 1 . . . . . . . . 5861 1 530 . 1 1 95 95 ASP N N 15 125.5 0.1 . 1 . . . . . . . . 5861 1 531 . 1 1 95 95 ASP C C 13 172.9 0.1 . 1 . . . . . . . . 5861 1 532 . 1 1 95 95 ASP HA H 1 5.05 0.02 . 1 . . . . . . . . 5861 1 533 . 1 1 96 96 GLY H H 1 8.85 0.02 . 1 . . . . . . . . 5861 1 534 . 1 1 96 96 GLY N N 15 112.4 0.1 . 1 . . . . . . . . 5861 1 535 . 1 1 96 96 GLY CA C 13 44.1 0.1 . 1 . . . . . . . . 5861 1 536 . 1 1 96 96 GLY C C 13 178.5 0.1 . 1 . . . . . . . . 5861 1 537 . 1 1 96 96 GLY HA2 H 1 3.94 0.02 . 2 . . . . . . . . 5861 1 538 . 1 1 97 97 THR H H 1 8.46 0.02 . 1 . . . . . . . . 5861 1 539 . 1 1 97 97 THR N N 15 112.8 0.1 . 1 . . . . . . . . 5861 1 540 . 1 1 97 97 THR C C 13 176.6 0.1 . 1 . . . . . . . . 5861 1 541 . 1 1 97 97 THR CA C 13 62.19 0.1 . 1 . . . . . . . . 5861 1 542 . 1 1 97 97 THR CB C 13 69.85 0.1 . 1 . . . . . . . . 5861 1 543 . 1 1 97 97 THR HA H 1 4.95 0.02 . 1 . . . . . . . . 5861 1 544 . 1 1 98 98 THR H H 1 7.57 0.02 . 1 . . . . . . . . 5861 1 545 . 1 1 98 98 THR C C 13 174.7 0.1 . 1 . . . . . . . . 5861 1 546 . 1 1 98 98 THR CA C 13 62.19 0.1 . 1 . . . . . . . . 5861 1 547 . 1 1 98 98 THR CB C 13 71.94 0.1 . 1 . . . . . . . . 5861 1 548 . 1 1 98 98 THR N N 15 109.1 0.1 . 1 . . . . . . . . 5861 1 549 . 1 1 98 98 THR HA H 1 4.83 0.02 . 1 . . . . . . . . 5861 1 550 . 1 1 99 99 THR H H 1 7.14 0.02 . 1 . . . . . . . . 5861 1 551 . 1 1 99 99 THR C C 13 172.4 0.1 . 1 . . . . . . . . 5861 1 552 . 1 1 99 99 THR CA C 13 60.41 0.1 . 1 . . . . . . . . 5861 1 553 . 1 1 99 99 THR CB C 13 68.11 0.1 . 1 . . . . . . . . 5861 1 554 . 1 1 99 99 THR N N 15 115.0 0.1 . 1 . . . . . . . . 5861 1 555 . 1 1 99 99 THR HA H 1 4.88 0.02 . 1 . . . . . . . . 5861 1 556 . 1 1 100 100 ASP H H 1 8.67 0.02 . 1 . . . . . . . . 5861 1 557 . 1 1 100 100 ASP C C 13 176.7 0.1 . 1 . . . . . . . . 5861 1 558 . 1 1 100 100 ASP CA C 13 54.62 0.1 . 1 . . . . . . . . 5861 1 559 . 1 1 100 100 ASP CB C 13 41.11 0.1 . 1 . . . . . . . . 5861 1 560 . 1 1 100 100 ASP N N 15 127.6 0.1 . 1 . . . . . . . . 5861 1 561 . 1 1 100 100 ASP HA H 1 4.78 0.02 . 1 . . . . . . . . 5861 1 562 . 1 1 101 101 ALA H H 1 7.98 0.02 . 1 . . . . . . . . 5861 1 563 . 1 1 101 101 ALA C C 13 178.7 0.1 . 1 . . . . . . . . 5861 1 564 . 1 1 101 101 ALA CA C 13 54.45 0.1 . 1 . . . . . . . . 5861 1 565 . 1 1 101 101 ALA CB C 13 19.41 0.1 . 1 . . . . . . . . 5861 1 566 . 1 1 101 101 ALA N N 15 119.8 0.1 . 1 . . . . . . . . 5861 1 567 . 1 1 101 101 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 5861 1 568 . 1 1 102 102 VAL H H 1 6.71 0.02 . 1 . . . . . . . . 5861 1 569 . 1 1 102 102 VAL C C 13 176.3 0.1 . 1 . . . . . . . . 5861 1 570 . 1 1 102 102 VAL CA C 13 55.57 0.1 . 1 . . . . . . . . 5861 1 571 . 1 1 102 102 VAL CB C 13 30.92 0.1 . 1 . . . . . . . . 5861 1 572 . 1 1 102 102 VAL N N 15 114.7 0.1 . 1 . . . . . . . . 5861 1 573 . 1 1 102 102 VAL HA H 1 4.33 0.02 . 1 . . . . . . . . 5861 1 574 . 1 1 103 103 ASP H H 1 7.08 0.02 . 1 . . . . . . . . 5861 1 575 . 1 1 103 103 ASP CA C 13 53.44 0.1 . 1 . . . . . . . . 5861 1 576 . 1 1 103 103 ASP CB C 13 41.76 0.1 . 1 . . . . . . . . 5861 1 577 . 1 1 103 103 ASP N N 15 120.5 0.1 . 1 . . . . . . . . 5861 1 578 . 1 1 103 103 ASP HA H 1 4.62 0.02 . 1 . . . . . . . . 5861 1 579 . 1 1 104 104 PRO C C 13 179.0 0.1 . 1 . . . . . . . . 5861 1 580 . 1 1 104 104 PRO CA C 13 59.22 0.1 . 1 . . . . . . . . 5861 1 581 . 1 1 104 104 PRO CB C 13 30.24 0.1 . 1 . . . . . . . . 5861 1 582 . 1 1 104 104 PRO HA H 1 4.31 0.02 . 1 . . . . . . . . 5861 1 583 . 1 1 105 105 ALA H H 1 7.89 0.02 . 1 . . . . . . . . 5861 1 584 . 1 1 105 105 ALA C C 13 176.5 0.1 . 1 . . . . . . . . 5861 1 585 . 1 1 105 105 ALA CA C 13 55.42 0.1 . 1 . . . . . . . . 5861 1 586 . 1 1 105 105 ALA CB C 13 18.40 0.1 . 1 . . . . . . . . 5861 1 587 . 1 1 105 105 ALA N N 15 123.1 0.1 . 1 . . . . . . . . 5861 1 588 . 1 1 105 105 ALA HA H 1 4.01 0.02 . 1 . . . . . . . . 5861 1 589 . 1 1 106 106 GLU H H 1 7.81 0.02 . 1 . . . . . . . . 5861 1 590 . 1 1 106 106 GLU C C 13 176.6 0.1 . 1 . . . . . . . . 5861 1 591 . 1 1 106 106 GLU CA C 13 57.56 0.1 . 1 . . . . . . . . 5861 1 592 . 1 1 106 106 GLU CB C 13 31.03 0.1 . 1 . . . . . . . . 5861 1 593 . 1 1 106 106 GLU N N 15 127.3 0.1 . 1 . . . . . . . . 5861 1 594 . 1 1 106 106 GLU HA H 1 3.89 0.02 . 1 . . . . . . . . 5861 1 595 . 1 1 107 107 ILE H H 1 8.07 0.02 . 1 . . . . . . . . 5861 1 596 . 1 1 107 107 ILE C C 13 176.1 0.1 . 1 . . . . . . . . 5861 1 597 . 1 1 107 107 ILE CA C 13 61.88 0.1 . 1 . . . . . . . . 5861 1 598 . 1 1 107 107 ILE CB C 13 39.15 0.1 . 1 . . . . . . . . 5861 1 599 . 1 1 107 107 ILE N N 15 121.1 0.1 . 1 . . . . . . . . 5861 1 600 . 1 1 107 107 ILE HA H 1 3.72 0.02 . 1 . . . . . . . . 5861 1 601 . 1 1 108 108 TRP H H 1 8.40 0.02 . 1 . . . . . . . . 5861 1 602 . 1 1 108 108 TRP CA C 13 54.71 0.1 . 1 . . . . . . . . 5861 1 603 . 1 1 108 108 TRP CB C 13 30.51 0.1 . 1 . . . . . . . . 5861 1 604 . 1 1 108 108 TRP N N 15 123.8 0.1 . 1 . . . . . . . . 5861 1 605 . 1 1 108 108 TRP HA H 1 4.55 0.02 . 1 . . . . . . . . 5861 1 606 . 1 1 109 109 PRO C C 13 174.2 0.1 . 1 . . . . . . . . 5861 1 607 . 1 1 109 109 PRO CA C 13 61.27 0.1 . 1 . . . . . . . . 5861 1 608 . 1 1 109 109 PRO CB C 13 30.83 0.1 . 1 . . . . . . . . 5861 1 609 . 1 1 109 109 PRO HA H 1 4.22 0.02 . 1 . . . . . . . . 5861 1 610 . 1 1 110 110 GLU H H 1 8.34 0.02 . 1 . . . . . . . . 5861 1 611 . 1 1 110 110 GLU C C 13 174.7 0.1 . 1 . . . . . . . . 5861 1 612 . 1 1 110 110 GLU CA C 13 56.34 0.1 . 1 . . . . . . . . 5861 1 613 . 1 1 110 110 GLU CB C 13 30.91 0.1 . 1 . . . . . . . . 5861 1 614 . 1 1 110 110 GLU N N 15 125.7 0.1 . 1 . . . . . . . . 5861 1 615 . 1 1 110 110 GLU HA H 1 3.98 0.02 . 1 . . . . . . . . 5861 1 616 . 1 1 111 111 PHE H H 1 7.93 0.02 . 1 . . . . . . . . 5861 1 617 . 1 1 111 111 PHE C C 13 177.9 0.1 . 1 . . . . . . . . 5861 1 618 . 1 1 111 111 PHE CA C 13 55.78 0.1 . 1 . . . . . . . . 5861 1 619 . 1 1 111 111 PHE CB C 13 42.68 0.1 . 1 . . . . . . . . 5861 1 620 . 1 1 111 111 PHE N N 15 121.5 0.1 . 1 . . . . . . . . 5861 1 621 . 1 1 111 111 PHE HA H 1 4.25 0.02 . 1 . . . . . . . . 5861 1 622 . 1 1 112 112 ILE H H 1 8.21 0.02 . 1 . . . . . . . . 5861 1 623 . 1 1 112 112 ILE C C 13 174.4 0.1 . 1 . . . . . . . . 5861 1 624 . 1 1 112 112 ILE CA C 13 54.81 0.1 . 1 . . . . . . . . 5861 1 625 . 1 1 112 112 ILE CB C 13 39.24 0.1 . 1 . . . . . . . . 5861 1 626 . 1 1 112 112 ILE N N 15 118.5 0.1 . 1 . . . . . . . . 5861 1 627 . 1 1 112 112 ILE HA H 1 3.89 0.02 . 1 . . . . . . . . 5861 1 628 . 1 1 113 113 ALA H H 1 7.72 0.02 . 1 . . . . . . . . 5861 1 629 . 1 1 113 113 ALA CA C 13 55.62 0.1 . 1 . . . . . . . . 5861 1 630 . 1 1 113 113 ALA CB C 13 19.90 0.1 . 1 . . . . . . . . 5861 1 631 . 1 1 113 113 ALA N N 15 122.9 0.1 . 1 . . . . . . . . 5861 1 632 . 1 1 113 113 ALA C C 13 173.1 0.1 . 1 . . . . . . . . 5861 1 633 . 1 1 113 113 ALA HA H 1 4.18 0.02 . 1 . . . . . . . . 5861 1 634 . 1 1 114 114 ARG H H 1 8.00 0.02 . 1 . . . . . . . . 5861 1 635 . 1 1 114 114 ARG N N 15 119.1 0.1 . 1 . . . . . . . . 5861 1 636 . 1 1 114 114 ARG CA C 13 55.5 0.1 . 1 . . . . . . . . 5861 1 637 . 1 1 114 114 ARG CB C 13 28.7 0.1 . 1 . . . . . . . . 5861 1 638 . 1 1 114 114 ARG C C 13 179.9 0.1 . 1 . . . . . . . . 5861 1 639 . 1 1 114 114 ARG HA H 1 4.08 0.02 . 1 . . . . . . . . 5861 1 640 . 1 1 115 115 LEU H H 1 8.00 0.02 . 1 . . . . . . . . 5861 1 641 . 1 1 115 115 LEU N N 15 119.1 0.1 . 1 . . . . . . . . 5861 1 642 . 1 1 115 115 LEU CA C 13 52.1 0.1 . 1 . . . . . . . . 5861 1 643 . 1 1 115 115 LEU CB C 13 39.6 0.1 . 1 . . . . . . . . 5861 1 644 . 1 1 115 115 LEU HA H 1 4.54 0.02 . 1 . . . . . . . . 5861 1 645 . 1 1 116 116 PRO C C 13 178.0 0.1 . 1 . . . . . . . . 5861 1 646 . 1 1 116 116 PRO CA C 13 63.32 0.1 . 1 . . . . . . . . 5861 1 647 . 1 1 116 116 PRO CB C 13 32.42 0.1 . 1 . . . . . . . . 5861 1 648 . 1 1 116 116 PRO HA H 1 4.30 0.02 . 1 . . . . . . . . 5861 1 649 . 1 1 117 117 ALA H H 1 8.62 0.02 . 1 . . . . . . . . 5861 1 650 . 1 1 117 117 ALA C C 13 179.0 0.1 . 1 . . . . . . . . 5861 1 651 . 1 1 117 117 ALA CA C 13 54.91 0.1 . 1 . . . . . . . . 5861 1 652 . 1 1 117 117 ALA CB C 13 18.87 0.1 . 1 . . . . . . . . 5861 1 653 . 1 1 117 117 ALA N N 15 127.0 0.1 . 1 . . . . . . . . 5861 1 654 . 1 1 117 117 ALA HA H 1 4.39 0.02 . 1 . . . . . . . . 5861 1 655 . 1 1 118 118 LYS H H 1 8.05 0.02 . 1 . . . . . . . . 5861 1 656 . 1 1 118 118 LYS C C 13 176.4 0.1 . 1 . . . . . . . . 5861 1 657 . 1 1 118 118 LYS CA C 13 56.64 0.1 . 1 . . . . . . . . 5861 1 658 . 1 1 118 118 LYS CB C 13 32.04 0.1 . 1 . . . . . . . . 5861 1 659 . 1 1 118 118 LYS N N 15 112.3 0.1 . 1 . . . . . . . . 5861 1 660 . 1 1 118 118 LYS HA H 1 4.48 0.02 . 1 . . . . . . . . 5861 1 661 . 1 1 119 119 LEU H H 1 7.18 0.02 . 1 . . . . . . . . 5861 1 662 . 1 1 119 119 LEU CA C 13 53.33 0.1 . 1 . . . . . . . . 5861 1 663 . 1 1 119 119 LEU CB C 13 43.44 0.1 . 1 . . . . . . . . 5861 1 664 . 1 1 119 119 LEU N N 15 124.8 0.1 . 1 . . . . . . . . 5861 1 665 . 1 1 119 119 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 5861 1 666 . 1 1 120 120 PRO HA H 1 4.54 0.02 . 1 . . . . . . . . 5861 1 667 . 1 1 121 121 ILE H H 1 8.85 0.02 . 1 . . . . . . . . 5861 1 668 . 1 1 121 121 ILE N N 15 119.5 0.1 . 1 . . . . . . . . 5861 1 669 . 1 1 121 121 ILE C C 13 177.3 0.1 . 1 . . . . . . . . 5861 1 670 . 1 1 121 121 ILE CA C 13 59.7 0.1 . 1 . . . . . . . . 5861 1 671 . 1 1 121 121 ILE CB C 13 38.5 0.1 . 1 . . . . . . . . 5861 1 672 . 1 1 121 121 ILE HA H 1 4.64 0.02 . 1 . . . . . . . . 5861 1 673 . 1 1 122 122 THR H H 1 8.97 0.02 . 1 . . . . . . . . 5861 1 674 . 1 1 122 122 THR N N 15 120.4 0.1 . 1 . . . . . . . . 5861 1 675 . 1 1 122 122 THR C C 13 177.1 0.1 . 1 . . . . . . . . 5861 1 676 . 1 1 122 122 THR CA C 13 65.71 0.1 . 1 . . . . . . . . 5861 1 677 . 1 1 122 122 THR CB C 13 65.69 0.1 . 1 . . . . . . . . 5861 1 678 . 1 1 122 122 THR HA H 1 4.98 0.02 . 1 . . . . . . . . 5861 1 679 . 1 1 123 123 VAL H H 1 7.96 0.02 . 1 . . . . . . . . 5861 1 680 . 1 1 123 123 VAL C C 13 178.9 0.1 . 1 . . . . . . . . 5861 1 681 . 1 1 123 123 VAL CA C 13 59.44 0.1 . 1 . . . . . . . . 5861 1 682 . 1 1 123 123 VAL CB C 13 30.08 0.1 . 1 . . . . . . . . 5861 1 683 . 1 1 123 123 VAL N N 15 114.6 0.1 . 1 . . . . . . . . 5861 1 684 . 1 1 123 123 VAL HA H 1 5.03 0.02 . 1 . . . . . . . . 5861 1 685 . 1 1 124 124 VAL H H 1 7.98 0.02 . 1 . . . . . . . . 5861 1 686 . 1 1 124 124 VAL C C 13 178.8 0.1 . 1 . . . . . . . . 5861 1 687 . 1 1 124 124 VAL CA C 13 59.34 0.1 . 1 . . . . . . . . 5861 1 688 . 1 1 124 124 VAL CB C 13 28.68 0.1 . 1 . . . . . . . . 5861 1 689 . 1 1 124 124 VAL N N 15 118.6 0.1 . 1 . . . . . . . . 5861 1 690 . 1 1 124 124 VAL HA H 1 4.60 0.02 . 1 . . . . . . . . 5861 1 691 . 1 1 125 125 ARG H H 1 7.57 0.02 . 1 . . . . . . . . 5861 1 692 . 1 1 125 125 ARG C C 13 178.7 0.1 . 1 . . . . . . . . 5861 1 693 . 1 1 125 125 ARG CA C 13 56.18 0.1 . 1 . . . . . . . . 5861 1 694 . 1 1 125 125 ARG CB C 13 38.10 0.1 . 1 . . . . . . . . 5861 1 695 . 1 1 125 125 ARG N N 15 117.8 0.1 . 1 . . . . . . . . 5861 1 696 . 1 1 125 125 ARG HA H 1 4.78 0.02 . 1 . . . . . . . . 5861 1 697 . 1 1 126 126 ASN H H 1 8.01 0.02 . 1 . . . . . . . . 5861 1 698 . 1 1 126 126 ASN CA C 13 47.08 0.1 . 1 . . . . . . . . 5861 1 699 . 1 1 126 126 ASN N N 15 108.7 0.1 . 1 . . . . . . . . 5861 1 700 . 1 1 126 126 ASN C C 13 176.2 0.1 . 1 . . . . . . . . 5861 1 701 . 1 1 126 126 ASN HA H 1 4.87 0.02 . 1 . . . . . . . . 5861 1 702 . 1 1 127 127 LYS H H 1 8.20 0.02 . 1 . . . . . . . . 5861 1 703 . 1 1 127 127 LYS N N 15 120.4 0.1 . 1 . . . . . . . . 5861 1 704 . 1 1 127 127 LYS C C 13 177.8 0.1 . 1 . . . . . . . . 5861 1 705 . 1 1 127 127 LYS CA C 13 56.18 0.1 . 1 . . . . . . . . 5861 1 706 . 1 1 127 127 LYS CB C 13 38.36 0.1 . 1 . . . . . . . . 5861 1 707 . 1 1 127 127 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 5861 1 708 . 1 1 128 128 ALA H H 1 8.00 0.02 . 1 . . . . . . . . 5861 1 709 . 1 1 128 128 ALA C C 13 181.6 0.1 . 1 . . . . . . . . 5861 1 710 . 1 1 128 128 ALA CA C 13 55.27 0.1 . 1 . . . . . . . . 5861 1 711 . 1 1 128 128 ALA CB C 13 18.87 0.1 . 1 . . . . . . . . 5861 1 712 . 1 1 128 128 ALA N N 15 123.1 0.1 . 1 . . . . . . . . 5861 1 713 . 1 1 128 128 ALA HA H 1 4.31 0.02 . 1 . . . . . . . . 5861 1 714 . 1 1 129 129 ASP H H 1 8.66 0.02 . 1 . . . . . . . . 5861 1 715 . 1 1 129 129 ASP C C 13 174.4 0.1 . 1 . . . . . . . . 5861 1 716 . 1 1 129 129 ASP CA C 13 55.11 0.1 . 1 . . . . . . . . 5861 1 717 . 1 1 129 129 ASP CB C 13 42.98 0.1 . 1 . . . . . . . . 5861 1 718 . 1 1 129 129 ASP N N 15 118.7 0.1 . 1 . . . . . . . . 5861 1 719 . 1 1 129 129 ASP HA H 1 4.40 0.02 . 1 . . . . . . . . 5861 1 720 . 1 1 130 130 ILE H H 1 8.17 0.02 . 1 . . . . . . . . 5861 1 721 . 1 1 130 130 ILE C C 13 177.7 0.1 . 1 . . . . . . . . 5861 1 722 . 1 1 130 130 ILE CA C 13 63.67 0.1 . 1 . . . . . . . . 5861 1 723 . 1 1 130 130 ILE CB C 13 43.24 0.1 . 1 . . . . . . . . 5861 1 724 . 1 1 130 130 ILE N N 15 126.9 0.1 . 1 . . . . . . . . 5861 1 725 . 1 1 130 130 ILE HA H 1 3.64 0.02 . 1 . . . . . . . . 5861 1 726 . 1 1 131 131 THR H H 1 8.04 0.02 . 1 . . . . . . . . 5861 1 727 . 1 1 131 131 THR C C 13 177.2 0.1 . 1 . . . . . . . . 5861 1 728 . 1 1 131 131 THR CA C 13 62.34 0.1 . 1 . . . . . . . . 5861 1 729 . 1 1 131 131 THR CB C 13 70.07 0.1 . 1 . . . . . . . . 5861 1 730 . 1 1 131 131 THR N N 15 106.4 0.1 . 1 . . . . . . . . 5861 1 731 . 1 1 131 131 THR HA H 1 3.89 0.02 . 1 . . . . . . . . 5861 1 732 . 1 1 132 132 GLY H H 1 8.01 0.02 . 1 . . . . . . . . 5861 1 733 . 1 1 132 132 GLY CA C 13 45.70 0.1 . 1 . . . . . . . . 5861 1 734 . 1 1 132 132 GLY N N 15 111.0 0.1 . 1 . . . . . . . . 5861 1 735 . 1 1 132 132 GLY HA2 H 1 4.02 0.02 . 2 . . . . . . . . 5861 1 736 . 1 1 133 133 GLU H H 1 8.24 0.02 . 1 . . . . . . . . 5861 1 737 . 1 1 133 133 GLU N N 15 122.2 0.1 . 1 . . . . . . . . 5861 1 738 . 1 1 133 133 GLU C C 13 173.8 0.1 . 1 . . . . . . . . 5861 1 739 . 1 1 133 133 GLU CA C 13 57.0 0.1 . 1 . . . . . . . . 5861 1 740 . 1 1 133 133 GLU CB C 13 27.3 0.1 . 1 . . . . . . . . 5861 1 741 . 1 1 133 133 GLU HA H 1 4.02 0.02 . 1 . . . . . . . . 5861 1 742 . 1 1 134 134 THR H H 1 8.67 0.02 . 1 . . . . . . . . 5861 1 743 . 1 1 134 134 THR C C 13 175.6 0.1 . 1 . . . . . . . . 5861 1 744 . 1 1 134 134 THR CA C 13 63.53 0.1 . 1 . . . . . . . . 5861 1 745 . 1 1 134 134 THR CB C 13 69.98 0.1 . 1 . . . . . . . . 5861 1 746 . 1 1 134 134 THR N N 15 108.7 0.1 . 1 . . . . . . . . 5861 1 747 . 1 1 134 134 THR HA H 1 3.86 0.02 . 1 . . . . . . . . 5861 1 748 . 1 1 135 135 LEU H H 1 8.18 0.02 . 1 . . . . . . . . 5861 1 749 . 1 1 135 135 LEU C C 13 178.1 0.1 . 1 . . . . . . . . 5861 1 750 . 1 1 135 135 LEU CA C 13 55.62 0.1 . 1 . . . . . . . . 5861 1 751 . 1 1 135 135 LEU CB C 13 43.26 0.1 . 1 . . . . . . . . 5861 1 752 . 1 1 135 135 LEU N N 15 126.9 0.1 . 1 . . . . . . . . 5861 1 753 . 1 1 135 135 LEU HA H 1 4.23 0.02 . 1 . . . . . . . . 5861 1 754 . 1 1 136 136 GLY H H 1 8.26 0.02 . 1 . . . . . . . . 5861 1 755 . 1 1 136 136 GLY C C 13 173.0 0.1 . 1 . . . . . . . . 5861 1 756 . 1 1 136 136 GLY CA C 13 44.89 0.1 . 1 . . . . . . . . 5861 1 757 . 1 1 136 136 GLY N N 15 105.9 0.1 . 1 . . . . . . . . 5861 1 758 . 1 1 136 136 GLY HA2 H 1 3.85 0.02 . 2 . . . . . . . . 5861 1 759 . 1 1 137 137 MET H H 1 8.85 0.02 . 1 . . . . . . . . 5861 1 760 . 1 1 137 137 MET C C 13 175.2 0.1 . 1 . . . . . . . . 5861 1 761 . 1 1 137 137 MET CA C 13 55.01 0.1 . 1 . . . . . . . . 5861 1 762 . 1 1 137 137 MET CB C 13 35.88 0.1 . 1 . . . . . . . . 5861 1 763 . 1 1 137 137 MET N N 15 121.0 0.1 . 1 . . . . . . . . 5861 1 764 . 1 1 137 137 MET HA H 1 4.34 0.02 . 1 . . . . . . . . 5861 1 765 . 1 1 138 138 SER H H 1 9.38 0.02 . 1 . . . . . . . . 5861 1 766 . 1 1 138 138 SER C C 13 172.4 0.1 . 1 . . . . . . . . 5861 1 767 . 1 1 138 138 SER CA C 13 57.76 0.1 . 1 . . . . . . . . 5861 1 768 . 1 1 138 138 SER CB C 13 65.59 0.1 . 1 . . . . . . . . 5861 1 769 . 1 1 138 138 SER N N 15 122.0 0.1 . 1 . . . . . . . . 5861 1 770 . 1 1 138 138 SER HA H 1 4.28 0.02 . 1 . . . . . . . . 5861 1 771 . 1 1 139 139 GLU H H 1 8.42 0.02 . 1 . . . . . . . . 5861 1 772 . 1 1 139 139 GLU C C 13 177.3 0.1 . 1 . . . . . . . . 5861 1 773 . 1 1 139 139 GLU CA C 13 57.15 0.1 . 1 . . . . . . . . 5861 1 774 . 1 1 139 139 GLU CB C 13 30.36 0.1 . 1 . . . . . . . . 5861 1 775 . 1 1 139 139 GLU N N 15 120.8 0.1 . 1 . . . . . . . . 5861 1 776 . 1 1 139 139 GLU HA H 1 4.40 0.02 . 1 . . . . . . . . 5861 1 777 . 1 1 140 140 VAL H H 1 8.45 0.02 . 1 . . . . . . . . 5861 1 778 . 1 1 140 140 VAL CA C 13 57.20 0.1 . 1 . . . . . . . . 5861 1 779 . 1 1 140 140 VAL N N 15 109.9 0.1 . 1 . . . . . . . . 5861 1 780 . 1 1 140 140 VAL C C 13 178.0 0.1 . 1 . . . . . . . . 5861 1 781 . 1 1 140 140 VAL HA H 1 4.08 0.02 . 1 . . . . . . . . 5861 1 782 . 1 1 141 141 ASN H H 1 8.88 0.02 . 1 . . . . . . . . 5861 1 783 . 1 1 141 141 ASN N N 15 116.2 0.1 . 1 . . . . . . . . 5861 1 784 . 1 1 141 141 ASN C C 13 176.3 0.1 . 1 . . . . . . . . 5861 1 785 . 1 1 141 141 ASN CA C 13 55.59 0.1 . 1 . . . . . . . . 5861 1 786 . 1 1 141 141 ASN CB C 13 40.04 0.1 . 1 . . . . . . . . 5861 1 787 . 1 1 141 141 ASN HA H 1 4.77 0.02 . 1 . . . . . . . . 5861 1 788 . 1 1 142 142 GLY H H 1 9.05 0.02 . 1 . . . . . . . . 5861 1 789 . 1 1 142 142 GLY C C 13 174.1 0.1 . 1 . . . . . . . . 5861 1 790 . 1 1 142 142 GLY CA C 13 45.35 0.1 . 1 . . . . . . . . 5861 1 791 . 1 1 142 142 GLY N N 15 105.0 0.1 . 1 . . . . . . . . 5861 1 792 . 1 1 142 142 GLY HA2 H 1 3.99 0.02 . 2 . . . . . . . . 5861 1 793 . 1 1 143 143 HIS H H 1 8.09 0.02 . 1 . . . . . . . . 5861 1 794 . 1 1 143 143 HIS CA C 13 52.72 0.1 . 1 . . . . . . . . 5861 1 795 . 1 1 143 143 HIS CB C 13 34.36 0.1 . 1 . . . . . . . . 5861 1 796 . 1 1 143 143 HIS N N 15 123.3 0.1 . 1 . . . . . . . . 5861 1 797 . 1 1 143 143 HIS C C 13 175.5 0.1 . 1 . . . . . . . . 5861 1 798 . 1 1 143 143 HIS HA H 1 4.85 0.02 . 1 . . . . . . . . 5861 1 799 . 1 1 144 144 ALA H H 1 7.30 0.02 . 1 . . . . . . . . 5861 1 800 . 1 1 144 144 ALA C C 13 179.3 0.1 . 1 . . . . . . . . 5861 1 801 . 1 1 144 144 ALA N N 15 119.1 0.1 . 1 . . . . . . . . 5861 1 802 . 1 1 144 144 ALA CA C 13 54.02 0.1 . 1 . . . . . . . . 5861 1 803 . 1 1 144 144 ALA CB C 13 18.35 0.1 . 1 . . . . . . . . 5861 1 804 . 1 1 144 144 ALA HA H 1 4.56 0.02 . 1 . . . . . . . . 5861 1 805 . 1 1 145 145 LEU H H 1 9.57 0.02 . 1 . . . . . . . . 5861 1 806 . 1 1 145 145 LEU C C 13 177.3 0.1 . 1 . . . . . . . . 5861 1 807 . 1 1 145 145 LEU CA C 13 56.13 0.1 . 1 . . . . . . . . 5861 1 808 . 1 1 145 145 LEU CB C 13 40.08 0.1 . 1 . . . . . . . . 5861 1 809 . 1 1 145 145 LEU N N 15 115.5 0.1 . 1 . . . . . . . . 5861 1 810 . 1 1 145 145 LEU HA H 1 4.81 0.02 . 1 . . . . . . . . 5861 1 811 . 1 1 146 146 ILE H H 1 7.55 0.02 . 1 . . . . . . . . 5861 1 812 . 1 1 146 146 ILE C C 13 178.5 0.1 . 1 . . . . . . . . 5861 1 813 . 1 1 146 146 ILE CA C 13 62.39 0.1 . 1 . . . . . . . . 5861 1 814 . 1 1 146 146 ILE CB C 13 38.12 0.1 . 1 . . . . . . . . 5861 1 815 . 1 1 146 146 ILE N N 15 117.8 0.1 . 1 . . . . . . . . 5861 1 816 . 1 1 146 146 ILE HA H 1 4.63 0.02 . 1 . . . . . . . . 5861 1 817 . 1 1 147 147 ARG H H 1 7.60 0.02 . 1 . . . . . . . . 5861 1 818 . 1 1 147 147 ARG C C 13 175.0 0.1 . 1 . . . . . . . . 5861 1 819 . 1 1 147 147 ARG CA C 13 63.51 0.1 . 1 . . . . . . . . 5861 1 820 . 1 1 147 147 ARG CB C 13 24.94 0.1 . 1 . . . . . . . . 5861 1 821 . 1 1 147 147 ARG N N 15 108.4 0.1 . 1 . . . . . . . . 5861 1 822 . 1 1 147 147 ARG HA H 1 5.13 0.02 . 1 . . . . . . . . 5861 1 823 . 1 1 148 148 LEU H H 1 8.57 0.02 . 1 . . . . . . . . 5861 1 824 . 1 1 148 148 LEU C C 13 174.5 0.1 . 1 . . . . . . . . 5861 1 825 . 1 1 148 148 LEU CA C 13 60.76 0.1 . 1 . . . . . . . . 5861 1 826 . 1 1 148 148 LEU CB C 13 40.73 0.1 . 1 . . . . . . . . 5861 1 827 . 1 1 148 148 LEU N N 15 120.5 0.1 . 1 . . . . . . . . 5861 1 828 . 1 1 148 148 LEU HA H 1 4.86 0.02 . 1 . . . . . . . . 5861 1 829 . 1 1 149 149 SER H H 1 8.64 0.02 . 1 . . . . . . . . 5861 1 830 . 1 1 149 149 SER C C 13 173.4 0.1 . 1 . . . . . . . . 5861 1 831 . 1 1 149 149 SER CA C 13 51.40 0.1 . 1 . . . . . . . . 5861 1 832 . 1 1 149 149 SER CB C 13 68.11 0.1 . 1 . . . . . . . . 5861 1 833 . 1 1 149 149 SER N N 15 125.7 0.1 . 1 . . . . . . . . 5861 1 834 . 1 1 149 149 SER HA H 1 4.84 0.02 . 1 . . . . . . . . 5861 1 835 . 1 1 150 150 ALA H H 1 7.95 0.02 . 1 . . . . . . . . 5861 1 836 . 1 1 150 150 ALA C C 13 176.7 0.1 . 1 . . . . . . . . 5861 1 837 . 1 1 150 150 ALA CA C 13 54.35 0.1 . 1 . . . . . . . . 5861 1 838 . 1 1 150 150 ALA N N 15 131.3 0.1 . 1 . . . . . . . . 5861 1 839 . 1 1 150 150 ALA HA H 1 4.06 0.02 . 1 . . . . . . . . 5861 1 840 . 1 1 151 151 ARG H H 1 8.20 0.02 . 1 . . . . . . . . 5861 1 841 . 1 1 151 151 ARG C C 13 174.9 0.1 . 1 . . . . . . . . 5861 1 842 . 1 1 151 151 ARG CA C 13 60.51 0.1 . 1 . . . . . . . . 5861 1 843 . 1 1 151 151 ARG CB C 13 34.01 0.1 . 1 . . . . . . . . 5861 1 844 . 1 1 151 151 ARG N N 15 108.8 0.1 . 1 . . . . . . . . 5861 1 845 . 1 1 151 151 ARG HA H 1 4.41 0.02 . 1 . . . . . . . . 5861 1 846 . 1 1 152 152 THR H H 1 8.78 0.02 . 1 . . . . . . . . 5861 1 847 . 1 1 152 152 THR CA C 13 59.85 0.1 . 1 . . . . . . . . 5861 1 848 . 1 1 152 152 THR N N 15 120.2 0.1 . 1 . . . . . . . . 5861 1 849 . 1 1 152 152 THR C C 13 179.1 0.1 . 1 . . . . . . . . 5861 1 850 . 1 1 152 152 THR HA H 1 4.19 0.02 . 1 . . . . . . . . 5861 1 851 . 1 1 153 153 GLY H H 1 8.14 0.02 . 1 . . . . . . . . 5861 1 852 . 1 1 153 153 GLY N N 15 116.2 0.1 . 1 . . . . . . . . 5861 1 853 . 1 1 153 153 GLY C C 13 178.2 0.1 . 1 . . . . . . . . 5861 1 854 . 1 1 153 153 GLY CA C 13 42.5 0.1 . 1 . . . . . . . . 5861 1 855 . 1 1 153 153 GLY HA2 H 1 3.98 0.02 . 2 . . . . . . . . 5861 1 856 . 1 1 154 154 GLU H H 1 8.41 0.02 . 1 . . . . . . . . 5861 1 857 . 1 1 154 154 GLU N N 15 120.4 0.1 . 1 . . . . . . . . 5861 1 858 . 1 1 154 154 GLU C C 13 175.4 0.1 . 1 . . . . . . . . 5861 1 859 . 1 1 154 154 GLU CA C 13 55.9 0.1 . 1 . . . . . . . . 5861 1 860 . 1 1 154 154 GLU CB C 13 27.2 0.1 . 1 . . . . . . . . 5861 1 861 . 1 1 154 154 GLU HA H 1 4.03 0.02 . 1 . . . . . . . . 5861 1 862 . 1 1 155 155 GLY H H 1 7.39 0.02 . 1 . . . . . . . . 5861 1 863 . 1 1 155 155 GLY N N 15 120.4 0.1 . 1 . . . . . . . . 5861 1 864 . 1 1 155 155 GLY C C 13 176.3 0.1 . 1 . . . . . . . . 5861 1 865 . 1 1 155 155 GLY CA C 13 43.6 0.1 . 1 . . . . . . . . 5861 1 866 . 1 1 155 155 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 5861 1 867 . 1 1 156 156 VAL C C 13 177.7 0.1 . 1 . . . . . . . . 5861 1 868 . 1 1 156 156 VAL CA C 13 66.66 0.1 . 1 . . . . . . . . 5861 1 869 . 1 1 156 156 VAL CB C 13 31.23 0.1 . 1 . . . . . . . . 5861 1 870 . 1 1 156 156 VAL HA H 1 3.83 0.02 . 1 . . . . . . . . 5861 1 871 . 1 1 157 157 ASP H H 1 9.07 0.02 . 1 . . . . . . . . 5861 1 872 . 1 1 157 157 ASP C C 13 178.4 0.1 . 1 . . . . . . . . 5861 1 873 . 1 1 157 157 ASP CA C 13 57.61 0.1 . 1 . . . . . . . . 5861 1 874 . 1 1 157 157 ASP CB C 13 39.15 0.1 . 1 . . . . . . . . 5861 1 875 . 1 1 157 157 ASP N N 15 120.9 0.1 . 1 . . . . . . . . 5861 1 876 . 1 1 157 157 ASP HA H 1 4.54 0.02 . 1 . . . . . . . . 5861 1 877 . 1 1 158 158 VAL H H 1 7.34 0.02 . 1 . . . . . . . . 5861 1 878 . 1 1 158 158 VAL C C 13 179.5 0.1 . 1 . . . . . . . . 5861 1 879 . 1 1 158 158 VAL CA C 13 66.00 0.1 . 1 . . . . . . . . 5861 1 880 . 1 1 158 158 VAL CB C 13 31.67 0.1 . 1 . . . . . . . . 5861 1 881 . 1 1 158 158 VAL N N 15 121.6 0.1 . 1 . . . . . . . . 5861 1 882 . 1 1 158 158 VAL HA H 1 3.65 0.02 . 1 . . . . . . . . 5861 1 883 . 1 1 159 159 LEU H H 1 7.15 0.02 . 1 . . . . . . . . 5861 1 884 . 1 1 159 159 LEU C C 13 177.8 0.1 . 1 . . . . . . . . 5861 1 885 . 1 1 159 159 LEU CA C 13 58.42 0.1 . 1 . . . . . . . . 5861 1 886 . 1 1 159 159 LEU CB C 13 41.48 0.1 . 1 . . . . . . . . 5861 1 887 . 1 1 159 159 LEU N N 15 120.1 0.1 . 1 . . . . . . . . 5861 1 888 . 1 1 159 159 LEU HA H 1 4.07 0.02 . 1 . . . . . . . . 5861 1 889 . 1 1 160 160 ARG H H 1 8.63 0.02 . 1 . . . . . . . . 5861 1 890 . 1 1 160 160 ARG C C 13 174.8 0.1 . 1 . . . . . . . . 5861 1 891 . 1 1 160 160 ARG CA C 13 61.44 0.1 . 1 . . . . . . . . 5861 1 892 . 1 1 160 160 ARG N N 15 119.6 0.1 . 1 . . . . . . . . 5861 1 893 . 1 1 160 160 ARG HA H 1 4.02 0.02 . 1 . . . . . . . . 5861 1 894 . 1 1 161 161 ASN H H 1 8.04 0.02 . 1 . . . . . . . . 5861 1 895 . 1 1 161 161 ASN C C 13 178.0 0.1 . 1 . . . . . . . . 5861 1 896 . 1 1 161 161 ASN CA C 13 56.22 0.1 . 1 . . . . . . . . 5861 1 897 . 1 1 161 161 ASN CB C 13 38.93 0.1 . 1 . . . . . . . . 5861 1 898 . 1 1 161 161 ASN N N 15 119.8 0.1 . 1 . . . . . . . . 5861 1 899 . 1 1 161 161 ASN HA H 1 4.36 0.02 . 1 . . . . . . . . 5861 1 900 . 1 1 162 162 HIS H H 1 8.37 0.02 . 1 . . . . . . . . 5861 1 901 . 1 1 162 162 HIS C C 13 178.8 0.1 . 1 . . . . . . . . 5861 1 902 . 1 1 162 162 HIS CA C 13 58.22 0.1 . 1 . . . . . . . . 5861 1 903 . 1 1 162 162 HIS CB C 13 30.91 0.1 . 1 . . . . . . . . 5861 1 904 . 1 1 162 162 HIS N N 15 120.3 0.1 . 1 . . . . . . . . 5861 1 905 . 1 1 162 162 HIS HA H 1 4.10 0.02 . 1 . . . . . . . . 5861 1 906 . 1 1 163 163 LEU H H 1 8.50 0.02 . 1 . . . . . . . . 5861 1 907 . 1 1 163 163 LEU CA C 13 58.32 0.1 . 1 . . . . . . . . 5861 1 908 . 1 1 163 163 LEU N N 15 121.8 0.1 . 1 . . . . . . . . 5861 1 909 . 1 1 163 163 LEU HA H 1 4.09 0.02 . 1 . . . . . . . . 5861 1 910 . 1 1 164 164 LYS C C 13 179.4 0.1 . 1 . . . . . . . . 5861 1 911 . 1 1 164 164 LYS CA C 13 60.24 0.1 . 1 . . . . . . . . 5861 1 912 . 1 1 164 164 LYS HA H 1 3.90 0.02 . 1 . . . . . . . . 5861 1 913 . 1 1 165 165 GLN H H 1 8.21 0.02 . 1 . . . . . . . . 5861 1 914 . 1 1 165 165 GLN C C 13 179.0 0.1 . 1 . . . . . . . . 5861 1 915 . 1 1 165 165 GLN CA C 13 58.42 0.1 . 1 . . . . . . . . 5861 1 916 . 1 1 165 165 GLN CB C 13 28.77 0.1 . 1 . . . . . . . . 5861 1 917 . 1 1 165 165 GLN N N 15 117.4 0.1 . 1 . . . . . . . . 5861 1 918 . 1 1 165 165 GLN HA H 1 3.95 0.02 . 1 . . . . . . . . 5861 1 919 . 1 1 166 166 SER H H 1 7.85 0.02 . 1 . . . . . . . . 5861 1 920 . 1 1 166 166 SER C C 13 175.1 0.1 . 1 . . . . . . . . 5861 1 921 . 1 1 166 166 SER CA C 13 60.86 0.1 . 1 . . . . . . . . 5861 1 922 . 1 1 166 166 SER CB C 13 63.53 0.1 . 1 . . . . . . . . 5861 1 923 . 1 1 166 166 SER N N 15 114.4 0.1 . 1 . . . . . . . . 5861 1 924 . 1 1 166 166 SER HA H 1 4.13 0.02 . 1 . . . . . . . . 5861 1 925 . 1 1 167 167 MET H H 1 7.39 0.02 . 1 . . . . . . . . 5861 1 926 . 1 1 167 167 MET C C 13 176.9 0.1 . 1 . . . . . . . . 5861 1 927 . 1 1 167 167 MET CA C 13 56.08 0.1 . 1 . . . . . . . . 5861 1 928 . 1 1 167 167 MET CB C 13 33.17 0.1 . 1 . . . . . . . . 5861 1 929 . 1 1 167 167 MET N N 15 120.0 0.1 . 1 . . . . . . . . 5861 1 930 . 1 1 167 167 MET HA H 1 4.08 0.02 . 1 . . . . . . . . 5861 1 931 . 1 1 168 168 GLY H H 1 7.93 0.02 . 1 . . . . . . . . 5861 1 932 . 1 1 168 168 GLY CA C 13 46.06 0.1 . 1 . . . . . . . . 5861 1 933 . 1 1 168 168 GLY N N 15 107.9 0.1 . 1 . . . . . . . . 5861 1 934 . 1 1 168 168 GLY HA2 H 1 3.84 0.02 . 2 . . . . . . . . 5861 1 935 . 1 1 169 169 ILE C C 13 177.2 0.1 . 1 . . . . . . . . 5861 1 936 . 1 1 169 169 ILE CA C 13 57.17 0.1 . 1 . . . . . . . . 5861 1 937 . 1 1 169 169 ILE CB C 13 44.10 0.1 . 1 . . . . . . . . 5861 1 938 . 1 1 169 169 ILE HA H 1 3.73 0.02 . 1 . . . . . . . . 5861 1 939 . 1 1 170 170 HIS H H 1 7.51 0.02 . 1 . . . . . . . . 5861 1 940 . 1 1 170 170 HIS C C 13 173.6 0.1 . 1 . . . . . . . . 5861 1 941 . 1 1 170 170 HIS CA C 13 56.23 0.1 . 1 . . . . . . . . 5861 1 942 . 1 1 170 170 HIS CB C 13 34.47 0.1 . 1 . . . . . . . . 5861 1 943 . 1 1 170 170 HIS N N 15 115.3 0.1 . 1 . . . . . . . . 5861 1 944 . 1 1 170 170 HIS HA H 1 4.60 0.02 . 1 . . . . . . . . 5861 1 945 . 1 1 171 171 ARG H H 1 8.68 0.02 . 1 . . . . . . . . 5861 1 946 . 1 1 171 171 ARG CA C 13 56.03 0.1 . 1 . . . . . . . . 5861 1 947 . 1 1 171 171 ARG CB C 13 34.44 0.1 . 1 . . . . . . . . 5861 1 948 . 1 1 171 171 ARG N N 15 124.2 0.1 . 1 . . . . . . . . 5861 1 949 . 1 1 171 171 ARG HA H 1 4.23 0.02 . 1 . . . . . . . . 5861 1 950 . 1 1 172 172 ASP HA H 1 4.54 0.02 . 1 . . . . . . . . 5861 1 stop_ save_