data_5842 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5842 _Entry.Title ; Backbone and side chain 1H, 13C, and 15N chemical shift assignments for Haemophilus influenza protein IR24 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-06-24 _Entry.Accession_date 2003-06-25 _Entry.Last_release_date . _Entry.Original_release_date . _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 Theresa Ramelot . A. . 5842 2 Michael Kennedy . A. . 5842 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5842 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 723 5842 '13C chemical shifts' 448 5842 '15N chemical shifts' 116 5842 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-07-13 2003-06-24 update BMRB 'added time domain data' 5842 1 . . 2005-05-03 2003-06-24 original author 'original release' 5842 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5842 _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. . 5842 1 2 J. Cort . R. . 5842 1 3 S. Goldsmith-Fischman . . . 5842 1 4 G. Kornhaber . J. . 5842 1 5 R. Xiao . . . 5842 1 6 R. Shastry . . . 5842 1 7 T. Acton . B. . 5842 1 8 B. Honig . . . 5842 1 9 G. Montelione . T. . 5842 1 10 M. Kennedy . A. . 5842 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5842 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12565051 _Citation.Full_citation ; 1: Schwieters CD, Kuszewski JJ, Tjandra N, Marius Clore G. J Magn Reson. 2003 Jan;160(1):65-73. ; _Citation.Title 'The Xplor-NIH NMR molecular structure determination package.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Magn. Reson.' _Citation.Journal_name_full 'Journal of magnetic resonance (San Diego, Calif. : 1997)' _Citation.Journal_volume 160 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1090-7807 _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 65 _Citation.Page_last 73 _Citation.Year 2003 _Citation.Details ; We announce the availability of the Xplor-NIH software package for NMR biomolecular structure determination. This package consists of the pre-existing XPLOR program, along with many NMR-specific extensions developed at the NIH. In addition to many features which have been developed over the last 20 years, the Xplor-NIH package contains an interface with a new programmatic framework written in C++. This interface currently supports the general purpose scripting languages Python and TCL, enabling rapid development of new tools, such as new potential energy terms and new optimization methods. Support for these scripting languages also facilitates interaction with existing external programs for structure analysis, structure manipulation, visualization, and spectral analysis. ; 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 'Charles D' Schwieters C. D. . 5842 2 2 'John J' Kuszewski J. J. . 5842 2 3 Nico Tjandra N. . . 5842 2 4 'G Marius' Clore G. M. . 5842 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_IR24 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_IR24 _Assembly.Entry_ID 5842 _Assembly.ID 1 _Assembly.Name IR24 _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 free' _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 5842 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 IR24 1 $IR24 . . . native . . . . . 5842 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1Q48 . . . . . . 5842 1 . PDB 1R9P . . . . . . 5842 1 . SPTR NIFU_HAEIN . . . . . . 5842 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID IR24 system 5842 1 IR24 abbreviation 5842 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; MAY BE INVOLVED IN THE FORMATION OR REPAIR OF [FE-S] CLUSTERS PRESENT IN IRON-SULFUR PROTEINS (POTENTIAL). ; 5842 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IR24 _Entity.Sf_category entity _Entity.Sf_framecode IR24 _Entity.Entry_ID 5842 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IR24 _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 ; MAYSEKVIDHYENPRNVGSL DKKDSNVGTGMVGAPACGDV MQLQIKVDDNGIIEDAKFKT YGCGSAIASSSLITEWVKGK SLEEAGAIKNSQIAEELELP PVKVHCSILAEDAIKAAIAD YKAKQGLEHHHHHH ; _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 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14500 _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 1Q48 . "Solution Nmr Structure Of The Haemophilus Influenzae Iron-sulfur Cluster Assembly Protein U (iscu) With Zinc Bound At The Activ" . . . . . 100.00 134 100.00 100.00 1.10e-91 . . . . 5842 1 2 no PDB 1R9P . "Solution Nmr Structure Of The Haemophilus Influenzae Iron-sulfur Cluster Assembly Protein U (iscu) With Zinc Bound At The Activ" . . . . . 100.00 134 100.00 100.00 1.10e-91 . . . . 5842 1 3 no EMBL CBW28676 . "scaffold protein [Haemophilus influenzae 10810]" . . . . . 94.03 126 100.00 100.00 7.37e-85 . . . . 5842 1 4 no EMBL CBY80560 . "NifU-like protein [Haemophilus influenzae F3031]" . . . . . 94.03 126 100.00 100.00 7.37e-85 . . . . 5842 1 5 no EMBL CBY86563 . "NifU-like protein [Haemophilus influenzae F3047]" . . . . . 94.03 127 100.00 100.00 7.13e-85 . . . . 5842 1 6 no GB AAC22034 . "iscU protein (iscU) [Haemophilus influenzae Rd KW20]" . . . . . 94.03 126 100.00 100.00 7.37e-85 . . . . 5842 1 7 no GB AAX87432 . "NifU-like protein [Haemophilus influenzae 86-028NP]" . . . . . 94.03 126 100.00 100.00 7.37e-85 . . . . 5842 1 8 no GB ABQ97710 . "NifU-like protein [Haemophilus influenzae PittEE]" . . . . . 94.03 126 100.00 100.00 7.37e-85 . . . . 5842 1 9 no GB ABQ99885 . "hypothetical protein CGSHiGG_04695 [Haemophilus influenzae PittGG]" . . . . . 94.03 126 100.00 100.00 7.37e-85 . . . . 5842 1 10 no GB ADO80188 . "Fe-S scaffold protein IscU [Haemophilus influenzae R2866]" . . . . . 94.03 138 100.00 100.00 3.58e-85 . . . . 5842 1 11 no PIR C64064 . "iron-sulfur cofactor synthesis protein nifU homolog HI0377 [similarity] - Haemophilus influenzae (strain Rd KW20)" . . . . . 94.03 151 100.00 100.00 5.49e-85 . . . . 5842 1 12 no REF NP_438538 . "scaffold protein [Haemophilus influenzae Rd KW20]" . . . . . 94.03 138 100.00 100.00 3.58e-85 . . . . 5842 1 13 no REF WP_005649165 . "NifU-like protein [Haemophilus influenzae]" . . . . . 71.64 96 100.00 100.00 1.49e-60 . . . . 5842 1 14 no REF WP_005654861 . "MULTISPECIES: FeS cluster assembly scaffold IscU [Haemophilus]" . . . . . 94.03 126 100.00 100.00 7.37e-85 . . . . 5842 1 15 no REF WP_005666597 . "FeS cluster assembly scaffold IscU [Haemophilus influenzae]" . . . . . 94.03 126 99.21 99.21 1.89e-83 . . . . 5842 1 16 no REF WP_005691745 . "FeS cluster assembly scaffold IscU [Haemophilus influenzae]" . . . . . 94.03 138 100.00 100.00 3.58e-85 . . . . 5842 1 17 no SP Q57074 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU [Haemophilus influ" . . . . . 94.03 126 100.00 100.00 7.37e-85 . . . . 5842 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID IR24 common 5842 1 IR24 abbreviation 5842 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 . 5842 1 2 . ALA . 5842 1 3 . TYR . 5842 1 4 . SER . 5842 1 5 . GLU . 5842 1 6 . LYS . 5842 1 7 . VAL . 5842 1 8 . ILE . 5842 1 9 . ASP . 5842 1 10 . HIS . 5842 1 11 . TYR . 5842 1 12 . GLU . 5842 1 13 . ASN . 5842 1 14 . PRO . 5842 1 15 . ARG . 5842 1 16 . ASN . 5842 1 17 . VAL . 5842 1 18 . GLY . 5842 1 19 . SER . 5842 1 20 . LEU . 5842 1 21 . ASP . 5842 1 22 . LYS . 5842 1 23 . LYS . 5842 1 24 . ASP . 5842 1 25 . SER . 5842 1 26 . ASN . 5842 1 27 . VAL . 5842 1 28 . GLY . 5842 1 29 . THR . 5842 1 30 . GLY . 5842 1 31 . MET . 5842 1 32 . VAL . 5842 1 33 . GLY . 5842 1 34 . ALA . 5842 1 35 . PRO . 5842 1 36 . ALA . 5842 1 37 . CYS . 5842 1 38 . GLY . 5842 1 39 . ASP . 5842 1 40 . VAL . 5842 1 41 . MET . 5842 1 42 . GLN . 5842 1 43 . LEU . 5842 1 44 . GLN . 5842 1 45 . ILE . 5842 1 46 . LYS . 5842 1 47 . VAL . 5842 1 48 . ASP . 5842 1 49 . ASP . 5842 1 50 . ASN . 5842 1 51 . GLY . 5842 1 52 . ILE . 5842 1 53 . ILE . 5842 1 54 . GLU . 5842 1 55 . ASP . 5842 1 56 . ALA . 5842 1 57 . LYS . 5842 1 58 . PHE . 5842 1 59 . LYS . 5842 1 60 . THR . 5842 1 61 . TYR . 5842 1 62 . GLY . 5842 1 63 . CYS . 5842 1 64 . GLY . 5842 1 65 . SER . 5842 1 66 . ALA . 5842 1 67 . ILE . 5842 1 68 . ALA . 5842 1 69 . SER . 5842 1 70 . SER . 5842 1 71 . SER . 5842 1 72 . LEU . 5842 1 73 . ILE . 5842 1 74 . THR . 5842 1 75 . GLU . 5842 1 76 . TRP . 5842 1 77 . VAL . 5842 1 78 . LYS . 5842 1 79 . GLY . 5842 1 80 . LYS . 5842 1 81 . SER . 5842 1 82 . LEU . 5842 1 83 . GLU . 5842 1 84 . GLU . 5842 1 85 . ALA . 5842 1 86 . GLY . 5842 1 87 . ALA . 5842 1 88 . ILE . 5842 1 89 . LYS . 5842 1 90 . ASN . 5842 1 91 . SER . 5842 1 92 . GLN . 5842 1 93 . ILE . 5842 1 94 . ALA . 5842 1 95 . GLU . 5842 1 96 . GLU . 5842 1 97 . LEU . 5842 1 98 . GLU . 5842 1 99 . LEU . 5842 1 100 . PRO . 5842 1 101 . PRO . 5842 1 102 . VAL . 5842 1 103 . LYS . 5842 1 104 . VAL . 5842 1 105 . HIS . 5842 1 106 . CYS . 5842 1 107 . SER . 5842 1 108 . ILE . 5842 1 109 . LEU . 5842 1 110 . ALA . 5842 1 111 . GLU . 5842 1 112 . ASP . 5842 1 113 . ALA . 5842 1 114 . ILE . 5842 1 115 . LYS . 5842 1 116 . ALA . 5842 1 117 . ALA . 5842 1 118 . ILE . 5842 1 119 . ALA . 5842 1 120 . ASP . 5842 1 121 . TYR . 5842 1 122 . LYS . 5842 1 123 . ALA . 5842 1 124 . LYS . 5842 1 125 . GLN . 5842 1 126 . GLY . 5842 1 127 . LEU . 5842 1 128 . GLU . 5842 1 129 . HIS . 5842 1 130 . HIS . 5842 1 131 . HIS . 5842 1 132 . HIS . 5842 1 133 . HIS . 5842 1 134 . HIS . 5842 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 5842 1 . ALA 2 2 5842 1 . TYR 3 3 5842 1 . SER 4 4 5842 1 . GLU 5 5 5842 1 . LYS 6 6 5842 1 . VAL 7 7 5842 1 . ILE 8 8 5842 1 . ASP 9 9 5842 1 . HIS 10 10 5842 1 . TYR 11 11 5842 1 . GLU 12 12 5842 1 . ASN 13 13 5842 1 . PRO 14 14 5842 1 . ARG 15 15 5842 1 . ASN 16 16 5842 1 . VAL 17 17 5842 1 . GLY 18 18 5842 1 . SER 19 19 5842 1 . LEU 20 20 5842 1 . ASP 21 21 5842 1 . LYS 22 22 5842 1 . LYS 23 23 5842 1 . ASP 24 24 5842 1 . SER 25 25 5842 1 . ASN 26 26 5842 1 . VAL 27 27 5842 1 . GLY 28 28 5842 1 . THR 29 29 5842 1 . GLY 30 30 5842 1 . MET 31 31 5842 1 . VAL 32 32 5842 1 . GLY 33 33 5842 1 . ALA 34 34 5842 1 . PRO 35 35 5842 1 . ALA 36 36 5842 1 . CYS 37 37 5842 1 . GLY 38 38 5842 1 . ASP 39 39 5842 1 . VAL 40 40 5842 1 . MET 41 41 5842 1 . GLN 42 42 5842 1 . LEU 43 43 5842 1 . GLN 44 44 5842 1 . ILE 45 45 5842 1 . LYS 46 46 5842 1 . VAL 47 47 5842 1 . ASP 48 48 5842 1 . ASP 49 49 5842 1 . ASN 50 50 5842 1 . GLY 51 51 5842 1 . ILE 52 52 5842 1 . ILE 53 53 5842 1 . GLU 54 54 5842 1 . ASP 55 55 5842 1 . ALA 56 56 5842 1 . LYS 57 57 5842 1 . PHE 58 58 5842 1 . LYS 59 59 5842 1 . THR 60 60 5842 1 . TYR 61 61 5842 1 . GLY 62 62 5842 1 . CYS 63 63 5842 1 . GLY 64 64 5842 1 . SER 65 65 5842 1 . ALA 66 66 5842 1 . ILE 67 67 5842 1 . ALA 68 68 5842 1 . SER 69 69 5842 1 . SER 70 70 5842 1 . SER 71 71 5842 1 . LEU 72 72 5842 1 . ILE 73 73 5842 1 . THR 74 74 5842 1 . GLU 75 75 5842 1 . TRP 76 76 5842 1 . VAL 77 77 5842 1 . LYS 78 78 5842 1 . GLY 79 79 5842 1 . LYS 80 80 5842 1 . SER 81 81 5842 1 . LEU 82 82 5842 1 . GLU 83 83 5842 1 . GLU 84 84 5842 1 . ALA 85 85 5842 1 . GLY 86 86 5842 1 . ALA 87 87 5842 1 . ILE 88 88 5842 1 . LYS 89 89 5842 1 . ASN 90 90 5842 1 . SER 91 91 5842 1 . GLN 92 92 5842 1 . ILE 93 93 5842 1 . ALA 94 94 5842 1 . GLU 95 95 5842 1 . GLU 96 96 5842 1 . LEU 97 97 5842 1 . GLU 98 98 5842 1 . LEU 99 99 5842 1 . PRO 100 100 5842 1 . PRO 101 101 5842 1 . VAL 102 102 5842 1 . LYS 103 103 5842 1 . VAL 104 104 5842 1 . HIS 105 105 5842 1 . CYS 106 106 5842 1 . SER 107 107 5842 1 . ILE 108 108 5842 1 . LEU 109 109 5842 1 . ALA 110 110 5842 1 . GLU 111 111 5842 1 . ASP 112 112 5842 1 . ALA 113 113 5842 1 . ILE 114 114 5842 1 . LYS 115 115 5842 1 . ALA 116 116 5842 1 . ALA 117 117 5842 1 . ILE 118 118 5842 1 . ALA 119 119 5842 1 . ASP 120 120 5842 1 . TYR 121 121 5842 1 . LYS 122 122 5842 1 . ALA 123 123 5842 1 . LYS 124 124 5842 1 . GLN 125 125 5842 1 . GLY 126 126 5842 1 . LEU 127 127 5842 1 . GLU 128 128 5842 1 . HIS 129 129 5842 1 . HIS 130 130 5842 1 . HIS 131 131 5842 1 . HIS 132 132 5842 1 . HIS 133 133 5842 1 . HIS 134 134 5842 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5842 _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 $IR24 . 727 organism . 'Haemophilus influenza' 'haemophilus influenza' . . Eubacteria . Haemophilus influenza . . . . . . . . . . . . . . pET15b . NIFU_HAEIN . . . . 5842 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 5842 _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 $IR24 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5842 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5842 _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 IR24 '[U-15N; U-13C]' . . 1 $IR24 . . 1 . . mM . . . . 5842 1 2 MES . . . . . . . 20 . . mM . . . . 5842 1 3 NaCl . . . . . . . 100 . . mM . . . . 5842 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5842 _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 IR24 [U-15N] . . 1 $IR24 . . 1 . . mM . . . . 5842 2 2 MES . . . . . . . 20 . . mM . . . . 5842 2 3 NaCl . . . . . . . 100 . . mM . . . . 5842 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5842 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 IR24 '[U-5% 13C; U-100% 15N]' . . 1 $IR24 . . 1 . . mM . . . . 5842 3 2 MES . . . . . . . 20 . . mM . . . . 5842 3 3 NaCl . . . . . . . 100 . . mM . . . . 5842 3 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5842 _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 0.1 n/a 5842 1 temperature 293 1 K 5842 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 5842 _Software.ID 1 _Software.Name Felix _Software.Version 98 _Software.Details MSI loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing data' 5842 1 stop_ save_ save_XPLOR_NIH _Software.Sf_category software _Software.Sf_framecode XPLOR_NIH _Software.Entry_ID 5842 _Software.ID 2 _Software.Name 'XPLOR NIH' _Software.Version 2.0.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculations' 5842 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 5842 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5842 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer INOVA _NMR_spectrometer.Model Varian _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5842 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer INOVA _NMR_spectrometer.Model Varian _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5842 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer INOVA _NMR_spectrometer.Model Varian _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 5842 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer INOVA _NMR_spectrometer.Model Varian _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5842 _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_1 INOVA Varian . 500 . . . 5842 1 2 NMR_spectrometer_2 INOVA Varian . 600 . . . 5842 1 3 NMR_spectrometer_3 INOVA Varian . 750 . . . 5842 1 4 NMR_spectrometer_4 INOVA Varian . 800 . . . 5842 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 5842 _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 '1H-15N HSQC' yes 1 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 2 '1H-13C HSQC (aliph)' yes 2 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 3 '15N-edited NOESY-HQSC' yes 3 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 4 HCC-TOCSY-NNH yes 4 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 5 HCCH-TOCSY yes 5 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 6 '13C-edited-NOESY-HSQC (aliph)' yes 6 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 7 CBCACOCAHA yes 7 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 8 HNCA yes 8 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 9 HN(CO)CA yes 9 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 10 HNCO yes 10 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 11 HNCACB yes 11 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 12 CBCA(CO)NH yes 12 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 13 CC-TOCSY-NNH yes 13 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 14 HNHA yes 14 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 15 '4D CC-NOESY' yes 15 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 16 '1H-13C HSQC (arom)' yes 16 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 17 '13C-edited-NOESY-HSQC (arom)' yes 17 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 18 '1H-13C HSQC (alpha)' yes 18 . . . . . . . . . . . . . . 1 $cond_1 . . . . . . . . . . . . . . . . . . . . . 5842 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hsqc_4_15_03.fid/' . . . . . . . 5842 1 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hsqc_4_15_03.fid/' . . . . . . . 5842 1 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hsqc_4_15_03.fid/' . . . . . . . 5842 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C HSQC (aliph)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_hsqc_aliph_12_18_02.fid/' . . . . . . . 5842 2 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_hsqc_aliph_12_18_02.fid/' . . . . . . . 5842 2 gChsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_hsqc_aliph_12_18_02.fid/' . . . . . . . 5842 2 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_hsqc_aliph_12_18_02.fid/' . . . . . . . 5842 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '15N-edited NOESY-HQSC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_n15_noesy_12_21_02.fid/' . . . . . . . 5842 3 gnoesyNhsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_n15_noesy_12_21_02.fid/' . . . . . . . 5842 3 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_n15_noesy_12_21_02.fid/' . . . . . . . 5842 3 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_n15_noesy_12_21_02.fid/' . . . . . . . 5842 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCC-TOCSY-NNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hcc_tocsy_nnh_12_12_02.fid/' . . . . . . . 5842 4 ghc_co_nh.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hcc_tocsy_nnh_12_12_02.fid/' . . . . . . . 5842 4 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hcc_tocsy_nnh_12_12_02.fid/' . . . . . . . 5842 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hcc_tocsy_nnh_12_12_02.fid/' . . . . . . . 5842 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_d2o_hcch_tocsy_1_28_03.fid/' . . . . . . . 5842 5 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_d2o_hcch_tocsy_1_28_03.fid/' . . . . . . . 5842 5 hcchtocsy_3c_pfg_500.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_d2o_hcch_tocsy_1_28_03.fid/' . . . . . . . 5842 5 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_d2o_hcch_tocsy_1_28_03.fid/' . . . . . . . 5842 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '13C-edited-NOESY-HSQC (aliph)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_noesy_80ms_aliph_2_1_03.fid/' . . . . . . . 5842 6 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_noesy_80ms_aliph_2_1_03.fid/' . . . . . . . 5842 6 gnoesyChsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_noesy_80ms_aliph_2_1_03.fid/' . . . . . . . 5842 6 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_noesy_80ms_aliph_2_1_03.fid/' . . . . . . . 5842 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCACOCAHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_d2o_cbcacocaha_01_24_03.fid/' . . . . . . . 5842 7 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_d2o_cbcacocaha_01_24_03.fid/' . . . . . . . 5842 7 hbcbcacocaha_3c_pfg1+_500.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_d2o_cbcacocaha_01_24_03.fid/' . . . . . . . 5842 7 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_d2o_cbcacocaha_01_24_03.fid/' . . . . . . . 5842 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hnca_12_6_02.fid/' . . . . . . . 5842 8 ghn_ca.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hnca_12_6_02.fid/' . . . . . . . 5842 8 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hnca_12_6_02.fid/' . . . . . . . 5842 8 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hnca_12_6_02.fid/' . . . . . . . 5842 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hncoca_20deg_12_5_02.fid/' . . . . . . . 5842 9 ghn_co_ca.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hncoca_20deg_12_5_02.fid/' . . . . . . . 5842 9 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hncoca_20deg_12_5_02.fid/' . . . . . . . 5842 9 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hncoca_20deg_12_5_02.fid/' . . . . . . . 5842 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hnco_20deg_12_4_02.fid/' . . . . . . . 5842 10 hnco_3c_pfg_lek+_sel11_500.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hnco_20deg_12_4_02.fid/' . . . . . . . 5842 10 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hnco_20deg_12_4_02.fid/' . . . . . . . 5842 10 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hnco_20deg_12_4_02.fid/' . . . . . . . 5842 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hncacb_baker_12_15_02.fid/' . . . . . . . 5842 11 ghn_cacb.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hncacb_baker_12_15_02.fid/' . . . . . . . 5842 11 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hncacb_baker_12_15_02.fid/' . . . . . . . 5842 11 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hncacb_baker_12_15_02.fid/' . . . . . . . 5842 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_cbcaconnh_01_26_03.fid/' . . . . . . . 5842 12 gcbca_co_nh.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_cbcaconnh_01_26_03.fid/' . . . . . . . 5842 12 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_cbcaconnh_01_26_03.fid/' . . . . . . . 5842 12 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_cbcaconnh_01_26_03.fid/' . . . . . . . 5842 12 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name CC-TOCSY-NNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_ccc_tocsy_nnh_12_9_02.fid/' . . . . . . . 5842 13 gc_co_nh.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_ccc_tocsy_nnh_12_9_02.fid/' . . . . . . . 5842 13 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_ccc_tocsy_nnh_12_9_02.fid/' . . . . . . . 5842 13 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_ccc_tocsy_nnh_12_9_02.fid/' . . . . . . . 5842 13 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hnha_12_16_02.fid/' . . . . . . . 5842 14 ghnha.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hnha_12_16_02.fid/' . . . . . . . 5842 14 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_hnha_12_16_02.fid/' . . . . . . . 5842 14 stop_ save_ save_NMR_spectrometer_expt_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_15 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '4D CC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_4d_c13_noesy_12_31_02.fid/' . . . . . . . 5842 15 c4Dnoesy_d2o_pfg_500.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_4d_c13_noesy_12_31_02.fid/' . . . . . . . 5842 15 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_4d_c13_noesy_12_31_02.fid/' . . . . . . . 5842 15 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_4d_c13_noesy_12_31_02.fid/' . . . . . . . 5842 15 stop_ save_ save_NMR_spectrometer_expt_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_16 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '1H-13C HSQC (arom)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_hsqc_arom_12_4_02.fid/' . . . . . . . 5842 16 gChsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_hsqc_arom_12_4_02.fid/' . . . . . . . 5842 16 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_hsqc_arom_12_4_02.fid/' . . . . . . . 5842 16 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_hsqc_arom_12_4_02.fid/' . . . . . . . 5842 16 stop_ save_ save_NMR_spectrometer_expt_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_17 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name '13C-edited-NOESY-HSQC (arom)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_noesy_arom_1_28_03.fid/' . . . . . . . 5842 17 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_noesy_arom_1_28_03.fid/' . . . . . . . 5842 17 gnoesyChsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_noesy_arom_1_28_03.fid/' . . . . . . . 5842 17 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_noesy_arom_1_28_03.fid/' . . . . . . . 5842 17 stop_ save_ save_NMR_spectrometer_expt_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_18 _NMR_spec_expt.Entry_ID 5842 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name '1H-13C HSQC (alpha)' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_hsqc_alpha_12_4_02.fid/' . . . . . . . 5842 18 gChsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_hsqc_alpha_12_4_02.fid/' . . . . . . . 5842 18 origfid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_hsqc_alpha_12_4_02.fid/' . . . . . . . 5842 18 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr5842/timedomain_data/1Q48_bmrb5842.fids/ir24_c13_hsqc_alpha_12_4_02.fid/' . . . . . . . 5842 18 stop_ 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 5842 _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 1.0 . . . . . . . . . 5842 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5842 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5842 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set _Assigned_chem_shift_list.Entry_ID 5842 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5842 1 . . 2 $sample_2 . 5842 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 16 16 ASN C C 13 173.9 0.2 . 1 . . . . . . . . 5842 1 2 . 1 1 16 16 ASN CA C 13 54.5 0.2 . 1 . . . . . . . . 5842 1 3 . 1 1 16 16 ASN CB C 13 36.7 0.2 . 1 . . . . . . . . 5842 1 4 . 1 1 17 17 VAL H H 1 7.75 0.02 . 1 . . . . . . . . 5842 1 5 . 1 1 17 17 VAL HA H 1 3.46 0.02 . 1 . . . . . . . . 5842 1 6 . 1 1 17 17 VAL HB H 1 1.72 0.02 . 1 . . . . . . . . 5842 1 7 . 1 1 17 17 VAL HG11 H 1 0.53 0.02 . 2 . . . . . . . . 5842 1 8 . 1 1 17 17 VAL HG12 H 1 0.53 0.02 . 2 . . . . . . . . 5842 1 9 . 1 1 17 17 VAL HG13 H 1 0.53 0.02 . 2 . . . . . . . . 5842 1 10 . 1 1 17 17 VAL HG21 H 1 0.66 0.02 . 2 . . . . . . . . 5842 1 11 . 1 1 17 17 VAL HG22 H 1 0.66 0.02 . 2 . . . . . . . . 5842 1 12 . 1 1 17 17 VAL HG23 H 1 0.66 0.02 . 2 . . . . . . . . 5842 1 13 . 1 1 17 17 VAL C C 13 178.1 0.2 . 1 . . . . . . . . 5842 1 14 . 1 1 17 17 VAL CA C 13 62.4 0.2 . 1 . . . . . . . . 5842 1 15 . 1 1 17 17 VAL CB C 13 31.4 0.2 . 1 . . . . . . . . 5842 1 16 . 1 1 17 17 VAL CG1 C 13 22.5 0.2 . 2 . . . . . . . . 5842 1 17 . 1 1 17 17 VAL CG2 C 13 21.0 0.2 . 2 . . . . . . . . 5842 1 18 . 1 1 17 17 VAL N N 15 118.6 0.2 . 1 . . . . . . . . 5842 1 19 . 1 1 18 18 GLY H H 1 8.70 0.02 . 1 . . . . . . . . 5842 1 20 . 1 1 18 18 GLY HA2 H 1 3.71 0.02 . 2 . . . . . . . . 5842 1 21 . 1 1 18 18 GLY HA3 H 1 4.33 0.02 . 2 . . . . . . . . 5842 1 22 . 1 1 18 18 GLY C C 13 170.2 0.2 . 1 . . . . . . . . 5842 1 23 . 1 1 18 18 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 5842 1 24 . 1 1 18 18 GLY N N 15 116.3 0.2 . 1 . . . . . . . . 5842 1 25 . 1 1 19 19 SER H H 1 8.21 0.02 . 1 . . . . . . . . 5842 1 26 . 1 1 19 19 SER HA H 1 4.60 0.02 . 1 . . . . . . . . 5842 1 27 . 1 1 19 19 SER HB2 H 1 3.68 0.02 . 1 . . . . . . . . 5842 1 28 . 1 1 19 19 SER HB3 H 1 3.68 0.02 . 1 . . . . . . . . 5842 1 29 . 1 1 19 19 SER C C 13 174.6 0.2 . 1 . . . . . . . . 5842 1 30 . 1 1 19 19 SER CA C 13 57.2 0.2 . 1 . . . . . . . . 5842 1 31 . 1 1 19 19 SER CB C 13 65.9 0.2 . 1 . . . . . . . . 5842 1 32 . 1 1 19 19 SER N N 15 112.0 0.2 . 1 . . . . . . . . 5842 1 33 . 1 1 20 20 LEU H H 1 8.77 0.02 . 1 . . . . . . . . 5842 1 34 . 1 1 20 20 LEU HA H 1 4.50 0.02 . 1 . . . . . . . . 5842 1 35 . 1 1 20 20 LEU HB2 H 1 1.02 0.02 . 2 . . . . . . . . 5842 1 36 . 1 1 20 20 LEU HB3 H 1 1.41 0.02 . 2 . . . . . . . . 5842 1 37 . 1 1 20 20 LEU HG H 1 1.10 0.02 . 1 . . . . . . . . 5842 1 38 . 1 1 20 20 LEU HD11 H 1 0.52 0.02 . 2 . . . . . . . . 5842 1 39 . 1 1 20 20 LEU HD12 H 1 0.52 0.02 . 2 . . . . . . . . 5842 1 40 . 1 1 20 20 LEU HD13 H 1 0.52 0.02 . 2 . . . . . . . . 5842 1 41 . 1 1 20 20 LEU HD21 H 1 0.76 0.02 . 2 . . . . . . . . 5842 1 42 . 1 1 20 20 LEU HD22 H 1 0.76 0.02 . 2 . . . . . . . . 5842 1 43 . 1 1 20 20 LEU HD23 H 1 0.76 0.02 . 2 . . . . . . . . 5842 1 44 . 1 1 20 20 LEU C C 13 176.2 0.2 . 1 . . . . . . . . 5842 1 45 . 1 1 20 20 LEU CA C 13 52.5 0.2 . 1 . . . . . . . . 5842 1 46 . 1 1 20 20 LEU CB C 13 44.7 0.2 . 1 . . . . . . . . 5842 1 47 . 1 1 20 20 LEU CG C 13 27.0 0.2 . 1 . . . . . . . . 5842 1 48 . 1 1 20 20 LEU CD1 C 13 26.1 0.2 . 2 . . . . . . . . 5842 1 49 . 1 1 20 20 LEU CD2 C 13 23.1 0.2 . 2 . . . . . . . . 5842 1 50 . 1 1 20 20 LEU N N 15 122.2 0.2 . 1 . . . . . . . . 5842 1 51 . 1 1 21 21 ASP H H 1 8.66 0.02 . 1 . . . . . . . . 5842 1 52 . 1 1 21 21 ASP HA H 1 4.38 0.02 . 1 . . . . . . . . 5842 1 53 . 1 1 21 21 ASP HB2 H 1 2.54 0.02 . 2 . . . . . . . . 5842 1 54 . 1 1 21 21 ASP HB3 H 1 2.93 0.02 . 2 . . . . . . . . 5842 1 55 . 1 1 21 21 ASP C C 13 176.7 0.2 . 1 . . . . . . . . 5842 1 56 . 1 1 21 21 ASP CA C 13 54.5 0.2 . 1 . . . . . . . . 5842 1 57 . 1 1 21 21 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 5842 1 58 . 1 1 21 21 ASP N N 15 121.3 0.2 . 1 . . . . . . . . 5842 1 59 . 1 1 22 22 LYS H H 1 8.31 0.02 . 1 . . . . . . . . 5842 1 60 . 1 1 22 22 LYS HA H 1 3.67 0.02 . 1 . . . . . . . . 5842 1 61 . 1 1 22 22 LYS HB2 H 1 1.83 0.02 . 1 . . . . . . . . 5842 1 62 . 1 1 22 22 LYS HB3 H 1 1.83 0.02 . 1 . . . . . . . . 5842 1 63 . 1 1 22 22 LYS HG2 H 1 1.37 0.02 . 2 . . . . . . . . 5842 1 64 . 1 1 22 22 LYS HG3 H 1 1.48 0.02 . 2 . . . . . . . . 5842 1 65 . 1 1 22 22 LYS HD2 H 1 1.74 0.02 . 1 . . . . . . . . 5842 1 66 . 1 1 22 22 LYS HD3 H 1 1.74 0.02 . 1 . . . . . . . . 5842 1 67 . 1 1 22 22 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 5842 1 68 . 1 1 22 22 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 5842 1 69 . 1 1 22 22 LYS C C 13 177.5 0.2 . 1 . . . . . . . . 5842 1 70 . 1 1 22 22 LYS CA C 13 58.8 0.2 . 1 . . . . . . . . 5842 1 71 . 1 1 22 22 LYS CB C 13 32.5 0.2 . 1 . . . . . . . . 5842 1 72 . 1 1 22 22 LYS CG C 13 26.1 0.2 . 1 . . . . . . . . 5842 1 73 . 1 1 22 22 LYS CD C 13 29.7 0.2 . 1 . . . . . . . . 5842 1 74 . 1 1 22 22 LYS CE C 13 41.6 0.2 . 1 . . . . . . . . 5842 1 75 . 1 1 22 22 LYS N N 15 125.0 0.2 . 1 . . . . . . . . 5842 1 76 . 1 1 23 23 LYS H H 1 8.43 0.02 . 1 . . . . . . . . 5842 1 77 . 1 1 23 23 LYS HA H 1 4.08 0.02 . 1 . . . . . . . . 5842 1 78 . 1 1 23 23 LYS HB2 H 1 1.84 0.02 . 1 . . . . . . . . 5842 1 79 . 1 1 23 23 LYS HB3 H 1 1.84 0.02 . 1 . . . . . . . . 5842 1 80 . 1 1 23 23 LYS HG2 H 1 1.41 0.02 . 1 . . . . . . . . 5842 1 81 . 1 1 23 23 LYS HG3 H 1 1.41 0.02 . 1 . . . . . . . . 5842 1 82 . 1 1 23 23 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 5842 1 83 . 1 1 23 23 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 5842 1 84 . 1 1 23 23 LYS HE2 H 1 2.99 0.02 . 1 . . . . . . . . 5842 1 85 . 1 1 23 23 LYS HE3 H 1 2.99 0.02 . 1 . . . . . . . . 5842 1 86 . 1 1 23 23 LYS C C 13 177.2 0.2 . 1 . . . . . . . . 5842 1 87 . 1 1 23 23 LYS CA C 13 56.9 0.2 . 1 . . . . . . . . 5842 1 88 . 1 1 23 23 LYS CB C 13 31.5 0.2 . 1 . . . . . . . . 5842 1 89 . 1 1 23 23 LYS CG C 13 24.9 0.2 . 1 . . . . . . . . 5842 1 90 . 1 1 23 23 LYS CD C 13 28.7 0.2 . 1 . . . . . . . . 5842 1 91 . 1 1 23 23 LYS CE C 13 41.1 0.2 . 1 . . . . . . . . 5842 1 92 . 1 1 23 23 LYS N N 15 117.0 0.2 . 1 . . . . . . . . 5842 1 93 . 1 1 24 24 ASP H H 1 7.40 0.02 . 1 . . . . . . . . 5842 1 94 . 1 1 24 24 ASP HA H 1 4.51 0.02 . 1 . . . . . . . . 5842 1 95 . 1 1 24 24 ASP HB2 H 1 2.59 0.02 . 2 . . . . . . . . 5842 1 96 . 1 1 24 24 ASP HB3 H 1 3.05 0.02 . 2 . . . . . . . . 5842 1 97 . 1 1 24 24 ASP C C 13 178.3 0.2 . 1 . . . . . . . . 5842 1 98 . 1 1 24 24 ASP CA C 13 54.3 0.2 . 1 . . . . . . . . 5842 1 99 . 1 1 24 24 ASP CB C 13 41.8 0.2 . 1 . . . . . . . . 5842 1 100 . 1 1 24 24 ASP N N 15 121.8 0.2 . 1 . . . . . . . . 5842 1 101 . 1 1 25 25 SER H H 1 8.93 0.02 . 1 . . . . . . . . 5842 1 102 . 1 1 25 25 SER HA H 1 4.18 0.02 . 1 . . . . . . . . 5842 1 103 . 1 1 25 25 SER HB2 H 1 3.88 0.02 . 1 . . . . . . . . 5842 1 104 . 1 1 25 25 SER HB3 H 1 3.88 0.02 . 1 . . . . . . . . 5842 1 105 . 1 1 25 25 SER C C 13 172.9 0.2 . 1 . . . . . . . . 5842 1 106 . 1 1 25 25 SER CA C 13 61.2 0.2 . 1 . . . . . . . . 5842 1 107 . 1 1 25 25 SER CB C 13 63.1 0.2 . 1 . . . . . . . . 5842 1 108 . 1 1 25 25 SER N N 15 124.0 0.2 . 1 . . . . . . . . 5842 1 109 . 1 1 26 26 ASN H H 1 8.77 0.02 . 1 . . . . . . . . 5842 1 110 . 1 1 26 26 ASN HA H 1 5.06 0.02 . 1 . . . . . . . . 5842 1 111 . 1 1 26 26 ASN HB2 H 1 3.00 0.02 . 2 . . . . . . . . 5842 1 112 . 1 1 26 26 ASN HB3 H 1 3.47 0.02 . 2 . . . . . . . . 5842 1 113 . 1 1 26 26 ASN HD21 H 1 7.96 0.02 . 2 . . . . . . . . 5842 1 114 . 1 1 26 26 ASN HD22 H 1 7.01 0.02 . 2 . . . . . . . . 5842 1 115 . 1 1 26 26 ASN C C 13 173.3 0.2 . 1 . . . . . . . . 5842 1 116 . 1 1 26 26 ASN CA C 13 53.0 0.2 . 1 . . . . . . . . 5842 1 117 . 1 1 26 26 ASN CB C 13 38.5 0.2 . 1 . . . . . . . . 5842 1 118 . 1 1 26 26 ASN N N 15 115.8 0.2 . 1 . . . . . . . . 5842 1 119 . 1 1 26 26 ASN ND2 N 15 115.9 0.2 . 1 . . . . . . . . 5842 1 120 . 1 1 27 27 VAL H H 1 7.48 0.02 . 1 . . . . . . . . 5842 1 121 . 1 1 27 27 VAL HA H 1 5.43 0.02 . 1 . . . . . . . . 5842 1 122 . 1 1 27 27 VAL HB H 1 2.07 0.02 . 1 . . . . . . . . 5842 1 123 . 1 1 27 27 VAL HG11 H 1 0.63 0.02 . 1 . . . . . . . . 5842 1 124 . 1 1 27 27 VAL HG12 H 1 0.63 0.02 . 1 . . . . . . . . 5842 1 125 . 1 1 27 27 VAL HG13 H 1 0.63 0.02 . 1 . . . . . . . . 5842 1 126 . 1 1 27 27 VAL HG21 H 1 0.92 0.02 . 1 . . . . . . . . 5842 1 127 . 1 1 27 27 VAL HG22 H 1 0.92 0.02 . 1 . . . . . . . . 5842 1 128 . 1 1 27 27 VAL HG23 H 1 0.92 0.02 . 1 . . . . . . . . 5842 1 129 . 1 1 27 27 VAL C C 13 176.7 0.2 . 1 . . . . . . . . 5842 1 130 . 1 1 27 27 VAL CA C 13 59.9 0.2 . 1 . . . . . . . . 5842 1 131 . 1 1 27 27 VAL CB C 13 34.6 0.2 . 1 . . . . . . . . 5842 1 132 . 1 1 27 27 VAL CG1 C 13 21.1 0.2 . 1 . . . . . . . . 5842 1 133 . 1 1 27 27 VAL CG2 C 13 23.0 0.2 . 1 . . . . . . . . 5842 1 134 . 1 1 27 27 VAL N N 15 119.8 0.2 . 1 . . . . . . . . 5842 1 135 . 1 1 28 28 GLY H H 1 8.91 0.02 . 1 . . . . . . . . 5842 1 136 . 1 1 28 28 GLY HA2 H 1 3.78 0.02 . 2 . . . . . . . . 5842 1 137 . 1 1 28 28 GLY HA3 H 1 5.12 0.02 . 2 . . . . . . . . 5842 1 138 . 1 1 28 28 GLY C C 13 172.9 0.2 . 1 . . . . . . . . 5842 1 139 . 1 1 28 28 GLY CA C 13 44.0 0.2 . 1 . . . . . . . . 5842 1 140 . 1 1 28 28 GLY N N 15 112.7 0.2 . 1 . . . . . . . . 5842 1 141 . 1 1 29 29 THR H H 1 10.55 0.02 . 1 . . . . . . . . 5842 1 142 . 1 1 29 29 THR HA H 1 5.00 0.02 . 1 . . . . . . . . 5842 1 143 . 1 1 29 29 THR HB H 1 3.95 0.02 . 1 . . . . . . . . 5842 1 144 . 1 1 29 29 THR HG1 H 1 6.23 0.02 . 1 . . . . . . . . 5842 1 145 . 1 1 29 29 THR HG21 H 1 1.04 0.02 . 1 . . . . . . . . 5842 1 146 . 1 1 29 29 THR HG22 H 1 1.04 0.02 . 1 . . . . . . . . 5842 1 147 . 1 1 29 29 THR HG23 H 1 1.04 0.02 . 1 . . . . . . . . 5842 1 148 . 1 1 29 29 THR C C 13 173.1 0.2 . 1 . . . . . . . . 5842 1 149 . 1 1 29 29 THR CA C 13 62.0 0.2 . 1 . . . . . . . . 5842 1 150 . 1 1 29 29 THR CB C 13 70.1 0.2 . 1 . . . . . . . . 5842 1 151 . 1 1 29 29 THR CG2 C 13 21.7 0.2 . 1 . . . . . . . . 5842 1 152 . 1 1 29 29 THR N N 15 122.7 0.2 . 1 . . . . . . . . 5842 1 153 . 1 1 30 30 GLY H H 1 9.74 0.02 . 1 . . . . . . . . 5842 1 154 . 1 1 30 30 GLY HA2 H 1 3.59 0.02 . 2 . . . . . . . . 5842 1 155 . 1 1 30 30 GLY HA3 H 1 4.51 0.02 . 2 . . . . . . . . 5842 1 156 . 1 1 30 30 GLY C C 13 170.9 0.2 . 1 . . . . . . . . 5842 1 157 . 1 1 30 30 GLY CA C 13 44.4 0.2 . 1 . . . . . . . . 5842 1 158 . 1 1 30 30 GLY N N 15 114.9 0.2 . 1 . . . . . . . . 5842 1 159 . 1 1 31 31 MET H H 1 8.66 0.02 . 1 . . . . . . . . 5842 1 160 . 1 1 31 31 MET HA H 1 5.60 0.02 . 1 . . . . . . . . 5842 1 161 . 1 1 31 31 MET HB2 H 1 1.83 0.02 . 2 . . . . . . . . 5842 1 162 . 1 1 31 31 MET HB3 H 1 2.07 0.02 . 2 . . . . . . . . 5842 1 163 . 1 1 31 31 MET HG2 H 1 2.33 0.02 . 1 . . . . . . . . 5842 1 164 . 1 1 31 31 MET HG3 H 1 2.33 0.02 . 1 . . . . . . . . 5842 1 165 . 1 1 31 31 MET HE1 H 1 2.03 0.02 . 1 . . . . . . . . 5842 1 166 . 1 1 31 31 MET HE2 H 1 2.03 0.02 . 1 . . . . . . . . 5842 1 167 . 1 1 31 31 MET HE3 H 1 2.03 0.02 . 1 . . . . . . . . 5842 1 168 . 1 1 31 31 MET C C 13 174.8 0.2 . 1 . . . . . . . . 5842 1 169 . 1 1 31 31 MET CA C 13 54.9 0.2 . 1 . . . . . . . . 5842 1 170 . 1 1 31 31 MET CB C 13 34.8 0.2 . 1 . . . . . . . . 5842 1 171 . 1 1 31 31 MET CG C 13 32.2 0.2 . 1 . . . . . . . . 5842 1 172 . 1 1 31 31 MET CE C 13 17.3 0.2 . 1 . . . . . . . . 5842 1 173 . 1 1 31 31 MET N N 15 125.5 0.2 . 1 . . . . . . . . 5842 1 174 . 1 1 32 32 VAL H H 1 8.91 0.02 . 1 . . . . . . . . 5842 1 175 . 1 1 32 32 VAL HA H 1 4.75 0.02 . 1 . . . . . . . . 5842 1 176 . 1 1 32 32 VAL HB H 1 2.30 0.02 . 1 . . . . . . . . 5842 1 177 . 1 1 32 32 VAL HG11 H 1 0.83 0.02 . 1 . . . . . . . . 5842 1 178 . 1 1 32 32 VAL HG12 H 1 0.83 0.02 . 1 . . . . . . . . 5842 1 179 . 1 1 32 32 VAL HG13 H 1 0.83 0.02 . 1 . . . . . . . . 5842 1 180 . 1 1 32 32 VAL HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5842 1 181 . 1 1 32 32 VAL HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5842 1 182 . 1 1 32 32 VAL HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5842 1 183 . 1 1 32 32 VAL C C 13 174.0 0.2 . 1 . . . . . . . . 5842 1 184 . 1 1 32 32 VAL CA C 13 59.4 0.2 . 1 . . . . . . . . 5842 1 185 . 1 1 32 32 VAL CB C 13 36.4 0.2 . 1 . . . . . . . . 5842 1 186 . 1 1 32 32 VAL CG1 C 13 22.5 0.2 . 1 . . . . . . . . 5842 1 187 . 1 1 32 32 VAL CG2 C 13 20.0 0.2 . 1 . . . . . . . . 5842 1 188 . 1 1 32 32 VAL N N 15 119.7 0.2 . 1 . . . . . . . . 5842 1 189 . 1 1 33 33 GLY H H 1 8.47 0.02 . 1 . . . . . . . . 5842 1 190 . 1 1 33 33 GLY HA2 H 1 3.78 0.02 . 2 . . . . . . . . 5842 1 191 . 1 1 33 33 GLY HA3 H 1 4.92 0.02 . 2 . . . . . . . . 5842 1 192 . 1 1 33 33 GLY C C 13 172.4 0.2 . 1 . . . . . . . . 5842 1 193 . 1 1 33 33 GLY CA C 13 44.9 0.2 . 1 . . . . . . . . 5842 1 194 . 1 1 33 33 GLY N N 15 107.5 0.2 . 1 . . . . . . . . 5842 1 195 . 1 1 34 34 ALA H H 1 8.22 0.02 . 1 . . . . . . . . 5842 1 196 . 1 1 34 34 ALA HA H 1 5.19 0.02 . 1 . . . . . . . . 5842 1 197 . 1 1 34 34 ALA HB1 H 1 1.53 0.02 . 1 . . . . . . . . 5842 1 198 . 1 1 34 34 ALA HB2 H 1 1.53 0.02 . 1 . . . . . . . . 5842 1 199 . 1 1 34 34 ALA HB3 H 1 1.53 0.02 . 1 . . . . . . . . 5842 1 200 . 1 1 34 34 ALA CA C 13 48.7 0.2 . 1 . . . . . . . . 5842 1 201 . 1 1 34 34 ALA CB C 13 19.9 0.2 . 1 . . . . . . . . 5842 1 202 . 1 1 34 34 ALA N N 15 121.2 0.2 . 1 . . . . . . . . 5842 1 203 . 1 1 35 35 PRO HA H 1 4.28 0.02 . 1 . . . . . . . . 5842 1 204 . 1 1 35 35 PRO HB2 H 1 1.93 0.02 . 2 . . . . . . . . 5842 1 205 . 1 1 35 35 PRO HB3 H 1 2.28 0.02 . 2 . . . . . . . . 5842 1 206 . 1 1 35 35 PRO HG2 H 1 1.89 0.02 . 2 . . . . . . . . 5842 1 207 . 1 1 35 35 PRO HG3 H 1 2.01 0.02 . 2 . . . . . . . . 5842 1 208 . 1 1 35 35 PRO HD2 H 1 3.57 0.02 . 2 . . . . . . . . 5842 1 209 . 1 1 35 35 PRO HD3 H 1 3.90 0.02 . 2 . . . . . . . . 5842 1 210 . 1 1 35 35 PRO C C 13 177.4 0.2 . 1 . . . . . . . . 5842 1 211 . 1 1 35 35 PRO CA C 13 64.8 0.2 . 1 . . . . . . . . 5842 1 212 . 1 1 35 35 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 5842 1 213 . 1 1 35 35 PRO CG C 13 29.3 0.2 . 1 . . . . . . . . 5842 1 214 . 1 1 35 35 PRO CD C 13 51.3 0.2 . 1 . . . . . . . . 5842 1 215 . 1 1 35 35 PRO N N 15 120.3 0.2 . 1 . . . . . . . . 5842 1 216 . 1 1 36 36 ALA H H 1 8.40 0.02 . 1 . . . . . . . . 5842 1 217 . 1 1 36 36 ALA HA H 1 4.07 0.02 . 1 . . . . . . . . 5842 1 218 . 1 1 36 36 ALA HB1 H 1 1.29 0.02 . 1 . . . . . . . . 5842 1 219 . 1 1 36 36 ALA HB2 H 1 1.29 0.02 . 1 . . . . . . . . 5842 1 220 . 1 1 36 36 ALA HB3 H 1 1.29 0.02 . 1 . . . . . . . . 5842 1 221 . 1 1 36 36 ALA C C 13 178.0 0.2 . 1 . . . . . . . . 5842 1 222 . 1 1 36 36 ALA CA C 13 54.8 0.2 . 1 . . . . . . . . 5842 1 223 . 1 1 36 36 ALA CB C 13 17.8 0.2 . 1 . . . . . . . . 5842 1 224 . 1 1 36 36 ALA N N 15 120.3 0.2 . 1 . . . . . . . . 5842 1 225 . 1 1 37 37 CYS H H 1 7.18 0.02 . 1 . . . . . . . . 5842 1 226 . 1 1 37 37 CYS HA H 1 4.09 0.02 . 1 . . . . . . . . 5842 1 227 . 1 1 37 37 CYS HB2 H 1 2.07 0.02 . 2 . . . . . . . . 5842 1 228 . 1 1 37 37 CYS HB3 H 1 2.27 0.02 . 2 . . . . . . . . 5842 1 229 . 1 1 37 37 CYS C C 13 175.7 0.2 . 1 . . . . . . . . 5842 1 230 . 1 1 37 37 CYS CA C 13 60.1 0.2 . 1 . . . . . . . . 5842 1 231 . 1 1 37 37 CYS CB C 13 30.0 0.2 . 1 . . . . . . . . 5842 1 232 . 1 1 37 37 CYS N N 15 116.9 0.2 . 1 . . . . . . . . 5842 1 233 . 1 1 38 38 GLY H H 1 8.35 0.02 . 1 . . . . . . . . 5842 1 234 . 1 1 38 38 GLY HA2 H 1 3.52 0.02 . 1 . . . . . . . . 5842 1 235 . 1 1 38 38 GLY HA3 H 1 4.41 0.02 . 1 . . . . . . . . 5842 1 236 . 1 1 38 38 GLY C C 13 174.2 0.2 . 1 . . . . . . . . 5842 1 237 . 1 1 38 38 GLY CA C 13 44.3 0.2 . 1 . . . . . . . . 5842 1 238 . 1 1 38 38 GLY N N 15 104.3 0.2 . 1 . . . . . . . . 5842 1 239 . 1 1 39 39 ASP H H 1 6.72 0.02 . 1 . . . . . . . . 5842 1 240 . 1 1 39 39 ASP HA H 1 5.33 0.02 . 1 . . . . . . . . 5842 1 241 . 1 1 39 39 ASP HB2 H 1 2.32 0.02 . 2 . . . . . . . . 5842 1 242 . 1 1 39 39 ASP HB3 H 1 2.62 0.02 . 2 . . . . . . . . 5842 1 243 . 1 1 39 39 ASP C C 13 179.2 0.2 . 1 . . . . . . . . 5842 1 244 . 1 1 39 39 ASP CA C 13 54.8 0.2 . 1 . . . . . . . . 5842 1 245 . 1 1 39 39 ASP CB C 13 42.6 0.2 . 1 . . . . . . . . 5842 1 246 . 1 1 39 39 ASP N N 15 117.9 0.2 . 1 . . . . . . . . 5842 1 247 . 1 1 40 40 VAL HA H 1 4.49 0.02 . 1 . . . . . . . . 5842 1 248 . 1 1 40 40 VAL HB H 1 2.99 0.02 . 1 . . . . . . . . 5842 1 249 . 1 1 40 40 VAL HG11 H 1 0.90 0.02 . 2 . . . . . . . . 5842 1 250 . 1 1 40 40 VAL HG12 H 1 0.90 0.02 . 2 . . . . . . . . 5842 1 251 . 1 1 40 40 VAL HG13 H 1 0.90 0.02 . 2 . . . . . . . . 5842 1 252 . 1 1 40 40 VAL HG21 H 1 0.83 0.02 . 2 . . . . . . . . 5842 1 253 . 1 1 40 40 VAL HG22 H 1 0.83 0.02 . 2 . . . . . . . . 5842 1 254 . 1 1 40 40 VAL HG23 H 1 0.83 0.02 . 2 . . . . . . . . 5842 1 255 . 1 1 40 40 VAL C C 13 173.6 0.2 . 1 . . . . . . . . 5842 1 256 . 1 1 40 40 VAL CA C 13 62.9 0.2 . 1 . . . . . . . . 5842 1 257 . 1 1 40 40 VAL CB C 13 35.0 0.2 . 1 . . . . . . . . 5842 1 258 . 1 1 40 40 VAL CG1 C 13 21.1 0.2 . 2 . . . . . . . . 5842 1 259 . 1 1 40 40 VAL CG2 C 13 23.3 0.2 . 2 . . . . . . . . 5842 1 260 . 1 1 41 41 MET H H 1 9.14 0.02 . 1 . . . . . . . . 5842 1 261 . 1 1 41 41 MET HA H 1 5.00 0.02 . 1 . . . . . . . . 5842 1 262 . 1 1 41 41 MET HB2 H 1 1.76 0.02 . 2 . . . . . . . . 5842 1 263 . 1 1 41 41 MET HB3 H 1 1.82 0.02 . 2 . . . . . . . . 5842 1 264 . 1 1 41 41 MET HG2 H 1 2.07 0.02 . 2 . . . . . . . . 5842 1 265 . 1 1 41 41 MET HG3 H 1 2.49 0.02 . 2 . . . . . . . . 5842 1 266 . 1 1 41 41 MET HE1 H 1 1.72 0.02 . 1 . . . . . . . . 5842 1 267 . 1 1 41 41 MET HE2 H 1 1.72 0.02 . 1 . . . . . . . . 5842 1 268 . 1 1 41 41 MET HE3 H 1 1.72 0.02 . 1 . . . . . . . . 5842 1 269 . 1 1 41 41 MET C C 13 172.3 0.2 . 1 . . . . . . . . 5842 1 270 . 1 1 41 41 MET CA C 13 54.8 0.2 . 1 . . . . . . . . 5842 1 271 . 1 1 41 41 MET CB C 13 37.1 0.2 . 1 . . . . . . . . 5842 1 272 . 1 1 41 41 MET CG C 13 31.0 0.2 . 1 . . . . . . . . 5842 1 273 . 1 1 41 41 MET CE C 13 17.6 0.2 . 1 . . . . . . . . 5842 1 274 . 1 1 41 41 MET N N 15 128.4 0.2 . 1 . . . . . . . . 5842 1 275 . 1 1 42 42 GLN H H 1 8.50 0.02 . 1 . . . . . . . . 5842 1 276 . 1 1 42 42 GLN HA H 1 5.57 0.02 . 1 . . . . . . . . 5842 1 277 . 1 1 42 42 GLN HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5842 1 278 . 1 1 42 42 GLN HB3 H 1 2.34 0.02 . 2 . . . . . . . . 5842 1 279 . 1 1 42 42 GLN HG2 H 1 2.02 0.02 . 2 . . . . . . . . 5842 1 280 . 1 1 42 42 GLN HG3 H 1 2.08 0.02 . 2 . . . . . . . . 5842 1 281 . 1 1 42 42 GLN HE21 H 1 8.08 0.02 . 1 . . . . . . . . 5842 1 282 . 1 1 42 42 GLN HE22 H 1 7.09 0.02 . 1 . . . . . . . . 5842 1 283 . 1 1 42 42 GLN C C 13 173.8 0.2 . 1 . . . . . . . . 5842 1 284 . 1 1 42 42 GLN CA C 13 53.8 0.2 . 1 . . . . . . . . 5842 1 285 . 1 1 42 42 GLN CB C 13 32.2 0.2 . 1 . . . . . . . . 5842 1 286 . 1 1 42 42 GLN CG C 13 35.8 0.2 . 1 . . . . . . . . 5842 1 287 . 1 1 42 42 GLN N N 15 127.3 0.2 . 1 . . . . . . . . 5842 1 288 . 1 1 42 42 GLN NE2 N 15 112.9 0.2 . 1 . . . . . . . . 5842 1 289 . 1 1 43 43 LEU H H 1 9.07 0.02 . 1 . . . . . . . . 5842 1 290 . 1 1 43 43 LEU HA H 1 5.23 0.02 . 1 . . . . . . . . 5842 1 291 . 1 1 43 43 LEU HB2 H 1 1.27 0.02 . 2 . . . . . . . . 5842 1 292 . 1 1 43 43 LEU HB3 H 1 1.47 0.02 . 2 . . . . . . . . 5842 1 293 . 1 1 43 43 LEU HG H 1 1.43 0.02 . 1 . . . . . . . . 5842 1 294 . 1 1 43 43 LEU HD11 H 1 0.81 0.02 . 1 . . . . . . . . 5842 1 295 . 1 1 43 43 LEU HD12 H 1 0.81 0.02 . 1 . . . . . . . . 5842 1 296 . 1 1 43 43 LEU HD13 H 1 0.81 0.02 . 1 . . . . . . . . 5842 1 297 . 1 1 43 43 LEU HD21 H 1 0.74 0.02 . 1 . . . . . . . . 5842 1 298 . 1 1 43 43 LEU HD22 H 1 0.74 0.02 . 1 . . . . . . . . 5842 1 299 . 1 1 43 43 LEU HD23 H 1 0.74 0.02 . 1 . . . . . . . . 5842 1 300 . 1 1 43 43 LEU C C 13 175.3 0.2 . 1 . . . . . . . . 5842 1 301 . 1 1 43 43 LEU CA C 13 53.0 0.2 . 1 . . . . . . . . 5842 1 302 . 1 1 43 43 LEU CB C 13 46.4 0.2 . 1 . . . . . . . . 5842 1 303 . 1 1 43 43 LEU CG C 13 28.0 0.2 . 1 . . . . . . . . 5842 1 304 . 1 1 43 43 LEU CD1 C 13 26.9 0.2 . 1 . . . . . . . . 5842 1 305 . 1 1 43 43 LEU CD2 C 13 26.0 0.2 . 1 . . . . . . . . 5842 1 306 . 1 1 43 43 LEU N N 15 126.7 0.2 . 1 . . . . . . . . 5842 1 307 . 1 1 44 44 GLN H H 1 9.44 0.02 . 1 . . . . . . . . 5842 1 308 . 1 1 44 44 GLN HA H 1 5.96 0.02 . 1 . . . . . . . . 5842 1 309 . 1 1 44 44 GLN HB2 H 1 2.59 0.02 . 2 . . . . . . . . 5842 1 310 . 1 1 44 44 GLN HB3 H 1 2.64 0.02 . 2 . . . . . . . . 5842 1 311 . 1 1 44 44 GLN HG2 H 1 1.77 0.02 . 2 . . . . . . . . 5842 1 312 . 1 1 44 44 GLN HG3 H 1 2.03 0.02 . 2 . . . . . . . . 5842 1 313 . 1 1 44 44 GLN HE21 H 1 7.52 0.02 . 2 . . . . . . . . 5842 1 314 . 1 1 44 44 GLN HE22 H 1 6.62 0.02 . 2 . . . . . . . . 5842 1 315 . 1 1 44 44 GLN C C 13 174.3 0.2 . 1 . . . . . . . . 5842 1 316 . 1 1 44 44 GLN CA C 13 53.2 0.2 . 1 . . . . . . . . 5842 1 317 . 1 1 44 44 GLN CB C 13 35.8 0.2 . 1 . . . . . . . . 5842 1 318 . 1 1 44 44 GLN CG C 13 40.4 0.2 . 1 . . . . . . . . 5842 1 319 . 1 1 44 44 GLN N N 15 122.2 0.2 . 1 . . . . . . . . 5842 1 320 . 1 1 44 44 GLN NE2 N 15 112.9 0.2 . 1 . . . . . . . . 5842 1 321 . 1 1 45 45 ILE H H 1 8.99 0.02 . 1 . . . . . . . . 5842 1 322 . 1 1 45 45 ILE HA H 1 5.00 0.02 . 1 . . . . . . . . 5842 1 323 . 1 1 45 45 ILE HB H 1 1.69 0.02 . 1 . . . . . . . . 5842 1 324 . 1 1 45 45 ILE HG12 H 1 1.00 0.02 . 2 . . . . . . . . 5842 1 325 . 1 1 45 45 ILE HG13 H 1 1.40 0.02 . 2 . . . . . . . . 5842 1 326 . 1 1 45 45 ILE HG21 H 1 0.73 0.02 . 1 . . . . . . . . 5842 1 327 . 1 1 45 45 ILE HG22 H 1 0.73 0.02 . 1 . . . . . . . . 5842 1 328 . 1 1 45 45 ILE HG23 H 1 0.73 0.02 . 1 . . . . . . . . 5842 1 329 . 1 1 45 45 ILE HD11 H 1 0.46 0.02 . 1 . . . . . . . . 5842 1 330 . 1 1 45 45 ILE HD12 H 1 0.46 0.02 . 1 . . . . . . . . 5842 1 331 . 1 1 45 45 ILE HD13 H 1 0.46 0.02 . 1 . . . . . . . . 5842 1 332 . 1 1 45 45 ILE C C 13 172.7 0.2 . 1 . . . . . . . . 5842 1 333 . 1 1 45 45 ILE CA C 13 58.4 0.2 . 1 . . . . . . . . 5842 1 334 . 1 1 45 45 ILE CB C 13 41.4 0.2 . 1 . . . . . . . . 5842 1 335 . 1 1 45 45 ILE CG1 C 13 24.6 0.2 . 1 . . . . . . . . 5842 1 336 . 1 1 45 45 ILE CG2 C 13 17.2 0.2 . 1 . . . . . . . . 5842 1 337 . 1 1 45 45 ILE CD1 C 13 13.2 0.2 . 1 . . . . . . . . 5842 1 338 . 1 1 45 45 ILE N N 15 112.4 0.2 . 1 . . . . . . . . 5842 1 339 . 1 1 46 46 LYS H H 1 8.30 0.02 . 1 . . . . . . . . 5842 1 340 . 1 1 46 46 LYS HA H 1 5.09 0.02 . 1 . . . . . . . . 5842 1 341 . 1 1 46 46 LYS HB2 H 1 1.46 0.02 . 2 . . . . . . . . 5842 1 342 . 1 1 46 46 LYS HB3 H 1 2.05 0.02 . 2 . . . . . . . . 5842 1 343 . 1 1 46 46 LYS HG2 H 1 1.09 0.02 . 2 . . . . . . . . 5842 1 344 . 1 1 46 46 LYS HG3 H 1 1.27 0.02 . 2 . . . . . . . . 5842 1 345 . 1 1 46 46 LYS HD2 H 1 1.54 0.02 . 1 . . . . . . . . 5842 1 346 . 1 1 46 46 LYS HD3 H 1 1.54 0.02 . 1 . . . . . . . . 5842 1 347 . 1 1 46 46 LYS HE2 H 1 2.88 0.02 . 1 . . . . . . . . 5842 1 348 . 1 1 46 46 LYS HE3 H 1 2.88 0.02 . 1 . . . . . . . . 5842 1 349 . 1 1 46 46 LYS C C 13 174.4 0.2 . 1 . . . . . . . . 5842 1 350 . 1 1 46 46 LYS CA C 13 54.5 0.2 . 1 . . . . . . . . 5842 1 351 . 1 1 46 46 LYS CB C 13 36.0 0.2 . 1 . . . . . . . . 5842 1 352 . 1 1 46 46 LYS CG C 13 25.3 0.2 . 1 . . . . . . . . 5842 1 353 . 1 1 46 46 LYS CD C 13 29.5 0.2 . 1 . . . . . . . . 5842 1 354 . 1 1 46 46 LYS CE C 13 42.3 0.2 . 1 . . . . . . . . 5842 1 355 . 1 1 46 46 LYS N N 15 123.2 0.2 . 1 . . . . . . . . 5842 1 356 . 1 1 47 47 VAL H H 1 8.76 0.02 . 1 . . . . . . . . 5842 1 357 . 1 1 47 47 VAL HA H 1 4.39 0.02 . 1 . . . . . . . . 5842 1 358 . 1 1 47 47 VAL HB H 1 1.56 0.02 . 1 . . . . . . . . 5842 1 359 . 1 1 47 47 VAL HG11 H 1 0.73 0.02 . 1 . . . . . . . . 5842 1 360 . 1 1 47 47 VAL HG12 H 1 0.73 0.02 . 1 . . . . . . . . 5842 1 361 . 1 1 47 47 VAL HG13 H 1 0.73 0.02 . 1 . . . . . . . . 5842 1 362 . 1 1 47 47 VAL HG21 H 1 -0.03 0.02 . 1 . . . . . . . . 5842 1 363 . 1 1 47 47 VAL HG22 H 1 -0.03 0.02 . 1 . . . . . . . . 5842 1 364 . 1 1 47 47 VAL HG23 H 1 -0.03 0.02 . 1 . . . . . . . . 5842 1 365 . 1 1 47 47 VAL C C 13 176.2 0.2 . 1 . . . . . . . . 5842 1 366 . 1 1 47 47 VAL CA C 13 61.3 0.2 . 1 . . . . . . . . 5842 1 367 . 1 1 47 47 VAL CB C 13 33.7 0.2 . 1 . . . . . . . . 5842 1 368 . 1 1 47 47 VAL CG1 C 13 20.8 0.2 . 1 . . . . . . . . 5842 1 369 . 1 1 47 47 VAL CG2 C 13 21.4 0.2 . 1 . . . . . . . . 5842 1 370 . 1 1 47 47 VAL N N 15 129.4 0.2 . 1 . . . . . . . . 5842 1 371 . 1 1 48 48 ASP H H 1 9.24 0.02 . 1 . . . . . . . . 5842 1 372 . 1 1 48 48 ASP HA H 1 4.66 0.02 . 1 . . . . . . . . 5842 1 373 . 1 1 48 48 ASP HB2 H 1 2.67 0.02 . 2 . . . . . . . . 5842 1 374 . 1 1 48 48 ASP HB3 H 1 3.28 0.02 . 2 . . . . . . . . 5842 1 375 . 1 1 48 48 ASP C C 13 177.9 0.2 . 1 . . . . . . . . 5842 1 376 . 1 1 48 48 ASP CA C 13 52.9 0.2 . 1 . . . . . . . . 5842 1 377 . 1 1 48 48 ASP CB C 13 41.3 0.2 . 1 . . . . . . . . 5842 1 378 . 1 1 48 48 ASP N N 15 128.9 0.2 . 1 . . . . . . . . 5842 1 379 . 1 1 49 49 ASP H H 1 8.34 0.02 . 1 . . . . . . . . 5842 1 380 . 1 1 49 49 ASP HA H 1 4.47 0.02 . 1 . . . . . . . . 5842 1 381 . 1 1 49 49 ASP HB2 H 1 2.58 0.02 . 2 . . . . . . . . 5842 1 382 . 1 1 49 49 ASP HB3 H 1 2.72 0.02 . 2 . . . . . . . . 5842 1 383 . 1 1 49 49 ASP C C 13 176.6 0.2 . 1 . . . . . . . . 5842 1 384 . 1 1 49 49 ASP CA C 13 56.2 0.2 . 1 . . . . . . . . 5842 1 385 . 1 1 49 49 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . 5842 1 386 . 1 1 49 49 ASP N N 15 116.1 0.2 . 1 . . . . . . . . 5842 1 387 . 1 1 50 50 ASN H H 1 8.63 0.02 . 1 . . . . . . . . 5842 1 388 . 1 1 50 50 ASN HA H 1 4.89 0.02 . 1 . . . . . . . . 5842 1 389 . 1 1 50 50 ASN HB2 H 1 2.78 0.02 . 2 . . . . . . . . 5842 1 390 . 1 1 50 50 ASN HB3 H 1 2.92 0.02 . 2 . . . . . . . . 5842 1 391 . 1 1 50 50 ASN HD21 H 1 7.78 0.02 . 2 . . . . . . . . 5842 1 392 . 1 1 50 50 ASN HD22 H 1 6.89 0.02 . 2 . . . . . . . . 5842 1 393 . 1 1 50 50 ASN C C 13 175.4 0.2 . 1 . . . . . . . . 5842 1 394 . 1 1 50 50 ASN CA C 13 52.5 0.2 . 1 . . . . . . . . 5842 1 395 . 1 1 50 50 ASN CB C 13 39.9 0.2 . 1 . . . . . . . . 5842 1 396 . 1 1 50 50 ASN N N 15 117.1 0.2 . 1 . . . . . . . . 5842 1 397 . 1 1 50 50 ASN ND2 N 15 115.0 0.2 . 1 . . . . . . . . 5842 1 398 . 1 1 51 51 GLY H H 1 7.93 0.02 . 1 . . . . . . . . 5842 1 399 . 1 1 51 51 GLY HA2 H 1 3.42 0.02 . 2 . . . . . . . . 5842 1 400 . 1 1 51 51 GLY HA3 H 1 4.07 0.02 . 2 . . . . . . . . 5842 1 401 . 1 1 51 51 GLY C C 13 172.6 0.2 . 1 . . . . . . . . 5842 1 402 . 1 1 51 51 GLY CA C 13 46.0 0.2 . 1 . . . . . . . . 5842 1 403 . 1 1 51 51 GLY N N 15 108.5 0.2 . 1 . . . . . . . . 5842 1 404 . 1 1 52 52 ILE H H 1 8.19 0.02 . 1 . . . . . . . . 5842 1 405 . 1 1 52 52 ILE HA H 1 4.13 0.02 . 1 . . . . . . . . 5842 1 406 . 1 1 52 52 ILE HB H 1 2.21 0.02 . 1 . . . . . . . . 5842 1 407 . 1 1 52 52 ILE HG12 H 1 1.19 0.02 . 1 . . . . . . . . 5842 1 408 . 1 1 52 52 ILE HG13 H 1 1.19 0.02 . 1 . . . . . . . . 5842 1 409 . 1 1 52 52 ILE HG21 H 1 0.50 0.02 . 1 . . . . . . . . 5842 1 410 . 1 1 52 52 ILE HG22 H 1 0.50 0.02 . 1 . . . . . . . . 5842 1 411 . 1 1 52 52 ILE HG23 H 1 0.50 0.02 . 1 . . . . . . . . 5842 1 412 . 1 1 52 52 ILE HD11 H 1 0.53 0.02 . 1 . . . . . . . . 5842 1 413 . 1 1 52 52 ILE HD12 H 1 0.53 0.02 . 1 . . . . . . . . 5842 1 414 . 1 1 52 52 ILE HD13 H 1 0.53 0.02 . 1 . . . . . . . . 5842 1 415 . 1 1 52 52 ILE C C 13 175.8 0.2 . 1 . . . . . . . . 5842 1 416 . 1 1 52 52 ILE CA C 13 57.6 0.2 . 1 . . . . . . . . 5842 1 417 . 1 1 52 52 ILE CB C 13 36.3 0.2 . 1 . . . . . . . . 5842 1 418 . 1 1 52 52 ILE CG1 C 13 27.1 0.2 . 1 . . . . . . . . 5842 1 419 . 1 1 52 52 ILE CG2 C 13 17.3 0.2 . 1 . . . . . . . . 5842 1 420 . 1 1 52 52 ILE CD1 C 13 9.7 0.2 . 1 . . . . . . . . 5842 1 421 . 1 1 52 52 ILE N N 15 121.4 0.2 . 1 . . . . . . . . 5842 1 422 . 1 1 53 53 ILE H H 1 8.60 0.02 . 1 . . . . . . . . 5842 1 423 . 1 1 53 53 ILE HA H 1 3.98 0.02 . 1 . . . . . . . . 5842 1 424 . 1 1 53 53 ILE HB H 1 2.31 0.02 . 1 . . . . . . . . 5842 1 425 . 1 1 53 53 ILE HG12 H 1 1.69 0.02 . 2 . . . . . . . . 5842 1 426 . 1 1 53 53 ILE HG21 H 1 0.73 0.02 . 1 . . . . . . . . 5842 1 427 . 1 1 53 53 ILE HG22 H 1 0.73 0.02 . 1 . . . . . . . . 5842 1 428 . 1 1 53 53 ILE HG23 H 1 0.73 0.02 . 1 . . . . . . . . 5842 1 429 . 1 1 53 53 ILE HD11 H 1 0.71 0.02 . 1 . . . . . . . . 5842 1 430 . 1 1 53 53 ILE HD12 H 1 0.71 0.02 . 1 . . . . . . . . 5842 1 431 . 1 1 53 53 ILE HD13 H 1 0.71 0.02 . 1 . . . . . . . . 5842 1 432 . 1 1 53 53 ILE C C 13 174.7 0.2 . 1 . . . . . . . . 5842 1 433 . 1 1 53 53 ILE CA C 13 62.9 0.2 . 1 . . . . . . . . 5842 1 434 . 1 1 53 53 ILE CB C 13 36.3 0.2 . 1 . . . . . . . . 5842 1 435 . 1 1 53 53 ILE CG1 C 13 29.6 0.2 . 1 . . . . . . . . 5842 1 436 . 1 1 53 53 ILE CG2 C 13 18.3 0.2 . 1 . . . . . . . . 5842 1 437 . 1 1 53 53 ILE CD1 C 13 14.5 0.2 . 1 . . . . . . . . 5842 1 438 . 1 1 53 53 ILE N N 15 126.6 0.2 . 1 . . . . . . . . 5842 1 439 . 1 1 54 54 GLU H H 1 9.11 0.02 . 1 . . . . . . . . 5842 1 440 . 1 1 54 54 GLU HA H 1 4.45 0.02 . 1 . . . . . . . . 5842 1 441 . 1 1 54 54 GLU HB2 H 1 1.82 0.02 . 2 . . . . . . . . 5842 1 442 . 1 1 54 54 GLU HB3 H 1 2.09 0.02 . 2 . . . . . . . . 5842 1 443 . 1 1 54 54 GLU HG2 H 1 2.04 0.02 . 1 . . . . . . . . 5842 1 444 . 1 1 54 54 GLU HG3 H 1 2.04 0.02 . 1 . . . . . . . . 5842 1 445 . 1 1 54 54 GLU C C 13 176.0 0.2 . 1 . . . . . . . . 5842 1 446 . 1 1 54 54 GLU CA C 13 56.1 0.2 . 1 . . . . . . . . 5842 1 447 . 1 1 54 54 GLU CB C 13 31.9 0.2 . 1 . . . . . . . . 5842 1 448 . 1 1 54 54 GLU CG C 13 35.8 0.2 . 1 . . . . . . . . 5842 1 449 . 1 1 54 54 GLU N N 15 131.6 0.2 . 1 . . . . . . . . 5842 1 450 . 1 1 55 55 ASP H H 1 7.93 0.02 . 1 . . . . . . . . 5842 1 451 . 1 1 55 55 ASP HA H 1 4.78 0.02 . 1 . . . . . . . . 5842 1 452 . 1 1 55 55 ASP HB2 H 1 2.21 0.02 . 2 . . . . . . . . 5842 1 453 . 1 1 55 55 ASP HB3 H 1 2.64 0.02 . 2 . . . . . . . . 5842 1 454 . 1 1 55 55 ASP C C 13 172.6 0.2 . 1 . . . . . . . . 5842 1 455 . 1 1 55 55 ASP CA C 13 52.8 0.2 . 1 . . . . . . . . 5842 1 456 . 1 1 55 55 ASP CB C 13 44.4 0.2 . 1 . . . . . . . . 5842 1 457 . 1 1 55 55 ASP N N 15 116.3 0.2 . 1 . . . . . . . . 5842 1 458 . 1 1 56 56 ALA H H 1 8.51 0.02 . 1 . . . . . . . . 5842 1 459 . 1 1 56 56 ALA HA H 1 5.24 0.02 . 1 . . . . . . . . 5842 1 460 . 1 1 56 56 ALA HB1 H 1 1.26 0.02 . 1 . . . . . . . . 5842 1 461 . 1 1 56 56 ALA HB2 H 1 1.26 0.02 . 1 . . . . . . . . 5842 1 462 . 1 1 56 56 ALA HB3 H 1 1.26 0.02 . 1 . . . . . . . . 5842 1 463 . 1 1 56 56 ALA C C 13 174.5 0.2 . 1 . . . . . . . . 5842 1 464 . 1 1 56 56 ALA CA C 13 51.5 0.2 . 1 . . . . . . . . 5842 1 465 . 1 1 56 56 ALA CB C 13 22.6 0.2 . 1 . . . . . . . . 5842 1 466 . 1 1 56 56 ALA N N 15 123.5 0.2 . 1 . . . . . . . . 5842 1 467 . 1 1 57 57 LYS H H 1 8.67 0.02 . 1 . . . . . . . . 5842 1 468 . 1 1 57 57 LYS HA H 1 5.50 0.02 . 1 . . . . . . . . 5842 1 469 . 1 1 57 57 LYS HB2 H 1 1.10 0.02 . 2 . . . . . . . . 5842 1 470 . 1 1 57 57 LYS HB3 H 1 1.47 0.02 . 2 . . . . . . . . 5842 1 471 . 1 1 57 57 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 5842 1 472 . 1 1 57 57 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 5842 1 473 . 1 1 57 57 LYS C C 13 174.7 0.2 . 1 . . . . . . . . 5842 1 474 . 1 1 57 57 LYS CA C 13 52.9 0.2 . 1 . . . . . . . . 5842 1 475 . 1 1 57 57 LYS CB C 13 39.8 0.2 . 1 . . . . . . . . 5842 1 476 . 1 1 57 57 LYS CD C 13 29.0 0.2 . 1 . . . . . . . . 5842 1 477 . 1 1 57 57 LYS N N 15 116.8 0.2 . 1 . . . . . . . . 5842 1 478 . 1 1 58 58 PHE H H 1 8.61 0.02 . 1 . . . . . . . . 5842 1 479 . 1 1 58 58 PHE HA H 1 5.95 0.02 . 1 . . . . . . . . 5842 1 480 . 1 1 58 58 PHE HB2 H 1 2.64 0.02 . 2 . . . . . . . . 5842 1 481 . 1 1 58 58 PHE HB3 H 1 3.26 0.02 . 2 . . . . . . . . 5842 1 482 . 1 1 58 58 PHE C C 13 173.0 0.2 . 1 . . . . . . . . 5842 1 483 . 1 1 58 58 PHE CA C 13 56.2 0.2 . 1 . . . . . . . . 5842 1 484 . 1 1 58 58 PHE CB C 13 43.7 0.2 . 1 . . . . . . . . 5842 1 485 . 1 1 58 58 PHE N N 15 116.7 0.2 . 1 . . . . . . . . 5842 1 486 . 1 1 59 59 LYS H H 1 8.72 0.02 . 1 . . . . . . . . 5842 1 487 . 1 1 59 59 LYS HA H 1 4.33 0.02 . 1 . . . . . . . . 5842 1 488 . 1 1 59 59 LYS HB2 H 1 1.60 0.02 . 1 . . . . . . . . 5842 1 489 . 1 1 59 59 LYS HB3 H 1 1.60 0.02 . 1 . . . . . . . . 5842 1 490 . 1 1 59 59 LYS HG2 H 1 1.32 0.02 . 2 . . . . . . . . 5842 1 491 . 1 1 59 59 LYS HG3 H 1 1.54 0.02 . 2 . . . . . . . . 5842 1 492 . 1 1 59 59 LYS CA C 13 56.4 0.2 . 1 . . . . . . . . 5842 1 493 . 1 1 59 59 LYS CB C 13 35.4 0.2 . 1 . . . . . . . . 5842 1 494 . 1 1 59 59 LYS CG C 13 24.3 0.2 . 1 . . . . . . . . 5842 1 495 . 1 1 59 59 LYS N N 15 119.4 0.2 . 1 . . . . . . . . 5842 1 496 . 1 1 60 60 THR HA H 1 5.37 0.02 . 1 . . . . . . . . 5842 1 497 . 1 1 60 60 THR HB H 1 3.93 0.02 . 1 . . . . . . . . 5842 1 498 . 1 1 60 60 THR HG21 H 1 0.81 0.02 . 1 . . . . . . . . 5842 1 499 . 1 1 60 60 THR HG22 H 1 0.81 0.02 . 1 . . . . . . . . 5842 1 500 . 1 1 60 60 THR HG23 H 1 0.81 0.02 . 1 . . . . . . . . 5842 1 501 . 1 1 60 60 THR CA C 13 60.4 0.2 . 1 . . . . . . . . 5842 1 502 . 1 1 60 60 THR CB C 13 72.2 0.2 . 1 . . . . . . . . 5842 1 503 . 1 1 60 60 THR CG2 C 13 23.3 0.2 . 1 . . . . . . . . 5842 1 504 . 1 1 61 61 TYR H H 1 8.85 0.02 . 1 . . . . . . . . 5842 1 505 . 1 1 61 61 TYR HA H 1 4.85 0.02 . 1 . . . . . . . . 5842 1 506 . 1 1 61 61 TYR HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5842 1 507 . 1 1 61 61 TYR HD1 H 1 7.08 0.02 . 1 . . . . . . . . 5842 1 508 . 1 1 61 61 TYR HD2 H 1 7.08 0.02 . 1 . . . . . . . . 5842 1 509 . 1 1 61 61 TYR HE1 H 1 6.73 0.02 . 1 . . . . . . . . 5842 1 510 . 1 1 61 61 TYR HE2 H 1 6.73 0.02 . 1 . . . . . . . . 5842 1 511 . 1 1 61 61 TYR CA C 13 56.0 0.2 . 1 . . . . . . . . 5842 1 512 . 1 1 61 61 TYR CB C 13 41.7 0.2 . 1 . . . . . . . . 5842 1 513 . 1 1 61 61 TYR CD1 C 13 133.6 0.2 . 1 . . . . . . . . 5842 1 514 . 1 1 61 61 TYR CD2 C 13 133.6 0.2 . 1 . . . . . . . . 5842 1 515 . 1 1 61 61 TYR CE1 C 13 117.6 0.2 . 1 . . . . . . . . 5842 1 516 . 1 1 61 61 TYR CE2 C 13 117.6 0.2 . 1 . . . . . . . . 5842 1 517 . 1 1 61 61 TYR N N 15 126.3 0.2 . 1 . . . . . . . . 5842 1 518 . 1 1 62 62 GLY H H 1 8.21 0.02 . 1 . . . . . . . . 5842 1 519 . 1 1 62 62 GLY HA2 H 1 3.65 0.02 . 2 . . . . . . . . 5842 1 520 . 1 1 62 62 GLY HA3 H 1 5.18 0.02 . 2 . . . . . . . . 5842 1 521 . 1 1 62 62 GLY CA C 13 45.1 0.2 . 1 . . . . . . . . 5842 1 522 . 1 1 62 62 GLY N N 15 111.1 0.2 . 1 . . . . . . . . 5842 1 523 . 1 1 63 63 CYS H H 1 9.30 0.02 . 1 . . . . . . . . 5842 1 524 . 1 1 63 63 CYS CA C 13 53.5 0.2 . 1 . . . . . . . . 5842 1 525 . 1 1 63 63 CYS N N 15 122.2 0.2 . 1 . . . . . . . . 5842 1 526 . 1 1 65 65 SER H H 1 8.17 0.02 . 1 . . . . . . . . 5842 1 527 . 1 1 65 65 SER HA H 1 4.40 0.02 . 1 . . . . . . . . 5842 1 528 . 1 1 65 65 SER HB2 H 1 3.94 0.02 . 2 . . . . . . . . 5842 1 529 . 1 1 65 65 SER HB3 H 1 4.08 0.02 . 2 . . . . . . . . 5842 1 530 . 1 1 65 65 SER CA C 13 62.6 0.2 . 1 . . . . . . . . 5842 1 531 . 1 1 65 65 SER CB C 13 64.0 0.2 . 1 . . . . . . . . 5842 1 532 . 1 1 65 65 SER N N 15 120.0 0.2 . 1 . . . . . . . . 5842 1 533 . 1 1 66 66 ALA H H 1 8.48 0.02 . 1 . . . . . . . . 5842 1 534 . 1 1 66 66 ALA HA H 1 3.73 0.02 . 1 . . . . . . . . 5842 1 535 . 1 1 66 66 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 5842 1 536 . 1 1 66 66 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 5842 1 537 . 1 1 66 66 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 5842 1 538 . 1 1 66 66 ALA CA C 13 55.7 0.2 . 1 . . . . . . . . 5842 1 539 . 1 1 66 66 ALA CB C 13 16.4 0.2 . 1 . . . . . . . . 5842 1 540 . 1 1 66 66 ALA N N 15 132.4 0.2 . 1 . . . . . . . . 5842 1 541 . 1 1 67 67 ILE H H 1 7.57 0.02 . 1 . . . . . . . . 5842 1 542 . 1 1 67 67 ILE HA H 1 3.26 0.02 . 1 . . . . . . . . 5842 1 543 . 1 1 67 67 ILE HB H 1 2.19 0.02 . 1 . . . . . . . . 5842 1 544 . 1 1 67 67 ILE HG12 H 1 1.24 0.02 . 2 . . . . . . . . 5842 1 545 . 1 1 67 67 ILE HG13 H 1 1.55 0.02 . 2 . . . . . . . . 5842 1 546 . 1 1 67 67 ILE HG21 H 1 1.17 0.02 . 1 . . . . . . . . 5842 1 547 . 1 1 67 67 ILE HG22 H 1 1.17 0.02 . 1 . . . . . . . . 5842 1 548 . 1 1 67 67 ILE HG23 H 1 1.17 0.02 . 1 . . . . . . . . 5842 1 549 . 1 1 67 67 ILE HD11 H 1 0.94 0.02 . 1 . . . . . . . . 5842 1 550 . 1 1 67 67 ILE HD12 H 1 0.94 0.02 . 1 . . . . . . . . 5842 1 551 . 1 1 67 67 ILE HD13 H 1 0.94 0.02 . 1 . . . . . . . . 5842 1 552 . 1 1 67 67 ILE CA C 13 65.7 0.2 . 1 . . . . . . . . 5842 1 553 . 1 1 67 67 ILE CB C 13 37.5 0.2 . 1 . . . . . . . . 5842 1 554 . 1 1 67 67 ILE CG1 C 13 30.0 0.2 . 1 . . . . . . . . 5842 1 555 . 1 1 67 67 ILE CG2 C 13 17.7 0.2 . 1 . . . . . . . . 5842 1 556 . 1 1 67 67 ILE CD1 C 13 13.2 0.2 . 1 . . . . . . . . 5842 1 557 . 1 1 67 67 ILE N N 15 123.4 0.2 . 1 . . . . . . . . 5842 1 558 . 1 1 68 68 ALA C C 13 173.9 0.2 . 1 . . . . . . . . 5842 1 559 . 1 1 68 68 ALA CA C 13 54.6 0.2 . 1 . . . . . . . . 5842 1 560 . 1 1 68 68 ALA CB C 13 18.0 0.2 . 1 . . . . . . . . 5842 1 561 . 1 1 69 69 SER H H 1 7.66 0.02 . 1 . . . . . . . . 5842 1 562 . 1 1 69 69 SER HA H 1 3.11 0.02 . 1 . . . . . . . . 5842 1 563 . 1 1 69 69 SER HB2 H 1 3.50 0.02 . 1 . . . . . . . . 5842 1 564 . 1 1 69 69 SER HB3 H 1 3.50 0.02 . 1 . . . . . . . . 5842 1 565 . 1 1 69 69 SER CA C 13 63.0 0.2 . 1 . . . . . . . . 5842 1 566 . 1 1 69 69 SER CB C 13 62.8 0.2 . 1 . . . . . . . . 5842 1 567 . 1 1 69 69 SER N N 15 111.7 0.2 . 1 . . . . . . . . 5842 1 568 . 1 1 70 70 SER HA H 1 3.61 0.02 . 1 . . . . . . . . 5842 1 569 . 1 1 70 70 SER CA C 13 61.1 0.2 . 1 . . . . . . . . 5842 1 570 . 1 1 70 70 SER CB C 13 61.3 0.2 . 1 . . . . . . . . 5842 1 571 . 1 1 70 70 SER C C 13 174.6 0.2 . 1 . . . . . . . . 5842 1 572 . 1 1 71 71 SER H H 1 7.40 0.02 . 1 . . . . . . . . 5842 1 573 . 1 1 71 71 SER HA H 1 4.26 0.02 . 1 . . . . . . . . 5842 1 574 . 1 1 71 71 SER HB2 H 1 3.90 0.02 . 2 . . . . . . . . 5842 1 575 . 1 1 71 71 SER CA C 13 60.5 0.2 . 1 . . . . . . . . 5842 1 576 . 1 1 71 71 SER CB C 13 61.8 0.2 . 1 . . . . . . . . 5842 1 577 . 1 1 71 71 SER N N 15 118.1 0.2 . 1 . . . . . . . . 5842 1 578 . 1 1 71 71 SER C C 13 176.0 0.2 . 1 . . . . . . . . 5842 1 579 . 1 1 72 72 LEU H H 1 7.58 0.02 . 1 . . . . . . . . 5842 1 580 . 1 1 72 72 LEU HA H 1 3.30 0.02 . 1 . . . . . . . . 5842 1 581 . 1 1 72 72 LEU HB2 H 1 0.46 0.02 . 2 . . . . . . . . 5842 1 582 . 1 1 72 72 LEU HB3 H 1 1.14 0.02 . 2 . . . . . . . . 5842 1 583 . 1 1 72 72 LEU HG H 1 0.21 0.02 . 1 . . . . . . . . 5842 1 584 . 1 1 72 72 LEU HD11 H 1 0.21 0.02 . 1 . . . . . . . . 5842 1 585 . 1 1 72 72 LEU HD12 H 1 0.21 0.02 . 1 . . . . . . . . 5842 1 586 . 1 1 72 72 LEU HD13 H 1 0.21 0.02 . 1 . . . . . . . . 5842 1 587 . 1 1 72 72 LEU HD21 H 1 0.08 0.02 . 1 . . . . . . . . 5842 1 588 . 1 1 72 72 LEU HD22 H 1 0.08 0.02 . 1 . . . . . . . . 5842 1 589 . 1 1 72 72 LEU HD23 H 1 0.08 0.02 . 1 . . . . . . . . 5842 1 590 . 1 1 72 72 LEU C C 13 178.8 0.2 . 1 . . . . . . . . 5842 1 591 . 1 1 72 72 LEU CA C 13 58.1 0.2 . 1 . . . . . . . . 5842 1 592 . 1 1 72 72 LEU CB C 13 42.3 0.2 . 1 . . . . . . . . 5842 1 593 . 1 1 72 72 LEU CG C 13 26.4 0.2 . 1 . . . . . . . . 5842 1 594 . 1 1 72 72 LEU CD1 C 13 23.3 0.2 . 1 . . . . . . . . 5842 1 595 . 1 1 72 72 LEU CD2 C 13 26.6 0.2 . 1 . . . . . . . . 5842 1 596 . 1 1 72 72 LEU N N 15 117.1 0.2 . 1 . . . . . . . . 5842 1 597 . 1 1 73 73 ILE H H 1 7.86 0.02 . 1 . . . . . . . . 5842 1 598 . 1 1 73 73 ILE HA H 1 3.95 0.02 . 1 . . . . . . . . 5842 1 599 . 1 1 73 73 ILE HB H 1 1.62 0.02 . 1 . . . . . . . . 5842 1 600 . 1 1 73 73 ILE HG12 H 1 1.34 0.02 . 1 . . . . . . . . 5842 1 601 . 1 1 73 73 ILE HG13 H 1 1.34 0.02 . 1 . . . . . . . . 5842 1 602 . 1 1 73 73 ILE HG21 H 1 0.95 0.02 . 1 . . . . . . . . 5842 1 603 . 1 1 73 73 ILE HG22 H 1 0.95 0.02 . 1 . . . . . . . . 5842 1 604 . 1 1 73 73 ILE HG23 H 1 0.95 0.02 . 1 . . . . . . . . 5842 1 605 . 1 1 73 73 ILE HD11 H 1 0.81 0.02 . 1 . . . . . . . . 5842 1 606 . 1 1 73 73 ILE HD12 H 1 0.81 0.02 . 1 . . . . . . . . 5842 1 607 . 1 1 73 73 ILE HD13 H 1 0.81 0.02 . 1 . . . . . . . . 5842 1 608 . 1 1 73 73 ILE C C 13 176.8 0.2 . 1 . . . . . . . . 5842 1 609 . 1 1 73 73 ILE CA C 13 63.0 0.2 . 1 . . . . . . . . 5842 1 610 . 1 1 73 73 ILE CB C 13 37.6 0.2 . 1 . . . . . . . . 5842 1 611 . 1 1 73 73 ILE CG1 C 13 29.1 0.2 . 1 . . . . . . . . 5842 1 612 . 1 1 73 73 ILE CG2 C 13 20.4 0.2 . 1 . . . . . . . . 5842 1 613 . 1 1 73 73 ILE CD1 C 13 15.1 0.2 . 1 . . . . . . . . 5842 1 614 . 1 1 73 73 ILE N N 15 114.3 0.2 . 1 . . . . . . . . 5842 1 615 . 1 1 74 74 THR H H 1 7.54 0.02 . 1 . . . . . . . . 5842 1 616 . 1 1 74 74 THR HA H 1 3.84 0.02 . 1 . . . . . . . . 5842 1 617 . 1 1 74 74 THR HB H 1 3.99 0.02 . 1 . . . . . . . . 5842 1 618 . 1 1 74 74 THR HG21 H 1 1.33 0.02 . 1 . . . . . . . . 5842 1 619 . 1 1 74 74 THR HG22 H 1 1.33 0.02 . 1 . . . . . . . . 5842 1 620 . 1 1 74 74 THR HG23 H 1 1.33 0.02 . 1 . . . . . . . . 5842 1 621 . 1 1 74 74 THR C C 13 175.7 0.2 . 1 . . . . . . . . 5842 1 622 . 1 1 74 74 THR CA C 13 65.4 0.2 . 1 . . . . . . . . 5842 1 623 . 1 1 74 74 THR CB C 13 68.0 0.2 . 1 . . . . . . . . 5842 1 624 . 1 1 74 74 THR CG2 C 13 23.7 0.2 . 1 . . . . . . . . 5842 1 625 . 1 1 74 74 THR N N 15 111.5 0.2 . 1 . . . . . . . . 5842 1 626 . 1 1 75 75 GLU H H 1 7.28 0.02 . 1 . . . . . . . . 5842 1 627 . 1 1 75 75 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 5842 1 628 . 1 1 75 75 GLU HB2 H 1 2.18 0.02 . 2 . . . . . . . . 5842 1 629 . 1 1 75 75 GLU HB3 H 1 2.36 0.02 . 2 . . . . . . . . 5842 1 630 . 1 1 75 75 GLU HG2 H 1 2.36 0.02 . 1 . . . . . . . . 5842 1 631 . 1 1 75 75 GLU HG3 H 1 2.36 0.02 . 1 . . . . . . . . 5842 1 632 . 1 1 75 75 GLU C C 13 179.7 0.2 . 1 . . . . . . . . 5842 1 633 . 1 1 75 75 GLU CA C 13 58.4 0.2 . 1 . . . . . . . . 5842 1 634 . 1 1 75 75 GLU CB C 13 30.1 0.2 . 1 . . . . . . . . 5842 1 635 . 1 1 75 75 GLU CG C 13 36.8 0.2 . 1 . . . . . . . . 5842 1 636 . 1 1 75 75 GLU N N 15 118.2 0.2 . 1 . . . . . . . . 5842 1 637 . 1 1 76 76 TRP H H 1 8.61 0.02 . 1 . . . . . . . . 5842 1 638 . 1 1 76 76 TRP HA H 1 4.52 0.02 . 1 . . . . . . . . 5842 1 639 . 1 1 76 76 TRP HB2 H 1 3.07 0.02 . 2 . . . . . . . . 5842 1 640 . 1 1 76 76 TRP HB3 H 1 3.33 0.02 . 2 . . . . . . . . 5842 1 641 . 1 1 76 76 TRP HD1 H 1 7.11 0.02 . 1 . . . . . . . . 5842 1 642 . 1 1 76 76 TRP HE1 H 1 10.3 0.02 . 1 . . . . . . . . 5842 1 643 . 1 1 76 76 TRP HE3 H 1 7.17 0.02 . 1 . . . . . . . . 5842 1 644 . 1 1 76 76 TRP HZ2 H 1 7.29 0.02 . 1 . . . . . . . . 5842 1 645 . 1 1 76 76 TRP HZ3 H 1 6.68 0.02 . 1 . . . . . . . . 5842 1 646 . 1 1 76 76 TRP HH2 H 1 6.99 0.02 . 1 . . . . . . . . 5842 1 647 . 1 1 76 76 TRP C C 13 178.6 0.2 . 1 . . . . . . . . 5842 1 648 . 1 1 76 76 TRP CA C 13 58.7 0.2 . 1 . . . . . . . . 5842 1 649 . 1 1 76 76 TRP CB C 13 30.3 0.2 . 1 . . . . . . . . 5842 1 650 . 1 1 76 76 TRP CD1 C 13 124.4 0.2 . 1 . . . . . . . . 5842 1 651 . 1 1 76 76 TRP CE3 C 13 119.2 0.2 . 1 . . . . . . . . 5842 1 652 . 1 1 76 76 TRP CZ2 C 13 114.6 0.2 . 1 . . . . . . . . 5842 1 653 . 1 1 76 76 TRP CZ3 C 13 120.7 0.2 . 1 . . . . . . . . 5842 1 654 . 1 1 76 76 TRP CH2 C 13 124.0 0.2 . 1 . . . . . . . . 5842 1 655 . 1 1 76 76 TRP N N 15 119.1 0.2 . 1 . . . . . . . . 5842 1 656 . 1 1 76 76 TRP NE1 N 15 129.1 0.2 . 1 . . . . . . . . 5842 1 657 . 1 1 77 77 VAL H H 1 8.02 0.02 . 1 . . . . . . . . 5842 1 658 . 1 1 77 77 VAL HA H 1 3.93 0.02 . 1 . . . . . . . . 5842 1 659 . 1 1 77 77 VAL HB H 1 2.33 0.02 . 1 . . . . . . . . 5842 1 660 . 1 1 77 77 VAL HG11 H 1 1.03 0.02 . 1 . . . . . . . . 5842 1 661 . 1 1 77 77 VAL HG12 H 1 1.03 0.02 . 1 . . . . . . . . 5842 1 662 . 1 1 77 77 VAL HG13 H 1 1.03 0.02 . 1 . . . . . . . . 5842 1 663 . 1 1 77 77 VAL HG21 H 1 0.93 0.02 . 1 . . . . . . . . 5842 1 664 . 1 1 77 77 VAL HG22 H 1 0.93 0.02 . 1 . . . . . . . . 5842 1 665 . 1 1 77 77 VAL HG23 H 1 0.93 0.02 . 1 . . . . . . . . 5842 1 666 . 1 1 77 77 VAL C C 13 175.5 0.2 . 1 . . . . . . . . 5842 1 667 . 1 1 77 77 VAL CA C 13 63.6 0.2 . 1 . . . . . . . . 5842 1 668 . 1 1 77 77 VAL CB C 13 31.4 0.2 . 1 . . . . . . . . 5842 1 669 . 1 1 77 77 VAL CG1 C 13 21.6 0.2 . 1 . . . . . . . . 5842 1 670 . 1 1 77 77 VAL CG2 C 13 18.7 0.2 . 1 . . . . . . . . 5842 1 671 . 1 1 77 77 VAL N N 15 107.4 0.2 . 1 . . . . . . . . 5842 1 672 . 1 1 78 78 LYS H H 1 6.70 0.02 . 1 . . . . . . . . 5842 1 673 . 1 1 78 78 LYS HA H 1 3.66 0.02 . 1 . . . . . . . . 5842 1 674 . 1 1 78 78 LYS HB2 H 1 1.81 0.02 . 1 . . . . . . . . 5842 1 675 . 1 1 78 78 LYS HB3 H 1 1.81 0.02 . 1 . . . . . . . . 5842 1 676 . 1 1 78 78 LYS HG2 H 1 1.04 0.02 . 2 . . . . . . . . 5842 1 677 . 1 1 78 78 LYS HG3 H 1 1.99 0.02 . 2 . . . . . . . . 5842 1 678 . 1 1 78 78 LYS HD2 H 1 1.84 0.02 . 1 . . . . . . . . 5842 1 679 . 1 1 78 78 LYS HD3 H 1 1.84 0.02 . 1 . . . . . . . . 5842 1 680 . 1 1 78 78 LYS HE2 H 1 3.12 0.02 . 1 . . . . . . . . 5842 1 681 . 1 1 78 78 LYS HE3 H 1 3.12 0.02 . 1 . . . . . . . . 5842 1 682 . 1 1 78 78 LYS C C 13 177.6 0.2 . 1 . . . . . . . . 5842 1 683 . 1 1 78 78 LYS CA C 13 59.1 0.2 . 1 . . . . . . . . 5842 1 684 . 1 1 78 78 LYS CB C 13 32.2 0.2 . 1 . . . . . . . . 5842 1 685 . 1 1 78 78 LYS CG C 13 26.2 0.2 . 1 . . . . . . . . 5842 1 686 . 1 1 78 78 LYS CD C 13 30.3 0.2 . 1 . . . . . . . . 5842 1 687 . 1 1 78 78 LYS CE C 13 41.6 0.2 . 1 . . . . . . . . 5842 1 688 . 1 1 78 78 LYS N N 15 118.8 0.2 . 1 . . . . . . . . 5842 1 689 . 1 1 79 79 GLY H H 1 9.35 0.02 . 1 . . . . . . . . 5842 1 690 . 1 1 79 79 GLY HA2 H 1 3.53 0.02 . 1 . . . . . . . . 5842 1 691 . 1 1 79 79 GLY HA3 H 1 4.17 0.02 . 1 . . . . . . . . 5842 1 692 . 1 1 79 79 GLY C C 13 174.1 0.2 . 1 . . . . . . . . 5842 1 693 . 1 1 79 79 GLY CA C 13 45.0 0.2 . 1 . . . . . . . . 5842 1 694 . 1 1 79 79 GLY N N 15 112.6 0.2 . 1 . . . . . . . . 5842 1 695 . 1 1 80 80 LYS H H 1 7.88 0.02 . 1 . . . . . . . . 5842 1 696 . 1 1 80 80 LYS HA H 1 4.60 0.02 . 1 . . . . . . . . 5842 1 697 . 1 1 80 80 LYS HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5842 1 698 . 1 1 80 80 LYS HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5842 1 699 . 1 1 80 80 LYS HG2 H 1 1.24 0.02 . 1 . . . . . . . . 5842 1 700 . 1 1 80 80 LYS HG3 H 1 1.24 0.02 . 1 . . . . . . . . 5842 1 701 . 1 1 80 80 LYS HD2 H 1 1.26 0.02 . 2 . . . . . . . . 5842 1 702 . 1 1 80 80 LYS HD3 H 1 1.38 0.02 . 2 . . . . . . . . 5842 1 703 . 1 1 80 80 LYS HE2 H 1 2.64 0.02 . 1 . . . . . . . . 5842 1 704 . 1 1 80 80 LYS HE3 H 1 2.79 0.02 . 1 . . . . . . . . 5842 1 705 . 1 1 80 80 LYS C C 13 176.0 0.2 . 1 . . . . . . . . 5842 1 706 . 1 1 80 80 LYS CA C 13 54.2 0.2 . 1 . . . . . . . . 5842 1 707 . 1 1 80 80 LYS CB C 13 34.1 0.2 . 1 . . . . . . . . 5842 1 708 . 1 1 80 80 LYS CG C 13 25.7 0.2 . 1 . . . . . . . . 5842 1 709 . 1 1 80 80 LYS CD C 13 28.2 0.2 . 1 . . . . . . . . 5842 1 710 . 1 1 80 80 LYS CE C 13 42.3 0.2 . 1 . . . . . . . . 5842 1 711 . 1 1 80 80 LYS N N 15 119.8 0.2 . 1 . . . . . . . . 5842 1 712 . 1 1 81 81 SER H H 1 8.97 0.02 . 1 . . . . . . . . 5842 1 713 . 1 1 81 81 SER HA H 1 4.95 0.02 . 1 . . . . . . . . 5842 1 714 . 1 1 81 81 SER HB2 H 1 3.98 0.02 . 2 . . . . . . . . 5842 1 715 . 1 1 81 81 SER HB3 H 1 4.41 0.02 . 2 . . . . . . . . 5842 1 716 . 1 1 81 81 SER C C 13 175.4 0.2 . 1 . . . . . . . . 5842 1 717 . 1 1 81 81 SER CA C 13 57.0 0.2 . 1 . . . . . . . . 5842 1 718 . 1 1 81 81 SER CB C 13 65.0 0.2 . 1 . . . . . . . . 5842 1 719 . 1 1 81 81 SER N N 15 115.7 0.2 . 1 . . . . . . . . 5842 1 720 . 1 1 82 82 LEU H H 1 8.06 0.02 . 1 . . . . . . . . 5842 1 721 . 1 1 82 82 LEU HA H 1 3.87 0.02 . 1 . . . . . . . . 5842 1 722 . 1 1 82 82 LEU HB2 H 1 1.39 0.02 . 2 . . . . . . . . 5842 1 723 . 1 1 82 82 LEU HB3 H 1 1.89 0.02 . 2 . . . . . . . . 5842 1 724 . 1 1 82 82 LEU HG H 1 1.83 0.02 . 1 . . . . . . . . 5842 1 725 . 1 1 82 82 LEU HD11 H 1 0.97 0.02 . 1 . . . . . . . . 5842 1 726 . 1 1 82 82 LEU HD12 H 1 0.97 0.02 . 1 . . . . . . . . 5842 1 727 . 1 1 82 82 LEU HD13 H 1 0.97 0.02 . 1 . . . . . . . . 5842 1 728 . 1 1 82 82 LEU HD21 H 1 0.65 0.02 . 1 . . . . . . . . 5842 1 729 . 1 1 82 82 LEU HD22 H 1 0.65 0.02 . 1 . . . . . . . . 5842 1 730 . 1 1 82 82 LEU HD23 H 1 0.65 0.02 . 1 . . . . . . . . 5842 1 731 . 1 1 82 82 LEU C C 13 180.3 0.2 . 1 . . . . . . . . 5842 1 732 . 1 1 82 82 LEU CA C 13 58.5 0.2 . 1 . . . . . . . . 5842 1 733 . 1 1 82 82 LEU CB C 13 41.2 0.2 . 1 . . . . . . . . 5842 1 734 . 1 1 82 82 LEU CG C 13 26.6 0.2 . 1 . . . . . . . . 5842 1 735 . 1 1 82 82 LEU CD1 C 13 26.6 0.2 . 1 . . . . . . . . 5842 1 736 . 1 1 82 82 LEU CD2 C 13 23.2 0.2 . 1 . . . . . . . . 5842 1 737 . 1 1 82 82 LEU N N 15 118.2 0.2 . 1 . . . . . . . . 5842 1 738 . 1 1 83 83 GLU H H 1 8.56 0.02 . 1 . . . . . . . . 5842 1 739 . 1 1 83 83 GLU HA H 1 3.92 0.02 . 1 . . . . . . . . 5842 1 740 . 1 1 83 83 GLU HB2 H 1 1.88 0.02 . 2 . . . . . . . . 5842 1 741 . 1 1 83 83 GLU HB3 H 1 2.01 0.02 . 2 . . . . . . . . 5842 1 742 . 1 1 83 83 GLU HG2 H 1 2.23 0.02 . 2 . . . . . . . . 5842 1 743 . 1 1 83 83 GLU HG3 H 1 2.30 0.02 . 2 . . . . . . . . 5842 1 744 . 1 1 83 83 GLU C C 13 179.2 0.2 . 1 . . . . . . . . 5842 1 745 . 1 1 83 83 GLU CA C 13 59.6 0.2 . 1 . . . . . . . . 5842 1 746 . 1 1 83 83 GLU CB C 13 29.5 0.2 . 1 . . . . . . . . 5842 1 747 . 1 1 83 83 GLU CG C 13 36.6 0.2 . 1 . . . . . . . . 5842 1 748 . 1 1 83 83 GLU N N 15 119.0 0.2 . 1 . . . . . . . . 5842 1 749 . 1 1 84 84 GLU H H 1 7.80 0.02 . 1 . . . . . . . . 5842 1 750 . 1 1 84 84 GLU HA H 1 3.95 0.02 . 1 . . . . . . . . 5842 1 751 . 1 1 84 84 GLU HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5842 1 752 . 1 1 84 84 GLU HG2 H 1 2.30 0.02 . 2 . . . . . . . . 5842 1 753 . 1 1 84 84 GLU C C 13 180.3 0.2 . 1 . . . . . . . . 5842 1 754 . 1 1 84 84 GLU CA C 13 59.0 0.2 . 1 . . . . . . . . 5842 1 755 . 1 1 84 84 GLU CB C 13 30.6 0.2 . 1 . . . . . . . . 5842 1 756 . 1 1 84 84 GLU CG C 13 37.1 0.2 . 1 . . . . . . . . 5842 1 757 . 1 1 84 84 GLU N N 15 120.2 0.2 . 1 . . . . . . . . 5842 1 758 . 1 1 85 85 ALA H H 1 8.84 0.02 . 1 . . . . . . . . 5842 1 759 . 1 1 85 85 ALA HA H 1 4.00 0.02 . 1 . . . . . . . . 5842 1 760 . 1 1 85 85 ALA HB1 H 1 1.31 0.02 . 1 . . . . . . . . 5842 1 761 . 1 1 85 85 ALA HB2 H 1 1.31 0.02 . 1 . . . . . . . . 5842 1 762 . 1 1 85 85 ALA HB3 H 1 1.31 0.02 . 1 . . . . . . . . 5842 1 763 . 1 1 85 85 ALA C C 13 178.7 0.2 . 1 . . . . . . . . 5842 1 764 . 1 1 85 85 ALA CA C 13 54.8 0.2 . 1 . . . . . . . . 5842 1 765 . 1 1 85 85 ALA CB C 13 18.4 0.2 . 1 . . . . . . . . 5842 1 766 . 1 1 85 85 ALA N N 15 122.5 0.2 . 1 . . . . . . . . 5842 1 767 . 1 1 86 86 GLY H H 1 7.90 0.02 . 1 . . . . . . . . 5842 1 768 . 1 1 86 86 GLY HA2 H 1 3.74 0.02 . 1 . . . . . . . . 5842 1 769 . 1 1 86 86 GLY HA3 H 1 3.74 0.02 . 1 . . . . . . . . 5842 1 770 . 1 1 86 86 GLY C C 13 172.9 0.2 . 1 . . . . . . . . 5842 1 771 . 1 1 86 86 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 5842 1 772 . 1 1 86 86 GLY N N 15 101.8 0.2 . 1 . . . . . . . . 5842 1 773 . 1 1 87 87 ALA H H 1 7.14 0.02 . 1 . . . . . . . . 5842 1 774 . 1 1 87 87 ALA HA H 1 4.43 0.02 . 1 . . . . . . . . 5842 1 775 . 1 1 87 87 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 5842 1 776 . 1 1 87 87 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 5842 1 777 . 1 1 87 87 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 5842 1 778 . 1 1 87 87 ALA C C 13 177.7 0.2 . 1 . . . . . . . . 5842 1 779 . 1 1 87 87 ALA CA C 13 51.2 0.2 . 1 . . . . . . . . 5842 1 780 . 1 1 87 87 ALA CB C 13 19.1 0.2 . 1 . . . . . . . . 5842 1 781 . 1 1 87 87 ALA N N 15 120.3 0.2 . 1 . . . . . . . . 5842 1 782 . 1 1 88 88 ILE H H 1 6.97 0.02 . 1 . . . . . . . . 5842 1 783 . 1 1 88 88 ILE HA H 1 3.84 0.02 . 1 . . . . . . . . 5842 1 784 . 1 1 88 88 ILE HB H 1 1.70 0.02 . 1 . . . . . . . . 5842 1 785 . 1 1 88 88 ILE HG12 H 1 1.61 0.02 . 2 . . . . . . . . 5842 1 786 . 1 1 88 88 ILE HG13 H 1 1.71 0.02 . 2 . . . . . . . . 5842 1 787 . 1 1 88 88 ILE HG21 H 1 0.80 0.02 . 1 . . . . . . . . 5842 1 788 . 1 1 88 88 ILE HG22 H 1 0.80 0.02 . 1 . . . . . . . . 5842 1 789 . 1 1 88 88 ILE HG23 H 1 0.80 0.02 . 1 . . . . . . . . 5842 1 790 . 1 1 88 88 ILE HD11 H 1 0.65 0.02 . 1 . . . . . . . . 5842 1 791 . 1 1 88 88 ILE HD12 H 1 0.65 0.02 . 1 . . . . . . . . 5842 1 792 . 1 1 88 88 ILE HD13 H 1 0.65 0.02 . 1 . . . . . . . . 5842 1 793 . 1 1 88 88 ILE C C 13 175.0 0.2 . 1 . . . . . . . . 5842 1 794 . 1 1 88 88 ILE CA C 13 62.7 0.2 . 1 . . . . . . . . 5842 1 795 . 1 1 88 88 ILE CB C 13 38.0 0.2 . 1 . . . . . . . . 5842 1 796 . 1 1 88 88 ILE CG1 C 13 28.2 0.2 . 1 . . . . . . . . 5842 1 797 . 1 1 88 88 ILE CG2 C 13 17.1 0.2 . 1 . . . . . . . . 5842 1 798 . 1 1 88 88 ILE CD1 C 13 14.3 0.2 . 1 . . . . . . . . 5842 1 799 . 1 1 88 88 ILE N N 15 120.5 0.2 . 1 . . . . . . . . 5842 1 800 . 1 1 89 89 LYS H H 1 8.20 0.02 . 1 . . . . . . . . 5842 1 801 . 1 1 89 89 LYS HA H 1 4.71 0.02 . 1 . . . . . . . . 5842 1 802 . 1 1 89 89 LYS HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5842 1 803 . 1 1 89 89 LYS HB3 H 1 2.06 0.02 . 2 . . . . . . . . 5842 1 804 . 1 1 89 89 LYS HG2 H 1 1.42 0.02 . 1 . . . . . . . . 5842 1 805 . 1 1 89 89 LYS HG3 H 1 1.42 0.02 . 1 . . . . . . . . 5842 1 806 . 1 1 89 89 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 5842 1 807 . 1 1 89 89 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 5842 1 808 . 1 1 89 89 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 5842 1 809 . 1 1 89 89 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 5842 1 810 . 1 1 89 89 LYS C C 13 179.3 0.2 . 1 . . . . . . . . 5842 1 811 . 1 1 89 89 LYS CA C 13 54.0 0.2 . 1 . . . . . . . . 5842 1 812 . 1 1 89 89 LYS CB C 13 35.4 0.2 . 1 . . . . . . . . 5842 1 813 . 1 1 89 89 LYS CG C 13 25.0 0.2 . 1 . . . . . . . . 5842 1 814 . 1 1 89 89 LYS CD C 13 28.6 0.2 . 1 . . . . . . . . 5842 1 815 . 1 1 89 89 LYS CE C 13 41.5 0.2 . 1 . . . . . . . . 5842 1 816 . 1 1 89 89 LYS N N 15 125.3 0.2 . 1 . . . . . . . . 5842 1 817 . 1 1 90 90 ASN H H 1 9.29 0.02 . 1 . . . . . . . . 5842 1 818 . 1 1 90 90 ASN HA H 1 4.04 0.02 . 1 . . . . . . . . 5842 1 819 . 1 1 90 90 ASN HB2 H 1 2.44 0.02 . 2 . . . . . . . . 5842 1 820 . 1 1 90 90 ASN HB3 H 1 2.89 0.02 . 2 . . . . . . . . 5842 1 821 . 1 1 90 90 ASN HD21 H 1 8.12 0.02 . 2 . . . . . . . . 5842 1 822 . 1 1 90 90 ASN HD22 H 1 7.08 0.02 . 2 . . . . . . . . 5842 1 823 . 1 1 90 90 ASN C C 13 176.3 0.2 . 1 . . . . . . . . 5842 1 824 . 1 1 90 90 ASN CA C 13 57.0 0.2 . 1 . . . . . . . . 5842 1 825 . 1 1 90 90 ASN CB C 13 38.2 0.2 . 1 . . . . . . . . 5842 1 826 . 1 1 90 90 ASN N N 15 120.6 0.2 . 1 . . . . . . . . 5842 1 827 . 1 1 90 90 ASN ND2 N 15 118.0 0.2 . 1 . . . . . . . . 5842 1 828 . 1 1 91 91 SER H H 1 8.01 0.02 . 1 . . . . . . . . 5842 1 829 . 1 1 91 91 SER HA H 1 4.10 0.02 . 1 . . . . . . . . 5842 1 830 . 1 1 91 91 SER HB2 H 1 3.85 0.02 . 1 . . . . . . . . 5842 1 831 . 1 1 91 91 SER HB3 H 1 3.85 0.02 . 1 . . . . . . . . 5842 1 832 . 1 1 91 91 SER C C 13 176.5 0.2 . 1 . . . . . . . . 5842 1 833 . 1 1 91 91 SER CA C 13 61.1 0.2 . 1 . . . . . . . . 5842 1 834 . 1 1 91 91 SER CB C 13 61.3 0.2 . 1 . . . . . . . . 5842 1 835 . 1 1 91 91 SER N N 15 114.7 0.2 . 1 . . . . . . . . 5842 1 836 . 1 1 92 92 GLN H H 1 7.35 0.02 . 1 . . . . . . . . 5842 1 837 . 1 1 92 92 GLN HA H 1 4.28 0.02 . 1 . . . . . . . . 5842 1 838 . 1 1 92 92 GLN HB2 H 1 2.24 0.02 . 2 . . . . . . . . 5842 1 839 . 1 1 92 92 GLN HB3 H 1 2.53 0.02 . 2 . . . . . . . . 5842 1 840 . 1 1 92 92 GLN HG2 H 1 2.29 0.02 . 2 . . . . . . . . 5842 1 841 . 1 1 92 92 GLN HG3 H 1 2.52 0.02 . 2 . . . . . . . . 5842 1 842 . 1 1 92 92 GLN HE21 H 1 6.71 0.02 . 2 . . . . . . . . 5842 1 843 . 1 1 92 92 GLN HE22 H 1 7.54 0.02 . 2 . . . . . . . . 5842 1 844 . 1 1 92 92 GLN C C 13 179.1 0.2 . 1 . . . . . . . . 5842 1 845 . 1 1 92 92 GLN CA C 13 58.6 0.2 . 1 . . . . . . . . 5842 1 846 . 1 1 92 92 GLN CB C 13 29.4 0.2 . 1 . . . . . . . . 5842 1 847 . 1 1 92 92 GLN CG C 13 35.0 0.2 . 1 . . . . . . . . 5842 1 848 . 1 1 92 92 GLN N N 15 121.5 0.2 . 1 . . . . . . . . 5842 1 849 . 1 1 92 92 GLN NE2 N 15 111.2 0.2 . 1 . . . . . . . . 5842 1 850 . 1 1 93 93 ILE H H 1 7.20 0.02 . 1 . . . . . . . . 5842 1 851 . 1 1 93 93 ILE HA H 1 3.42 0.02 . 1 . . . . . . . . 5842 1 852 . 1 1 93 93 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 5842 1 853 . 1 1 93 93 ILE HG12 H 1 1.55 0.02 . 1 . . . . . . . . 5842 1 854 . 1 1 93 93 ILE HG13 H 1 1.55 0.02 . 1 . . . . . . . . 5842 1 855 . 1 1 93 93 ILE HG21 H 1 0.55 0.02 . 1 . . . . . . . . 5842 1 856 . 1 1 93 93 ILE HG22 H 1 0.55 0.02 . 1 . . . . . . . . 5842 1 857 . 1 1 93 93 ILE HG23 H 1 0.55 0.02 . 1 . . . . . . . . 5842 1 858 . 1 1 93 93 ILE HD11 H 1 0.67 0.02 . 1 . . . . . . . . 5842 1 859 . 1 1 93 93 ILE HD12 H 1 0.67 0.02 . 1 . . . . . . . . 5842 1 860 . 1 1 93 93 ILE HD13 H 1 0.67 0.02 . 1 . . . . . . . . 5842 1 861 . 1 1 93 93 ILE CA C 13 64.4 0.2 . 1 . . . . . . . . 5842 1 862 . 1 1 93 93 ILE CB C 13 38.8 0.2 . 1 . . . . . . . . 5842 1 863 . 1 1 93 93 ILE CG1 C 13 28.4 0.2 . 1 . . . . . . . . 5842 1 864 . 1 1 93 93 ILE CG2 C 13 16.7 0.2 . 1 . . . . . . . . 5842 1 865 . 1 1 93 93 ILE CD1 C 13 14.2 0.2 . 1 . . . . . . . . 5842 1 866 . 1 1 93 93 ILE N N 15 120.5 0.2 . 1 . . . . . . . . 5842 1 867 . 1 1 94 94 ALA H H 1 8.14 0.02 . 1 . . . . . . . . 5842 1 868 . 1 1 94 94 ALA HA H 1 3.73 0.02 . 1 . . . . . . . . 5842 1 869 . 1 1 94 94 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 5842 1 870 . 1 1 94 94 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 5842 1 871 . 1 1 94 94 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 5842 1 872 . 1 1 94 94 ALA C C 13 179.7 0.2 . 1 . . . . . . . . 5842 1 873 . 1 1 94 94 ALA CA C 13 55.4 0.2 . 1 . . . . . . . . 5842 1 874 . 1 1 94 94 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 5842 1 875 . 1 1 94 94 ALA N N 15 119.0 0.2 . 1 . . . . . . . . 5842 1 876 . 1 1 95 95 GLU H H 1 7.98 0.02 . 1 . . . . . . . . 5842 1 877 . 1 1 95 95 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 5842 1 878 . 1 1 95 95 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 5842 1 879 . 1 1 95 95 GLU HB3 H 1 2.16 0.02 . 2 . . . . . . . . 5842 1 880 . 1 1 95 95 GLU HG2 H 1 2.28 0.02 . 2 . . . . . . . . 5842 1 881 . 1 1 95 95 GLU HG3 H 1 2.42 0.02 . 2 . . . . . . . . 5842 1 882 . 1 1 95 95 GLU C C 13 179.7 0.2 . 1 . . . . . . . . 5842 1 883 . 1 1 95 95 GLU CA C 13 59.0 0.2 . 1 . . . . . . . . 5842 1 884 . 1 1 95 95 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 5842 1 885 . 1 1 95 95 GLU CG C 13 36.5 0.2 . 1 . . . . . . . . 5842 1 886 . 1 1 95 95 GLU N N 15 116.2 0.2 . 1 . . . . . . . . 5842 1 887 . 1 1 96 96 GLU H H 1 7.73 0.02 . 1 . . . . . . . . 5842 1 888 . 1 1 96 96 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . 5842 1 889 . 1 1 96 96 GLU HB2 H 1 2.31 0.02 . 2 . . . . . . . . 5842 1 890 . 1 1 96 96 GLU HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5842 1 891 . 1 1 96 96 GLU HG2 H 1 2.10 0.02 . 1 . . . . . . . . 5842 1 892 . 1 1 96 96 GLU HG3 H 1 2.10 0.02 . 1 . . . . . . . . 5842 1 893 . 1 1 96 96 GLU C C 13 177.7 0.2 . 1 . . . . . . . . 5842 1 894 . 1 1 96 96 GLU CA C 13 58.9 0.2 . 1 . . . . . . . . 5842 1 895 . 1 1 96 96 GLU CB C 13 29.4 0.2 . 1 . . . . . . . . 5842 1 896 . 1 1 96 96 GLU CG C 13 34.9 0.2 . 1 . . . . . . . . 5842 1 897 . 1 1 96 96 GLU N N 15 120.6 0.2 . 1 . . . . . . . . 5842 1 898 . 1 1 97 97 LEU H H 1 7.31 0.02 . 1 . . . . . . . . 5842 1 899 . 1 1 97 97 LEU HA H 1 4.29 0.02 . 1 . . . . . . . . 5842 1 900 . 1 1 97 97 LEU HB2 H 1 1.46 0.02 . 1 . . . . . . . . 5842 1 901 . 1 1 97 97 LEU HB3 H 1 1.46 0.02 . 1 . . . . . . . . 5842 1 902 . 1 1 97 97 LEU HG H 1 1.48 0.02 . 1 . . . . . . . . 5842 1 903 . 1 1 97 97 LEU HD11 H 1 0.45 0.02 . 2 . . . . . . . . 5842 1 904 . 1 1 97 97 LEU HD12 H 1 0.45 0.02 . 2 . . . . . . . . 5842 1 905 . 1 1 97 97 LEU HD13 H 1 0.45 0.02 . 2 . . . . . . . . 5842 1 906 . 1 1 97 97 LEU HD21 H 1 0.56 0.02 . 2 . . . . . . . . 5842 1 907 . 1 1 97 97 LEU HD22 H 1 0.56 0.02 . 2 . . . . . . . . 5842 1 908 . 1 1 97 97 LEU HD23 H 1 0.56 0.02 . 2 . . . . . . . . 5842 1 909 . 1 1 97 97 LEU C C 13 174.6 0.2 . 1 . . . . . . . . 5842 1 910 . 1 1 97 97 LEU CA C 13 54.0 0.2 . 1 . . . . . . . . 5842 1 911 . 1 1 97 97 LEU CB C 13 41.9 0.2 . 1 . . . . . . . . 5842 1 912 . 1 1 97 97 LEU CG C 13 26.5 0.2 . 1 . . . . . . . . 5842 1 913 . 1 1 97 97 LEU CD1 C 13 26.4 0.2 . 2 . . . . . . . . 5842 1 914 . 1 1 97 97 LEU CD2 C 13 22.6 0.2 . 2 . . . . . . . . 5842 1 915 . 1 1 97 97 LEU N N 15 112.9 0.2 . 1 . . . . . . . . 5842 1 916 . 1 1 98 98 GLU H H 1 7.67 0.02 . 1 . . . . . . . . 5842 1 917 . 1 1 98 98 GLU HA H 1 3.82 0.02 . 1 . . . . . . . . 5842 1 918 . 1 1 98 98 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5842 1 919 . 1 1 98 98 GLU HB3 H 1 2.22 0.02 . 2 . . . . . . . . 5842 1 920 . 1 1 98 98 GLU C C 13 176.6 0.2 . 1 . . . . . . . . 5842 1 921 . 1 1 98 98 GLU CA C 13 56.4 0.2 . 1 . . . . . . . . 5842 1 922 . 1 1 98 98 GLU CB C 13 26.8 0.2 . 1 . . . . . . . . 5842 1 923 . 1 1 98 98 GLU CG C 13 36.5 0.2 . 1 . . . . . . . . 5842 1 924 . 1 1 98 98 GLU N N 15 118.2 0.2 . 1 . . . . . . . . 5842 1 925 . 1 1 99 99 LEU H H 1 8.07 0.02 . 1 . . . . . . . . 5842 1 926 . 1 1 99 99 LEU HA H 1 5.53 0.02 . 1 . . . . . . . . 5842 1 927 . 1 1 99 99 LEU HB2 H 1 1.49 0.02 . 1 . . . . . . . . 5842 1 928 . 1 1 99 99 LEU HB3 H 1 1.49 0.02 . 1 . . . . . . . . 5842 1 929 . 1 1 99 99 LEU HG H 1 1.65 0.02 . 1 . . . . . . . . 5842 1 930 . 1 1 99 99 LEU HD11 H 1 1.05 0.02 . 2 . . . . . . . . 5842 1 931 . 1 1 99 99 LEU HD12 H 1 1.05 0.02 . 2 . . . . . . . . 5842 1 932 . 1 1 99 99 LEU HD13 H 1 1.05 0.02 . 2 . . . . . . . . 5842 1 933 . 1 1 99 99 LEU HD21 H 1 0.67 0.02 . 2 . . . . . . . . 5842 1 934 . 1 1 99 99 LEU HD22 H 1 0.67 0.02 . 2 . . . . . . . . 5842 1 935 . 1 1 99 99 LEU HD23 H 1 0.67 0.02 . 2 . . . . . . . . 5842 1 936 . 1 1 99 99 LEU C C 13 176.6 0.2 . 1 . . . . . . . . 5842 1 937 . 1 1 99 99 LEU CA C 13 52.9 0.2 . 1 . . . . . . . . 5842 1 938 . 1 1 99 99 LEU CB C 13 41.2 0.2 . 1 . . . . . . . . 5842 1 939 . 1 1 99 99 LEU CD1 C 13 21.5 0.2 . 1 . . . . . . . . 5842 1 940 . 1 1 99 99 LEU CD2 C 13 25.7 0.2 . 1 . . . . . . . . 5842 1 941 . 1 1 99 99 LEU N N 15 117.1 0.2 . 1 . . . . . . . . 5842 1 942 . 1 1 101 101 PRO HA H 1 4.22 0.02 . 1 . . . . . . . . 5842 1 943 . 1 1 101 101 PRO HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5842 1 944 . 1 1 101 101 PRO HB3 H 1 2.38 0.02 . 2 . . . . . . . . 5842 1 945 . 1 1 101 101 PRO HG2 H 1 2.05 0.02 . 2 . . . . . . . . 5842 1 946 . 1 1 101 101 PRO HG3 H 1 2.18 0.02 . 2 . . . . . . . . 5842 1 947 . 1 1 101 101 PRO HD2 H 1 3.86 0.02 . 1 . . . . . . . . 5842 1 948 . 1 1 101 101 PRO HD3 H 1 3.86 0.02 . 1 . . . . . . . . 5842 1 949 . 1 1 101 101 PRO C C 13 179.8 0.2 . 1 . . . . . . . . 5842 1 950 . 1 1 101 101 PRO CA C 13 66.6 0.2 . 1 . . . . . . . . 5842 1 951 . 1 1 101 101 PRO CB C 13 31.9 0.2 . 1 . . . . . . . . 5842 1 952 . 1 1 101 101 PRO CG C 13 27.4 0.2 . 1 . . . . . . . . 5842 1 953 . 1 1 101 101 PRO CD C 13 50.0 0.2 . 1 . . . . . . . . 5842 1 954 . 1 1 102 102 VAL H H 1 8.06 0.02 . 1 . . . . . . . . 5842 1 955 . 1 1 102 102 VAL HA H 1 4.31 0.02 . 1 . . . . . . . . 5842 1 956 . 1 1 102 102 VAL HB H 1 2.40 0.02 . 1 . . . . . . . . 5842 1 957 . 1 1 102 102 VAL HG11 H 1 1.04 0.02 . 1 . . . . . . . . 5842 1 958 . 1 1 102 102 VAL HG12 H 1 1.04 0.02 . 1 . . . . . . . . 5842 1 959 . 1 1 102 102 VAL HG13 H 1 1.04 0.02 . 1 . . . . . . . . 5842 1 960 . 1 1 102 102 VAL HG21 H 1 1.09 0.02 . 1 . . . . . . . . 5842 1 961 . 1 1 102 102 VAL HG22 H 1 1.09 0.02 . 1 . . . . . . . . 5842 1 962 . 1 1 102 102 VAL HG23 H 1 1.09 0.02 . 1 . . . . . . . . 5842 1 963 . 1 1 102 102 VAL C C 13 176.5 0.2 . 1 . . . . . . . . 5842 1 964 . 1 1 102 102 VAL CA C 13 64.0 0.2 . 1 . . . . . . . . 5842 1 965 . 1 1 102 102 VAL CB C 13 31.4 0.2 . 1 . . . . . . . . 5842 1 966 . 1 1 102 102 VAL CG1 C 13 20.9 0.2 . 1 . . . . . . . . 5842 1 967 . 1 1 102 102 VAL CG2 C 13 20.7 0.2 . 1 . . . . . . . . 5842 1 968 . 1 1 102 102 VAL N N 15 112.4 0.2 . 1 . . . . . . . . 5842 1 969 . 1 1 103 103 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 5842 1 970 . 1 1 103 103 LYS HA H 1 4.20 0.02 . 1 . . . . . . . . 5842 1 971 . 1 1 103 103 LYS HB2 H 1 1.68 0.02 . 1 . . . . . . . . 5842 1 972 . 1 1 103 103 LYS HB3 H 1 1.68 0.02 . 1 . . . . . . . . 5842 1 973 . 1 1 103 103 LYS HG2 H 1 1.37 0.02 . 1 . . . . . . . . 5842 1 974 . 1 1 103 103 LYS HG3 H 1 1.37 0.02 . 1 . . . . . . . . 5842 1 975 . 1 1 103 103 LYS C C 13 177.1 0.2 . 1 . . . . . . . . 5842 1 976 . 1 1 103 103 LYS CA C 13 53.8 0.2 . 1 . . . . . . . . 5842 1 977 . 1 1 103 103 LYS CB C 13 33.9 0.2 . 1 . . . . . . . . 5842 1 978 . 1 1 103 103 LYS N N 15 117.0 0.2 . 1 . . . . . . . . 5842 1 979 . 1 1 104 104 VAL H H 1 7.65 0.02 . 1 . . . . . . . . 5842 1 980 . 1 1 104 104 VAL HA H 1 3.65 0.02 . 1 . . . . . . . . 5842 1 981 . 1 1 104 104 VAL HB H 1 2.25 0.02 . 1 . . . . . . . . 5842 1 982 . 1 1 104 104 VAL HG11 H 1 0.97 0.02 . 1 . . . . . . . . 5842 1 983 . 1 1 104 104 VAL HG12 H 1 0.97 0.02 . 1 . . . . . . . . 5842 1 984 . 1 1 104 104 VAL HG13 H 1 0.97 0.02 . 1 . . . . . . . . 5842 1 985 . 1 1 104 104 VAL HG21 H 1 1.01 0.02 . 1 . . . . . . . . 5842 1 986 . 1 1 104 104 VAL HG22 H 1 1.01 0.02 . 1 . . . . . . . . 5842 1 987 . 1 1 104 104 VAL HG23 H 1 1.01 0.02 . 1 . . . . . . . . 5842 1 988 . 1 1 104 104 VAL CA C 13 66.5 0.2 . 1 . . . . . . . . 5842 1 989 . 1 1 104 104 VAL CB C 13 31.6 0.2 . 1 . . . . . . . . 5842 1 990 . 1 1 104 104 VAL CG1 C 13 20.8 0.2 . 1 . . . . . . . . 5842 1 991 . 1 1 104 104 VAL CG2 C 13 23.4 0.2 . 1 . . . . . . . . 5842 1 992 . 1 1 104 104 VAL N N 15 123.2 0.2 . 1 . . . . . . . . 5842 1 993 . 1 1 105 105 HIS HD2 H 1 6.87 0.02 . 1 . . . . . . . . 5842 1 994 . 1 1 105 105 HIS HE1 H 1 8.20 0.02 . 1 . . . . . . . . 5842 1 995 . 1 1 105 105 HIS ND1 N 15 171.4 0.2 . 1 . . . . . . . . 5842 1 996 . 1 1 105 105 HIS NE2 N 15 225.5 0.2 . 1 . . . . . . . . 5842 1 997 . 1 1 105 105 HIS HA H 1 4.32 0.02 . 1 . . . . . . . . 5842 1 998 . 1 1 105 105 HIS HB2 H 1 3.25 0.02 . 1 . . . . . . . . 5842 1 999 . 1 1 105 105 HIS HB3 H 1 3.25 0.02 . 1 . . . . . . . . 5842 1 1000 . 1 1 105 105 HIS C C 13 176.3 0.2 . 1 . . . . . . . . 5842 1 1001 . 1 1 105 105 HIS CA C 13 59.3 0.2 . 1 . . . . . . . . 5842 1 1002 . 1 1 105 105 HIS CB C 13 26.8 0.2 . 1 . . . . . . . . 5842 1 1003 . 1 1 105 105 HIS CD2 C 13 129.7 0.2 . 1 . . . . . . . . 5842 1 1004 . 1 1 106 106 CYS H H 1 7.51 0.02 . 1 . . . . . . . . 5842 1 1005 . 1 1 106 106 CYS HA H 1 3.70 0.02 . 1 . . . . . . . . 5842 1 1006 . 1 1 106 106 CYS HB2 H 1 2.47 0.02 . 1 . . . . . . . . 5842 1 1007 . 1 1 106 106 CYS HB3 H 1 2.47 0.02 . 1 . . . . . . . . 5842 1 1008 . 1 1 106 106 CYS C C 13 175.1 0.2 . 1 . . . . . . . . 5842 1 1009 . 1 1 106 106 CYS CA C 13 62.8 0.2 . 1 . . . . . . . . 5842 1 1010 . 1 1 106 106 CYS CB C 13 28.1 0.2 . 1 . . . . . . . . 5842 1 1011 . 1 1 106 106 CYS N N 15 120.6 0.2 . 1 . . . . . . . . 5842 1 1012 . 1 1 107 107 SER H H 1 7.38 0.02 . 1 . . . . . . . . 5842 1 1013 . 1 1 107 107 SER HA H 1 3.85 0.02 . 1 . . . . . . . . 5842 1 1014 . 1 1 107 107 SER HB2 H 1 3.46 0.02 . 1 . . . . . . . . 5842 1 1015 . 1 1 107 107 SER HB3 H 1 3.46 0.02 . 1 . . . . . . . . 5842 1 1016 . 1 1 107 107 SER HG H 1 5.18 0.02 . 1 . . . . . . . . 5842 1 1017 . 1 1 107 107 SER C C 13 175.4 0.2 . 1 . . . . . . . . 5842 1 1018 . 1 1 107 107 SER CA C 13 60.7 0.2 . 1 . . . . . . . . 5842 1 1019 . 1 1 107 107 SER CB C 13 62.4 0.2 . 1 . . . . . . . . 5842 1 1020 . 1 1 107 107 SER N N 15 114.2 0.2 . 1 . . . . . . . . 5842 1 1021 . 1 1 108 108 ILE H H 1 7.13 0.02 . 1 . . . . . . . . 5842 1 1022 . 1 1 108 108 ILE HA H 1 3.64 0.02 . 1 . . . . . . . . 5842 1 1023 . 1 1 108 108 ILE HB H 1 1.70 0.02 . 1 . . . . . . . . 5842 1 1024 . 1 1 108 108 ILE HG12 H 1 1.54 0.02 . 1 . . . . . . . . 5842 1 1025 . 1 1 108 108 ILE HG13 H 1 1.54 0.02 . 1 . . . . . . . . 5842 1 1026 . 1 1 108 108 ILE HG21 H 1 0.95 0.02 . 1 . . . . . . . . 5842 1 1027 . 1 1 108 108 ILE HG22 H 1 0.95 0.02 . 1 . . . . . . . . 5842 1 1028 . 1 1 108 108 ILE HG23 H 1 0.95 0.02 . 1 . . . . . . . . 5842 1 1029 . 1 1 108 108 ILE HD11 H 1 0.81 0.02 . 1 . . . . . . . . 5842 1 1030 . 1 1 108 108 ILE HD12 H 1 0.81 0.02 . 1 . . . . . . . . 5842 1 1031 . 1 1 108 108 ILE HD13 H 1 0.81 0.02 . 1 . . . . . . . . 5842 1 1032 . 1 1 108 108 ILE C C 13 176.6 0.2 . 1 . . . . . . . . 5842 1 1033 . 1 1 108 108 ILE CA C 13 65.1 0.2 . 1 . . . . . . . . 5842 1 1034 . 1 1 108 108 ILE CB C 13 38.7 0.2 . 1 . . . . . . . . 5842 1 1035 . 1 1 108 108 ILE CG1 C 13 29.2 0.2 . 1 . . . . . . . . 5842 1 1036 . 1 1 108 108 ILE CG2 C 13 16.9 0.2 . 1 . . . . . . . . 5842 1 1037 . 1 1 108 108 ILE CD1 C 13 13.5 0.2 . 1 . . . . . . . . 5842 1 1038 . 1 1 108 108 ILE N N 15 126.0 0.2 . 1 . . . . . . . . 5842 1 1039 . 1 1 109 109 LEU H H 1 7.72 0.02 . 1 . . . . . . . . 5842 1 1040 . 1 1 109 109 LEU HA H 1 4.11 0.02 . 1 . . . . . . . . 5842 1 1041 . 1 1 109 109 LEU HB2 H 1 1.66 0.02 . 2 . . . . . . . . 5842 1 1042 . 1 1 109 109 LEU HB3 H 1 1.89 0.02 . 2 . . . . . . . . 5842 1 1043 . 1 1 109 109 LEU HG H 1 1.79 0.02 . 1 . . . . . . . . 5842 1 1044 . 1 1 109 109 LEU HD11 H 1 0.80 0.02 . 1 . . . . . . . . 5842 1 1045 . 1 1 109 109 LEU HD12 H 1 0.80 0.02 . 1 . . . . . . . . 5842 1 1046 . 1 1 109 109 LEU HD13 H 1 0.80 0.02 . 1 . . . . . . . . 5842 1 1047 . 1 1 109 109 LEU HD21 H 1 0.77 0.02 . 1 . . . . . . . . 5842 1 1048 . 1 1 109 109 LEU HD22 H 1 0.77 0.02 . 1 . . . . . . . . 5842 1 1049 . 1 1 109 109 LEU HD23 H 1 0.77 0.02 . 1 . . . . . . . . 5842 1 1050 . 1 1 109 109 LEU C C 13 177.1 0.2 . 1 . . . . . . . . 5842 1 1051 . 1 1 109 109 LEU CA C 13 57.4 0.2 . 1 . . . . . . . . 5842 1 1052 . 1 1 109 109 LEU CB C 13 42.6 0.2 . 1 . . . . . . . . 5842 1 1053 . 1 1 109 109 LEU CG C 13 25.8 0.2 . 1 . . . . . . . . 5842 1 1054 . 1 1 109 109 LEU CD1 C 13 25.3 0.2 . 1 . . . . . . . . 5842 1 1055 . 1 1 109 109 LEU CD2 C 13 26.4 0.2 . 1 . . . . . . . . 5842 1 1056 . 1 1 109 109 LEU N N 15 119.3 0.2 . 1 . . . . . . . . 5842 1 1057 . 1 1 110 110 ALA H H 1 7.00 0.02 . 1 . . . . . . . . 5842 1 1058 . 1 1 110 110 ALA HA H 1 3.92 0.02 . 1 . . . . . . . . 5842 1 1059 . 1 1 110 110 ALA HB1 H 1 1.14 0.02 . 1 . . . . . . . . 5842 1 1060 . 1 1 110 110 ALA HB2 H 1 1.14 0.02 . 1 . . . . . . . . 5842 1 1061 . 1 1 110 110 ALA HB3 H 1 1.14 0.02 . 1 . . . . . . . . 5842 1 1062 . 1 1 110 110 ALA C C 13 178.0 0.2 . 1 . . . . . . . . 5842 1 1063 . 1 1 110 110 ALA CA C 13 55.0 0.2 . 1 . . . . . . . . 5842 1 1064 . 1 1 110 110 ALA CB C 13 18.3 0.2 . 1 . . . . . . . . 5842 1 1065 . 1 1 110 110 ALA N N 15 116.8 0.2 . 1 . . . . . . . . 5842 1 1066 . 1 1 111 111 GLU H H 1 7.44 0.02 . 1 . . . . . . . . 5842 1 1067 . 1 1 111 111 GLU HA H 1 3.74 0.02 . 1 . . . . . . . . 5842 1 1068 . 1 1 111 111 GLU HB2 H 1 2.31 0.02 . 2 . . . . . . . . 5842 1 1069 . 1 1 111 111 GLU HB3 H 1 2.54 0.02 . 2 . . . . . . . . 5842 1 1070 . 1 1 111 111 GLU HG2 H 1 2.27 0.02 . 2 . . . . . . . . 5842 1 1071 . 1 1 111 111 GLU C C 13 178.0 0.2 . 1 . . . . . . . . 5842 1 1072 . 1 1 111 111 GLU CA C 13 59.5 0.2 . 1 . . . . . . . . 5842 1 1073 . 1 1 111 111 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 5842 1 1074 . 1 1 111 111 GLU CG C 13 36.0 0.2 . 1 . . . . . . . . 5842 1 1075 . 1 1 111 111 GLU N N 15 117.8 0.2 . 1 . . . . . . . . 5842 1 1076 . 1 1 112 112 ASP H H 1 8.87 0.02 . 1 . . . . . . . . 5842 1 1077 . 1 1 112 112 ASP HA H 1 4.33 0.02 . 1 . . . . . . . . 5842 1 1078 . 1 1 112 112 ASP HB2 H 1 2.51 0.02 . 2 . . . . . . . . 5842 1 1079 . 1 1 112 112 ASP HB3 H 1 2.97 0.02 . 2 . . . . . . . . 5842 1 1080 . 1 1 112 112 ASP C C 13 179.9 0.2 . 1 . . . . . . . . 5842 1 1081 . 1 1 112 112 ASP CA C 13 57.2 0.2 . 1 . . . . . . . . 5842 1 1082 . 1 1 112 112 ASP CB C 13 39.6 0.2 . 1 . . . . . . . . 5842 1 1083 . 1 1 112 112 ASP N N 15 119.6 0.2 . 1 . . . . . . . . 5842 1 1084 . 1 1 113 113 ALA H H 1 8.98 0.02 . 1 . . . . . . . . 5842 1 1085 . 1 1 113 113 ALA HA H 1 3.82 0.02 . 1 . . . . . . . . 5842 1 1086 . 1 1 113 113 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 5842 1 1087 . 1 1 113 113 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 5842 1 1088 . 1 1 113 113 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 5842 1 1089 . 1 1 113 113 ALA C C 13 179.4 0.2 . 1 . . . . . . . . 5842 1 1090 . 1 1 113 113 ALA CA C 13 55.8 0.2 . 1 . . . . . . . . 5842 1 1091 . 1 1 113 113 ALA CB C 13 18.5 0.2 . 1 . . . . . . . . 5842 1 1092 . 1 1 113 113 ALA N N 15 124.3 0.2 . 1 . . . . . . . . 5842 1 1093 . 1 1 114 114 ILE H H 1 7.95 0.02 . 1 . . . . . . . . 5842 1 1094 . 1 1 114 114 ILE HA H 1 3.95 0.02 . 1 . . . . . . . . 5842 1 1095 . 1 1 114 114 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 5842 1 1096 . 1 1 114 114 ILE HG12 H 1 1.14 0.02 . 2 . . . . . . . . 5842 1 1097 . 1 1 114 114 ILE HG13 H 1 1.42 0.02 . 2 . . . . . . . . 5842 1 1098 . 1 1 114 114 ILE HG21 H 1 1.04 0.02 . 1 . . . . . . . . 5842 1 1099 . 1 1 114 114 ILE HG22 H 1 1.04 0.02 . 1 . . . . . . . . 5842 1 1100 . 1 1 114 114 ILE HG23 H 1 1.04 0.02 . 1 . . . . . . . . 5842 1 1101 . 1 1 114 114 ILE HD11 H 1 0.81 0.02 . 1 . . . . . . . . 5842 1 1102 . 1 1 114 114 ILE HD12 H 1 0.81 0.02 . 1 . . . . . . . . 5842 1 1103 . 1 1 114 114 ILE HD13 H 1 0.81 0.02 . 1 . . . . . . . . 5842 1 1104 . 1 1 114 114 ILE C C 13 177.4 0.2 . 1 . . . . . . . . 5842 1 1105 . 1 1 114 114 ILE CA C 13 62.5 0.2 . 1 . . . . . . . . 5842 1 1106 . 1 1 114 114 ILE CB C 13 37.3 0.2 . 1 . . . . . . . . 5842 1 1107 . 1 1 114 114 ILE CG1 C 13 29.5 0.2 . 1 . . . . . . . . 5842 1 1108 . 1 1 114 114 ILE CG2 C 13 19.3 0.2 . 1 . . . . . . . . 5842 1 1109 . 1 1 114 114 ILE CD1 C 13 13.9 0.2 . 1 . . . . . . . . 5842 1 1110 . 1 1 114 114 ILE N N 15 117.9 0.2 . 1 . . . . . . . . 5842 1 1111 . 1 1 115 115 LYS H H 1 7.92 0.02 . 1 . . . . . . . . 5842 1 1112 . 1 1 115 115 LYS HA H 1 3.91 0.02 . 1 . . . . . . . . 5842 1 1113 . 1 1 115 115 LYS HB2 H 1 1.91 0.02 . 1 . . . . . . . . 5842 1 1114 . 1 1 115 115 LYS HB3 H 1 1.91 0.02 . 1 . . . . . . . . 5842 1 1115 . 1 1 115 115 LYS HG2 H 1 1.48 0.02 . 2 . . . . . . . . 5842 1 1116 . 1 1 115 115 LYS HG3 H 1 1.90 0.02 . 2 . . . . . . . . 5842 1 1117 . 1 1 115 115 LYS HD2 H 1 1.75 0.02 . 1 . . . . . . . . 5842 1 1118 . 1 1 115 115 LYS HD3 H 1 1.75 0.02 . 1 . . . . . . . . 5842 1 1119 . 1 1 115 115 LYS HE2 H 1 3.08 0.02 . 1 . . . . . . . . 5842 1 1120 . 1 1 115 115 LYS HE3 H 1 3.08 0.02 . 1 . . . . . . . . 5842 1 1121 . 1 1 115 115 LYS C C 13 180.0 0.2 . 1 . . . . . . . . 5842 1 1122 . 1 1 115 115 LYS CA C 13 60.8 0.2 . 1 . . . . . . . . 5842 1 1123 . 1 1 115 115 LYS CB C 13 32.4 0.2 . 1 . . . . . . . . 5842 1 1124 . 1 1 115 115 LYS CG C 13 27.0 0.2 . 1 . . . . . . . . 5842 1 1125 . 1 1 115 115 LYS CD C 13 29.5 0.2 . 1 . . . . . . . . 5842 1 1126 . 1 1 115 115 LYS CE C 13 42.5 0.2 . 1 . . . . . . . . 5842 1 1127 . 1 1 115 115 LYS N N 15 121.3 0.2 . 1 . . . . . . . . 5842 1 1128 . 1 1 116 116 ALA H H 1 8.38 0.02 . 1 . . . . . . . . 5842 1 1129 . 1 1 116 116 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . 5842 1 1130 . 1 1 116 116 ALA HB1 H 1 1.54 0.02 . 1 . . . . . . . . 5842 1 1131 . 1 1 116 116 ALA HB2 H 1 1.54 0.02 . 1 . . . . . . . . 5842 1 1132 . 1 1 116 116 ALA HB3 H 1 1.54 0.02 . 1 . . . . . . . . 5842 1 1133 . 1 1 116 116 ALA C C 13 180.0 0.2 . 1 . . . . . . . . 5842 1 1134 . 1 1 116 116 ALA CA C 13 54.8 0.2 . 1 . . . . . . . . 5842 1 1135 . 1 1 116 116 ALA CB C 13 18.2 0.2 . 1 . . . . . . . . 5842 1 1136 . 1 1 116 116 ALA N N 15 122.2 0.2 . 1 . . . . . . . . 5842 1 1137 . 1 1 117 117 ALA H H 1 8.58 0.02 . 1 . . . . . . . . 5842 1 1138 . 1 1 117 117 ALA HA H 1 3.88 0.02 . 1 . . . . . . . . 5842 1 1139 . 1 1 117 117 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 5842 1 1140 . 1 1 117 117 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 5842 1 1141 . 1 1 117 117 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 5842 1 1142 . 1 1 117 117 ALA C C 13 179.7 0.2 . 1 . . . . . . . . 5842 1 1143 . 1 1 117 117 ALA CA C 13 55.5 0.2 . 1 . . . . . . . . 5842 1 1144 . 1 1 117 117 ALA CB C 13 18.2 0.2 . 1 . . . . . . . . 5842 1 1145 . 1 1 117 117 ALA N N 15 124.8 0.2 . 1 . . . . . . . . 5842 1 1146 . 1 1 118 118 ILE H H 1 8.36 0.02 . 1 . . . . . . . . 5842 1 1147 . 1 1 118 118 ILE HA H 1 3.53 0.02 . 1 . . . . . . . . 5842 1 1148 . 1 1 118 118 ILE HB H 1 1.87 0.02 . 1 . . . . . . . . 5842 1 1149 . 1 1 118 118 ILE HG12 H 1 1.70 0.02 . 2 . . . . . . . . 5842 1 1150 . 1 1 118 118 ILE HG13 H 1 1.97 0.02 . 2 . . . . . . . . 5842 1 1151 . 1 1 118 118 ILE HG21 H 1 0.98 0.02 . 1 . . . . . . . . 5842 1 1152 . 1 1 118 118 ILE HG22 H 1 0.98 0.02 . 1 . . . . . . . . 5842 1 1153 . 1 1 118 118 ILE HG23 H 1 0.98 0.02 . 1 . . . . . . . . 5842 1 1154 . 1 1 118 118 ILE HD11 H 1 0.82 0.02 . 1 . . . . . . . . 5842 1 1155 . 1 1 118 118 ILE HD12 H 1 0.82 0.02 . 1 . . . . . . . . 5842 1 1156 . 1 1 118 118 ILE HD13 H 1 0.82 0.02 . 1 . . . . . . . . 5842 1 1157 . 1 1 118 118 ILE C C 13 177.4 0.2 . 1 . . . . . . . . 5842 1 1158 . 1 1 118 118 ILE CA C 13 66.5 0.2 . 1 . . . . . . . . 5842 1 1159 . 1 1 118 118 ILE CB C 13 38.6 0.2 . 1 . . . . . . . . 5842 1 1160 . 1 1 118 118 ILE CG1 C 13 29.5 0.2 . 1 . . . . . . . . 5842 1 1161 . 1 1 118 118 ILE CG2 C 13 17.4 0.2 . 1 . . . . . . . . 5842 1 1162 . 1 1 118 118 ILE CD1 C 13 14.6 0.2 . 1 . . . . . . . . 5842 1 1163 . 1 1 118 118 ILE N N 15 118.4 0.2 . 1 . . . . . . . . 5842 1 1164 . 1 1 119 119 ALA H H 1 8.06 0.02 . 1 . . . . . . . . 5842 1 1165 . 1 1 119 119 ALA HA H 1 4.11 0.02 . 1 . . . . . . . . 5842 1 1166 . 1 1 119 119 ALA HB1 H 1 1.54 0.02 . 1 . . . . . . . . 5842 1 1167 . 1 1 119 119 ALA HB2 H 1 1.54 0.02 . 1 . . . . . . . . 5842 1 1168 . 1 1 119 119 ALA HB3 H 1 1.54 0.02 . 1 . . . . . . . . 5842 1 1169 . 1 1 119 119 ALA C C 13 180.6 0.2 . 1 . . . . . . . . 5842 1 1170 . 1 1 119 119 ALA CA C 13 55.4 0.2 . 1 . . . . . . . . 5842 1 1171 . 1 1 119 119 ALA CB C 13 18.0 0.2 . 1 . . . . . . . . 5842 1 1172 . 1 1 119 119 ALA N N 15 121.3 0.2 . 1 . . . . . . . . 5842 1 1173 . 1 1 120 120 ASP H H 1 8.10 0.02 . 1 . . . . . . . . 5842 1 1174 . 1 1 120 120 ASP HA H 1 4.48 0.02 . 1 . . . . . . . . 5842 1 1175 . 1 1 120 120 ASP HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5842 1 1176 . 1 1 120 120 ASP HB3 H 1 2.96 0.02 . 2 . . . . . . . . 5842 1 1177 . 1 1 120 120 ASP C C 13 177.3 0.2 . 1 . . . . . . . . 5842 1 1178 . 1 1 120 120 ASP CA C 13 57.8 0.2 . 1 . . . . . . . . 5842 1 1179 . 1 1 120 120 ASP CB C 13 43.9 0.2 . 1 . . . . . . . . 5842 1 1180 . 1 1 120 120 ASP N N 15 119.9 0.2 . 1 . . . . . . . . 5842 1 1181 . 1 1 121 121 TYR H H 1 8.08 0.02 . 1 . . . . . . . . 5842 1 1182 . 1 1 121 121 TYR HA H 1 3.98 0.02 . 1 . . . . . . . . 5842 1 1183 . 1 1 121 121 TYR HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5842 1 1184 . 1 1 121 121 TYR HB3 H 1 3.19 0.02 . 2 . . . . . . . . 5842 1 1185 . 1 1 121 121 TYR HD1 H 1 6.75 0.02 . 1 . . . . . . . . 5842 1 1186 . 1 1 121 121 TYR HD2 H 1 6.75 0.02 . 1 . . . . . . . . 5842 1 1187 . 1 1 121 121 TYR HE1 H 1 6.76 0.02 . 1 . . . . . . . . 5842 1 1188 . 1 1 121 121 TYR HE2 H 1 6.76 0.02 . 1 . . . . . . . . 5842 1 1189 . 1 1 121 121 TYR C C 13 177.8 0.2 . 1 . . . . . . . . 5842 1 1190 . 1 1 121 121 TYR CA C 13 62.0 0.2 . 1 . . . . . . . . 5842 1 1191 . 1 1 121 121 TYR CB C 13 37.9 0.2 . 1 . . . . . . . . 5842 1 1192 . 1 1 121 121 TYR CD1 C 13 132.5 0.2 . 1 . . . . . . . . 5842 1 1193 . 1 1 121 121 TYR CD2 C 13 132.5 0.2 . 1 . . . . . . . . 5842 1 1194 . 1 1 121 121 TYR CE1 C 13 118.5 0.2 . 1 . . . . . . . . 5842 1 1195 . 1 1 121 121 TYR CE2 C 13 118.5 0.2 . 1 . . . . . . . . 5842 1 1196 . 1 1 121 121 TYR N N 15 118.5 0.2 . 1 . . . . . . . . 5842 1 1197 . 1 1 122 122 LYS H H 1 8.83 0.02 . 1 . . . . . . . . 5842 1 1198 . 1 1 122 122 LYS HA H 1 3.55 0.02 . 1 . . . . . . . . 5842 1 1199 . 1 1 122 122 LYS HB2 H 1 1.92 0.02 . 2 . . . . . . . . 5842 1 1200 . 1 1 122 122 LYS HD2 H 1 1.80 0.02 . 2 . . . . . . . . 5842 1 1201 . 1 1 122 122 LYS HE2 H 1 3.00 0.02 . 2 . . . . . . . . 5842 1 1202 . 1 1 122 122 LYS C C 13 179.9 0.2 . 1 . . . . . . . . 5842 1 1203 . 1 1 122 122 LYS CA C 13 60.4 0.2 . 1 . . . . . . . . 5842 1 1204 . 1 1 122 122 LYS CB C 13 32.3 0.2 . 1 . . . . . . . . 5842 1 1205 . 1 1 122 122 LYS CG C 13 26.6 0.2 . 1 . . . . . . . . 5842 1 1206 . 1 1 122 122 LYS CD C 13 33.1 0.2 . 1 . . . . . . . . 5842 1 1207 . 1 1 122 122 LYS CE C 13 41.9 0.2 . 1 . . . . . . . . 5842 1 1208 . 1 1 122 122 LYS N N 15 118.5 0.2 . 1 . . . . . . . . 5842 1 1209 . 1 1 123 123 ALA H H 1 8.15 0.02 . 1 . . . . . . . . 5842 1 1210 . 1 1 123 123 ALA HA H 1 4.12 0.02 . 1 . . . . . . . . 5842 1 1211 . 1 1 123 123 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 5842 1 1212 . 1 1 123 123 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 5842 1 1213 . 1 1 123 123 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 5842 1 1214 . 1 1 123 123 ALA C C 13 180.5 0.2 . 1 . . . . . . . . 5842 1 1215 . 1 1 123 123 ALA CA C 13 54.6 0.2 . 1 . . . . . . . . 5842 1 1216 . 1 1 123 123 ALA CB C 13 17.9 0.2 . 1 . . . . . . . . 5842 1 1217 . 1 1 123 123 ALA N N 15 122.4 0.2 . 1 . . . . . . . . 5842 1 1218 . 1 1 124 124 LYS H H 1 7.82 0.02 . 1 . . . . . . . . 5842 1 1219 . 1 1 124 124 LYS HA H 1 4.00 0.02 . 1 . . . . . . . . 5842 1 1220 . 1 1 124 124 LYS C C 13 178.9 0.2 . 1 . . . . . . . . 5842 1 1221 . 1 1 124 124 LYS CA C 13 59.0 0.2 . 1 . . . . . . . . 5842 1 1222 . 1 1 124 124 LYS CB C 13 33.2 0.2 . 1 . . . . . . . . 5842 1 1223 . 1 1 124 124 LYS N N 15 118.3 0.2 . 1 . . . . . . . . 5842 1 1224 . 1 1 125 125 GLN H H 1 7.59 0.02 . 1 . . . . . . . . 5842 1 1225 . 1 1 125 125 GLN HA H 1 3.94 0.02 . 1 . . . . . . . . 5842 1 1226 . 1 1 125 125 GLN HB2 H 1 2.10 0.02 . 1 . . . . . . . . 5842 1 1227 . 1 1 125 125 GLN HB3 H 1 2.10 0.02 . 1 . . . . . . . . 5842 1 1228 . 1 1 125 125 GLN HG2 H 1 1.91 0.02 . 1 . . . . . . . . 5842 1 1229 . 1 1 125 125 GLN HG3 H 1 1.91 0.02 . 1 . . . . . . . . 5842 1 1230 . 1 1 125 125 GLN HE21 H 1 6.95 0.02 . 2 . . . . . . . . 5842 1 1231 . 1 1 125 125 GLN HE22 H 1 6.64 0.02 . 2 . . . . . . . . 5842 1 1232 . 1 1 125 125 GLN C C 13 177.4 0.2 . 1 . . . . . . . . 5842 1 1233 . 1 1 125 125 GLN CA C 13 56.0 0.2 . 1 . . . . . . . . 5842 1 1234 . 1 1 125 125 GLN CB C 13 28.2 0.2 . 1 . . . . . . . . 5842 1 1235 . 1 1 125 125 GLN CG C 13 32.8 0.2 . 1 . . . . . . . . 5842 1 1236 . 1 1 125 125 GLN N N 15 116.3 0.2 . 1 . . . . . . . . 5842 1 1237 . 1 1 125 125 GLN NE2 N 15 117.4 0.2 . 1 . . . . . . . . 5842 1 1238 . 1 1 126 126 GLY H H 1 7.90 0.02 . 1 . . . . . . . . 5842 1 1239 . 1 1 126 126 GLY HA2 H 1 3.92 0.02 . 1 . . . . . . . . 5842 1 1240 . 1 1 126 126 GLY HA3 H 1 3.92 0.02 . 1 . . . . . . . . 5842 1 1241 . 1 1 126 126 GLY C C 13 174.8 0.2 . 1 . . . . . . . . 5842 1 1242 . 1 1 126 126 GLY CA C 13 45.8 0.2 . 1 . . . . . . . . 5842 1 1243 . 1 1 126 126 GLY N N 15 107.0 0.2 . 1 . . . . . . . . 5842 1 1244 . 1 1 127 127 LEU H H 1 7.78 0.02 . 1 . . . . . . . . 5842 1 1245 . 1 1 127 127 LEU HA H 1 4.23 0.02 . 1 . . . . . . . . 5842 1 1246 . 1 1 127 127 LEU HB2 H 1 1.55 0.02 . 1 . . . . . . . . 5842 1 1247 . 1 1 127 127 LEU HB3 H 1 1.55 0.02 . 1 . . . . . . . . 5842 1 1248 . 1 1 127 127 LEU HG H 1 1.60 0.02 . 1 . . . . . . . . 5842 1 1249 . 1 1 127 127 LEU HD11 H 1 0.89 0.02 . 1 . . . . . . . . 5842 1 1250 . 1 1 127 127 LEU HD12 H 1 0.89 0.02 . 1 . . . . . . . . 5842 1 1251 . 1 1 127 127 LEU HD13 H 1 0.89 0.02 . 1 . . . . . . . . 5842 1 1252 . 1 1 127 127 LEU HD21 H 1 0.82 0.02 . 1 . . . . . . . . 5842 1 1253 . 1 1 127 127 LEU HD22 H 1 0.82 0.02 . 1 . . . . . . . . 5842 1 1254 . 1 1 127 127 LEU HD23 H 1 0.82 0.02 . 1 . . . . . . . . 5842 1 1255 . 1 1 127 127 LEU C C 13 177.8 0.2 . 1 . . . . . . . . 5842 1 1256 . 1 1 127 127 LEU CA C 13 55.6 0.2 . 1 . . . . . . . . 5842 1 1257 . 1 1 127 127 LEU CB C 13 42.5 0.2 . 1 . . . . . . . . 5842 1 1258 . 1 1 127 127 LEU CG C 13 27.1 0.2 . 1 . . . . . . . . 5842 1 1259 . 1 1 127 127 LEU CD1 C 13 25.0 0.2 . 1 . . . . . . . . 5842 1 1260 . 1 1 127 127 LEU CD2 C 13 22.9 0.2 . 1 . . . . . . . . 5842 1 1261 . 1 1 127 127 LEU N N 15 120.6 0.2 . 1 . . . . . . . . 5842 1 1262 . 1 1 128 128 GLU H H 1 8.14 0.02 . 1 . . . . . . . . 5842 1 1263 . 1 1 128 128 GLU HA H 1 4.13 0.02 . 1 . . . . . . . . 5842 1 1264 . 1 1 128 128 GLU HB2 H 1 1.84 0.02 . 2 . . . . . . . . 5842 1 1265 . 1 1 128 128 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5842 1 1266 . 1 1 128 128 GLU HG2 H 1 2.10 0.02 . 2 . . . . . . . . 5842 1 1267 . 1 1 128 128 GLU HG3 H 1 2.15 0.02 . 2 . . . . . . . . 5842 1 1268 . 1 1 128 128 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 5842 1 1269 . 1 1 128 128 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 5842 1 1270 . 1 1 128 128 GLU CB C 13 30.0 0.2 . 1 . . . . . . . . 5842 1 1271 . 1 1 128 128 GLU CG C 13 35.9 0.2 . 1 . . . . . . . . 5842 1 1272 . 1 1 128 128 GLU N N 15 119.5 0.2 . 1 . . . . . . . . 5842 1 1273 . 1 1 129 129 HIS H H 1 8.18 0.02 . 1 . . . . . . . . 5842 1 1274 . 1 1 129 129 HIS HA H 1 4.54 0.02 . 1 . . . . . . . . 5842 1 1275 . 1 1 129 129 HIS HB2 H 1 3.03 0.02 . 1 . . . . . . . . 5842 1 1276 . 1 1 129 129 HIS HB3 H 1 3.03 0.02 . 1 . . . . . . . . 5842 1 1277 . 1 1 129 129 HIS C C 13 173.8 0.2 . 1 . . . . . . . . 5842 1 1278 . 1 1 129 129 HIS N N 15 118.8 0.2 . 1 . . . . . . . . 5842 1 1279 . 1 1 129 129 HIS CA C 13 55.9 0.2 . 1 . . . . . . . . 5842 1 1280 . 1 1 129 129 HIS CB C 13 29.9 0.2 . 1 . . . . . . . . 5842 1 1281 . 1 1 130 130 HIS H H 1 8.20 0.02 . 1 . . . . . . . . 5842 1 1282 . 1 1 130 130 HIS HA H 1 4.42 0.02 . 1 . . . . . . . . 5842 1 1283 . 1 1 130 130 HIS HB2 H 1 3.03 0.02 . 2 . . . . . . . . 5842 1 1284 . 1 1 130 130 HIS HB3 H 1 3.09 0.02 . 2 . . . . . . . . 5842 1 1285 . 1 1 130 130 HIS CA C 13 57.2 0.2 . 1 . . . . . . . . 5842 1 1286 . 1 1 130 130 HIS N N 15 125.3 0.2 . 1 . . . . . . . . 5842 1 1287 . 1 1 130 130 HIS CB C 13 30.1 0.2 . 1 . . . . . . . . 5842 1 stop_ save_