data_6362 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6362 _Entry.Title ; Solution structure of Iron-Sulfur cluster assembly protein IscU from Bacillus subtilis, with Zinc bound at the active site. Northeast Structural Genomics Consortium Target SR17 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-27 _Entry.Accession_date 2004-10-27 _Entry.Last_release_date 2005-11-07 _Entry.Original_release_date 2005-11-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 G. Kornhaber . J. . 6362 2 G. Swapna . V. . 6362 3 T. Ramelot . A. . 6362 4 J. Cort . R. . 6362 5 M. Kennedy . A. . 6362 6 G. Montelione . T. . 6362 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6362 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 305 6362 '13C chemical shifts' 316 6362 '15N chemical shifts' 144 6362 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-11-07 2004-10-27 original author . 6362 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6362 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15522305 _Citation.Full_citation . _Citation.Title ; Solution NMR structure of the iron-sulfur cluster assembly protein U (IscU) with zinc bound at the active site ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 344 _Citation.Journal_issue 2 _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 567 _Citation.Page_last 583 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Ramelot . A. . 6362 1 2 J. Cort . R. . 6362 1 3 S. Goldsmith-Fischman . . . 6362 1 4 G. Kornhaber . J. . 6362 1 5 R. Xiao . . . 6362 1 6 R. Shastry . . . 6362 1 7 T. Acton . B. . 6362 1 8 B. Honig . . . 6362 1 9 G. Montelione . T. . 6362 1 10 M. Kennedy . A. . 6362 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID SR17 6362 1 'NMR Structure' 6362 1 Autostructure 6362 1 Iron-Sulfur 6362 1 Zinc 6362 1 'Northeast Structural Genomics Consortium' 6362 1 NESG 6362 1 NIFU-LIKE 6362 1 'Protein Structure Initiative' 6362 1 'Structural Genomics' 6362 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NifU-like_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NifU-like_protein _Assembly.Entry_ID 6362 _Assembly.ID 1 _Assembly.Name 'NifU-like protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6362 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 'NifU-like protein' 1 $NifU-like_protein . . . native . . . . . 6362 1 2 'ZINC ION' 2 $ZN . . . native . . . . . 6362 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 coordination single . 1 . 1 CYS 41 41 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6362 1 2 coordination single . 1 . 1 CYS 66 66 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6362 1 3 coordination single . 1 . 1 CYS 128 128 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6362 1 4 coordination single . 1 . 1 ASP 43 43 OD1 . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6362 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'NifU-like protein' system 6362 1 'NifU-like protein' abbreviation 6362 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NifU-like_protein _Entity.Sf_category entity _Entity.Sf_framecode NifU-like_protein _Entity.Entry_ID 6362 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'NifU-like protein' _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 ; MSFNANLDTLYRQVIMDHYK NPRNKGVLNDSIVVDMNNPT CGDRIRLTMKLDGDIVEDAK FEGEGCSISMASASMMTQAI KGKDIETALSMSKIFSDMMQ GKEYDDSIDLGDIEALQGVS KFPARIKCATLSWKALEKGV AKEEGGN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1XJS . "Solution Structure Of Iron-Sulfur Cluster Assembly Protein Iscu From Bacillus Subtilis, With Zinc Bound At The Active Site. Nor" . . . . . 100.00 147 100.00 100.00 6.40e-103 . . . . 6362 1 2 no PDB 2AZH . "Solution Structure Of Iron-Sulfur Cluster Assembly Protein Sufu From Bacillus Subtilis, With Zinc Bound At The Active Site. Nor" . . . . . 100.00 147 100.00 100.00 6.40e-103 . . . . 6362 1 3 no DBJ BAI86813 . "hypothetical protein BSNT_09755 [Bacillus subtilis subsp. natto BEST195]" . . . . . 89.80 132 99.24 100.00 3.47e-90 . . . . 6362 1 4 no DBJ BAM55339 . "iron-sulfur cluster assembly scaffold protein [Bacillus subtilis BEST7613]" . . . . . 100.00 147 100.00 100.00 6.40e-103 . . . . 6362 1 5 no DBJ BAM59352 . "iron-sulfur cluster assembly scaffold protein [Bacillus subtilis BEST7003]" . . . . . 100.00 147 100.00 100.00 6.40e-103 . . . . 6362 1 6 no DBJ GAK81939 . "iron-sulfur cluster assembly scaffold protein [Bacillus subtilis Miyagi-4]" . . . . . 100.00 147 99.32 100.00 1.93e-102 . . . . 6362 1 7 no EMBL CAB15257 . "iron-sulfur cluster assembly scaffold protein [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 147 100.00 100.00 6.40e-103 . . . . 6362 1 8 no EMBL CCU60313 . "Putative iron-sulfur cluster assembly scaffold protein for SUF system, SufE2 [Bacillus subtilis E1]" . . . . . 100.00 147 100.00 100.00 6.40e-103 . . . . 6362 1 9 no EMBL CEI58518 . "NifU-like protein [Bacillus subtilis]" . . . . . 100.00 147 100.00 100.00 6.40e-103 . . . . 6362 1 10 no EMBL CEJ78923 . "NifU-like protein [Bacillus sp.]" . . . . . 100.00 147 100.00 100.00 6.40e-103 . . . . 6362 1 11 no GB ADM39228 . "iron-sulfur cluster assembly scaffold protein [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 100.00 147 100.00 100.00 6.40e-103 . . . . 6362 1 12 no GB ADV94073 . "iron-sulfur cluster assembly scaffold protein [Bacillus subtilis BSn5]" . . . . . 100.00 147 100.00 100.00 6.40e-103 . . . . 6362 1 13 no GB AEP88144 . "SUF system FeS assembly protein, NifU family [Bacillus subtilis subsp. spizizenii TU-B-10]" . . . . . 100.00 147 100.00 100.00 6.40e-103 . . . . 6362 1 14 no GB AEP92288 . "SUF system FeS assembly protein, NifU family [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 100.00 147 100.00 100.00 6.40e-103 . . . . 6362 1 15 no GB AFI29836 . "iron-sulfur cluster assembly scaffold protein [Bacillus sp. JS]" . . . . . 100.00 147 100.00 100.00 6.40e-103 . . . . 6362 1 16 no REF NP_391147 . "NifU-like protein [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 147 100.00 100.00 6.40e-103 . . . . 6362 1 17 no REF WP_003222809 . "MULTISPECIES: Fe-S assembly protein NifU [Bacillales]" . . . . . 100.00 147 100.00 100.00 6.40e-103 . . . . 6362 1 18 no REF WP_003228606 . "Fe-S assembly protein NifU [Bacillus subtilis]" . . . . . 89.80 132 100.00 100.00 1.16e-90 . . . . 6362 1 19 no REF WP_010329998 . "Fe-S assembly protein NifU [Bacillus vallismortis]" . . . . . 100.00 147 98.64 98.64 1.64e-101 . . . . 6362 1 20 no REF WP_014480785 . "hypothetical protein [Bacillus subtilis]" . . . . . 100.00 147 99.32 100.00 1.93e-102 . . . . 6362 1 21 no SP O32163 . "RecName: Full=Zinc-dependent sulfurtransferase SufU; AltName: Full=Putative iron-sulfur cluster assembly scaffold protein SufU;" . . . . . 100.00 147 100.00 100.00 6.40e-103 . . . . 6362 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'NifU-like protein' common 6362 1 'NifU-like protein' abbreviation 6362 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6362 1 2 . SER . 6362 1 3 . PHE . 6362 1 4 . ASN . 6362 1 5 . ALA . 6362 1 6 . ASN . 6362 1 7 . LEU . 6362 1 8 . ASP . 6362 1 9 . THR . 6362 1 10 . LEU . 6362 1 11 . TYR . 6362 1 12 . ARG . 6362 1 13 . GLN . 6362 1 14 . VAL . 6362 1 15 . ILE . 6362 1 16 . MET . 6362 1 17 . ASP . 6362 1 18 . HIS . 6362 1 19 . TYR . 6362 1 20 . LYS . 6362 1 21 . ASN . 6362 1 22 . PRO . 6362 1 23 . ARG . 6362 1 24 . ASN . 6362 1 25 . LYS . 6362 1 26 . GLY . 6362 1 27 . VAL . 6362 1 28 . LEU . 6362 1 29 . ASN . 6362 1 30 . ASP . 6362 1 31 . SER . 6362 1 32 . ILE . 6362 1 33 . VAL . 6362 1 34 . VAL . 6362 1 35 . ASP . 6362 1 36 . MET . 6362 1 37 . ASN . 6362 1 38 . ASN . 6362 1 39 . PRO . 6362 1 40 . THR . 6362 1 41 . CYS . 6362 1 42 . GLY . 6362 1 43 . ASP . 6362 1 44 . ARG . 6362 1 45 . ILE . 6362 1 46 . ARG . 6362 1 47 . LEU . 6362 1 48 . THR . 6362 1 49 . MET . 6362 1 50 . LYS . 6362 1 51 . LEU . 6362 1 52 . ASP . 6362 1 53 . GLY . 6362 1 54 . ASP . 6362 1 55 . ILE . 6362 1 56 . VAL . 6362 1 57 . GLU . 6362 1 58 . ASP . 6362 1 59 . ALA . 6362 1 60 . LYS . 6362 1 61 . PHE . 6362 1 62 . GLU . 6362 1 63 . GLY . 6362 1 64 . GLU . 6362 1 65 . GLY . 6362 1 66 . CYS . 6362 1 67 . SER . 6362 1 68 . ILE . 6362 1 69 . SER . 6362 1 70 . MET . 6362 1 71 . ALA . 6362 1 72 . SER . 6362 1 73 . ALA . 6362 1 74 . SER . 6362 1 75 . MET . 6362 1 76 . MET . 6362 1 77 . THR . 6362 1 78 . GLN . 6362 1 79 . ALA . 6362 1 80 . ILE . 6362 1 81 . LYS . 6362 1 82 . GLY . 6362 1 83 . LYS . 6362 1 84 . ASP . 6362 1 85 . ILE . 6362 1 86 . GLU . 6362 1 87 . THR . 6362 1 88 . ALA . 6362 1 89 . LEU . 6362 1 90 . SER . 6362 1 91 . MET . 6362 1 92 . SER . 6362 1 93 . LYS . 6362 1 94 . ILE . 6362 1 95 . PHE . 6362 1 96 . SER . 6362 1 97 . ASP . 6362 1 98 . MET . 6362 1 99 . MET . 6362 1 100 . GLN . 6362 1 101 . GLY . 6362 1 102 . LYS . 6362 1 103 . GLU . 6362 1 104 . TYR . 6362 1 105 . ASP . 6362 1 106 . ASP . 6362 1 107 . SER . 6362 1 108 . ILE . 6362 1 109 . ASP . 6362 1 110 . LEU . 6362 1 111 . GLY . 6362 1 112 . ASP . 6362 1 113 . ILE . 6362 1 114 . GLU . 6362 1 115 . ALA . 6362 1 116 . LEU . 6362 1 117 . GLN . 6362 1 118 . GLY . 6362 1 119 . VAL . 6362 1 120 . SER . 6362 1 121 . LYS . 6362 1 122 . PHE . 6362 1 123 . PRO . 6362 1 124 . ALA . 6362 1 125 . ARG . 6362 1 126 . ILE . 6362 1 127 . LYS . 6362 1 128 . CYS . 6362 1 129 . ALA . 6362 1 130 . THR . 6362 1 131 . LEU . 6362 1 132 . SER . 6362 1 133 . TRP . 6362 1 134 . LYS . 6362 1 135 . ALA . 6362 1 136 . LEU . 6362 1 137 . GLU . 6362 1 138 . LYS . 6362 1 139 . GLY . 6362 1 140 . VAL . 6362 1 141 . ALA . 6362 1 142 . LYS . 6362 1 143 . GLU . 6362 1 144 . GLU . 6362 1 145 . GLY . 6362 1 146 . GLY . 6362 1 147 . ASN . 6362 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6362 1 . SER 2 2 6362 1 . PHE 3 3 6362 1 . ASN 4 4 6362 1 . ALA 5 5 6362 1 . ASN 6 6 6362 1 . LEU 7 7 6362 1 . ASP 8 8 6362 1 . THR 9 9 6362 1 . LEU 10 10 6362 1 . TYR 11 11 6362 1 . ARG 12 12 6362 1 . GLN 13 13 6362 1 . VAL 14 14 6362 1 . ILE 15 15 6362 1 . MET 16 16 6362 1 . ASP 17 17 6362 1 . HIS 18 18 6362 1 . TYR 19 19 6362 1 . LYS 20 20 6362 1 . ASN 21 21 6362 1 . PRO 22 22 6362 1 . ARG 23 23 6362 1 . ASN 24 24 6362 1 . LYS 25 25 6362 1 . GLY 26 26 6362 1 . VAL 27 27 6362 1 . LEU 28 28 6362 1 . ASN 29 29 6362 1 . ASP 30 30 6362 1 . SER 31 31 6362 1 . ILE 32 32 6362 1 . VAL 33 33 6362 1 . VAL 34 34 6362 1 . ASP 35 35 6362 1 . MET 36 36 6362 1 . ASN 37 37 6362 1 . ASN 38 38 6362 1 . PRO 39 39 6362 1 . THR 40 40 6362 1 . CYS 41 41 6362 1 . GLY 42 42 6362 1 . ASP 43 43 6362 1 . ARG 44 44 6362 1 . ILE 45 45 6362 1 . ARG 46 46 6362 1 . LEU 47 47 6362 1 . THR 48 48 6362 1 . MET 49 49 6362 1 . LYS 50 50 6362 1 . LEU 51 51 6362 1 . ASP 52 52 6362 1 . GLY 53 53 6362 1 . ASP 54 54 6362 1 . ILE 55 55 6362 1 . VAL 56 56 6362 1 . GLU 57 57 6362 1 . ASP 58 58 6362 1 . ALA 59 59 6362 1 . LYS 60 60 6362 1 . PHE 61 61 6362 1 . GLU 62 62 6362 1 . GLY 63 63 6362 1 . GLU 64 64 6362 1 . GLY 65 65 6362 1 . CYS 66 66 6362 1 . SER 67 67 6362 1 . ILE 68 68 6362 1 . SER 69 69 6362 1 . MET 70 70 6362 1 . ALA 71 71 6362 1 . SER 72 72 6362 1 . ALA 73 73 6362 1 . SER 74 74 6362 1 . MET 75 75 6362 1 . MET 76 76 6362 1 . THR 77 77 6362 1 . GLN 78 78 6362 1 . ALA 79 79 6362 1 . ILE 80 80 6362 1 . LYS 81 81 6362 1 . GLY 82 82 6362 1 . LYS 83 83 6362 1 . ASP 84 84 6362 1 . ILE 85 85 6362 1 . GLU 86 86 6362 1 . THR 87 87 6362 1 . ALA 88 88 6362 1 . LEU 89 89 6362 1 . SER 90 90 6362 1 . MET 91 91 6362 1 . SER 92 92 6362 1 . LYS 93 93 6362 1 . ILE 94 94 6362 1 . PHE 95 95 6362 1 . SER 96 96 6362 1 . ASP 97 97 6362 1 . MET 98 98 6362 1 . MET 99 99 6362 1 . GLN 100 100 6362 1 . GLY 101 101 6362 1 . LYS 102 102 6362 1 . GLU 103 103 6362 1 . TYR 104 104 6362 1 . ASP 105 105 6362 1 . ASP 106 106 6362 1 . SER 107 107 6362 1 . ILE 108 108 6362 1 . ASP 109 109 6362 1 . LEU 110 110 6362 1 . GLY 111 111 6362 1 . ASP 112 112 6362 1 . ILE 113 113 6362 1 . GLU 114 114 6362 1 . ALA 115 115 6362 1 . LEU 116 116 6362 1 . GLN 117 117 6362 1 . GLY 118 118 6362 1 . VAL 119 119 6362 1 . SER 120 120 6362 1 . LYS 121 121 6362 1 . PHE 122 122 6362 1 . PRO 123 123 6362 1 . ALA 124 124 6362 1 . ARG 125 125 6362 1 . ILE 126 126 6362 1 . LYS 127 127 6362 1 . CYS 128 128 6362 1 . ALA 129 129 6362 1 . THR 130 130 6362 1 . LEU 131 131 6362 1 . SER 132 132 6362 1 . TRP 133 133 6362 1 . LYS 134 134 6362 1 . ALA 135 135 6362 1 . LEU 136 136 6362 1 . GLU 137 137 6362 1 . LYS 138 138 6362 1 . GLY 139 139 6362 1 . VAL 140 140 6362 1 . ALA 141 141 6362 1 . LYS 142 142 6362 1 . GLU 143 143 6362 1 . GLU 144 144 6362 1 . GLY 145 145 6362 1 . GLY 146 146 6362 1 . ASN 147 147 6362 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6362 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 6362 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6362 _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 $NifU-like_protein . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 6362 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 6362 _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 $NifU-like_protein . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6362 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 6362 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:23:33 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Zn+2] SMILES ACDLabs 10.04 6362 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6362 ZN [Zn++] SMILES CACTVS 3.341 6362 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6362 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6362 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 6362 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6362 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 6362 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6362 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6362 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6362 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NifU-like protein' '[U-13C; U-15N; U-2H; NA-V,L,I-methyl]' . . 1 $NifU-like_protein . . 0.7 . . mM . . . . 6362 1 2 'Potassium Phosphate' . . . . . . . 100 . . mM . . . . 6362 1 3 Glycerol . . . . . . . 200 . . mM . . . . 6362 1 4 DTT . . . . . . . 1 . . mM . . . . 6362 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 6362 1 6 D2O . . . . . . . 5 . . % . . . . 6362 1 7 H2O . . . . . . . 95 . . % . . . . 6362 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6362 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NifU-like protein' '[U-13C; NA-Y,F; U-15N; U-2H; NA-Y,F]' . . 1 $NifU-like_protein . . 0.4 . . mM . . . . 6362 2 2 'Sodium Phosphate' . . . . . . . 20 . . mM . . . . 6362 2 3 'Sodium Chloride' . . . . . . . 50 . . mM . . . . 6362 2 4 DTT . . . . . . . 10 . . mM . . . . 6362 2 5 NaN3 . . . . . . . 0.02 . . % . . . . 6362 2 6 D2O . . . . . . . 5 . . % . . . . 6362 2 7 H2O . . . . . . . 95 . . % . . . . 6362 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6362 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . na 6362 1 temperature 293 . K 6362 1 'ionic strength' 100 . mM 6362 1 pressure 1 . atm 6362 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 6362 _Software.ID 1 _Software.Name AutoAssign _Software.Version 1.9 _Software.Details 'Zimmerman, Moseley and Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6362 1 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 6362 _Software.ID 2 _Software.Name AutoStructure _Software.Version 2.0.0 _Software.Details 'Huang and Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6362 2 stop_ save_ save_Talos _Software.Sf_category software _Software.Sf_framecode Talos _Software.Entry_ID 6362 _Software.ID 3 _Software.Name Talos _Software.Version 2.1 _Software.Details 'Cornilescu, Delaglio and Bax' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6362 3 stop_ save_ save_Hyper_&_PDBstat _Software.Sf_category software _Software.Sf_framecode Hyper_&_PDBstat _Software.Entry_ID 6362 _Software.ID 4 _Software.Name 'Hyper & PDBstat' _Software.Version '3.2 and 3.32' _Software.Details 'Tejero and Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6362 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6362 _Software.ID 5 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details 'Delaglio et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6362 5 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 6362 _Software.ID 6 _Software.Name X-PLOR _Software.Version 2.0.6 _Software.Details 'Schwieters, et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6362 6 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6362 _Software.ID 7 _Software.Name CNS _Software.Version 1.0 _Software.Details 'Brunger, et al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6362 7 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6362 _Software.ID 8 _Software.Name Sparky _Software.Version 3.106 _Software.Details Goddard loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6362 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6362 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6362 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 6362 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6362 _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 3D-TOCSYS . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6362 1 2 13C,1H-HSQC . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6362 1 3 15N,1H-HSQC . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6362 1 4 '2D Homonuclear NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6362 1 5 '4D 13C-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6362 1 6 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6362 1 7 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6362 1 8 'H/D exchange' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6362 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6362 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 3D-TOCSYS _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6362 _NMR_spec_expt.ID 2 _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6362 _NMR_spec_expt.ID 3 _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6362 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D Homonuclear NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6362 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '4D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6362 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6362 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6362 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'H/D exchange' _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6362 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 6362 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6362 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6362 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6362 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D-TOCSYS . . . 6362 1 2 13C,1H-HSQC . . . 6362 1 3 15N,1H-HSQC . . . 6362 1 4 '2D Homonuclear NOESY' . . . 6362 1 5 '4D 13C-separated NOESY' . . . 6362 1 6 '3D 13C-separated NOESY' . . . 6362 1 7 '3D 15N-separated NOESY' . . . 6362 1 8 'H/D exchange' . . . 6362 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 4 4 ASN H H 1 8.438 . . 1 . . . . . . . . 6362 1 2 . 1 1 4 4 ASN N N 15 122.533 . . 1 . . . . . . . . 6362 1 3 . 1 1 4 4 ASN CA C 13 52.6183 . . 1 . . . . . . . . 6362 1 4 . 1 1 4 4 ASN CB C 13 38.8583 . . 1 . . . . . . . . 6362 1 5 . 1 1 5 5 ALA H H 1 8.421 . . 1 . . . . . . . . 6362 1 6 . 1 1 5 5 ALA N N 15 125.409 . . 1 . . . . . . . . 6362 1 7 . 1 1 5 5 ALA CA C 13 53.3843 . . 1 . . . . . . . . 6362 1 8 . 1 1 5 5 ALA CB C 13 18.6063 . . 1 . . . . . . . . 6362 1 9 . 1 1 6 6 ASN H H 1 8.315 . . 1 . . . . . . . . 6362 1 10 . 1 1 6 6 ASN HD21 H 1 7.681 . . 2 . . . . . . . . 6362 1 11 . 1 1 6 6 ASN HD22 H 1 6.945 . . 2 . . . . . . . . 6362 1 12 . 1 1 6 6 ASN N N 15 116.061 . . 1 . . . . . . . . 6362 1 13 . 1 1 6 6 ASN ND2 N 15 113.640 . . 1 . . . . . . . . 6362 1 14 . 1 1 6 6 ASN CA C 13 53.8693 . . 1 . . . . . . . . 6362 1 15 . 1 1 6 6 ASN CB C 13 38.4373 . . 1 . . . . . . . . 6362 1 16 . 1 1 7 7 LEU H H 1 7.852 . . 1 . . . . . . . . 6362 1 17 . 1 1 7 7 LEU HD11 H 1 0.830 . . 2 . . . . . . . . 6362 1 18 . 1 1 7 7 LEU HD12 H 1 0.830 . . 2 . . . . . . . . 6362 1 19 . 1 1 7 7 LEU HD13 H 1 0.830 . . 2 . . . . . . . . 6362 1 20 . 1 1 7 7 LEU HD21 H 1 0.738 . . 2 . . . . . . . . 6362 1 21 . 1 1 7 7 LEU HD22 H 1 0.738 . . 2 . . . . . . . . 6362 1 22 . 1 1 7 7 LEU HD23 H 1 0.738 . . 2 . . . . . . . . 6362 1 23 . 1 1 7 7 LEU CD1 C 13 24.857 . . 2 . . . . . . . . 6362 1 24 . 1 1 7 7 LEU CD2 C 13 23.096 . . 2 . . . . . . . . 6362 1 25 . 1 1 7 7 LEU N N 15 121.546 . . 1 . . . . . . . . 6362 1 26 . 1 1 7 7 LEU CA C 13 55.4193 . . 1 . . . . . . . . 6362 1 27 . 1 1 7 7 LEU CB C 13 41.1343 . . 1 . . . . . . . . 6362 1 28 . 1 1 8 8 ASP H H 1 7.971 . . 1 . . . . . . . . 6362 1 29 . 1 1 8 8 ASP N N 15 118.773 . . 1 . . . . . . . . 6362 1 30 . 1 1 8 8 ASP CA C 13 57.4773 . . 1 . . . . . . . . 6362 1 31 . 1 1 8 8 ASP CB C 13 41.1353 . . 1 . . . . . . . . 6362 1 32 . 1 1 9 9 THR H H 1 8.088 . . 1 . . . . . . . . 6362 1 33 . 1 1 9 9 THR N N 15 113.931 . . 1 . . . . . . . . 6362 1 34 . 1 1 9 9 THR CA C 13 65.5883 . . 1 . . . . . . . . 6362 1 35 . 1 1 9 9 THR CB C 13 68.1383 . . 1 . . . . . . . . 6362 1 36 . 1 1 10 10 LEU H H 1 7.709 . . 1 . . . . . . . . 6362 1 37 . 1 1 10 10 LEU HD11 H 1 0.861 . . 2 . . . . . . . . 6362 1 38 . 1 1 10 10 LEU HD12 H 1 0.861 . . 2 . . . . . . . . 6362 1 39 . 1 1 10 10 LEU HD13 H 1 0.861 . . 2 . . . . . . . . 6362 1 40 . 1 1 10 10 LEU CD1 C 13 24.356 . . 2 . . . . . . . . 6362 1 41 . 1 1 10 10 LEU N N 15 123.725 . . 1 . . . . . . . . 6362 1 42 . 1 1 10 10 LEU CA C 13 57.6073 . . 1 . . . . . . . . 6362 1 43 . 1 1 10 10 LEU CB C 13 41.3193 . . 1 . . . . . . . . 6362 1 44 . 1 1 11 11 TYR H H 1 8.550 . . 1 . . . . . . . . 6362 1 45 . 1 1 11 11 TYR HB2 H 1 3.301 . . 2 . . . . . . . . 6362 1 46 . 1 1 11 11 TYR HB3 H 1 3.617 . . 2 . . . . . . . . 6362 1 47 . 1 1 11 11 TYR HD1 H 1 7.083 . . 2 . . . . . . . . 6362 1 48 . 1 1 11 11 TYR HE1 H 1 6.761 . . 2 . . . . . . . . 6362 1 49 . 1 1 11 11 TYR N N 15 118.559 . . 1 . . . . . . . . 6362 1 50 . 1 1 11 11 TYR CA C 13 57.9283 . . 1 . . . . . . . . 6362 1 51 . 1 1 11 11 TYR CB C 13 35.6383 . . 1 . . . . . . . . 6362 1 52 . 1 1 12 12 ARG H H 1 8.151 . . 1 . . . . . . . . 6362 1 53 . 1 1 12 12 ARG N N 15 117.970 . . 1 . . . . . . . . 6362 1 54 . 1 1 12 12 ARG CA C 13 59.6583 . . 1 . . . . . . . . 6362 1 55 . 1 1 12 12 ARG CB C 13 29.5083 . . 1 . . . . . . . . 6362 1 56 . 1 1 13 13 GLN H H 1 7.904 . . 1 . . . . . . . . 6362 1 57 . 1 1 13 13 GLN N N 15 118.702 . . 1 . . . . . . . . 6362 1 58 . 1 1 13 13 GLN CA C 13 58.9383 . . 1 . . . . . . . . 6362 1 59 . 1 1 13 13 GLN CB C 13 28.0583 . . 1 . . . . . . . . 6362 1 60 . 1 1 14 14 VAL H H 1 8.178 . . 1 . . . . . . . . 6362 1 61 . 1 1 14 14 VAL HG11 H 1 1.248 . . 2 . . . . . . . . 6362 1 62 . 1 1 14 14 VAL HG12 H 1 1.248 . . 2 . . . . . . . . 6362 1 63 . 1 1 14 14 VAL HG13 H 1 1.248 . . 2 . . . . . . . . 6362 1 64 . 1 1 14 14 VAL HG21 H 1 1.130 . . 2 . . . . . . . . 6362 1 65 . 1 1 14 14 VAL HG22 H 1 1.130 . . 2 . . . . . . . . 6362 1 66 . 1 1 14 14 VAL HG23 H 1 1.130 . . 2 . . . . . . . . 6362 1 67 . 1 1 14 14 VAL CG1 C 13 22.165 . . 2 . . . . . . . . 6362 1 68 . 1 1 14 14 VAL CG2 C 13 21.751 . . 2 . . . . . . . . 6362 1 69 . 1 1 14 14 VAL N N 15 122.733 . . 1 . . . . . . . . 6362 1 70 . 1 1 14 14 VAL CA C 13 66.0573 . . 1 . . . . . . . . 6362 1 71 . 1 1 14 14 VAL CB C 13 32.1773 . . 1 . . . . . . . . 6362 1 72 . 1 1 15 15 ILE H H 1 8.111 . . 1 . . . . . . . . 6362 1 73 . 1 1 15 15 ILE HD11 H 1 0.791 . . 1 . . . . . . . . 6362 1 74 . 1 1 15 15 ILE HD12 H 1 0.791 . . 1 . . . . . . . . 6362 1 75 . 1 1 15 15 ILE HD13 H 1 0.791 . . 1 . . . . . . . . 6362 1 76 . 1 1 15 15 ILE CD1 C 13 13.494 . . 1 . . . . . . . . 6362 1 77 . 1 1 15 15 ILE N N 15 119.502 . . 1 . . . . . . . . 6362 1 78 . 1 1 15 15 ILE CA C 13 65.9383 . . 1 . . . . . . . . 6362 1 79 . 1 1 15 15 ILE CB C 13 37.6683 . . 1 . . . . . . . . 6362 1 80 . 1 1 16 16 MET H H 1 8.132 . . 1 . . . . . . . . 6362 1 81 . 1 1 16 16 MET N N 15 115.544 . . 1 . . . . . . . . 6362 1 82 . 1 1 16 16 MET CA C 13 57.3183 . . 1 . . . . . . . . 6362 1 83 . 1 1 16 16 MET CB C 13 30.7983 . . 1 . . . . . . . . 6362 1 84 . 1 1 17 17 ASP H H 1 8.333 . . 1 . . . . . . . . 6362 1 85 . 1 1 17 17 ASP N N 15 120.408 . . 1 . . . . . . . . 6362 1 86 . 1 1 17 17 ASP CA C 13 57.4683 . . 1 . . . . . . . . 6362 1 87 . 1 1 17 17 ASP CB C 13 41.5383 . . 1 . . . . . . . . 6362 1 88 . 1 1 18 18 HIS H H 1 7.933 . . 1 . . . . . . . . 6362 1 89 . 1 1 18 18 HIS HE1 H 1 10.259 . . 1 . . . . . . . . 6362 1 90 . 1 1 18 18 HIS N N 15 116.958 . . 1 . . . . . . . . 6362 1 91 . 1 1 18 18 HIS CA C 13 60.0783 . . 1 . . . . . . . . 6362 1 92 . 1 1 18 18 HIS CB C 13 32.2283 . . 1 . . . . . . . . 6362 1 93 . 1 1 19 19 TYR H H 1 8.472 . . 1 . . . . . . . . 6362 1 94 . 1 1 19 19 TYR HB2 H 1 3.220 . . 2 . . . . . . . . 6362 1 95 . 1 1 19 19 TYR HB3 H 1 3.275 . . 2 . . . . . . . . 6362 1 96 . 1 1 19 19 TYR HD1 H 1 7.174 . . 2 . . . . . . . . 6362 1 97 . 1 1 19 19 TYR HE1 H 1 6.860 . . 2 . . . . . . . . 6362 1 98 . 1 1 19 19 TYR N N 15 118.077 . . 1 . . . . . . . . 6362 1 99 . 1 1 19 19 TYR CA C 13 58.3883 . . 1 . . . . . . . . 6362 1 100 . 1 1 19 19 TYR CB C 13 38.5583 . . 1 . . . . . . . . 6362 1 101 . 1 1 20 20 LYS H H 1 8.630 . . 1 . . . . . . . . 6362 1 102 . 1 1 20 20 LYS N N 15 116.984 . . 1 . . . . . . . . 6362 1 103 . 1 1 20 20 LYS CA C 13 57.4453 . . 1 . . . . . . . . 6362 1 104 . 1 1 20 20 LYS CB C 13 32.6993 . . 1 . . . . . . . . 6362 1 105 . 1 1 21 21 ASN H H 1 8.150 . . 1 . . . . . . . . 6362 1 106 . 1 1 21 21 ASN HD21 H 1 7.705 . . 2 . . . . . . . . 6362 1 107 . 1 1 21 21 ASN HD22 H 1 6.907 . . 2 . . . . . . . . 6362 1 108 . 1 1 21 21 ASN N N 15 116.077 . . 1 . . . . . . . . 6362 1 109 . 1 1 21 21 ASN ND2 N 15 116.050 . . 1 . . . . . . . . 6362 1 110 . 1 1 21 21 ASN CA C 13 49.9813 . . 1 . . . . . . . . 6362 1 111 . 1 1 21 21 ASN CB C 13 38.8513 . . 1 . . . . . . . . 6362 1 112 . 1 1 22 22 PRO CA C 13 63.4083 . . 1 . . . . . . . . 6362 1 113 . 1 1 22 22 PRO CB C 13 31.4483 . . 1 . . . . . . . . 6362 1 114 . 1 1 23 23 ARG H H 1 9.827 . . 1 . . . . . . . . 6362 1 115 . 1 1 23 23 ARG N N 15 125.650 . . 1 . . . . . . . . 6362 1 116 . 1 1 23 23 ARG CA C 13 55.3083 . . 1 . . . . . . . . 6362 1 117 . 1 1 23 23 ARG CB C 13 31.0583 . . 1 . . . . . . . . 6362 1 118 . 1 1 24 24 ASN H H 1 8.386 . . 1 . . . . . . . . 6362 1 119 . 1 1 24 24 ASN HD21 H 1 7.508 . . 2 . . . . . . . . 6362 1 120 . 1 1 24 24 ASN HD22 H 1 6.867 . . 2 . . . . . . . . 6362 1 121 . 1 1 24 24 ASN N N 15 109.405 . . 1 . . . . . . . . 6362 1 122 . 1 1 24 24 ASN ND2 N 15 111.731 . . 1 . . . . . . . . 6362 1 123 . 1 1 24 24 ASN CA C 13 53.1943 . . 1 . . . . . . . . 6362 1 124 . 1 1 24 24 ASN CB C 13 36.8783 . . 1 . . . . . . . . 6362 1 125 . 1 1 25 25 LYS H H 1 8.161 . . 1 . . . . . . . . 6362 1 126 . 1 1 25 25 LYS N N 15 118.096 . . 1 . . . . . . . . 6362 1 127 . 1 1 25 25 LYS CA C 13 54.3903 . . 1 . . . . . . . . 6362 1 128 . 1 1 25 25 LYS CB C 13 32.2153 . . 1 . . . . . . . . 6362 1 129 . 1 1 26 26 GLY H H 1 8.691 . . 1 . . . . . . . . 6362 1 130 . 1 1 26 26 GLY N N 15 115.986 . . 1 . . . . . . . . 6362 1 131 . 1 1 26 26 GLY CA C 13 44.1833 . . 1 . . . . . . . . 6362 1 132 . 1 1 27 27 VAL H H 1 8.156 . . 1 . . . . . . . . 6362 1 133 . 1 1 27 27 VAL HG11 H 1 0.738 . . 2 . . . . . . . . 6362 1 134 . 1 1 27 27 VAL HG12 H 1 0.738 . . 2 . . . . . . . . 6362 1 135 . 1 1 27 27 VAL HG13 H 1 0.738 . . 2 . . . . . . . . 6362 1 136 . 1 1 27 27 VAL HG21 H 1 0.766 . . 2 . . . . . . . . 6362 1 137 . 1 1 27 27 VAL HG22 H 1 0.766 . . 2 . . . . . . . . 6362 1 138 . 1 1 27 27 VAL HG23 H 1 0.766 . . 2 . . . . . . . . 6362 1 139 . 1 1 27 27 VAL CG1 C 13 20.633 . . 2 . . . . . . . . 6362 1 140 . 1 1 27 27 VAL CG2 C 13 20.773 . . 2 . . . . . . . . 6362 1 141 . 1 1 27 27 VAL N N 15 117.827 . . 1 . . . . . . . . 6362 1 142 . 1 1 27 27 VAL CA C 13 60.6763 . . 1 . . . . . . . . 6362 1 143 . 1 1 27 27 VAL CB C 13 35.5033 . . 1 . . . . . . . . 6362 1 144 . 1 1 28 28 LEU H H 1 8.314 . . 1 . . . . . . . . 6362 1 145 . 1 1 28 28 LEU HD21 H 1 0.594 . . 2 . . . . . . . . 6362 1 146 . 1 1 28 28 LEU HD22 H 1 0.594 . . 2 . . . . . . . . 6362 1 147 . 1 1 28 28 LEU HD23 H 1 0.594 . . 2 . . . . . . . . 6362 1 148 . 1 1 28 28 LEU CD2 C 13 25.893 . . 2 . . . . . . . . 6362 1 149 . 1 1 28 28 LEU N N 15 127.667 . . 1 . . . . . . . . 6362 1 150 . 1 1 28 28 LEU CA C 13 53.4483 . . 1 . . . . . . . . 6362 1 151 . 1 1 28 28 LEU CB C 13 42.8183 . . 1 . . . . . . . . 6362 1 152 . 1 1 29 29 ASN H H 1 8.796 . . 1 . . . . . . . . 6362 1 153 . 1 1 29 29 ASN HD21 H 1 7.642 . . 2 . . . . . . . . 6362 1 154 . 1 1 29 29 ASN HD22 H 1 7.032 . . 2 . . . . . . . . 6362 1 155 . 1 1 29 29 ASN N N 15 122.373 . . 1 . . . . . . . . 6362 1 156 . 1 1 29 29 ASN ND2 N 15 113.550 . . 1 . . . . . . . . 6362 1 157 . 1 1 29 29 ASN CA C 13 52.5063 . . 1 . . . . . . . . 6362 1 158 . 1 1 29 29 ASN CB C 13 38.8653 . . 1 . . . . . . . . 6362 1 159 . 1 1 30 30 ASP H H 1 8.892 . . 1 . . . . . . . . 6362 1 160 . 1 1 30 30 ASP N N 15 119.722 . . 1 . . . . . . . . 6362 1 161 . 1 1 30 30 ASP CA C 13 54.9133 . . 1 . . . . . . . . 6362 1 162 . 1 1 30 30 ASP CB C 13 39.2713 . . 1 . . . . . . . . 6362 1 163 . 1 1 31 31 SER H H 1 7.792 . . 1 . . . . . . . . 6362 1 164 . 1 1 31 31 SER N N 15 111.753 . . 1 . . . . . . . . 6362 1 165 . 1 1 31 31 SER CA C 13 57.1563 . . 1 . . . . . . . . 6362 1 166 . 1 1 31 31 SER CB C 13 65.9913 . . 1 . . . . . . . . 6362 1 167 . 1 1 32 32 ILE H H 1 8.489 . . 1 . . . . . . . . 6362 1 168 . 1 1 32 32 ILE HD11 H 1 0.896 . . 1 . . . . . . . . 6362 1 169 . 1 1 32 32 ILE HD12 H 1 0.896 . . 1 . . . . . . . . 6362 1 170 . 1 1 32 32 ILE HD13 H 1 0.896 . . 1 . . . . . . . . 6362 1 171 . 1 1 32 32 ILE CD1 C 13 13.509 . . 1 . . . . . . . . 6362 1 172 . 1 1 32 32 ILE N N 15 121.891 . . 1 . . . . . . . . 6362 1 173 . 1 1 32 32 ILE CA C 13 62.1283 . . 1 . . . . . . . . 6362 1 174 . 1 1 32 32 ILE CB C 13 38.9063 . . 1 . . . . . . . . 6362 1 175 . 1 1 33 33 VAL H H 1 8.414 . . 1 . . . . . . . . 6362 1 176 . 1 1 33 33 VAL HG11 H 1 0.872 . . 2 . . . . . . . . 6362 1 177 . 1 1 33 33 VAL HG12 H 1 0.872 . . 2 . . . . . . . . 6362 1 178 . 1 1 33 33 VAL HG13 H 1 0.872 . . 2 . . . . . . . . 6362 1 179 . 1 1 33 33 VAL HG21 H 1 0.769 . . 2 . . . . . . . . 6362 1 180 . 1 1 33 33 VAL HG22 H 1 0.769 . . 2 . . . . . . . . 6362 1 181 . 1 1 33 33 VAL HG23 H 1 0.769 . . 2 . . . . . . . . 6362 1 182 . 1 1 33 33 VAL CG1 C 13 20.848 . . 2 . . . . . . . . 6362 1 183 . 1 1 33 33 VAL CG2 C 13 20.371 . . 2 . . . . . . . . 6362 1 184 . 1 1 33 33 VAL N N 15 127.136 . . 1 . . . . . . . . 6362 1 185 . 1 1 33 33 VAL CA C 13 60.5513 . . 1 . . . . . . . . 6362 1 186 . 1 1 33 33 VAL CB C 13 33.6803 . . 1 . . . . . . . . 6362 1 187 . 1 1 34 34 VAL H H 1 9.277 . . 1 . . . . . . . . 6362 1 188 . 1 1 34 34 VAL HG11 H 1 1.053 . . 2 . . . . . . . . 6362 1 189 . 1 1 34 34 VAL HG12 H 1 1.053 . . 2 . . . . . . . . 6362 1 190 . 1 1 34 34 VAL HG13 H 1 1.053 . . 2 . . . . . . . . 6362 1 191 . 1 1 34 34 VAL HG21 H 1 0.854 . . 2 . . . . . . . . 6362 1 192 . 1 1 34 34 VAL HG22 H 1 0.854 . . 2 . . . . . . . . 6362 1 193 . 1 1 34 34 VAL HG23 H 1 0.854 . . 2 . . . . . . . . 6362 1 194 . 1 1 34 34 VAL CG1 C 13 21.647 . . 2 . . . . . . . . 6362 1 195 . 1 1 34 34 VAL CG2 C 13 19.861 . . 2 . . . . . . . . 6362 1 196 . 1 1 34 34 VAL N N 15 127.519 . . 1 . . . . . . . . 6362 1 197 . 1 1 34 34 VAL CA C 13 61.3823 . . 1 . . . . . . . . 6362 1 198 . 1 1 34 34 VAL CB C 13 35.5663 . . 1 . . . . . . . . 6362 1 199 . 1 1 35 35 ASP H H 1 8.604 . . 1 . . . . . . . . 6362 1 200 . 1 1 35 35 ASP N N 15 127.259 . . 1 . . . . . . . . 6362 1 201 . 1 1 35 35 ASP CA C 13 53.2383 . . 1 . . . . . . . . 6362 1 202 . 1 1 35 35 ASP CB C 13 43.0083 . . 1 . . . . . . . . 6362 1 203 . 1 1 36 36 MET H H 1 9.026 . . 1 . . . . . . . . 6362 1 204 . 1 1 36 36 MET N N 15 121.659 . . 1 . . . . . . . . 6362 1 205 . 1 1 36 36 MET CA C 13 54.4483 . . 1 . . . . . . . . 6362 1 206 . 1 1 36 36 MET CB C 13 37.2553 . . 1 . . . . . . . . 6362 1 207 . 1 1 37 37 ASN H H 1 8.730 . . 1 . . . . . . . . 6362 1 208 . 1 1 37 37 ASN HD21 H 1 7.559 . . 2 . . . . . . . . 6362 1 209 . 1 1 37 37 ASN HD22 H 1 6.894 . . 2 . . . . . . . . 6362 1 210 . 1 1 37 37 ASN N N 15 119.388 . . 1 . . . . . . . . 6362 1 211 . 1 1 37 37 ASN ND2 N 15 113.298 . . 1 . . . . . . . . 6362 1 212 . 1 1 37 37 ASN CA C 13 52.0653 . . 1 . . . . . . . . 6362 1 213 . 1 1 37 37 ASN CB C 13 41.8463 . . 1 . . . . . . . . 6362 1 214 . 1 1 38 38 ASN H H 1 8.862 . . 1 . . . . . . . . 6362 1 215 . 1 1 38 38 ASN HD21 H 1 7.885 . . 2 . . . . . . . . 6362 1 216 . 1 1 38 38 ASN HD22 H 1 7.133 . . 2 . . . . . . . . 6362 1 217 . 1 1 38 38 ASN N N 15 116.075 . . 1 . . . . . . . . 6362 1 218 . 1 1 38 38 ASN ND2 N 15 112.179 . . 1 . . . . . . . . 6362 1 219 . 1 1 38 38 ASN CA C 13 51.9683 . . 1 . . . . . . . . 6362 1 220 . 1 1 38 38 ASN CB C 13 40.5833 . . 1 . . . . . . . . 6362 1 221 . 1 1 40 40 THR CA C 13 64.9883 . . 1 . . . . . . . . 6362 1 222 . 1 1 40 40 THR CB C 13 68.0443 . . 1 . . . . . . . . 6362 1 223 . 1 1 41 41 CYS H H 1 6.651 . . 1 . . . . . . . . 6362 1 224 . 1 1 41 41 CYS N N 15 120.287 . . 1 . . . . . . . . 6362 1 225 . 1 1 41 41 CYS CA C 13 59.9123 . . 1 . . . . . . . . 6362 1 226 . 1 1 41 41 CYS CB C 13 32.1903 . . 1 . . . . . . . . 6362 1 227 . 1 1 42 42 GLY H H 1 8.110 . . 1 . . . . . . . . 6362 1 228 . 1 1 42 42 GLY N N 15 103.995 . . 1 . . . . . . . . 6362 1 229 . 1 1 42 42 GLY CA C 13 44.4293 . . 1 . . . . . . . . 6362 1 230 . 1 1 43 43 ASP H H 1 6.978 . . 1 . . . . . . . . 6362 1 231 . 1 1 43 43 ASP N N 15 119.136 . . 1 . . . . . . . . 6362 1 232 . 1 1 43 43 ASP CA C 13 53.8293 . . 1 . . . . . . . . 6362 1 233 . 1 1 43 43 ASP CB C 13 43.2273 . . 1 . . . . . . . . 6362 1 234 . 1 1 44 44 ARG H H 1 9.408 . . 1 . . . . . . . . 6362 1 235 . 1 1 44 44 ARG N N 15 123.725 . . 1 . . . . . . . . 6362 1 236 . 1 1 44 44 ARG CA C 13 55.8683 . . 1 . . . . . . . . 6362 1 237 . 1 1 44 44 ARG CB C 13 33.1883 . . 1 . . . . . . . . 6362 1 238 . 1 1 45 45 ILE H H 1 8.803 . . 1 . . . . . . . . 6362 1 239 . 1 1 45 45 ILE HD11 H 1 0.619 . . 1 . . . . . . . . 6362 1 240 . 1 1 45 45 ILE HD12 H 1 0.619 . . 1 . . . . . . . . 6362 1 241 . 1 1 45 45 ILE HD13 H 1 0.619 . . 1 . . . . . . . . 6362 1 242 . 1 1 45 45 ILE CD1 C 13 14.165 . . 1 . . . . . . . . 6362 1 243 . 1 1 45 45 ILE N N 15 120.389 . . 1 . . . . . . . . 6362 1 244 . 1 1 45 45 ILE CA C 13 59.0113 . . 1 . . . . . . . . 6362 1 245 . 1 1 45 45 ILE CB C 13 43.2433 . . 1 . . . . . . . . 6362 1 246 . 1 1 46 46 ARG H H 1 9.232 . . 1 . . . . . . . . 6362 1 247 . 1 1 46 46 ARG N N 15 127.782 . . 1 . . . . . . . . 6362 1 248 . 1 1 46 46 ARG CA C 13 55.2183 . . 1 . . . . . . . . 6362 1 249 . 1 1 46 46 ARG CB C 13 31.2783 . . 1 . . . . . . . . 6362 1 250 . 1 1 47 47 LEU H H 1 9.735 . . 1 . . . . . . . . 6362 1 251 . 1 1 47 47 LEU HD11 H 1 0.748 . . 2 . . . . . . . . 6362 1 252 . 1 1 47 47 LEU HD12 H 1 0.748 . . 2 . . . . . . . . 6362 1 253 . 1 1 47 47 LEU HD13 H 1 0.748 . . 2 . . . . . . . . 6362 1 254 . 1 1 47 47 LEU HD21 H 1 0.786 . . 2 . . . . . . . . 6362 1 255 . 1 1 47 47 LEU HD22 H 1 0.786 . . 2 . . . . . . . . 6362 1 256 . 1 1 47 47 LEU HD23 H 1 0.786 . . 2 . . . . . . . . 6362 1 257 . 1 1 47 47 LEU CD1 C 13 26.355 . . 2 . . . . . . . . 6362 1 258 . 1 1 47 47 LEU CD2 C 13 23.045 . . 2 . . . . . . . . 6362 1 259 . 1 1 47 47 LEU N N 15 133.289 . . 1 . . . . . . . . 6362 1 260 . 1 1 47 47 LEU CA C 13 53.2283 . . 1 . . . . . . . . 6362 1 261 . 1 1 47 47 LEU CB C 13 44.9783 . . 1 . . . . . . . . 6362 1 262 . 1 1 48 48 THR H H 1 9.264 . . 1 . . . . . . . . 6362 1 263 . 1 1 48 48 THR HG1 H 1 5.378 . . 1 . . . . . . . . 6362 1 264 . 1 1 48 48 THR N N 15 116.286 . . 1 . . . . . . . . 6362 1 265 . 1 1 48 48 THR CA C 13 58.2033 . . 1 . . . . . . . . 6362 1 266 . 1 1 48 48 THR CB C 13 72.1263 . . 1 . . . . . . . . 6362 1 267 . 1 1 49 49 MET H H 1 8.473 . . 1 . . . . . . . . 6362 1 268 . 1 1 49 49 MET N N 15 117.025 . . 1 . . . . . . . . 6362 1 269 . 1 1 49 49 MET CA C 13 54.5783 . . 1 . . . . . . . . 6362 1 270 . 1 1 49 49 MET CB C 13 37.9983 . . 1 . . . . . . . . 6362 1 271 . 1 1 50 50 LYS H H 1 8.520 . . 1 . . . . . . . . 6362 1 272 . 1 1 50 50 LYS N N 15 123.920 . . 1 . . . . . . . . 6362 1 273 . 1 1 50 50 LYS CA C 13 54.3733 . . 1 . . . . . . . . 6362 1 274 . 1 1 50 50 LYS CB C 13 35.1083 . . 1 . . . . . . . . 6362 1 275 . 1 1 51 51 LEU H H 1 8.833 . . 1 . . . . . . . . 6362 1 276 . 1 1 51 51 LEU HD11 H 1 0.901 . . 2 . . . . . . . . 6362 1 277 . 1 1 51 51 LEU HD12 H 1 0.901 . . 2 . . . . . . . . 6362 1 278 . 1 1 51 51 LEU HD13 H 1 0.901 . . 2 . . . . . . . . 6362 1 279 . 1 1 51 51 LEU HD21 H 1 0.889 . . 2 . . . . . . . . 6362 1 280 . 1 1 51 51 LEU HD22 H 1 0.889 . . 2 . . . . . . . . 6362 1 281 . 1 1 51 51 LEU HD23 H 1 0.889 . . 2 . . . . . . . . 6362 1 282 . 1 1 51 51 LEU CD1 C 13 25.544 . . 2 . . . . . . . . 6362 1 283 . 1 1 51 51 LEU CD2 C 13 24.144 . . 2 . . . . . . . . 6362 1 284 . 1 1 51 51 LEU N N 15 125.507 . . 1 . . . . . . . . 6362 1 285 . 1 1 51 51 LEU CA C 13 54.1113 . . 1 . . . . . . . . 6362 1 286 . 1 1 51 51 LEU CB C 13 42.6603 . . 1 . . . . . . . . 6362 1 287 . 1 1 52 52 ASP H H 1 9.203 . . 1 . . . . . . . . 6362 1 288 . 1 1 52 52 ASP N N 15 123.592 . . 1 . . . . . . . . 6362 1 289 . 1 1 52 52 ASP CA C 13 52.6253 . . 1 . . . . . . . . 6362 1 290 . 1 1 52 52 ASP CB C 13 41.1393 . . 1 . . . . . . . . 6362 1 291 . 1 1 53 53 GLY H H 1 8.854 . . 1 . . . . . . . . 6362 1 292 . 1 1 53 53 GLY N N 15 115.236 . . 1 . . . . . . . . 6362 1 293 . 1 1 53 53 GLY CA C 13 47.2173 . . 1 . . . . . . . . 6362 1 294 . 1 1 54 54 ASP H H 1 8.773 . . 1 . . . . . . . . 6362 1 295 . 1 1 54 54 ASP N N 15 126.438 . . 1 . . . . . . . . 6362 1 296 . 1 1 54 54 ASP CA C 13 53.5983 . . 1 . . . . . . . . 6362 1 297 . 1 1 54 54 ASP CB C 13 40.7983 . . 1 . . . . . . . . 6362 1 298 . 1 1 55 55 ILE H H 1 7.863 . . 1 . . . . . . . . 6362 1 299 . 1 1 55 55 ILE HD11 H 1 0.749 . . 1 . . . . . . . . 6362 1 300 . 1 1 55 55 ILE HD12 H 1 0.749 . . 1 . . . . . . . . 6362 1 301 . 1 1 55 55 ILE HD13 H 1 0.749 . . 1 . . . . . . . . 6362 1 302 . 1 1 55 55 ILE CD1 C 13 10.784 . . 1 . . . . . . . . 6362 1 303 . 1 1 55 55 ILE N N 15 118.742 . . 1 . . . . . . . . 6362 1 304 . 1 1 55 55 ILE CA C 13 59.1793 . . 1 . . . . . . . . 6362 1 305 . 1 1 55 55 ILE CB C 13 38.6493 . . 1 . . . . . . . . 6362 1 306 . 1 1 56 56 VAL H H 1 8.751 . . 1 . . . . . . . . 6362 1 307 . 1 1 56 56 VAL HG11 H 1 0.699 . . 2 . . . . . . . . 6362 1 308 . 1 1 56 56 VAL HG12 H 1 0.699 . . 2 . . . . . . . . 6362 1 309 . 1 1 56 56 VAL HG13 H 1 0.699 . . 2 . . . . . . . . 6362 1 310 . 1 1 56 56 VAL HG21 H 1 0.594 . . 2 . . . . . . . . 6362 1 311 . 1 1 56 56 VAL HG22 H 1 0.594 . . 2 . . . . . . . . 6362 1 312 . 1 1 56 56 VAL HG23 H 1 0.594 . . 2 . . . . . . . . 6362 1 313 . 1 1 56 56 VAL CG1 C 13 19.526 . . 2 . . . . . . . . 6362 1 314 . 1 1 56 56 VAL CG2 C 13 21.509 . . 2 . . . . . . . . 6362 1 315 . 1 1 56 56 VAL N N 15 125.627 . . 1 . . . . . . . . 6362 1 316 . 1 1 56 56 VAL CA C 13 61.9913 . . 1 . . . . . . . . 6362 1 317 . 1 1 56 56 VAL CB C 13 28.9933 . . 1 . . . . . . . . 6362 1 318 . 1 1 57 57 GLU H H 1 8.629 . . 1 . . . . . . . . 6362 1 319 . 1 1 57 57 GLU N N 15 132.891 . . 1 . . . . . . . . 6362 1 320 . 1 1 57 57 GLU CA C 13 58.1983 . . 1 . . . . . . . . 6362 1 321 . 1 1 57 57 GLU CB C 13 30.3383 . . 1 . . . . . . . . 6362 1 322 . 1 1 58 58 ASP H H 1 8.017 . . 1 . . . . . . . . 6362 1 323 . 1 1 58 58 ASP N N 15 113.169 . . 1 . . . . . . . . 6362 1 324 . 1 1 58 58 ASP CA C 13 52.7073 . . 1 . . . . . . . . 6362 1 325 . 1 1 58 58 ASP CB C 13 43.5103 . . 1 . . . . . . . . 6362 1 326 . 1 1 59 59 ALA H H 1 8.683 . . 1 . . . . . . . . 6362 1 327 . 1 1 59 59 ALA N N 15 104.488 . . 1 . . . . . . . . 6362 1 328 . 1 1 59 59 ALA CA C 13 51.2993 . . 1 . . . . . . . . 6362 1 329 . 1 1 59 59 ALA CB C 13 21.1983 . . 1 . . . . . . . . 6362 1 330 . 1 1 60 60 LYS H H 1 8.945 . . 1 . . . . . . . . 6362 1 331 . 1 1 60 60 LYS N N 15 119.241 . . 1 . . . . . . . . 6362 1 332 . 1 1 60 60 LYS CA C 13 54.0383 . . 1 . . . . . . . . 6362 1 333 . 1 1 60 60 LYS CB C 13 38.7283 . . 1 . . . . . . . . 6362 1 334 . 1 1 61 61 PHE H H 1 9.043 . . 1 . . . . . . . . 6362 1 335 . 1 1 61 61 PHE HB2 H 1 2.686 . . 2 . . . . . . . . 6362 1 336 . 1 1 61 61 PHE HB3 H 1 2.846 . . 2 . . . . . . . . 6362 1 337 . 1 1 61 61 PHE HD1 H 1 7.321 . . 2 . . . . . . . . 6362 1 338 . 1 1 61 61 PHE HE1 H 1 7.244 . . 2 . . . . . . . . 6362 1 339 . 1 1 61 61 PHE N N 15 116.507 . . 1 . . . . . . . . 6362 1 340 . 1 1 61 61 PHE CA C 13 55.0783 . . 1 . . . . . . . . 6362 1 341 . 1 1 61 61 PHE CB C 13 43.0083 . . 1 . . . . . . . . 6362 1 342 . 1 1 62 62 GLU H H 1 8.754 . . 1 . . . . . . . . 6362 1 343 . 1 1 62 62 GLU N N 15 120.429 . . 1 . . . . . . . . 6362 1 344 . 1 1 62 62 GLU CA C 13 53.9753 . . 1 . . . . . . . . 6362 1 345 . 1 1 62 62 GLU CB C 13 33.6423 . . 1 . . . . . . . . 6362 1 346 . 1 1 63 63 GLY H H 1 8.553 . . 1 . . . . . . . . 6362 1 347 . 1 1 63 63 GLY N N 15 109.042 . . 1 . . . . . . . . 6362 1 348 . 1 1 63 63 GLY CA C 13 45.3723 . . 1 . . . . . . . . 6362 1 349 . 1 1 64 64 GLU H H 1 8.360 . . 1 . . . . . . . . 6362 1 350 . 1 1 64 64 GLU N N 15 117.560 . . 1 . . . . . . . . 6362 1 351 . 1 1 64 64 GLU CA C 13 55.1483 . . 1 . . . . . . . . 6362 1 352 . 1 1 64 64 GLU CB C 13 32.7503 . . 1 . . . . . . . . 6362 1 353 . 1 1 65 65 GLY H H 1 8.308 . . 1 . . . . . . . . 6362 1 354 . 1 1 65 65 GLY N N 15 108.488 . . 1 . . . . . . . . 6362 1 355 . 1 1 65 65 GLY CA C 13 45.3213 . . 1 . . . . . . . . 6362 1 356 . 1 1 66 66 CYS H H 1 8.934 . . 1 . . . . . . . . 6362 1 357 . 1 1 66 66 CYS N N 15 119.519 . . 1 . . . . . . . . 6362 1 358 . 1 1 66 66 CYS CA C 13 56.8883 . . 1 . . . . . . . . 6362 1 359 . 1 1 66 66 CYS CB C 13 31.1283 . . 1 . . . . . . . . 6362 1 360 . 1 1 67 67 SER H H 1 8.531 . . 1 . . . . . . . . 6362 1 361 . 1 1 67 67 SER N N 15 113.745 . . 1 . . . . . . . . 6362 1 362 . 1 1 67 67 SER CA C 13 60.4983 . . 1 . . . . . . . . 6362 1 363 . 1 1 67 67 SER CB C 13 61.4883 . . 1 . . . . . . . . 6362 1 364 . 1 1 68 68 ILE H H 1 6.797 . . 1 . . . . . . . . 6362 1 365 . 1 1 68 68 ILE HD11 H 1 0.748 . . 1 . . . . . . . . 6362 1 366 . 1 1 68 68 ILE HD12 H 1 0.748 . . 1 . . . . . . . . 6362 1 367 . 1 1 68 68 ILE HD13 H 1 0.748 . . 1 . . . . . . . . 6362 1 368 . 1 1 68 68 ILE CD1 C 13 10.750 . . 1 . . . . . . . . 6362 1 369 . 1 1 68 68 ILE N N 15 119.079 . . 1 . . . . . . . . 6362 1 370 . 1 1 68 68 ILE CA C 13 63.6273 . . 1 . . . . . . . . 6362 1 371 . 1 1 68 68 ILE CB C 13 37.1813 . . 1 . . . . . . . . 6362 1 372 . 1 1 69 69 SER H H 1 8.698 . . 1 . . . . . . . . 6362 1 373 . 1 1 69 69 SER HG H 1 3.730 . . 1 . . . . . . . . 6362 1 374 . 1 1 69 69 SER N N 15 118.919 . . 1 . . . . . . . . 6362 1 375 . 1 1 69 69 SER CA C 13 60.65 . . 1 . . . . . . . . 6362 1 376 . 1 1 69 69 SER CB C 13 62.45 . . 1 . . . . . . . . 6362 1 377 . 1 1 70 70 MET H H 1 8.003 . . 1 . . . . . . . . 6362 1 378 . 1 1 70 70 MET N N 15 122.387 . . 1 . . . . . . . . 6362 1 379 . 1 1 70 70 MET CA C 13 56.6783 . . 1 . . . . . . . . 6362 1 380 . 1 1 70 70 MET CB C 13 34.3183 . . 1 . . . . . . . . 6362 1 381 . 1 1 71 71 ALA H H 1 8.805 . . 1 . . . . . . . . 6362 1 382 . 1 1 71 71 ALA N N 15 123.647 . . 1 . . . . . . . . 6362 1 383 . 1 1 71 71 ALA CA C 13 55.5353 . . 1 . . . . . . . . 6362 1 384 . 1 1 71 71 ALA CB C 13 19.5133 . . 1 . . . . . . . . 6362 1 385 . 1 1 72 72 SER H H 1 8.157 . . 1 . . . . . . . . 6362 1 386 . 1 1 72 72 SER N N 15 108.914 . . 1 . . . . . . . . 6362 1 387 . 1 1 72 72 SER CA C 13 59.8083 . . 1 . . . . . . . . 6362 1 388 . 1 1 72 72 SER CB C 13 62.5383 . . 1 . . . . . . . . 6362 1 389 . 1 1 73 73 ALA H H 1 7.108 . . 1 . . . . . . . . 6362 1 390 . 1 1 73 73 ALA N N 15 119.725 . . 1 . . . . . . . . 6362 1 391 . 1 1 73 73 ALA CA C 13 55.1053 . . 1 . . . . . . . . 6362 1 392 . 1 1 73 73 ALA CB C 13 16.5103 . . 1 . . . . . . . . 6362 1 393 . 1 1 74 74 SER H H 1 7.115 . . 1 . . . . . . . . 6362 1 394 . 1 1 74 74 SER N N 15 113.696 . . 1 . . . . . . . . 6362 1 395 . 1 1 74 74 SER CA C 13 60.7383 . . 1 . . . . . . . . 6362 1 396 . 1 1 74 74 SER CB C 13 61.6883 . . 1 . . . . . . . . 6362 1 397 . 1 1 75 75 MET H H 1 8.179 . . 1 . . . . . . . . 6362 1 398 . 1 1 75 75 MET N N 15 115.825 . . 1 . . . . . . . . 6362 1 399 . 1 1 75 75 MET CA C 13 59.1083 . . 1 . . . . . . . . 6362 1 400 . 1 1 75 75 MET CB C 13 32.9883 . . 1 . . . . . . . . 6362 1 401 . 1 1 76 76 MET H H 1 8.821 . . 1 . . . . . . . . 6362 1 402 . 1 1 76 76 MET N N 15 119.856 . . 1 . . . . . . . . 6362 1 403 . 1 1 76 76 MET CA C 13 59.1483 . . 1 . . . . . . . . 6362 1 404 . 1 1 76 76 MET CB C 13 31.4483 . . 1 . . . . . . . . 6362 1 405 . 1 1 77 77 THR H H 1 7.929 . . 1 . . . . . . . . 6362 1 406 . 1 1 77 77 THR HG1 H 1 4.160 . . 1 . . . . . . . . 6362 1 407 . 1 1 77 77 THR N N 15 107.138 . . 1 . . . . . . . . 6362 1 408 . 1 1 77 77 THR CA C 13 65.6683 . . 1 . . . . . . . . 6362 1 409 . 1 1 77 77 THR CB C 13 65.6683 . . 1 . . . . . . . . 6362 1 410 . 1 1 78 78 GLN H H 1 7.404 . . 1 . . . . . . . . 6362 1 411 . 1 1 78 78 GLN N N 15 117.903 . . 1 . . . . . . . . 6362 1 412 . 1 1 78 78 GLN CA C 13 57.5563 . . 1 . . . . . . . . 6362 1 413 . 1 1 78 78 GLN CB C 13 28.8223 . . 1 . . . . . . . . 6362 1 414 . 1 1 79 79 ALA H H 1 7.808 . . 1 . . . . . . . . 6362 1 415 . 1 1 79 79 ALA N N 15 120.626 . . 1 . . . . . . . . 6362 1 416 . 1 1 79 79 ALA CA C 13 54.2653 . . 1 . . . . . . . . 6362 1 417 . 1 1 79 79 ALA CB C 13 19.4393 . . 1 . . . . . . . . 6362 1 418 . 1 1 80 80 ILE H H 1 7.783 . . 1 . . . . . . . . 6362 1 419 . 1 1 80 80 ILE HD11 H 1 0.576 . . 1 . . . . . . . . 6362 1 420 . 1 1 80 80 ILE HD12 H 1 0.576 . . 1 . . . . . . . . 6362 1 421 . 1 1 80 80 ILE HD13 H 1 0.576 . . 1 . . . . . . . . 6362 1 422 . 1 1 80 80 ILE CD1 C 13 14.978 . . 1 . . . . . . . . 6362 1 423 . 1 1 80 80 ILE N N 15 106.976 . . 1 . . . . . . . . 6362 1 424 . 1 1 80 80 ILE CA C 13 62.2943 . . 1 . . . . . . . . 6362 1 425 . 1 1 80 80 ILE CB C 13 38.8383 . . 1 . . . . . . . . 6362 1 426 . 1 1 81 81 LYS H H 1 6.758 . . 1 . . . . . . . . 6362 1 427 . 1 1 81 81 LYS N N 15 120.770 . . 1 . . . . . . . . 6362 1 428 . 1 1 81 81 LYS CA C 13 59.1653 . . 1 . . . . . . . . 6362 1 429 . 1 1 81 81 LYS CB C 13 31.5573 . . 1 . . . . . . . . 6362 1 430 . 1 1 82 82 GLY H H 1 9.417 . . 1 . . . . . . . . 6362 1 431 . 1 1 82 82 GLY N N 15 115.069 . . 1 . . . . . . . . 6362 1 432 . 1 1 82 82 GLY CA C 13 45.2813 . . 1 . . . . . . . . 6362 1 433 . 1 1 83 83 LYS H H 1 8.076 . . 1 . . . . . . . . 6362 1 434 . 1 1 83 83 LYS N N 15 119.856 . . 1 . . . . . . . . 6362 1 435 . 1 1 83 83 LYS CA C 13 53.8183 . . 1 . . . . . . . . 6362 1 436 . 1 1 83 83 LYS CB C 13 32.7183 . . 1 . . . . . . . . 6362 1 437 . 1 1 84 84 ASP H H 1 8.159 . . 1 . . . . . . . . 6362 1 438 . 1 1 84 84 ASP N N 15 116.771 . . 1 . . . . . . . . 6362 1 439 . 1 1 84 84 ASP CA C 13 52.3593 . . 1 . . . . . . . . 6362 1 440 . 1 1 84 84 ASP CB C 13 41.3013 . . 1 . . . . . . . . 6362 1 441 . 1 1 85 85 ILE H H 1 8.735 . . 1 . . . . . . . . 6362 1 442 . 1 1 85 85 ILE HD11 H 1 0.946 . . 1 . . . . . . . . 6362 1 443 . 1 1 85 85 ILE HD12 H 1 0.946 . . 1 . . . . . . . . 6362 1 444 . 1 1 85 85 ILE HD13 H 1 0.946 . . 1 . . . . . . . . 6362 1 445 . 1 1 85 85 ILE CD1 C 13 13.683 . . 1 . . . . . . . . 6362 1 446 . 1 1 85 85 ILE N N 15 120.414 . . 1 . . . . . . . . 6362 1 447 . 1 1 85 85 ILE CA C 13 65.5083 . . 1 . . . . . . . . 6362 1 448 . 1 1 85 85 ILE CB C 13 38.0583 . . 1 . . . . . . . . 6362 1 449 . 1 1 86 86 GLU H H 1 8.573 . . 1 . . . . . . . . 6362 1 450 . 1 1 86 86 GLU N N 15 118.702 . . 1 . . . . . . . . 6362 1 451 . 1 1 86 86 GLU CA C 13 59.6803 . . 1 . . . . . . . . 6362 1 452 . 1 1 86 86 GLU CB C 13 28.6573 . . 1 . . . . . . . . 6362 1 453 . 1 1 87 87 THR H H 1 8.442 . . 1 . . . . . . . . 6362 1 454 . 1 1 87 87 THR N N 15 119.887 . . 1 . . . . . . . . 6362 1 455 . 1 1 87 87 THR CA C 13 67.2283 . . 1 . . . . . . . . 6362 1 456 . 1 1 87 87 THR CB C 13 67.0763 . . 1 . . . . . . . . 6362 1 457 . 1 1 88 88 ALA H H 1 8.791 . . 1 . . . . . . . . 6362 1 458 . 1 1 88 88 ALA N N 15 125.967 . . 1 . . . . . . . . 6362 1 459 . 1 1 88 88 ALA CA C 13 55.8343 . . 1 . . . . . . . . 6362 1 460 . 1 1 88 88 ALA CB C 13 16.6163 . . 1 . . . . . . . . 6362 1 461 . 1 1 89 89 LEU H H 1 8.860 . . 1 . . . . . . . . 6362 1 462 . 1 1 89 89 LEU HD11 H 1 0.894 . . 2 . . . . . . . . 6362 1 463 . 1 1 89 89 LEU HD12 H 1 0.894 . . 2 . . . . . . . . 6362 1 464 . 1 1 89 89 LEU HD13 H 1 0.894 . . 2 . . . . . . . . 6362 1 465 . 1 1 89 89 LEU HD21 H 1 0.865 . . 2 . . . . . . . . 6362 1 466 . 1 1 89 89 LEU HD22 H 1 0.865 . . 2 . . . . . . . . 6362 1 467 . 1 1 89 89 LEU HD23 H 1 0.865 . . 2 . . . . . . . . 6362 1 468 . 1 1 89 89 LEU CD1 C 13 25.551 . . 2 . . . . . . . . 6362 1 469 . 1 1 89 89 LEU CD2 C 13 22.216 . . 2 . . . . . . . . 6362 1 470 . 1 1 89 89 LEU N N 15 116.251 . . 1 . . . . . . . . 6362 1 471 . 1 1 89 89 LEU CA C 13 57.3283 . . 1 . . . . . . . . 6362 1 472 . 1 1 89 89 LEU CB C 13 40.9543 . . 1 . . . . . . . . 6362 1 473 . 1 1 90 90 SER H H 1 8.412 . . 1 . . . . . . . . 6362 1 474 . 1 1 90 90 SER N N 15 119.352 . . 1 . . . . . . . . 6362 1 475 . 1 1 90 90 SER CA C 13 61.9233 . . 1 . . . . . . . . 6362 1 476 . 1 1 90 90 SER CB C 13 62.2373 . . 1 . . . . . . . . 6362 1 477 . 1 1 91 91 MET CA C 13 59.6883 . . 1 . . . . . . . . 6362 1 478 . 1 1 91 91 MET CB C 13 32.5683 . . 1 . . . . . . . . 6362 1 479 . 1 1 92 92 SER H H 1 7.794 . . 1 . . . . . . . . 6362 1 480 . 1 1 92 92 SER N N 15 113.230 . . 1 . . . . . . . . 6362 1 481 . 1 1 92 92 SER CA C 13 60.5983 . . 1 . . . . . . . . 6362 1 482 . 1 1 92 92 SER CB C 13 62.7983 . . 1 . . . . . . . . 6362 1 483 . 1 1 93 93 LYS H H 1 7.654 . . 1 . . . . . . . . 6362 1 484 . 1 1 93 93 LYS N N 15 120.923 . . 1 . . . . . . . . 6362 1 485 . 1 1 93 93 LYS CA C 13 59.1493 . . 1 . . . . . . . . 6362 1 486 . 1 1 93 93 LYS CB C 13 31.6493 . . 1 . . . . . . . . 6362 1 487 . 1 1 94 94 ILE H H 1 7.954 . . 1 . . . . . . . . 6362 1 488 . 1 1 94 94 ILE HD11 H 1 0.883 . . 1 . . . . . . . . 6362 1 489 . 1 1 94 94 ILE HD12 H 1 0.883 . . 1 . . . . . . . . 6362 1 490 . 1 1 94 94 ILE HD13 H 1 0.883 . . 1 . . . . . . . . 6362 1 491 . 1 1 94 94 ILE CD1 C 13 14.049 . . 1 . . . . . . . . 6362 1 492 . 1 1 94 94 ILE N N 15 120.999 . . 1 . . . . . . . . 6362 1 493 . 1 1 94 94 ILE CA C 13 64.8713 . . 1 . . . . . . . . 6362 1 494 . 1 1 94 94 ILE CB C 13 37.8383 . . 1 . . . . . . . . 6362 1 495 . 1 1 95 95 PHE H H 1 8.398 . . 1 . . . . . . . . 6362 1 496 . 1 1 95 95 PHE HB2 H 1 2.003 . . 2 . . . . . . . . 6362 1 497 . 1 1 95 95 PHE HB3 H 1 2.182 . . 2 . . . . . . . . 6362 1 498 . 1 1 95 95 PHE HD2 H 1 6.921 . . 2 . . . . . . . . 6362 1 499 . 1 1 95 95 PHE HE2 H 1 6.505 . . 2 . . . . . . . . 6362 1 500 . 1 1 95 95 PHE N N 15 120.362 . . 1 . . . . . . . . 6362 1 501 . 1 1 95 95 PHE CA C 13 61.6383 . . 1 . . . . . . . . 6362 1 502 . 1 1 95 95 PHE CB C 13 37.5483 . . 1 . . . . . . . . 6362 1 503 . 1 1 96 96 SER H H 1 8.039 . . 1 . . . . . . . . 6362 1 504 . 1 1 96 96 SER N N 15 113.892 . . 1 . . . . . . . . 6362 1 505 . 1 1 96 96 SER CA C 13 62.2573 . . 1 . . . . . . . . 6362 1 506 . 1 1 96 96 SER CB C 13 62.2293 . . 1 . . . . . . . . 6362 1 507 . 1 1 97 97 ASP H H 1 8.159 . . 1 . . . . . . . . 6362 1 508 . 1 1 97 97 ASP N N 15 123.160 . . 1 . . . . . . . . 6362 1 509 . 1 1 97 97 ASP CA C 13 57.7483 . . 1 . . . . . . . . 6362 1 510 . 1 1 97 97 ASP CB C 13 39.1683 . . 1 . . . . . . . . 6362 1 511 . 1 1 98 98 MET H H 1 8.531 . . 1 . . . . . . . . 6362 1 512 . 1 1 98 98 MET N N 15 121.851 . . 1 . . . . . . . . 6362 1 513 . 1 1 98 98 MET CA C 13 58.8683 . . 1 . . . . . . . . 6362 1 514 . 1 1 98 98 MET CB C 13 32.4183 . . 1 . . . . . . . . 6362 1 515 . 1 1 99 99 MET H H 1 8.088 . . 1 . . . . . . . . 6362 1 516 . 1 1 99 99 MET N N 15 118.066 . . 1 . . . . . . . . 6362 1 517 . 1 1 99 99 MET CA C 13 55.9083 . . 1 . . . . . . . . 6362 1 518 . 1 1 99 99 MET CB C 13 32.7583 . . 1 . . . . . . . . 6362 1 519 . 1 1 100 100 GLN H H 1 7.475 . . 1 . . . . . . . . 6362 1 520 . 1 1 100 100 GLN HE21 H 1 7.241 . . 2 . . . . . . . . 6362 1 521 . 1 1 100 100 GLN HE22 H 1 6.873 . . 2 . . . . . . . . 6362 1 522 . 1 1 100 100 GLN N N 15 114.507 . . 1 . . . . . . . . 6362 1 523 . 1 1 100 100 GLN NE2 N 15 112.066 . . 1 . . . . . . . . 6362 1 524 . 1 1 100 100 GLN CA C 13 55.3783 . . 1 . . . . . . . . 6362 1 525 . 1 1 100 100 GLN CB C 13 29.5613 . . 1 . . . . . . . . 6362 1 526 . 1 1 101 101 GLY H H 1 7.919 . . 1 . . . . . . . . 6362 1 527 . 1 1 101 101 GLY N N 15 108.086 . . 1 . . . . . . . . 6362 1 528 . 1 1 101 101 GLY CA C 13 45.7573 . . 1 . . . . . . . . 6362 1 529 . 1 1 102 102 LYS H H 1 7.813 . . 1 . . . . . . . . 6362 1 530 . 1 1 102 102 LYS N N 15 119.495 . . 1 . . . . . . . . 6362 1 531 . 1 1 102 102 LYS CA C 13 54.9173 . . 1 . . . . . . . . 6362 1 532 . 1 1 102 102 LYS CB C 13 33.6733 . . 1 . . . . . . . . 6362 1 533 . 1 1 103 103 GLU H H 1 8.281 . . 1 . . . . . . . . 6362 1 534 . 1 1 103 103 GLU N N 15 120.575 . . 1 . . . . . . . . 6362 1 535 . 1 1 103 103 GLU CA C 13 56.6803 . . 1 . . . . . . . . 6362 1 536 . 1 1 103 103 GLU CB C 13 29.5053 . . 1 . . . . . . . . 6362 1 537 . 1 1 104 104 TYR H H 1 7.594 . . 1 . . . . . . . . 6362 1 538 . 1 1 104 104 TYR HB2 H 1 3.082 . . 2 . . . . . . . . 6362 1 539 . 1 1 104 104 TYR HB3 H 1 2.746 . . 2 . . . . . . . . 6362 1 540 . 1 1 104 104 TYR HD1 H 1 7.033 . . 2 . . . . . . . . 6362 1 541 . 1 1 104 104 TYR HE1 H 1 6.710 . . 2 . . . . . . . . 6362 1 542 . 1 1 104 104 TYR N N 15 119.699 . . 1 . . . . . . . . 6362 1 543 . 1 1 104 104 TYR CA C 13 55.1283 . . 1 . . . . . . . . 6362 1 544 . 1 1 104 104 TYR CB C 13 40.2983 . . 1 . . . . . . . . 6362 1 545 . 1 1 105 105 ASP H H 1 8.409 . . 1 . . . . . . . . 6362 1 546 . 1 1 105 105 ASP N N 15 121.341 . . 1 . . . . . . . . 6362 1 547 . 1 1 105 105 ASP CA C 13 54.2713 . . 1 . . . . . . . . 6362 1 548 . 1 1 105 105 ASP CB C 13 40.8163 . . 1 . . . . . . . . 6362 1 549 . 1 1 106 106 ASP H H 1 7.975 . . 1 . . . . . . . . 6362 1 550 . 1 1 106 106 ASP N N 15 122.971 . . 1 . . . . . . . . 6362 1 551 . 1 1 106 106 ASP CA C 13 53.1063 . . 1 . . . . . . . . 6362 1 552 . 1 1 106 106 ASP CB C 13 40.2053 . . 1 . . . . . . . . 6362 1 553 . 1 1 107 107 SER H H 1 8.567 . . 1 . . . . . . . . 6362 1 554 . 1 1 107 107 SER N N 15 115.428 . . 1 . . . . . . . . 6362 1 555 . 1 1 107 107 SER CA C 13 60.2523 . . 1 . . . . . . . . 6362 1 556 . 1 1 107 107 SER CB C 13 63.1973 . . 1 . . . . . . . . 6362 1 557 . 1 1 108 108 ILE H H 1 7.184 . . 1 . . . . . . . . 6362 1 558 . 1 1 108 108 ILE HD11 H 1 0.799 . . 1 . . . . . . . . 6362 1 559 . 1 1 108 108 ILE HD12 H 1 0.799 . . 1 . . . . . . . . 6362 1 560 . 1 1 108 108 ILE HD13 H 1 0.799 . . 1 . . . . . . . . 6362 1 561 . 1 1 108 108 ILE CD1 C 13 13.210 . . 1 . . . . . . . . 6362 1 562 . 1 1 108 108 ILE N N 15 120.862 . . 1 . . . . . . . . 6362 1 563 . 1 1 108 108 ILE CA C 13 59.7873 . . 1 . . . . . . . . 6362 1 564 . 1 1 108 108 ILE CB C 13 39.3803 . . 1 . . . . . . . . 6362 1 565 . 1 1 109 109 ASP H H 1 8.394 . . 1 . . . . . . . . 6362 1 566 . 1 1 109 109 ASP N N 15 124.253 . . 1 . . . . . . . . 6362 1 567 . 1 1 109 109 ASP CA C 13 53.8843 . . 1 . . . . . . . . 6362 1 568 . 1 1 109 109 ASP CB C 13 40.6823 . . 1 . . . . . . . . 6362 1 569 . 1 1 110 110 LEU H H 1 8.955 . . 1 . . . . . . . . 6362 1 570 . 1 1 110 110 LEU HD11 H 1 0.707 . . 2 . . . . . . . . 6362 1 571 . 1 1 110 110 LEU HD12 H 1 0.707 . . 2 . . . . . . . . 6362 1 572 . 1 1 110 110 LEU HD13 H 1 0.707 . . 2 . . . . . . . . 6362 1 573 . 1 1 110 110 LEU HD21 H 1 0.784 . . 2 . . . . . . . . 6362 1 574 . 1 1 110 110 LEU HD22 H 1 0.784 . . 2 . . . . . . . . 6362 1 575 . 1 1 110 110 LEU HD23 H 1 0.784 . . 2 . . . . . . . . 6362 1 576 . 1 1 110 110 LEU CD1 C 13 22.379 . . 2 . . . . . . . . 6362 1 577 . 1 1 110 110 LEU CD2 C 13 25.889 . . 2 . . . . . . . . 6362 1 578 . 1 1 110 110 LEU N N 15 126.802 . . 1 . . . . . . . . 6362 1 579 . 1 1 110 110 LEU CA C 13 54.0413 . . 1 . . . . . . . . 6362 1 580 . 1 1 110 110 LEU CB C 13 42.1183 . . 1 . . . . . . . . 6362 1 581 . 1 1 111 111 GLY H H 1 8.570 . . 1 . . . . . . . . 6362 1 582 . 1 1 111 111 GLY N N 15 109.482 . . 1 . . . . . . . . 6362 1 583 . 1 1 111 111 GLY CA C 13 46.8423 . . 1 . . . . . . . . 6362 1 584 . 1 1 112 112 ASP H H 1 9.121 . . 1 . . . . . . . . 6362 1 585 . 1 1 112 112 ASP N N 15 127.561 . . 1 . . . . . . . . 6362 1 586 . 1 1 112 112 ASP CA C 13 56.4403 . . 1 . . . . . . . . 6362 1 587 . 1 1 112 112 ASP CB C 13 40.6903 . . 1 . . . . . . . . 6362 1 588 . 1 1 113 113 ILE H H 1 7.596 . . 1 . . . . . . . . 6362 1 589 . 1 1 113 113 ILE HD11 H 1 0.960 . . 1 . . . . . . . . 6362 1 590 . 1 1 113 113 ILE HD12 H 1 0.960 . . 1 . . . . . . . . 6362 1 591 . 1 1 113 113 ILE HD13 H 1 0.960 . . 1 . . . . . . . . 6362 1 592 . 1 1 113 113 ILE CD1 C 13 14.083 . . 1 . . . . . . . . 6362 1 593 . 1 1 113 113 ILE N N 15 116.365 . . 1 . . . . . . . . 6362 1 594 . 1 1 113 113 ILE CA C 13 64.2413 . . 1 . . . . . . . . 6362 1 595 . 1 1 113 113 ILE CB C 13 37.2123 . . 1 . . . . . . . . 6362 1 596 . 1 1 114 114 GLU H H 1 7.757 . . 1 . . . . . . . . 6362 1 597 . 1 1 114 114 GLU N N 15 116.594 . . 1 . . . . . . . . 6362 1 598 . 1 1 114 114 GLU CA C 13 58.8643 . . 1 . . . . . . . . 6362 1 599 . 1 1 114 114 GLU CB C 13 29.7833 . . 1 . . . . . . . . 6362 1 600 . 1 1 115 115 ALA H H 1 8.018 . . 1 . . . . . . . . 6362 1 601 . 1 1 115 115 ALA N N 15 119.757 . . 1 . . . . . . . . 6362 1 602 . 1 1 115 115 ALA CA C 13 53.1783 . . 1 . . . . . . . . 6362 1 603 . 1 1 115 115 ALA CB C 13 18.3483 . . 1 . . . . . . . . 6362 1 604 . 1 1 116 116 LEU H H 1 7.742 . . 1 . . . . . . . . 6362 1 605 . 1 1 116 116 LEU HD11 H 1 1.208 . . 2 . . . . . . . . 6362 1 606 . 1 1 116 116 LEU HD12 H 1 1.208 . . 2 . . . . . . . . 6362 1 607 . 1 1 116 116 LEU HD13 H 1 1.208 . . 2 . . . . . . . . 6362 1 608 . 1 1 116 116 LEU HD21 H 1 0.874 . . 2 . . . . . . . . 6362 1 609 . 1 1 116 116 LEU HD22 H 1 0.874 . . 2 . . . . . . . . 6362 1 610 . 1 1 116 116 LEU HD23 H 1 0.874 . . 2 . . . . . . . . 6362 1 611 . 1 1 116 116 LEU CD1 C 13 27.662 . . 2 . . . . . . . . 6362 1 612 . 1 1 116 116 LEU CD2 C 13 23.367 . . 2 . . . . . . . . 6362 1 613 . 1 1 116 116 LEU N N 15 113.704 . . 1 . . . . . . . . 6362 1 614 . 1 1 116 116 LEU CA C 13 54.8283 . . 1 . . . . . . . . 6362 1 615 . 1 1 116 116 LEU CB C 13 40.8783 . . 1 . . . . . . . . 6362 1 616 . 1 1 117 117 GLN H H 1 7.701 . . 1 . . . . . . . . 6362 1 617 . 1 1 117 117 GLN HE21 H 1 7.435 . . 2 . . . . . . . . 6362 1 618 . 1 1 117 117 GLN HE22 H 1 6.970 . . 2 . . . . . . . . 6362 1 619 . 1 1 117 117 GLN N N 15 118.624 . . 1 . . . . . . . . 6362 1 620 . 1 1 117 117 GLN NE2 N 15 111.087 . . 1 . . . . . . . . 6362 1 621 . 1 1 117 117 GLN CA C 13 59.7883 . . 1 . . . . . . . . 6362 1 622 . 1 1 117 117 GLN CB C 13 28.7023 . . 1 . . . . . . . . 6362 1 623 . 1 1 118 118 GLY H H 1 8.526 . . 1 . . . . . . . . 6362 1 624 . 1 1 118 118 GLY N N 15 107.293 . . 1 . . . . . . . . 6362 1 625 . 1 1 118 118 GLY CA C 13 45.8083 . . 1 . . . . . . . . 6362 1 626 . 1 1 119 119 VAL H H 1 8.096 . . 1 . . . . . . . . 6362 1 627 . 1 1 119 119 VAL HG11 H 1 0.977 . . 2 . . . . . . . . 6362 1 628 . 1 1 119 119 VAL HG12 H 1 0.977 . . 2 . . . . . . . . 6362 1 629 . 1 1 119 119 VAL HG13 H 1 0.977 . . 2 . . . . . . . . 6362 1 630 . 1 1 119 119 VAL HG21 H 1 1.034 . . 2 . . . . . . . . 6362 1 631 . 1 1 119 119 VAL HG22 H 1 1.034 . . 2 . . . . . . . . 6362 1 632 . 1 1 119 119 VAL HG23 H 1 1.034 . . 2 . . . . . . . . 6362 1 633 . 1 1 119 119 VAL CG1 C 13 22.453 . . 2 . . . . . . . . 6362 1 634 . 1 1 119 119 VAL CG2 C 13 23.420 . . 2 . . . . . . . . 6362 1 635 . 1 1 119 119 VAL N N 15 121.000 . . 1 . . . . . . . . 6362 1 636 . 1 1 119 119 VAL CA C 13 64.3123 . . 1 . . . . . . . . 6362 1 637 . 1 1 119 119 VAL CB C 13 31.0923 . . 1 . . . . . . . . 6362 1 638 . 1 1 120 120 SER H H 1 7.608 . . 1 . . . . . . . . 6362 1 639 . 1 1 120 120 SER N N 15 112.320 . . 1 . . . . . . . . 6362 1 640 . 1 1 120 120 SER CA C 13 60.2903 . . 1 . . . . . . . . 6362 1 641 . 1 1 120 120 SER CB C 13 63.1883 . . 1 . . . . . . . . 6362 1 642 . 1 1 121 121 LYS H H 1 7.155 . . 1 . . . . . . . . 6362 1 643 . 1 1 121 121 LYS N N 15 119.108 . . 1 . . . . . . . . 6362 1 644 . 1 1 121 121 LYS CA C 13 55.9793 . . 1 . . . . . . . . 6362 1 645 . 1 1 121 121 LYS CB C 13 31.3393 . . 1 . . . . . . . . 6362 1 646 . 1 1 122 122 PHE H H 1 8.250 . . 1 . . . . . . . . 6362 1 647 . 1 1 122 122 PHE HB2 H 1 3.119 . . 2 . . . . . . . . 6362 1 648 . 1 1 122 122 PHE HD2 H 1 7.367 . . 2 . . . . . . . . 6362 1 649 . 1 1 122 122 PHE HE2 H 1 7.313 . . 2 . . . . . . . . 6362 1 650 . 1 1 122 122 PHE N N 15 120.041 . . 1 . . . . . . . . 6362 1 651 . 1 1 122 122 PHE CA C 13 54.4083 . . 1 . . . . . . . . 6362 1 652 . 1 1 122 122 PHE CB C 13 38.6383 . . 1 . . . . . . . . 6362 1 653 . 1 1 123 123 PRO CA C 13 65.3583 . . 1 . . . . . . . . 6362 1 654 . 1 1 123 123 PRO CB C 13 31.4783 . . 1 . . . . . . . . 6362 1 655 . 1 1 124 124 ALA H H 1 8.877 . . 1 . . . . . . . . 6362 1 656 . 1 1 124 124 ALA N N 15 119.167 . . 1 . . . . . . . . 6362 1 657 . 1 1 124 124 ALA CA C 13 54.4983 . . 1 . . . . . . . . 6362 1 658 . 1 1 124 124 ALA CB C 13 18.2183 . . 1 . . . . . . . . 6362 1 659 . 1 1 125 125 ARG H H 1 8.456 . . 1 . . . . . . . . 6362 1 660 . 1 1 125 125 ARG N N 15 113.663 . . 1 . . . . . . . . 6362 1 661 . 1 1 125 125 ARG CA C 13 54.1983 . . 1 . . . . . . . . 6362 1 662 . 1 1 125 125 ARG CB C 13 28.1483 . . 1 . . . . . . . . 6362 1 663 . 1 1 126 126 ILE H H 1 7.626 . . 1 . . . . . . . . 6362 1 664 . 1 1 126 126 ILE N N 15 122.287 . . 1 . . . . . . . . 6362 1 665 . 1 1 126 126 ILE CA C 13 66.2883 . . 1 . . . . . . . . 6362 1 666 . 1 1 126 126 ILE CB C 13 37.4883 . . 1 . . . . . . . . 6362 1 667 . 1 1 127 127 LYS H H 1 7.979 . . 1 . . . . . . . . 6362 1 668 . 1 1 127 127 LYS N N 15 117.587 . . 1 . . . . . . . . 6362 1 669 . 1 1 127 127 LYS CA C 13 58.8883 . . 1 . . . . . . . . 6362 1 670 . 1 1 127 127 LYS CB C 13 31.6833 . . 1 . . . . . . . . 6362 1 671 . 1 1 128 128 CYS H H 1 7.104 . . 1 . . . . . . . . 6362 1 672 . 1 1 128 128 CYS N N 15 119.652 . . 1 . . . . . . . . 6362 1 673 . 1 1 128 128 CYS CA C 13 63.6553 . . 1 . . . . . . . . 6362 1 674 . 1 1 128 128 CYS CB C 13 29.5503 . . 1 . . . . . . . . 6362 1 675 . 1 1 129 129 ALA H H 1 7.659 . . 1 . . . . . . . . 6362 1 676 . 1 1 129 129 ALA N N 15 119.389 . . 1 . . . . . . . . 6362 1 677 . 1 1 129 129 ALA CA C 13 54.7753 . . 1 . . . . . . . . 6362 1 678 . 1 1 129 129 ALA CB C 13 18.9503 . . 1 . . . . . . . . 6362 1 679 . 1 1 130 130 THR H H 1 8.658 . . 1 . . . . . . . . 6362 1 680 . 1 1 130 130 THR N N 15 105.331 . . 1 . . . . . . . . 6362 1 681 . 1 1 130 130 THR CA C 13 62.9113 . . 1 . . . . . . . . 6362 1 682 . 1 1 130 130 THR CB C 13 69.7943 . . 1 . . . . . . . . 6362 1 683 . 1 1 131 131 LEU H H 1 7.023 . . 1 . . . . . . . . 6362 1 684 . 1 1 131 131 LEU HD11 H 1 0.736 . . 2 . . . . . . . . 6362 1 685 . 1 1 131 131 LEU HD12 H 1 0.736 . . 2 . . . . . . . . 6362 1 686 . 1 1 131 131 LEU HD13 H 1 0.736 . . 2 . . . . . . . . 6362 1 687 . 1 1 131 131 LEU HD21 H 1 0.770 . . 2 . . . . . . . . 6362 1 688 . 1 1 131 131 LEU HD22 H 1 0.770 . . 2 . . . . . . . . 6362 1 689 . 1 1 131 131 LEU HD23 H 1 0.770 . . 2 . . . . . . . . 6362 1 690 . 1 1 131 131 LEU CD1 C 13 26.349 . . 2 . . . . . . . . 6362 1 691 . 1 1 131 131 LEU CD2 C 13 24.378 . . 2 . . . . . . . . 6362 1 692 . 1 1 131 131 LEU N N 15 124.857 . . 1 . . . . . . . . 6362 1 693 . 1 1 131 131 LEU CA C 13 59.0983 . . 1 . . . . . . . . 6362 1 694 . 1 1 131 131 LEU CB C 13 41.2683 . . 1 . . . . . . . . 6362 1 695 . 1 1 132 132 SER H H 1 8.435 . . 1 . . . . . . . . 6362 1 696 . 1 1 132 132 SER N N 15 110.805 . . 1 . . . . . . . . 6362 1 697 . 1 1 132 132 SER CA C 13 61.1713 . . 1 . . . . . . . . 6362 1 698 . 1 1 132 132 SER CB C 13 59.8863 . . 1 . . . . . . . . 6362 1 699 . 1 1 133 133 TRP H H 1 6.697 . . 1 . . . . . . . . 6362 1 700 . 1 1 133 133 TRP N N 15 126.002 . . 1 . . . . . . . . 6362 1 701 . 1 1 133 133 TRP CA C 13 59.2773 . . 1 . . . . . . . . 6362 1 702 . 1 1 133 133 TRP CB C 13 27.9153 . . 1 . . . . . . . . 6362 1 703 . 1 1 134 134 LYS H H 1 8.722 . . 1 . . . . . . . . 6362 1 704 . 1 1 134 134 LYS N N 15 119.656 . . 1 . . . . . . . . 6362 1 705 . 1 1 134 134 LYS CA C 13 58.1683 . . 1 . . . . . . . . 6362 1 706 . 1 1 134 134 LYS CB C 13 31.0783 . . 1 . . . . . . . . 6362 1 707 . 1 1 135 135 ALA H H 1 7.926 . . 1 . . . . . . . . 6362 1 708 . 1 1 135 135 ALA N N 15 123.413 . . 1 . . . . . . . . 6362 1 709 . 1 1 135 135 ALA CA C 13 54.7643 . . 1 . . . . . . . . 6362 1 710 . 1 1 135 135 ALA CB C 13 16.7473 . . 1 . . . . . . . . 6362 1 711 . 1 1 136 136 LEU H H 1 7.709 . . 1 . . . . . . . . 6362 1 712 . 1 1 136 136 LEU HD11 H 1 0.968 . . 2 . . . . . . . . 6362 1 713 . 1 1 136 136 LEU HD12 H 1 0.968 . . 2 . . . . . . . . 6362 1 714 . 1 1 136 136 LEU HD13 H 1 0.968 . . 2 . . . . . . . . 6362 1 715 . 1 1 136 136 LEU HD21 H 1 0.772 . . 2 . . . . . . . . 6362 1 716 . 1 1 136 136 LEU HD22 H 1 0.772 . . 2 . . . . . . . . 6362 1 717 . 1 1 136 136 LEU HD23 H 1 0.772 . . 2 . . . . . . . . 6362 1 718 . 1 1 136 136 LEU CD1 C 13 26.233 . . 2 . . . . . . . . 6362 1 719 . 1 1 136 136 LEU CD2 C 13 24.398 . . 2 . . . . . . . . 6362 1 720 . 1 1 136 136 LEU N N 15 121.408 . . 1 . . . . . . . . 6362 1 721 . 1 1 136 136 LEU CA C 13 58.3383 . . 1 . . . . . . . . 6362 1 722 . 1 1 136 136 LEU CB C 13 40.2883 . . 1 . . . . . . . . 6362 1 723 . 1 1 137 137 GLU H H 1 8.172 . . 1 . . . . . . . . 6362 1 724 . 1 1 137 137 GLU N N 15 115.927 . . 1 . . . . . . . . 6362 1 725 . 1 1 137 137 GLU CA C 13 59.6383 . . 1 . . . . . . . . 6362 1 726 . 1 1 137 137 GLU CB C 13 29.0683 . . 1 . . . . . . . . 6362 1 727 . 1 1 138 138 LYS H H 1 7.761 . . 1 . . . . . . . . 6362 1 728 . 1 1 138 138 LYS N N 15 117.822 . . 1 . . . . . . . . 6362 1 729 . 1 1 138 138 LYS CA C 13 58.2303 . . 1 . . . . . . . . 6362 1 730 . 1 1 138 138 LYS CB C 13 31.7883 . . 1 . . . . . . . . 6362 1 731 . 1 1 139 139 GLY H H 1 8.431 . . 1 . . . . . . . . 6362 1 732 . 1 1 139 139 GLY N N 15 106.505 . . 1 . . . . . . . . 6362 1 733 . 1 1 139 139 GLY CA C 13 46.8883 . . 1 . . . . . . . . 6362 1 734 . 1 1 140 140 VAL H H 1 7.682 . . 1 . . . . . . . . 6362 1 735 . 1 1 140 140 VAL HG11 H 1 0.902 . . 2 . . . . . . . . 6362 1 736 . 1 1 140 140 VAL HG12 H 1 0.902 . . 2 . . . . . . . . 6362 1 737 . 1 1 140 140 VAL HG13 H 1 0.902 . . 2 . . . . . . . . 6362 1 738 . 1 1 140 140 VAL HG21 H 1 0.851 . . 2 . . . . . . . . 6362 1 739 . 1 1 140 140 VAL HG22 H 1 0.851 . . 2 . . . . . . . . 6362 1 740 . 1 1 140 140 VAL HG23 H 1 0.851 . . 2 . . . . . . . . 6362 1 741 . 1 1 140 140 VAL CG1 C 13 18.920 . . 2 . . . . . . . . 6362 1 742 . 1 1 140 140 VAL CG2 C 13 21.592 . . 2 . . . . . . . . 6362 1 743 . 1 1 140 140 VAL N N 15 109.281 . . 1 . . . . . . . . 6362 1 744 . 1 1 140 140 VAL CA C 13 61.2993 . . 1 . . . . . . . . 6362 1 745 . 1 1 140 140 VAL CB C 13 31.5103 . . 1 . . . . . . . . 6362 1 746 . 1 1 141 141 ALA H H 1 7.500 . . 1 . . . . . . . . 6362 1 747 . 1 1 141 141 ALA N N 15 124.235 . . 1 . . . . . . . . 6362 1 748 . 1 1 141 141 ALA CA C 13 52.7353 . . 1 . . . . . . . . 6362 1 749 . 1 1 141 141 ALA CB C 13 18.6233 . . 1 . . . . . . . . 6362 1 750 . 1 1 142 142 LYS CA C 13 56.5663 . . 1 . . . . . . . . 6362 1 751 . 1 1 142 142 LYS CB C 13 32.6873 . . 1 . . . . . . . . 6362 1 752 . 1 1 143 143 GLU H H 1 8.490 . . 1 . . . . . . . . 6362 1 753 . 1 1 143 143 GLU N N 15 121.660 . . 1 . . . . . . . . 6362 1 754 . 1 1 143 143 GLU CA C 13 56.3843 . . 1 . . . . . . . . 6362 1 755 . 1 1 143 143 GLU CB C 13 29.8753 . . 1 . . . . . . . . 6362 1 756 . 1 1 144 144 GLU H H 1 8.550 . . 1 . . . . . . . . 6362 1 757 . 1 1 144 144 GLU N N 15 122.327 . . 1 . . . . . . . . 6362 1 758 . 1 1 144 144 GLU CA C 13 56.5983 . . 1 . . . . . . . . 6362 1 759 . 1 1 144 144 GLU CB C 13 29.7483 . . 1 . . . . . . . . 6362 1 760 . 1 1 145 145 GLY H H 1 8.550 . . 1 . . . . . . . . 6362 1 761 . 1 1 145 145 GLY N N 15 110.207 . . 1 . . . . . . . . 6362 1 762 . 1 1 145 145 GLY CA C 13 45.3123 . . 1 . . . . . . . . 6362 1 763 . 1 1 146 146 GLY CA C 13 45.2323 . . 1 . . . . . . . . 6362 1 764 . 1 1 147 147 ASN CA C 13 53.2783 . . 1 . . . . . . . . 6362 1 765 . 1 1 147 147 ASN CB C 13 38.5363 . . 1 . . . . . . . . 6362 1 stop_ save_