data_7359 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7359 _Entry.Title ; 1H, 15N and 13C chemical shift assignments for reduced and oxidised forms of the DsbA oxidoreductase from Vibrio cholerae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-10 _Entry.Accession_date 2007-01-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Henry Horne . J. . 7359 2 Martin Scanlon . J. . 7359 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7359 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 526 7359 '15N chemical shifts' 182 7359 '1H chemical shifts' 1157 7359 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-08-31 2007-01-10 update BMRB 'complete entry citation' 7359 1 . . 2007-06-26 2007-01-10 original author 'original release' 7359 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7360 'DsbA oxidoreductase, reduced form' 7359 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7359 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636831 _Citation.Full_citation . _Citation.Title 'Backbone and side chain 1H, 15N and 13C assignments for the reduced form of the oxidoreductase protein DsbA from Vibrio cholerae' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 1 _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 75 _Citation.Page_last 76 _Citation.Year 2007 _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 James Horne . . . 7359 1 2 Martin Scanlon . J. . 7359 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID akaike 7359 1 DsbA 7359 1 oxidoreductase 7359 1 relaxation 7359 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7359 _Assembly.ID 1 _Assembly.Name 'DsbA oxidoreductase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 20500 _Assembly.Enzyme_commission_number 5.3.4.1 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7359 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 DsbA 1 $DsbA . . yes native no no . 'disulphide isomerase' . 7359 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 30 30 SG . 1 . 1 CYS 33 33 SG . . . . . . . . . . 7359 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID 'protein disulfide-isomerase dsba' . 7359 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'protein disulfide isomerase' 7359 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DsbA _Entity.Sf_category entity _Entity.Sf_framecode DsbA _Entity.Entry_ID 7359 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DsbA protein disulfide isomerase' _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 ; AQFKEGEHYQVLKTPASSSP VVSEFFSFYCPHCNTFEPII AQLKQQLPEGAKFQKNHVSF MGGNMGQAMSKAYATMIALE VEDKMVPVMFNRIHTLRKPP KDEQELRQIFLDEGIDAAKF DAAYNGFAVDSMVRRFDKQF QDSGLTGVPAVVVNNRYLVQ GQSAKSLDEYFDLVNYLLTL K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'V148A cloning artefact in original clone gifted to this laboratory' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 181 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20443.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Formula weight calculated for reduced DsbA assuming the presence of a single thiolate anion' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 7360 . "DsbA protein disulfide isomerase" . . . . . 100.00 181 99.45 99.45 2.02e-130 . . . . 7359 1 2 no PDB 1BED . "Structure Of Disulfide Oxidoreductase" . . . . . 100.00 181 99.45 99.45 2.38e-130 . . . . 7359 1 3 no PDB 2IJY . "Nmr Structure Ensemble For The Reduced Dsba Disulphide Oxidoreductase From Vibrio Cholerae" . . . . . 100.00 181 100.00 100.00 4.61e-131 . . . . 7359 1 4 no PDB 4DVC . "Structural And Functional Studies Of Tcpg, The Vibrio Cholerae Dsba Disulfide-Forming Protein Required For Pilus And Cholera To" . . . . . 100.00 184 99.45 99.45 3.25e-130 . . . . 7359 1 5 no DBJ BAP04237 . "periplasmic thiol:disulfide interchange protein DsbA [Vibrio cholerae MS6]" . . . . . 100.00 200 99.45 99.45 4.97e-131 . . . . 7359 1 6 no EMBL CAA45977 . "DsbA protein [Vibrio cholerae]" . . . . . 100.00 200 98.90 99.45 2.86e-130 . . . . 7359 1 7 no GB AAA27568 . "disulfide isomerase [Vibrio cholerae]" . . . . . 100.00 200 99.45 99.45 4.97e-131 . . . . 7359 1 8 no GB AAF93212 . "thiol:disulfide interchange protein [Vibrio cholerae O1 biovar El Tor str. N16961]" . . . . . 100.00 200 98.90 99.45 2.86e-130 . . . . 7359 1 9 no GB ABQ20372 . "thiol:disulfide interchange protein [Vibrio cholerae O395]" . . . . . 100.00 200 99.45 99.45 4.97e-131 . . . . 7359 1 10 no GB ACP04371 . "thiol:disulfide interchange protein [Vibrio cholerae M66-2]" . . . . . 100.00 200 99.45 99.45 4.97e-131 . . . . 7359 1 11 no GB ACP08173 . "thiol:disulfide interchange protein [Vibrio cholerae O395]" . . . . . 100.00 200 99.45 99.45 4.97e-131 . . . . 7359 1 12 no REF NP_229693 . "thiol:disulfide interchange protein [Vibrio cholerae O1 biovar El Tor str. N16961]" . . . . . 100.00 200 98.90 99.45 2.86e-130 . . . . 7359 1 13 no REF WP_000732279 . "thiol:disulfide interchange protein [Vibrio cholerae]" . . . . . 100.00 200 98.90 99.45 2.86e-130 . . . . 7359 1 14 no REF WP_000732281 . "thiol:disulfide interchange protein [Vibrio cholerae]" . . . . . 100.00 200 98.90 98.90 7.08e-130 . . . . 7359 1 15 no REF WP_000732282 . "MULTISPECIES: thiol:disulfide interchange protein [Vibrio]" . . . . . 100.00 200 99.45 99.45 4.97e-131 . . . . 7359 1 16 no REF WP_000732283 . "thiol:disulfide interchange protein [Vibrio cholerae]" . . . . . 100.00 200 98.90 98.90 3.63e-130 . . . . 7359 1 17 no SP P32557 . "RecName: Full=Thiol:disulfide interchange protein DsbA; Flags: Precursor [Vibrio cholerae O1 biovar El Tor str. N16961]" . . . . . 100.00 200 98.90 99.45 2.86e-130 . . . . 7359 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 7359 1 2 . GLN . 7359 1 3 . PHE . 7359 1 4 . LYS . 7359 1 5 . GLU . 7359 1 6 . GLY . 7359 1 7 . GLU . 7359 1 8 . HIS . 7359 1 9 . TYR . 7359 1 10 . GLN . 7359 1 11 . VAL . 7359 1 12 . LEU . 7359 1 13 . LYS . 7359 1 14 . THR . 7359 1 15 . PRO . 7359 1 16 . ALA . 7359 1 17 . SER . 7359 1 18 . SER . 7359 1 19 . SER . 7359 1 20 . PRO . 7359 1 21 . VAL . 7359 1 22 . VAL . 7359 1 23 . SER . 7359 1 24 . GLU . 7359 1 25 . PHE . 7359 1 26 . PHE . 7359 1 27 . SER . 7359 1 28 . PHE . 7359 1 29 . TYR . 7359 1 30 . CYS . 7359 1 31 . PRO . 7359 1 32 . HIS . 7359 1 33 . CYS . 7359 1 34 . ASN . 7359 1 35 . THR . 7359 1 36 . PHE . 7359 1 37 . GLU . 7359 1 38 . PRO . 7359 1 39 . ILE . 7359 1 40 . ILE . 7359 1 41 . ALA . 7359 1 42 . GLN . 7359 1 43 . LEU . 7359 1 44 . LYS . 7359 1 45 . GLN . 7359 1 46 . GLN . 7359 1 47 . LEU . 7359 1 48 . PRO . 7359 1 49 . GLU . 7359 1 50 . GLY . 7359 1 51 . ALA . 7359 1 52 . LYS . 7359 1 53 . PHE . 7359 1 54 . GLN . 7359 1 55 . LYS . 7359 1 56 . ASN . 7359 1 57 . HIS . 7359 1 58 . VAL . 7359 1 59 . SER . 7359 1 60 . PHE . 7359 1 61 . MET . 7359 1 62 . GLY . 7359 1 63 . GLY . 7359 1 64 . ASN . 7359 1 65 . MET . 7359 1 66 . GLY . 7359 1 67 . GLN . 7359 1 68 . ALA . 7359 1 69 . MET . 7359 1 70 . SER . 7359 1 71 . LYS . 7359 1 72 . ALA . 7359 1 73 . TYR . 7359 1 74 . ALA . 7359 1 75 . THR . 7359 1 76 . MET . 7359 1 77 . ILE . 7359 1 78 . ALA . 7359 1 79 . LEU . 7359 1 80 . GLU . 7359 1 81 . VAL . 7359 1 82 . GLU . 7359 1 83 . ASP . 7359 1 84 . LYS . 7359 1 85 . MET . 7359 1 86 . VAL . 7359 1 87 . PRO . 7359 1 88 . VAL . 7359 1 89 . MET . 7359 1 90 . PHE . 7359 1 91 . ASN . 7359 1 92 . ARG . 7359 1 93 . ILE . 7359 1 94 . HIS . 7359 1 95 . THR . 7359 1 96 . LEU . 7359 1 97 . ARG . 7359 1 98 . LYS . 7359 1 99 . PRO . 7359 1 100 . PRO . 7359 1 101 . LYS . 7359 1 102 . ASP . 7359 1 103 . GLU . 7359 1 104 . GLN . 7359 1 105 . GLU . 7359 1 106 . LEU . 7359 1 107 . ARG . 7359 1 108 . GLN . 7359 1 109 . ILE . 7359 1 110 . PHE . 7359 1 111 . LEU . 7359 1 112 . ASP . 7359 1 113 . GLU . 7359 1 114 . GLY . 7359 1 115 . ILE . 7359 1 116 . ASP . 7359 1 117 . ALA . 7359 1 118 . ALA . 7359 1 119 . LYS . 7359 1 120 . PHE . 7359 1 121 . ASP . 7359 1 122 . ALA . 7359 1 123 . ALA . 7359 1 124 . TYR . 7359 1 125 . ASN . 7359 1 126 . GLY . 7359 1 127 . PHE . 7359 1 128 . ALA . 7359 1 129 . VAL . 7359 1 130 . ASP . 7359 1 131 . SER . 7359 1 132 . MET . 7359 1 133 . VAL . 7359 1 134 . ARG . 7359 1 135 . ARG . 7359 1 136 . PHE . 7359 1 137 . ASP . 7359 1 138 . LYS . 7359 1 139 . GLN . 7359 1 140 . PHE . 7359 1 141 . GLN . 7359 1 142 . ASP . 7359 1 143 . SER . 7359 1 144 . GLY . 7359 1 145 . LEU . 7359 1 146 . THR . 7359 1 147 . GLY . 7359 1 148 . VAL . 7359 1 149 . PRO . 7359 1 150 . ALA . 7359 1 151 . VAL . 7359 1 152 . VAL . 7359 1 153 . VAL . 7359 1 154 . ASN . 7359 1 155 . ASN . 7359 1 156 . ARG . 7359 1 157 . TYR . 7359 1 158 . LEU . 7359 1 159 . VAL . 7359 1 160 . GLN . 7359 1 161 . GLY . 7359 1 162 . GLN . 7359 1 163 . SER . 7359 1 164 . ALA . 7359 1 165 . LYS . 7359 1 166 . SER . 7359 1 167 . LEU . 7359 1 168 . ASP . 7359 1 169 . GLU . 7359 1 170 . TYR . 7359 1 171 . PHE . 7359 1 172 . ASP . 7359 1 173 . LEU . 7359 1 174 . VAL . 7359 1 175 . ASN . 7359 1 176 . TYR . 7359 1 177 . LEU . 7359 1 178 . LEU . 7359 1 179 . THR . 7359 1 180 . LEU . 7359 1 181 . LYS . 7359 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 7359 1 . GLN 2 2 7359 1 . PHE 3 3 7359 1 . LYS 4 4 7359 1 . GLU 5 5 7359 1 . GLY 6 6 7359 1 . GLU 7 7 7359 1 . HIS 8 8 7359 1 . TYR 9 9 7359 1 . GLN 10 10 7359 1 . VAL 11 11 7359 1 . LEU 12 12 7359 1 . LYS 13 13 7359 1 . THR 14 14 7359 1 . PRO 15 15 7359 1 . ALA 16 16 7359 1 . SER 17 17 7359 1 . SER 18 18 7359 1 . SER 19 19 7359 1 . PRO 20 20 7359 1 . VAL 21 21 7359 1 . VAL 22 22 7359 1 . SER 23 23 7359 1 . GLU 24 24 7359 1 . PHE 25 25 7359 1 . PHE 26 26 7359 1 . SER 27 27 7359 1 . PHE 28 28 7359 1 . TYR 29 29 7359 1 . CYS 30 30 7359 1 . PRO 31 31 7359 1 . HIS 32 32 7359 1 . CYS 33 33 7359 1 . ASN 34 34 7359 1 . THR 35 35 7359 1 . PHE 36 36 7359 1 . GLU 37 37 7359 1 . PRO 38 38 7359 1 . ILE 39 39 7359 1 . ILE 40 40 7359 1 . ALA 41 41 7359 1 . GLN 42 42 7359 1 . LEU 43 43 7359 1 . LYS 44 44 7359 1 . GLN 45 45 7359 1 . GLN 46 46 7359 1 . LEU 47 47 7359 1 . PRO 48 48 7359 1 . GLU 49 49 7359 1 . GLY 50 50 7359 1 . ALA 51 51 7359 1 . LYS 52 52 7359 1 . PHE 53 53 7359 1 . GLN 54 54 7359 1 . LYS 55 55 7359 1 . ASN 56 56 7359 1 . HIS 57 57 7359 1 . VAL 58 58 7359 1 . SER 59 59 7359 1 . PHE 60 60 7359 1 . MET 61 61 7359 1 . GLY 62 62 7359 1 . GLY 63 63 7359 1 . ASN 64 64 7359 1 . MET 65 65 7359 1 . GLY 66 66 7359 1 . GLN 67 67 7359 1 . ALA 68 68 7359 1 . MET 69 69 7359 1 . SER 70 70 7359 1 . LYS 71 71 7359 1 . ALA 72 72 7359 1 . TYR 73 73 7359 1 . ALA 74 74 7359 1 . THR 75 75 7359 1 . MET 76 76 7359 1 . ILE 77 77 7359 1 . ALA 78 78 7359 1 . LEU 79 79 7359 1 . GLU 80 80 7359 1 . VAL 81 81 7359 1 . GLU 82 82 7359 1 . ASP 83 83 7359 1 . LYS 84 84 7359 1 . MET 85 85 7359 1 . VAL 86 86 7359 1 . PRO 87 87 7359 1 . VAL 88 88 7359 1 . MET 89 89 7359 1 . PHE 90 90 7359 1 . ASN 91 91 7359 1 . ARG 92 92 7359 1 . ILE 93 93 7359 1 . HIS 94 94 7359 1 . THR 95 95 7359 1 . LEU 96 96 7359 1 . ARG 97 97 7359 1 . LYS 98 98 7359 1 . PRO 99 99 7359 1 . PRO 100 100 7359 1 . LYS 101 101 7359 1 . ASP 102 102 7359 1 . GLU 103 103 7359 1 . GLN 104 104 7359 1 . GLU 105 105 7359 1 . LEU 106 106 7359 1 . ARG 107 107 7359 1 . GLN 108 108 7359 1 . ILE 109 109 7359 1 . PHE 110 110 7359 1 . LEU 111 111 7359 1 . ASP 112 112 7359 1 . GLU 113 113 7359 1 . GLY 114 114 7359 1 . ILE 115 115 7359 1 . ASP 116 116 7359 1 . ALA 117 117 7359 1 . ALA 118 118 7359 1 . LYS 119 119 7359 1 . PHE 120 120 7359 1 . ASP 121 121 7359 1 . ALA 122 122 7359 1 . ALA 123 123 7359 1 . TYR 124 124 7359 1 . ASN 125 125 7359 1 . GLY 126 126 7359 1 . PHE 127 127 7359 1 . ALA 128 128 7359 1 . VAL 129 129 7359 1 . ASP 130 130 7359 1 . SER 131 131 7359 1 . MET 132 132 7359 1 . VAL 133 133 7359 1 . ARG 134 134 7359 1 . ARG 135 135 7359 1 . PHE 136 136 7359 1 . ASP 137 137 7359 1 . LYS 138 138 7359 1 . GLN 139 139 7359 1 . PHE 140 140 7359 1 . GLN 141 141 7359 1 . ASP 142 142 7359 1 . SER 143 143 7359 1 . GLY 144 144 7359 1 . LEU 145 145 7359 1 . THR 146 146 7359 1 . GLY 147 147 7359 1 . VAL 148 148 7359 1 . PRO 149 149 7359 1 . ALA 150 150 7359 1 . VAL 151 151 7359 1 . VAL 152 152 7359 1 . VAL 153 153 7359 1 . ASN 154 154 7359 1 . ASN 155 155 7359 1 . ARG 156 156 7359 1 . TYR 157 157 7359 1 . LEU 158 158 7359 1 . VAL 159 159 7359 1 . GLN 160 160 7359 1 . GLY 161 161 7359 1 . GLN 162 162 7359 1 . SER 163 163 7359 1 . ALA 164 164 7359 1 . LYS 165 165 7359 1 . SER 166 166 7359 1 . LEU 167 167 7359 1 . ASP 168 168 7359 1 . GLU 169 169 7359 1 . TYR 170 170 7359 1 . PHE 171 171 7359 1 . ASP 172 172 7359 1 . LEU 173 173 7359 1 . VAL 174 174 7359 1 . ASN 175 175 7359 1 . TYR 176 176 7359 1 . LEU 177 177 7359 1 . LEU 178 178 7359 1 . THR 179 179 7359 1 . LEU 180 180 7359 1 . LYS 181 181 7359 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 7359 _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 $DsbA . 666 . yes . cholera . . Eukaryota 'Not applicable' Vibrio cholerae . . . . . . . . . . . . . . . . . . . . . 7359 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 7359 _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 $DsbA . 'recombinant technology' . 'E. coli' 'E. coli' . . . 'BL21 DE3 PLYSS' . . . . . . . . . . . . plasmid . . pKc-type pKc-type . . . . . 7359 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample-DsbA-oxidised _Sample.Sf_category sample _Sample.Sf_framecode sample-DsbA-oxidised _Sample.Entry_ID 7359 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10mM HEPES 50mM NaCl pH 6.8' _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 'DsbA - Bacterial oxidoreductase' '[U-95% 13C; U-90% 15N]' . . 1 $DsbA . protein 0.3 . . mM . . . . 7359 1 2 HEPES . . . . . . . 10 . . mM . . . . 7359 1 3 NaCl . . . . . . . 50 . . mM . . . . 7359 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7359 _Sample_condition_list.ID 1 _Sample_condition_list.Details '300uM DsbA in 10mM HEPES 50mM NaCl pH 6.8 at 300K' 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 . pH 7359 1 temperature 300 0.2 K 7359 1 stop_ save_ save_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_2 _Sample_condition_list.Entry_ID 7359 _Sample_condition_list.ID 2 _Sample_condition_list.Details '300uM DsbA in 10mM HEPES 50mM NaCl pH 6.8 at 320K' 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 . pH 7359 2 temperature 320 0.2 K 7359 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 7359 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details 'data visualisation' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID UCSF . . 7359 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data visualisation' 7359 1 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 7359 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details 'data processing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 7359 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 7359 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_VARIAN600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode VARIAN600 _NMR_spectrometer.Entry_ID 7359 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'RT probe' _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_BRUKER500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode BRUKER500 _NMR_spectrometer.Entry_ID 7359 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7359 _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 13C_1H-HSQC no . . . . . . . . . . 1 $sample-DsbA-oxidised . . . . . . . . . . . . . . . . . . . . . . . . . . 7359 1 2 15N_1H-HSQC no . . . . . . . . . . 1 $sample-DsbA-oxidised . . . . . . . . . . . . . . . . . . . . . . . . . . 7359 1 3 CBCACONNH no . . . . . . . . . . 1 $sample-DsbA-oxidised . . . . . . . . . . . . . . . . . . . . . . . . . . 7359 1 4 HNCACB no . . . . . . . . . . 1 $sample-DsbA-oxidised . . . . . . . . . . . . . . . . . . . . . . . . . . 7359 1 5 HNCA no . . . . . . . . . . 1 $sample-DsbA-oxidised . . . . . . . . . . . . . . . . . . . . . . . . . . 7359 1 6 HNCO no . . . . . . . . . . 1 $sample-DsbA-oxidised . . . . . . . . . . . . . . . . . . . . . . . . . . 7359 1 7 HNCACO no . . . . . . . . . . 1 $sample-DsbA-oxidised . . . . . . . . . . . . . . . . . . . . . . . . . . 7359 1 8 CCONHTOCSY no . . . . . . . . . . 1 $sample-DsbA-oxidised . . . . . . . . . . . . . . . . . . . . . . . . . . 7359 1 9 HCCONHTOCSY no . . . . . . . . . . 1 $sample-DsbA-oxidised . . . . . . . . . . . . . . . . . . . . . . . . . . 7359 1 10 HCCH-TOCSY no . . . . . . . . . . 1 $sample-DsbA-oxidised . . . . . . . . . . . . . . . . . . . . . . . . . . 7359 1 11 13C-NOESY-HSQC no . . . . . . . . . . 1 $sample-DsbA-oxidised . . . . . . . . . . . . . . . . . . . . . . . . . . 7359 1 stop_ save_ save_13C_1H-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_1H-HSQC _NMR_spec_expt.Entry_ID 7359 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 13C_1H-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_1H-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_1H-HSQC _NMR_spec_expt.Entry_ID 7359 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 15N_1H-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCACONNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONNH _NMR_spec_expt.Entry_ID 7359 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 7359 _NMR_spec_expt.ID 4 _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 . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 7359 _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 . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7359 _NMR_spec_expt.ID 6 _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 . save_ save_HNCACO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACO _NMR_spec_expt.Entry_ID 7359 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CCONHTOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CCONHTOCSY _NMR_spec_expt.Entry_ID 7359 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CCONHTOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCONHTOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCONHTOCSY _NMR_spec_expt.Entry_ID 7359 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCONHTOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 7359 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C-NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C-NOESY-HSQC _NMR_spec_expt.Entry_ID 7359 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 13C-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7359 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7359 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7359 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7359 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_Dsba-oxidised _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Dsba-oxidised _Assigned_chem_shift_list.Entry_ID 7359 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.04 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 'Dsba in the oxidised form with C30-C33 disulphide' _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-DsbA-oxidised isotropic 7359 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 7359 1 2 $NMRPIPE . . 7359 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 ALA CA C 13 50.372 0.400 . 1 . . . . 1 ALA CA . 7359 1 2 . 1 1 1 1 ALA CB C 13 16.320 0.400 . 1 . . . . 1 ALA CB . 7359 1 3 . 1 1 2 2 GLN H H 1 7.965 0.040 . 1 . . . . 2 GLN H . 7359 1 4 . 1 1 2 2 GLN HA H 1 4.112 0.040 . 1 . . . . 2 GLN HA . 7359 1 5 . 1 1 2 2 GLN HB2 H 1 1.785 0.040 . 2 . . . . 2 GLN HB2 . 7359 1 6 . 1 1 2 2 GLN HB3 H 1 1.793 0.040 . 2 . . . . 2 GLN HB3 . 7359 1 7 . 1 1 2 2 GLN HG2 H 1 2.206 0.040 . 2 . . . . 2 GLN HG2 . 7359 1 8 . 1 1 2 2 GLN HG3 H 1 1.982 0.040 . 2 . . . . 2 GLN HG3 . 7359 1 9 . 1 1 2 2 GLN CA C 13 53.287 0.400 . 1 . . . . 2 GLN CA . 7359 1 10 . 1 1 2 2 GLN CB C 13 26.638 0.400 . 1 . . . . 2 GLN CB . 7359 1 11 . 1 1 2 2 GLN CG C 13 30.872 0.400 . 1 . . . . 2 GLN CG . 7359 1 12 . 1 1 2 2 GLN N N 15 118.113 0.400 . 1 . . . . 2 GLN N . 7359 1 13 . 1 1 3 3 PHE H H 1 7.231 0.040 . 1 . . . . 3 PHE H . 7359 1 14 . 1 1 3 3 PHE HA H 1 4.744 0.040 . 1 . . . . 3 PHE HA . 7359 1 15 . 1 1 3 3 PHE HB2 H 1 2.870 0.040 . 2 . . . . 3 PHE HB2 . 7359 1 16 . 1 1 3 3 PHE HB3 H 1 2.449 0.040 . 2 . . . . 3 PHE HB3 . 7359 1 17 . 1 1 3 3 PHE HD1 H 1 6.209 0.040 . 1 . . . . 3 PHE HD1 . 7359 1 18 . 1 1 3 3 PHE HD2 H 1 6.209 0.040 . 1 . . . . 3 PHE HD2 . 7359 1 19 . 1 1 3 3 PHE HZ H 1 6.222 0.040 . 1 . . . . 3 PHE HZ . 7359 1 20 . 1 1 3 3 PHE CA C 13 53.242 0.400 . 1 . . . . 3 PHE CA . 7359 1 21 . 1 1 3 3 PHE CB C 13 37.651 0.400 . 1 . . . . 3 PHE CB . 7359 1 22 . 1 1 3 3 PHE N N 15 119.667 0.400 . 1 . . . . 3 PHE N . 7359 1 23 . 1 1 4 4 LYS H H 1 11.592 0.040 . 1 . . . . 4 LYS H . 7359 1 24 . 1 1 4 4 LYS HA H 1 4.973 0.040 . 1 . . . . 4 LYS HA . 7359 1 25 . 1 1 4 4 LYS HB2 H 1 2.103 0.040 . 2 . . . . 4 LYS HB2 . 7359 1 26 . 1 1 4 4 LYS HB3 H 1 2.045 0.040 . 2 . . . . 4 LYS HB3 . 7359 1 27 . 1 1 4 4 LYS HG2 H 1 1.665 0.040 . 1 . . . . 4 LYS HG2 . 7359 1 28 . 1 1 4 4 LYS HG3 H 1 1.665 0.040 . 1 . . . . 4 LYS HG3 . 7359 1 29 . 1 1 4 4 LYS HD2 H 1 1.892 0.040 . 1 . . . . 4 LYS HD2 . 7359 1 30 . 1 1 4 4 LYS HD3 H 1 1.892 0.040 . 1 . . . . 4 LYS HD3 . 7359 1 31 . 1 1 4 4 LYS HE2 H 1 3.184 0.040 . 1 . . . . 4 LYS HE2 . 7359 1 32 . 1 1 4 4 LYS HE3 H 1 3.184 0.040 . 1 . . . . 4 LYS HE3 . 7359 1 33 . 1 1 4 4 LYS CA C 13 52.965 0.400 . 1 . . . . 4 LYS CA . 7359 1 34 . 1 1 4 4 LYS CB C 13 33.483 0.400 . 1 . . . . 4 LYS CB . 7359 1 35 . 1 1 4 4 LYS CG C 13 22.191 0.400 . 1 . . . . 4 LYS CG . 7359 1 36 . 1 1 4 4 LYS CD C 13 26.726 0.400 . 1 . . . . 4 LYS CD . 7359 1 37 . 1 1 4 4 LYS CE C 13 39.847 0.400 . 1 . . . . 4 LYS CE . 7359 1 38 . 1 1 4 4 LYS N N 15 127.256 0.400 . 1 . . . . 4 LYS N . 7359 1 39 . 1 1 5 5 GLU H H 1 9.033 0.040 . 1 . . . . 5 GLU H . 7359 1 40 . 1 1 5 5 GLU HA H 1 2.856 0.040 . 1 . . . . 5 GLU HA . 7359 1 41 . 1 1 5 5 GLU HB2 H 1 2.094 0.040 . 2 . . . . 5 GLU HB2 . 7359 1 42 . 1 1 5 5 GLU HB3 H 1 2.011 0.040 . 2 . . . . 5 GLU HB3 . 7359 1 43 . 1 1 5 5 GLU HG2 H 1 2.278 0.040 . 1 . . . . 5 GLU HG2 . 7359 1 44 . 1 1 5 5 GLU HG3 H 1 2.278 0.040 . 1 . . . . 5 GLU HG3 . 7359 1 45 . 1 1 5 5 GLU CA C 13 54.931 0.400 . 1 . . . . 5 GLU CA . 7359 1 46 . 1 1 5 5 GLU CB C 13 26.672 0.400 . 1 . . . . 5 GLU CB . 7359 1 47 . 1 1 5 5 GLU CG C 13 33.795 0.400 . 1 . . . . 5 GLU CG . 7359 1 48 . 1 1 5 5 GLU N N 15 129.515 0.400 . 1 . . . . 5 GLU N . 7359 1 49 . 1 1 6 6 GLY H H 1 8.963 0.040 . 1 . . . . 6 GLY H . 7359 1 50 . 1 1 6 6 GLY HA2 H 1 4.609 0.040 . 2 . . . . 6 GLY HA2 . 7359 1 51 . 1 1 6 6 GLY HA3 H 1 3.773 0.040 . 2 . . . . 6 GLY HA3 . 7359 1 52 . 1 1 6 6 GLY CA C 13 42.961 0.400 . 1 . . . . 6 GLY CA . 7359 1 53 . 1 1 6 6 GLY N N 15 116.522 0.400 . 1 . . . . 6 GLY N . 7359 1 54 . 1 1 7 7 GLU H H 1 7.596 0.040 . 1 . . . . 7 GLU H . 7359 1 55 . 1 1 7 7 GLU HA H 1 4.447 0.040 . 1 . . . . 7 GLU HA . 7359 1 56 . 1 1 7 7 GLU HB2 H 1 1.928 0.040 . 2 . . . . 7 GLU HB2 . 7359 1 57 . 1 1 7 7 GLU HB3 H 1 1.842 0.040 . 2 . . . . 7 GLU HB3 . 7359 1 58 . 1 1 7 7 GLU HG2 H 1 2.021 0.040 . 2 . . . . 7 GLU HG2 . 7359 1 59 . 1 1 7 7 GLU HG3 H 1 1.636 0.040 . 2 . . . . 7 GLU HG3 . 7359 1 60 . 1 1 7 7 GLU CA C 13 54.833 0.400 . 1 . . . . 7 GLU CA . 7359 1 61 . 1 1 7 7 GLU CB C 13 28.898 0.400 . 1 . . . . 7 GLU CB . 7359 1 62 . 1 1 7 7 GLU CG C 13 32.480 0.400 . 1 . . . . 7 GLU CG . 7359 1 63 . 1 1 7 7 GLU N N 15 120.649 0.400 . 1 . . . . 7 GLU N . 7359 1 64 . 1 1 8 8 HIS H H 1 8.610 0.040 . 1 . . . . 8 HIS H . 7359 1 65 . 1 1 8 8 HIS HA H 1 5.075 0.040 . 1 . . . . 8 HIS HA . 7359 1 66 . 1 1 8 8 HIS HB2 H 1 3.812 0.040 . 2 . . . . 8 HIS HB2 . 7359 1 67 . 1 1 8 8 HIS HB3 H 1 3.210 0.040 . 2 . . . . 8 HIS HB3 . 7359 1 68 . 1 1 8 8 HIS CA C 13 56.610 0.400 . 1 . . . . 8 HIS CA . 7359 1 69 . 1 1 8 8 HIS CB C 13 30.671 0.400 . 1 . . . . 8 HIS CB . 7359 1 70 . 1 1 8 8 HIS N N 15 114.865 0.400 . 1 . . . . 8 HIS N . 7359 1 71 . 1 1 9 9 TYR H H 1 7.397 0.040 . 1 . . . . 9 TYR H . 7359 1 72 . 1 1 9 9 TYR HA H 1 5.724 0.040 . 1 . . . . 9 TYR HA . 7359 1 73 . 1 1 9 9 TYR HB2 H 1 3.301 0.040 . 2 . . . . 9 TYR HB2 . 7359 1 74 . 1 1 9 9 TYR HB3 H 1 3.045 0.040 . 2 . . . . 9 TYR HB3 . 7359 1 75 . 1 1 9 9 TYR HD1 H 1 7.175 0.040 . 1 . . . . 9 TYR HD1 . 7359 1 76 . 1 1 9 9 TYR HD2 H 1 7.175 0.040 . 1 . . . . 9 TYR HD2 . 7359 1 77 . 1 1 9 9 TYR CA C 13 53.024 0.400 . 1 . . . . 9 TYR CA . 7359 1 78 . 1 1 9 9 TYR CB C 13 37.804 0.400 . 1 . . . . 9 TYR CB . 7359 1 79 . 1 1 9 9 TYR N N 15 110.629 0.400 . 1 . . . . 9 TYR N . 7359 1 80 . 1 1 10 10 GLN H H 1 9.342 0.040 . 1 . . . . 10 GLN H . 7359 1 81 . 1 1 10 10 GLN HA H 1 5.138 0.040 . 1 . . . . 10 GLN HA . 7359 1 82 . 1 1 10 10 GLN HB2 H 1 2.294 0.040 . 2 . . . . 10 GLN HB2 . 7359 1 83 . 1 1 10 10 GLN HB3 H 1 2.047 0.040 . 2 . . . . 10 GLN HB3 . 7359 1 84 . 1 1 10 10 GLN HG2 H 1 2.489 0.040 . 2 . . . . 10 GLN HG2 . 7359 1 85 . 1 1 10 10 GLN HG3 H 1 2.427 0.040 . 2 . . . . 10 GLN HG3 . 7359 1 86 . 1 1 10 10 GLN CA C 13 50.981 0.400 . 1 . . . . 10 GLN CA . 7359 1 87 . 1 1 10 10 GLN CB C 13 29.903 0.400 . 1 . . . . 10 GLN CB . 7359 1 88 . 1 1 10 10 GLN CG C 13 30.753 0.400 . 1 . . . . 10 GLN CG . 7359 1 89 . 1 1 10 10 GLN N N 15 119.632 0.400 . 1 . . . . 10 GLN N . 7359 1 90 . 1 1 11 11 VAL H H 1 9.384 0.040 . 1 . . . . 11 VAL H . 7359 1 91 . 1 1 11 11 VAL HA H 1 4.735 0.040 . 1 . . . . 11 VAL HA . 7359 1 92 . 1 1 11 11 VAL HB H 1 2.276 0.040 . 1 . . . . 11 VAL HB . 7359 1 93 . 1 1 11 11 VAL HG11 H 1 1.433 0.040 . 2 . . . . 11 VAL HG1 . 7359 1 94 . 1 1 11 11 VAL HG12 H 1 1.433 0.040 . 2 . . . . 11 VAL HG1 . 7359 1 95 . 1 1 11 11 VAL HG13 H 1 1.433 0.040 . 2 . . . . 11 VAL HG1 . 7359 1 96 . 1 1 11 11 VAL HG21 H 1 1.214 0.040 . 2 . . . . 11 VAL HG2 . 7359 1 97 . 1 1 11 11 VAL HG22 H 1 1.214 0.040 . 2 . . . . 11 VAL HG2 . 7359 1 98 . 1 1 11 11 VAL HG23 H 1 1.214 0.040 . 2 . . . . 11 VAL HG2 . 7359 1 99 . 1 1 11 11 VAL CA C 13 60.261 0.400 . 1 . . . . 11 VAL CA . 7359 1 100 . 1 1 11 11 VAL CB C 13 29.566 0.400 . 1 . . . . 11 VAL CB . 7359 1 101 . 1 1 11 11 VAL CG1 C 13 19.596 0.400 . 1 . . . . 11 VAL CG1 . 7359 1 102 . 1 1 11 11 VAL CG2 C 13 18.833 0.400 . 1 . . . . 11 VAL CG2 . 7359 1 103 . 1 1 11 11 VAL N N 15 125.720 0.400 . 1 . . . . 11 VAL N . 7359 1 104 . 1 1 12 12 LEU H H 1 9.377 0.040 . 1 . . . . 12 LEU H . 7359 1 105 . 1 1 12 12 LEU HA H 1 4.716 0.040 . 1 . . . . 12 LEU HA . 7359 1 106 . 1 1 12 12 LEU HB2 H 1 1.923 0.040 . 2 . . . . 12 LEU HB2 . 7359 1 107 . 1 1 12 12 LEU HB3 H 1 1.836 0.040 . 2 . . . . 12 LEU HB3 . 7359 1 108 . 1 1 12 12 LEU HG H 1 1.836 0.040 . 1 . . . . 12 LEU HG . 7359 1 109 . 1 1 12 12 LEU HD11 H 1 0.946 0.040 . 1 . . . . 12 LEU HD1 . 7359 1 110 . 1 1 12 12 LEU HD12 H 1 0.946 0.040 . 1 . . . . 12 LEU HD1 . 7359 1 111 . 1 1 12 12 LEU HD13 H 1 0.946 0.040 . 1 . . . . 12 LEU HD1 . 7359 1 112 . 1 1 12 12 LEU HD21 H 1 0.990 0.040 . 1 . . . . 12 LEU HD2 . 7359 1 113 . 1 1 12 12 LEU HD22 H 1 0.990 0.040 . 1 . . . . 12 LEU HD2 . 7359 1 114 . 1 1 12 12 LEU HD23 H 1 0.990 0.040 . 1 . . . . 12 LEU HD2 . 7359 1 115 . 1 1 12 12 LEU CA C 13 51.224 0.400 . 1 . . . . 12 LEU CA . 7359 1 116 . 1 1 12 12 LEU CB C 13 40.324 0.400 . 1 . . . . 12 LEU CB . 7359 1 117 . 1 1 12 12 LEU CG C 13 24.263 0.400 . 1 . . . . 12 LEU CG . 7359 1 118 . 1 1 12 12 LEU CD1 C 13 23.535 0.400 . 1 . . . . 12 LEU CD1 . 7359 1 119 . 1 1 12 12 LEU CD2 C 13 18.571 0.400 . 1 . . . . 12 LEU CD2 . 7359 1 120 . 1 1 12 12 LEU N N 15 128.988 0.400 . 1 . . . . 12 LEU N . 7359 1 121 . 1 1 13 13 LYS H H 1 8.445 0.040 . 1 . . . . 13 LYS H . 7359 1 122 . 1 1 13 13 LYS HA H 1 4.487 0.040 . 1 . . . . 13 LYS HA . 7359 1 123 . 1 1 13 13 LYS HB2 H 1 2.097 0.040 . 2 . . . . 13 LYS HB2 . 7359 1 124 . 1 1 13 13 LYS HB3 H 1 1.936 0.040 . 2 . . . . 13 LYS HB3 . 7359 1 125 . 1 1 13 13 LYS HG2 H 1 1.621 0.040 . 1 . . . . 13 LYS HG2 . 7359 1 126 . 1 1 13 13 LYS HG3 H 1 1.621 0.040 . 1 . . . . 13 LYS HG3 . 7359 1 127 . 1 1 13 13 LYS HD2 H 1 1.877 0.040 . 1 . . . . 13 LYS HD2 . 7359 1 128 . 1 1 13 13 LYS HD3 H 1 1.877 0.040 . 1 . . . . 13 LYS HD3 . 7359 1 129 . 1 1 13 13 LYS HE2 H 1 3.252 0.040 . 1 . . . . 13 LYS HE2 . 7359 1 130 . 1 1 13 13 LYS HE3 H 1 3.252 0.040 . 1 . . . . 13 LYS HE3 . 7359 1 131 . 1 1 13 13 LYS CA C 13 53.563 0.400 . 1 . . . . 13 LYS CA . 7359 1 132 . 1 1 13 13 LYS CB C 13 29.125 0.400 . 1 . . . . 13 LYS CB . 7359 1 133 . 1 1 13 13 LYS CG C 13 22.262 0.400 . 1 . . . . 13 LYS CG . 7359 1 134 . 1 1 13 13 LYS CD C 13 26.554 0.400 . 1 . . . . 13 LYS CD . 7359 1 135 . 1 1 13 13 LYS N N 15 117.600 0.400 . 1 . . . . 13 LYS N . 7359 1 136 . 1 1 14 14 THR H H 1 7.556 0.040 . 1 . . . . 14 THR H . 7359 1 137 . 1 1 14 14 THR HA H 1 4.563 0.040 . 1 . . . . 14 THR HA . 7359 1 138 . 1 1 14 14 THR HB H 1 4.332 0.040 . 1 . . . . 14 THR HB . 7359 1 139 . 1 1 14 14 THR HG21 H 1 1.304 0.040 . 1 . . . . 14 THR HG2 . 7359 1 140 . 1 1 14 14 THR HG22 H 1 1.304 0.040 . 1 . . . . 14 THR HG2 . 7359 1 141 . 1 1 14 14 THR HG23 H 1 1.304 0.040 . 1 . . . . 14 THR HG2 . 7359 1 142 . 1 1 14 14 THR CA C 13 55.966 0.400 . 1 . . . . 14 THR CA . 7359 1 143 . 1 1 14 14 THR CB C 13 66.067 0.400 . 1 . . . . 14 THR CB . 7359 1 144 . 1 1 14 14 THR CG2 C 13 21.297 0.400 . 1 . . . . 14 THR CG2 . 7359 1 145 . 1 1 14 14 THR N N 15 111.976 0.400 . 1 . . . . 14 THR N . 7359 1 146 . 1 1 15 15 PRO HA H 1 4.580 0.040 . 1 . . . . 15 PRO HA . 7359 1 147 . 1 1 15 15 PRO HB2 H 1 2.416 0.040 . 2 . . . . 15 PRO HB2 . 7359 1 148 . 1 1 15 15 PRO HB3 H 1 2.029 0.040 . 2 . . . . 15 PRO HB3 . 7359 1 149 . 1 1 15 15 PRO HG2 H 1 2.146 0.040 . 2 . . . . 15 PRO HG2 . 7359 1 150 . 1 1 15 15 PRO HD2 H 1 3.883 0.040 . 2 . . . . 15 PRO HD2 . 7359 1 151 . 1 1 15 15 PRO HD3 H 1 3.729 0.040 . 2 . . . . 15 PRO HD3 . 7359 1 152 . 1 1 15 15 PRO CA C 13 59.562 0.400 . 1 . . . . 15 PRO CA . 7359 1 153 . 1 1 15 15 PRO CB C 13 29.579 0.400 . 1 . . . . 15 PRO CB . 7359 1 154 . 1 1 15 15 PRO CG C 13 24.909 0.400 . 1 . . . . 15 PRO CG . 7359 1 155 . 1 1 15 15 PRO CD C 13 47.982 0.400 . 1 . . . . 15 PRO CD . 7359 1 156 . 1 1 16 16 ALA H H 1 8.449 0.040 . 1 . . . . 16 ALA H . 7359 1 157 . 1 1 16 16 ALA HA H 1 4.726 0.040 . 1 . . . . 16 ALA HA . 7359 1 158 . 1 1 16 16 ALA HB1 H 1 1.610 0.040 . 1 . . . . 16 ALA HB . 7359 1 159 . 1 1 16 16 ALA HB2 H 1 1.610 0.040 . 1 . . . . 16 ALA HB . 7359 1 160 . 1 1 16 16 ALA HB3 H 1 1.610 0.040 . 1 . . . . 16 ALA HB . 7359 1 161 . 1 1 16 16 ALA CA C 13 48.966 0.400 . 1 . . . . 16 ALA CA . 7359 1 162 . 1 1 16 16 ALA CB C 13 16.792 0.400 . 1 . . . . 16 ALA CB . 7359 1 163 . 1 1 16 16 ALA N N 15 122.241 0.400 . 1 . . . . 16 ALA N . 7359 1 164 . 1 1 17 17 SER H H 1 7.840 0.040 . 1 . . . . 17 SER H . 7359 1 165 . 1 1 17 17 SER HA H 1 4.486 0.040 . 1 . . . . 17 SER HA . 7359 1 166 . 1 1 17 17 SER HB2 H 1 4.283 0.040 . 2 . . . . 17 SER HB2 . 7359 1 167 . 1 1 17 17 SER HB3 H 1 3.757 0.040 . 2 . . . . 17 SER HB3 . 7359 1 168 . 1 1 17 17 SER CA C 13 55.287 0.400 . 1 . . . . 17 SER CA . 7359 1 169 . 1 1 17 17 SER CB C 13 61.677 0.400 . 1 . . . . 17 SER CB . 7359 1 170 . 1 1 17 17 SER N N 15 115.025 0.400 . 1 . . . . 17 SER N . 7359 1 171 . 1 1 18 18 SER H H 1 8.579 0.040 . 1 . . . . 18 SER H . 7359 1 172 . 1 1 18 18 SER CA C 13 56.857 0.400 . 1 . . . . 18 SER CA . 7359 1 173 . 1 1 18 18 SER CB C 13 61.130 0.400 . 1 . . . . 18 SER CB . 7359 1 174 . 1 1 18 18 SER N N 15 122.297 0.400 . 1 . . . . 18 SER N . 7359 1 175 . 1 1 19 19 SER H H 1 7.730 0.040 . 1 . . . . 19 SER H . 7359 1 176 . 1 1 19 19 SER HA H 1 5.047 0.040 . 1 . . . . 19 SER HA . 7359 1 177 . 1 1 19 19 SER HB2 H 1 3.982 0.040 . 1 . . . . 19 SER HB2 . 7359 1 178 . 1 1 19 19 SER HB3 H 1 3.982 0.040 . 1 . . . . 19 SER HB3 . 7359 1 179 . 1 1 19 19 SER CA C 13 53.551 0.400 . 1 . . . . 19 SER CA . 7359 1 180 . 1 1 19 19 SER CB C 13 61.307 0.400 . 1 . . . . 19 SER CB . 7359 1 181 . 1 1 19 19 SER N N 15 116.122 0.400 . 1 . . . . 19 SER N . 7359 1 182 . 1 1 20 20 PRO HA H 1 5.184 0.040 . 1 . . . . 20 PRO HA . 7359 1 183 . 1 1 20 20 PRO HB2 H 1 2.555 0.040 . 2 . . . . 20 PRO HB2 . 7359 1 184 . 1 1 20 20 PRO HB3 H 1 2.020 0.040 . 2 . . . . 20 PRO HB3 . 7359 1 185 . 1 1 20 20 PRO HG2 H 1 2.276 0.040 . 2 . . . . 20 PRO HG2 . 7359 1 186 . 1 1 20 20 PRO HG3 H 1 2.136 0.040 . 2 . . . . 20 PRO HG3 . 7359 1 187 . 1 1 20 20 PRO HD2 H 1 3.948 0.040 . 2 . . . . 20 PRO HD2 . 7359 1 188 . 1 1 20 20 PRO HD3 H 1 3.870 0.040 . 2 . . . . 20 PRO HD3 . 7359 1 189 . 1 1 20 20 PRO CA C 13 60.641 0.400 . 1 . . . . 20 PRO CA . 7359 1 190 . 1 1 20 20 PRO CB C 13 29.544 0.400 . 1 . . . . 20 PRO CB . 7359 1 191 . 1 1 20 20 PRO CG C 13 25.146 0.400 . 1 . . . . 20 PRO CG . 7359 1 192 . 1 1 20 20 PRO CD C 13 48.400 0.400 . 1 . . . . 20 PRO CD . 7359 1 193 . 1 1 21 21 VAL H H 1 9.134 0.040 . 1 . . . . 21 VAL H . 7359 1 194 . 1 1 21 21 VAL HA H 1 5.330 0.040 . 1 . . . . 21 VAL HA . 7359 1 195 . 1 1 21 21 VAL HB H 1 2.213 0.040 . 1 . . . . 21 VAL HB . 7359 1 196 . 1 1 21 21 VAL HG11 H 1 0.977 0.040 . 1 . . . . 21 VAL HG1 . 7359 1 197 . 1 1 21 21 VAL HG12 H 1 0.977 0.040 . 1 . . . . 21 VAL HG1 . 7359 1 198 . 1 1 21 21 VAL HG13 H 1 0.977 0.040 . 1 . . . . 21 VAL HG1 . 7359 1 199 . 1 1 21 21 VAL HG21 H 1 1.163 0.040 . 1 . . . . 21 VAL HG2 . 7359 1 200 . 1 1 21 21 VAL HG22 H 1 1.163 0.040 . 1 . . . . 21 VAL HG2 . 7359 1 201 . 1 1 21 21 VAL HG23 H 1 1.163 0.040 . 1 . . . . 21 VAL HG2 . 7359 1 202 . 1 1 21 21 VAL CA C 13 57.225 0.400 . 1 . . . . 21 VAL CA . 7359 1 203 . 1 1 21 21 VAL CB C 13 32.941 0.400 . 1 . . . . 21 VAL CB . 7359 1 204 . 1 1 21 21 VAL CG1 C 13 18.380 0.400 . 1 . . . . 21 VAL CG1 . 7359 1 205 . 1 1 21 21 VAL CG2 C 13 16.785 0.400 . 1 . . . . 21 VAL CG2 . 7359 1 206 . 1 1 21 21 VAL N N 15 125.065 0.400 . 1 . . . . 21 VAL N . 7359 1 207 . 1 1 22 22 VAL H H 1 8.989 0.040 . 1 . . . . 22 VAL H . 7359 1 208 . 1 1 22 22 VAL HA H 1 4.774 0.040 . 1 . . . . 22 VAL HA . 7359 1 209 . 1 1 22 22 VAL HB H 1 2.238 0.040 . 1 . . . . 22 VAL HB . 7359 1 210 . 1 1 22 22 VAL HG11 H 1 1.115 0.040 . 1 . . . . 22 VAL HG1 . 7359 1 211 . 1 1 22 22 VAL HG12 H 1 1.115 0.040 . 1 . . . . 22 VAL HG1 . 7359 1 212 . 1 1 22 22 VAL HG13 H 1 1.115 0.040 . 1 . . . . 22 VAL HG1 . 7359 1 213 . 1 1 22 22 VAL HG21 H 1 1.152 0.040 . 1 . . . . 22 VAL HG2 . 7359 1 214 . 1 1 22 22 VAL HG22 H 1 1.152 0.040 . 1 . . . . 22 VAL HG2 . 7359 1 215 . 1 1 22 22 VAL HG23 H 1 1.152 0.040 . 1 . . . . 22 VAL HG2 . 7359 1 216 . 1 1 22 22 VAL CA C 13 58.941 0.400 . 1 . . . . 22 VAL CA . 7359 1 217 . 1 1 22 22 VAL CB C 13 31.626 0.400 . 1 . . . . 22 VAL CB . 7359 1 218 . 1 1 22 22 VAL CG1 C 13 20.676 0.400 . 1 . . . . 22 VAL CG1 . 7359 1 219 . 1 1 22 22 VAL CG2 C 13 18.953 0.400 . 1 . . . . 22 VAL CG2 . 7359 1 220 . 1 1 22 22 VAL N N 15 126.828 0.400 . 1 . . . . 22 VAL N . 7359 1 221 . 1 1 23 23 SER H H 1 9.436 0.040 . 1 . . . . 23 SER H . 7359 1 222 . 1 1 23 23 SER HA H 1 5.569 0.040 . 1 . . . . 23 SER HA . 7359 1 223 . 1 1 23 23 SER HB2 H 1 3.651 0.040 . 2 . . . . 23 SER HB2 . 7359 1 224 . 1 1 23 23 SER HB3 H 1 3.413 0.040 . 2 . . . . 23 SER HB3 . 7359 1 225 . 1 1 23 23 SER CA C 13 52.958 0.400 . 1 . . . . 23 SER CA . 7359 1 226 . 1 1 23 23 SER CB C 13 62.544 0.400 . 1 . . . . 23 SER CB . 7359 1 227 . 1 1 23 23 SER N N 15 121.317 0.400 . 1 . . . . 23 SER N . 7359 1 228 . 1 1 24 24 GLU H H 1 8.532 0.040 . 1 . . . . 24 GLU H . 7359 1 229 . 1 1 24 24 GLU CA C 13 50.297 0.400 . 1 . . . . 24 GLU CA . 7359 1 230 . 1 1 24 24 GLU CB C 13 28.467 0.400 . 1 . . . . 24 GLU CB . 7359 1 231 . 1 1 24 24 GLU N N 15 121.988 0.400 . 1 . . . . 24 GLU N . 7359 1 232 . 1 1 25 25 PHE H H 1 9.839 0.040 . 1 . . . . 25 PHE H . 7359 1 233 . 1 1 25 25 PHE HA H 1 5.633 0.040 . 1 . . . . 25 PHE HA . 7359 1 234 . 1 1 25 25 PHE HB2 H 1 3.294 0.040 . 2 . . . . 25 PHE HB2 . 7359 1 235 . 1 1 25 25 PHE HB3 H 1 3.061 0.040 . 2 . . . . 25 PHE HB3 . 7359 1 236 . 1 1 25 25 PHE HE1 H 1 7.356 0.040 . 1 . . . . 25 PHE HE1 . 7359 1 237 . 1 1 25 25 PHE HE2 H 1 7.356 0.040 . 1 . . . . 25 PHE HE2 . 7359 1 238 . 1 1 25 25 PHE CA C 13 54.642 0.400 . 1 . . . . 25 PHE CA . 7359 1 239 . 1 1 25 25 PHE CB C 13 37.986 0.400 . 1 . . . . 25 PHE CB . 7359 1 240 . 1 1 25 25 PHE N N 15 129.056 0.400 . 1 . . . . 25 PHE N . 7359 1 241 . 1 1 26 26 PHE H H 1 9.081 0.040 . 1 . . . . 26 PHE H . 7359 1 242 . 1 1 26 26 PHE HA H 1 5.377 0.040 . 1 . . . . 26 PHE HA . 7359 1 243 . 1 1 26 26 PHE HB2 H 1 3.018 0.040 . 2 . . . . 26 PHE HB2 . 7359 1 244 . 1 1 26 26 PHE HB3 H 1 2.958 0.040 . 2 . . . . 26 PHE HB3 . 7359 1 245 . 1 1 26 26 PHE CA C 13 52.124 0.400 . 1 . . . . 26 PHE CA . 7359 1 246 . 1 1 26 26 PHE CB C 13 41.755 0.400 . 1 . . . . 26 PHE CB . 7359 1 247 . 1 1 26 26 PHE N N 15 122.782 0.400 . 1 . . . . 26 PHE N . 7359 1 248 . 1 1 27 27 SER H H 1 7.608 0.040 . 1 . . . . 27 SER H . 7359 1 249 . 1 1 27 27 SER HA H 1 3.498 0.040 . 1 . . . . 27 SER HA . 7359 1 250 . 1 1 27 27 SER HB2 H 1 3.396 0.040 . 1 . . . . 27 SER HB2 . 7359 1 251 . 1 1 27 27 SER HB3 H 1 3.396 0.040 . 1 . . . . 27 SER HB3 . 7359 1 252 . 1 1 27 27 SER CA C 13 52.467 0.400 . 1 . . . . 27 SER CA . 7359 1 253 . 1 1 27 27 SER CB C 13 62.456 0.400 . 1 . . . . 27 SER CB . 7359 1 254 . 1 1 27 27 SER N N 15 112.270 0.400 . 1 . . . . 27 SER N . 7359 1 255 . 1 1 28 28 PHE H H 1 11.190 0.040 . 1 . . . . 28 PHE H . 7359 1 256 . 1 1 28 28 PHE HA H 1 4.498 0.040 . 1 . . . . 28 PHE HA . 7359 1 257 . 1 1 28 28 PHE HB2 H 1 2.791 0.040 . 2 . . . . 28 PHE HB2 . 7359 1 258 . 1 1 28 28 PHE HB3 H 1 2.500 0.040 . 2 . . . . 28 PHE HB3 . 7359 1 259 . 1 1 28 28 PHE CA C 13 59.232 0.400 . 1 . . . . 28 PHE CA . 7359 1 260 . 1 1 28 28 PHE CB C 13 36.014 0.400 . 1 . . . . 28 PHE CB . 7359 1 261 . 1 1 28 28 PHE N N 15 130.587 0.400 . 1 . . . . 28 PHE N . 7359 1 262 . 1 1 29 29 TYR H H 1 8.468 0.040 . 1 . . . . 29 TYR H . 7359 1 263 . 1 1 29 29 TYR HA H 1 4.370 0.040 . 1 . . . . 29 TYR HA . 7359 1 264 . 1 1 29 29 TYR HB2 H 1 3.397 0.040 . 2 . . . . 29 TYR HB2 . 7359 1 265 . 1 1 29 29 TYR HB3 H 1 2.699 0.040 . 2 . . . . 29 TYR HB3 . 7359 1 266 . 1 1 29 29 TYR CA C 13 58.609 0.400 . 1 . . . . 29 TYR CA . 7359 1 267 . 1 1 29 29 TYR CB C 13 36.163 0.400 . 1 . . . . 29 TYR CB . 7359 1 268 . 1 1 29 29 TYR N N 15 113.838 0.400 . 1 . . . . 29 TYR N . 7359 1 269 . 1 1 30 30 CYS H H 1 7.735 0.040 . 1 . . . . 30 CYS H . 7359 1 270 . 1 1 30 30 CYS HA H 1 5.123 0.040 . 1 . . . . 30 CYS HA . 7359 1 271 . 1 1 30 30 CYS HB2 H 1 3.359 0.040 . 2 . . . . 30 CYS HB2 . 7359 1 272 . 1 1 30 30 CYS HB3 H 1 3.023 0.040 . 2 . . . . 30 CYS HB3 . 7359 1 273 . 1 1 30 30 CYS CA C 13 54.438 0.400 . 1 . . . . 30 CYS CA . 7359 1 274 . 1 1 30 30 CYS N N 15 125.341 0.400 . 1 . . . . 30 CYS N . 7359 1 275 . 1 1 31 31 PRO CA C 13 61.644 0.400 . 1 . . . . 31 PRO CA . 7359 1 276 . 1 1 31 31 PRO CB C 13 29.815 0.400 . 1 . . . . 31 PRO CB . 7359 1 277 . 1 1 32 32 HIS H H 1 9.581 0.040 . 1 . . . . 32 HIS H . 7359 1 278 . 1 1 32 32 HIS HA H 1 4.704 0.040 . 1 . . . . 32 HIS HA . 7359 1 279 . 1 1 32 32 HIS HB2 H 1 3.436 0.040 . 2 . . . . 32 HIS HB2 . 7359 1 280 . 1 1 32 32 HIS HB3 H 1 3.237 0.040 . 2 . . . . 32 HIS HB3 . 7359 1 281 . 1 1 32 32 HIS CA C 13 56.002 0.400 . 1 . . . . 32 HIS CA . 7359 1 282 . 1 1 32 32 HIS CB C 13 27.590 0.400 . 1 . . . . 32 HIS CB . 7359 1 283 . 1 1 32 32 HIS N N 15 126.707 0.400 . 1 . . . . 32 HIS N . 7359 1 284 . 1 1 33 33 CYS H H 1 10.519 0.040 . 1 . . . . 33 CYS H . 7359 1 285 . 1 1 33 33 CYS HA H 1 4.263 0.040 . 1 . . . . 33 CYS HA . 7359 1 286 . 1 1 33 33 CYS HB2 H 1 3.111 0.040 . 1 . . . . 33 CYS HB2 . 7359 1 287 . 1 1 33 33 CYS HB3 H 1 3.111 0.040 . 1 . . . . 33 CYS HB3 . 7359 1 288 . 1 1 33 33 CYS CA C 13 62.563 0.400 . 1 . . . . 33 CYS CA . 7359 1 289 . 1 1 33 33 CYS CB C 13 26.635 0.400 . 1 . . . . 33 CYS CB . 7359 1 290 . 1 1 33 33 CYS N N 15 129.359 0.400 . 1 . . . . 33 CYS N . 7359 1 291 . 1 1 34 34 ASN H H 1 7.853 0.040 . 1 . . . . 34 ASN H . 7359 1 292 . 1 1 34 34 ASN HA H 1 3.273 0.040 . 1 . . . . 34 ASN HA . 7359 1 293 . 1 1 34 34 ASN HB2 H 1 2.637 0.040 . 2 . . . . 34 ASN HB2 . 7359 1 294 . 1 1 34 34 ASN HB3 H 1 2.030 0.040 . 2 . . . . 34 ASN HB3 . 7359 1 295 . 1 1 34 34 ASN HD21 H 1 7.492 0.040 . 2 . . . . 34 ASN HD21 . 7359 1 296 . 1 1 34 34 ASN HD22 H 1 6.803 0.040 . 2 . . . . 34 ASN HD22 . 7359 1 297 . 1 1 34 34 ASN CA C 13 54.196 0.400 . 1 . . . . 34 ASN CA . 7359 1 298 . 1 1 34 34 ASN CB C 13 35.963 0.400 . 1 . . . . 34 ASN CB . 7359 1 299 . 1 1 34 34 ASN N N 15 118.289 0.400 . 1 . . . . 34 ASN N . 7359 1 300 . 1 1 34 34 ASN ND2 N 15 113.236 0.400 . 1 . . . . 34 ASN ND2 . 7359 1 301 . 1 1 35 35 THR H H 1 7.934 0.040 . 1 . . . . 35 THR H . 7359 1 302 . 1 1 35 35 THR HA H 1 4.039 0.040 . 1 . . . . 35 THR HA . 7359 1 303 . 1 1 35 35 THR HB H 1 4.485 0.040 . 1 . . . . 35 THR HB . 7359 1 304 . 1 1 35 35 THR HG21 H 1 1.447 0.040 . 1 . . . . 35 THR HG2 . 7359 1 305 . 1 1 35 35 THR HG22 H 1 1.447 0.040 . 1 . . . . 35 THR HG2 . 7359 1 306 . 1 1 35 35 THR HG23 H 1 1.447 0.040 . 1 . . . . 35 THR HG2 . 7359 1 307 . 1 1 35 35 THR CA C 13 62.364 0.400 . 1 . . . . 35 THR CA . 7359 1 308 . 1 1 35 35 THR CB C 13 68.75 0.400 . 1 . . . . 35 THR CB . 7359 1 309 . 1 1 35 35 THR CG2 C 13 19.871 0.400 . 1 . . . . 35 THR CG2 . 7359 1 310 . 1 1 35 35 THR N N 15 113.496 0.400 . 1 . . . . 35 THR N . 7359 1 311 . 1 1 36 36 PHE H H 1 7.927 0.040 . 1 . . . . 36 PHE H . 7359 1 312 . 1 1 36 36 PHE HA H 1 4.424 0.040 . 1 . . . . 36 PHE HA . 7359 1 313 . 1 1 36 36 PHE HB2 H 1 3.567 0.040 . 2 . . . . 36 PHE HB2 . 7359 1 314 . 1 1 36 36 PHE HB3 H 1 2.970 0.040 . 2 . . . . 36 PHE HB3 . 7359 1 315 . 1 1 36 36 PHE CA C 13 54.898 0.400 . 1 . . . . 36 PHE CA . 7359 1 316 . 1 1 36 36 PHE CB C 13 38.357 0.400 . 1 . . . . 36 PHE CB . 7359 1 317 . 1 1 36 36 PHE N N 15 120.282 0.400 . 1 . . . . 36 PHE N . 7359 1 318 . 1 1 37 37 GLU H H 1 7.243 0.040 . 1 . . . . 37 GLU H . 7359 1 319 . 1 1 37 37 GLU CA C 13 57.920 0.400 . 1 . . . . 37 GLU CA . 7359 1 320 . 1 1 37 37 GLU N N 15 119.969 0.400 . 1 . . . . 37 GLU N . 7359 1 321 . 1 1 38 38 PRO HA H 1 4.474 0.040 . 1 . . . . 38 PRO HA . 7359 1 322 . 1 1 38 38 PRO HB2 H 1 2.470 0.040 . 2 . . . . 38 PRO HB2 . 7359 1 323 . 1 1 38 38 PRO HB3 H 1 1.837 0.040 . 2 . . . . 38 PRO HB3 . 7359 1 324 . 1 1 38 38 PRO HG2 H 1 2.112 0.040 . 2 . . . . 38 PRO HG2 . 7359 1 325 . 1 1 38 38 PRO HG3 H 1 2.061 0.040 . 2 . . . . 38 PRO HG3 . 7359 1 326 . 1 1 38 38 PRO HD2 H 1 3.842 0.040 . 2 . . . . 38 PRO HD2 . 7359 1 327 . 1 1 38 38 PRO HD3 H 1 3.611 0.040 . 2 . . . . 38 PRO HD3 . 7359 1 328 . 1 1 38 38 PRO CA C 13 62.949 0.400 . 1 . . . . 38 PRO CA . 7359 1 329 . 1 1 38 38 PRO CB C 13 28.641 0.400 . 1 . . . . 38 PRO CB . 7359 1 330 . 1 1 38 38 PRO CG C 13 25.764 0.400 . 1 . . . . 38 PRO CG . 7359 1 331 . 1 1 38 38 PRO CD C 13 47.264 0.400 . 1 . . . . 38 PRO CD . 7359 1 332 . 1 1 39 39 ILE H H 1 7.209 0.040 . 1 . . . . 39 ILE H . 7359 1 333 . 1 1 39 39 ILE HA H 1 3.788 0.040 . 1 . . . . 39 ILE HA . 7359 1 334 . 1 1 39 39 ILE HB H 1 1.599 0.040 . 1 . . . . 39 ILE HB . 7359 1 335 . 1 1 39 39 ILE HG12 H 1 1.512 0.040 . 2 . . . . 39 ILE HG12 . 7359 1 336 . 1 1 39 39 ILE HG13 H 1 1.188 0.040 . 2 . . . . 39 ILE HG13 . 7359 1 337 . 1 1 39 39 ILE HG21 H 1 0.632 0.040 . 1 . . . . 39 ILE HG2 . 7359 1 338 . 1 1 39 39 ILE HG22 H 1 0.632 0.040 . 1 . . . . 39 ILE HG2 . 7359 1 339 . 1 1 39 39 ILE HG23 H 1 0.632 0.040 . 1 . . . . 39 ILE HG2 . 7359 1 340 . 1 1 39 39 ILE HD11 H 1 0.833 0.040 . 1 . . . . 39 ILE HD1 . 7359 1 341 . 1 1 39 39 ILE HD12 H 1 0.833 0.040 . 1 . . . . 39 ILE HD1 . 7359 1 342 . 1 1 39 39 ILE HD13 H 1 0.833 0.040 . 1 . . . . 39 ILE HD1 . 7359 1 343 . 1 1 39 39 ILE CA C 13 61.611 0.400 . 1 . . . . 39 ILE CA . 7359 1 344 . 1 1 39 39 ILE CB C 13 33.513 0.400 . 1 . . . . 39 ILE CB . 7359 1 345 . 1 1 39 39 ILE CG1 C 13 26.274 0.400 . 1 . . . . 39 ILE CG1 . 7359 1 346 . 1 1 39 39 ILE CG2 C 13 14.993 0.400 . 1 . . . . 39 ILE CG2 . 7359 1 347 . 1 1 39 39 ILE CD1 C 13 9.806 0.400 . 1 . . . . 39 ILE CD1 . 7359 1 348 . 1 1 39 39 ILE N N 15 118.293 0.400 . 1 . . . . 39 ILE N . 7359 1 349 . 1 1 40 40 ILE H H 1 7.444 0.040 . 1 . . . . 40 ILE H . 7359 1 350 . 1 1 40 40 ILE HA H 1 3.661 0.040 . 1 . . . . 40 ILE HA . 7359 1 351 . 1 1 40 40 ILE HB H 1 2.101 0.040 . 1 . . . . 40 ILE HB . 7359 1 352 . 1 1 40 40 ILE HG12 H 1 1.331 0.040 . 1 . . . . 40 ILE HG12 . 7359 1 353 . 1 1 40 40 ILE HG13 H 1 1.331 0.040 . 1 . . . . 40 ILE HG13 . 7359 1 354 . 1 1 40 40 ILE HG21 H 1 0.681 0.040 . 1 . . . . 40 ILE HG2 . 7359 1 355 . 1 1 40 40 ILE HG22 H 1 0.681 0.040 . 1 . . . . 40 ILE HG2 . 7359 1 356 . 1 1 40 40 ILE HG23 H 1 0.681 0.040 . 1 . . . . 40 ILE HG2 . 7359 1 357 . 1 1 40 40 ILE HD11 H 1 0.821 0.040 . 1 . . . . 40 ILE HD1 . 7359 1 358 . 1 1 40 40 ILE HD12 H 1 0.821 0.040 . 1 . . . . 40 ILE HD1 . 7359 1 359 . 1 1 40 40 ILE HD13 H 1 0.821 0.040 . 1 . . . . 40 ILE HD1 . 7359 1 360 . 1 1 40 40 ILE CA C 13 58.349 0.400 . 1 . . . . 40 ILE CA . 7359 1 361 . 1 1 40 40 ILE CB C 13 32.515 0.400 . 1 . . . . 40 ILE CB . 7359 1 362 . 1 1 40 40 ILE CG1 C 13 24.186 0.400 . 1 . . . . 40 ILE CG1 . 7359 1 363 . 1 1 40 40 ILE CG2 C 13 15.966 0.400 . 1 . . . . 40 ILE CG2 . 7359 1 364 . 1 1 40 40 ILE CD1 C 13 7.088 0.400 . 1 . . . . 40 ILE CD1 . 7359 1 365 . 1 1 40 40 ILE N N 15 121.403 0.400 . 1 . . . . 40 ILE N . 7359 1 366 . 1 1 41 41 ALA H H 1 8.206 0.040 . 1 . . . . 41 ALA H . 7359 1 367 . 1 1 41 41 ALA HA H 1 3.957 0.040 . 1 . . . . 41 ALA HA . 7359 1 368 . 1 1 41 41 ALA HB1 H 1 1.529 0.040 . 1 . . . . 41 ALA HB . 7359 1 369 . 1 1 41 41 ALA HB2 H 1 1.529 0.040 . 1 . . . . 41 ALA HB . 7359 1 370 . 1 1 41 41 ALA HB3 H 1 1.529 0.040 . 1 . . . . 41 ALA HB . 7359 1 371 . 1 1 41 41 ALA CA C 13 52.635 0.400 . 1 . . . . 41 ALA CA . 7359 1 372 . 1 1 41 41 ALA CB C 13 15.398 0.400 . 1 . . . . 41 ALA CB . 7359 1 373 . 1 1 41 41 ALA N N 15 121.152 0.400 . 1 . . . . 41 ALA N . 7359 1 374 . 1 1 42 42 GLN H H 1 7.249 0.040 . 1 . . . . 42 GLN H . 7359 1 375 . 1 1 42 42 GLN HA H 1 4.123 0.040 . 1 . . . . 42 GLN HA . 7359 1 376 . 1 1 42 42 GLN HB2 H 1 2.368 0.040 . 1 . . . . 42 GLN HB2 . 7359 1 377 . 1 1 42 42 GLN HB3 H 1 2.368 0.040 . 1 . . . . 42 GLN HB3 . 7359 1 378 . 1 1 42 42 GLN HG2 H 1 2.664 0.040 . 2 . . . . 42 GLN HG2 . 7359 1 379 . 1 1 42 42 GLN HG3 H 1 2.468 0.040 . 2 . . . . 42 GLN HG3 . 7359 1 380 . 1 1 42 42 GLN HE21 H 1 7.217 0.040 . 2 . . . . 42 GLN HE21 . 7359 1 381 . 1 1 42 42 GLN HE22 H 1 6.775 0.040 . 2 . . . . 42 GLN HE22 . 7359 1 382 . 1 1 42 42 GLN CA C 13 56.169 0.400 . 1 . . . . 42 GLN CA . 7359 1 383 . 1 1 42 42 GLN CB C 13 27.076 0.400 . 1 . . . . 42 GLN CB . 7359 1 384 . 1 1 42 42 GLN CG C 13 32.140 0.400 . 1 . . . . 42 GLN CG . 7359 1 385 . 1 1 42 42 GLN N N 15 116.414 0.400 . 1 . . . . 42 GLN N . 7359 1 386 . 1 1 42 42 GLN NE2 N 15 109.867 0.400 . 1 . . . . 42 GLN NE2 . 7359 1 387 . 1 1 43 43 LEU H H 1 8.735 0.040 . 1 . . . . 43 LEU H . 7359 1 388 . 1 1 43 43 LEU HA H 1 3.591 0.040 . 1 . . . . 43 LEU HA . 7359 1 389 . 1 1 43 43 LEU HB2 H 1 2.182 0.040 . 2 . . . . 43 LEU HB2 . 7359 1 390 . 1 1 43 43 LEU HB3 H 1 1.792 0.040 . 2 . . . . 43 LEU HB3 . 7359 1 391 . 1 1 43 43 LEU HG H 1 1.656 0.040 . 1 . . . . 43 LEU HG . 7359 1 392 . 1 1 43 43 LEU HD11 H 1 1.162 0.040 . 1 . . . . 43 LEU HD1 . 7359 1 393 . 1 1 43 43 LEU HD12 H 1 1.162 0.040 . 1 . . . . 43 LEU HD1 . 7359 1 394 . 1 1 43 43 LEU HD13 H 1 1.162 0.040 . 1 . . . . 43 LEU HD1 . 7359 1 395 . 1 1 43 43 LEU HD21 H 1 22.109 0.040 . 1 . . . . 43 LEU HD2 . 7359 1 396 . 1 1 43 43 LEU HD22 H 1 22.109 0.040 . 1 . . . . 43 LEU HD2 . 7359 1 397 . 1 1 43 43 LEU HD23 H 1 22.109 0.040 . 1 . . . . 43 LEU HD2 . 7359 1 398 . 1 1 43 43 LEU CA C 13 55.572 0.400 . 1 . . . . 43 LEU CA . 7359 1 399 . 1 1 43 43 LEU CB C 13 39.606 0.400 . 1 . . . . 43 LEU CB . 7359 1 400 . 1 1 43 43 LEU CG C 13 24.655 0.400 . 1 . . . . 43 LEU CG . 7359 1 401 . 1 1 43 43 LEU CD1 C 13 23.384 0.400 . 1 . . . . 43 LEU CD1 . 7359 1 402 . 1 1 43 43 LEU CD2 C 13 22.169 0.400 . 1 . . . . 43 LEU CD2 . 7359 1 403 . 1 1 43 43 LEU N N 15 122.553 0.400 . 1 . . . . 43 LEU N . 7359 1 404 . 1 1 44 44 LYS H H 1 8.229 0.040 . 1 . . . . 44 LYS H . 7359 1 405 . 1 1 44 44 LYS HA H 1 3.643 0.040 . 1 . . . . 44 LYS HA . 7359 1 406 . 1 1 44 44 LYS HB2 H 1 1.673 0.040 . 2 . . . . 44 LYS HB2 . 7359 1 407 . 1 1 44 44 LYS HB3 H 1 1.507 0.040 . 2 . . . . 44 LYS HB3 . 7359 1 408 . 1 1 44 44 LYS HG2 H 1 1.152 0.040 . 2 . . . . 44 LYS HG2 . 7359 1 409 . 1 1 44 44 LYS HG3 H 1 0.967 0.040 . 2 . . . . 44 LYS HG3 . 7359 1 410 . 1 1 44 44 LYS HD2 H 1 1.394 0.040 . 2 . . . . 44 LYS HD2 . 7359 1 411 . 1 1 44 44 LYS HD3 H 1 1.356 0.040 . 2 . . . . 44 LYS HD3 . 7359 1 412 . 1 1 44 44 LYS HE2 H 1 2.872 0.040 . 2 . . . . 44 LYS HE2 . 7359 1 413 . 1 1 44 44 LYS HE3 H 1 2.832 0.040 . 2 . . . . 44 LYS HE3 . 7359 1 414 . 1 1 44 44 LYS CA C 13 57.116 0.400 . 1 . . . . 44 LYS CA . 7359 1 415 . 1 1 44 44 LYS CB C 13 29.665 0.400 . 1 . . . . 44 LYS CB . 7359 1 416 . 1 1 44 44 LYS CG C 13 22.406 0.400 . 1 . . . . 44 LYS CG . 7359 1 417 . 1 1 44 44 LYS CD C 13 27.204 0.400 . 1 . . . . 44 LYS CD . 7359 1 418 . 1 1 44 44 LYS CE C 13 39.106 0.400 . 1 . . . . 44 LYS CE . 7359 1 419 . 1 1 44 44 LYS N N 15 116.235 0.400 . 1 . . . . 44 LYS N . 7359 1 420 . 1 1 45 45 GLN H H 1 7.182 0.040 . 1 . . . . 45 GLN H . 7359 1 421 . 1 1 45 45 GLN HA H 1 4.303 0.040 . 1 . . . . 45 GLN HA . 7359 1 422 . 1 1 45 45 GLN HB2 H 1 2.337 0.040 . 2 . . . . 45 GLN HB2 . 7359 1 423 . 1 1 45 45 GLN HB3 H 1 2.217 0.040 . 2 . . . . 45 GLN HB3 . 7359 1 424 . 1 1 45 45 GLN HG2 H 1 2.630 0.040 . 2 . . . . 45 GLN HG2 . 7359 1 425 . 1 1 45 45 GLN HG3 H 1 2.557 0.040 . 2 . . . . 45 GLN HG3 . 7359 1 426 . 1 1 45 45 GLN CA C 13 54.496 0.400 . 1 . . . . 45 GLN CA . 7359 1 427 . 1 1 45 45 GLN CB C 13 26.367 0.400 . 1 . . . . 45 GLN CB . 7359 1 428 . 1 1 45 45 GLN CG C 13 31.362 0.400 . 1 . . . . 45 GLN CG . 7359 1 429 . 1 1 45 45 GLN N N 15 115.165 0.400 . 1 . . . . 45 GLN N . 7359 1 430 . 1 1 46 46 GLN H H 1 7.551 0.040 . 1 . . . . 46 GLN H . 7359 1 431 . 1 1 46 46 GLN HA H 1 4.613 0.040 . 1 . . . . 46 GLN HA . 7359 1 432 . 1 1 46 46 GLN HB2 H 1 2.137 0.040 . 2 . . . . 46 GLN HB2 . 7359 1 433 . 1 1 46 46 GLN HB3 H 1 2.037 0.040 . 2 . . . . 46 GLN HB3 . 7359 1 434 . 1 1 46 46 GLN HG2 H 1 2.027 0.040 . 1 . . . . 46 GLN HG2 . 7359 1 435 . 1 1 46 46 GLN HG3 H 1 2.027 0.040 . 1 . . . . 46 GLN HG3 . 7359 1 436 . 1 1 46 46 GLN HE21 H 1 7.064 0.040 . 2 . . . . 46 GLN HE21 . 7359 1 437 . 1 1 46 46 GLN HE22 H 1 6.936 0.040 . 2 . . . . 46 GLN HE22 . 7359 1 438 . 1 1 46 46 GLN CA C 13 51.667 0.400 . 1 . . . . 46 GLN CA . 7359 1 439 . 1 1 46 46 GLN CB C 13 26.459 0.400 . 1 . . . . 46 GLN CB . 7359 1 440 . 1 1 46 46 GLN CG C 13 29.894 0.400 . 1 . . . . 46 GLN CG . 7359 1 441 . 1 1 46 46 GLN N N 15 114.993 0.400 . 1 . . . . 46 GLN N . 7359 1 442 . 1 1 46 46 GLN NE2 N 15 111.145 0.400 . 1 . . . . 46 GLN NE2 . 7359 1 443 . 1 1 47 47 LEU H H 1 7.067 0.040 . 1 . . . . 47 LEU H . 7359 1 444 . 1 1 47 47 LEU HA H 1 4.523 0.040 . 1 . . . . 47 LEU HA . 7359 1 445 . 1 1 47 47 LEU HB2 H 1 1.913 0.040 . 2 . . . . 47 LEU HB2 . 7359 1 446 . 1 1 47 47 LEU HB3 H 1 1.459 0.040 . 2 . . . . 47 LEU HB3 . 7359 1 447 . 1 1 47 47 LEU HG H 1 2.231 0.040 . 1 . . . . 47 LEU HG . 7359 1 448 . 1 1 47 47 LEU HD11 H 1 1.046 0.040 . 1 . . . . 47 LEU HD1 . 7359 1 449 . 1 1 47 47 LEU HD12 H 1 1.046 0.040 . 1 . . . . 47 LEU HD1 . 7359 1 450 . 1 1 47 47 LEU HD13 H 1 1.046 0.040 . 1 . . . . 47 LEU HD1 . 7359 1 451 . 1 1 47 47 LEU HD21 H 1 0.929 0.040 . 1 . . . . 47 LEU HD2 . 7359 1 452 . 1 1 47 47 LEU HD22 H 1 0.929 0.040 . 1 . . . . 47 LEU HD2 . 7359 1 453 . 1 1 47 47 LEU HD23 H 1 0.929 0.040 . 1 . . . . 47 LEU HD2 . 7359 1 454 . 1 1 47 47 LEU CA C 13 50.651 0.400 . 1 . . . . 47 LEU CA . 7359 1 455 . 1 1 47 47 LEU CB C 13 38.669 0.400 . 1 . . . . 47 LEU CB . 7359 1 456 . 1 1 47 47 LEU CG C 13 23.321 0.400 . 1 . . . . 47 LEU CG . 7359 1 457 . 1 1 47 47 LEU CD1 C 13 23.250 0.400 . 1 . . . . 47 LEU CD1 . 7359 1 458 . 1 1 47 47 LEU CD2 C 13 21.165 0.400 . 1 . . . . 47 LEU CD2 . 7359 1 459 . 1 1 47 47 LEU N N 15 121.063 0.400 . 1 . . . . 47 LEU N . 7359 1 460 . 1 1 48 48 PRO HA H 1 4.598 0.040 . 1 . . . . 48 PRO HA . 7359 1 461 . 1 1 48 48 PRO HB2 H 1 2.471 0.040 . 2 . . . . 48 PRO HB2 . 7359 1 462 . 1 1 48 48 PRO HB3 H 1 2.034 0.040 . 2 . . . . 48 PRO HB3 . 7359 1 463 . 1 1 48 48 PRO HG2 H 1 2.175 0.040 . 2 . . . . 48 PRO HG2 . 7359 1 464 . 1 1 48 48 PRO HG3 H 1 2.062 0.040 . 2 . . . . 48 PRO HG3 . 7359 1 465 . 1 1 48 48 PRO HD2 H 1 4.063 0.040 . 2 . . . . 48 PRO HD2 . 7359 1 466 . 1 1 48 48 PRO HD3 H 1 3.336 0.040 . 2 . . . . 48 PRO HD3 . 7359 1 467 . 1 1 48 48 PRO CA C 13 59.768 0.400 . 1 . . . . 48 PRO CA . 7359 1 468 . 1 1 48 48 PRO CB C 13 29.787 0.400 . 1 . . . . 48 PRO CB . 7359 1 469 . 1 1 48 48 PRO CG C 13 24.791 0.400 . 1 . . . . 48 PRO CG . 7359 1 470 . 1 1 48 48 PRO CD C 13 47.758 0.400 . 1 . . . . 48 PRO CD . 7359 1 471 . 1 1 49 49 GLU H H 1 8.579 0.040 . 1 . . . . 49 GLU H . 7359 1 472 . 1 1 49 49 GLU HA H 1 4.204 0.040 . 1 . . . . 49 GLU HA . 7359 1 473 . 1 1 49 49 GLU HB2 H 1 2.159 0.040 . 2 . . . . 49 GLU HB2 . 7359 1 474 . 1 1 49 49 GLU HB3 H 1 2.114 0.040 . 2 . . . . 49 GLU HB3 . 7359 1 475 . 1 1 49 49 GLU HG2 H 1 2.460 0.040 . 1 . . . . 49 GLU HG2 . 7359 1 476 . 1 1 49 49 GLU HG3 H 1 2.460 0.040 . 1 . . . . 49 GLU HG3 . 7359 1 477 . 1 1 49 49 GLU CA C 13 55.774 0.400 . 1 . . . . 49 GLU CA . 7359 1 478 . 1 1 49 49 GLU CB C 13 26.983 0.400 . 1 . . . . 49 GLU CB . 7359 1 479 . 1 1 49 49 GLU CG C 13 33.598 0.400 . 1 . . . . 49 GLU CG . 7359 1 480 . 1 1 49 49 GLU N N 15 121.850 0.400 . 1 . . . . 49 GLU N . 7359 1 481 . 1 1 50 50 GLY H H 1 8.776 0.040 . 1 . . . . 50 GLY H . 7359 1 482 . 1 1 50 50 GLY HA2 H 1 4.390 0.040 . 2 . . . . 50 GLY HA2 . 7359 1 483 . 1 1 50 50 GLY HA3 H 1 3.898 0.040 . 2 . . . . 50 GLY HA3 . 7359 1 484 . 1 1 50 50 GLY CA C 13 42.620 0.400 . 1 . . . . 50 GLY CA . 7359 1 485 . 1 1 50 50 GLY N N 15 112.196 0.400 . 1 . . . . 50 GLY N . 7359 1 486 . 1 1 51 51 ALA H H 1 7.805 0.040 . 1 . . . . 51 ALA H . 7359 1 487 . 1 1 51 51 ALA HA H 1 4.777 0.040 . 1 . . . . 51 ALA HA . 7359 1 488 . 1 1 51 51 ALA HB1 H 1 1.472 0.040 . 1 . . . . 51 ALA HB . 7359 1 489 . 1 1 51 51 ALA HB2 H 1 1.472 0.040 . 1 . . . . 51 ALA HB . 7359 1 490 . 1 1 51 51 ALA HB3 H 1 1.472 0.040 . 1 . . . . 51 ALA HB . 7359 1 491 . 1 1 51 51 ALA CA C 13 48.685 0.400 . 1 . . . . 51 ALA CA . 7359 1 492 . 1 1 51 51 ALA CB C 13 17.671 0.400 . 1 . . . . 51 ALA CB . 7359 1 493 . 1 1 51 51 ALA N N 15 122.083 0.400 . 1 . . . . 51 ALA N . 7359 1 494 . 1 1 52 52 LYS H H 1 7.857 0.040 . 1 . . . . 52 LYS H . 7359 1 495 . 1 1 52 52 LYS HA H 1 4.793 0.040 . 1 . . . . 52 LYS HA . 7359 1 496 . 1 1 52 52 LYS HB2 H 1 1.994 0.040 . 2 . . . . 52 LYS HB2 . 7359 1 497 . 1 1 52 52 LYS HB3 H 1 1.946 0.040 . 2 . . . . 52 LYS HB3 . 7359 1 498 . 1 1 52 52 LYS HG2 H 1 1.704 0.040 . 2 . . . . 52 LYS HG2 . 7359 1 499 . 1 1 52 52 LYS HG3 H 1 1.597 0.040 . 2 . . . . 52 LYS HG3 . 7359 1 500 . 1 1 52 52 LYS HD2 H 1 1.853 0.040 . 1 . . . . 52 LYS HD2 . 7359 1 501 . 1 1 52 52 LYS HD3 H 1 1.853 0.040 . 1 . . . . 52 LYS HD3 . 7359 1 502 . 1 1 52 52 LYS HE2 H 1 3.157 0.040 . 1 . . . . 52 LYS HE2 . 7359 1 503 . 1 1 52 52 LYS HE3 H 1 3.157 0.040 . 1 . . . . 52 LYS HE3 . 7359 1 504 . 1 1 52 52 LYS CA C 13 52.503 0.400 . 1 . . . . 52 LYS CA . 7359 1 505 . 1 1 52 52 LYS CB C 13 32.515 0.400 . 1 . . . . 52 LYS CB . 7359 1 506 . 1 1 52 52 LYS CG C 13 22.595 0.400 . 1 . . . . 52 LYS CG . 7359 1 507 . 1 1 52 52 LYS N N 15 121.691 0.400 . 1 . . . . 52 LYS N . 7359 1 508 . 1 1 53 53 PHE H H 1 8.719 0.040 . 1 . . . . 53 PHE H . 7359 1 509 . 1 1 53 53 PHE HA H 1 5.744 0.040 . 1 . . . . 53 PHE HA . 7359 1 510 . 1 1 53 53 PHE HB2 H 1 3.139 0.040 . 2 . . . . 53 PHE HB2 . 7359 1 511 . 1 1 53 53 PHE HB3 H 1 2.944 0.040 . 2 . . . . 53 PHE HB3 . 7359 1 512 . 1 1 53 53 PHE HD1 H 1 7.174 0.040 . 1 . . . . 53 PHE HD1 . 7359 1 513 . 1 1 53 53 PHE HD2 H 1 7.174 0.040 . 1 . . . . 53 PHE HD2 . 7359 1 514 . 1 1 53 53 PHE HE1 H 1 7.174 0.040 . 1 . . . . 53 PHE HE1 . 7359 1 515 . 1 1 53 53 PHE HE2 H 1 7.174 0.040 . 1 . . . . 53 PHE HE2 . 7359 1 516 . 1 1 53 53 PHE HZ H 1 7.174 0.040 . 1 . . . . 53 PHE HZ . 7359 1 517 . 1 1 53 53 PHE CA C 13 53.802 0.400 . 1 . . . . 53 PHE CA . 7359 1 518 . 1 1 53 53 PHE CB C 13 39.345 0.400 . 1 . . . . 53 PHE CB . 7359 1 519 . 1 1 53 53 PHE N N 15 122.535 0.400 . 1 . . . . 53 PHE N . 7359 1 520 . 1 1 54 54 GLN H H 1 8.523 0.040 . 1 . . . . 54 GLN H . 7359 1 521 . 1 1 54 54 GLN HA H 1 4.578 0.040 . 1 . . . . 54 GLN HA . 7359 1 522 . 1 1 54 54 GLN HB2 H 1 1.984 0.040 . 2 . . . . 54 GLN HB2 . 7359 1 523 . 1 1 54 54 GLN HB3 H 1 1.862 0.040 . 2 . . . . 54 GLN HB3 . 7359 1 524 . 1 1 54 54 GLN HG2 H 1 2.293 0.040 . 2 . . . . 54 GLN HG2 . 7359 1 525 . 1 1 54 54 GLN HG3 H 1 2.180 0.040 . 2 . . . . 54 GLN HG3 . 7359 1 526 . 1 1 54 54 GLN HE21 H 1 7.419 0.040 . 2 . . . . 54 GLN HE21 . 7359 1 527 . 1 1 54 54 GLN HE22 H 1 6.761 0.040 . 2 . . . . 54 GLN HE22 . 7359 1 528 . 1 1 54 54 GLN CA C 13 51.526 0.400 . 1 . . . . 54 GLN CA . 7359 1 529 . 1 1 54 54 GLN CB C 13 29.409 0.400 . 1 . . . . 54 GLN CB . 7359 1 530 . 1 1 54 54 GLN CG C 13 31.001 0.400 . 1 . . . . 54 GLN CG . 7359 1 531 . 1 1 54 54 GLN N N 15 127.891 0.400 . 1 . . . . 54 GLN N . 7359 1 532 . 1 1 54 54 GLN NE2 N 15 110.246 0.400 . 1 . . . . 54 GLN NE2 . 7359 1 533 . 1 1 55 55 LYS H H 1 8.549 0.040 . 1 . . . . 55 LYS H . 7359 1 534 . 1 1 55 55 LYS CA C 13 52.528 0.400 . 1 . . . . 55 LYS CA . 7359 1 535 . 1 1 55 55 LYS N N 15 126.837 0.400 . 1 . . . . 55 LYS N . 7359 1 536 . 1 1 57 57 HIS H H 1 11.389 0.040 . 1 . . . . 57 HIS H . 7359 1 537 . 1 1 57 57 HIS HA H 1 4.109 0.040 . 1 . . . . 57 HIS HA . 7359 1 538 . 1 1 57 57 HIS HB2 H 1 3.011 0.040 . 2 . . . . 57 HIS HB2 . 7359 1 539 . 1 1 57 57 HIS HB3 H 1 2.509 0.040 . 2 . . . . 57 HIS HB3 . 7359 1 540 . 1 1 57 57 HIS CA C 13 54.023 0.400 . 1 . . . . 57 HIS CA . 7359 1 541 . 1 1 57 57 HIS CB C 13 27.768 0.400 . 1 . . . . 57 HIS CB . 7359 1 542 . 1 1 57 57 HIS N N 15 112.645 0.400 . 1 . . . . 57 HIS N . 7359 1 543 . 1 1 58 58 VAL H H 1 7.340 0.040 . 1 . . . . 58 VAL H . 7359 1 544 . 1 1 58 58 VAL HA H 1 4.963 0.040 . 1 . . . . 58 VAL HA . 7359 1 545 . 1 1 58 58 VAL HB H 1 1.917 0.040 . 1 . . . . 58 VAL HB . 7359 1 546 . 1 1 58 58 VAL HG11 H 1 0.631 0.040 . 1 . . . . 58 VAL HG1 . 7359 1 547 . 1 1 58 58 VAL HG12 H 1 0.631 0.040 . 1 . . . . 58 VAL HG1 . 7359 1 548 . 1 1 58 58 VAL HG13 H 1 0.631 0.040 . 1 . . . . 58 VAL HG1 . 7359 1 549 . 1 1 58 58 VAL HG21 H 1 0.262 0.040 . 1 . . . . 58 VAL HG2 . 7359 1 550 . 1 1 58 58 VAL HG22 H 1 0.262 0.040 . 1 . . . . 58 VAL HG2 . 7359 1 551 . 1 1 58 58 VAL HG23 H 1 0.262 0.040 . 1 . . . . 58 VAL HG2 . 7359 1 552 . 1 1 58 58 VAL CA C 13 56.528 0.400 . 1 . . . . 58 VAL CA . 7359 1 553 . 1 1 58 58 VAL CB C 13 30.392 0.400 . 1 . . . . 58 VAL CB . 7359 1 554 . 1 1 58 58 VAL CG1 C 13 19.444 0.400 . 1 . . . . 58 VAL CG1 . 7359 1 555 . 1 1 58 58 VAL CG2 C 13 16.239 0.400 . 1 . . . . 58 VAL CG2 . 7359 1 556 . 1 1 58 58 VAL N N 15 117.412 0.400 . 1 . . . . 58 VAL N . 7359 1 557 . 1 1 59 59 SER H H 1 9.899 0.040 . 1 . . . . 59 SER H . 7359 1 558 . 1 1 59 59 SER HB2 H 1 4.047 0.040 . 1 . . . . 59 SER HB2 . 7359 1 559 . 1 1 59 59 SER HB3 H 1 4.047 0.040 . 1 . . . . 59 SER HB3 . 7359 1 560 . 1 1 59 59 SER CA C 13 56.974 0.400 . 1 . . . . 59 SER CA . 7359 1 561 . 1 1 59 59 SER CB C 13 60.915 0.400 . 1 . . . . 59 SER CB . 7359 1 562 . 1 1 59 59 SER N N 15 117.794 0.400 . 1 . . . . 59 SER N . 7359 1 563 . 1 1 60 60 PHE H H 1 6.942 0.040 . 1 . . . . 60 PHE H . 7359 1 564 . 1 1 60 60 PHE HA H 1 4.607 0.040 . 1 . . . . 60 PHE HA . 7359 1 565 . 1 1 60 60 PHE HB2 H 1 3.417 0.040 . 2 . . . . 60 PHE HB2 . 7359 1 566 . 1 1 60 60 PHE HB3 H 1 3.346 0.040 . 2 . . . . 60 PHE HB3 . 7359 1 567 . 1 1 60 60 PHE CA C 13 56.471 0.400 . 1 . . . . 60 PHE CA . 7359 1 568 . 1 1 60 60 PHE CB C 13 35.360 0.400 . 1 . . . . 60 PHE CB . 7359 1 569 . 1 1 60 60 PHE N N 15 115.292 0.400 . 1 . . . . 60 PHE N . 7359 1 570 . 1 1 61 61 MET H H 1 6.705 0.040 . 1 . . . . 61 MET H . 7359 1 571 . 1 1 61 61 MET CA C 13 52.391 0.400 . 1 . . . . 61 MET CA . 7359 1 572 . 1 1 61 61 MET CB C 13 31.947 0.400 . 1 . . . . 61 MET CB . 7359 1 573 . 1 1 61 61 MET N N 15 118.978 0.400 . 1 . . . . 61 MET N . 7359 1 574 . 1 1 62 62 GLY H H 1 8.561 0.040 . 1 . . . . 62 GLY H . 7359 1 575 . 1 1 62 62 GLY HA2 H 1 3.482 0.040 . 2 . . . . 62 GLY HA2 . 7359 1 576 . 1 1 62 62 GLY HA3 H 1 2.834 0.040 . 2 . . . . 62 GLY HA3 . 7359 1 577 . 1 1 62 62 GLY CA C 13 41.145 0.400 . 1 . . . . 62 GLY CA . 7359 1 578 . 1 1 62 62 GLY N N 15 108.277 0.400 . 1 . . . . 62 GLY N . 7359 1 579 . 1 1 63 63 GLY H H 1 8.583 0.040 . 1 . . . . 63 GLY H . 7359 1 580 . 1 1 63 63 GLY HA2 H 1 4.118 0.040 . 2 . . . . 63 GLY HA2 . 7359 1 581 . 1 1 63 63 GLY HA3 H 1 3.929 0.040 . 2 . . . . 63 GLY HA3 . 7359 1 582 . 1 1 63 63 GLY CA C 13 43.637 0.400 . 1 . . . . 63 GLY CA . 7359 1 583 . 1 1 63 63 GLY N N 15 111.541 0.400 . 1 . . . . 63 GLY N . 7359 1 584 . 1 1 64 64 ASN HA H 1 4.753 0.040 . 1 . . . . 64 ASN HA . 7359 1 585 . 1 1 64 64 ASN HB2 H 1 3.151 0.040 . 2 . . . . 64 ASN HB2 . 7359 1 586 . 1 1 64 64 ASN HB3 H 1 3.079 0.040 . 2 . . . . 64 ASN HB3 . 7359 1 587 . 1 1 64 64 ASN CA C 13 52.837 0.400 . 1 . . . . 64 ASN CA . 7359 1 588 . 1 1 64 64 ASN CB C 13 35.093 0.400 . 1 . . . . 64 ASN CB . 7359 1 589 . 1 1 65 65 MET H H 1 7.816 0.040 . 1 . . . . 65 MET H . 7359 1 590 . 1 1 65 65 MET HA H 1 5.154 0.040 . 1 . . . . 65 MET HA . 7359 1 591 . 1 1 65 65 MET HB2 H 1 2.754 0.040 . 2 . . . . 65 MET HB2 . 7359 1 592 . 1 1 65 65 MET HB3 H 1 2.182 0.040 . 2 . . . . 65 MET HB3 . 7359 1 593 . 1 1 65 65 MET HG2 H 1 2.912 0.040 . 2 . . . . 65 MET HG2 . 7359 1 594 . 1 1 65 65 MET HG3 H 1 2.529 0.040 . 2 . . . . 65 MET HG3 . 7359 1 595 . 1 1 65 65 MET HE1 H 1 1.910 0.040 . 1 . . . . 65 MET HE . 7359 1 596 . 1 1 65 65 MET HE2 H 1 1.910 0.040 . 1 . . . . 65 MET HE . 7359 1 597 . 1 1 65 65 MET HE3 H 1 1.910 0.040 . 1 . . . . 65 MET HE . 7359 1 598 . 1 1 65 65 MET CA C 13 51.314 0.400 . 1 . . . . 65 MET CA . 7359 1 599 . 1 1 65 65 MET CB C 13 29.087 0.400 . 1 . . . . 65 MET CB . 7359 1 600 . 1 1 65 65 MET CG C 13 30.145 0.400 . 1 . . . . 65 MET CG . 7359 1 601 . 1 1 65 65 MET CE C 13 13.372 0.400 . 1 . . . . 65 MET CE . 7359 1 602 . 1 1 65 65 MET N N 15 117.999 0.400 . 1 . . . . 65 MET N . 7359 1 603 . 1 1 66 66 GLY H H 1 7.907 0.040 . 1 . . . . 66 GLY H . 7359 1 604 . 1 1 66 66 GLY HA2 H 1 4.538 0.040 . 2 . . . . 66 GLY HA2 . 7359 1 605 . 1 1 66 66 GLY HA3 H 1 4.166 0.040 . 2 . . . . 66 GLY HA3 . 7359 1 606 . 1 1 66 66 GLY CA C 13 47.140 0.400 . 1 . . . . 66 GLY CA . 7359 1 607 . 1 1 66 66 GLY N N 15 110.014 0.400 . 1 . . . . 66 GLY N . 7359 1 608 . 1 1 67 67 GLN H H 1 8.463 0.040 . 1 . . . . 67 GLN H . 7359 1 609 . 1 1 67 67 GLN HA H 1 4.396 0.040 . 1 . . . . 67 GLN HA . 7359 1 610 . 1 1 67 67 GLN HB2 H 1 2.363 0.040 . 1 . . . . 67 GLN HB2 . 7359 1 611 . 1 1 67 67 GLN HB3 H 1 2.363 0.040 . 1 . . . . 67 GLN HB3 . 7359 1 612 . 1 1 67 67 GLN HG2 H 1 2.667 0.040 . 2 . . . . 67 GLN HG2 . 7359 1 613 . 1 1 67 67 GLN HG3 H 1 2.514 0.040 . 2 . . . . 67 GLN HG3 . 7359 1 614 . 1 1 67 67 GLN HE21 H 1 7.407 0.040 . 2 . . . . 67 GLN HE21 . 7359 1 615 . 1 1 67 67 GLN HE22 H 1 6.845 0.040 . 2 . . . . 67 GLN HE22 . 7359 1 616 . 1 1 67 67 GLN CA C 13 56.688 0.400 . 1 . . . . 67 GLN CA . 7359 1 617 . 1 1 67 67 GLN CB C 13 25.695 0.400 . 1 . . . . 67 GLN CB . 7359 1 618 . 1 1 67 67 GLN CG C 13 31.999 0.400 . 1 . . . . 67 GLN CG . 7359 1 619 . 1 1 67 67 GLN N N 15 120.406 0.400 . 1 . . . . 67 GLN N . 7359 1 620 . 1 1 67 67 GLN NE2 N 15 111.207 0.400 . 1 . . . . 67 GLN NE2 . 7359 1 621 . 1 1 68 68 ALA H H 1 8.054 0.040 . 1 . . . . 68 ALA H . 7359 1 622 . 1 1 68 68 ALA HA H 1 4.381 0.040 . 1 . . . . 68 ALA HA . 7359 1 623 . 1 1 68 68 ALA HB1 H 1 1.804 0.040 . 1 . . . . 68 ALA HB . 7359 1 624 . 1 1 68 68 ALA HB2 H 1 1.804 0.040 . 1 . . . . 68 ALA HB . 7359 1 625 . 1 1 68 68 ALA HB3 H 1 1.804 0.040 . 1 . . . . 68 ALA HB . 7359 1 626 . 1 1 68 68 ALA CA C 13 52.430 0.400 . 1 . . . . 68 ALA CA . 7359 1 627 . 1 1 68 68 ALA CB C 13 15.916 0.400 . 1 . . . . 68 ALA CB . 7359 1 628 . 1 1 68 68 ALA N N 15 122.898 0.400 . 1 . . . . 68 ALA N . 7359 1 629 . 1 1 69 69 MET H H 1 8.979 0.040 . 1 . . . . 69 MET H . 7359 1 630 . 1 1 69 69 MET HA H 1 4.750 0.040 . 1 . . . . 69 MET HA . 7359 1 631 . 1 1 69 69 MET HB2 H 1 2.682 0.040 . 1 . . . . 69 MET HB2 . 7359 1 632 . 1 1 69 69 MET HB3 H 1 2.682 0.040 . 1 . . . . 69 MET HB3 . 7359 1 633 . 1 1 69 69 MET HG2 H 1 2.793 0.040 . 1 . . . . 69 MET HG2 . 7359 1 634 . 1 1 69 69 MET HG3 H 1 2.793 0.040 . 1 . . . . 69 MET HG3 . 7359 1 635 . 1 1 69 69 MET HE1 H 1 1.894 0.040 . 1 . . . . 69 MET HE . 7359 1 636 . 1 1 69 69 MET HE2 H 1 1.894 0.040 . 1 . . . . 69 MET HE . 7359 1 637 . 1 1 69 69 MET HE3 H 1 1.894 0.040 . 1 . . . . 69 MET HE . 7359 1 638 . 1 1 69 69 MET CA C 13 53.525 0.400 . 1 . . . . 69 MET CA . 7359 1 639 . 1 1 69 69 MET CB C 13 28.071 0.400 . 1 . . . . 69 MET CB . 7359 1 640 . 1 1 69 69 MET CG C 13 30.910 0.400 . 1 . . . . 69 MET CG . 7359 1 641 . 1 1 69 69 MET CE C 13 14.399 0.400 . 1 . . . . 69 MET CE . 7359 1 642 . 1 1 69 69 MET N N 15 118.959 0.400 . 1 . . . . 69 MET N . 7359 1 643 . 1 1 70 70 SER H H 1 8.586 0.040 . 1 . . . . 70 SER H . 7359 1 644 . 1 1 70 70 SER HA H 1 4.585 0.040 . 1 . . . . 70 SER HA . 7359 1 645 . 1 1 70 70 SER CA C 13 59.725 0.400 . 1 . . . . 70 SER CA . 7359 1 646 . 1 1 70 70 SER CB C 13 60.717 0.400 . 1 . . . . 70 SER CB . 7359 1 647 . 1 1 70 70 SER N N 15 118.456 0.400 . 1 . . . . 70 SER N . 7359 1 648 . 1 1 71 71 LYS H H 1 8.767 0.040 . 1 . . . . 71 LYS H . 7359 1 649 . 1 1 71 71 LYS HA H 1 3.904 0.040 . 1 . . . . 71 LYS HA . 7359 1 650 . 1 1 71 71 LYS HB2 H 1 2.217 0.040 . 2 . . . . 71 LYS HB2 . 7359 1 651 . 1 1 71 71 LYS HB3 H 1 1.335 0.040 . 2 . . . . 71 LYS HB3 . 7359 1 652 . 1 1 71 71 LYS HG2 H 1 1.833 0.040 . 2 . . . . 71 LYS HG2 . 7359 1 653 . 1 1 71 71 LYS HG3 H 1 1.113 0.040 . 2 . . . . 71 LYS HG3 . 7359 1 654 . 1 1 71 71 LYS HD2 H 1 1.581 0.040 . 2 . . . . 71 LYS HD2 . 7359 1 655 . 1 1 71 71 LYS HD3 H 1 1.446 0.040 . 2 . . . . 71 LYS HD3 . 7359 1 656 . 1 1 71 71 LYS HE2 H 1 2.624 0.040 . 2 . . . . 71 LYS HE2 . 7359 1 657 . 1 1 71 71 LYS HE3 H 1 2.440 0.040 . 2 . . . . 71 LYS HE3 . 7359 1 658 . 1 1 71 71 LYS CA C 13 57.638 0.400 . 1 . . . . 71 LYS CA . 7359 1 659 . 1 1 71 71 LYS CB C 13 29.759 0.400 . 1 . . . . 71 LYS CB . 7359 1 660 . 1 1 71 71 LYS CG C 13 24.573 0.400 . 1 . . . . 71 LYS CG . 7359 1 661 . 1 1 71 71 LYS CD C 13 26.698 0.400 . 1 . . . . 71 LYS CD . 7359 1 662 . 1 1 71 71 LYS CE C 13 39.345 0.400 . 1 . . . . 71 LYS CE . 7359 1 663 . 1 1 71 71 LYS N N 15 122.824 0.400 . 1 . . . . 71 LYS N . 7359 1 664 . 1 1 72 72 ALA H H 1 9.534 0.040 . 1 . . . . 72 ALA H . 7359 1 665 . 1 1 72 72 ALA HA H 1 4.376 0.040 . 1 . . . . 72 ALA HA . 7359 1 666 . 1 1 72 72 ALA HB1 H 1 2.176 0.040 . 1 . . . . 72 ALA HB . 7359 1 667 . 1 1 72 72 ALA HB2 H 1 2.176 0.040 . 1 . . . . 72 ALA HB . 7359 1 668 . 1 1 72 72 ALA HB3 H 1 2.176 0.040 . 1 . . . . 72 ALA HB . 7359 1 669 . 1 1 72 72 ALA CA C 13 53.107 0.400 . 1 . . . . 72 ALA CA . 7359 1 670 . 1 1 72 72 ALA CB C 13 15.975 0.400 . 1 . . . . 72 ALA CB . 7359 1 671 . 1 1 72 72 ALA N N 15 125.965 0.400 . 1 . . . . 72 ALA N . 7359 1 672 . 1 1 73 73 TYR H H 1 8.732 0.040 . 1 . . . . 73 TYR H . 7359 1 673 . 1 1 73 73 TYR HA H 1 5.042 0.040 . 1 . . . . 73 TYR HA . 7359 1 674 . 1 1 73 73 TYR HB2 H 1 3.492 0.040 . 2 . . . . 73 TYR HB2 . 7359 1 675 . 1 1 73 73 TYR HB3 H 1 3.226 0.040 . 2 . . . . 73 TYR HB3 . 7359 1 676 . 1 1 73 73 TYR HD1 H 1 7.052 0.040 . 1 . . . . 73 TYR HD1 . 7359 1 677 . 1 1 73 73 TYR HD2 H 1 7.052 0.040 . 1 . . . . 73 TYR HD2 . 7359 1 678 . 1 1 73 73 TYR HE1 H 1 7.052 0.040 . 1 . . . . 73 TYR HE1 . 7359 1 679 . 1 1 73 73 TYR HE2 H 1 7.052 0.040 . 1 . . . . 73 TYR HE2 . 7359 1 680 . 1 1 73 73 TYR CA C 13 59.309 0.400 . 1 . . . . 73 TYR CA . 7359 1 681 . 1 1 73 73 TYR CB C 13 35.714 0.400 . 1 . . . . 73 TYR CB . 7359 1 682 . 1 1 73 73 TYR N N 15 119.958 0.400 . 1 . . . . 73 TYR N . 7359 1 683 . 1 1 74 74 ALA H H 1 8.779 0.040 . 1 . . . . 74 ALA H . 7359 1 684 . 1 1 74 74 ALA HA H 1 4.222 0.040 . 1 . . . . 74 ALA HA . 7359 1 685 . 1 1 74 74 ALA HB1 H 1 1.862 0.040 . 1 . . . . 74 ALA HB . 7359 1 686 . 1 1 74 74 ALA HB2 H 1 1.862 0.040 . 1 . . . . 74 ALA HB . 7359 1 687 . 1 1 74 74 ALA HB3 H 1 1.862 0.040 . 1 . . . . 74 ALA HB . 7359 1 688 . 1 1 74 74 ALA CA C 13 52.574 0.400 . 1 . . . . 74 ALA CA . 7359 1 689 . 1 1 74 74 ALA CB C 13 17.802 0.400 . 1 . . . . 74 ALA CB . 7359 1 690 . 1 1 74 74 ALA N N 15 120.161 0.400 . 1 . . . . 74 ALA N . 7359 1 691 . 1 1 75 75 THR H H 1 8.668 0.040 . 1 . . . . 75 THR H . 7359 1 692 . 1 1 75 75 THR HA H 1 3.712 0.040 . 1 . . . . 75 THR HA . 7359 1 693 . 1 1 75 75 THR HB H 1 4.579 0.040 . 1 . . . . 75 THR HB . 7359 1 694 . 1 1 75 75 THR HG21 H 1 0.990 0.040 . 1 . . . . 75 THR HG2 . 7359 1 695 . 1 1 75 75 THR HG22 H 1 0.990 0.040 . 1 . . . . 75 THR HG2 . 7359 1 696 . 1 1 75 75 THR HG23 H 1 0.990 0.040 . 1 . . . . 75 THR HG2 . 7359 1 697 . 1 1 75 75 THR CA C 13 65.527 0.400 . 1 . . . . 75 THR CA . 7359 1 698 . 1 1 75 75 THR CB C 13 64.803 0.400 . 1 . . . . 75 THR CB . 7359 1 699 . 1 1 75 75 THR CG2 C 13 19.390 0.400 . 1 . . . . 75 THR CG2 . 7359 1 700 . 1 1 75 75 THR N N 15 117.204 0.400 . 1 . . . . 75 THR N . 7359 1 701 . 1 1 76 76 MET H H 1 8.353 0.040 . 1 . . . . 76 MET H . 7359 1 702 . 1 1 76 76 MET HA H 1 4.135 0.040 . 1 . . . . 76 MET HA . 7359 1 703 . 1 1 76 76 MET HB2 H 1 2.897 0.040 . 2 . . . . 76 MET HB2 . 7359 1 704 . 1 1 76 76 MET HB3 H 1 1.708 0.040 . 2 . . . . 76 MET HB3 . 7359 1 705 . 1 1 76 76 MET HG2 H 1 2.578 0.040 . 1 . . . . 76 MET HG2 . 7359 1 706 . 1 1 76 76 MET HG3 H 1 2.578 0.040 . 1 . . . . 76 MET HG3 . 7359 1 707 . 1 1 76 76 MET HE1 H 1 1.916 0.040 . 1 . . . . 76 MET HE . 7359 1 708 . 1 1 76 76 MET HE2 H 1 1.916 0.040 . 1 . . . . 76 MET HE . 7359 1 709 . 1 1 76 76 MET HE3 H 1 1.916 0.040 . 1 . . . . 76 MET HE . 7359 1 710 . 1 1 76 76 MET CA C 13 57.423 0.400 . 1 . . . . 76 MET CA . 7359 1 711 . 1 1 76 76 MET CB C 13 28.873 0.400 . 1 . . . . 76 MET CB . 7359 1 712 . 1 1 76 76 MET CG C 13 31.432 0.400 . 1 . . . . 76 MET CG . 7359 1 713 . 1 1 76 76 MET CE C 13 16.652 0.400 . 1 . . . . 76 MET CE . 7359 1 714 . 1 1 76 76 MET N N 15 121.394 0.400 . 1 . . . . 76 MET N . 7359 1 715 . 1 1 77 77 ILE H H 1 7.412 0.040 . 1 . . . . 77 ILE H . 7359 1 716 . 1 1 77 77 ILE HA H 1 3.958 0.040 . 1 . . . . 77 ILE HA . 7359 1 717 . 1 1 77 77 ILE HB H 1 2.191 0.040 . 1 . . . . 77 ILE HB . 7359 1 718 . 1 1 77 77 ILE HG12 H 1 1.399 0.040 . 2 . . . . 77 ILE HG12 . 7359 1 719 . 1 1 77 77 ILE HG13 H 1 1.130 0.040 . 2 . . . . 77 ILE HG13 . 7359 1 720 . 1 1 77 77 ILE HG21 H 1 1.106 0.040 . 1 . . . . 77 ILE HG2 . 7359 1 721 . 1 1 77 77 ILE HG22 H 1 1.106 0.040 . 1 . . . . 77 ILE HG2 . 7359 1 722 . 1 1 77 77 ILE HG23 H 1 1.106 0.040 . 1 . . . . 77 ILE HG2 . 7359 1 723 . 1 1 77 77 ILE HD11 H 1 1.156 0.040 . 1 . . . . 77 ILE HD1 . 7359 1 724 . 1 1 77 77 ILE HD12 H 1 1.156 0.040 . 1 . . . . 77 ILE HD1 . 7359 1 725 . 1 1 77 77 ILE HD13 H 1 1.156 0.040 . 1 . . . . 77 ILE HD1 . 7359 1 726 . 1 1 77 77 ILE CA C 13 61.878 0.400 . 1 . . . . 77 ILE CA . 7359 1 727 . 1 1 77 77 ILE CB C 13 35.132 0.400 . 1 . . . . 77 ILE CB . 7359 1 728 . 1 1 77 77 ILE CG1 C 13 24.730 0.400 . 1 . . . . 77 ILE CG1 . 7359 1 729 . 1 1 77 77 ILE CG2 C 13 14.533 0.400 . 1 . . . . 77 ILE CG2 . 7359 1 730 . 1 1 77 77 ILE CD1 C 13 11.339 0.400 . 1 . . . . 77 ILE CD1 . 7359 1 731 . 1 1 77 77 ILE N N 15 117.573 0.400 . 1 . . . . 77 ILE N . 7359 1 732 . 1 1 78 78 ALA H H 1 8.597 0.040 . 1 . . . . 78 ALA H . 7359 1 733 . 1 1 78 78 ALA HA H 1 4.249 0.040 . 1 . . . . 78 ALA HA . 7359 1 734 . 1 1 78 78 ALA HB1 H 1 1.552 0.040 . 1 . . . . 78 ALA HB . 7359 1 735 . 1 1 78 78 ALA HB2 H 1 1.552 0.040 . 1 . . . . 78 ALA HB . 7359 1 736 . 1 1 78 78 ALA HB3 H 1 1.552 0.040 . 1 . . . . 78 ALA HB . 7359 1 737 . 1 1 78 78 ALA CA C 13 52.578 0.400 . 1 . . . . 78 ALA CA . 7359 1 738 . 1 1 78 78 ALA CB C 13 15.574 0.400 . 1 . . . . 78 ALA CB . 7359 1 739 . 1 1 78 78 ALA N N 15 124.270 0.400 . 1 . . . . 78 ALA N . 7359 1 740 . 1 1 79 79 LEU H H 1 8.316 0.040 . 1 . . . . 79 LEU H . 7359 1 741 . 1 1 79 79 LEU HA H 1 4.533 0.040 . 1 . . . . 79 LEU HA . 7359 1 742 . 1 1 79 79 LEU HB2 H 1 1.988 0.040 . 1 . . . . 79 LEU HB2 . 7359 1 743 . 1 1 79 79 LEU HB3 H 1 1.988 0.040 . 1 . . . . 79 LEU HB3 . 7359 1 744 . 1 1 79 79 LEU HG H 1 1.032 0.040 . 1 . . . . 79 LEU HG . 7359 1 745 . 1 1 79 79 LEU HD11 H 1 0.995 0.040 . 2 . . . . 79 LEU HD1 . 7359 1 746 . 1 1 79 79 LEU HD12 H 1 0.995 0.040 . 2 . . . . 79 LEU HD1 . 7359 1 747 . 1 1 79 79 LEU HD13 H 1 0.995 0.040 . 2 . . . . 79 LEU HD1 . 7359 1 748 . 1 1 79 79 LEU HD21 H 1 0.995 0.040 . 2 . . . . 79 LEU HD2 . 7359 1 749 . 1 1 79 79 LEU HD22 H 1 0.995 0.040 . 2 . . . . 79 LEU HD2 . 7359 1 750 . 1 1 79 79 LEU HD23 H 1 0.995 0.040 . 2 . . . . 79 LEU HD2 . 7359 1 751 . 1 1 79 79 LEU CA C 13 51.886 0.400 . 1 . . . . 79 LEU CA . 7359 1 752 . 1 1 79 79 LEU CB C 13 40.503 0.400 . 1 . . . . 79 LEU CB . 7359 1 753 . 1 1 79 79 LEU CG C 13 23.860 0.400 . 1 . . . . 79 LEU CG . 7359 1 754 . 1 1 79 79 LEU CD1 C 13 20.105 0.400 . 1 . . . . 79 LEU CD1 . 7359 1 755 . 1 1 79 79 LEU CD2 C 13 20.105 0.400 . 1 . . . . 79 LEU CD2 . 7359 1 756 . 1 1 79 79 LEU N N 15 113.884 0.400 . 1 . . . . 79 LEU N . 7359 1 757 . 1 1 80 80 GLU H H 1 8.099 0.040 . 1 . . . . 80 GLU H . 7359 1 758 . 1 1 80 80 GLU HA H 1 4.501 0.040 . 1 . . . . 80 GLU HA . 7359 1 759 . 1 1 80 80 GLU HB2 H 1 2.538 0.040 . 2 . . . . 80 GLU HB2 . 7359 1 760 . 1 1 80 80 GLU HB3 H 1 2.497 0.040 . 2 . . . . 80 GLU HB3 . 7359 1 761 . 1 1 80 80 GLU HG2 H 1 2.496 0.040 . 2 . . . . 80 GLU HG2 . 7359 1 762 . 1 1 80 80 GLU HG3 H 1 2.364 0.040 . 2 . . . . 80 GLU HG3 . 7359 1 763 . 1 1 80 80 GLU CA C 13 54.837 0.400 . 1 . . . . 80 GLU CA . 7359 1 764 . 1 1 80 80 GLU CB C 13 24.357 0.400 . 1 . . . . 80 GLU CB . 7359 1 765 . 1 1 80 80 GLU CG C 13 34.584 0.400 . 1 . . . . 80 GLU CG . 7359 1 766 . 1 1 80 80 GLU N N 15 116.754 0.400 . 1 . . . . 80 GLU N . 7359 1 767 . 1 1 81 81 VAL H H 1 8.518 0.040 . 1 . . . . 81 VAL H . 7359 1 768 . 1 1 81 81 VAL HA H 1 5.318 0.040 . 1 . . . . 81 VAL HA . 7359 1 769 . 1 1 81 81 VAL HB H 1 2.809 0.040 . 1 . . . . 81 VAL HB . 7359 1 770 . 1 1 81 81 VAL HG11 H 1 1.157 0.040 . 1 . . . . 81 VAL HG1 . 7359 1 771 . 1 1 81 81 VAL HG12 H 1 1.157 0.040 . 1 . . . . 81 VAL HG1 . 7359 1 772 . 1 1 81 81 VAL HG13 H 1 1.157 0.040 . 1 . . . . 81 VAL HG1 . 7359 1 773 . 1 1 81 81 VAL HG21 H 1 1.127 0.040 . 1 . . . . 81 VAL HG2 . 7359 1 774 . 1 1 81 81 VAL HG22 H 1 1.127 0.040 . 1 . . . . 81 VAL HG2 . 7359 1 775 . 1 1 81 81 VAL HG23 H 1 1.127 0.040 . 1 . . . . 81 VAL HG2 . 7359 1 776 . 1 1 81 81 VAL CA C 13 56.859 0.400 . 1 . . . . 81 VAL CA . 7359 1 777 . 1 1 81 81 VAL CB C 13 29.779 0.400 . 1 . . . . 81 VAL CB . 7359 1 778 . 1 1 81 81 VAL CG1 C 13 17.524 0.400 . 1 . . . . 81 VAL CG1 . 7359 1 779 . 1 1 81 81 VAL CG2 C 13 17.512 0.400 . 1 . . . . 81 VAL CG2 . 7359 1 780 . 1 1 81 81 VAL N N 15 108.084 0.400 . 1 . . . . 81 VAL N . 7359 1 781 . 1 1 82 82 GLU H H 1 8.883 0.040 . 1 . . . . 82 GLU H . 7359 1 782 . 1 1 82 82 GLU HA H 1 4.019 0.040 . 1 . . . . 82 GLU HA . 7359 1 783 . 1 1 82 82 GLU HB2 H 1 2.358 0.040 . 2 . . . . 82 GLU HB2 . 7359 1 784 . 1 1 82 82 GLU HB3 H 1 2.140 0.040 . 2 . . . . 82 GLU HB3 . 7359 1 785 . 1 1 82 82 GLU HG2 H 1 2.484 0.040 . 2 . . . . 82 GLU HG2 . 7359 1 786 . 1 1 82 82 GLU HG3 H 1 2.352 0.040 . 2 . . . . 82 GLU HG3 . 7359 1 787 . 1 1 82 82 GLU CA C 13 58.888 0.400 . 1 . . . . 82 GLU CA . 7359 1 788 . 1 1 82 82 GLU CB C 13 27.678 0.400 . 1 . . . . 82 GLU CB . 7359 1 789 . 1 1 82 82 GLU CG C 13 34.576 0.400 . 1 . . . . 82 GLU CG . 7359 1 790 . 1 1 82 82 GLU N N 15 125.615 0.400 . 1 . . . . 82 GLU N . 7359 1 791 . 1 1 83 83 ASP H H 1 8.289 0.040 . 1 . . . . 83 ASP H . 7359 1 792 . 1 1 83 83 ASP HA H 1 4.349 0.040 . 1 . . . . 83 ASP HA . 7359 1 793 . 1 1 83 83 ASP HB2 H 1 2.830 0.040 . 1 . . . . 83 ASP HB2 . 7359 1 794 . 1 1 83 83 ASP HB3 H 1 2.830 0.040 . 1 . . . . 83 ASP HB3 . 7359 1 795 . 1 1 83 83 ASP CA C 13 54.476 0.400 . 1 . . . . 83 ASP CA . 7359 1 796 . 1 1 83 83 ASP CB C 13 37.287 0.400 . 1 . . . . 83 ASP CB . 7359 1 797 . 1 1 83 83 ASP N N 15 116.500 0.400 . 1 . . . . 83 ASP N . 7359 1 798 . 1 1 84 84 LYS H H 1 7.515 0.040 . 1 . . . . 84 LYS H . 7359 1 799 . 1 1 84 84 LYS HA H 1 4.535 0.040 . 1 . . . . 84 LYS HA . 7359 1 800 . 1 1 84 84 LYS HB2 H 1 2.091 0.040 . 2 . . . . 84 LYS HB2 . 7359 1 801 . 1 1 84 84 LYS HB3 H 1 1.912 0.040 . 2 . . . . 84 LYS HB3 . 7359 1 802 . 1 1 84 84 LYS HG2 H 1 1.646 0.040 . 2 . . . . 84 LYS HG2 . 7359 1 803 . 1 1 84 84 LYS HG3 H 1 1.487 0.040 . 2 . . . . 84 LYS HG3 . 7359 1 804 . 1 1 84 84 LYS HD2 H 1 1.903 0.040 . 1 . . . . 84 LYS HD2 . 7359 1 805 . 1 1 84 84 LYS HD3 H 1 1.903 0.040 . 1 . . . . 84 LYS HD3 . 7359 1 806 . 1 1 84 84 LYS HE2 H 1 3.267 0.040 . 1 . . . . 84 LYS HE2 . 7359 1 807 . 1 1 84 84 LYS HE3 H 1 3.267 0.040 . 1 . . . . 84 LYS HE3 . 7359 1 808 . 1 1 84 84 LYS CA C 13 54.704 0.400 . 1 . . . . 84 LYS CA . 7359 1 809 . 1 1 84 84 LYS CB C 13 31.554 0.400 . 1 . . . . 84 LYS CB . 7359 1 810 . 1 1 84 84 LYS CG C 13 22.172 0.400 . 1 . . . . 84 LYS CG . 7359 1 811 . 1 1 84 84 LYS CD C 13 26.721 0.400 . 1 . . . . 84 LYS CD . 7359 1 812 . 1 1 84 84 LYS CE C 13 39.697 0.400 . 1 . . . . 84 LYS CE . 7359 1 813 . 1 1 84 84 LYS N N 15 116.733 0.400 . 1 . . . . 84 LYS N . 7359 1 814 . 1 1 85 85 MET H H 1 8.561 0.040 . 1 . . . . 85 MET H . 7359 1 815 . 1 1 85 85 MET HA H 1 4.853 0.040 . 1 . . . . 85 MET HA . 7359 1 816 . 1 1 85 85 MET HB3 H 1 2.361 0.040 . 2 . . . . 85 MET HB3 . 7359 1 817 . 1 1 85 85 MET HG2 H 1 2.565 0.040 . 2 . . . . 85 MET HG2 . 7359 1 818 . 1 1 85 85 MET HG3 H 1 2.340 0.040 . 2 . . . . 85 MET HG3 . 7359 1 819 . 1 1 85 85 MET HE1 H 1 1.079 0.040 . 1 . . . . 85 MET HE . 7359 1 820 . 1 1 85 85 MET HE2 H 1 1.079 0.040 . 1 . . . . 85 MET HE . 7359 1 821 . 1 1 85 85 MET HE3 H 1 1.079 0.040 . 1 . . . . 85 MET HE . 7359 1 822 . 1 1 85 85 MET CA C 13 52.187 0.400 . 1 . . . . 85 MET CA . 7359 1 823 . 1 1 85 85 MET CB C 13 27.470 0.400 . 1 . . . . 85 MET CB . 7359 1 824 . 1 1 85 85 MET CE C 13 10.683 0.400 . 1 . . . . 85 MET CE . 7359 1 825 . 1 1 85 85 MET N N 15 113.260 0.400 . 1 . . . . 85 MET N . 7359 1 826 . 1 1 86 86 VAL H H 1 8.840 0.040 . 1 . . . . 86 VAL H . 7359 1 827 . 1 1 86 86 VAL HA H 1 4.370 0.040 . 1 . . . . 86 VAL HA . 7359 1 828 . 1 1 86 86 VAL HB H 1 2.896 0.040 . 1 . . . . 86 VAL HB . 7359 1 829 . 1 1 86 86 VAL HG11 H 1 1.816 0.040 . 1 . . . . 86 VAL HG1 . 7359 1 830 . 1 1 86 86 VAL HG12 H 1 1.816 0.040 . 1 . . . . 86 VAL HG1 . 7359 1 831 . 1 1 86 86 VAL HG13 H 1 1.816 0.040 . 1 . . . . 86 VAL HG1 . 7359 1 832 . 1 1 86 86 VAL HG21 H 1 1.428 0.040 . 1 . . . . 86 VAL HG2 . 7359 1 833 . 1 1 86 86 VAL HG22 H 1 1.428 0.040 . 1 . . . . 86 VAL HG2 . 7359 1 834 . 1 1 86 86 VAL HG23 H 1 1.428 0.040 . 1 . . . . 86 VAL HG2 . 7359 1 835 . 1 1 86 86 VAL CA C 13 66.078 0.400 . 1 . . . . 86 VAL CA . 7359 1 836 . 1 1 86 86 VAL CB C 13 27.133 0.400 . 1 . . . . 86 VAL CB . 7359 1 837 . 1 1 86 86 VAL CG1 C 13 23.502 0.400 . 1 . . . . 86 VAL CG1 . 7359 1 838 . 1 1 86 86 VAL CG2 C 13 19.256 0.400 . 1 . . . . 86 VAL CG2 . 7359 1 839 . 1 1 86 86 VAL N N 15 122.227 0.400 . 1 . . . . 86 VAL N . 7359 1 840 . 1 1 87 87 PRO HA H 1 4.879 0.040 . 1 . . . . 87 PRO HA . 7359 1 841 . 1 1 87 87 PRO HB2 H 1 2.604 0.040 . 2 . . . . 87 PRO HB2 . 7359 1 842 . 1 1 87 87 PRO HB3 H 1 2.132 0.040 . 2 . . . . 87 PRO HB3 . 7359 1 843 . 1 1 87 87 PRO HG2 H 1 2.384 0.040 . 2 . . . . 87 PRO HG2 . 7359 1 844 . 1 1 87 87 PRO HG3 H 1 2.300 0.040 . 2 . . . . 87 PRO HG3 . 7359 1 845 . 1 1 87 87 PRO HD2 H 1 3.916 0.040 . 1 . . . . 87 PRO HD2 . 7359 1 846 . 1 1 87 87 PRO HD3 H 1 3.916 0.040 . 1 . . . . 87 PRO HD3 . 7359 1 847 . 1 1 87 87 PRO CA C 13 63.109 0.400 . 1 . . . . 87 PRO CA . 7359 1 848 . 1 1 87 87 PRO CB C 13 28.285 0.400 . 1 . . . . 87 PRO CB . 7359 1 849 . 1 1 87 87 PRO CD C 13 47.274 0.400 . 1 . . . . 87 PRO CD . 7359 1 850 . 1 1 88 88 VAL H H 1 6.754 0.040 . 1 . . . . 88 VAL H . 7359 1 851 . 1 1 88 88 VAL HA H 1 3.864 0.040 . 1 . . . . 88 VAL HA . 7359 1 852 . 1 1 88 88 VAL HB H 1 2.169 0.040 . 1 . . . . 88 VAL HB . 7359 1 853 . 1 1 88 88 VAL HG11 H 1 1.236 0.040 . 1 . . . . 88 VAL HG1 . 7359 1 854 . 1 1 88 88 VAL HG12 H 1 1.236 0.040 . 1 . . . . 88 VAL HG1 . 7359 1 855 . 1 1 88 88 VAL HG13 H 1 1.236 0.040 . 1 . . . . 88 VAL HG1 . 7359 1 856 . 1 1 88 88 VAL HG21 H 1 0.865 0.040 . 1 . . . . 88 VAL HG2 . 7359 1 857 . 1 1 88 88 VAL HG22 H 1 0.865 0.040 . 1 . . . . 88 VAL HG2 . 7359 1 858 . 1 1 88 88 VAL HG23 H 1 0.865 0.040 . 1 . . . . 88 VAL HG2 . 7359 1 859 . 1 1 88 88 VAL CA C 13 63.377 0.400 . 1 . . . . 88 VAL CA . 7359 1 860 . 1 1 88 88 VAL CB C 13 29.694 0.400 . 1 . . . . 88 VAL CB . 7359 1 861 . 1 1 88 88 VAL CG1 C 13 20.472 0.400 . 1 . . . . 88 VAL CG1 . 7359 1 862 . 1 1 88 88 VAL CG2 C 13 18.193 0.400 . 1 . . . . 88 VAL CG2 . 7359 1 863 . 1 1 88 88 VAL N N 15 116.924 0.400 . 1 . . . . 88 VAL N . 7359 1 864 . 1 1 89 89 MET H H 1 8.338 0.040 . 1 . . . . 89 MET H . 7359 1 865 . 1 1 89 89 MET HA H 1 4.303 0.040 . 1 . . . . 89 MET HA . 7359 1 866 . 1 1 89 89 MET HB2 H 1 1.319 0.040 . 1 . . . . 89 MET HB2 . 7359 1 867 . 1 1 89 89 MET HB3 H 1 1.319 0.040 . 1 . . . . 89 MET HB3 . 7359 1 868 . 1 1 89 89 MET HG2 H 1 1.603 0.040 . 2 . . . . 89 MET HG2 . 7359 1 869 . 1 1 89 89 MET HG3 H 1 1.351 0.040 . 2 . . . . 89 MET HG3 . 7359 1 870 . 1 1 89 89 MET HE1 H 1 1.605 0.040 . 1 . . . . 89 MET HE . 7359 1 871 . 1 1 89 89 MET HE2 H 1 1.605 0.040 . 1 . . . . 89 MET HE . 7359 1 872 . 1 1 89 89 MET HE3 H 1 1.605 0.040 . 1 . . . . 89 MET HE . 7359 1 873 . 1 1 89 89 MET CA C 13 54.279 0.400 . 1 . . . . 89 MET CA . 7359 1 874 . 1 1 89 89 MET CB C 13 27.574 0.400 . 1 . . . . 89 MET CB . 7359 1 875 . 1 1 89 89 MET CG C 13 29.403 0.400 . 1 . . . . 89 MET CG . 7359 1 876 . 1 1 89 89 MET CE C 13 13.991 0.400 . 1 . . . . 89 MET CE . 7359 1 877 . 1 1 89 89 MET N N 15 121.247 0.400 . 1 . . . . 89 MET N . 7359 1 878 . 1 1 90 90 PHE H H 1 8.402 0.040 . 1 . . . . 90 PHE H . 7359 1 879 . 1 1 90 90 PHE HA H 1 4.761 0.040 . 1 . . . . 90 PHE HA . 7359 1 880 . 1 1 90 90 PHE HB2 H 1 3.896 0.040 . 2 . . . . 90 PHE HB2 . 7359 1 881 . 1 1 90 90 PHE HB3 H 1 3.262 0.040 . 2 . . . . 90 PHE HB3 . 7359 1 882 . 1 1 90 90 PHE CA C 13 61.146 0.400 . 1 . . . . 90 PHE CA . 7359 1 883 . 1 1 90 90 PHE CB C 13 36.344 0.400 . 1 . . . . 90 PHE CB . 7359 1 884 . 1 1 90 90 PHE N N 15 117.036 0.400 . 1 . . . . 90 PHE N . 7359 1 885 . 1 1 91 91 ASN H H 1 8.572 0.040 . 1 . . . . 91 ASN H . 7359 1 886 . 1 1 91 91 ASN HA H 1 4.772 0.040 . 1 . . . . 91 ASN HA . 7359 1 887 . 1 1 91 91 ASN HB2 H 1 3.161 0.040 . 2 . . . . 91 ASN HB2 . 7359 1 888 . 1 1 91 91 ASN HB3 H 1 3.011 0.040 . 2 . . . . 91 ASN HB3 . 7359 1 889 . 1 1 91 91 ASN HD21 H 1 7.932 0.040 . 2 . . . . 91 ASN HD21 . 7359 1 890 . 1 1 91 91 ASN HD22 H 1 7.087 0.040 . 2 . . . . 91 ASN HD22 . 7359 1 891 . 1 1 91 91 ASN CA C 13 54.218 0.400 . 1 . . . . 91 ASN CA . 7359 1 892 . 1 1 91 91 ASN CB C 13 36.896 0.400 . 1 . . . . 91 ASN CB . 7359 1 893 . 1 1 91 91 ASN N N 15 116.975 0.400 . 1 . . . . 91 ASN N . 7359 1 894 . 1 1 91 91 ASN ND2 N 15 113.709 0.400 . 1 . . . . 91 ASN ND2 . 7359 1 895 . 1 1 92 92 ARG H H 1 8.732 0.040 . 1 . . . . 92 ARG H . 7359 1 896 . 1 1 92 92 ARG HA H 1 4.013 0.040 . 1 . . . . 92 ARG HA . 7359 1 897 . 1 1 92 92 ARG HB2 H 1 2.185 0.040 . 2 . . . . 92 ARG HB2 . 7359 1 898 . 1 1 92 92 ARG HB3 H 1 2.113 0.040 . 2 . . . . 92 ARG HB3 . 7359 1 899 . 1 1 92 92 ARG HG2 H 1 1.743 0.040 . 1 . . . . 92 ARG HG2 . 7359 1 900 . 1 1 92 92 ARG HG3 H 1 1.743 0.040 . 1 . . . . 92 ARG HG3 . 7359 1 901 . 1 1 92 92 ARG HD2 H 1 3.324 0.040 . 2 . . . . 92 ARG HD2 . 7359 1 902 . 1 1 92 92 ARG HD3 H 1 3.270 0.040 . 2 . . . . 92 ARG HD3 . 7359 1 903 . 1 1 92 92 ARG CA C 13 55.752 0.400 . 1 . . . . 92 ARG CA . 7359 1 904 . 1 1 92 92 ARG CB C 13 27.157 0.400 . 1 . . . . 92 ARG CB . 7359 1 905 . 1 1 92 92 ARG CD C 13 40.201 0.400 . 1 . . . . 92 ARG CD . 7359 1 906 . 1 1 92 92 ARG N N 15 121.933 0.400 . 1 . . . . 92 ARG N . 7359 1 907 . 1 1 93 93 ILE H H 1 7.459 0.040 . 1 . . . . 93 ILE H . 7359 1 908 . 1 1 93 93 ILE HA H 1 3.393 0.040 . 1 . . . . 93 ILE HA . 7359 1 909 . 1 1 93 93 ILE HB H 1 1.612 0.040 . 1 . . . . 93 ILE HB . 7359 1 910 . 1 1 93 93 ILE HG12 H 1 1.724 0.040 . 2 . . . . 93 ILE HG12 . 7359 1 911 . 1 1 93 93 ILE HG13 H 1 0.718 0.040 . 2 . . . . 93 ILE HG13 . 7359 1 912 . 1 1 93 93 ILE HG21 H 1 0.363 0.040 . 1 . . . . 93 ILE HG2 . 7359 1 913 . 1 1 93 93 ILE HG22 H 1 0.363 0.040 . 1 . . . . 93 ILE HG2 . 7359 1 914 . 1 1 93 93 ILE HG23 H 1 0.363 0.040 . 1 . . . . 93 ILE HG2 . 7359 1 915 . 1 1 93 93 ILE HD11 H 1 0.439 0.040 . 1 . . . . 93 ILE HD1 . 7359 1 916 . 1 1 93 93 ILE HD12 H 1 0.439 0.040 . 1 . . . . 93 ILE HD1 . 7359 1 917 . 1 1 93 93 ILE HD13 H 1 0.439 0.040 . 1 . . . . 93 ILE HD1 . 7359 1 918 . 1 1 93 93 ILE CA C 13 62.670 0.400 . 1 . . . . 93 ILE CA . 7359 1 919 . 1 1 93 93 ILE CB C 13 37.568 0.400 . 1 . . . . 93 ILE CB . 7359 1 920 . 1 1 93 93 ILE CG1 C 13 26.717 0.400 . 1 . . . . 93 ILE CG1 . 7359 1 921 . 1 1 93 93 ILE CG2 C 13 14.159 0.400 . 1 . . . . 93 ILE CG2 . 7359 1 922 . 1 1 93 93 ILE CD1 C 13 11.463 0.400 . 1 . . . . 93 ILE CD1 . 7359 1 923 . 1 1 93 93 ILE N N 15 114.698 0.400 . 1 . . . . 93 ILE N . 7359 1 924 . 1 1 94 94 HIS H H 1 8.451 0.040 . 1 . . . . 94 HIS H . 7359 1 925 . 1 1 94 94 HIS HB2 H 1 3.339 0.040 . 2 . . . . 94 HIS HB2 . 7359 1 926 . 1 1 94 94 HIS HB3 H 1 3.225 0.040 . 2 . . . . 94 HIS HB3 . 7359 1 927 . 1 1 94 94 HIS CA C 13 56.493 0.400 . 1 . . . . 94 HIS CA . 7359 1 928 . 1 1 94 94 HIS CB C 13 29.970 0.400 . 1 . . . . 94 HIS CB . 7359 1 929 . 1 1 94 94 HIS N N 15 115.344 0.400 . 1 . . . . 94 HIS N . 7359 1 930 . 1 1 95 95 THR H H 1 8.182 0.040 . 1 . . . . 95 THR H . 7359 1 931 . 1 1 95 95 THR HA H 1 4.620 0.040 . 1 . . . . 95 THR HA . 7359 1 932 . 1 1 95 95 THR HB H 1 4.579 0.040 . 1 . . . . 95 THR HB . 7359 1 933 . 1 1 95 95 THR HG21 H 1 1.405 0.040 . 1 . . . . 95 THR HG2 . 7359 1 934 . 1 1 95 95 THR HG22 H 1 1.405 0.040 . 1 . . . . 95 THR HG2 . 7359 1 935 . 1 1 95 95 THR HG23 H 1 1.405 0.040 . 1 . . . . 95 THR HG2 . 7359 1 936 . 1 1 95 95 THR CA C 13 62.582 0.400 . 1 . . . . 95 THR CA . 7359 1 937 . 1 1 95 95 THR CB C 13 65.779 0.400 . 1 . . . . 95 THR CB . 7359 1 938 . 1 1 95 95 THR CG2 C 13 20.013 0.400 . 1 . . . . 95 THR CG2 . 7359 1 939 . 1 1 95 95 THR N N 15 117.197 0.400 . 1 . . . . 95 THR N . 7359 1 940 . 1 1 96 96 LEU H H 1 8.378 0.040 . 1 . . . . 96 LEU H . 7359 1 941 . 1 1 96 96 LEU HA H 1 4.359 0.040 . 1 . . . . 96 LEU HA . 7359 1 942 . 1 1 96 96 LEU HB2 H 1 2.177 0.040 . 2 . . . . 96 LEU HB2 . 7359 1 943 . 1 1 96 96 LEU HB3 H 1 1.645 0.040 . 2 . . . . 96 LEU HB3 . 7359 1 944 . 1 1 96 96 LEU HG H 1 1.752 0.040 . 1 . . . . 96 LEU HG . 7359 1 945 . 1 1 96 96 LEU HD11 H 1 1.056 0.040 . 1 . . . . 96 LEU HD1 . 7359 1 946 . 1 1 96 96 LEU HD12 H 1 1.056 0.040 . 1 . . . . 96 LEU HD1 . 7359 1 947 . 1 1 96 96 LEU HD13 H 1 1.056 0.040 . 1 . . . . 96 LEU HD1 . 7359 1 948 . 1 1 96 96 LEU HD21 H 1 1.019 0.040 . 1 . . . . 96 LEU HD2 . 7359 1 949 . 1 1 96 96 LEU HD22 H 1 1.019 0.040 . 1 . . . . 96 LEU HD2 . 7359 1 950 . 1 1 96 96 LEU HD23 H 1 1.019 0.040 . 1 . . . . 96 LEU HD2 . 7359 1 951 . 1 1 96 96 LEU CA C 13 53.145 0.400 . 1 . . . . 96 LEU CA . 7359 1 952 . 1 1 96 96 LEU CB C 13 38.599 0.400 . 1 . . . . 96 LEU CB . 7359 1 953 . 1 1 96 96 LEU CG C 13 24.385 0.400 . 1 . . . . 96 LEU CG . 7359 1 954 . 1 1 96 96 LEU CD1 C 13 22.656 0.400 . 1 . . . . 96 LEU CD1 . 7359 1 955 . 1 1 96 96 LEU CD2 C 13 20.171 0.400 . 1 . . . . 96 LEU CD2 . 7359 1 956 . 1 1 96 96 LEU N N 15 118.270 0.400 . 1 . . . . 96 LEU N . 7359 1 957 . 1 1 97 97 ARG H H 1 6.647 0.040 . 1 . . . . 97 ARG H . 7359 1 958 . 1 1 97 97 ARG HA H 1 4.170 0.040 . 1 . . . . 97 ARG HA . 7359 1 959 . 1 1 97 97 ARG HB2 H 1 2.188 0.040 . 2 . . . . 97 ARG HB2 . 7359 1 960 . 1 1 97 97 ARG HB3 H 1 2.114 0.040 . 2 . . . . 97 ARG HB3 . 7359 1 961 . 1 1 97 97 ARG HG2 H 1 1.633 0.040 . 1 . . . . 97 ARG HG2 . 7359 1 962 . 1 1 97 97 ARG HG3 H 1 1.633 0.040 . 1 . . . . 97 ARG HG3 . 7359 1 963 . 1 1 97 97 ARG HD2 H 1 3.395 0.040 . 1 . . . . 97 ARG HD2 . 7359 1 964 . 1 1 97 97 ARG HD3 H 1 3.395 0.040 . 1 . . . . 97 ARG HD3 . 7359 1 965 . 1 1 97 97 ARG CA C 13 53.598 0.400 . 1 . . . . 97 ARG CA . 7359 1 966 . 1 1 97 97 ARG CB C 13 24.040 0.400 . 1 . . . . 97 ARG CB . 7359 1 967 . 1 1 97 97 ARG CG C 13 24.854 0.400 . 1 . . . . 97 ARG CG . 7359 1 968 . 1 1 97 97 ARG CD C 13 41.129 0.400 . 1 . . . . 97 ARG CD . 7359 1 969 . 1 1 97 97 ARG N N 15 109.763 0.400 . 1 . . . . 97 ARG N . 7359 1 970 . 1 1 98 98 LYS H H 1 8.233 0.040 . 1 . . . . 98 LYS H . 7359 1 971 . 1 1 98 98 LYS HA H 1 4.969 0.040 . 1 . . . . 98 LYS HA . 7359 1 972 . 1 1 98 98 LYS HB2 H 1 1.969 0.040 . 2 . . . . 98 LYS HB2 . 7359 1 973 . 1 1 98 98 LYS HB3 H 1 1.425 0.040 . 2 . . . . 98 LYS HB3 . 7359 1 974 . 1 1 98 98 LYS HG2 H 1 1.550 0.040 . 1 . . . . 98 LYS HG2 . 7359 1 975 . 1 1 98 98 LYS HG3 H 1 1.550 0.040 . 1 . . . . 98 LYS HG3 . 7359 1 976 . 1 1 98 98 LYS HD2 H 1 1.764 0.040 . 1 . . . . 98 LYS HD2 . 7359 1 977 . 1 1 98 98 LYS HD3 H 1 1.764 0.040 . 1 . . . . 98 LYS HD3 . 7359 1 978 . 1 1 98 98 LYS HE2 H 1 3.122 0.040 . 1 . . . . 98 LYS HE2 . 7359 1 979 . 1 1 98 98 LYS HE3 H 1 3.122 0.040 . 1 . . . . 98 LYS HE3 . 7359 1 980 . 1 1 98 98 LYS CA C 13 50.525 0.400 . 1 . . . . 98 LYS CA . 7359 1 981 . 1 1 98 98 LYS CB C 13 31.195 0.400 . 1 . . . . 98 LYS CB . 7359 1 982 . 1 1 98 98 LYS CD C 13 26.808 0.400 . 1 . . . . 98 LYS CD . 7359 1 983 . 1 1 98 98 LYS N N 15 117.491 0.400 . 1 . . . . 98 LYS N . 7359 1 984 . 1 1 99 99 PRO HA H 1 4.357 0.040 . 1 . . . . 99 PRO HA . 7359 1 985 . 1 1 99 99 PRO HB2 H 1 2.493 0.040 . 2 . . . . 99 PRO HB2 . 7359 1 986 . 1 1 99 99 PRO HB3 H 1 2.299 0.040 . 2 . . . . 99 PRO HB3 . 7359 1 987 . 1 1 99 99 PRO HG2 H 1 2.232 0.040 . 1 . . . . 99 PRO HG2 . 7359 1 988 . 1 1 99 99 PRO HG3 H 1 2.232 0.040 . 1 . . . . 99 PRO HG3 . 7359 1 989 . 1 1 99 99 PRO HD2 H 1 3.809 0.040 . 2 . . . . 99 PRO HD2 . 7359 1 990 . 1 1 99 99 PRO HD3 H 1 3.518 0.040 . 2 . . . . 99 PRO HD3 . 7359 1 991 . 1 1 99 99 PRO CA C 13 58.787 0.400 . 1 . . . . 99 PRO CA . 7359 1 992 . 1 1 99 99 PRO CB C 13 27.852 0.400 . 1 . . . . 99 PRO CB . 7359 1 993 . 1 1 99 99 PRO CG C 13 24.854 0.400 . 1 . . . . 99 PRO CG . 7359 1 994 . 1 1 99 99 PRO CD C 13 47.473 0.400 . 1 . . . . 99 PRO CD . 7359 1 995 . 1 1 100 100 PRO HA H 1 4.722 0.040 . 1 . . . . 100 PRO HA . 7359 1 996 . 1 1 100 100 PRO HB2 H 1 2.127 0.040 . 2 . . . . 100 PRO HB2 . 7359 1 997 . 1 1 100 100 PRO HB3 H 1 1.982 0.040 . 2 . . . . 100 PRO HB3 . 7359 1 998 . 1 1 100 100 PRO HG2 H 1 2.277 0.040 . 2 . . . . 100 PRO HG2 . 7359 1 999 . 1 1 100 100 PRO HG3 H 1 1.944 0.040 . 2 . . . . 100 PRO HG3 . 7359 1 1000 . 1 1 100 100 PRO HD2 H 1 3.630 0.040 . 2 . . . . 100 PRO HD2 . 7359 1 1001 . 1 1 100 100 PRO HD3 H 1 3.424 0.040 . 2 . . . . 100 PRO HD3 . 7359 1 1002 . 1 1 100 100 PRO CA C 13 59.248 0.400 . 1 . . . . 100 PRO CA . 7359 1 1003 . 1 1 100 100 PRO CB C 13 28.135 0.400 . 1 . . . . 100 PRO CB . 7359 1 1004 . 1 1 100 100 PRO CG C 13 25.444 0.400 . 1 . . . . 100 PRO CG . 7359 1 1005 . 1 1 100 100 PRO CD C 13 46.297 0.400 . 1 . . . . 100 PRO CD . 7359 1 1006 . 1 1 101 101 LYS H H 1 9.356 0.040 . 1 . . . . 101 LYS H . 7359 1 1007 . 1 1 101 101 LYS HA H 1 4.341 0.040 . 1 . . . . 101 LYS HA . 7359 1 1008 . 1 1 101 101 LYS HB2 H 1 1.978 0.040 . 1 . . . . 101 LYS HB2 . 7359 1 1009 . 1 1 101 101 LYS HB3 H 1 1.978 0.040 . 1 . . . . 101 LYS HB3 . 7359 1 1010 . 1 1 101 101 LYS HG2 H 1 1.674 0.040 . 2 . . . . 101 LYS HG2 . 7359 1 1011 . 1 1 101 101 LYS HG3 H 1 1.604 0.040 . 2 . . . . 101 LYS HG3 . 7359 1 1012 . 1 1 101 101 LYS HD2 H 1 1.873 0.040 . 1 . . . . 101 LYS HD2 . 7359 1 1013 . 1 1 101 101 LYS HD3 H 1 1.873 0.040 . 1 . . . . 101 LYS HD3 . 7359 1 1014 . 1 1 101 101 LYS HE2 H 1 3.215 0.040 . 1 . . . . 101 LYS HE2 . 7359 1 1015 . 1 1 101 101 LYS HE3 H 1 3.215 0.040 . 1 . . . . 101 LYS HE3 . 7359 1 1016 . 1 1 101 101 LYS CA C 13 54.882 0.400 . 1 . . . . 101 LYS CA . 7359 1 1017 . 1 1 101 101 LYS CB C 13 30.712 0.400 . 1 . . . . 101 LYS CB . 7359 1 1018 . 1 1 101 101 LYS CG C 13 22.094 0.400 . 1 . . . . 101 LYS CG . 7359 1 1019 . 1 1 101 101 LYS CD C 13 26.423 0.400 . 1 . . . . 101 LYS CD . 7359 1 1020 . 1 1 101 101 LYS CE C 13 39.764 0.400 . 1 . . . . 101 LYS CE . 7359 1 1021 . 1 1 101 101 LYS N N 15 123.402 0.400 . 1 . . . . 101 LYS N . 7359 1 1022 . 1 1 102 102 ASP H H 1 7.608 0.040 . 1 . . . . 102 ASP H . 7359 1 1023 . 1 1 102 102 ASP HA H 1 5.143 0.040 . 1 . . . . 102 ASP HA . 7359 1 1024 . 1 1 102 102 ASP HB2 H 1 3.317 0.040 . 2 . . . . 102 ASP HB2 . 7359 1 1025 . 1 1 102 102 ASP HB3 H 1 3.135 0.040 . 2 . . . . 102 ASP HB3 . 7359 1 1026 . 1 1 102 102 ASP CA C 13 50.229 0.400 . 1 . . . . 102 ASP CA . 7359 1 1027 . 1 1 102 102 ASP CB C 13 39.686 0.400 . 1 . . . . 102 ASP CB . 7359 1 1028 . 1 1 102 102 ASP N N 15 113.742 0.400 . 1 . . . . 102 ASP N . 7359 1 1029 . 1 1 103 103 GLU H H 1 9.015 0.040 . 1 . . . . 103 GLU H . 7359 1 1030 . 1 1 103 103 GLU HA H 1 4.052 0.040 . 1 . . . . 103 GLU HA . 7359 1 1031 . 1 1 103 103 GLU HB2 H 1 2.320 0.040 . 2 . . . . 103 GLU HB2 . 7359 1 1032 . 1 1 103 103 GLU HB3 H 1 2.269 0.040 . 2 . . . . 103 GLU HB3 . 7359 1 1033 . 1 1 103 103 GLU HG2 H 1 2.664 0.040 . 2 . . . . 103 GLU HG2 . 7359 1 1034 . 1 1 103 103 GLU HG3 H 1 2.431 0.040 . 2 . . . . 103 GLU HG3 . 7359 1 1035 . 1 1 103 103 GLU CA C 13 57.973 0.400 . 1 . . . . 103 GLU CA . 7359 1 1036 . 1 1 103 103 GLU CB C 13 27.613 0.400 . 1 . . . . 103 GLU CB . 7359 1 1037 . 1 1 103 103 GLU CG C 13 36.428 0.400 . 1 . . . . 103 GLU CG . 7359 1 1038 . 1 1 103 103 GLU N N 15 117.262 0.400 . 1 . . . . 103 GLU N . 7359 1 1039 . 1 1 104 104 GLN H H 1 8.380 0.040 . 1 . . . . 104 GLN H . 7359 1 1040 . 1 1 104 104 GLN HA H 1 4.234 0.040 . 1 . . . . 104 GLN HA . 7359 1 1041 . 1 1 104 104 GLN HB2 H 1 2.357 0.040 . 2 . . . . 104 GLN HB2 . 7359 1 1042 . 1 1 104 104 GLN HB3 H 1 2.308 0.040 . 2 . . . . 104 GLN HB3 . 7359 1 1043 . 1 1 104 104 GLN HG2 H 1 2.580 0.040 . 1 . . . . 104 GLN HG2 . 7359 1 1044 . 1 1 104 104 GLN HG3 H 1 2.580 0.040 . 1 . . . . 104 GLN HG3 . 7359 1 1045 . 1 1 104 104 GLN CA C 13 56.815 0.400 . 1 . . . . 104 GLN CA . 7359 1 1046 . 1 1 104 104 GLN CB C 13 25.161 0.400 . 1 . . . . 104 GLN CB . 7359 1 1047 . 1 1 104 104 GLN CG C 13 31.654 0.400 . 1 . . . . 104 GLN CG . 7359 1 1048 . 1 1 104 104 GLN N N 15 122.714 0.400 . 1 . . . . 104 GLN N . 7359 1 1049 . 1 1 105 105 GLU H H 1 8.898 0.040 . 1 . . . . 105 GLU H . 7359 1 1050 . 1 1 105 105 GLU HA H 1 4.159 0.040 . 1 . . . . 105 GLU HA . 7359 1 1051 . 1 1 105 105 GLU HB2 H 1 1.96 0.040 . 2 . . . . 105 GLU HB2 . 7359 1 1052 . 1 1 105 105 GLU HB3 H 1 2.130 0.040 . 2 . . . . 105 GLU HB3 . 7359 1 1053 . 1 1 105 105 GLU HG2 H 1 2.812 0.040 . 2 . . . . 105 GLU HG2 . 7359 1 1054 . 1 1 105 105 GLU HG3 H 1 2.348 0.040 . 2 . . . . 105 GLU HG3 . 7359 1 1055 . 1 1 105 105 GLU CA C 13 56.953 0.400 . 1 . . . . 105 GLU CA . 7359 1 1056 . 1 1 105 105 GLU CB C 13 27.745 0.400 . 1 . . . . 105 GLU CB . 7359 1 1057 . 1 1 105 105 GLU CG C 13 34.586 0.400 . 1 . . . . 105 GLU CG . 7359 1 1058 . 1 1 105 105 GLU N N 15 122.618 0.400 . 1 . . . . 105 GLU N . 7359 1 1059 . 1 1 106 106 LEU H H 1 7.833 0.040 . 1 . . . . 106 LEU H . 7359 1 1060 . 1 1 106 106 LEU HA H 1 4.024 0.040 . 1 . . . . 106 LEU HA . 7359 1 1061 . 1 1 106 106 LEU HB2 H 1 2.194 0.040 . 2 . . . . 106 LEU HB2 . 7359 1 1062 . 1 1 106 106 LEU HB3 H 1 1.525 0.040 . 2 . . . . 106 LEU HB3 . 7359 1 1063 . 1 1 106 106 LEU HG H 1 1.733 0.040 . 1 . . . . 106 LEU HG . 7359 1 1064 . 1 1 106 106 LEU HD11 H 1 1.202 0.040 . 1 . . . . 106 LEU HD1 . 7359 1 1065 . 1 1 106 106 LEU HD12 H 1 1.202 0.040 . 1 . . . . 106 LEU HD1 . 7359 1 1066 . 1 1 106 106 LEU HD13 H 1 1.202 0.040 . 1 . . . . 106 LEU HD1 . 7359 1 1067 . 1 1 106 106 LEU HD21 H 1 1.147 0.040 . 1 . . . . 106 LEU HD2 . 7359 1 1068 . 1 1 106 106 LEU HD22 H 1 1.147 0.040 . 1 . . . . 106 LEU HD2 . 7359 1 1069 . 1 1 106 106 LEU HD23 H 1 1.147 0.040 . 1 . . . . 106 LEU HD2 . 7359 1 1070 . 1 1 106 106 LEU CA C 13 55.668 0.400 . 1 . . . . 106 LEU CA . 7359 1 1071 . 1 1 106 106 LEU CB C 13 40.738 0.400 . 1 . . . . 106 LEU CB . 7359 1 1072 . 1 1 106 106 LEU CG C 13 24.688 0.400 . 1 . . . . 106 LEU CG . 7359 1 1073 . 1 1 106 106 LEU CD1 C 13 24.230 0.400 . 1 . . . . 106 LEU CD1 . 7359 1 1074 . 1 1 106 106 LEU CD2 C 13 22.511 0.400 . 1 . . . . 106 LEU CD2 . 7359 1 1075 . 1 1 106 106 LEU N N 15 119.771 0.400 . 1 . . . . 106 LEU N . 7359 1 1076 . 1 1 107 107 ARG H H 1 7.681 0.040 . 1 . . . . 107 ARG H . 7359 1 1077 . 1 1 107 107 ARG HA H 1 3.163 0.040 . 1 . . . . 107 ARG HA . 7359 1 1078 . 1 1 107 107 ARG HB2 H 1 1.898 0.040 . 2 . . . . 107 ARG HB2 . 7359 1 1079 . 1 1 107 107 ARG HB3 H 1 1.585 0.040 . 2 . . . . 107 ARG HB3 . 7359 1 1080 . 1 1 107 107 ARG HG2 H 1 1.188 0.040 . 2 . . . . 107 ARG HG2 . 7359 1 1081 . 1 1 107 107 ARG HG3 H 1 0.786 0.040 . 2 . . . . 107 ARG HG3 . 7359 1 1082 . 1 1 107 107 ARG CA C 13 55.691 0.400 . 1 . . . . 107 ARG CA . 7359 1 1083 . 1 1 107 107 ARG CB C 13 27.482 0.400 . 1 . . . . 107 ARG CB . 7359 1 1084 . 1 1 107 107 ARG CG C 13 24.416 0.400 . 1 . . . . 107 ARG CG . 7359 1 1085 . 1 1 107 107 ARG N N 15 119.004 0.400 . 1 . . . . 107 ARG N . 7359 1 1086 . 1 1 108 108 GLN H H 1 7.916 0.040 . 1 . . . . 108 GLN H . 7359 1 1087 . 1 1 108 108 GLN HA H 1 3.690 0.040 . 1 . . . . 108 GLN HA . 7359 1 1088 . 1 1 108 108 GLN HB2 H 1 2.352 0.040 . 1 . . . . 108 GLN HB2 . 7359 1 1089 . 1 1 108 108 GLN HB3 H 1 2.352 0.040 . 1 . . . . 108 GLN HB3 . 7359 1 1090 . 1 1 108 108 GLN HG2 H 1 2.670 0.040 . 2 . . . . 108 GLN HG2 . 7359 1 1091 . 1 1 108 108 GLN HG3 H 1 2.539 0.040 . 2 . . . . 108 GLN HG3 . 7359 1 1092 . 1 1 108 108 GLN HE21 H 1 8.110 0.040 . 2 . . . . 108 GLN HE21 . 7359 1 1093 . 1 1 108 108 GLN HE22 H 1 6.896 0.040 . 2 . . . . 108 GLN HE22 . 7359 1 1094 . 1 1 108 108 GLN CA C 13 55.639 0.400 . 1 . . . . 108 GLN CA . 7359 1 1095 . 1 1 108 108 GLN CB C 13 25.658 0.400 . 1 . . . . 108 GLN CB . 7359 1 1096 . 1 1 108 108 GLN CG C 13 30.732 0.400 . 1 . . . . 108 GLN CG . 7359 1 1097 . 1 1 108 108 GLN N N 15 119.367 0.400 . 1 . . . . 108 GLN N . 7359 1 1098 . 1 1 108 108 GLN NE2 N 15 116.214 0.400 . 1 . . . . 108 GLN NE2 . 7359 1 1099 . 1 1 109 109 ILE H H 1 7.653 0.040 . 1 . . . . 109 ILE H . 7359 1 1100 . 1 1 109 109 ILE HA H 1 3.730 0.040 . 1 . . . . 109 ILE HA . 7359 1 1101 . 1 1 109 109 ILE HB H 1 2.155 0.040 . 1 . . . . 109 ILE HB . 7359 1 1102 . 1 1 109 109 ILE HG12 H 1 2.214 0.040 . 2 . . . . 109 ILE HG12 . 7359 1 1103 . 1 1 109 109 ILE HG13 H 1 0.980 0.040 . 2 . . . . 109 ILE HG13 . 7359 1 1104 . 1 1 109 109 ILE HG21 H 1 0.716 0.040 . 1 . . . . 109 ILE HG2 . 7359 1 1105 . 1 1 109 109 ILE HG22 H 1 0.716 0.040 . 1 . . . . 109 ILE HG2 . 7359 1 1106 . 1 1 109 109 ILE HG23 H 1 0.716 0.040 . 1 . . . . 109 ILE HG2 . 7359 1 1107 . 1 1 109 109 ILE HD11 H 1 0.949 0.040 . 1 . . . . 109 ILE HD1 . 7359 1 1108 . 1 1 109 109 ILE HD12 H 1 0.949 0.040 . 1 . . . . 109 ILE HD1 . 7359 1 1109 . 1 1 109 109 ILE HD13 H 1 0.949 0.040 . 1 . . . . 109 ILE HD1 . 7359 1 1110 . 1 1 109 109 ILE CA C 13 62.864 0.400 . 1 . . . . 109 ILE CA . 7359 1 1111 . 1 1 109 109 ILE CB C 13 35.249 0.400 . 1 . . . . 109 ILE CB . 7359 1 1112 . 1 1 109 109 ILE CG1 C 13 26.430 0.400 . 1 . . . . 109 ILE CG1 . 7359 1 1113 . 1 1 109 109 ILE CG2 C 13 13.800 0.400 . 1 . . . . 109 ILE CG2 . 7359 1 1114 . 1 1 109 109 ILE CD1 C 13 12.411 0.400 . 1 . . . . 109 ILE CD1 . 7359 1 1115 . 1 1 109 109 ILE N N 15 118.053 0.400 . 1 . . . . 109 ILE N . 7359 1 1116 . 1 1 110 110 PHE H H 1 7.242 0.040 . 1 . . . . 110 PHE H . 7359 1 1117 . 1 1 110 110 PHE HA H 1 4.122 0.040 . 1 . . . . 110 PHE HA . 7359 1 1118 . 1 1 110 110 PHE HB2 H 1 3.115 0.040 . 2 . . . . 110 PHE HB2 . 7359 1 1119 . 1 1 110 110 PHE HB3 H 1 2.503 0.040 . 2 . . . . 110 PHE HB3 . 7359 1 1120 . 1 1 110 110 PHE HD1 H 1 7.585 0.040 . 1 . . . . 110 PHE HD1 . 7359 1 1121 . 1 1 110 110 PHE HD2 H 1 7.585 0.040 . 1 . . . . 110 PHE HD2 . 7359 1 1122 . 1 1 110 110 PHE CA C 13 58.229 0.400 . 1 . . . . 110 PHE CA . 7359 1 1123 . 1 1 110 110 PHE CB C 13 35.741 0.400 . 1 . . . . 110 PHE CB . 7359 1 1124 . 1 1 110 110 PHE N N 15 115.423 0.400 . 1 . . . . 110 PHE N . 7359 1 1125 . 1 1 111 111 LEU H H 1 7.908 0.040 . 1 . . . . 111 LEU H . 7359 1 1126 . 1 1 111 111 LEU HA H 1 4.452 0.040 . 1 . . . . 111 LEU HA . 7359 1 1127 . 1 1 111 111 LEU HB2 H 1 1.821 0.040 . 1 . . . . 111 LEU HB2 . 7359 1 1128 . 1 1 111 111 LEU HB3 H 1 1.821 0.040 . 1 . . . . 111 LEU HB3 . 7359 1 1129 . 1 1 111 111 LEU HG H 1 1.871 0.040 . 1 . . . . 111 LEU HG . 7359 1 1130 . 1 1 111 111 LEU HD11 H 1 0.855 0.040 . 1 . . . . 111 LEU HD1 . 7359 1 1131 . 1 1 111 111 LEU HD12 H 1 0.855 0.040 . 1 . . . . 111 LEU HD1 . 7359 1 1132 . 1 1 111 111 LEU HD13 H 1 0.855 0.040 . 1 . . . . 111 LEU HD1 . 7359 1 1133 . 1 1 111 111 LEU HD21 H 1 0.825 0.040 . 1 . . . . 111 LEU HD2 . 7359 1 1134 . 1 1 111 111 LEU HD22 H 1 0.825 0.040 . 1 . . . . 111 LEU HD2 . 7359 1 1135 . 1 1 111 111 LEU HD23 H 1 0.825 0.040 . 1 . . . . 111 LEU HD2 . 7359 1 1136 . 1 1 111 111 LEU CA C 13 55.463 0.400 . 1 . . . . 111 LEU CA . 7359 1 1137 . 1 1 111 111 LEU CB C 13 37.279 0.400 . 1 . . . . 111 LEU CB . 7359 1 1138 . 1 1 111 111 LEU CG C 13 24.941 0.400 . 1 . . . . 111 LEU CG . 7359 1 1139 . 1 1 111 111 LEU CD1 C 13 21.698 0.400 . 1 . . . . 111 LEU CD1 . 7359 1 1140 . 1 1 111 111 LEU CD2 C 13 20.488 0.400 . 1 . . . . 111 LEU CD2 . 7359 1 1141 . 1 1 111 111 LEU N N 15 121.325 0.400 . 1 . . . . 111 LEU N . 7359 1 1142 . 1 1 112 112 ASP H H 1 9.090 0.040 . 1 . . . . 112 ASP H . 7359 1 1143 . 1 1 112 112 ASP HA H 1 4.581 0.040 . 1 . . . . 112 ASP HA . 7359 1 1144 . 1 1 112 112 ASP HB2 H 1 2.977 0.040 . 2 . . . . 112 ASP HB2 . 7359 1 1145 . 1 1 112 112 ASP HB3 H 1 2.851 0.040 . 2 . . . . 112 ASP HB3 . 7359 1 1146 . 1 1 112 112 ASP CA C 13 54.180 0.400 . 1 . . . . 112 ASP CA . 7359 1 1147 . 1 1 112 112 ASP CB C 13 37.532 0.400 . 1 . . . . 112 ASP CB . 7359 1 1148 . 1 1 112 112 ASP N N 15 121.233 0.400 . 1 . . . . 112 ASP N . 7359 1 1149 . 1 1 113 113 GLU H H 1 7.339 0.040 . 1 . . . . 113 GLU H . 7359 1 1150 . 1 1 113 113 GLU HA H 1 4.572 0.040 . 1 . . . . 113 GLU HA . 7359 1 1151 . 1 1 113 113 GLU HB2 H 1 2.391 0.040 . 2 . . . . 113 GLU HB2 . 7359 1 1152 . 1 1 113 113 GLU HB3 H 1 2.045 0.040 . 2 . . . . 113 GLU HB3 . 7359 1 1153 . 1 1 113 113 GLU HG2 H 1 2.579 0.040 . 2 . . . . 113 GLU HG2 . 7359 1 1154 . 1 1 113 113 GLU HG3 H 1 2.276 0.040 . 2 . . . . 113 GLU HG3 . 7359 1 1155 . 1 1 113 113 GLU CA C 13 52.334 0.400 . 1 . . . . 113 GLU CA . 7359 1 1156 . 1 1 113 113 GLU CB C 13 26.837 0.400 . 1 . . . . 113 GLU CB . 7359 1 1157 . 1 1 113 113 GLU CG C 13 33.412 0.400 . 1 . . . . 113 GLU CG . 7359 1 1158 . 1 1 113 113 GLU N N 15 117.110 0.400 . 1 . . . . 113 GLU N . 7359 1 1159 . 1 1 114 114 GLY H H 1 8.052 0.040 . 1 . . . . 114 GLY H . 7359 1 1160 . 1 1 114 114 GLY HA2 H 1 4.417 0.040 . 2 . . . . 114 GLY HA2 . 7359 1 1161 . 1 1 114 114 GLY HA3 H 1 3.899 0.040 . 2 . . . . 114 GLY HA3 . 7359 1 1162 . 1 1 114 114 GLY CA C 13 43.080 0.400 . 1 . . . . 114 GLY CA . 7359 1 1163 . 1 1 114 114 GLY N N 15 106.526 0.400 . 1 . . . . 114 GLY N . 7359 1 1164 . 1 1 115 115 ILE H H 1 7.496 0.040 . 1 . . . . 115 ILE H . 7359 1 1165 . 1 1 115 115 ILE HA H 1 4.237 0.040 . 1 . . . . 115 ILE HA . 7359 1 1166 . 1 1 115 115 ILE HB H 1 1.923 0.040 . 1 . . . . 115 ILE HB . 7359 1 1167 . 1 1 115 115 ILE HG12 H 1 1.783 0.040 . 1 . . . . 115 ILE HG12 . 7359 1 1168 . 1 1 115 115 ILE HG13 H 1 1.783 0.040 . 1 . . . . 115 ILE HG13 . 7359 1 1169 . 1 1 115 115 ILE HG21 H 1 1.266 0.040 . 1 . . . . 115 ILE HG2 . 7359 1 1170 . 1 1 115 115 ILE HG22 H 1 1.266 0.040 . 1 . . . . 115 ILE HG2 . 7359 1 1171 . 1 1 115 115 ILE HG23 H 1 1.266 0.040 . 1 . . . . 115 ILE HG2 . 7359 1 1172 . 1 1 115 115 ILE HD11 H 1 1.208 0.040 . 1 . . . . 115 ILE HD1 . 7359 1 1173 . 1 1 115 115 ILE HD12 H 1 1.208 0.040 . 1 . . . . 115 ILE HD1 . 7359 1 1174 . 1 1 115 115 ILE HD13 H 1 1.208 0.040 . 1 . . . . 115 ILE HD1 . 7359 1 1175 . 1 1 115 115 ILE CA C 13 57.811 0.400 . 1 . . . . 115 ILE CA . 7359 1 1176 . 1 1 115 115 ILE CB C 13 34.444 0.400 . 1 . . . . 115 ILE CB . 7359 1 1177 . 1 1 115 115 ILE CG1 C 13 27.833 0.400 . 1 . . . . 115 ILE CG1 . 7359 1 1178 . 1 1 115 115 ILE CG2 C 13 16.648 0.400 . 1 . . . . 115 ILE CG2 . 7359 1 1179 . 1 1 115 115 ILE CD1 C 13 10.670 0.400 . 1 . . . . 115 ILE CD1 . 7359 1 1180 . 1 1 115 115 ILE N N 15 122.791 0.400 . 1 . . . . 115 ILE N . 7359 1 1181 . 1 1 116 116 ASP H H 1 8.506 0.040 . 1 . . . . 116 ASP H . 7359 1 1182 . 1 1 116 116 ASP HA H 1 4.556 0.040 . 1 . . . . 116 ASP HA . 7359 1 1183 . 1 1 116 116 ASP HB2 H 1 2.936 0.040 . 2 . . . . 116 ASP HB2 . 7359 1 1184 . 1 1 116 116 ASP HB3 H 1 2.818 0.040 . 2 . . . . 116 ASP HB3 . 7359 1 1185 . 1 1 116 116 ASP CA C 13 52.402 0.400 . 1 . . . . 116 ASP CA . 7359 1 1186 . 1 1 116 116 ASP CB C 13 40.630 0.400 . 1 . . . . 116 ASP CB . 7359 1 1187 . 1 1 116 116 ASP N N 15 127.809 0.400 . 1 . . . . 116 ASP N . 7359 1 1188 . 1 1 117 117 ALA H H 1 8.776 0.040 . 1 . . . . 117 ALA H . 7359 1 1189 . 1 1 117 117 ALA HA H 1 4.002 0.040 . 1 . . . . 117 ALA HA . 7359 1 1190 . 1 1 117 117 ALA HB1 H 1 1.604 0.040 . 1 . . . . 117 ALA HB . 7359 1 1191 . 1 1 117 117 ALA HB2 H 1 1.604 0.040 . 1 . . . . 117 ALA HB . 7359 1 1192 . 1 1 117 117 ALA HB3 H 1 1.604 0.040 . 1 . . . . 117 ALA HB . 7359 1 1193 . 1 1 117 117 ALA CA C 13 53.221 0.400 . 1 . . . . 117 ALA CA . 7359 1 1194 . 1 1 117 117 ALA CB C 13 16.565 0.400 . 1 . . . . 117 ALA CB . 7359 1 1195 . 1 1 117 117 ALA N N 15 129.844 0.400 . 1 . . . . 117 ALA N . 7359 1 1196 . 1 1 118 118 ALA H H 1 8.217 0.040 . 1 . . . . 118 ALA H . 7359 1 1197 . 1 1 118 118 ALA HA H 1 4.401 0.040 . 1 . . . . 118 ALA HA . 7359 1 1198 . 1 1 118 118 ALA HB1 H 1 1.659 0.040 . 1 . . . . 118 ALA HB . 7359 1 1199 . 1 1 118 118 ALA HB2 H 1 1.659 0.040 . 1 . . . . 118 ALA HB . 7359 1 1200 . 1 1 118 118 ALA HB3 H 1 1.659 0.040 . 1 . . . . 118 ALA HB . 7359 1 1201 . 1 1 118 118 ALA CA C 13 52.430 0.400 . 1 . . . . 118 ALA CA . 7359 1 1202 . 1 1 118 118 ALA CB C 13 15.502 0.400 . 1 . . . . 118 ALA CB . 7359 1 1203 . 1 1 118 118 ALA N N 15 118.081 0.400 . 1 . . . . 118 ALA N . 7359 1 1204 . 1 1 119 119 LYS H H 1 8.048 0.040 . 1 . . . . 119 LYS H . 7359 1 1205 . 1 1 119 119 LYS HA H 1 4.240 0.040 . 1 . . . . 119 LYS HA . 7359 1 1206 . 1 1 119 119 LYS HB2 H 1 2.169 0.040 . 2 . . . . 119 LYS HB2 . 7359 1 1207 . 1 1 119 119 LYS HB3 H 1 2.010 0.040 . 2 . . . . 119 LYS HB3 . 7359 1 1208 . 1 1 119 119 LYS HG2 H 1 1.864 0.040 . 2 . . . . 119 LYS HG2 . 7359 1 1209 . 1 1 119 119 LYS HG3 H 1 1.646 0.040 . 2 . . . . 119 LYS HG3 . 7359 1 1210 . 1 1 119 119 LYS HD2 H 1 1.969 0.040 . 1 . . . . 119 LYS HD2 . 7359 1 1211 . 1 1 119 119 LYS HD3 H 1 1.969 0.040 . 1 . . . . 119 LYS HD3 . 7359 1 1212 . 1 1 119 119 LYS HE2 H 1 3.222 0.040 . 1 . . . . 119 LYS HE2 . 7359 1 1213 . 1 1 119 119 LYS HE3 H 1 3.222 0.040 . 1 . . . . 119 LYS HE3 . 7359 1 1214 . 1 1 119 119 LYS CA C 13 56.285 0.400 . 1 . . . . 119 LYS CA . 7359 1 1215 . 1 1 119 119 LYS CB C 13 29.979 0.400 . 1 . . . . 119 LYS CB . 7359 1 1216 . 1 1 119 119 LYS CG C 13 23.089 0.400 . 1 . . . . 119 LYS CG . 7359 1 1217 . 1 1 119 119 LYS CD C 13 26.564 0.400 . 1 . . . . 119 LYS CD . 7359 1 1218 . 1 1 119 119 LYS CE C 13 39.836 0.400 . 1 . . . . 119 LYS CE . 7359 1 1219 . 1 1 119 119 LYS N N 15 118.704 0.400 . 1 . . . . 119 LYS N . 7359 1 1220 . 1 1 120 120 PHE H H 1 8.616 0.040 . 1 . . . . 120 PHE H . 7359 1 1221 . 1 1 120 120 PHE HA H 1 3.846 0.040 . 1 . . . . 120 PHE HA . 7359 1 1222 . 1 1 120 120 PHE HB2 H 1 3.251 0.040 . 2 . . . . 120 PHE HB2 . 7359 1 1223 . 1 1 120 120 PHE HB3 H 1 2.829 0.040 . 2 . . . . 120 PHE HB3 . 7359 1 1224 . 1 1 120 120 PHE HD1 H 1 6.936 0.040 . 1 . . . . 120 PHE HD1 . 7359 1 1225 . 1 1 120 120 PHE HD2 H 1 6.936 0.040 . 1 . . . . 120 PHE HD2 . 7359 1 1226 . 1 1 120 120 PHE CA C 13 60.448 0.400 . 1 . . . . 120 PHE CA . 7359 1 1227 . 1 1 120 120 PHE CB C 13 36.365 0.400 . 1 . . . . 120 PHE CB . 7359 1 1228 . 1 1 120 120 PHE N N 15 120.201 0.400 . 1 . . . . 120 PHE N . 7359 1 1229 . 1 1 121 121 ASP H H 1 9.137 0.040 . 1 . . . . 121 ASP H . 7359 1 1230 . 1 1 121 121 ASP HA H 1 4.365 0.040 . 1 . . . . 121 ASP HA . 7359 1 1231 . 1 1 121 121 ASP HB2 H 1 2.839 0.040 . 1 . . . . 121 ASP HB2 . 7359 1 1232 . 1 1 121 121 ASP HB3 H 1 2.839 0.040 . 1 . . . . 121 ASP HB3 . 7359 1 1233 . 1 1 121 121 ASP CA C 13 55.174 0.400 . 1 . . . . 121 ASP CA . 7359 1 1234 . 1 1 121 121 ASP CB C 13 37.350 0.400 . 1 . . . . 121 ASP CB . 7359 1 1235 . 1 1 121 121 ASP N N 15 119.738 0.400 . 1 . . . . 121 ASP N . 7359 1 1236 . 1 1 122 122 ALA H H 1 7.740 0.040 . 1 . . . . 122 ALA H . 7359 1 1237 . 1 1 122 122 ALA HA H 1 4.275 0.040 . 1 . . . . 122 ALA HA . 7359 1 1238 . 1 1 122 122 ALA HB1 H 1 1.631 0.040 . 1 . . . . 122 ALA HB . 7359 1 1239 . 1 1 122 122 ALA HB2 H 1 1.631 0.040 . 1 . . . . 122 ALA HB . 7359 1 1240 . 1 1 122 122 ALA HB3 H 1 1.631 0.040 . 1 . . . . 122 ALA HB . 7359 1 1241 . 1 1 122 122 ALA CA C 13 51.709 0.400 . 1 . . . . 122 ALA CA . 7359 1 1242 . 1 1 122 122 ALA CB C 13 15.887 0.400 . 1 . . . . 122 ALA CB . 7359 1 1243 . 1 1 122 122 ALA N N 15 119.988 0.400 . 1 . . . . 122 ALA N . 7359 1 1244 . 1 1 123 123 ALA H H 1 7.536 0.040 . 1 . . . . 123 ALA H . 7359 1 1245 . 1 1 123 123 ALA HA H 1 4.324 0.040 . 1 . . . . 123 ALA HA . 7359 1 1246 . 1 1 123 123 ALA HB1 H 1 1.473 0.040 . 1 . . . . 123 ALA HB . 7359 1 1247 . 1 1 123 123 ALA HB2 H 1 1.473 0.040 . 1 . . . . 123 ALA HB . 7359 1 1248 . 1 1 123 123 ALA HB3 H 1 1.473 0.040 . 1 . . . . 123 ALA HB . 7359 1 1249 . 1 1 123 123 ALA CA C 13 51.521 0.400 . 1 . . . . 123 ALA CA . 7359 1 1250 . 1 1 123 123 ALA CB C 13 16.605 0.400 . 1 . . . . 123 ALA CB . 7359 1 1251 . 1 1 123 123 ALA N N 15 118.934 0.400 . 1 . . . . 123 ALA N . 7359 1 1252 . 1 1 124 124 TYR H H 1 9.092 0.040 . 1 . . . . 124 TYR H . 7359 1 1253 . 1 1 124 124 TYR HA H 1 3.896 0.040 . 1 . . . . 124 TYR HA . 7359 1 1254 . 1 1 124 124 TYR HB2 H 1 2.249 0.040 . 2 . . . . 124 TYR HB2 . 7359 1 1255 . 1 1 124 124 TYR HB3 H 1 1.887 0.040 . 2 . . . . 124 TYR HB3 . 7359 1 1256 . 1 1 124 124 TYR HE1 H 1 6.815 0.040 . 1 . . . . 124 TYR HE1 . 7359 1 1257 . 1 1 124 124 TYR HE2 H 1 6.815 0.040 . 1 . . . . 124 TYR HE2 . 7359 1 1258 . 1 1 124 124 TYR CA C 13 58.961 0.400 . 1 . . . . 124 TYR CA . 7359 1 1259 . 1 1 124 124 TYR CB C 13 36.583 0.400 . 1 . . . . 124 TYR CB . 7359 1 1260 . 1 1 124 124 TYR N N 15 120.204 0.400 . 1 . . . . 124 TYR N . 7359 1 1261 . 1 1 125 125 ASN H H 1 7.003 0.040 . 1 . . . . 125 ASN H . 7359 1 1262 . 1 1 125 125 ASN HA H 1 4.936 0.040 . 1 . . . . 125 ASN HA . 7359 1 1263 . 1 1 125 125 ASN HB2 H 1 3.126 0.040 . 2 . . . . 125 ASN HB2 . 7359 1 1264 . 1 1 125 125 ASN HB3 H 1 2.830 0.040 . 2 . . . . 125 ASN HB3 . 7359 1 1265 . 1 1 125 125 ASN CA C 13 50.221 0.400 . 1 . . . . 125 ASN CA . 7359 1 1266 . 1 1 125 125 ASN CB C 13 37.178 0.400 . 1 . . . . 125 ASN CB . 7359 1 1267 . 1 1 125 125 ASN N N 15 109.704 0.400 . 1 . . . . 125 ASN N . 7359 1 1268 . 1 1 126 126 GLY H H 1 7.640 0.040 . 1 . . . . 126 GLY H . 7359 1 1269 . 1 1 126 126 GLY HA2 H 1 4.261 0.040 . 2 . . . . 126 GLY HA2 . 7359 1 1270 . 1 1 126 126 GLY HA3 H 1 4.182 0.040 . 2 . . . . 126 GLY HA3 . 7359 1 1271 . 1 1 126 126 GLY CA C 13 42.439 0.400 . 1 . . . . 126 GLY CA . 7359 1 1272 . 1 1 126 126 GLY N N 15 107.711 0.400 . 1 . . . . 126 GLY N . 7359 1 1273 . 1 1 127 127 PHE H H 1 8.416 0.040 . 1 . . . . 127 PHE H . 7359 1 1274 . 1 1 127 127 PHE HA H 1 4.473 0.040 . 1 . . . . 127 PHE HA . 7359 1 1275 . 1 1 127 127 PHE HB2 H 1 3.402 0.040 . 2 . . . . 127 PHE HB2 . 7359 1 1276 . 1 1 127 127 PHE HB3 H 1 3.230 0.040 . 2 . . . . 127 PHE HB3 . 7359 1 1277 . 1 1 127 127 PHE CA C 13 57.779 0.400 . 1 . . . . 127 PHE CA . 7359 1 1278 . 1 1 127 127 PHE CB C 13 37.058 0.400 . 1 . . . . 127 PHE CB . 7359 1 1279 . 1 1 127 127 PHE N N 15 119.056 0.400 . 1 . . . . 127 PHE N . 7359 1 1280 . 1 1 128 128 ALA H H 1 8.489 0.040 . 1 . . . . 128 ALA H . 7359 1 1281 . 1 1 128 128 ALA HA H 1 4.123 0.040 . 1 . . . . 128 ALA HA . 7359 1 1282 . 1 1 128 128 ALA HB1 H 1 1.578 0.040 . 1 . . . . 128 ALA HB . 7359 1 1283 . 1 1 128 128 ALA HB2 H 1 1.578 0.040 . 1 . . . . 128 ALA HB . 7359 1 1284 . 1 1 128 128 ALA HB3 H 1 1.578 0.040 . 1 . . . . 128 ALA HB . 7359 1 1285 . 1 1 128 128 ALA CA C 13 53.056 0.400 . 1 . . . . 128 ALA CA . 7359 1 1286 . 1 1 128 128 ALA CB C 13 14.759 0.400 . 1 . . . . 128 ALA CB . 7359 1 1287 . 1 1 128 128 ALA N N 15 124.793 0.400 . 1 . . . . 128 ALA N . 7359 1 1288 . 1 1 129 129 VAL H H 1 8.504 0.040 . 1 . . . . 129 VAL H . 7359 1 1289 . 1 1 129 129 VAL HA H 1 3.676 0.040 . 1 . . . . 129 VAL HA . 7359 1 1290 . 1 1 129 129 VAL HB H 1 2.016 0.040 . 1 . . . . 129 VAL HB . 7359 1 1291 . 1 1 129 129 VAL HG11 H 1 0.888 0.040 . 1 . . . . 129 VAL HG1 . 7359 1 1292 . 1 1 129 129 VAL HG12 H 1 0.888 0.040 . 1 . . . . 129 VAL HG1 . 7359 1 1293 . 1 1 129 129 VAL HG13 H 1 0.888 0.040 . 1 . . . . 129 VAL HG1 . 7359 1 1294 . 1 1 129 129 VAL HG21 H 1 0.966 0.040 . 1 . . . . 129 VAL HG2 . 7359 1 1295 . 1 1 129 129 VAL HG22 H 1 0.966 0.040 . 1 . . . . 129 VAL HG2 . 7359 1 1296 . 1 1 129 129 VAL HG23 H 1 0.966 0.040 . 1 . . . . 129 VAL HG2 . 7359 1 1297 . 1 1 129 129 VAL CA C 13 64.260 0.400 . 1 . . . . 129 VAL CA . 7359 1 1298 . 1 1 129 129 VAL CB C 13 29.233 0.400 . 1 . . . . 129 VAL CB . 7359 1 1299 . 1 1 129 129 VAL CG1 C 13 21.813 0.400 . 1 . . . . 129 VAL CG1 . 7359 1 1300 . 1 1 129 129 VAL CG2 C 13 18.206 0.400 . 1 . . . . 129 VAL CG2 . 7359 1 1301 . 1 1 129 129 VAL N N 15 120.674 0.400 . 1 . . . . 129 VAL N . 7359 1 1302 . 1 1 130 130 ASP H H 1 7.251 0.040 . 1 . . . . 130 ASP H . 7359 1 1303 . 1 1 130 130 ASP HA H 1 4.282 0.040 . 1 . . . . 130 ASP HA . 7359 1 1304 . 1 1 130 130 ASP HB2 H 1 2.751 0.040 . 2 . . . . 130 ASP HB2 . 7359 1 1305 . 1 1 130 130 ASP HB3 H 1 2.701 0.040 . 2 . . . . 130 ASP HB3 . 7359 1 1306 . 1 1 130 130 ASP CA C 13 55.371 0.400 . 1 . . . . 130 ASP CA . 7359 1 1307 . 1 1 130 130 ASP CB C 13 39.812 0.400 . 1 . . . . 130 ASP CB . 7359 1 1308 . 1 1 130 130 ASP N N 15 119.498 0.400 . 1 . . . . 130 ASP N . 7359 1 1309 . 1 1 131 131 SER H H 1 8.279 0.040 . 1 . . . . 131 SER H . 7359 1 1310 . 1 1 131 131 SER HA H 1 4.094 0.040 . 1 . . . . 131 SER HA . 7359 1 1311 . 1 1 131 131 SER HB2 H 1 3.920 0.040 . 2 . . . . 131 SER HB2 . 7359 1 1312 . 1 1 131 131 SER HB3 H 1 3.801 0.040 . 2 . . . . 131 SER HB3 . 7359 1 1313 . 1 1 131 131 SER CA C 13 58.893 0.400 . 1 . . . . 131 SER CA . 7359 1 1314 . 1 1 131 131 SER CB C 13 60.240 0.400 . 1 . . . . 131 SER CB . 7359 1 1315 . 1 1 131 131 SER N N 15 112.070 0.400 . 1 . . . . 131 SER N . 7359 1 1316 . 1 1 132 132 MET H H 1 8.000 0.040 . 1 . . . . 132 MET H . 7359 1 1317 . 1 1 132 132 MET HA H 1 3.770 0.040 . 1 . . . . 132 MET HA . 7359 1 1318 . 1 1 132 132 MET HB2 H 1 2.298 0.040 . 2 . . . . 132 MET HB2 . 7359 1 1319 . 1 1 132 132 MET HB3 H 1 1.672 0.040 . 2 . . . . 132 MET HB3 . 7359 1 1320 . 1 1 132 132 MET HG2 H 1 2.691 0.040 . 2 . . . . 132 MET HG2 . 7359 1 1321 . 1 1 132 132 MET HG3 H 1 2.361 0.040 . 2 . . . . 132 MET HG3 . 7359 1 1322 . 1 1 132 132 MET HE1 H 1 2.239 0.040 . 1 . . . . 132 MET HE . 7359 1 1323 . 1 1 132 132 MET HE2 H 1 2.239 0.040 . 1 . . . . 132 MET HE . 7359 1 1324 . 1 1 132 132 MET HE3 H 1 2.239 0.040 . 1 . . . . 132 MET HE . 7359 1 1325 . 1 1 132 132 MET CA C 13 57.042 0.400 . 1 . . . . 132 MET CA . 7359 1 1326 . 1 1 132 132 MET CB C 13 31.898 0.400 . 1 . . . . 132 MET CB . 7359 1 1327 . 1 1 132 132 MET CG C 13 30.227 0.400 . 1 . . . . 132 MET CG . 7359 1 1328 . 1 1 132 132 MET CE C 13 14.677 0.400 . 1 . . . . 132 MET CE . 7359 1 1329 . 1 1 132 132 MET N N 15 122.586 0.400 . 1 . . . . 132 MET N . 7359 1 1330 . 1 1 133 133 VAL H H 1 7.919 0.040 . 1 . . . . 133 VAL H . 7359 1 1331 . 1 1 133 133 VAL HA H 1 3.713 0.040 . 1 . . . . 133 VAL HA . 7359 1 1332 . 1 1 133 133 VAL HB H 1 2.333 0.040 . 1 . . . . 133 VAL HB . 7359 1 1333 . 1 1 133 133 VAL HG11 H 1 1.138 0.040 . 1 . . . . 133 VAL HG1 . 7359 1 1334 . 1 1 133 133 VAL HG12 H 1 1.138 0.040 . 1 . . . . 133 VAL HG1 . 7359 1 1335 . 1 1 133 133 VAL HG13 H 1 1.138 0.040 . 1 . . . . 133 VAL HG1 . 7359 1 1336 . 1 1 133 133 VAL HG21 H 1 1.227 0.040 . 1 . . . . 133 VAL HG2 . 7359 1 1337 . 1 1 133 133 VAL HG22 H 1 1.227 0.040 . 1 . . . . 133 VAL HG2 . 7359 1 1338 . 1 1 133 133 VAL HG23 H 1 1.227 0.040 . 1 . . . . 133 VAL HG2 . 7359 1 1339 . 1 1 133 133 VAL CA C 13 63.763 0.400 . 1 . . . . 133 VAL CA . 7359 1 1340 . 1 1 133 133 VAL CB C 13 28.756 0.400 . 1 . . . . 133 VAL CB . 7359 1 1341 . 1 1 133 133 VAL CG1 C 13 20.676 0.400 . 1 . . . . 133 VAL CG1 . 7359 1 1342 . 1 1 133 133 VAL CG2 C 13 19.016 0.400 . 1 . . . . 133 VAL CG2 . 7359 1 1343 . 1 1 133 133 VAL N N 15 116.900 0.400 . 1 . . . . 133 VAL N . 7359 1 1344 . 1 1 134 134 ARG H H 1 7.690 0.040 . 1 . . . . 134 ARG H . 7359 1 1345 . 1 1 134 134 ARG HA H 1 4.324 0.040 . 1 . . . . 134 ARG HA . 7359 1 1346 . 1 1 134 134 ARG HB2 H 1 2.180 0.040 . 2 . . . . 134 ARG HB2 . 7359 1 1347 . 1 1 134 134 ARG HB3 H 1 2.007 0.040 . 2 . . . . 134 ARG HB3 . 7359 1 1348 . 1 1 134 134 ARG HG2 H 1 1.977 0.040 . 2 . . . . 134 ARG HG2 . 7359 1 1349 . 1 1 134 134 ARG HG3 H 1 1.861 0.040 . 2 . . . . 134 ARG HG3 . 7359 1 1350 . 1 1 134 134 ARG HD2 H 1 3.411 0.040 . 2 . . . . 134 ARG HD2 . 7359 1 1351 . 1 1 134 134 ARG HD3 H 1 3.254 0.040 . 2 . . . . 134 ARG HD3 . 7359 1 1352 . 1 1 134 134 ARG CA C 13 56.745 0.400 . 1 . . . . 134 ARG CA . 7359 1 1353 . 1 1 134 134 ARG CB C 13 27.412 0.400 . 1 . . . . 134 ARG CB . 7359 1 1354 . 1 1 134 134 ARG CG C 13 25.916 0.400 . 1 . . . . 134 ARG CG . 7359 1 1355 . 1 1 134 134 ARG CD C 13 40.881 0.400 . 1 . . . . 134 ARG CD . 7359 1 1356 . 1 1 134 134 ARG N N 15 117.242 0.400 . 1 . . . . 134 ARG N . 7359 1 1357 . 1 1 135 135 ARG H H 1 7.701 0.040 . 1 . . . . 135 ARG H . 7359 1 1358 . 1 1 135 135 ARG HA H 1 4.320 0.040 . 1 . . . . 135 ARG HA . 7359 1 1359 . 1 1 135 135 ARG HB2 H 1 2.157 0.040 . 2 . . . . 135 ARG HB2 . 7359 1 1360 . 1 1 135 135 ARG HB3 H 1 2.052 0.040 . 2 . . . . 135 ARG HB3 . 7359 1 1361 . 1 1 135 135 ARG HG2 H 1 1.972 0.040 . 2 . . . . 135 ARG HG2 . 7359 1 1362 . 1 1 135 135 ARG HG3 H 1 1.868 0.040 . 2 . . . . 135 ARG HG3 . 7359 1 1363 . 1 1 135 135 ARG HD2 H 1 3.369 0.040 . 2 . . . . 135 ARG HD2 . 7359 1 1364 . 1 1 135 135 ARG HD3 H 1 3.292 0.040 . 2 . . . . 135 ARG HD3 . 7359 1 1365 . 1 1 135 135 ARG CA C 13 56.873 0.400 . 1 . . . . 135 ARG CA . 7359 1 1366 . 1 1 135 135 ARG CB C 13 27.213 0.400 . 1 . . . . 135 ARG CB . 7359 1 1367 . 1 1 135 135 ARG CG C 13 24.858 0.400 . 1 . . . . 135 ARG CG . 7359 1 1368 . 1 1 135 135 ARG CD C 13 40.968 0.400 . 1 . . . . 135 ARG CD . 7359 1 1369 . 1 1 135 135 ARG N N 15 120.032 0.400 . 1 . . . . 135 ARG N . 7359 1 1370 . 1 1 136 136 PHE H H 1 8.801 0.040 . 1 . . . . 136 PHE H . 7359 1 1371 . 1 1 136 136 PHE HA H 1 4.939 0.040 . 1 . . . . 136 PHE HA . 7359 1 1372 . 1 1 136 136 PHE HB2 H 1 4.043 0.040 . 2 . . . . 136 PHE HB2 . 7359 1 1373 . 1 1 136 136 PHE HB3 H 1 3.715 0.040 . 2 . . . . 136 PHE HB3 . 7359 1 1374 . 1 1 136 136 PHE CA C 13 55.198 0.400 . 1 . . . . 136 PHE CA . 7359 1 1375 . 1 1 136 136 PHE CB C 13 36.315 0.400 . 1 . . . . 136 PHE CB . 7359 1 1376 . 1 1 136 136 PHE N N 15 120.525 0.400 . 1 . . . . 136 PHE N . 7359 1 1377 . 1 1 137 137 ASP H H 1 8.042 0.040 . 1 . . . . 137 ASP H . 7359 1 1378 . 1 1 137 137 ASP HA H 1 4.991 0.040 . 1 . . . . 137 ASP HA . 7359 1 1379 . 1 1 137 137 ASP HB2 H 1 2.943 0.040 . 1 . . . . 137 ASP HB2 . 7359 1 1380 . 1 1 137 137 ASP HB3 H 1 2.943 0.040 . 1 . . . . 137 ASP HB3 . 7359 1 1381 . 1 1 137 137 ASP CA C 13 55.091 0.400 . 1 . . . . 137 ASP CA . 7359 1 1382 . 1 1 137 137 ASP CB C 13 38.329 0.400 . 1 . . . . 137 ASP CB . 7359 1 1383 . 1 1 137 137 ASP N N 15 116.269 0.400 . 1 . . . . 137 ASP N . 7359 1 1384 . 1 1 138 138 LYS H H 1 8.604 0.040 . 1 . . . . 138 LYS H . 7359 1 1385 . 1 1 138 138 LYS HA H 1 4.349 0.040 . 1 . . . . 138 LYS HA . 7359 1 1386 . 1 1 138 138 LYS HB2 H 1 2.186 0.040 . 1 . . . . 138 LYS HB2 . 7359 1 1387 . 1 1 138 138 LYS HB3 H 1 2.186 0.040 . 1 . . . . 138 LYS HB3 . 7359 1 1388 . 1 1 138 138 LYS HG2 H 1 1.674 0.040 . 1 . . . . 138 LYS HG2 . 7359 1 1389 . 1 1 138 138 LYS HG3 H 1 1.674 0.040 . 1 . . . . 138 LYS HG3 . 7359 1 1390 . 1 1 138 138 LYS CA C 13 56.849 0.400 . 1 . . . . 138 LYS CA . 7359 1 1391 . 1 1 138 138 LYS CB C 13 30.167 0.400 . 1 . . . . 138 LYS CB . 7359 1 1392 . 1 1 138 138 LYS CG C 13 22.253 0.400 . 1 . . . . 138 LYS CG . 7359 1 1393 . 1 1 138 138 LYS N N 15 122.499 0.400 . 1 . . . . 138 LYS N . 7359 1 1394 . 1 1 139 139 GLN H H 1 8.916 0.040 . 1 . . . . 139 GLN H . 7359 1 1395 . 1 1 139 139 GLN HA H 1 4.367 0.040 . 1 . . . . 139 GLN HA . 7359 1 1396 . 1 1 139 139 GLN HB2 H 1 2.715 0.040 . 2 . . . . 139 GLN HB2 . 7359 1 1397 . 1 1 139 139 GLN HB3 H 1 2.526 0.040 . 2 . . . . 139 GLN HB3 . 7359 1 1398 . 1 1 139 139 GLN HG2 H 1 2.954 0.040 . 2 . . . . 139 GLN HG2 . 7359 1 1399 . 1 1 139 139 GLN HG3 H 1 2.732 0.040 . 2 . . . . 139 GLN HG3 . 7359 1 1400 . 1 1 139 139 GLN HE21 H 1 7.527 0.040 . 2 . . . . 139 GLN HE21 . 7359 1 1401 . 1 1 139 139 GLN HE22 H 1 7.021 0.040 . 2 . . . . 139 GLN HE22 . 7359 1 1402 . 1 1 139 139 GLN CA C 13 56.758 0.400 . 1 . . . . 139 GLN CA . 7359 1 1403 . 1 1 139 139 GLN CB C 13 26.443 0.400 . 1 . . . . 139 GLN CB . 7359 1 1404 . 1 1 139 139 GLN CG C 13 32.712 0.400 . 1 . . . . 139 GLN CG . 7359 1 1405 . 1 1 139 139 GLN N N 15 117.352 0.400 . 1 . . . . 139 GLN N . 7359 1 1406 . 1 1 139 139 GLN NE2 N 15 110.344 0.400 . 1 . . . . 139 GLN NE2 . 7359 1 1407 . 1 1 140 140 PHE H H 1 8.040 0.040 . 1 . . . . 140 PHE H . 7359 1 1408 . 1 1 140 140 PHE HA H 1 3.612 0.040 . 1 . . . . 140 PHE HA . 7359 1 1409 . 1 1 140 140 PHE HB2 H 1 3.528 0.040 . 2 . . . . 140 PHE HB2 . 7359 1 1410 . 1 1 140 140 PHE HB3 H 1 3.337 0.040 . 2 . . . . 140 PHE HB3 . 7359 1 1411 . 1 1 140 140 PHE CA C 13 59.069 0.400 . 1 . . . . 140 PHE CA . 7359 1 1412 . 1 1 140 140 PHE CB C 13 37.065 0.400 . 1 . . . . 140 PHE CB . 7359 1 1413 . 1 1 140 140 PHE N N 15 120.678 0.400 . 1 . . . . 140 PHE N . 7359 1 1414 . 1 1 141 141 GLN H H 1 8.545 0.040 . 1 . . . . 141 GLN H . 7359 1 1415 . 1 1 141 141 GLN HA H 1 4.141 0.040 . 1 . . . . 141 GLN HA . 7359 1 1416 . 1 1 141 141 GLN HB2 H 1 2.467 0.040 . 2 . . . . 141 GLN HB2 . 7359 1 1417 . 1 1 141 141 GLN HB3 H 1 2.387 0.040 . 2 . . . . 141 GLN HB3 . 7359 1 1418 . 1 1 141 141 GLN HG2 H 1 2.807 0.040 . 2 . . . . 141 GLN HG2 . 7359 1 1419 . 1 1 141 141 GLN HG3 H 1 2.675 0.040 . 2 . . . . 141 GLN HG3 . 7359 1 1420 . 1 1 141 141 GLN HE21 H 1 7.542 0.040 . 2 . . . . 141 GLN HE21 . 7359 1 1421 . 1 1 141 141 GLN HE22 H 1 6.906 0.040 . 2 . . . . 141 GLN HE22 . 7359 1 1422 . 1 1 141 141 GLN CA C 13 56.397 0.400 . 1 . . . . 141 GLN CA . 7359 1 1423 . 1 1 141 141 GLN CB C 13 26.209 0.400 . 1 . . . . 141 GLN CB . 7359 1 1424 . 1 1 141 141 GLN CG C 13 31.676 0.400 . 1 . . . . 141 GLN CG . 7359 1 1425 . 1 1 141 141 GLN N N 15 119.394 0.400 . 1 . . . . 141 GLN N . 7359 1 1426 . 1 1 141 141 GLN NE2 N 15 110.900 0.400 . 1 . . . . 141 GLN NE2 . 7359 1 1427 . 1 1 142 142 ASP H H 1 9.465 0.040 . 1 . . . . 142 ASP H . 7359 1 1428 . 1 1 142 142 ASP HA H 1 4.509 0.040 . 1 . . . . 142 ASP HA . 7359 1 1429 . 1 1 142 142 ASP HB2 H 1 2.923 0.040 . 2 . . . . 142 ASP HB2 . 7359 1 1430 . 1 1 142 142 ASP HB3 H 1 2.736 0.040 . 2 . . . . 142 ASP HB3 . 7359 1 1431 . 1 1 142 142 ASP CA C 13 54.514 0.400 . 1 . . . . 142 ASP CA . 7359 1 1432 . 1 1 142 142 ASP CB C 13 37.441 0.400 . 1 . . . . 142 ASP CB . 7359 1 1433 . 1 1 142 142 ASP N N 15 121.283 0.400 . 1 . . . . 142 ASP N . 7359 1 1434 . 1 1 143 143 SER H H 1 7.490 0.040 . 1 . . . . 143 SER H . 7359 1 1435 . 1 1 143 143 SER HA H 1 4.324 0.040 . 1 . . . . 143 SER HA . 7359 1 1436 . 1 1 143 143 SER HB2 H 1 4.002 0.040 . 2 . . . . 143 SER HB2 . 7359 1 1437 . 1 1 143 143 SER HB3 H 1 3.814 0.040 . 2 . . . . 143 SER HB3 . 7359 1 1438 . 1 1 143 143 SER CA C 13 57.945 0.400 . 1 . . . . 143 SER CA . 7359 1 1439 . 1 1 143 143 SER CB C 13 61.363 0.400 . 1 . . . . 143 SER CB . 7359 1 1440 . 1 1 143 143 SER N N 15 112.139 0.400 . 1 . . . . 143 SER N . 7359 1 1441 . 1 1 144 144 GLY H H 1 7.556 0.040 . 1 . . . . 144 GLY H . 7359 1 1442 . 1 1 144 144 GLY HA2 H 1 4.017 0.040 . 2 . . . . 144 GLY HA2 . 7359 1 1443 . 1 1 144 144 GLY HA3 H 1 3.832 0.040 . 2 . . . . 144 GLY HA3 . 7359 1 1444 . 1 1 144 144 GLY CA C 13 43.196 0.400 . 1 . . . . 144 GLY CA . 7359 1 1445 . 1 1 144 144 GLY N N 15 107.701 0.400 . 1 . . . . 144 GLY N . 7359 1 1446 . 1 1 145 145 LEU H H 1 6.840 0.040 . 1 . . . . 145 LEU H . 7359 1 1447 . 1 1 145 145 LEU HA H 1 4.121 0.040 . 1 . . . . 145 LEU HA . 7359 1 1448 . 1 1 145 145 LEU HB2 H 1 1.012 0.040 . 2 . . . . 145 LEU HB2 . 7359 1 1449 . 1 1 145 145 LEU HB3 H 1 0.571 0.040 . 2 . . . . 145 LEU HB3 . 7359 1 1450 . 1 1 145 145 LEU HG H 1 1.282 0.040 . 1 . . . . 145 LEU HG . 7359 1 1451 . 1 1 145 145 LEU HD11 H 1 0.436 0.040 . 1 . . . . 145 LEU HD1 . 7359 1 1452 . 1 1 145 145 LEU HD12 H 1 0.436 0.040 . 1 . . . . 145 LEU HD1 . 7359 1 1453 . 1 1 145 145 LEU HD13 H 1 0.436 0.040 . 1 . . . . 145 LEU HD1 . 7359 1 1454 . 1 1 145 145 LEU HD21 H 1 0.865 0.040 . 1 . . . . 145 LEU HD2 . 7359 1 1455 . 1 1 145 145 LEU HD22 H 1 0.865 0.040 . 1 . . . . 145 LEU HD2 . 7359 1 1456 . 1 1 145 145 LEU HD23 H 1 0.865 0.040 . 1 . . . . 145 LEU HD2 . 7359 1 1457 . 1 1 145 145 LEU CA C 13 51.962 0.400 . 1 . . . . 145 LEU CA . 7359 1 1458 . 1 1 145 145 LEU CB C 13 39.801 0.400 . 1 . . . . 145 LEU CB . 7359 1 1459 . 1 1 145 145 LEU CG C 13 24.360 0.400 . 1 . . . . 145 LEU CG . 7359 1 1460 . 1 1 145 145 LEU CD1 C 13 23.507 0.400 . 1 . . . . 145 LEU CD1 . 7359 1 1461 . 1 1 145 145 LEU CD2 C 13 21.483 0.400 . 1 . . . . 145 LEU CD2 . 7359 1 1462 . 1 1 145 145 LEU N N 15 118.849 0.400 . 1 . . . . 145 LEU N . 7359 1 1463 . 1 1 146 146 THR H H 1 8.326 0.040 . 1 . . . . 146 THR H . 7359 1 1464 . 1 1 146 146 THR HA H 1 4.491 0.040 . 1 . . . . 146 THR HA . 7359 1 1465 . 1 1 146 146 THR HB H 1 4.505 0.040 . 1 . . . . 146 THR HB . 7359 1 1466 . 1 1 146 146 THR HG21 H 1 1.208 0.040 . 1 . . . . 146 THR HG2 . 7359 1 1467 . 1 1 146 146 THR HG22 H 1 1.208 0.040 . 1 . . . . 146 THR HG2 . 7359 1 1468 . 1 1 146 146 THR HG23 H 1 1.208 0.040 . 1 . . . . 146 THR HG2 . 7359 1 1469 . 1 1 146 146 THR CA C 13 58.575 0.400 . 1 . . . . 146 THR CA . 7359 1 1470 . 1 1 146 146 THR CB C 13 67.609 0.400 . 1 . . . . 146 THR CB . 7359 1 1471 . 1 1 146 146 THR CG2 C 13 18.889 0.400 . 1 . . . . 146 THR CG2 . 7359 1 1472 . 1 1 146 146 THR N N 15 106.183 0.400 . 1 . . . . 146 THR N . 7359 1 1473 . 1 1 147 147 GLY H H 1 7.567 0.040 . 1 . . . . 147 GLY H . 7359 1 1474 . 1 1 147 147 GLY HA2 H 1 4.629 0.040 . 2 . . . . 147 GLY HA2 . 7359 1 1475 . 1 1 147 147 GLY HA3 H 1 4.236 0.040 . 2 . . . . 147 GLY HA3 . 7359 1 1476 . 1 1 147 147 GLY CA C 13 42.568 0.400 . 1 . . . . 147 GLY CA . 7359 1 1477 . 1 1 147 147 GLY N N 15 108.728 0.400 . 1 . . . . 147 GLY N . 7359 1 1478 . 1 1 148 148 VAL H H 1 8.261 0.040 . 1 . . . . 148 VAL H . 7359 1 1479 . 1 1 148 148 VAL HA H 1 4.705 0.040 . 1 . . . . 148 VAL HA . 7359 1 1480 . 1 1 148 148 VAL HB H 1 2.273 0.040 . 1 . . . . 148 VAL HB . 7359 1 1481 . 1 1 148 148 VAL HG11 H 1 0.837 0.040 . 1 . . . . 148 VAL HG1 . 7359 1 1482 . 1 1 148 148 VAL HG12 H 1 0.837 0.040 . 1 . . . . 148 VAL HG1 . 7359 1 1483 . 1 1 148 148 VAL HG13 H 1 0.837 0.040 . 1 . . . . 148 VAL HG1 . 7359 1 1484 . 1 1 148 148 VAL HG21 H 1 1.064 0.040 . 1 . . . . 148 VAL HG2 . 7359 1 1485 . 1 1 148 148 VAL HG22 H 1 1.064 0.040 . 1 . . . . 148 VAL HG2 . 7359 1 1486 . 1 1 148 148 VAL HG23 H 1 1.064 0.040 . 1 . . . . 148 VAL HG2 . 7359 1 1487 . 1 1 148 148 VAL CA C 13 55.248 0.400 . 1 . . . . 148 VAL CA . 7359 1 1488 . 1 1 148 148 VAL CB C 13 31.789 0.400 . 1 . . . . 148 VAL CB . 7359 1 1489 . 1 1 148 148 VAL CG1 C 13 21.654 0.400 . 1 . . . . 148 VAL CG1 . 7359 1 1490 . 1 1 148 148 VAL CG2 C 13 15.79 0.400 . 1 . . . . 148 VAL CG2 . 7359 1 1491 . 1 1 148 148 VAL N N 15 108.606 0.400 . 1 . . . . 148 VAL N . 7359 1 1492 . 1 1 149 149 PRO HA H 1 5.287 0.040 . 1 . . . . 149 PRO HA . 7359 1 1493 . 1 1 149 149 PRO HB2 H 1 1.962 0.040 . 1 . . . . 149 PRO HB2 . 7359 1 1494 . 1 1 149 149 PRO HB3 H 1 1.962 0.040 . 1 . . . . 149 PRO HB3 . 7359 1 1495 . 1 1 149 149 PRO HG2 H 1 1.664 0.040 . 1 . . . . 149 PRO HG2 . 7359 1 1496 . 1 1 149 149 PRO HG3 H 1 1.664 0.040 . 1 . . . . 149 PRO HG3 . 7359 1 1497 . 1 1 149 149 PRO HD2 H 1 3.072 0.040 . 1 . . . . 149 PRO HD2 . 7359 1 1498 . 1 1 149 149 PRO HD3 H 1 3.072 0.040 . 1 . . . . 149 PRO HD3 . 7359 1 1499 . 1 1 149 149 PRO CA C 13 59.235 0.400 . 1 . . . . 149 PRO CA . 7359 1 1500 . 1 1 149 149 PRO CB C 13 32.765 0.400 . 1 . . . . 149 PRO CB . 7359 1 1501 . 1 1 150 150 ALA H H 1 8.513 0.040 . 1 . . . . 150 ALA H . 7359 1 1502 . 1 1 150 150 ALA HA H 1 5.045 0.040 . 1 . . . . 150 ALA HA . 7359 1 1503 . 1 1 150 150 ALA HB1 H 1 1.834 0.040 . 1 . . . . 150 ALA HB . 7359 1 1504 . 1 1 150 150 ALA HB2 H 1 1.834 0.040 . 1 . . . . 150 ALA HB . 7359 1 1505 . 1 1 150 150 ALA HB3 H 1 1.834 0.040 . 1 . . . . 150 ALA HB . 7359 1 1506 . 1 1 150 150 ALA CA C 13 49.086 0.400 . 1 . . . . 150 ALA CA . 7359 1 1507 . 1 1 150 150 ALA CB C 13 20.985 0.400 . 1 . . . . 150 ALA CB . 7359 1 1508 . 1 1 150 150 ALA N N 15 123.473 0.400 . 1 . . . . 150 ALA N . 7359 1 1509 . 1 1 151 151 VAL H H 1 9.454 0.040 . 1 . . . . 151 VAL H . 7359 1 1510 . 1 1 151 151 VAL HA H 1 5.362 0.040 . 1 . . . . 151 VAL HA . 7359 1 1511 . 1 1 151 151 VAL HB H 1 2.297 0.040 . 1 . . . . 151 VAL HB . 7359 1 1512 . 1 1 151 151 VAL HG11 H 1 1.318 0.040 . 1 . . . . 151 VAL HG1 . 7359 1 1513 . 1 1 151 151 VAL HG12 H 1 1.318 0.040 . 1 . . . . 151 VAL HG1 . 7359 1 1514 . 1 1 151 151 VAL HG13 H 1 1.318 0.040 . 1 . . . . 151 VAL HG1 . 7359 1 1515 . 1 1 151 151 VAL HG21 H 1 1.068 0.040 . 1 . . . . 151 VAL HG2 . 7359 1 1516 . 1 1 151 151 VAL HG22 H 1 1.068 0.040 . 1 . . . . 151 VAL HG2 . 7359 1 1517 . 1 1 151 151 VAL HG23 H 1 1.068 0.040 . 1 . . . . 151 VAL HG2 . 7359 1 1518 . 1 1 151 151 VAL CA C 13 59.387 0.400 . 1 . . . . 151 VAL CA . 7359 1 1519 . 1 1 151 151 VAL CB C 13 30.807 0.400 . 1 . . . . 151 VAL CB . 7359 1 1520 . 1 1 151 151 VAL CG1 C 13 19.358 0.400 . 1 . . . . 151 VAL CG1 . 7359 1 1521 . 1 1 151 151 VAL CG2 C 13 18.306 0.400 . 1 . . . . 151 VAL CG2 . 7359 1 1522 . 1 1 151 151 VAL N N 15 125.774 0.400 . 1 . . . . 151 VAL N . 7359 1 1523 . 1 1 152 152 VAL H H 1 9.412 0.040 . 1 . . . . 152 VAL H . 7359 1 1524 . 1 1 152 152 VAL HA H 1 5.321 0.040 . 1 . . . . 152 VAL HA . 7359 1 1525 . 1 1 152 152 VAL HB H 1 2.178 0.040 . 1 . . . . 152 VAL HB . 7359 1 1526 . 1 1 152 152 VAL HG11 H 1 1.192 0.040 . 1 . . . . 152 VAL HG1 . 7359 1 1527 . 1 1 152 152 VAL HG12 H 1 1.192 0.040 . 1 . . . . 152 VAL HG1 . 7359 1 1528 . 1 1 152 152 VAL HG13 H 1 1.192 0.040 . 1 . . . . 152 VAL HG1 . 7359 1 1529 . 1 1 152 152 VAL HG21 H 1 0.947 0.040 . 1 . . . . 152 VAL HG2 . 7359 1 1530 . 1 1 152 152 VAL HG22 H 1 0.947 0.040 . 1 . . . . 152 VAL HG2 . 7359 1 1531 . 1 1 152 152 VAL HG23 H 1 0.947 0.040 . 1 . . . . 152 VAL HG2 . 7359 1 1532 . 1 1 152 152 VAL CA C 13 57.415 0.400 . 1 . . . . 152 VAL CA . 7359 1 1533 . 1 1 152 152 VAL CB C 13 32.574 0.400 . 1 . . . . 152 VAL CB . 7359 1 1534 . 1 1 152 152 VAL CG1 C 13 19.893 0.400 . 1 . . . . 152 VAL CG1 . 7359 1 1535 . 1 1 152 152 VAL CG2 C 13 19.473 0.400 . 1 . . . . 152 VAL CG2 . 7359 1 1536 . 1 1 152 152 VAL N N 15 127.187 0.400 . 1 . . . . 152 VAL N . 7359 1 1537 . 1 1 153 153 VAL H H 1 10.141 0.040 . 1 . . . . 153 VAL H . 7359 1 1538 . 1 1 153 153 VAL HA H 1 4.975 0.040 . 1 . . . . 153 VAL HA . 7359 1 1539 . 1 1 153 153 VAL HB H 1 2.233 0.040 . 1 . . . . 153 VAL HB . 7359 1 1540 . 1 1 153 153 VAL HG11 H 1 1.181 0.040 . 1 . . . . 153 VAL HG1 . 7359 1 1541 . 1 1 153 153 VAL HG12 H 1 1.181 0.040 . 1 . . . . 153 VAL HG1 . 7359 1 1542 . 1 1 153 153 VAL HG13 H 1 1.181 0.040 . 1 . . . . 153 VAL HG1 . 7359 1 1543 . 1 1 153 153 VAL HG21 H 1 1.133 0.040 . 1 . . . . 153 VAL HG2 . 7359 1 1544 . 1 1 153 153 VAL HG22 H 1 1.133 0.040 . 1 . . . . 153 VAL HG2 . 7359 1 1545 . 1 1 153 153 VAL HG23 H 1 1.133 0.040 . 1 . . . . 153 VAL HG2 . 7359 1 1546 . 1 1 153 153 VAL CA C 13 58.952 0.400 . 1 . . . . 153 VAL CA . 7359 1 1547 . 1 1 153 153 VAL CB C 13 31.347 0.400 . 1 . . . . 153 VAL CB . 7359 1 1548 . 1 1 153 153 VAL CG1 C 13 20.306 0.400 . 1 . . . . 153 VAL CG1 . 7359 1 1549 . 1 1 153 153 VAL CG2 C 13 18.729 0.400 . 1 . . . . 153 VAL CG2 . 7359 1 1550 . 1 1 153 153 VAL N N 15 130.198 0.400 . 1 . . . . 153 VAL N . 7359 1 1551 . 1 1 154 154 ASN H H 1 10.449 0.040 . 1 . . . . 154 ASN H . 7359 1 1552 . 1 1 154 154 ASN HA H 1 4.980 0.040 . 1 . . . . 154 ASN HA . 7359 1 1553 . 1 1 154 154 ASN HB2 H 1 3.575 0.040 . 2 . . . . 154 ASN HB2 . 7359 1 1554 . 1 1 154 154 ASN HB3 H 1 3.103 0.040 . 2 . . . . 154 ASN HB3 . 7359 1 1555 . 1 1 154 154 ASN HD21 H 1 7.544 0.040 . 2 . . . . 154 ASN HD21 . 7359 1 1556 . 1 1 154 154 ASN HD22 H 1 6.483 0.040 . 2 . . . . 154 ASN HD22 . 7359 1 1557 . 1 1 154 154 ASN CA C 13 51.849 0.400 . 1 . . . . 154 ASN CA . 7359 1 1558 . 1 1 154 154 ASN CB C 13 33.475 0.400 . 1 . . . . 154 ASN CB . 7359 1 1559 . 1 1 154 154 ASN N N 15 128.306 0.400 . 1 . . . . 154 ASN N . 7359 1 1560 . 1 1 154 154 ASN ND2 N 15 108.217 0.400 . 1 . . . . 154 ASN ND2 . 7359 1 1561 . 1 1 155 155 ASN H H 1 9.374 0.040 . 1 . . . . 155 ASN H . 7359 1 1562 . 1 1 155 155 ASN HA H 1 4.263 0.040 . 1 . . . . 155 ASN HA . 7359 1 1563 . 1 1 155 155 ASN HB2 H 1 3.494 0.040 . 2 . . . . 155 ASN HB2 . 7359 1 1564 . 1 1 155 155 ASN HB3 H 1 3.031 0.040 . 2 . . . . 155 ASN HB3 . 7359 1 1565 . 1 1 155 155 ASN HD21 H 1 7.901 0.040 . 2 . . . . 155 ASN HD21 . 7359 1 1566 . 1 1 155 155 ASN HD22 H 1 6.947 0.040 . 2 . . . . 155 ASN HD22 . 7359 1 1567 . 1 1 155 155 ASN CA C 13 52.903 0.400 . 1 . . . . 155 ASN CA . 7359 1 1568 . 1 1 155 155 ASN CB C 13 37.225 0.400 . 1 . . . . 155 ASN CB . 7359 1 1569 . 1 1 155 155 ASN N N 15 113.155 0.400 . 1 . . . . 155 ASN N . 7359 1 1570 . 1 1 155 155 ASN ND2 N 15 110.574 0.400 . 1 . . . . 155 ASN ND2 . 7359 1 1571 . 1 1 156 156 ARG H H 1 7.582 0.040 . 1 . . . . 156 ARG H . 7359 1 1572 . 1 1 156 156 ARG HA H 1 4.501 0.040 . 1 . . . . 156 ARG HA . 7359 1 1573 . 1 1 156 156 ARG HB2 H 1 1.503 0.040 . 2 . . . . 156 ARG HB2 . 7359 1 1574 . 1 1 156 156 ARG HB3 H 1 1.204 0.040 . 2 . . . . 156 ARG HB3 . 7359 1 1575 . 1 1 156 156 ARG HG2 H 1 1.324 0.040 . 2 . . . . 156 ARG HG2 . 7359 1 1576 . 1 1 156 156 ARG HG3 H 1 1.062 0.040 . 2 . . . . 156 ARG HG3 . 7359 1 1577 . 1 1 156 156 ARG HD2 H 1 3.252 0.040 . 2 . . . . 156 ARG HD2 . 7359 1 1578 . 1 1 156 156 ARG HD3 H 1 3.088 0.040 . 2 . . . . 156 ARG HD3 . 7359 1 1579 . 1 1 156 156 ARG CA C 13 53.602 0.400 . 1 . . . . 156 ARG CA . 7359 1 1580 . 1 1 156 156 ARG CB C 13 31.739 0.400 . 1 . . . . 156 ARG CB . 7359 1 1581 . 1 1 156 156 ARG CG C 13 24.337 0.400 . 1 . . . . 156 ARG CG . 7359 1 1582 . 1 1 156 156 ARG CD C 13 41.678 0.400 . 1 . . . . 156 ARG CD . 7359 1 1583 . 1 1 156 156 ARG N N 15 117.568 0.400 . 1 . . . . 156 ARG N . 7359 1 1584 . 1 1 157 157 TYR H H 1 8.401 0.040 . 1 . . . . 157 TYR H . 7359 1 1585 . 1 1 157 157 TYR HA H 1 5.645 0.040 . 1 . . . . 157 TYR HA . 7359 1 1586 . 1 1 157 157 TYR HB2 H 1 3.095 0.040 . 2 . . . . 157 TYR HB2 . 7359 1 1587 . 1 1 157 157 TYR HB3 H 1 2.850 0.040 . 2 . . . . 157 TYR HB3 . 7359 1 1588 . 1 1 157 157 TYR HD1 H 1 6.973 0.040 . 1 . . . . 157 TYR HD1 . 7359 1 1589 . 1 1 157 157 TYR HD2 H 1 6.973 0.040 . 1 . . . . 157 TYR HD2 . 7359 1 1590 . 1 1 157 157 TYR CA C 13 53.658 0.400 . 1 . . . . 157 TYR CA . 7359 1 1591 . 1 1 157 157 TYR CB C 13 37.894 0.400 . 1 . . . . 157 TYR CB . 7359 1 1592 . 1 1 157 157 TYR N N 15 117.911 0.400 . 1 . . . . 157 TYR N . 7359 1 1593 . 1 1 158 158 LEU H H 1 9.542 0.040 . 1 . . . . 158 LEU H . 7359 1 1594 . 1 1 158 158 LEU HA H 1 5.082 0.040 . 1 . . . . 158 LEU HA . 7359 1 1595 . 1 1 158 158 LEU HB2 H 1 2.139 0.040 . 2 . . . . 158 LEU HB2 . 7359 1 1596 . 1 1 158 158 LEU HB3 H 1 1.516 0.040 . 2 . . . . 158 LEU HB3 . 7359 1 1597 . 1 1 158 158 LEU HG H 1 1.662 0.040 . 1 . . . . 158 LEU HG . 7359 1 1598 . 1 1 158 158 LEU HD11 H 1 1.049 0.040 . 1 . . . . 158 LEU HD1 . 7359 1 1599 . 1 1 158 158 LEU HD12 H 1 1.049 0.040 . 1 . . . . 158 LEU HD1 . 7359 1 1600 . 1 1 158 158 LEU HD13 H 1 1.049 0.040 . 1 . . . . 158 LEU HD1 . 7359 1 1601 . 1 1 158 158 LEU HD21 H 1 1.252 0.040 . 1 . . . . 158 LEU HD2 . 7359 1 1602 . 1 1 158 158 LEU HD22 H 1 1.252 0.040 . 1 . . . . 158 LEU HD2 . 7359 1 1603 . 1 1 158 158 LEU HD23 H 1 1.252 0.040 . 1 . . . . 158 LEU HD2 . 7359 1 1604 . 1 1 158 158 LEU CA C 13 51.783 0.400 . 1 . . . . 158 LEU CA . 7359 1 1605 . 1 1 158 158 LEU CB C 13 41.846 0.400 . 1 . . . . 158 LEU CB . 7359 1 1606 . 1 1 158 158 LEU CG C 13 24.883 0.400 . 1 . . . . 158 LEU CG . 7359 1 1607 . 1 1 158 158 LEU CD1 C 13 23.584 0.400 . 1 . . . . 158 LEU CD1 . 7359 1 1608 . 1 1 158 158 LEU CD2 C 13 21.515 0.400 . 1 . . . . 158 LEU CD2 . 7359 1 1609 . 1 1 158 158 LEU N N 15 127.956 0.400 . 1 . . . . 158 LEU N . 7359 1 1610 . 1 1 159 159 VAL H H 1 9.028 0.040 . 1 . . . . 159 VAL H . 7359 1 1611 . 1 1 159 159 VAL HA H 1 3.911 0.040 . 1 . . . . 159 VAL HA . 7359 1 1612 . 1 1 159 159 VAL HB H 1 2.380 0.040 . 1 . . . . 159 VAL HB . 7359 1 1613 . 1 1 159 159 VAL HG11 H 1 1.075 0.040 . 1 . . . . 159 VAL HG1 . 7359 1 1614 . 1 1 159 159 VAL HG12 H 1 1.075 0.040 . 1 . . . . 159 VAL HG1 . 7359 1 1615 . 1 1 159 159 VAL HG13 H 1 1.075 0.040 . 1 . . . . 159 VAL HG1 . 7359 1 1616 . 1 1 159 159 VAL HG21 H 1 1.031 0.040 . 1 . . . . 159 VAL HG2 . 7359 1 1617 . 1 1 159 159 VAL HG22 H 1 1.031 0.040 . 1 . . . . 159 VAL HG2 . 7359 1 1618 . 1 1 159 159 VAL HG23 H 1 1.031 0.040 . 1 . . . . 159 VAL HG2 . 7359 1 1619 . 1 1 159 159 VAL CA C 13 61.789 0.400 . 1 . . . . 159 VAL CA . 7359 1 1620 . 1 1 159 159 VAL CB C 13 30.130 0.400 . 1 . . . . 159 VAL CB . 7359 1 1621 . 1 1 159 159 VAL CG1 C 13 20.667 0.400 . 1 . . . . 159 VAL CG1 . 7359 1 1622 . 1 1 159 159 VAL CG2 C 13 19.584 0.400 . 1 . . . . 159 VAL CG2 . 7359 1 1623 . 1 1 159 159 VAL N N 15 129.011 0.400 . 1 . . . . 159 VAL N . 7359 1 1624 . 1 1 160 160 GLN H H 1 8.415 0.040 . 1 . . . . 160 GLN H . 7359 1 1625 . 1 1 160 160 GLN HA H 1 4.992 0.040 . 1 . . . . 160 GLN HA . 7359 1 1626 . 1 1 160 160 GLN HB2 H 1 2.289 0.040 . 1 . . . . 160 GLN HB2 . 7359 1 1627 . 1 1 160 160 GLN HB3 H 1 2.289 0.040 . 1 . . . . 160 GLN HB3 . 7359 1 1628 . 1 1 160 160 GLN HG2 H 1 2.326 0.040 . 1 . . . . 160 GLN HG2 . 7359 1 1629 . 1 1 160 160 GLN HG3 H 1 2.326 0.040 . 1 . . . . 160 GLN HG3 . 7359 1 1630 . 1 1 160 160 GLN CA C 13 52.018 0.400 . 1 . . . . 160 GLN CA . 7359 1 1631 . 1 1 160 160 GLN CB C 13 25.177 0.400 . 1 . . . . 160 GLN CB . 7359 1 1632 . 1 1 160 160 GLN CG C 13 31.015 0.400 . 1 . . . . 160 GLN CG . 7359 1 1633 . 1 1 160 160 GLN N N 15 128.073 0.400 . 1 . . . . 160 GLN N . 7359 1 1634 . 1 1 161 161 GLY H H 1 8.537 0.040 . 1 . . . . 161 GLY H . 7359 1 1635 . 1 1 161 161 GLY HA2 H 1 4.286 0.040 . 2 . . . . 161 GLY HA2 . 7359 1 1636 . 1 1 161 161 GLY HA3 H 1 4.072 0.040 . 2 . . . . 161 GLY HA3 . 7359 1 1637 . 1 1 161 161 GLY CA C 13 45.115 0.400 . 1 . . . . 161 GLY CA . 7359 1 1638 . 1 1 161 161 GLY N N 15 112.587 0.400 . 1 . . . . 161 GLY N . 7359 1 1639 . 1 1 162 162 GLN H H 1 9.049 0.040 . 1 . . . . 162 GLN H . 7359 1 1640 . 1 1 162 162 GLN HA H 1 4.471 0.040 . 1 . . . . 162 GLN HA . 7359 1 1641 . 1 1 162 162 GLN HB2 H 1 2.296 0.040 . 2 . . . . 162 GLN HB2 . 7359 1 1642 . 1 1 162 162 GLN HB3 H 1 2.248 0.040 . 2 . . . . 162 GLN HB3 . 7359 1 1643 . 1 1 162 162 GLN HG2 H 1 2.577 0.040 . 2 . . . . 162 GLN HG2 . 7359 1 1644 . 1 1 162 162 GLN HG3 H 1 2.541 0.040 . 2 . . . . 162 GLN HG3 . 7359 1 1645 . 1 1 162 162 GLN HE21 H 1 7.626 0.040 . 2 . . . . 162 GLN HE21 . 7359 1 1646 . 1 1 162 162 GLN HE22 H 1 6.880 0.040 . 2 . . . . 162 GLN HE22 . 7359 1 1647 . 1 1 162 162 GLN CA C 13 54.701 0.400 . 1 . . . . 162 GLN CA . 7359 1 1648 . 1 1 162 162 GLN CB C 13 25.439 0.400 . 1 . . . . 162 GLN CB . 7359 1 1649 . 1 1 162 162 GLN CG C 13 31.349 0.400 . 1 . . . . 162 GLN CG . 7359 1 1650 . 1 1 162 162 GLN N N 15 118.792 0.400 . 1 . . . . 162 GLN N . 7359 1 1651 . 1 1 162 162 GLN NE2 N 15 111.696 0.400 . 1 . . . . 162 GLN NE2 . 7359 1 1652 . 1 1 163 163 SER H H 1 8.160 0.040 . 1 . . . . 163 SER H . 7359 1 1653 . 1 1 163 163 SER HA H 1 4.547 0.040 . 1 . . . . 163 SER HA . 7359 1 1654 . 1 1 163 163 SER HB2 H 1 4.164 0.040 . 2 . . . . 163 SER HB2 . 7359 1 1655 . 1 1 163 163 SER HB3 H 1 4.094 0.040 . 2 . . . . 163 SER HB3 . 7359 1 1656 . 1 1 163 163 SER CA C 13 56.909 0.400 . 1 . . . . 163 SER CA . 7359 1 1657 . 1 1 163 163 SER CB C 13 60.976 0.400 . 1 . . . . 163 SER CB . 7359 1 1658 . 1 1 163 163 SER N N 15 114.874 0.400 . 1 . . . . 163 SER N . 7359 1 1659 . 1 1 164 164 ALA H H 1 7.733 0.040 . 1 . . . . 164 ALA H . 7359 1 1660 . 1 1 164 164 ALA HA H 1 4.831 0.040 . 1 . . . . 164 ALA HA . 7359 1 1661 . 1 1 164 164 ALA HB1 H 1 1.686 0.040 . 1 . . . . 164 ALA HB . 7359 1 1662 . 1 1 164 164 ALA HB2 H 1 1.686 0.040 . 1 . . . . 164 ALA HB . 7359 1 1663 . 1 1 164 164 ALA HB3 H 1 1.686 0.040 . 1 . . . . 164 ALA HB . 7359 1 1664 . 1 1 164 164 ALA CA C 13 48.998 0.400 . 1 . . . . 164 ALA CA . 7359 1 1665 . 1 1 164 164 ALA CB C 13 16.581 0.400 . 1 . . . . 164 ALA CB . 7359 1 1666 . 1 1 164 164 ALA N N 15 125.231 0.400 . 1 . . . . 164 ALA N . 7359 1 1667 . 1 1 165 165 LYS H H 1 9.182 0.040 . 1 . . . . 165 LYS H . 7359 1 1668 . 1 1 165 165 LYS HA H 1 4.426 0.040 . 1 . . . . 165 LYS HA . 7359 1 1669 . 1 1 165 165 LYS HB2 H 1 2.137 0.040 . 2 . . . . 165 LYS HB2 . 7359 1 1670 . 1 1 165 165 LYS HB3 H 1 2.056 0.040 . 2 . . . . 165 LYS HB3 . 7359 1 1671 . 1 1 165 165 LYS HG2 H 1 1.777 0.040 . 2 . . . . 165 LYS HG2 . 7359 1 1672 . 1 1 165 165 LYS HG3 H 1 1.698 0.040 . 2 . . . . 165 LYS HG3 . 7359 1 1673 . 1 1 165 165 LYS HD2 H 1 1.928 0.040 . 1 . . . . 165 LYS HD2 . 7359 1 1674 . 1 1 165 165 LYS HD3 H 1 1.928 0.040 . 1 . . . . 165 LYS HD3 . 7359 1 1675 . 1 1 165 165 LYS HE2 H 1 3.259 0.040 . 1 . . . . 165 LYS HE2 . 7359 1 1676 . 1 1 165 165 LYS HE3 H 1 3.259 0.040 . 1 . . . . 165 LYS HE3 . 7359 1 1677 . 1 1 165 165 LYS CA C 13 54.408 0.400 . 1 . . . . 165 LYS CA . 7359 1 1678 . 1 1 165 165 LYS CB C 13 29.859 0.400 . 1 . . . . 165 LYS CB . 7359 1 1679 . 1 1 165 165 LYS CG C 13 22.407 0.400 . 1 . . . . 165 LYS CG . 7359 1 1680 . 1 1 165 165 LYS CD C 13 26.236 0.400 . 1 . . . . 165 LYS CD . 7359 1 1681 . 1 1 165 165 LYS CE C 13 39.692 0.400 . 1 . . . . 165 LYS CE . 7359 1 1682 . 1 1 165 165 LYS N N 15 121.752 0.400 . 1 . . . . 165 LYS N . 7359 1 1683 . 1 1 166 166 SER H H 1 7.777 0.040 . 1 . . . . 166 SER H . 7359 1 1684 . 1 1 166 166 SER HA H 1 4.813 0.040 . 1 . . . . 166 SER HA . 7359 1 1685 . 1 1 166 166 SER HB2 H 1 4.307 0.040 . 2 . . . . 166 SER HB2 . 7359 1 1686 . 1 1 166 166 SER HB3 H 1 4.144 0.040 . 2 . . . . 166 SER HB3 . 7359 1 1687 . 1 1 166 166 SER CA C 13 53.787 0.400 . 1 . . . . 166 SER CA . 7359 1 1688 . 1 1 166 166 SER CB C 13 63.101 0.400 . 1 . . . . 166 SER CB . 7359 1 1689 . 1 1 166 166 SER N N 15 111.097 0.400 . 1 . . . . 166 SER N . 7359 1 1690 . 1 1 167 167 LEU H H 1 8.922 0.040 . 1 . . . . 167 LEU H . 7359 1 1691 . 1 1 167 167 LEU HA H 1 4.000 0.040 . 1 . . . . 167 LEU HA . 7359 1 1692 . 1 1 167 167 LEU HB2 H 1 1.655 0.040 . 2 . . . . 167 LEU HB2 . 7359 1 1693 . 1 1 167 167 LEU HB3 H 1 1.482 0.040 . 2 . . . . 167 LEU HB3 . 7359 1 1694 . 1 1 167 167 LEU HG H 1 1.456 0.040 . 1 . . . . 167 LEU HG . 7359 1 1695 . 1 1 167 167 LEU HD11 H 1 0.878 0.040 . 2 . . . . 167 LEU HD1 . 7359 1 1696 . 1 1 167 167 LEU HD12 H 1 0.878 0.040 . 2 . . . . 167 LEU HD1 . 7359 1 1697 . 1 1 167 167 LEU HD13 H 1 0.878 0.040 . 2 . . . . 167 LEU HD1 . 7359 1 1698 . 1 1 167 167 LEU HD21 H 1 0.878 0.040 . 2 . . . . 167 LEU HD2 . 7359 1 1699 . 1 1 167 167 LEU HD22 H 1 0.878 0.040 . 2 . . . . 167 LEU HD2 . 7359 1 1700 . 1 1 167 167 LEU HD23 H 1 0.878 0.040 . 2 . . . . 167 LEU HD2 . 7359 1 1701 . 1 1 167 167 LEU CA C 13 55.058 0.400 . 1 . . . . 167 LEU CA . 7359 1 1702 . 1 1 167 167 LEU CB C 13 38.435 0.400 . 1 . . . . 167 LEU CB . 7359 1 1703 . 1 1 167 167 LEU CG C 13 24.175 0.400 . 1 . . . . 167 LEU CG . 7359 1 1704 . 1 1 167 167 LEU CD1 C 13 22.133 0.400 . 1 . . . . 167 LEU CD1 . 7359 1 1705 . 1 1 167 167 LEU CD2 C 13 22.133 0.400 . 1 . . . . 167 LEU CD2 . 7359 1 1706 . 1 1 167 167 LEU N N 15 123.661 0.400 . 1 . . . . 167 LEU N . 7359 1 1707 . 1 1 168 168 ASP H H 1 8.056 0.040 . 1 . . . . 168 ASP H . 7359 1 1708 . 1 1 168 168 ASP HA H 1 4.403 0.040 . 1 . . . . 168 ASP HA . 7359 1 1709 . 1 1 168 168 ASP HB2 H 1 2.878 0.040 . 2 . . . . 168 ASP HB2 . 7359 1 1710 . 1 1 168 168 ASP HB3 H 1 2.674 0.040 . 2 . . . . 168 ASP HB3 . 7359 1 1711 . 1 1 168 168 ASP CA C 13 54.775 0.400 . 1 . . . . 168 ASP CA . 7359 1 1712 . 1 1 168 168 ASP CB C 13 37.734 0.400 . 1 . . . . 168 ASP CB . 7359 1 1713 . 1 1 168 168 ASP N N 15 115.615 0.400 . 1 . . . . 168 ASP N . 7359 1 1714 . 1 1 169 169 GLU H H 1 7.746 0.040 . 1 . . . . 169 GLU H . 7359 1 1715 . 1 1 169 169 GLU HA H 1 4.377 0.040 . 1 . . . . 169 GLU HA . 7359 1 1716 . 1 1 169 169 GLU HB2 H 1 2.392 0.040 . 2 . . . . 169 GLU HB2 . 7359 1 1717 . 1 1 169 169 GLU HB3 H 1 2.322 0.040 . 2 . . . . 169 GLU HB3 . 7359 1 1718 . 1 1 169 169 GLU HG2 H 1 2.683 0.040 . 2 . . . . 169 GLU HG2 . 7359 1 1719 . 1 1 169 169 GLU HG3 H 1 2.593 0.040 . 2 . . . . 169 GLU HG3 . 7359 1 1720 . 1 1 169 169 GLU CA C 13 56.706 0.400 . 1 . . . . 169 GLU CA . 7359 1 1721 . 1 1 169 169 GLU CB C 13 27.961 0.400 . 1 . . . . 169 GLU CB . 7359 1 1722 . 1 1 169 169 GLU CG C 13 35.195 0.400 . 1 . . . . 169 GLU CG . 7359 1 1723 . 1 1 169 169 GLU N N 15 119.385 0.400 . 1 . . . . 169 GLU N . 7359 1 1724 . 1 1 170 170 TYR H H 1 7.953 0.040 . 1 . . . . 170 TYR H . 7359 1 1725 . 1 1 170 170 TYR HA H 1 3.999 0.040 . 1 . . . . 170 TYR HA . 7359 1 1726 . 1 1 170 170 TYR HB2 H 1 3.275 0.040 . 2 . . . . 170 TYR HB2 . 7359 1 1727 . 1 1 170 170 TYR HB3 H 1 3.023 0.040 . 2 . . . . 170 TYR HB3 . 7359 1 1728 . 1 1 170 170 TYR HD1 H 1 7.045 0.040 . 1 . . . . 170 TYR HD1 . 7359 1 1729 . 1 1 170 170 TYR HD2 H 1 7.045 0.040 . 1 . . . . 170 TYR HD2 . 7359 1 1730 . 1 1 170 170 TYR CA C 13 59.767 0.400 . 1 . . . . 170 TYR CA . 7359 1 1731 . 1 1 170 170 TYR CB C 13 35.824 0.400 . 1 . . . . 170 TYR CB . 7359 1 1732 . 1 1 170 170 TYR N N 15 121.391 0.400 . 1 . . . . 170 TYR N . 7359 1 1733 . 1 1 171 171 PHE H H 1 8.427 0.040 . 1 . . . . 171 PHE H . 7359 1 1734 . 1 1 171 171 PHE HA H 1 4.461 0.040 . 1 . . . . 171 PHE HA . 7359 1 1735 . 1 1 171 171 PHE HB2 H 1 3.408 0.040 . 1 . . . . 171 PHE HB2 . 7359 1 1736 . 1 1 171 171 PHE HB3 H 1 3.408 0.040 . 1 . . . . 171 PHE HB3 . 7359 1 1737 . 1 1 171 171 PHE CA C 13 55.908 0.400 . 1 . . . . 171 PHE CA . 7359 1 1738 . 1 1 171 171 PHE CB C 13 34.112 0.400 . 1 . . . . 171 PHE CB . 7359 1 1739 . 1 1 171 171 PHE N N 15 117.039 0.400 . 1 . . . . 171 PHE N . 7359 1 1740 . 1 1 172 172 ASP H H 1 8.342 0.040 . 1 . . . . 172 ASP H . 7359 1 1741 . 1 1 172 172 ASP HA H 1 4.642 0.040 . 1 . . . . 172 ASP HA . 7359 1 1742 . 1 1 172 172 ASP HB2 H 1 3.241 0.040 . 2 . . . . 172 ASP HB2 . 7359 1 1743 . 1 1 172 172 ASP HB3 H 1 2.990 0.040 . 2 . . . . 172 ASP HB3 . 7359 1 1744 . 1 1 172 172 ASP CA C 13 54.941 0.400 . 1 . . . . 172 ASP CA . 7359 1 1745 . 1 1 172 172 ASP CB C 13 37.776 0.400 . 1 . . . . 172 ASP CB . 7359 1 1746 . 1 1 172 172 ASP N N 15 120.487 0.400 . 1 . . . . 172 ASP N . 7359 1 1747 . 1 1 173 173 LEU H H 1 8.327 0.040 . 1 . . . . 173 LEU H . 7359 1 1748 . 1 1 173 173 LEU HA H 1 3.219 0.040 . 1 . . . . 173 LEU HA . 7359 1 1749 . 1 1 173 173 LEU HB2 H 1 2.082 0.040 . 2 . . . . 173 LEU HB2 . 7359 1 1750 . 1 1 173 173 LEU HB3 H 1 0.852 0.040 . 2 . . . . 173 LEU HB3 . 7359 1 1751 . 1 1 173 173 LEU HG H 1 1.235 0.040 . 1 . . . . 173 LEU HG . 7359 1 1752 . 1 1 173 173 LEU HD11 H 1 1.096 0.040 . 1 . . . . 173 LEU HD1 . 7359 1 1753 . 1 1 173 173 LEU HD12 H 1 1.096 0.040 . 1 . . . . 173 LEU HD1 . 7359 1 1754 . 1 1 173 173 LEU HD13 H 1 1.096 0.040 . 1 . . . . 173 LEU HD1 . 7359 1 1755 . 1 1 173 173 LEU HD21 H 1 0.541 0.040 . 1 . . . . 173 LEU HD2 . 7359 1 1756 . 1 1 173 173 LEU HD22 H 1 0.541 0.040 . 1 . . . . 173 LEU HD2 . 7359 1 1757 . 1 1 173 173 LEU HD23 H 1 0.541 0.040 . 1 . . . . 173 LEU HD2 . 7359 1 1758 . 1 1 173 173 LEU CA C 13 55.189 0.400 . 1 . . . . 173 LEU CA . 7359 1 1759 . 1 1 173 173 LEU CB C 13 37.972 0.400 . 1 . . . . 173 LEU CB . 7359 1 1760 . 1 1 173 173 LEU CD1 C 13 24.320 0.400 . 1 . . . . 173 LEU CD1 . 7359 1 1761 . 1 1 173 173 LEU CD2 C 13 20.171 0.400 . 1 . . . . 173 LEU CD2 . 7359 1 1762 . 1 1 173 173 LEU N N 15 124.189 0.400 . 1 . . . . 173 LEU N . 7359 1 1763 . 1 1 174 174 VAL H H 1 7.957 0.040 . 1 . . . . 174 VAL H . 7359 1 1764 . 1 1 174 174 VAL HA H 1 3.333 0.040 . 1 . . . . 174 VAL HA . 7359 1 1765 . 1 1 174 174 VAL HB H 1 2.150 0.040 . 1 . . . . 174 VAL HB . 7359 1 1766 . 1 1 174 174 VAL HG11 H 1 0.858 0.040 . 1 . . . . 174 VAL HG1 . 7359 1 1767 . 1 1 174 174 VAL HG12 H 1 0.858 0.040 . 1 . . . . 174 VAL HG1 . 7359 1 1768 . 1 1 174 174 VAL HG13 H 1 0.858 0.040 . 1 . . . . 174 VAL HG1 . 7359 1 1769 . 1 1 174 174 VAL HG21 H 1 0.980 0.040 . 1 . . . . 174 VAL HG2 . 7359 1 1770 . 1 1 174 174 VAL HG22 H 1 0.980 0.040 . 1 . . . . 174 VAL HG2 . 7359 1 1771 . 1 1 174 174 VAL HG23 H 1 0.980 0.040 . 1 . . . . 174 VAL HG2 . 7359 1 1772 . 1 1 174 174 VAL CA C 13 65.171 0.400 . 1 . . . . 174 VAL CA . 7359 1 1773 . 1 1 174 174 VAL CB C 13 28.535 0.400 . 1 . . . . 174 VAL CB . 7359 1 1774 . 1 1 174 174 VAL CG1 C 13 20.387 0.400 . 1 . . . . 174 VAL CG1 . 7359 1 1775 . 1 1 174 174 VAL CG2 C 13 19.264 0.400 . 1 . . . . 174 VAL CG2 . 7359 1 1776 . 1 1 174 174 VAL N N 15 119.598 0.400 . 1 . . . . 174 VAL N . 7359 1 1777 . 1 1 175 175 ASN H H 1 8.356 0.040 . 1 . . . . 175 ASN H . 7359 1 1778 . 1 1 175 175 ASN HA H 1 4.489 0.040 . 1 . . . . 175 ASN HA . 7359 1 1779 . 1 1 175 175 ASN HB2 H 1 3.033 0.040 . 2 . . . . 175 ASN HB2 . 7359 1 1780 . 1 1 175 175 ASN HB3 H 1 2.839 0.040 . 2 . . . . 175 ASN HB3 . 7359 1 1781 . 1 1 175 175 ASN HD21 H 1 7.364 0.040 . 2 . . . . 175 ASN HD21 . 7359 1 1782 . 1 1 175 175 ASN HD22 H 1 7.041 0.040 . 2 . . . . 175 ASN HD22 . 7359 1 1783 . 1 1 175 175 ASN CA C 13 53.931 0.400 . 1 . . . . 175 ASN CA . 7359 1 1784 . 1 1 175 175 ASN CB C 13 35.713 0.400 . 1 . . . . 175 ASN CB . 7359 1 1785 . 1 1 175 175 ASN N N 15 116.379 0.400 . 1 . . . . 175 ASN N . 7359 1 1786 . 1 1 175 175 ASN ND2 N 15 108.740 0.400 . 1 . . . . 175 ASN ND2 . 7359 1 1787 . 1 1 176 176 TYR H H 1 8.419 0.040 . 1 . . . . 176 TYR H . 7359 1 1788 . 1 1 176 176 TYR HA H 1 4.460 0.040 . 1 . . . . 176 TYR HA . 7359 1 1789 . 1 1 176 176 TYR HB2 H 1 3.497 0.040 . 2 . . . . 176 TYR HB2 . 7359 1 1790 . 1 1 176 176 TYR HB3 H 1 3.218 0.040 . 2 . . . . 176 TYR HB3 . 7359 1 1791 . 1 1 176 176 TYR CA C 13 57.781 0.400 . 1 . . . . 176 TYR CA . 7359 1 1792 . 1 1 176 176 TYR CB C 13 35.745 0.400 . 1 . . . . 176 TYR CB . 7359 1 1793 . 1 1 176 176 TYR N N 15 121.674 0.400 . 1 . . . . 176 TYR N . 7359 1 1794 . 1 1 177 177 LEU H H 1 8.310 0.040 . 1 . . . . 177 LEU H . 7359 1 1795 . 1 1 177 177 LEU HA H 1 3.370 0.040 . 1 . . . . 177 LEU HA . 7359 1 1796 . 1 1 177 177 LEU HB2 H 1 1.949 0.040 . 2 . . . . 177 LEU HB2 . 7359 1 1797 . 1 1 177 177 LEU HB3 H 1 0.984 0.040 . 2 . . . . 177 LEU HB3 . 7359 1 1798 . 1 1 177 177 LEU HG H 1 1.821 0.040 . 1 . . . . 177 LEU HG . 7359 1 1799 . 1 1 177 177 LEU HD11 H 1 0.686 0.040 . 1 . . . . 177 LEU HD1 . 7359 1 1800 . 1 1 177 177 LEU HD12 H 1 0.686 0.040 . 1 . . . . 177 LEU HD1 . 7359 1 1801 . 1 1 177 177 LEU HD13 H 1 0.686 0.040 . 1 . . . . 177 LEU HD1 . 7359 1 1802 . 1 1 177 177 LEU HD21 H 1 -0.259 0.040 . 1 . . . . 177 LEU HD2 . 7359 1 1803 . 1 1 177 177 LEU HD22 H 1 -0.259 0.040 . 1 . . . . 177 LEU HD2 . 7359 1 1804 . 1 1 177 177 LEU HD23 H 1 -0.259 0.040 . 1 . . . . 177 LEU HD2 . 7359 1 1805 . 1 1 177 177 LEU CA C 13 54.521 0.400 . 1 . . . . 177 LEU CA . 7359 1 1806 . 1 1 177 177 LEU CB C 13 38.883 0.400 . 1 . . . . 177 LEU CB . 7359 1 1807 . 1 1 177 177 LEU CG C 13 23.299 0.400 . 1 . . . . 177 LEU CG . 7359 1 1808 . 1 1 177 177 LEU CD1 C 13 24.433 0.400 . 1 . . . . 177 LEU CD1 . 7359 1 1809 . 1 1 177 177 LEU CD2 C 13 24.89 0.400 . 1 . . . . 177 LEU CD2 . 7359 1 1810 . 1 1 177 177 LEU N N 15 121.575 0.400 . 1 . . . . 177 LEU N . 7359 1 1811 . 1 1 178 178 LEU H H 1 7.867 0.040 . 1 . . . . 178 LEU H . 7359 1 1812 . 1 1 178 178 LEU HA H 1 4.026 0.040 . 1 . . . . 178 LEU HA . 7359 1 1813 . 1 1 178 178 LEU HB2 H 1 2.140 0.040 . 2 . . . . 178 LEU HB2 . 7359 1 1814 . 1 1 178 178 LEU HB3 H 1 1.548 0.040 . 2 . . . . 178 LEU HB3 . 7359 1 1815 . 1 1 178 178 LEU HG H 1 1.900 0.040 . 1 . . . . 178 LEU HG . 7359 1 1816 . 1 1 178 178 LEU HD11 H 1 0.938 0.040 . 1 . . . . 178 LEU HD1 . 7359 1 1817 . 1 1 178 178 LEU HD12 H 1 0.938 0.040 . 1 . . . . 178 LEU HD1 . 7359 1 1818 . 1 1 178 178 LEU HD13 H 1 0.938 0.040 . 1 . . . . 178 LEU HD1 . 7359 1 1819 . 1 1 178 178 LEU HD21 H 1 1.010 0.040 . 1 . . . . 178 LEU HD2 . 7359 1 1820 . 1 1 178 178 LEU HD22 H 1 1.010 0.040 . 1 . . . . 178 LEU HD2 . 7359 1 1821 . 1 1 178 178 LEU HD23 H 1 1.010 0.040 . 1 . . . . 178 LEU HD2 . 7359 1 1822 . 1 1 178 178 LEU CA C 13 54.500 0.400 . 1 . . . . 178 LEU CA . 7359 1 1823 . 1 1 178 178 LEU CB C 13 40.502 0.400 . 1 . . . . 178 LEU CB . 7359 1 1824 . 1 1 178 178 LEU CG C 13 24.170 0.400 . 1 . . . . 178 LEU CG . 7359 1 1825 . 1 1 178 178 LEU CD1 C 13 24.124 0.400 . 1 . . . . 178 LEU CD1 . 7359 1 1826 . 1 1 178 178 LEU CD2 C 13 22.453 0.400 . 1 . . . . 178 LEU CD2 . 7359 1 1827 . 1 1 178 178 LEU N N 15 117.139 0.400 . 1 . . . . 178 LEU N . 7359 1 1828 . 1 1 179 179 THR H H 1 7.612 0.040 . 1 . . . . 179 THR H . 7359 1 1829 . 1 1 179 179 THR HA H 1 4.385 0.040 . 1 . . . . 179 THR HA . 7359 1 1830 . 1 1 179 179 THR HB H 1 4.508 0.040 . 1 . . . . 179 THR HB . 7359 1 1831 . 1 1 179 179 THR HG21 H 1 1.433 0.040 . 1 . . . . 179 THR HG2 . 7359 1 1832 . 1 1 179 179 THR HG22 H 1 1.433 0.040 . 1 . . . . 179 THR HG2 . 7359 1 1833 . 1 1 179 179 THR HG23 H 1 1.433 0.040 . 1 . . . . 179 THR HG2 . 7359 1 1834 . 1 1 179 179 THR CA C 13 59.179 0.400 . 1 . . . . 179 THR CA . 7359 1 1835 . 1 1 179 179 THR CB C 13 67.278 0.400 . 1 . . . . 179 THR CB . 7359 1 1836 . 1 1 179 179 THR CG2 C 13 18.974 0.400 . 1 . . . . 179 THR CG2 . 7359 1 1837 . 1 1 179 179 THR N N 15 107.762 0.400 . 1 . . . . 179 THR N . 7359 1 1838 . 1 1 180 180 LEU H H 1 7.262 0.040 . 1 . . . . 180 LEU H . 7359 1 1839 . 1 1 180 180 LEU HA H 1 4.283 0.040 . 1 . . . . 180 LEU HA . 7359 1 1840 . 1 1 180 180 LEU HB2 H 1 1.490 0.040 . 2 . . . . 180 LEU HB2 . 7359 1 1841 . 1 1 180 180 LEU HB3 H 1 1.373 0.040 . 2 . . . . 180 LEU HB3 . 7359 1 1842 . 1 1 180 180 LEU HG H 1 1.231 0.040 . 1 . . . . 180 LEU HG . 7359 1 1843 . 1 1 180 180 LEU HD11 H 1 0.300 0.040 . 2 . . . . 180 LEU HD1 . 7359 1 1844 . 1 1 180 180 LEU HD12 H 1 0.300 0.040 . 2 . . . . 180 LEU HD1 . 7359 1 1845 . 1 1 180 180 LEU HD13 H 1 0.300 0.040 . 2 . . . . 180 LEU HD1 . 7359 1 1846 . 1 1 180 180 LEU HD21 H 1 0.521 0.040 . 2 . . . . 180 LEU HD2 . 7359 1 1847 . 1 1 180 180 LEU HD22 H 1 0.521 0.040 . 2 . . . . 180 LEU HD2 . 7359 1 1848 . 1 1 180 180 LEU HD23 H 1 0.521 0.040 . 2 . . . . 180 LEU HD2 . 7359 1 1849 . 1 1 180 180 LEU CA C 13 52.683 0.400 . 1 . . . . 180 LEU CA . 7359 1 1850 . 1 1 180 180 LEU CB C 13 38.601 0.400 . 1 . . . . 180 LEU CB . 7359 1 1851 . 1 1 180 180 LEU CG C 13 23.338 0.400 . 1 . . . . 180 LEU CG . 7359 1 1852 . 1 1 180 180 LEU CD1 C 13 22.060 0.400 . 1 . . . . 180 LEU CD1 . 7359 1 1853 . 1 1 180 180 LEU CD2 C 13 19.782 0.400 . 1 . . . . 180 LEU CD2 . 7359 1 1854 . 1 1 180 180 LEU N N 15 124.672 0.400 . 1 . . . . 180 LEU N . 7359 1 1855 . 1 1 181 181 LYS H H 1 7.889 0.040 . 1 . . . . 181 LYS H . 7359 1 1856 . 1 1 181 181 LYS HA H 1 4.473 0.040 . 1 . . . . 181 LYS HA . 7359 1 1857 . 1 1 181 181 LYS HB2 H 1 2.044 0.040 . 2 . . . . 181 LYS HB2 . 7359 1 1858 . 1 1 181 181 LYS HB3 H 1 1.843 0.040 . 2 . . . . 181 LYS HB3 . 7359 1 1859 . 1 1 181 181 LYS HE2 H 1 3.170 0.040 . 1 . . . . 181 LYS HE2 . 7359 1 1860 . 1 1 181 181 LYS HE3 H 1 3.170 0.040 . 1 . . . . 181 LYS HE3 . 7359 1 1861 . 1 1 181 181 LYS CA C 13 54.434 0.400 . 1 . . . . 181 LYS CA . 7359 1 1862 . 1 1 181 181 LYS CB C 13 31.501 0.400 . 1 . . . . 181 LYS CB . 7359 1 1863 . 1 1 181 181 LYS CG C 13 22.101 0.400 . 1 . . . . 181 LYS CG . 7359 1 1864 . 1 1 181 181 LYS CE C 13 39.761 0.400 . 1 . . . . 181 LYS CE . 7359 1 1865 . 1 1 181 181 LYS N N 15 127.311 0.400 . 1 . . . . 181 LYS N . 7359 1 stop_ save_