data_5658 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5658 _Entry.Title ; Sequence specific backbone assignment of 13C, 2H, 15N labeled ISG15 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-01-13 _Entry.Accession_date 2003-01-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Cuifeng Yin . . . 5658 2 John Cort . R. . 5658 3 G. Swapna . V.T. . 5658 4 Robert Krug . M. . 5658 5 Michael Kennedy . A. . 5658 6 Gaetano Montelione . T. . 5658 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5658 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 399 5658 '13C chemical shifts' 530 5658 '15N chemical shifts' 162 5658 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 . . 2011-03-16 2003-01-13 update author 'update entry citation' 5658 1 . . 2003-02-25 2003-01-13 original author 'original release' 5658 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5658 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Backbone and Ile-delta1, Leu, Val methyl 1H, 13C, and 15N NMR chemical shift assignments for human interferon-stimulated gene 15 protein' _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Cuifeng Yin . . . 5658 1 2 J. Aramini . M. . 5658 1 3 L.-C. Ma . . . 5658 1 4 John Cort . R. . 5658 1 5 G. Swapna . V.T. . 5658 1 6 Robert Krug . M. . 5658 1 7 Gaetano Montelione . T. . 5658 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5658 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9217263 _Citation.Full_citation ; Zimmerman DE, Kulikowski CA, Huang Y, Feng W, Tashiro M, Shimotakahara S, Chien C, Powers R, Montelione GT. Automated analysis of protein NMR assignments using methods from artificial intelligence. J Mol Biol. 1997 Jun 20;269(4):592-610. ; _Citation.Title 'Automated analysis of protein NMR assignments using methods from artificial intelligence.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 269 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-2836 _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 592 _Citation.Page_last 610 _Citation.Year 1997 _Citation.Details ; An expert system for determining resonance assignments from NMR spectra of proteins is described. Given the amino acid sequence, a two-dimensional 15N-1H heteronuclear correlation spectrum and seven to eight three-dimensional triple-resonance NMR spectra for seven proteins, AUTOASSIGN obtained an average of 98% of sequence-specific spin-system assignments with an error rate of less than 0.5%. Execution times on a Sparc 10 workstation varied from 16 seconds for smaller proteins with simple spectra to one to nine minutes for medium size proteins exhibiting numerous extra spin systems attributed to conformational isomerization. AUTOASSIGN combines symbolic constraint satisfaction methods with a domain-specific knowledge base to exploit the logical structure of the sequential assignment problem, the specific features of the various NMR experiments, and the expected chemical shift frequencies of different amino acids. The current implementation specializes in the analysis of data derived from the most sensitive of the currently available triple-resonance experiments. Potential extensions of the system for analysis of additional types of protein NMR data are also discussed. ; 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 'D. E.' Zimmerman D. E. . 5658 2 2 'C. A.' Kulikowski C. A. . 5658 2 3 Y. Huang Y. . . 5658 2 4 W. Feng W. . . 5658 2 5 M. Tashiro M. . . 5658 2 6 S. Shimotakahara S. . . 5658 2 7 C. Chien C. . . 5658 2 8 R. Powers R. . . 5658 2 9 'G. T.' Montelione G. T. . 5658 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 5658 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11462827 _Citation.Full_citation ; Moseley HN, Monleon D, Montelione GT. Automatic determination of protein backbone resonance assignments from triple resonance nuclear magnetic resonance data. Methods Enzymol. 2001;339:91-108. ; _Citation.Title 'Automatic determination of protein backbone resonance assignments from triple resonance nuclear magnetic resonance data.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Meth. Enzymol.' _Citation.Journal_name_full 'Methods in enzymology' _Citation.Journal_volume 339 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 0076-6879 _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 91 _Citation.Page_last 108 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'H. N.' Moseley H. N. . 5658 3 2 D. Monleon D. . . 5658 3 3 'G. T.' Montelione G. T. . 5658 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ISG15 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ISG15 _Assembly.Entry_ID 5658 _Assembly.ID 1 _Assembly.Name ISG15 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 5658 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 'ISG15 monomer' 1 $ISG15 . . . native . . . . . 5658 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ISG15 system 5658 1 ISG15 abbreviation 5658 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ISG15 _Entity.Sf_category entity _Entity.Sf_framecode ISG15 _Entity.Entry_ID 5658 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ISG15 _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 ; SHHHHHHMGWDLTVKMLAGN EFQVSLSSSMSVSELKAQIT QKIGVHAFQQRLAVHPSGVA LQDRVPLASQGLGPGSTVLL VVDKCDEPLSILVRNNKGRS STYEVRLTQTVAHLKQQVSG LEGVQDDLFWLTFEGKPLED QLPLGEYGLKPLSTVFMNLR LRGG ; _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 164 _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 18055.6 _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 1Z2M . "Crystal Structure Of Isg15, The Interferon-Induced Ubiquitin Cross Reactive Protein" . . . . . 94.51 155 99.35 99.35 2.52e-105 . . . . 5658 1 2 no PDB 3PSE . "Structure Of A Viral Otu Domain Protease Bound To Interferon- Stimulated Gene 15 (Isg15)" . . . . . 95.12 156 98.72 99.36 1.25e-105 . . . . 5658 1 3 no PDB 3R66 . "Crystal Structure Of Human Isg15 In Complex With Ns1 N-terminal Region From Influenza Virus B, Northeast Structural Genomics Co" . . . . . 100.00 164 99.39 99.39 6.65e-113 . . . . 5658 1 4 no PDB 3RT3 . "Complex Of Influenza Virus Protein With Host Anti-Viral Factor" . . . . . 95.73 159 99.36 99.36 1.08e-106 . . . . 5658 1 5 no PDB 3SDL . "Crystal Structure Of Human Isg15 In Complex With Ns1 N-Terminal Region From Influenza B Virus, Northeast Structural Genomics Co" . . . . . 100.00 164 100.00 100.00 1.33e-114 . . . . 5658 1 6 no DBJ BAJ20347 . "ISG15 ubiquitin-like modifier [synthetic construct]" . . . . . 95.73 165 99.36 100.00 1.36e-107 . . . . 5658 1 7 no GB AAA36038 . "17-kDa protein [Homo sapiens]" . . . . . 95.73 165 100.00 100.00 4.67e-108 . . . . 5658 1 8 no GB AAA36128 . "15-kDa protein, partial [Homo sapiens]" . . . . . 95.73 165 99.36 99.36 2.62e-107 . . . . 5658 1 9 no GB AAH09507 . "ISG15 ubiquitin-like modifier [Homo sapiens]" . . . . . 95.73 165 99.36 100.00 1.36e-107 . . . . 5658 1 10 no GB AAN86983 . "ubiquitin-like protein ISG15 [Homo sapiens]" . . . . . 95.73 165 99.36 100.00 1.36e-107 . . . . 5658 1 11 no GB AAP35961 . "interferon, alpha-inducible protein (clone IFI-15K) [Homo sapiens]" . . . . . 95.73 165 99.36 100.00 1.36e-107 . . . . 5658 1 12 no REF NP_005092 . "ubiquitin-like protein ISG15 precursor [Homo sapiens]" . . . . . 95.73 165 100.00 100.00 4.67e-108 . . . . 5658 1 13 no REF XP_003806031 . "PREDICTED: ubiquitin-like protein ISG15 [Pan paniscus]" . . . . . 95.73 165 98.73 100.00 4.33e-107 . . . . 5658 1 14 no REF XP_009452953 . "PREDICTED: ubiquitin-like protein ISG15 [Pan troglodytes]" . . . . . 95.73 165 98.09 99.36 9.65e-106 . . . . 5658 1 15 no REF XP_520842 . "PREDICTED: ubiquitin-like protein ISG15 [Pan troglodytes]" . . . . . 95.73 165 98.09 99.36 9.65e-106 . . . . 5658 1 16 no SP P05161 . "RecName: Full=Ubiquitin-like protein ISG15; AltName: Full=Interferon-induced 15 kDa protein; AltName: Full=Interferon-induced 1" . . . . . 95.73 165 100.00 100.00 4.67e-108 . . . . 5658 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Interferon-Stimulated gene 15 product' common 5658 1 ISG15 abbreviation 5658 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 . SER . 5658 1 2 . HIS . 5658 1 3 . HIS . 5658 1 4 . HIS . 5658 1 5 . HIS . 5658 1 6 . HIS . 5658 1 7 . HIS . 5658 1 8 . MET . 5658 1 9 . GLY . 5658 1 10 . TRP . 5658 1 11 . ASP . 5658 1 12 . LEU . 5658 1 13 . THR . 5658 1 14 . VAL . 5658 1 15 . LYS . 5658 1 16 . MET . 5658 1 17 . LEU . 5658 1 18 . ALA . 5658 1 19 . GLY . 5658 1 20 . ASN . 5658 1 21 . GLU . 5658 1 22 . PHE . 5658 1 23 . GLN . 5658 1 24 . VAL . 5658 1 25 . SER . 5658 1 26 . LEU . 5658 1 27 . SER . 5658 1 28 . SER . 5658 1 29 . SER . 5658 1 30 . MET . 5658 1 31 . SER . 5658 1 32 . VAL . 5658 1 33 . SER . 5658 1 34 . GLU . 5658 1 35 . LEU . 5658 1 36 . LYS . 5658 1 37 . ALA . 5658 1 38 . GLN . 5658 1 39 . ILE . 5658 1 40 . THR . 5658 1 41 . GLN . 5658 1 42 . LYS . 5658 1 43 . ILE . 5658 1 44 . GLY . 5658 1 45 . VAL . 5658 1 46 . HIS . 5658 1 47 . ALA . 5658 1 48 . PHE . 5658 1 49 . GLN . 5658 1 50 . GLN . 5658 1 51 . ARG . 5658 1 52 . LEU . 5658 1 53 . ALA . 5658 1 54 . VAL . 5658 1 55 . HIS . 5658 1 56 . PRO . 5658 1 57 . SER . 5658 1 58 . GLY . 5658 1 59 . VAL . 5658 1 60 . ALA . 5658 1 61 . LEU . 5658 1 62 . GLN . 5658 1 63 . ASP . 5658 1 64 . ARG . 5658 1 65 . VAL . 5658 1 66 . PRO . 5658 1 67 . LEU . 5658 1 68 . ALA . 5658 1 69 . SER . 5658 1 70 . GLN . 5658 1 71 . GLY . 5658 1 72 . LEU . 5658 1 73 . GLY . 5658 1 74 . PRO . 5658 1 75 . GLY . 5658 1 76 . SER . 5658 1 77 . THR . 5658 1 78 . VAL . 5658 1 79 . LEU . 5658 1 80 . LEU . 5658 1 81 . VAL . 5658 1 82 . VAL . 5658 1 83 . ASP . 5658 1 84 . LYS . 5658 1 85 . CYS . 5658 1 86 . ASP . 5658 1 87 . GLU . 5658 1 88 . PRO . 5658 1 89 . LEU . 5658 1 90 . SER . 5658 1 91 . ILE . 5658 1 92 . LEU . 5658 1 93 . VAL . 5658 1 94 . ARG . 5658 1 95 . ASN . 5658 1 96 . ASN . 5658 1 97 . LYS . 5658 1 98 . GLY . 5658 1 99 . ARG . 5658 1 100 . SER . 5658 1 101 . SER . 5658 1 102 . THR . 5658 1 103 . TYR . 5658 1 104 . GLU . 5658 1 105 . VAL . 5658 1 106 . ARG . 5658 1 107 . LEU . 5658 1 108 . THR . 5658 1 109 . GLN . 5658 1 110 . THR . 5658 1 111 . VAL . 5658 1 112 . ALA . 5658 1 113 . HIS . 5658 1 114 . LEU . 5658 1 115 . LYS . 5658 1 116 . GLN . 5658 1 117 . GLN . 5658 1 118 . VAL . 5658 1 119 . SER . 5658 1 120 . GLY . 5658 1 121 . LEU . 5658 1 122 . GLU . 5658 1 123 . GLY . 5658 1 124 . VAL . 5658 1 125 . GLN . 5658 1 126 . ASP . 5658 1 127 . ASP . 5658 1 128 . LEU . 5658 1 129 . PHE . 5658 1 130 . TRP . 5658 1 131 . LEU . 5658 1 132 . THR . 5658 1 133 . PHE . 5658 1 134 . GLU . 5658 1 135 . GLY . 5658 1 136 . LYS . 5658 1 137 . PRO . 5658 1 138 . LEU . 5658 1 139 . GLU . 5658 1 140 . ASP . 5658 1 141 . GLN . 5658 1 142 . LEU . 5658 1 143 . PRO . 5658 1 144 . LEU . 5658 1 145 . GLY . 5658 1 146 . GLU . 5658 1 147 . TYR . 5658 1 148 . GLY . 5658 1 149 . LEU . 5658 1 150 . LYS . 5658 1 151 . PRO . 5658 1 152 . LEU . 5658 1 153 . SER . 5658 1 154 . THR . 5658 1 155 . VAL . 5658 1 156 . PHE . 5658 1 157 . MET . 5658 1 158 . ASN . 5658 1 159 . LEU . 5658 1 160 . ARG . 5658 1 161 . LEU . 5658 1 162 . ARG . 5658 1 163 . GLY . 5658 1 164 . GLY . 5658 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 . SER 1 1 5658 1 . HIS 2 2 5658 1 . HIS 3 3 5658 1 . HIS 4 4 5658 1 . HIS 5 5 5658 1 . HIS 6 6 5658 1 . HIS 7 7 5658 1 . MET 8 8 5658 1 . GLY 9 9 5658 1 . TRP 10 10 5658 1 . ASP 11 11 5658 1 . LEU 12 12 5658 1 . THR 13 13 5658 1 . VAL 14 14 5658 1 . LYS 15 15 5658 1 . MET 16 16 5658 1 . LEU 17 17 5658 1 . ALA 18 18 5658 1 . GLY 19 19 5658 1 . ASN 20 20 5658 1 . GLU 21 21 5658 1 . PHE 22 22 5658 1 . GLN 23 23 5658 1 . VAL 24 24 5658 1 . SER 25 25 5658 1 . LEU 26 26 5658 1 . SER 27 27 5658 1 . SER 28 28 5658 1 . SER 29 29 5658 1 . MET 30 30 5658 1 . SER 31 31 5658 1 . VAL 32 32 5658 1 . SER 33 33 5658 1 . GLU 34 34 5658 1 . LEU 35 35 5658 1 . LYS 36 36 5658 1 . ALA 37 37 5658 1 . GLN 38 38 5658 1 . ILE 39 39 5658 1 . THR 40 40 5658 1 . GLN 41 41 5658 1 . LYS 42 42 5658 1 . ILE 43 43 5658 1 . GLY 44 44 5658 1 . VAL 45 45 5658 1 . HIS 46 46 5658 1 . ALA 47 47 5658 1 . PHE 48 48 5658 1 . GLN 49 49 5658 1 . GLN 50 50 5658 1 . ARG 51 51 5658 1 . LEU 52 52 5658 1 . ALA 53 53 5658 1 . VAL 54 54 5658 1 . HIS 55 55 5658 1 . PRO 56 56 5658 1 . SER 57 57 5658 1 . GLY 58 58 5658 1 . VAL 59 59 5658 1 . ALA 60 60 5658 1 . LEU 61 61 5658 1 . GLN 62 62 5658 1 . ASP 63 63 5658 1 . ARG 64 64 5658 1 . VAL 65 65 5658 1 . PRO 66 66 5658 1 . LEU 67 67 5658 1 . ALA 68 68 5658 1 . SER 69 69 5658 1 . GLN 70 70 5658 1 . GLY 71 71 5658 1 . LEU 72 72 5658 1 . GLY 73 73 5658 1 . PRO 74 74 5658 1 . GLY 75 75 5658 1 . SER 76 76 5658 1 . THR 77 77 5658 1 . VAL 78 78 5658 1 . LEU 79 79 5658 1 . LEU 80 80 5658 1 . VAL 81 81 5658 1 . VAL 82 82 5658 1 . ASP 83 83 5658 1 . LYS 84 84 5658 1 . CYS 85 85 5658 1 . ASP 86 86 5658 1 . GLU 87 87 5658 1 . PRO 88 88 5658 1 . LEU 89 89 5658 1 . SER 90 90 5658 1 . ILE 91 91 5658 1 . LEU 92 92 5658 1 . VAL 93 93 5658 1 . ARG 94 94 5658 1 . ASN 95 95 5658 1 . ASN 96 96 5658 1 . LYS 97 97 5658 1 . GLY 98 98 5658 1 . ARG 99 99 5658 1 . SER 100 100 5658 1 . SER 101 101 5658 1 . THR 102 102 5658 1 . TYR 103 103 5658 1 . GLU 104 104 5658 1 . VAL 105 105 5658 1 . ARG 106 106 5658 1 . LEU 107 107 5658 1 . THR 108 108 5658 1 . GLN 109 109 5658 1 . THR 110 110 5658 1 . VAL 111 111 5658 1 . ALA 112 112 5658 1 . HIS 113 113 5658 1 . LEU 114 114 5658 1 . LYS 115 115 5658 1 . GLN 116 116 5658 1 . GLN 117 117 5658 1 . VAL 118 118 5658 1 . SER 119 119 5658 1 . GLY 120 120 5658 1 . LEU 121 121 5658 1 . GLU 122 122 5658 1 . GLY 123 123 5658 1 . VAL 124 124 5658 1 . GLN 125 125 5658 1 . ASP 126 126 5658 1 . ASP 127 127 5658 1 . LEU 128 128 5658 1 . PHE 129 129 5658 1 . TRP 130 130 5658 1 . LEU 131 131 5658 1 . THR 132 132 5658 1 . PHE 133 133 5658 1 . GLU 134 134 5658 1 . GLY 135 135 5658 1 . LYS 136 136 5658 1 . PRO 137 137 5658 1 . LEU 138 138 5658 1 . GLU 139 139 5658 1 . ASP 140 140 5658 1 . GLN 141 141 5658 1 . LEU 142 142 5658 1 . PRO 143 143 5658 1 . LEU 144 144 5658 1 . GLY 145 145 5658 1 . GLU 146 146 5658 1 . TYR 147 147 5658 1 . GLY 148 148 5658 1 . LEU 149 149 5658 1 . LYS 150 150 5658 1 . PRO 151 151 5658 1 . LEU 152 152 5658 1 . SER 153 153 5658 1 . THR 154 154 5658 1 . VAL 155 155 5658 1 . PHE 156 156 5658 1 . MET 157 157 5658 1 . ASN 158 158 5658 1 . LEU 159 159 5658 1 . ARG 160 160 5658 1 . LEU 161 161 5658 1 . ARG 162 162 5658 1 . GLY 163 163 5658 1 . GLY 164 164 5658 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 5658 _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 $ISG15 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . isg15 . . . . 5658 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 5658 _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 $ISG15 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 PRO . . . . . . . . . . . plasmid . . pKM596 . . . . . . 5658 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5658 _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 'Interferon-Stimulated gene 15 product' '[U-70% 2H; U-100% 13C; U-100% 15N]' . . 1 $ISG15 . . 0.7 . . mM . . . . 5658 1 2 'ammonium citrate' . . . . . . . 50 . . mM . . . . 5658 1 3 CaCl2 . . . . . . . 5 . . mM . . . . 5658 1 4 DTT . . . . . . . 10 . . mM . . . . 5658 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5658 _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 5658 1 temperature 291 0.1 K 5658 1 stop_ save_ ############################ # Computer software used # ############################ save_AUTOASSIGN _Software.Sf_category software _Software.Sf_framecode AUTOASSIGN _Software.Entry_ID 5658 _Software.ID 1 _Software.Name AUTOASSIGN _Software.Version 1.10.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated peak assignments' 5658 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5658 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5658 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 750 . . . 5658 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 5658 _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 NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5658 1 2 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5658 1 3 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5658 1 4 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5658 1 5 HN(CA)CO . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5658 1 6 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5658 1 7 HN(CO)CACB . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5658 1 8 HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5658 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5658 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $AUTOASSIGN _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5658 _NMR_spec_expt.ID 2 _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $AUTOASSIGN _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5658 _NMR_spec_expt.ID 3 _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $AUTOASSIGN _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5658 _NMR_spec_expt.ID 4 _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $AUTOASSIGN _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5658 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $AUTOASSIGN _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5658 _NMR_spec_expt.ID 6 _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $AUTOASSIGN _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5658 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $AUTOASSIGN _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5658 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $AUTOASSIGN _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5658 _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 external direct 1.0 . . . . . . . . . 5658 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5658 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5658 1 H 2 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.153506088 . . . . . . . . . 5658 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 5658 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 '1H-15N NOESY' 1 $sample_1 . 5658 1 2 HNCA 1 $sample_1 . 5658 1 3 HN(CO)CA 1 $sample_1 . 5658 1 4 HNCO 1 $sample_1 . 5658 1 5 HN(CA)CO 1 $sample_1 . 5658 1 6 HNCACB 1 $sample_1 . 5658 1 7 HN(CO)CACB 1 $sample_1 . 5658 1 8 HSQC 1 $sample_1 . 5658 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 8 8 MET H H 1 8.49 0.02 . 1 . . . . 8 MET H . 5658 1 2 . 1 1 8 8 MET C C 13 176.1 0.2 . 1 . . . . 8 MET C . 5658 1 3 . 1 1 8 8 MET CA C 13 54.95 0.2 . 1 . . . . 8 MET CA . 5658 1 4 . 1 1 8 8 MET CB C 13 31.93 0.2 . 1 . . . . 8 MET CB . 5658 1 5 . 1 1 8 8 MET N N 15 121.9 0.1 . 1 . . . . 8 MET N . 5658 1 6 . 1 1 9 9 GLY H H 1 8.30 0.02 . 1 . . . . 9 GLY H . 5658 1 7 . 1 1 9 9 GLY C C 13 173.0 0.2 . 1 . . . . 9 GLY C . 5658 1 8 . 1 1 9 9 GLY CA C 13 44.51 0.2 . 1 . . . . 9 GLY CA . 5658 1 9 . 1 1 9 9 GLY N N 15 109.8 0.1 . 1 . . . . 9 GLY N . 5658 1 10 . 1 1 10 10 TRP H H 1 8.33 0.02 . 1 . . . . 10 TRP H . 5658 1 11 . 1 1 10 10 TRP HE1 H 1 9.88 . . 1 . . . . 10 TRP HE1 . 5658 1 12 . 1 1 10 10 TRP C C 13 174.1 0.2 . 1 . . . . 10 TRP C . 5658 1 13 . 1 1 10 10 TRP CA C 13 54.96 0.2 . 1 . . . . 10 TRP CA . 5658 1 14 . 1 1 10 10 TRP CB C 13 30.40 0.2 . 1 . . . . 10 TRP CB . 5658 1 15 . 1 1 10 10 TRP N N 15 120.3 0.1 . 1 . . . . 10 TRP N . 5658 1 16 . 1 1 10 10 TRP NE1 N 15 128.4 . . 1 . . . . 10 TRP NE1 . 5658 1 17 . 1 1 11 11 ASP H H 1 8.57 0.02 . 1 . . . . 11 ASP H . 5658 1 18 . 1 1 11 11 ASP C C 13 175.0 0.2 . 1 . . . . 11 ASP C . 5658 1 19 . 1 1 11 11 ASP CA C 13 53.16 0.2 . 1 . . . . 11 ASP CA . 5658 1 20 . 1 1 11 11 ASP CB C 13 41.84 0.2 . 1 . . . . 11 ASP CB . 5658 1 21 . 1 1 11 11 ASP N N 15 120.3 0.1 . 1 . . . . 11 ASP N . 5658 1 22 . 1 1 12 12 LEU H H 1 8.81 0.02 . 1 . . . . 12 LEU H . 5658 1 23 . 1 1 12 12 LEU HD11 H 1 0.83 . . 2 . . . . 12 LEU HD11 . 5658 1 24 . 1 1 12 12 LEU HD12 H 1 0.83 . . 2 . . . . 12 LEU HD12 . 5658 1 25 . 1 1 12 12 LEU HD13 H 1 0.83 . . 2 . . . . 12 LEU HD13 . 5658 1 26 . 1 1 12 12 LEU HD21 H 1 0.77 . . 2 . . . . 12 LEU HD21 . 5658 1 27 . 1 1 12 12 LEU HD22 H 1 0.77 . . 2 . . . . 12 LEU HD22 . 5658 1 28 . 1 1 12 12 LEU HD23 H 1 0.77 . . 2 . . . . 12 LEU HD23 . 5658 1 29 . 1 1 12 12 LEU C C 13 175.4 0.2 . 1 . . . . 12 LEU C . 5658 1 30 . 1 1 12 12 LEU CA C 13 53.16 0.2 . 1 . . . . 12 LEU CA . 5658 1 31 . 1 1 12 12 LEU CB C 13 44.50 0.2 . 1 . . . . 12 LEU CB . 5658 1 32 . 1 1 12 12 LEU CD1 C 13 26.08 . . 2 . . . . 12 LEU CD1 . 5658 1 33 . 1 1 12 12 LEU CD2 C 13 27.21 . . 2 . . . . 12 LEU CD2 . 5658 1 34 . 1 1 12 12 LEU N N 15 122.2 0.1 . 1 . . . . 12 LEU N . 5658 1 35 . 1 1 13 13 THR H H 1 8.23 0.02 . 1 . . . . 13 THR H . 5658 1 36 . 1 1 13 13 THR C C 13 171.9 0.2 . 1 . . . . 13 THR C . 5658 1 37 . 1 1 13 13 THR CA C 13 62.40 0.2 . 1 . . . . 13 THR CA . 5658 1 38 . 1 1 13 13 THR CB C 13 68.88 0.2 . 1 . . . . 13 THR CB . 5658 1 39 . 1 1 13 13 THR N N 15 120.0 0.1 . 1 . . . . 13 THR N . 5658 1 40 . 1 1 14 14 VAL H H 1 9.09 0.02 . 1 . . . . 14 VAL H . 5658 1 41 . 1 1 14 14 VAL HG11 H 1 0.36 . . 2 . . . . 14 VAL HG11 . 5658 1 42 . 1 1 14 14 VAL HG12 H 1 0.36 . . 2 . . . . 14 VAL HG12 . 5658 1 43 . 1 1 14 14 VAL HG13 H 1 0.36 . . 2 . . . . 14 VAL HG13 . 5658 1 44 . 1 1 14 14 VAL HG21 H 1 0.36 . . 2 . . . . 14 VAL HG21 . 5658 1 45 . 1 1 14 14 VAL HG22 H 1 0.36 . . 2 . . . . 14 VAL HG22 . 5658 1 46 . 1 1 14 14 VAL HG23 H 1 0.36 . . 2 . . . . 14 VAL HG23 . 5658 1 47 . 1 1 14 14 VAL C C 13 173.5 0.2 . 1 . . . . 14 VAL C . 5658 1 48 . 1 1 14 14 VAL CA C 13 59.94 0.2 . 1 . . . . 14 VAL CA . 5658 1 49 . 1 1 14 14 VAL CB C 13 30.07 0.2 . 1 . . . . 14 VAL CB . 5658 1 50 . 1 1 14 14 VAL CG1 C 13 20.86 . . 2 . . . . 14 VAL CG1 . 5658 1 51 . 1 1 14 14 VAL CG2 C 13 23.44 . . 2 . . . . 14 VAL CG2 . 5658 1 52 . 1 1 14 14 VAL N N 15 128.1 0.1 . 1 . . . . 14 VAL N . 5658 1 53 . 1 1 15 15 LYS H H 1 8.86 0.02 . 1 . . . . 15 LYS H . 5658 1 54 . 1 1 15 15 LYS C C 13 174.8 0.2 . 1 . . . . 15 LYS C . 5658 1 55 . 1 1 15 15 LYS CA C 13 53.86 0.2 . 1 . . . . 15 LYS CA . 5658 1 56 . 1 1 15 15 LYS CB C 13 34.43 0.2 . 1 . . . . 15 LYS CB . 5658 1 57 . 1 1 15 15 LYS N N 15 125.9 0.1 . 1 . . . . 15 LYS N . 5658 1 58 . 1 1 16 16 MET H H 1 8.22 0.02 . 1 . . . . 16 MET H . 5658 1 59 . 1 1 16 16 MET C C 13 177.4 0.2 . 1 . . . . 16 MET C . 5658 1 60 . 1 1 16 16 MET CA C 13 54.02 0.2 . 1 . . . . 16 MET CA . 5658 1 61 . 1 1 16 16 MET CB C 13 33.79 0.2 . 1 . . . . 16 MET CB . 5658 1 62 . 1 1 16 16 MET N N 15 121.2 0.1 . 1 . . . . 16 MET N . 5658 1 63 . 1 1 17 17 LEU H H 1 8.90 0.02 . 1 . . . . 17 LEU H . 5658 1 64 . 1 1 17 17 LEU HD11 H 1 0.95 . . 2 . . . . 17 LEU HD11 . 5658 1 65 . 1 1 17 17 LEU HD12 H 1 0.95 . . 2 . . . . 17 LEU HD12 . 5658 1 66 . 1 1 17 17 LEU HD13 H 1 0.95 . . 2 . . . . 17 LEU HD13 . 5658 1 67 . 1 1 17 17 LEU HD21 H 1 0.91 . . 2 . . . . 17 LEU HD21 . 5658 1 68 . 1 1 17 17 LEU HD22 H 1 0.91 . . 2 . . . . 17 LEU HD22 . 5658 1 69 . 1 1 17 17 LEU HD23 H 1 0.91 . . 2 . . . . 17 LEU HD23 . 5658 1 70 . 1 1 17 17 LEU C C 13 178.3 0.2 . 1 . . . . 17 LEU C . 5658 1 71 . 1 1 17 17 LEU CA C 13 57.06 0.2 . 1 . . . . 17 LEU CA . 5658 1 72 . 1 1 17 17 LEU CB C 13 40.51 0.2 . 1 . . . . 17 LEU CB . 5658 1 73 . 1 1 17 17 LEU CD1 C 13 25.2 . . 2 . . . . 17 LEU CD1 . 5658 1 74 . 1 1 17 17 LEU CD2 C 13 24.3 . . 2 . . . . 17 LEU CD2 . 5658 1 75 . 1 1 17 17 LEU N N 15 124.8 0.1 . 1 . . . . 17 LEU N . 5658 1 76 . 1 1 18 18 ALA H H 1 8.44 0.02 . 1 . . . . 18 ALA H . 5658 1 77 . 1 1 18 18 ALA C C 13 177.7 0.2 . 1 . . . . 18 ALA C . 5658 1 78 . 1 1 18 18 ALA CA C 13 52.39 0.2 . 1 . . . . 18 ALA CA . 5658 1 79 . 1 1 18 18 ALA CB C 13 17.61 0.2 . 1 . . . . 18 ALA CB . 5658 1 80 . 1 1 18 18 ALA N N 15 119.4 0.1 . 1 . . . . 18 ALA N . 5658 1 81 . 1 1 19 19 GLY H H 1 7.84 0.02 . 1 . . . . 19 GLY H . 5658 1 82 . 1 1 19 19 GLY C C 13 173.4 0.2 . 1 . . . . 19 GLY C . 5658 1 83 . 1 1 19 19 GLY CA C 13 44.50 0.2 . 1 . . . . 19 GLY CA . 5658 1 84 . 1 1 19 19 GLY N N 15 105.3 0.1 . 1 . . . . 19 GLY N . 5658 1 85 . 1 1 20 20 ASN H H 1 8.24 0.02 . 1 . . . . 20 ASN H . 5658 1 86 . 1 1 20 20 ASN HD21 H 1 7.74 . . 2 . . . . 20 ASN HD21 . 5658 1 87 . 1 1 20 20 ASN HD22 H 1 6.87 . . 2 . . . . 20 ASN HD22 . 5658 1 88 . 1 1 20 20 ASN C C 13 173.0 0.2 . 1 . . . . 20 ASN C . 5658 1 89 . 1 1 20 20 ASN CA C 13 52.89 0.2 . 1 . . . . 20 ASN CA . 5658 1 90 . 1 1 20 20 ASN CB C 13 38.27 0.2 . 1 . . . . 20 ASN CB . 5658 1 91 . 1 1 20 20 ASN N N 15 118.2 0.1 . 1 . . . . 20 ASN N . 5658 1 92 . 1 1 20 20 ASN ND2 N 15 113.7 . . 1 . . . . 20 ASN ND2 . 5658 1 93 . 1 1 21 21 GLU H H 1 8.42 0.02 . 1 . . . . 21 GLU H . 5658 1 94 . 1 1 21 21 GLU C C 13 175.5 0.2 . 1 . . . . 21 GLU C . 5658 1 95 . 1 1 21 21 GLU CA C 13 53.96 0.2 . 1 . . . . 21 GLU CA . 5658 1 96 . 1 1 21 21 GLU CB C 13 32.62 0.2 . 1 . . . . 21 GLU CB . 5658 1 97 . 1 1 21 21 GLU N N 15 117.4 0.1 . 1 . . . . 21 GLU N . 5658 1 98 . 1 1 22 22 PHE H H 1 8.56 0.02 . 1 . . . . 22 PHE H . 5658 1 99 . 1 1 22 22 PHE C C 13 172.0 0.2 . 1 . . . . 22 PHE C . 5658 1 100 . 1 1 22 22 PHE CA C 13 55.56 0.2 . 1 . . . . 22 PHE CA . 5658 1 101 . 1 1 22 22 PHE CB C 13 39.67 0.2 . 1 . . . . 22 PHE CB . 5658 1 102 . 1 1 22 22 PHE N N 15 117.0 0.1 . 1 . . . . 22 PHE N . 5658 1 103 . 1 1 23 23 GLN H H 1 8.60 0.02 . 1 . . . . 23 GLN H . 5658 1 104 . 1 1 23 23 GLN HE21 H 1 7.51 . . 2 . . . . 23 GLN HE21 . 5658 1 105 . 1 1 23 23 GLN HE22 H 1 6.92 . . 2 . . . . 23 GLN HE22 . 5658 1 106 . 1 1 23 23 GLN C C 13 176.2 0.2 . 1 . . . . 23 GLN C . 5658 1 107 . 1 1 23 23 GLN CA C 13 54.16 0.2 . 1 . . . . 23 GLN CA . 5658 1 108 . 1 1 23 23 GLN CB C 13 31.18 0.2 . 1 . . . . 23 GLN CB . 5658 1 109 . 1 1 23 23 GLN N N 15 117.6 0.1 . 1 . . . . 23 GLN N . 5658 1 110 . 1 1 23 23 GLN NE2 N 15 113.2 . . 1 . . . . 23 GLN NE2 . 5658 1 111 . 1 1 24 24 VAL H H 1 8.71 0.02 . 1 . . . . 24 VAL H . 5658 1 112 . 1 1 24 24 VAL HG11 H 1 0.90 . . 2 . . . . 24 VAL HG11 . 5658 1 113 . 1 1 24 24 VAL HG12 H 1 0.90 . . 2 . . . . 24 VAL HG12 . 5658 1 114 . 1 1 24 24 VAL HG13 H 1 0.90 . . 2 . . . . 24 VAL HG13 . 5658 1 115 . 1 1 24 24 VAL HG21 H 1 0.70 . . 2 . . . . 24 VAL HG21 . 5658 1 116 . 1 1 24 24 VAL HG22 H 1 0.70 . . 2 . . . . 24 VAL HG22 . 5658 1 117 . 1 1 24 24 VAL HG23 H 1 0.70 . . 2 . . . . 24 VAL HG23 . 5658 1 118 . 1 1 24 24 VAL C C 13 174.1 0.2 . 1 . . . . 24 VAL C . 5658 1 119 . 1 1 24 24 VAL CA C 13 58.95 0.2 . 1 . . . . 24 VAL CA . 5658 1 120 . 1 1 24 24 VAL CB C 13 34.23 0.2 . 1 . . . . 24 VAL CB . 5658 1 121 . 1 1 24 24 VAL CG1 C 13 22.80 . . 2 . . . . 24 VAL CG1 . 5658 1 122 . 1 1 24 24 VAL CG2 C 13 19.92 . . 2 . . . . 24 VAL CG2 . 5658 1 123 . 1 1 24 24 VAL N N 15 114.4 0.1 . 1 . . . . 24 VAL N . 5658 1 124 . 1 1 25 25 SER H H 1 8.59 0.02 . 1 . . . . 25 SER H . 5658 1 125 . 1 1 25 25 SER C C 13 173.3 0.2 . 1 . . . . 25 SER C . 5658 1 126 . 1 1 25 25 SER CA C 13 57.34 0.2 . 1 . . . . 25 SER CA . 5658 1 127 . 1 1 25 25 SER CB C 13 63.96 0.2 . 1 . . . . 25 SER CB . 5658 1 128 . 1 1 25 25 SER N N 15 117.7 0.1 . 1 . . . . 25 SER N . 5658 1 129 . 1 1 26 26 LEU H H 1 8.79 0.02 . 1 . . . . 26 LEU H . 5658 1 130 . 1 1 26 26 LEU C C 13 175.6 0.2 . 1 . . . . 26 LEU C . 5658 1 131 . 1 1 26 26 LEU CA C 13 52.79 0.2 . 1 . . . . 26 LEU CA . 5658 1 132 . 1 1 26 26 LEU CB C 13 43.33 0.2 . 1 . . . . 26 LEU CB . 5658 1 133 . 1 1 26 26 LEU N N 15 124.9 0.1 . 1 . . . . 26 LEU N . 5658 1 134 . 1 1 27 27 SER C C 13 175.1 0.2 . 1 . . . . 27 SER C . 5658 1 135 . 1 1 27 27 SER CA C 13 56.76 0.2 . 1 . . . . 27 SER CA . 5658 1 136 . 1 1 27 27 SER CB C 13 65.34 0.2 . 1 . . . . 27 SER CB . 5658 1 137 . 1 1 28 28 SER H H 1 8.97 0.02 . 1 . . . . 28 SER H . 5658 1 138 . 1 1 28 28 SER C C 13 174.4 0.2 . 1 . . . . 28 SER C . 5658 1 139 . 1 1 28 28 SER CA C 13 60.35 0.2 . 1 . . . . 28 SER CA . 5658 1 140 . 1 1 28 28 SER CB C 13 62.80 0.2 . 1 . . . . 28 SER CB . 5658 1 141 . 1 1 28 28 SER N N 15 116.8 0.1 . 1 . . . . 28 SER N . 5658 1 142 . 1 1 29 29 SER H H 1 8.05 0.02 . 1 . . . . 29 SER H . 5658 1 143 . 1 1 29 29 SER C C 13 174.6 0.2 . 1 . . . . 29 SER C . 5658 1 144 . 1 1 29 29 SER CA C 13 57.69 0.2 . 1 . . . . 29 SER CA . 5658 1 145 . 1 1 29 29 SER CB C 13 63.39 0.2 . 1 . . . . 29 SER CB . 5658 1 146 . 1 1 29 29 SER N N 15 114.5 0.1 . 1 . . . . 29 SER N . 5658 1 147 . 1 1 30 30 MET H H 1 8.49 0.02 . 1 . . . . 30 MET H . 5658 1 148 . 1 1 30 30 MET CA C 13 55.3 0.2 . 1 . . . . 30 MET CA . 5658 1 149 . 1 1 30 30 MET CB C 13 29.3 0.2 . 1 . . . . 30 MET CB . 5658 1 150 . 1 1 30 30 MET N N 15 120.3 0.1 . 1 . . . . 30 MET N . 5658 1 151 . 1 1 31 31 SER C C 13 174.9 0.2 . 1 . . . . 31 SER C . 5658 1 152 . 1 1 31 31 SER CA C 13 55.67 0.2 . 1 . . . . 31 SER CA . 5658 1 153 . 1 1 31 31 SER CB C 13 66.50 0.2 . 1 . . . . 31 SER CB . 5658 1 154 . 1 1 32 32 VAL H H 1 9.46 0.02 . 1 . . . . 32 VAL H . 5658 1 155 . 1 1 32 32 VAL HG11 H 1 1.05 . . 2 . . . . 32 VAL HG11 . 5658 1 156 . 1 1 32 32 VAL HG12 H 1 1.05 . . 2 . . . . 32 VAL HG12 . 5658 1 157 . 1 1 32 32 VAL HG13 H 1 1.05 . . 2 . . . . 32 VAL HG13 . 5658 1 158 . 1 1 32 32 VAL HG21 H 1 0.98 . . 2 . . . . 32 VAL HG21 . 5658 1 159 . 1 1 32 32 VAL HG22 H 1 0.98 . . 2 . . . . 32 VAL HG22 . 5658 1 160 . 1 1 32 32 VAL HG23 H 1 0.98 . . 2 . . . . 32 VAL HG23 . 5658 1 161 . 1 1 32 32 VAL C C 13 177.5 0.2 . 1 . . . . 32 VAL C . 5658 1 162 . 1 1 32 32 VAL CA C 13 66.40 0.2 . 1 . . . . 32 VAL CA . 5658 1 163 . 1 1 32 32 VAL CB C 13 30.55 0.2 . 1 . . . . 32 VAL CB . 5658 1 164 . 1 1 32 32 VAL CG1 C 13 25.08 . . 2 . . . . 32 VAL CG1 . 5658 1 165 . 1 1 32 32 VAL CG2 C 13 22.47 . . 2 . . . . 32 VAL CG2 . 5658 1 166 . 1 1 32 32 VAL N N 15 121.5 0.1 . 1 . . . . 32 VAL N . 5658 1 167 . 1 1 33 33 SER H H 1 8.57 0.02 . 1 . . . . 33 SER H . 5658 1 168 . 1 1 33 33 SER C C 13 177.5 0.2 . 1 . . . . 33 SER C . 5658 1 169 . 1 1 33 33 SER CA C 13 61.79 0.2 . 1 . . . . 33 SER CA . 5658 1 170 . 1 1 33 33 SER CB C 13 61.75 0.2 . 1 . . . . 33 SER CB . 5658 1 171 . 1 1 33 33 SER N N 15 115.1 0.1 . 1 . . . . 33 SER N . 5658 1 172 . 1 1 34 34 GLU H H 1 7.85 0.02 . 1 . . . . 34 GLU H . 5658 1 173 . 1 1 34 34 GLU C C 13 178.9 0.2 . 1 . . . . 34 GLU C . 5658 1 174 . 1 1 34 34 GLU CA C 13 58.82 0.2 . 1 . . . . 34 GLU CA . 5658 1 175 . 1 1 34 34 GLU CB C 13 28.76 0.2 . 1 . . . . 34 GLU CB . 5658 1 176 . 1 1 34 34 GLU N N 15 123.0 0.1 . 1 . . . . 34 GLU N . 5658 1 177 . 1 1 35 35 LEU H H 1 7.86 0.02 . 1 . . . . 35 LEU H . 5658 1 178 . 1 1 35 35 LEU HD11 H 1 0.79 . . 2 . . . . 35 LEU HD11 . 5658 1 179 . 1 1 35 35 LEU HD12 H 1 0.79 . . 2 . . . . 35 LEU HD12 . 5658 1 180 . 1 1 35 35 LEU HD13 H 1 0.79 . . 2 . . . . 35 LEU HD13 . 5658 1 181 . 1 1 35 35 LEU HD21 H 1 0.87 . . 2 . . . . 35 LEU HD21 . 5658 1 182 . 1 1 35 35 LEU HD22 H 1 0.87 . . 2 . . . . 35 LEU HD22 . 5658 1 183 . 1 1 35 35 LEU HD23 H 1 0.87 . . 2 . . . . 35 LEU HD23 . 5658 1 184 . 1 1 35 35 LEU C C 13 177.9 0.2 . 1 . . . . 35 LEU C . 5658 1 185 . 1 1 35 35 LEU CA C 13 58.08 0.2 . 1 . . . . 35 LEU CA . 5658 1 186 . 1 1 35 35 LEU CB C 13 40.28 0.2 . 1 . . . . 35 LEU CB . 5658 1 187 . 1 1 35 35 LEU CD1 C 13 27.49 . . 2 . . . . 35 LEU CD1 . 5658 1 188 . 1 1 35 35 LEU CD2 C 13 24.49 . . 2 . . . . 35 LEU CD2 . 5658 1 189 . 1 1 35 35 LEU N N 15 122.6 0.1 . 1 . . . . 35 LEU N . 5658 1 190 . 1 1 36 36 LYS H H 1 8.80 0.02 . 1 . . . . 36 LYS H . 5658 1 191 . 1 1 36 36 LYS C C 13 179.6 0.2 . 1 . . . . 36 LYS C . 5658 1 192 . 1 1 36 36 LYS CA C 13 58.93 0.2 . 1 . . . . 36 LYS CA . 5658 1 193 . 1 1 36 36 LYS CB C 13 32.48 0.2 . 1 . . . . 36 LYS CB . 5658 1 194 . 1 1 36 36 LYS N N 15 117.3 0.1 . 1 . . . . 36 LYS N . 5658 1 195 . 1 1 37 37 ALA H H 1 7.93 0.02 . 1 . . . . 37 ALA H . 5658 1 196 . 1 1 37 37 ALA C C 13 181.1 0.2 . 1 . . . . 37 ALA C . 5658 1 197 . 1 1 37 37 ALA CA C 13 54.62 0.2 . 1 . . . . 37 ALA CA . 5658 1 198 . 1 1 37 37 ALA CB C 13 17.03 0.2 . 1 . . . . 37 ALA CB . 5658 1 199 . 1 1 37 37 ALA N N 15 120.7 0.1 . 1 . . . . 37 ALA N . 5658 1 200 . 1 1 38 38 GLN H H 1 7.97 0.02 . 1 . . . . 38 GLN H . 5658 1 201 . 1 1 38 38 GLN C C 13 179.1 0.2 . 1 . . . . 38 GLN C . 5658 1 202 . 1 1 38 38 GLN CA C 13 57.91 0.2 . 1 . . . . 38 GLN CA . 5658 1 203 . 1 1 38 38 GLN CB C 13 28.19 0.2 . 1 . . . . 38 GLN CB . 5658 1 204 . 1 1 38 38 GLN N N 15 118.0 0.1 . 1 . . . . 38 GLN N . 5658 1 205 . 1 1 39 39 ILE H H 1 8.19 0.02 . 1 . . . . 39 ILE H . 5658 1 206 . 1 1 39 39 ILE HD11 H 1 0.88 . . 1 . . . . 39 ILE HD11 . 5658 1 207 . 1 1 39 39 ILE HD12 H 1 0.88 . . 1 . . . . 39 ILE HD12 . 5658 1 208 . 1 1 39 39 ILE HD13 H 1 0.88 . . 1 . . . . 39 ILE HD13 . 5658 1 209 . 1 1 39 39 ILE C C 13 178.1 0.2 . 1 . . . . 39 ILE C . 5658 1 210 . 1 1 39 39 ILE CA C 13 66.29 0.2 . 1 . . . . 39 ILE CA . 5658 1 211 . 1 1 39 39 ILE CB C 13 35.92 0.2 . 1 . . . . 39 ILE CB . 5658 1 212 . 1 1 39 39 ILE CD1 C 13 15.12 . . 1 . . . . 39 ILE CD1 . 5658 1 213 . 1 1 39 39 ILE N N 15 121.8 0.1 . 1 . . . . 39 ILE N . 5658 1 214 . 1 1 40 40 THR H H 1 9.03 0.02 . 1 . . . . 40 THR H . 5658 1 215 . 1 1 40 40 THR C C 13 177.3 0.2 . 1 . . . . 40 THR C . 5658 1 216 . 1 1 40 40 THR CA C 13 66.73 0.2 . 1 . . . . 40 THR CA . 5658 1 217 . 1 1 40 40 THR CB C 13 67.98 0.2 . 1 . . . . 40 THR CB . 5658 1 218 . 1 1 40 40 THR N N 15 119.6 0.1 . 1 . . . . 40 THR N . 5658 1 219 . 1 1 41 41 GLN H H 1 7.78 0.02 . 1 . . . . 41 GLN H . 5658 1 220 . 1 1 41 41 GLN HE21 H 1 7.42 . . 2 . . . . 41 GLN HE21 . 5658 1 221 . 1 1 41 41 GLN HE22 H 1 6.84 . . 2 . . . . 41 GLN HE22 . 5658 1 222 . 1 1 41 41 GLN C C 13 176.8 0.2 . 1 . . . . 41 GLN C . 5658 1 223 . 1 1 41 41 GLN CA C 13 58.17 0.2 . 1 . . . . 41 GLN CA . 5658 1 224 . 1 1 41 41 GLN CB C 13 27.65 0.2 . 1 . . . . 41 GLN CB . 5658 1 225 . 1 1 41 41 GLN N N 15 119.5 0.1 . 1 . . . . 41 GLN N . 5658 1 226 . 1 1 41 41 GLN NE2 N 15 111.9 . . 1 . . . . 41 GLN NE2 . 5658 1 227 . 1 1 42 42 LYS H H 1 7.55 0.02 . 1 . . . . 42 LYS H . 5658 1 228 . 1 1 42 42 LYS C C 13 178.2 0.2 . 1 . . . . 42 LYS C . 5658 1 229 . 1 1 42 42 LYS CA C 13 57.41 0.2 . 1 . . . . 42 LYS CA . 5658 1 230 . 1 1 42 42 LYS CB C 13 32.16 0.2 . 1 . . . . 42 LYS CB . 5658 1 231 . 1 1 42 42 LYS N N 15 116.9 0.1 . 1 . . . . 42 LYS N . 5658 1 232 . 1 1 43 43 ILE H H 1 8.13 0.02 . 1 . . . . 43 ILE H . 5658 1 233 . 1 1 43 43 ILE HD11 H 1 0.65 . . 1 . . . . 43 ILE HD11 . 5658 1 234 . 1 1 43 43 ILE HD12 H 1 0.65 . . 1 . . . . 43 ILE HD12 . 5658 1 235 . 1 1 43 43 ILE HD13 H 1 0.65 . . 1 . . . . 43 ILE HD13 . 5658 1 236 . 1 1 43 43 ILE C C 13 177.6 0.2 . 1 . . . . 43 ILE C . 5658 1 237 . 1 1 43 43 ILE CA C 13 60.25 0.2 . 1 . . . . 43 ILE CA . 5658 1 238 . 1 1 43 43 ILE CB C 13 39.18 0.2 . 1 . . . . 43 ILE CB . 5658 1 239 . 1 1 43 43 ILE CD1 C 13 14.59 . . 1 . . . . 43 ILE CD1 . 5658 1 240 . 1 1 43 43 ILE N N 15 107.4 0.1 . 1 . . . . 43 ILE N . 5658 1 241 . 1 1 44 44 GLY H H 1 8.18 0.02 . 1 . . . . 44 GLY H . 5658 1 242 . 1 1 44 44 GLY C C 13 173.7 0.2 . 1 . . . . 44 GLY C . 5658 1 243 . 1 1 44 44 GLY CA C 13 46.19 0.2 . 1 . . . . 44 GLY CA . 5658 1 244 . 1 1 44 44 GLY N N 15 111.2 0.1 . 1 . . . . 44 GLY N . 5658 1 245 . 1 1 45 45 VAL H H 1 6.03 0.02 . 1 . . . . 45 VAL H . 5658 1 246 . 1 1 45 45 VAL HG11 H 1 0.71 . . 2 . . . . 45 VAL HG11 . 5658 1 247 . 1 1 45 45 VAL HG12 H 1 0.71 . . 2 . . . . 45 VAL HG12 . 5658 1 248 . 1 1 45 45 VAL HG13 H 1 0.71 . . 2 . . . . 45 VAL HG13 . 5658 1 249 . 1 1 45 45 VAL HG21 H 1 0.83 . . 2 . . . . 45 VAL HG21 . 5658 1 250 . 1 1 45 45 VAL HG22 H 1 0.83 . . 2 . . . . 45 VAL HG22 . 5658 1 251 . 1 1 45 45 VAL HG23 H 1 0.83 . . 2 . . . . 45 VAL HG23 . 5658 1 252 . 1 1 45 45 VAL C C 13 175.5 0.2 . 1 . . . . 45 VAL C . 5658 1 253 . 1 1 45 45 VAL CA C 13 59.78 0.2 . 1 . . . . 45 VAL CA . 5658 1 254 . 1 1 45 45 VAL CB C 13 32.13 0.2 . 1 . . . . 45 VAL CB . 5658 1 255 . 1 1 45 45 VAL CG1 C 13 20.57 . . 2 . . . . 45 VAL CG1 . 5658 1 256 . 1 1 45 45 VAL CG2 C 13 22.47 . . 2 . . . . 45 VAL CG2 . 5658 1 257 . 1 1 45 45 VAL N N 15 114.8 0.1 . 1 . . . . 45 VAL N . 5658 1 258 . 1 1 46 46 HIS H H 1 8.21 0.02 . 1 . . . . 46 HIS H . 5658 1 259 . 1 1 46 46 HIS C C 13 176.4 0.2 . 1 . . . . 46 HIS C . 5658 1 260 . 1 1 46 46 HIS CA C 13 56.70 0.2 . 1 . . . . 46 HIS CA . 5658 1 261 . 1 1 46 46 HIS CB C 13 31.62 0.2 . 1 . . . . 46 HIS CB . 5658 1 262 . 1 1 46 46 HIS N N 15 126.8 0.1 . 1 . . . . 46 HIS N . 5658 1 263 . 1 1 47 47 ALA H H 1 9.29 0.02 . 1 . . . . 47 ALA H . 5658 1 264 . 1 1 47 47 ALA C C 13 181.5 0.2 . 1 . . . . 47 ALA C . 5658 1 265 . 1 1 47 47 ALA CA C 13 55.93 0.2 . 1 . . . . 47 ALA CA . 5658 1 266 . 1 1 47 47 ALA CB C 13 17.09 0.2 . 1 . . . . 47 ALA CB . 5658 1 267 . 1 1 47 47 ALA N N 15 126.1 0.1 . 1 . . . . 47 ALA N . 5658 1 268 . 1 1 48 48 PHE H H 1 9.00 0.02 . 1 . . . . 48 PHE H . 5658 1 269 . 1 1 48 48 PHE C C 13 175.5 0.2 . 1 . . . . 48 PHE C . 5658 1 270 . 1 1 48 48 PHE CA C 13 58.87 0.2 . 1 . . . . 48 PHE CA . 5658 1 271 . 1 1 48 48 PHE CB C 13 36.11 0.2 . 1 . . . . 48 PHE CB . 5658 1 272 . 1 1 48 48 PHE N N 15 114.0 0.1 . 1 . . . . 48 PHE N . 5658 1 273 . 1 1 49 49 GLN H H 1 6.87 0.02 . 1 . . . . 49 GLN H . 5658 1 274 . 1 1 49 49 GLN C C 13 174.8 0.2 . 1 . . . . 49 GLN C . 5658 1 275 . 1 1 49 49 GLN CA C 13 55.33 0.2 . 1 . . . . 49 GLN CA . 5658 1 276 . 1 1 49 49 GLN CB C 13 30.54 0.2 . 1 . . . . 49 GLN CB . 5658 1 277 . 1 1 49 49 GLN N N 15 117.5 0.1 . 1 . . . . 49 GLN N . 5658 1 278 . 1 1 50 50 GLN H H 1 7.32 0.02 . 1 . . . . 50 GLN H . 5658 1 279 . 1 1 50 50 GLN C C 13 175.6 0.2 . 1 . . . . 50 GLN C . 5658 1 280 . 1 1 50 50 GLN CA C 13 55.78 0.2 . 1 . . . . 50 GLN CA . 5658 1 281 . 1 1 50 50 GLN CB C 13 29.46 0.2 . 1 . . . . 50 GLN CB . 5658 1 282 . 1 1 50 50 GLN N N 15 116.8 0.1 . 1 . . . . 50 GLN N . 5658 1 283 . 1 1 51 51 ARG H H 1 8.85 0.02 . 1 . . . . 51 ARG H . 5658 1 284 . 1 1 51 51 ARG C C 13 175.6 0.2 . 1 . . . . 51 ARG C . 5658 1 285 . 1 1 51 51 ARG CA C 13 54.45 0.2 . 1 . . . . 51 ARG CA . 5658 1 286 . 1 1 51 51 ARG CB C 13 29.34 0.2 . 1 . . . . 51 ARG CB . 5658 1 287 . 1 1 51 51 ARG N N 15 124.4 0.1 . 1 . . . . 51 ARG N . 5658 1 288 . 1 1 52 52 LEU H H 1 8.78 0.02 . 1 . . . . 52 LEU H . 5658 1 289 . 1 1 52 52 LEU HD11 H 1 1.01 . . 2 . . . . 52 LEU HD11 . 5658 1 290 . 1 1 52 52 LEU HD12 H 1 1.01 . . 2 . . . . 52 LEU HD12 . 5658 1 291 . 1 1 52 52 LEU HD13 H 1 1.01 . . 2 . . . . 52 LEU HD13 . 5658 1 292 . 1 1 52 52 LEU HD21 H 1 0.83 . . 2 . . . . 52 LEU HD21 . 5658 1 293 . 1 1 52 52 LEU HD22 H 1 0.83 . . 2 . . . . 52 LEU HD22 . 5658 1 294 . 1 1 52 52 LEU HD23 H 1 0.83 . . 2 . . . . 52 LEU HD23 . 5658 1 295 . 1 1 52 52 LEU C C 13 176.3 0.2 . 1 . . . . 52 LEU C . 5658 1 296 . 1 1 52 52 LEU CA C 13 53.17 0.2 . 1 . . . . 52 LEU CA . 5658 1 297 . 1 1 52 52 LEU CB C 13 45.42 0.2 . 1 . . . . 52 LEU CB . 5658 1 298 . 1 1 52 52 LEU CD1 C 13 25.16 . . 2 . . . . 52 LEU CD1 . 5658 1 299 . 1 1 52 52 LEU CD2 C 13 26.92 . . 2 . . . . 52 LEU CD2 . 5658 1 300 . 1 1 52 52 LEU N N 15 125.5 0.1 . 1 . . . . 52 LEU N . 5658 1 301 . 1 1 53 53 ALA H H 1 8.66 0.02 . 1 . . . . 53 ALA H . 5658 1 302 . 1 1 53 53 ALA C C 13 175.6 0.2 . 1 . . . . 53 ALA C . 5658 1 303 . 1 1 53 53 ALA CA C 13 50.04 0.2 . 1 . . . . 53 ALA CA . 5658 1 304 . 1 1 53 53 ALA CB C 13 21.90 0.2 . 1 . . . . 53 ALA CB . 5658 1 305 . 1 1 53 53 ALA N N 15 124.0 0.1 . 1 . . . . 53 ALA N . 5658 1 306 . 1 1 54 54 VAL H H 1 8.97 0.02 . 1 . . . . 54 VAL H . 5658 1 307 . 1 1 54 54 VAL HG11 H 1 1.05 . . 2 . . . . 54 VAL HG11 . 5658 1 308 . 1 1 54 54 VAL HG12 H 1 1.05 . . 2 . . . . 54 VAL HG12 . 5658 1 309 . 1 1 54 54 VAL HG13 H 1 1.05 . . 2 . . . . 54 VAL HG13 . 5658 1 310 . 1 1 54 54 VAL HG21 H 1 1.05 . . 2 . . . . 54 VAL HG21 . 5658 1 311 . 1 1 54 54 VAL HG22 H 1 1.05 . . 2 . . . . 54 VAL HG22 . 5658 1 312 . 1 1 54 54 VAL HG23 H 1 1.05 . . 2 . . . . 54 VAL HG23 . 5658 1 313 . 1 1 54 54 VAL C C 13 174.9 0.2 . 1 . . . . 54 VAL C . 5658 1 314 . 1 1 54 54 VAL CA C 13 64.07 0.2 . 1 . . . . 54 VAL CA . 5658 1 315 . 1 1 54 54 VAL CB C 13 31.71 0.2 . 1 . . . . 54 VAL CB . 5658 1 316 . 1 1 54 54 VAL CG1 C 13 22.34 . . 2 . . . . 54 VAL CG1 . 5658 1 317 . 1 1 54 54 VAL CG2 C 13 22.98 . . 2 . . . . 54 VAL CG2 . 5658 1 318 . 1 1 54 54 VAL N N 15 121.6 0.1 . 1 . . . . 54 VAL N . 5658 1 319 . 1 1 55 55 HIS H H 1 8.20 0.02 . 1 . . . . 55 HIS H . 5658 1 320 . 1 1 55 55 HIS C C 13 175.0 0.2 . 1 . . . . 55 HIS C . 5658 1 321 . 1 1 55 55 HIS CA C 13 52.73 0.2 . 1 . . . . 55 HIS CA . 5658 1 322 . 1 1 55 55 HIS CB C 13 33.41 0.2 . 1 . . . . 55 HIS CB . 5658 1 323 . 1 1 55 55 HIS N N 15 127.5 0.1 . 1 . . . . 55 HIS N . 5658 1 324 . 1 1 56 56 PRO C C 13 177.3 0.2 . 1 . . . . 56 PRO C . 5658 1 325 . 1 1 56 56 PRO CA C 13 63.01 0.2 . 1 . . . . 56 PRO CA . 5658 1 326 . 1 1 56 56 PRO CB C 13 32.91 0.2 . 1 . . . . 56 PRO CB . 5658 1 327 . 1 1 57 57 SER H H 1 7.78 0.02 . 1 . . . . 57 SER H . 5658 1 328 . 1 1 57 57 SER C C 13 175.8 0.2 . 1 . . . . 57 SER C . 5658 1 329 . 1 1 57 57 SER CA C 13 60.22 0.2 . 1 . . . . 57 SER CA . 5658 1 330 . 1 1 57 57 SER CB C 13 62.43 0.2 . 1 . . . . 57 SER CB . 5658 1 331 . 1 1 57 57 SER N N 15 119.5 0.1 . 1 . . . . 57 SER N . 5658 1 332 . 1 1 58 58 GLY H H 1 8.80 0.02 . 1 . . . . 58 GLY H . 5658 1 333 . 1 1 58 58 GLY C C 13 174.1 0.2 . 1 . . . . 58 GLY C . 5658 1 334 . 1 1 58 58 GLY CA C 13 45.11 0.2 . 1 . . . . 58 GLY CA . 5658 1 335 . 1 1 58 58 GLY N N 15 109.9 0.1 . 1 . . . . 58 GLY N . 5658 1 336 . 1 1 59 59 VAL H H 1 7.31 0.02 . 1 . . . . 59 VAL H . 5658 1 337 . 1 1 59 59 VAL HG11 H 1 1.00 . . 2 . . . . 59 VAL HG11 . 5658 1 338 . 1 1 59 59 VAL HG12 H 1 1.00 . . 2 . . . . 59 VAL HG12 . 5658 1 339 . 1 1 59 59 VAL HG13 H 1 1.00 . . 2 . . . . 59 VAL HG13 . 5658 1 340 . 1 1 59 59 VAL HG21 H 1 0.93 . . 2 . . . . 59 VAL HG21 . 5658 1 341 . 1 1 59 59 VAL HG22 H 1 0.93 . . 2 . . . . 59 VAL HG22 . 5658 1 342 . 1 1 59 59 VAL HG23 H 1 0.93 . . 2 . . . . 59 VAL HG23 . 5658 1 343 . 1 1 59 59 VAL C C 13 175.3 0.2 . 1 . . . . 59 VAL C . 5658 1 344 . 1 1 59 59 VAL CA C 13 62.45 0.2 . 1 . . . . 59 VAL CA . 5658 1 345 . 1 1 59 59 VAL CB C 13 31.59 0.2 . 1 . . . . 59 VAL CB . 5658 1 346 . 1 1 59 59 VAL CG1 C 13 21.33 . . 2 . . . . 59 VAL CG1 . 5658 1 347 . 1 1 59 59 VAL CG2 C 13 21.84 . . 2 . . . . 59 VAL CG2 . 5658 1 348 . 1 1 59 59 VAL N N 15 120.9 0.1 . 1 . . . . 59 VAL N . 5658 1 349 . 1 1 60 60 ALA H H 1 8.57 0.02 . 1 . . . . 60 ALA H . 5658 1 350 . 1 1 60 60 ALA C C 13 178.8 0.2 . 1 . . . . 60 ALA C . 5658 1 351 . 1 1 60 60 ALA CA C 13 52.11 0.2 . 1 . . . . 60 ALA CA . 5658 1 352 . 1 1 60 60 ALA CB C 13 18.28 0.2 . 1 . . . . 60 ALA CB . 5658 1 353 . 1 1 60 60 ALA N N 15 128.8 0.1 . 1 . . . . 60 ALA N . 5658 1 354 . 1 1 61 61 LEU H H 1 8.11 0.02 . 1 . . . . 61 LEU H . 5658 1 355 . 1 1 61 61 LEU HD11 H 1 0.74 . . 2 . . . . 61 LEU HD11 . 5658 1 356 . 1 1 61 61 LEU HD12 H 1 0.74 . . 2 . . . . 61 LEU HD12 . 5658 1 357 . 1 1 61 61 LEU HD13 H 1 0.74 . . 2 . . . . 61 LEU HD13 . 5658 1 358 . 1 1 61 61 LEU HD21 H 1 0.74 . . 2 . . . . 61 LEU HD21 . 5658 1 359 . 1 1 61 61 LEU HD22 H 1 0.74 . . 2 . . . . 61 LEU HD22 . 5658 1 360 . 1 1 61 61 LEU HD23 H 1 0.74 . . 2 . . . . 61 LEU HD23 . 5658 1 361 . 1 1 61 61 LEU C C 13 177.1 0.2 . 1 . . . . 61 LEU C . 5658 1 362 . 1 1 61 61 LEU CA C 13 54.36 0.2 . 1 . . . . 61 LEU CA . 5658 1 363 . 1 1 61 61 LEU CB C 13 40.83 0.2 . 1 . . . . 61 LEU CB . 5658 1 364 . 1 1 61 61 LEU CD1 C 13 24.6 . . 2 . . . . 61 LEU CD1 . 5658 1 365 . 1 1 61 61 LEU CD2 C 13 26.6 . . 2 . . . . 61 LEU CD2 . 5658 1 366 . 1 1 61 61 LEU N N 15 120.6 0.1 . 1 . . . . 61 LEU N . 5658 1 367 . 1 1 62 62 GLN H H 1 9.47 0.02 . 1 . . . . 62 GLN H . 5658 1 368 . 1 1 62 62 GLN HE21 H 1 7.44 . . 2 . . . . 62 GLN HE21 . 5658 1 369 . 1 1 62 62 GLN HE22 H 1 6.61 . . 2 . . . . 62 GLN HE22 . 5658 1 370 . 1 1 62 62 GLN C C 13 176.4 0.2 . 1 . . . . 62 GLN C . 5658 1 371 . 1 1 62 62 GLN CA C 13 54.22 0.2 . 1 . . . . 62 GLN CA . 5658 1 372 . 1 1 62 62 GLN CB C 13 29.34 0.2 . 1 . . . . 62 GLN CB . 5658 1 373 . 1 1 62 62 GLN N N 15 123.2 0.1 . 1 . . . . 62 GLN N . 5658 1 374 . 1 1 62 62 GLN NE2 N 15 115.3 . . 1 . . . . 62 GLN NE2 . 5658 1 375 . 1 1 63 63 ASP H H 1 8.74 0.02 . 1 . . . . 63 ASP H . 5658 1 376 . 1 1 63 63 ASP C C 13 177.2 0.2 . 1 . . . . 63 ASP C . 5658 1 377 . 1 1 63 63 ASP CA C 13 56.14 0.2 . 1 . . . . 63 ASP CA . 5658 1 378 . 1 1 63 63 ASP CB C 13 40.80 0.2 . 1 . . . . 63 ASP CB . 5658 1 379 . 1 1 63 63 ASP N N 15 122.7 0.1 . 1 . . . . 63 ASP N . 5658 1 380 . 1 1 64 64 ARG H H 1 8.60 0.02 . 1 . . . . 64 ARG H . 5658 1 381 . 1 1 64 64 ARG C C 13 175.4 0.2 . 1 . . . . 64 ARG C . 5658 1 382 . 1 1 64 64 ARG CA C 13 56.99 0.2 . 1 . . . . 64 ARG CA . 5658 1 383 . 1 1 64 64 ARG CB C 13 28.33 0.2 . 1 . . . . 64 ARG CB . 5658 1 384 . 1 1 64 64 ARG N N 15 114.9 0.1 . 1 . . . . 64 ARG N . 5658 1 385 . 1 1 65 65 VAL H H 1 7.20 0.02 . 1 . . . . 65 VAL H . 5658 1 386 . 1 1 65 65 VAL C C 13 174.8 0.2 . 1 . . . . 65 VAL C . 5658 1 387 . 1 1 65 65 VAL CA C 13 58.90 0.2 . 1 . . . . 65 VAL CA . 5658 1 388 . 1 1 65 65 VAL CB C 13 33.60 0.2 . 1 . . . . 65 VAL CB . 5658 1 389 . 1 1 65 65 VAL N N 15 119.8 0.1 . 1 . . . . 65 VAL N . 5658 1 390 . 1 1 66 66 PRO C C 13 178.4 0.2 . 1 . . . . 66 PRO C . 5658 1 391 . 1 1 66 66 PRO CA C 13 63.19 0.2 . 1 . . . . 66 PRO CA . 5658 1 392 . 1 1 66 66 PRO CB C 13 31.45 0.2 . 1 . . . . 66 PRO CB . 5658 1 393 . 1 1 67 67 LEU H H 1 8.43 0.02 . 1 . . . . 67 LEU H . 5658 1 394 . 1 1 67 67 LEU HD11 H 1 0.78 . . 2 . . . . 67 LEU HD11 . 5658 1 395 . 1 1 67 67 LEU HD12 H 1 0.78 . . 2 . . . . 67 LEU HD12 . 5658 1 396 . 1 1 67 67 LEU HD13 H 1 0.78 . . 2 . . . . 67 LEU HD13 . 5658 1 397 . 1 1 67 67 LEU HD21 H 1 0.78 . . 2 . . . . 67 LEU HD21 . 5658 1 398 . 1 1 67 67 LEU HD22 H 1 0.78 . . 2 . . . . 67 LEU HD22 . 5658 1 399 . 1 1 67 67 LEU HD23 H 1 0.78 . . 2 . . . . 67 LEU HD23 . 5658 1 400 . 1 1 67 67 LEU C C 13 179.7 0.2 . 1 . . . . 67 LEU C . 5658 1 401 . 1 1 67 67 LEU CA C 13 58.33 0.2 . 1 . . . . 67 LEU CA . 5658 1 402 . 1 1 67 67 LEU CB C 13 39.44 0.2 . 1 . . . . 67 LEU CB . 5658 1 403 . 1 1 67 67 LEU CD1 C 13 27.52 . . 2 . . . . 67 LEU CD1 . 5658 1 404 . 1 1 67 67 LEU CD2 C 13 23.96 . . 2 . . . . 67 LEU CD2 . 5658 1 405 . 1 1 67 67 LEU N N 15 122.7 0.1 . 1 . . . . 67 LEU N . 5658 1 406 . 1 1 68 68 ALA H H 1 9.49 0.02 . 1 . . . . 68 ALA H . 5658 1 407 . 1 1 68 68 ALA C C 13 180.2 0.2 . 1 . . . . 68 ALA C . 5658 1 408 . 1 1 68 68 ALA CA C 13 53.84 0.2 . 1 . . . . 68 ALA CA . 5658 1 409 . 1 1 68 68 ALA CB C 13 17.54 0.2 . 1 . . . . 68 ALA CB . 5658 1 410 . 1 1 68 68 ALA N N 15 119.5 0.1 . 1 . . . . 68 ALA N . 5658 1 411 . 1 1 69 69 SER H H 1 7.32 0.02 . 1 . . . . 69 SER H . 5658 1 412 . 1 1 69 69 SER C C 13 173.7 0.2 . 1 . . . . 69 SER C . 5658 1 413 . 1 1 69 69 SER CA C 13 59.06 0.2 . 1 . . . . 69 SER CA . 5658 1 414 . 1 1 69 69 SER CB C 13 62.88 0.2 . 1 . . . . 69 SER CB . 5658 1 415 . 1 1 69 69 SER N N 15 111.7 0.1 . 1 . . . . 69 SER N . 5658 1 416 . 1 1 70 70 GLN H H 1 7.63 0.02 . 1 . . . . 70 GLN H . 5658 1 417 . 1 1 70 70 GLN HE21 H 1 6.89 . . 2 . . . . 70 GLN HE21 . 5658 1 418 . 1 1 70 70 GLN HE22 H 1 8.25 . . 2 . . . . 70 GLN HE22 . 5658 1 419 . 1 1 70 70 GLN C C 13 174.9 0.2 . 1 . . . . 70 GLN C . 5658 1 420 . 1 1 70 70 GLN CA C 13 54.17 0.2 . 1 . . . . 70 GLN CA . 5658 1 421 . 1 1 70 70 GLN CB C 13 28.50 0.2 . 1 . . . . 70 GLN CB . 5658 1 422 . 1 1 70 70 GLN N N 15 117.5 0.1 . 1 . . . . 70 GLN N . 5658 1 423 . 1 1 70 70 GLN NE2 N 15 114.4 . . 1 . . . . 70 GLN NE2 . 5658 1 424 . 1 1 71 71 GLY H H 1 7.74 0.02 . 1 . . . . 71 GLY H . 5658 1 425 . 1 1 71 71 GLY C C 13 174.1 0.2 . 1 . . . . 71 GLY C . 5658 1 426 . 1 1 71 71 GLY CA C 13 45.03 0.2 . 1 . . . . 71 GLY CA . 5658 1 427 . 1 1 71 71 GLY N N 15 105.3 0.1 . 1 . . . . 71 GLY N . 5658 1 428 . 1 1 72 72 LEU H H 1 7.11 0.02 . 1 . . . . 72 LEU H . 5658 1 429 . 1 1 72 72 LEU HD11 H 1 0.83 . . 2 . . . . 72 LEU HD11 . 5658 1 430 . 1 1 72 72 LEU HD12 H 1 0.83 . . 2 . . . . 72 LEU HD12 . 5658 1 431 . 1 1 72 72 LEU HD13 H 1 0.83 . . 2 . . . . 72 LEU HD13 . 5658 1 432 . 1 1 72 72 LEU HD21 H 1 0.89 . . 2 . . . . 72 LEU HD21 . 5658 1 433 . 1 1 72 72 LEU HD22 H 1 0.89 . . 2 . . . . 72 LEU HD22 . 5658 1 434 . 1 1 72 72 LEU HD23 H 1 0.89 . . 2 . . . . 72 LEU HD23 . 5658 1 435 . 1 1 72 72 LEU C C 13 174.9 0.2 . 1 . . . . 72 LEU C . 5658 1 436 . 1 1 72 72 LEU CA C 13 52.89 0.2 . 1 . . . . 72 LEU CA . 5658 1 437 . 1 1 72 72 LEU CB C 13 41.89 0.2 . 1 . . . . 72 LEU CB . 5658 1 438 . 1 1 72 72 LEU CD1 C 13 27.2 . . 2 . . . . 72 LEU CD1 . 5658 1 439 . 1 1 72 72 LEU CD2 C 13 25.2 . . 2 . . . . 72 LEU CD2 . 5658 1 440 . 1 1 72 72 LEU N N 15 119.0 0.1 . 1 . . . . 72 LEU N . 5658 1 441 . 1 1 73 73 GLY H H 1 7.68 0.02 . 1 . . . . 73 GLY H . 5658 1 442 . 1 1 73 73 GLY C C 13 181.5 0.2 . 1 . . . . 73 GLY C . 5658 1 443 . 1 1 73 73 GLY CA C 13 43.31 0.2 . 1 . . . . 73 GLY CA . 5658 1 444 . 1 1 73 73 GLY N N 15 106.9 0.1 . 1 . . . . 73 GLY N . 5658 1 445 . 1 1 74 74 PRO C C 13 178.4 0.2 . 1 . . . . 74 PRO C . 5658 1 446 . 1 1 74 74 PRO CA C 13 63.23 0.2 . 1 . . . . 74 PRO CA . 5658 1 447 . 1 1 74 74 PRO CB C 13 30.32 0.2 . 1 . . . . 74 PRO CB . 5658 1 448 . 1 1 75 75 GLY H H 1 9.10 0.02 . 1 . . . . 75 GLY H . 5658 1 449 . 1 1 75 75 GLY C C 13 175.3 0.2 . 1 . . . . 75 GLY C . 5658 1 450 . 1 1 75 75 GLY CA C 13 45.01 0.2 . 1 . . . . 75 GLY CA . 5658 1 451 . 1 1 75 75 GLY N N 15 113.4 0.1 . 1 . . . . 75 GLY N . 5658 1 452 . 1 1 76 76 SER H H 1 8.17 0.02 . 1 . . . . 76 SER H . 5658 1 453 . 1 1 76 76 SER C C 13 171.6 0.2 . 1 . . . . 76 SER C . 5658 1 454 . 1 1 76 76 SER CA C 13 60.25 0.2 . 1 . . . . 76 SER CA . 5658 1 455 . 1 1 76 76 SER CB C 13 64.14 0.2 . 1 . . . . 76 SER CB . 5658 1 456 . 1 1 76 76 SER N N 15 117.2 0.1 . 1 . . . . 76 SER N . 5658 1 457 . 1 1 77 77 THR H H 1 8.94 0.02 . 1 . . . . 77 THR H . 5658 1 458 . 1 1 77 77 THR C C 13 173.1 0.2 . 1 . . . . 77 THR C . 5658 1 459 . 1 1 77 77 THR CA C 13 61.23 0.2 . 1 . . . . 77 THR CA . 5658 1 460 . 1 1 77 77 THR CB C 13 70.47 0.2 . 1 . . . . 77 THR CB . 5658 1 461 . 1 1 77 77 THR N N 15 117.5 0.1 . 1 . . . . 77 THR N . 5658 1 462 . 1 1 78 78 VAL H H 1 8.96 0.02 . 1 . . . . 78 VAL H . 5658 1 463 . 1 1 78 78 VAL HG11 H 1 0.82 . . 2 . . . . 78 VAL HG11 . 5658 1 464 . 1 1 78 78 VAL HG12 H 1 0.82 . . 2 . . . . 78 VAL HG12 . 5658 1 465 . 1 1 78 78 VAL HG13 H 1 0.82 . . 2 . . . . 78 VAL HG13 . 5658 1 466 . 1 1 78 78 VAL HG21 H 1 0.87 . . 2 . . . . 78 VAL HG21 . 5658 1 467 . 1 1 78 78 VAL HG22 H 1 0.87 . . 2 . . . . 78 VAL HG22 . 5658 1 468 . 1 1 78 78 VAL HG23 H 1 0.87 . . 2 . . . . 78 VAL HG23 . 5658 1 469 . 1 1 78 78 VAL C C 13 172.7 0.2 . 1 . . . . 78 VAL C . 5658 1 470 . 1 1 78 78 VAL CA C 13 58.20 0.2 . 1 . . . . 78 VAL CA . 5658 1 471 . 1 1 78 78 VAL CB C 13 34.10 0.2 . 1 . . . . 78 VAL CB . 5658 1 472 . 1 1 78 78 VAL CG1 C 13 22.02 . . 2 . . . . 78 VAL CG1 . 5658 1 473 . 1 1 78 78 VAL CG2 C 13 23.28 . . 2 . . . . 78 VAL CG2 . 5658 1 474 . 1 1 78 78 VAL N N 15 120.2 0.1 . 1 . . . . 78 VAL N . 5658 1 475 . 1 1 79 79 LEU H H 1 9.30 0.02 . 1 . . . . 79 LEU H . 5658 1 476 . 1 1 79 79 LEU HD11 H 1 0.72 . . 2 . . . . 79 LEU HD11 . 5658 1 477 . 1 1 79 79 LEU HD12 H 1 0.72 . . 2 . . . . 79 LEU HD12 . 5658 1 478 . 1 1 79 79 LEU HD13 H 1 0.72 . . 2 . . . . 79 LEU HD13 . 5658 1 479 . 1 1 79 79 LEU HD21 H 1 0.81 . . 2 . . . . 79 LEU HD21 . 5658 1 480 . 1 1 79 79 LEU HD22 H 1 0.81 . . 2 . . . . 79 LEU HD22 . 5658 1 481 . 1 1 79 79 LEU HD23 H 1 0.81 . . 2 . . . . 79 LEU HD23 . 5658 1 482 . 1 1 79 79 LEU C C 13 175.3 0.2 . 1 . . . . 79 LEU C . 5658 1 483 . 1 1 79 79 LEU CA C 13 52.66 0.2 . 1 . . . . 79 LEU CA . 5658 1 484 . 1 1 79 79 LEU CB C 13 43.05 0.2 . 1 . . . . 79 LEU CB . 5658 1 485 . 1 1 79 79 LEU CD1 C 13 23.84 . . 2 . . . . 79 LEU CD1 . 5658 1 486 . 1 1 79 79 LEU CD2 C 13 25.17 . . 2 . . . . 79 LEU CD2 . 5658 1 487 . 1 1 79 79 LEU N N 15 124.9 0.1 . 1 . . . . 79 LEU N . 5658 1 488 . 1 1 80 80 LEU H H 1 8.77 0.02 . 1 . . . . 80 LEU H . 5658 1 489 . 1 1 80 80 LEU HD11 H 1 0.81 . . 2 . . . . 80 LEU HD11 . 5658 1 490 . 1 1 80 80 LEU HD12 H 1 0.81 . . 2 . . . . 80 LEU HD12 . 5658 1 491 . 1 1 80 80 LEU HD13 H 1 0.81 . . 2 . . . . 80 LEU HD13 . 5658 1 492 . 1 1 80 80 LEU HD21 H 1 0.84 . . 2 . . . . 80 LEU HD21 . 5658 1 493 . 1 1 80 80 LEU HD22 H 1 0.84 . . 2 . . . . 80 LEU HD22 . 5658 1 494 . 1 1 80 80 LEU HD23 H 1 0.84 . . 2 . . . . 80 LEU HD23 . 5658 1 495 . 1 1 80 80 LEU C C 13 174.0 0.2 . 1 . . . . 80 LEU C . 5658 1 496 . 1 1 80 80 LEU CA C 13 52.90 0.2 . 1 . . . . 80 LEU CA . 5658 1 497 . 1 1 80 80 LEU CB C 13 43.25 0.2 . 1 . . . . 80 LEU CB . 5658 1 498 . 1 1 80 80 LEU CD1 C 13 23.85 . . 2 . . . . 80 LEU CD1 . 5658 1 499 . 1 1 80 80 LEU CD2 C 13 28.09 . . 2 . . . . 80 LEU CD2 . 5658 1 500 . 1 1 80 80 LEU N N 15 126.8 0.1 . 1 . . . . 80 LEU N . 5658 1 501 . 1 1 81 81 VAL H H 1 8.87 0.02 . 1 . . . . 81 VAL H . 5658 1 502 . 1 1 81 81 VAL HG11 H 1 0.89 . . 2 . . . . 81 VAL HG11 . 5658 1 503 . 1 1 81 81 VAL HG12 H 1 0.89 . . 2 . . . . 81 VAL HG12 . 5658 1 504 . 1 1 81 81 VAL HG13 H 1 0.89 . . 2 . . . . 81 VAL HG13 . 5658 1 505 . 1 1 81 81 VAL HG21 H 1 0.95 . . 2 . . . . 81 VAL HG21 . 5658 1 506 . 1 1 81 81 VAL HG22 H 1 0.95 . . 2 . . . . 81 VAL HG22 . 5658 1 507 . 1 1 81 81 VAL HG23 H 1 0.95 . . 2 . . . . 81 VAL HG23 . 5658 1 508 . 1 1 81 81 VAL C C 13 173.5 0.2 . 1 . . . . 81 VAL C . 5658 1 509 . 1 1 81 81 VAL CA C 13 61.23 0.2 . 1 . . . . 81 VAL CA . 5658 1 510 . 1 1 81 81 VAL CB C 13 33.70 0.2 . 1 . . . . 81 VAL CB . 5658 1 511 . 1 1 81 81 VAL CG1 C 13 21.44 . . 2 . . . . 81 VAL CG1 . 5658 1 512 . 1 1 81 81 VAL CG2 C 13 22.22 . . 2 . . . . 81 VAL CG2 . 5658 1 513 . 1 1 81 81 VAL N N 15 128.5 0.1 . 1 . . . . 81 VAL N . 5658 1 514 . 1 1 82 82 VAL H H 1 8.43 0.02 . 1 . . . . 82 VAL H . 5658 1 515 . 1 1 82 82 VAL HG11 H 1 0.67 . . 2 . . . . 82 VAL HG11 . 5658 1 516 . 1 1 82 82 VAL HG12 H 1 0.67 . . 2 . . . . 82 VAL HG12 . 5658 1 517 . 1 1 82 82 VAL HG13 H 1 0.67 . . 2 . . . . 82 VAL HG13 . 5658 1 518 . 1 1 82 82 VAL HG21 H 1 0.77 . . 2 . . . . 82 VAL HG21 . 5658 1 519 . 1 1 82 82 VAL HG22 H 1 0.77 . . 2 . . . . 82 VAL HG22 . 5658 1 520 . 1 1 82 82 VAL HG23 H 1 0.77 . . 2 . . . . 82 VAL HG23 . 5658 1 521 . 1 1 82 82 VAL C C 13 175.6 0.2 . 1 . . . . 82 VAL C . 5658 1 522 . 1 1 82 82 VAL CA C 13 60.59 0.2 . 1 . . . . 82 VAL CA . 5658 1 523 . 1 1 82 82 VAL CB C 13 31.88 0.2 . 1 . . . . 82 VAL CB . 5658 1 524 . 1 1 82 82 VAL CG1 C 13 21.70 . . 2 . . . . 82 VAL CG1 . 5658 1 525 . 1 1 82 82 VAL CG2 C 13 21.86 . . 2 . . . . 82 VAL CG2 . 5658 1 526 . 1 1 82 82 VAL N N 15 125.5 0.1 . 1 . . . . 82 VAL N . 5658 1 527 . 1 1 83 83 ASP H H 1 9.02 0.02 . 1 . . . . 83 ASP H . 5658 1 528 . 1 1 83 83 ASP C C 13 175.6 0.2 . 1 . . . . 83 ASP C . 5658 1 529 . 1 1 83 83 ASP CA C 13 52.50 0.2 . 1 . . . . 83 ASP CA . 5658 1 530 . 1 1 83 83 ASP CB C 13 41.28 0.2 . 1 . . . . 83 ASP CB . 5658 1 531 . 1 1 83 83 ASP N N 15 130.4 0.1 . 1 . . . . 83 ASP N . 5658 1 532 . 1 1 84 84 LYS H H 1 8.71 0.02 . 1 . . . . 84 LYS H . 5658 1 533 . 1 1 84 84 LYS C C 13 177.2 0.2 . 1 . . . . 84 LYS C . 5658 1 534 . 1 1 84 84 LYS CA C 13 57.99 0.2 . 1 . . . . 84 LYS CA . 5658 1 535 . 1 1 84 84 LYS CB C 13 31.57 0.2 . 1 . . . . 84 LYS CB . 5658 1 536 . 1 1 84 84 LYS N N 15 123.5 0.1 . 1 . . . . 84 LYS N . 5658 1 537 . 1 1 85 85 CYS H H 1 8.77 0.02 . 1 . . . . 85 CYS H . 5658 1 538 . 1 1 85 85 CYS C C 13 175.2 0.2 . 1 . . . . 85 CYS C . 5658 1 539 . 1 1 85 85 CYS CA C 13 59.48 0.2 . 1 . . . . 85 CYS CA . 5658 1 540 . 1 1 85 85 CYS CB C 13 26.01 0.2 . 1 . . . . 85 CYS CB . 5658 1 541 . 1 1 85 85 CYS N N 15 111.8 0.1 . 1 . . . . 85 CYS N . 5658 1 542 . 1 1 86 86 ASP H H 1 8.24 0.02 . 1 . . . . 86 ASP H . 5658 1 543 . 1 1 86 86 ASP C C 13 176.0 0.2 . 1 . . . . 86 ASP C . 5658 1 544 . 1 1 86 86 ASP CA C 13 53.21 0.2 . 1 . . . . 86 ASP CA . 5658 1 545 . 1 1 86 86 ASP CB C 13 41.04 0.2 . 1 . . . . 86 ASP CB . 5658 1 546 . 1 1 86 86 ASP N N 15 117.1 0.1 . 1 . . . . 86 ASP N . 5658 1 547 . 1 1 87 87 GLU H H 1 8.35 0.02 . 1 . . . . 87 GLU H . 5658 1 548 . 1 1 87 87 GLU C C 13 174.6 0.2 . 1 . . . . 87 GLU C . 5658 1 549 . 1 1 87 87 GLU CA C 13 54.61 0.2 . 1 . . . . 87 GLU CA . 5658 1 550 . 1 1 87 87 GLU CB C 13 27.84 0.2 . 1 . . . . 87 GLU CB . 5658 1 551 . 1 1 87 87 GLU N N 15 120.7 0.1 . 1 . . . . 87 GLU N . 5658 1 552 . 1 1 88 88 PRO C C 13 175.8 0.2 . 1 . . . . 88 PRO C . 5658 1 553 . 1 1 88 88 PRO CA C 13 62.21 0.2 . 1 . . . . 88 PRO CA . 5658 1 554 . 1 1 88 88 PRO CB C 13 31.36 0.2 . 1 . . . . 88 PRO CB . 5658 1 555 . 1 1 89 89 LEU H H 1 9.16 0.02 . 1 . . . . 89 LEU H . 5658 1 556 . 1 1 89 89 LEU HD11 H 1 0.42 . . 2 . . . . 89 LEU HD11 . 5658 1 557 . 1 1 89 89 LEU HD12 H 1 0.42 . . 2 . . . . 89 LEU HD12 . 5658 1 558 . 1 1 89 89 LEU HD13 H 1 0.42 . . 2 . . . . 89 LEU HD13 . 5658 1 559 . 1 1 89 89 LEU HD21 H 1 0.73 . . 2 . . . . 89 LEU HD21 . 5658 1 560 . 1 1 89 89 LEU HD22 H 1 0.73 . . 2 . . . . 89 LEU HD22 . 5658 1 561 . 1 1 89 89 LEU HD23 H 1 0.73 . . 2 . . . . 89 LEU HD23 . 5658 1 562 . 1 1 89 89 LEU C C 13 174.2 0.2 . 1 . . . . 89 LEU C . 5658 1 563 . 1 1 89 89 LEU CA C 13 54.40 0.2 . 1 . . . . 89 LEU CA . 5658 1 564 . 1 1 89 89 LEU CB C 13 43.00 0.2 . 1 . . . . 89 LEU CB . 5658 1 565 . 1 1 89 89 LEU CD1 C 13 26.57 . . 2 . . . . 89 LEU CD1 . 5658 1 566 . 1 1 89 89 LEU CD2 C 13 26.64 . . 2 . . . . 89 LEU CD2 . 5658 1 567 . 1 1 89 89 LEU N N 15 120.4 0.1 . 1 . . . . 89 LEU N . 5658 1 568 . 1 1 90 90 SER H H 1 8.37 0.02 . 1 . . . . 90 SER H . 5658 1 569 . 1 1 90 90 SER C C 13 173.7 0.2 . 1 . . . . 90 SER C . 5658 1 570 . 1 1 90 90 SER CA C 13 57.09 0.2 . 1 . . . . 90 SER CA . 5658 1 571 . 1 1 90 90 SER CB C 13 63.99 0.2 . 1 . . . . 90 SER CB . 5658 1 572 . 1 1 90 90 SER N N 15 116.3 0.1 . 1 . . . . 90 SER N . 5658 1 573 . 1 1 91 91 ILE H H 1 9.01 0.02 . 1 . . . . 91 ILE H . 5658 1 574 . 1 1 91 91 ILE HD11 H 1 0.52 . . 1 . . . . 91 ILE HD11 . 5658 1 575 . 1 1 91 91 ILE HD12 H 1 0.52 . . 1 . . . . 91 ILE HD12 . 5658 1 576 . 1 1 91 91 ILE HD13 H 1 0.52 . . 1 . . . . 91 ILE HD13 . 5658 1 577 . 1 1 91 91 ILE C C 13 173.0 0.2 . 1 . . . . 91 ILE C . 5658 1 578 . 1 1 91 91 ILE CA C 13 58.77 0.2 . 1 . . . . 91 ILE CA . 5658 1 579 . 1 1 91 91 ILE CB C 13 40.96 0.2 . 1 . . . . 91 ILE CB . 5658 1 580 . 1 1 91 91 ILE CD1 C 13 15.33 . . 1 . . . . 91 ILE CD1 . 5658 1 581 . 1 1 91 91 ILE N N 15 117.5 0.1 . 1 . . . . 91 ILE N . 5658 1 582 . 1 1 92 92 LEU H H 1 8.80 0.02 . 1 . . . . 92 LEU H . 5658 1 583 . 1 1 92 92 LEU HD11 H 1 0.74 . . 2 . . . . 92 LEU HD11 . 5658 1 584 . 1 1 92 92 LEU HD12 H 1 0.74 . . 2 . . . . 92 LEU HD12 . 5658 1 585 . 1 1 92 92 LEU HD13 H 1 0.74 . . 2 . . . . 92 LEU HD13 . 5658 1 586 . 1 1 92 92 LEU HD21 H 1 0.67 . . 2 . . . . 92 LEU HD21 . 5658 1 587 . 1 1 92 92 LEU HD22 H 1 0.67 . . 2 . . . . 92 LEU HD22 . 5658 1 588 . 1 1 92 92 LEU HD23 H 1 0.67 . . 2 . . . . 92 LEU HD23 . 5658 1 589 . 1 1 92 92 LEU C C 13 176.6 0.2 . 1 . . . . 92 LEU C . 5658 1 590 . 1 1 92 92 LEU CA C 13 53.01 0.2 . 1 . . . . 92 LEU CA . 5658 1 591 . 1 1 92 92 LEU CB C 13 42.85 0.2 . 1 . . . . 92 LEU CB . 5658 1 592 . 1 1 92 92 LEU CD1 C 13 25.56 . . 2 . . . . 92 LEU CD1 . 5658 1 593 . 1 1 92 92 LEU CD2 C 13 25.37 . . 2 . . . . 92 LEU CD2 . 5658 1 594 . 1 1 92 92 LEU N N 15 120.6 0.1 . 1 . . . . 92 LEU N . 5658 1 595 . 1 1 93 93 VAL H H 1 8.71 0.02 . 1 . . . . 93 VAL H . 5658 1 596 . 1 1 93 93 VAL HG11 H 1 0.30 . . 2 . . . . 93 VAL HG11 . 5658 1 597 . 1 1 93 93 VAL HG12 H 1 0.30 . . 2 . . . . 93 VAL HG12 . 5658 1 598 . 1 1 93 93 VAL HG13 H 1 0.30 . . 2 . . . . 93 VAL HG13 . 5658 1 599 . 1 1 93 93 VAL HG21 H 1 0.50 . . 2 . . . . 93 VAL HG21 . 5658 1 600 . 1 1 93 93 VAL HG22 H 1 0.50 . . 2 . . . . 93 VAL HG22 . 5658 1 601 . 1 1 93 93 VAL HG23 H 1 0.50 . . 2 . . . . 93 VAL HG23 . 5658 1 602 . 1 1 93 93 VAL C C 13 176.3 0.2 . 1 . . . . 93 VAL C . 5658 1 603 . 1 1 93 93 VAL CA C 13 59.88 0.2 . 1 . . . . 93 VAL CA . 5658 1 604 . 1 1 93 93 VAL CB C 13 31.51 0.2 . 1 . . . . 93 VAL CB . 5658 1 605 . 1 1 93 93 VAL CG1 C 13 20.4 . . 2 . . . . 93 VAL CG1 . 5658 1 606 . 1 1 93 93 VAL CG2 C 13 21.39 . . 2 . . . . 93 VAL CG2 . 5658 1 607 . 1 1 93 93 VAL N N 15 118.1 0.1 . 1 . . . . 93 VAL N . 5658 1 608 . 1 1 94 94 ARG H H 1 8.87 0.02 . 1 . . . . 94 ARG H . 5658 1 609 . 1 1 94 94 ARG C C 13 175.2 0.2 . 1 . . . . 94 ARG C . 5658 1 610 . 1 1 94 94 ARG CA C 13 53.96 0.2 . 1 . . . . 94 ARG CA . 5658 1 611 . 1 1 94 94 ARG CB C 13 31.16 0.2 . 1 . . . . 94 ARG CB . 5658 1 612 . 1 1 94 94 ARG N N 15 130.8 0.1 . 1 . . . . 94 ARG N . 5658 1 613 . 1 1 95 95 ASN H H 1 8.37 0.02 . 1 . . . . 95 ASN H . 5658 1 614 . 1 1 95 95 ASN C C 13 175.1 0.2 . 1 . . . . 95 ASN C . 5658 1 615 . 1 1 95 95 ASN CA C 13 50.70 0.2 . 1 . . . . 95 ASN CA . 5658 1 616 . 1 1 95 95 ASN CB C 13 37.32 0.2 . 1 . . . . 95 ASN CB . 5658 1 617 . 1 1 95 95 ASN N N 15 124.3 0.1 . 1 . . . . 95 ASN N . 5658 1 618 . 1 1 96 96 ASN H H 1 8.61 0.02 . 1 . . . . 96 ASN H . 5658 1 619 . 1 1 96 96 ASN HD21 H 1 6.96 . . 2 . . . . 96 ASN HD21 . 5658 1 620 . 1 1 96 96 ASN HD22 H 1 7.83 . . 2 . . . . 96 ASN HD22 . 5658 1 621 . 1 1 96 96 ASN C C 13 175.3 0.2 . 1 . . . . 96 ASN C . 5658 1 622 . 1 1 96 96 ASN CA C 13 54.92 0.2 . 1 . . . . 96 ASN CA . 5658 1 623 . 1 1 96 96 ASN CB C 13 37.23 0.2 . 1 . . . . 96 ASN CB . 5658 1 624 . 1 1 96 96 ASN N N 15 114.5 0.1 . 1 . . . . 96 ASN N . 5658 1 625 . 1 1 96 96 ASN ND2 N 15 114.5 . . 1 . . . . 96 ASN ND2 . 5658 1 626 . 1 1 97 97 LYS H H 1 7.65 0.02 . 1 . . . . 97 LYS H . 5658 1 627 . 1 1 97 97 LYS C C 13 176.7 0.2 . 1 . . . . 97 LYS C . 5658 1 628 . 1 1 97 97 LYS CA C 13 54.77 0.2 . 1 . . . . 97 LYS CA . 5658 1 629 . 1 1 97 97 LYS CB C 13 31.11 0.2 . 1 . . . . 97 LYS CB . 5658 1 630 . 1 1 97 97 LYS N N 15 118.5 0.1 . 1 . . . . 97 LYS N . 5658 1 631 . 1 1 98 98 GLY H H 1 7.88 0.02 . 1 . . . . 98 GLY H . 5658 1 632 . 1 1 98 98 GLY C C 13 173.2 0.2 . 1 . . . . 98 GLY C . 5658 1 633 . 1 1 98 98 GLY CA C 13 44.70 0.2 . 1 . . . . 98 GLY CA . 5658 1 634 . 1 1 98 98 GLY N N 15 106.7 0.1 . 1 . . . . 98 GLY N . 5658 1 635 . 1 1 99 99 ARG H H 1 7.77 0.02 . 1 . . . . 99 ARG H . 5658 1 636 . 1 1 99 99 ARG C C 13 177.0 0.2 . 1 . . . . 99 ARG C . 5658 1 637 . 1 1 99 99 ARG CA C 13 54.57 0.2 . 1 . . . . 99 ARG CA . 5658 1 638 . 1 1 99 99 ARG CB C 13 30.43 0.2 . 1 . . . . 99 ARG CB . 5658 1 639 . 1 1 99 99 ARG N N 15 121.5 0.1 . 1 . . . . 99 ARG N . 5658 1 640 . 1 1 100 100 SER H H 1 9.36 0.02 . 1 . . . . 100 SER H . 5658 1 641 . 1 1 100 100 SER C C 13 173.4 0.2 . 1 . . . . 100 SER C . 5658 1 642 . 1 1 100 100 SER CA C 13 57.71 0.2 . 1 . . . . 100 SER CA . 5658 1 643 . 1 1 100 100 SER CB C 13 64.35 0.2 . 1 . . . . 100 SER CB . 5658 1 644 . 1 1 100 100 SER N N 15 126.5 0.1 . 1 . . . . 100 SER N . 5658 1 645 . 1 1 101 101 SER H H 1 8.04 0.02 . 1 . . . . 101 SER H . 5658 1 646 . 1 1 101 101 SER C C 13 171.5 0.2 . 1 . . . . 101 SER C . 5658 1 647 . 1 1 101 101 SER CA C 13 57.69 0.2 . 1 . . . . 101 SER CA . 5658 1 648 . 1 1 101 101 SER CB C 13 64.83 0.2 . 1 . . . . 101 SER CB . 5658 1 649 . 1 1 101 101 SER N N 15 119.7 0.1 . 1 . . . . 101 SER N . 5658 1 650 . 1 1 102 102 THR H H 1 8.31 0.02 . 1 . . . . 102 THR H . 5658 1 651 . 1 1 102 102 THR C C 13 173.8 0.2 . 1 . . . . 102 THR C . 5658 1 652 . 1 1 102 102 THR CA C 13 61.70 0.2 . 1 . . . . 102 THR CA . 5658 1 653 . 1 1 102 102 THR CB C 13 68.87 0.2 . 1 . . . . 102 THR CB . 5658 1 654 . 1 1 102 102 THR N N 15 118.3 0.1 . 1 . . . . 102 THR N . 5658 1 655 . 1 1 103 103 TYR H H 1 9.25 0.02 . 1 . . . . 103 TYR H . 5658 1 656 . 1 1 103 103 TYR C C 13 173.6 0.2 . 1 . . . . 103 TYR C . 5658 1 657 . 1 1 103 103 TYR CA C 13 56.63 0.2 . 1 . . . . 103 TYR CA . 5658 1 658 . 1 1 103 103 TYR CB C 13 40.57 0.2 . 1 . . . . 103 TYR CB . 5658 1 659 . 1 1 103 103 TYR N N 15 125.0 0.1 . 1 . . . . 103 TYR N . 5658 1 660 . 1 1 104 104 GLU H H 1 8.76 0.02 . 1 . . . . 104 GLU H . 5658 1 661 . 1 1 104 104 GLU C C 13 176.2 0.2 . 1 . . . . 104 GLU C . 5658 1 662 . 1 1 104 104 GLU CA C 13 55.16 0.2 . 1 . . . . 104 GLU CA . 5658 1 663 . 1 1 104 104 GLU CB C 13 29.31 0.2 . 1 . . . . 104 GLU CB . 5658 1 664 . 1 1 104 104 GLU N N 15 123.2 0.1 . 1 . . . . 104 GLU N . 5658 1 665 . 1 1 105 105 VAL H H 1 9.32 0.02 . 1 . . . . 105 VAL H . 5658 1 666 . 1 1 105 105 VAL HG11 H 1 0.47 . . 2 . . . . 105 VAL HG11 . 5658 1 667 . 1 1 105 105 VAL HG12 H 1 0.47 . . 2 . . . . 105 VAL HG12 . 5658 1 668 . 1 1 105 105 VAL HG13 H 1 0.47 . . 2 . . . . 105 VAL HG13 . 5658 1 669 . 1 1 105 105 VAL HG21 H 1 0.80 . . 2 . . . . 105 VAL HG21 . 5658 1 670 . 1 1 105 105 VAL HG22 H 1 0.80 . . 2 . . . . 105 VAL HG22 . 5658 1 671 . 1 1 105 105 VAL HG23 H 1 0.80 . . 2 . . . . 105 VAL HG23 . 5658 1 672 . 1 1 105 105 VAL C C 13 173.7 0.2 . 1 . . . . 105 VAL C . 5658 1 673 . 1 1 105 105 VAL CA C 13 57.77 0.2 . 1 . . . . 105 VAL CA . 5658 1 674 . 1 1 105 105 VAL CB C 13 35.23 0.2 . 1 . . . . 105 VAL CB . 5658 1 675 . 1 1 105 105 VAL CG1 C 13 18.32 . . 2 . . . . 105 VAL CG1 . 5658 1 676 . 1 1 105 105 VAL CG2 C 13 22.39 . . 2 . . . . 105 VAL CG2 . 5658 1 677 . 1 1 105 105 VAL N N 15 120.3 0.1 . 1 . . . . 105 VAL N . 5658 1 678 . 1 1 106 106 ARG H H 1 7.64 0.02 . 1 . . . . 106 ARG H . 5658 1 679 . 1 1 106 106 ARG C C 13 177.8 0.2 . 1 . . . . 106 ARG C . 5658 1 680 . 1 1 106 106 ARG CA C 13 53.69 0.2 . 1 . . . . 106 ARG CA . 5658 1 681 . 1 1 106 106 ARG CB C 13 33.40 0.2 . 1 . . . . 106 ARG CB . 5658 1 682 . 1 1 106 106 ARG N N 15 113.8 0.1 . 1 . . . . 106 ARG N . 5658 1 683 . 1 1 107 107 LEU H H 1 9.85 0.02 . 1 . . . . 107 LEU H . 5658 1 684 . 1 1 107 107 LEU HD11 H 1 0.42 . . 2 . . . . 107 LEU HD11 . 5658 1 685 . 1 1 107 107 LEU HD12 H 1 0.42 . . 2 . . . . 107 LEU HD12 . 5658 1 686 . 1 1 107 107 LEU HD13 H 1 0.42 . . 2 . . . . 107 LEU HD13 . 5658 1 687 . 1 1 107 107 LEU HD21 H 1 0.96 . . 2 . . . . 107 LEU HD21 . 5658 1 688 . 1 1 107 107 LEU HD22 H 1 0.96 . . 2 . . . . 107 LEU HD22 . 5658 1 689 . 1 1 107 107 LEU HD23 H 1 0.96 . . 2 . . . . 107 LEU HD23 . 5658 1 690 . 1 1 107 107 LEU C C 13 176.0 0.2 . 1 . . . . 107 LEU C . 5658 1 691 . 1 1 107 107 LEU CA C 13 56.35 0.2 . 1 . . . . 107 LEU CA . 5658 1 692 . 1 1 107 107 LEU CB C 13 39.79 0.2 . 1 . . . . 107 LEU CB . 5658 1 693 . 1 1 107 107 LEU CD1 C 13 21.58 . . 2 . . . . 107 LEU CD1 . 5658 1 694 . 1 1 107 107 LEU CD2 C 13 25.89 . . 2 . . . . 107 LEU CD2 . 5658 1 695 . 1 1 107 107 LEU N N 15 119.9 0.1 . 1 . . . . 107 LEU N . 5658 1 696 . 1 1 108 108 THR H H 1 7.12 0.02 . 1 . . . . 108 THR H . 5658 1 697 . 1 1 108 108 THR C C 13 175.9 0.2 . 1 . . . . 108 THR C . 5658 1 698 . 1 1 108 108 THR CA C 13 61.35 0.2 . 1 . . . . 108 THR CA . 5658 1 699 . 1 1 108 108 THR CB C 13 68.34 0.2 . 1 . . . . 108 THR CB . 5658 1 700 . 1 1 108 108 THR N N 15 101.1 0.1 . 1 . . . . 108 THR N . 5658 1 701 . 1 1 109 109 GLN H H 1 7.61 0.02 . 1 . . . . 109 GLN H . 5658 1 702 . 1 1 109 109 GLN HE21 H 1 7.23 . . 2 . . . . 109 GLN HE21 . 5658 1 703 . 1 1 109 109 GLN HE22 H 1 7.35 . . 2 . . . . 109 GLN HE22 . 5658 1 704 . 1 1 109 109 GLN C C 13 174.8 0.2 . 1 . . . . 109 GLN C . 5658 1 705 . 1 1 109 109 GLN CA C 13 54.32 0.2 . 1 . . . . 109 GLN CA . 5658 1 706 . 1 1 109 109 GLN CB C 13 28.28 0.2 . 1 . . . . 109 GLN CB . 5658 1 707 . 1 1 109 109 GLN N N 15 121.5 0.1 . 1 . . . . 109 GLN N . 5658 1 708 . 1 1 109 109 GLN NE2 N 15 113.6 . . 1 . . . . 109 GLN NE2 . 5658 1 709 . 1 1 110 110 THR H H 1 8.49 0.02 . 1 . . . . 110 THR H . 5658 1 710 . 1 1 110 110 THR C C 13 176.5 0.2 . 1 . . . . 110 THR C . 5658 1 711 . 1 1 110 110 THR CA C 13 60.26 0.2 . 1 . . . . 110 THR CA . 5658 1 712 . 1 1 110 110 THR CB C 13 70.86 0.2 . 1 . . . . 110 THR CB . 5658 1 713 . 1 1 110 110 THR N N 15 109.6 0.1 . 1 . . . . 110 THR N . 5658 1 714 . 1 1 111 111 VAL H H 1 8.45 0.02 . 1 . . . . 111 VAL H . 5658 1 715 . 1 1 111 111 VAL HG11 H 1 0.71 . . 2 . . . . 111 VAL HG11 . 5658 1 716 . 1 1 111 111 VAL HG12 H 1 0.71 . . 2 . . . . 111 VAL HG12 . 5658 1 717 . 1 1 111 111 VAL HG13 H 1 0.71 . . 2 . . . . 111 VAL HG13 . 5658 1 718 . 1 1 111 111 VAL HG21 H 1 1.04 . . 2 . . . . 111 VAL HG21 . 5658 1 719 . 1 1 111 111 VAL HG22 H 1 1.04 . . 2 . . . . 111 VAL HG22 . 5658 1 720 . 1 1 111 111 VAL HG23 H 1 1.04 . . 2 . . . . 111 VAL HG23 . 5658 1 721 . 1 1 111 111 VAL C C 13 178.6 0.2 . 1 . . . . 111 VAL C . 5658 1 722 . 1 1 111 111 VAL CA C 13 65.83 0.2 . 1 . . . . 111 VAL CA . 5658 1 723 . 1 1 111 111 VAL CB C 13 30.62 0.2 . 1 . . . . 111 VAL CB . 5658 1 724 . 1 1 111 111 VAL CG1 C 13 21.52 . . 2 . . . . 111 VAL CG1 . 5658 1 725 . 1 1 111 111 VAL CG2 C 13 24.87 . . 2 . . . . 111 VAL CG2 . 5658 1 726 . 1 1 111 111 VAL N N 15 121.7 0.1 . 1 . . . . 111 VAL N . 5658 1 727 . 1 1 112 112 ALA H H 1 9.12 0.02 . 1 . . . . 112 ALA H . 5658 1 728 . 1 1 112 112 ALA C C 13 179.6 0.2 . 1 . . . . 112 ALA C . 5658 1 729 . 1 1 112 112 ALA CA C 13 54.81 0.2 . 1 . . . . 112 ALA CA . 5658 1 730 . 1 1 112 112 ALA CB C 13 17.36 0.2 . 1 . . . . 112 ALA CB . 5658 1 731 . 1 1 112 112 ALA N N 15 121.5 0.1 . 1 . . . . 112 ALA N . 5658 1 732 . 1 1 113 113 HIS H H 1 8.05 0.02 . 1 . . . . 113 HIS H . 5658 1 733 . 1 1 113 113 HIS C C 13 178.6 0.2 . 1 . . . . 113 HIS C . 5658 1 734 . 1 1 113 113 HIS CA C 13 59.41 0.2 . 1 . . . . 113 HIS CA . 5658 1 735 . 1 1 113 113 HIS CB C 13 29.22 0.2 . 1 . . . . 113 HIS CB . 5658 1 736 . 1 1 113 113 HIS N N 15 119.3 0.1 . 1 . . . . 113 HIS N . 5658 1 737 . 1 1 114 114 LEU H H 1 7.76 0.02 . 1 . . . . 114 LEU H . 5658 1 738 . 1 1 114 114 LEU HD11 H 1 0.45 . . 2 . . . . 114 LEU HD11 . 5658 1 739 . 1 1 114 114 LEU HD12 H 1 0.45 . . 2 . . . . 114 LEU HD12 . 5658 1 740 . 1 1 114 114 LEU HD13 H 1 0.45 . . 2 . . . . 114 LEU HD13 . 5658 1 741 . 1 1 114 114 LEU HD21 H 1 0.52 . . 2 . . . . 114 LEU HD21 . 5658 1 742 . 1 1 114 114 LEU HD22 H 1 0.52 . . 2 . . . . 114 LEU HD22 . 5658 1 743 . 1 1 114 114 LEU HD23 H 1 0.52 . . 2 . . . . 114 LEU HD23 . 5658 1 744 . 1 1 114 114 LEU C C 13 178.7 0.2 . 1 . . . . 114 LEU C . 5658 1 745 . 1 1 114 114 LEU CA C 13 57.22 0.2 . 1 . . . . 114 LEU CA . 5658 1 746 . 1 1 114 114 LEU CB C 13 39.75 0.2 . 1 . . . . 114 LEU CB . 5658 1 747 . 1 1 114 114 LEU CD1 C 13 22.20 . . 2 . . . . 114 LEU CD1 . 5658 1 748 . 1 1 114 114 LEU CD2 C 13 27.14 . . 2 . . . . 114 LEU CD2 . 5658 1 749 . 1 1 114 114 LEU N N 15 121.1 0.1 . 1 . . . . 114 LEU N . 5658 1 750 . 1 1 115 115 LYS H H 1 9.28 0.02 . 1 . . . . 115 LYS H . 5658 1 751 . 1 1 115 115 LYS C C 13 178.5 0.2 . 1 . . . . 115 LYS C . 5658 1 752 . 1 1 115 115 LYS CA C 13 60.83 0.2 . 1 . . . . 115 LYS CA . 5658 1 753 . 1 1 115 115 LYS CB C 13 30.24 0.2 . 1 . . . . 115 LYS CB . 5658 1 754 . 1 1 115 115 LYS N N 15 118.0 0.1 . 1 . . . . 115 LYS N . 5658 1 755 . 1 1 116 116 GLN H H 1 7.94 0.02 . 1 . . . . 116 GLN H . 5658 1 756 . 1 1 116 116 GLN HE21 H 1 7.54 . . 2 . . . . 116 GLN HE21 . 5658 1 757 . 1 1 116 116 GLN HE22 H 1 6.87 . . 2 . . . . 116 GLN HE22 . 5658 1 758 . 1 1 116 116 GLN C C 13 179.5 0.2 . 1 . . . . 116 GLN C . 5658 1 759 . 1 1 116 116 GLN CA C 13 60.82 0.2 . 1 . . . . 116 GLN CA . 5658 1 760 . 1 1 116 116 GLN CB C 13 26.84 0.2 . 1 . . . . 116 GLN CB . 5658 1 761 . 1 1 116 116 GLN N N 15 118.0 0.1 . 1 . . . . 116 GLN N . 5658 1 762 . 1 1 116 116 GLN NE2 N 15 112.0 . . 1 . . . . 116 GLN NE2 . 5658 1 763 . 1 1 117 117 GLN H H 1 7.65 0.02 . 1 . . . . 117 GLN H . 5658 1 764 . 1 1 117 117 GLN HE21 H 1 6.86 . . 2 . . . . 117 GLN HE21 . 5658 1 765 . 1 1 117 117 GLN HE22 H 1 7.56 . . 2 . . . . 117 GLN HE22 . 5658 1 766 . 1 1 117 117 GLN C C 13 179.4 0.2 . 1 . . . . 117 GLN C . 5658 1 767 . 1 1 117 117 GLN CA C 13 58.88 0.2 . 1 . . . . 117 GLN CA . 5658 1 768 . 1 1 117 117 GLN CB C 13 29.34 0.2 . 1 . . . . 117 GLN CB . 5658 1 769 . 1 1 117 117 GLN N N 15 120.2 0.1 . 1 . . . . 117 GLN N . 5658 1 770 . 1 1 117 117 GLN NE2 N 15 112.45 . . 1 . . . . 117 GLN NE2 . 5658 1 771 . 1 1 118 118 VAL H H 1 8.45 0.02 . 1 . . . . 118 VAL H . 5658 1 772 . 1 1 118 118 VAL HG11 H 1 0.53 . . 2 . . . . 118 VAL HG11 . 5658 1 773 . 1 1 118 118 VAL HG12 H 1 0.53 . . 2 . . . . 118 VAL HG12 . 5658 1 774 . 1 1 118 118 VAL HG13 H 1 0.53 . . 2 . . . . 118 VAL HG13 . 5658 1 775 . 1 1 118 118 VAL HG21 H 1 0.53 . . 2 . . . . 118 VAL HG21 . 5658 1 776 . 1 1 118 118 VAL HG22 H 1 0.53 . . 2 . . . . 118 VAL HG22 . 5658 1 777 . 1 1 118 118 VAL HG23 H 1 0.53 . . 2 . . . . 118 VAL HG23 . 5658 1 778 . 1 1 118 118 VAL C C 13 178.0 0.2 . 1 . . . . 118 VAL C . 5658 1 779 . 1 1 118 118 VAL CA C 13 63.72 0.2 . 1 . . . . 118 VAL CA . 5658 1 780 . 1 1 118 118 VAL CB C 13 31.74 0.2 . 1 . . . . 118 VAL CB . 5658 1 781 . 1 1 118 118 VAL CG1 C 13 22.97 . . 2 . . . . 118 VAL CG1 . 5658 1 782 . 1 1 118 118 VAL CG2 C 13 22.97 . . 2 . . . . 118 VAL CG2 . 5658 1 783 . 1 1 118 118 VAL N N 15 122.6 0.1 . 1 . . . . 118 VAL N . 5658 1 784 . 1 1 119 119 SER H H 1 9.14 0.02 . 1 . . . . 119 SER H . 5658 1 785 . 1 1 119 119 SER C C 13 178.7 0.2 . 1 . . . . 119 SER C . 5658 1 786 . 1 1 119 119 SER CA C 13 60.76 0.2 . 1 . . . . 119 SER CA . 5658 1 787 . 1 1 119 119 SER CB C 13 63.76 0.2 . 1 . . . . 119 SER CB . 5658 1 788 . 1 1 119 119 SER N N 15 114.4 0.1 . 1 . . . . 119 SER N . 5658 1 789 . 1 1 120 120 GLY H H 1 7.81 0.02 . 1 . . . . 120 GLY H . 5658 1 790 . 1 1 120 120 GLY C C 13 174.8 0.2 . 1 . . . . 120 GLY C . 5658 1 791 . 1 1 120 120 GLY CA C 13 46.27 0.2 . 1 . . . . 120 GLY CA . 5658 1 792 . 1 1 120 120 GLY N N 15 105.0 0.1 . 1 . . . . 120 GLY N . 5658 1 793 . 1 1 121 121 LEU H H 1 7.58 0.02 . 1 . . . . 121 LEU H . 5658 1 794 . 1 1 121 121 LEU HD11 H 1 0.78 . . 2 . . . . 121 LEU HD11 . 5658 1 795 . 1 1 121 121 LEU HD12 H 1 0.78 . . 2 . . . . 121 LEU HD12 . 5658 1 796 . 1 1 121 121 LEU HD13 H 1 0.78 . . 2 . . . . 121 LEU HD13 . 5658 1 797 . 1 1 121 121 LEU HD21 H 1 0.80 . . 2 . . . . 121 LEU HD21 . 5658 1 798 . 1 1 121 121 LEU HD22 H 1 0.80 . . 2 . . . . 121 LEU HD22 . 5658 1 799 . 1 1 121 121 LEU HD23 H 1 0.80 . . 2 . . . . 121 LEU HD23 . 5658 1 800 . 1 1 121 121 LEU C C 13 179.9 0.2 . 1 . . . . 121 LEU C . 5658 1 801 . 1 1 121 121 LEU CA C 13 57.71 0.2 . 1 . . . . 121 LEU CA . 5658 1 802 . 1 1 121 121 LEU CB C 13 41.38 0.2 . 1 . . . . 121 LEU CB . 5658 1 803 . 1 1 121 121 LEU CD1 C 13 24.07 . . 2 . . . . 121 LEU CD1 . 5658 1 804 . 1 1 121 121 LEU CD2 C 13 25.59 . . 2 . . . . 121 LEU CD2 . 5658 1 805 . 1 1 121 121 LEU N N 15 122.5 0.1 . 1 . . . . 121 LEU N . 5658 1 806 . 1 1 122 122 GLU H H 1 8.97 0.02 . 1 . . . . 122 GLU H . 5658 1 807 . 1 1 122 122 GLU C C 13 177.9 0.2 . 1 . . . . 122 GLU C . 5658 1 808 . 1 1 122 122 GLU CA C 13 55.74 0.2 . 1 . . . . 122 GLU CA . 5658 1 809 . 1 1 122 122 GLU CB C 13 28.37 0.2 . 1 . . . . 122 GLU CB . 5658 1 810 . 1 1 122 122 GLU N N 15 114.8 0.1 . 1 . . . . 122 GLU N . 5658 1 811 . 1 1 123 123 GLY H H 1 7.95 0.02 . 1 . . . . 123 GLY H . 5658 1 812 . 1 1 123 123 GLY C C 13 173.9 0.2 . 1 . . . . 123 GLY C . 5658 1 813 . 1 1 123 123 GLY CA C 13 45.99 0.2 . 1 . . . . 123 GLY CA . 5658 1 814 . 1 1 123 123 GLY N N 15 107.8 0.1 . 1 . . . . 123 GLY N . 5658 1 815 . 1 1 124 124 VAL H H 1 6.85 0.02 . 1 . . . . 124 VAL H . 5658 1 816 . 1 1 124 124 VAL HG11 H 1 0.77 . . 2 . . . . 124 VAL HG11 . 5658 1 817 . 1 1 124 124 VAL HG12 H 1 0.77 . . 2 . . . . 124 VAL HG12 . 5658 1 818 . 1 1 124 124 VAL HG13 H 1 0.77 . . 2 . . . . 124 VAL HG13 . 5658 1 819 . 1 1 124 124 VAL HG21 H 1 0.97 . . 2 . . . . 124 VAL HG21 . 5658 1 820 . 1 1 124 124 VAL HG22 H 1 0.97 . . 2 . . . . 124 VAL HG22 . 5658 1 821 . 1 1 124 124 VAL HG23 H 1 0.97 . . 2 . . . . 124 VAL HG23 . 5658 1 822 . 1 1 124 124 VAL C C 13 175.0 0.2 . 1 . . . . 124 VAL C . 5658 1 823 . 1 1 124 124 VAL CA C 13 59.48 0.2 . 1 . . . . 124 VAL CA . 5658 1 824 . 1 1 124 124 VAL CB C 13 33.98 0.2 . 1 . . . . 124 VAL CB . 5658 1 825 . 1 1 124 124 VAL CG1 C 13 21.29 . . 2 . . . . 124 VAL CG1 . 5658 1 826 . 1 1 124 124 VAL CG2 C 13 22.18 . . 2 . . . . 124 VAL CG2 . 5658 1 827 . 1 1 124 124 VAL N N 15 116.9 0.1 . 1 . . . . 124 VAL N . 5658 1 828 . 1 1 125 125 GLN H H 1 8.75 0.02 . 1 . . . . 125 GLN H . 5658 1 829 . 1 1 125 125 GLN HE21 H 1 7.55 . . 2 . . . . 125 GLN HE21 . 5658 1 830 . 1 1 125 125 GLN HE22 H 1 6.96 . . 2 . . . . 125 GLN HE22 . 5658 1 831 . 1 1 125 125 GLN C C 13 176.7 0.2 . 1 . . . . 125 GLN C . 5658 1 832 . 1 1 125 125 GLN CA C 13 56.80 0.2 . 1 . . . . 125 GLN CA . 5658 1 833 . 1 1 125 125 GLN CB C 13 28.74 0.2 . 1 . . . . 125 GLN CB . 5658 1 834 . 1 1 125 125 GLN N N 15 127.6 0.1 . 1 . . . . 125 GLN N . 5658 1 835 . 1 1 125 125 GLN NE2 N 15 110.4 . . 1 . . . . 125 GLN NE2 . 5658 1 836 . 1 1 126 126 ASP H H 1 8.69 0.02 . 1 . . . . 126 ASP H . 5658 1 837 . 1 1 126 126 ASP C C 13 175.4 0.2 . 1 . . . . 126 ASP C . 5658 1 838 . 1 1 126 126 ASP CA C 13 56.77 0.2 . 1 . . . . 126 ASP CA . 5658 1 839 . 1 1 126 126 ASP CB C 13 40.20 0.2 . 1 . . . . 126 ASP CB . 5658 1 840 . 1 1 126 126 ASP N N 15 119.9 0.1 . 1 . . . . 126 ASP N . 5658 1 841 . 1 1 127 127 ASP H H 1 8.26 0.02 . 1 . . . . 127 ASP H . 5658 1 842 . 1 1 127 127 ASP C C 13 177.2 0.2 . 1 . . . . 127 ASP C . 5658 1 843 . 1 1 127 127 ASP CA C 13 53.91 0.2 . 1 . . . . 127 ASP CA . 5658 1 844 . 1 1 127 127 ASP CB C 13 39.01 0.2 . 1 . . . . 127 ASP CB . 5658 1 845 . 1 1 127 127 ASP N N 15 113.0 0.1 . 1 . . . . 127 ASP N . 5658 1 846 . 1 1 128 128 LEU H H 1 8.10 0.02 . 1 . . . . 128 LEU H . 5658 1 847 . 1 1 128 128 LEU HD11 H 1 0.85 . . 2 . . . . 128 LEU HD11 . 5658 1 848 . 1 1 128 128 LEU HD12 H 1 0.85 . . 2 . . . . 128 LEU HD12 . 5658 1 849 . 1 1 128 128 LEU HD13 H 1 0.85 . . 2 . . . . 128 LEU HD13 . 5658 1 850 . 1 1 128 128 LEU HD21 H 1 1.01 . . 2 . . . . 128 LEU HD21 . 5658 1 851 . 1 1 128 128 LEU HD22 H 1 1.01 . . 2 . . . . 128 LEU HD22 . 5658 1 852 . 1 1 128 128 LEU HD23 H 1 1.01 . . 2 . . . . 128 LEU HD23 . 5658 1 853 . 1 1 128 128 LEU C C 13 176.0 0.2 . 1 . . . . 128 LEU C . 5658 1 854 . 1 1 128 128 LEU CA C 13 54.09 0.2 . 1 . . . . 128 LEU CA . 5658 1 855 . 1 1 128 128 LEU CB C 13 40.90 0.2 . 1 . . . . 128 LEU CB . 5658 1 856 . 1 1 128 128 LEU CD1 C 13 23.03 . . 2 . . . . 128 LEU CD1 . 5658 1 857 . 1 1 128 128 LEU CD2 C 13 26.04 . . 2 . . . . 128 LEU CD2 . 5658 1 858 . 1 1 128 128 LEU N N 15 118.0 0.1 . 1 . . . . 128 LEU N . 5658 1 859 . 1 1 129 129 PHE H H 1 7.50 0.02 . 1 . . . . 129 PHE H . 5658 1 860 . 1 1 129 129 PHE C C 13 171.9 0.2 . 1 . . . . 129 PHE C . 5658 1 861 . 1 1 129 129 PHE CA C 13 55.37 0.2 . 1 . . . . 129 PHE CA . 5658 1 862 . 1 1 129 129 PHE CB C 13 42.41 0.2 . 1 . . . . 129 PHE CB . 5658 1 863 . 1 1 129 129 PHE N N 15 113.6 0.1 . 1 . . . . 129 PHE N . 5658 1 864 . 1 1 130 130 TRP H H 1 9.17 0.02 . 1 . . . . 130 TRP H . 5658 1 865 . 1 1 130 130 TRP HE1 H 1 10.05 . . 1 . . . . 130 TRP HE1 . 5658 1 866 . 1 1 130 130 TRP C C 13 173.4 0.2 . 1 . . . . 130 TRP C . 5658 1 867 . 1 1 130 130 TRP CA C 13 55.50 0.2 . 1 . . . . 130 TRP CA . 5658 1 868 . 1 1 130 130 TRP CB C 13 31.98 0.2 . 1 . . . . 130 TRP CB . 5658 1 869 . 1 1 130 130 TRP N N 15 118.3 0.1 . 1 . . . . 130 TRP N . 5658 1 870 . 1 1 130 130 TRP NE1 N 15 129.2 . . 1 . . . . 130 TRP NE1 . 5658 1 871 . 1 1 131 131 LEU H H 1 10.08 0.02 . 1 . . . . 131 LEU H . 5658 1 872 . 1 1 131 131 LEU HD11 H 1 0.83 . . 2 . . . . 131 LEU HD11 . 5658 1 873 . 1 1 131 131 LEU HD12 H 1 0.83 . . 2 . . . . 131 LEU HD12 . 5658 1 874 . 1 1 131 131 LEU HD13 H 1 0.83 . . 2 . . . . 131 LEU HD13 . 5658 1 875 . 1 1 131 131 LEU HD21 H 1 0.75 . . 2 . . . . 131 LEU HD21 . 5658 1 876 . 1 1 131 131 LEU HD22 H 1 0.75 . . 2 . . . . 131 LEU HD22 . 5658 1 877 . 1 1 131 131 LEU HD23 H 1 0.75 . . 2 . . . . 131 LEU HD23 . 5658 1 878 . 1 1 131 131 LEU C C 13 176.5 0.2 . 1 . . . . 131 LEU C . 5658 1 879 . 1 1 131 131 LEU CA C 13 52.25 0.2 . 1 . . . . 131 LEU CA . 5658 1 880 . 1 1 131 131 LEU CB C 13 43.02 0.2 . 1 . . . . 131 LEU CB . 5658 1 881 . 1 1 131 131 LEU CD1 C 13 23.35 . . 2 . . . . 131 LEU CD1 . 5658 1 882 . 1 1 131 131 LEU CD2 C 13 26.47 . . 2 . . . . 131 LEU CD2 . 5658 1 883 . 1 1 131 131 LEU N N 15 122.9 0.1 . 1 . . . . 131 LEU N . 5658 1 884 . 1 1 132 132 THR H H 1 8.83 0.02 . 1 . . . . 132 THR H . 5658 1 885 . 1 1 132 132 THR C C 13 173.4 0.2 . 1 . . . . 132 THR C . 5658 1 886 . 1 1 132 132 THR CA C 13 58.55 0.2 . 1 . . . . 132 THR CA . 5658 1 887 . 1 1 132 132 THR CB C 13 72.03 0.2 . 1 . . . . 132 THR CB . 5658 1 888 . 1 1 132 132 THR N N 15 109.6 0.1 . 1 . . . . 132 THR N . 5658 1 889 . 1 1 133 133 PHE H H 1 8.68 0.02 . 1 . . . . 133 PHE H . 5658 1 890 . 1 1 133 133 PHE C C 13 174.6 0.2 . 1 . . . . 133 PHE C . 5658 1 891 . 1 1 133 133 PHE CA C 13 55.91 0.2 . 1 . . . . 133 PHE CA . 5658 1 892 . 1 1 133 133 PHE CB C 13 42.22 0.2 . 1 . . . . 133 PHE CB . 5658 1 893 . 1 1 133 133 PHE N N 15 119.3 0.1 . 1 . . . . 133 PHE N . 5658 1 894 . 1 1 134 134 GLU H H 1 9.27 0.02 . 1 . . . . 134 GLU H . 5658 1 895 . 1 1 134 134 GLU C C 13 176.2 0.2 . 1 . . . . 134 GLU C . 5658 1 896 . 1 1 134 134 GLU CA C 13 56.15 0.2 . 1 . . . . 134 GLU CA . 5658 1 897 . 1 1 134 134 GLU CB C 13 25.79 0.2 . 1 . . . . 134 GLU CB . 5658 1 898 . 1 1 134 134 GLU N N 15 127.8 0.1 . 1 . . . . 134 GLU N . 5658 1 899 . 1 1 135 135 GLY H H 1 8.51 0.02 . 1 . . . . 135 GLY H . 5658 1 900 . 1 1 135 135 GLY C C 13 173.6 0.2 . 1 . . . . 135 GLY C . 5658 1 901 . 1 1 135 135 GLY CA C 13 44.50 0.2 . 1 . . . . 135 GLY CA . 5658 1 902 . 1 1 135 135 GLY N N 15 102.6 0.1 . 1 . . . . 135 GLY N . 5658 1 903 . 1 1 136 136 LYS H H 1 7.88 0.02 . 1 . . . . 136 LYS H . 5658 1 904 . 1 1 136 136 LYS C C 13 173.8 0.2 . 1 . . . . 136 LYS C . 5658 1 905 . 1 1 136 136 LYS CA C 13 52.71 0.2 . 1 . . . . 136 LYS CA . 5658 1 906 . 1 1 136 136 LYS CB C 13 32.73 0.2 . 1 . . . . 136 LYS CB . 5658 1 907 . 1 1 136 136 LYS N N 15 123.0 0.1 . 1 . . . . 136 LYS N . 5658 1 908 . 1 1 137 137 PRO C C 13 175.7 0.2 . 1 . . . . 137 PRO C . 5658 1 909 . 1 1 137 137 PRO CA C 13 61.77 0.2 . 1 . . . . 137 PRO CA . 5658 1 910 . 1 1 137 137 PRO CB C 13 30.79 0.2 . 1 . . . . 137 PRO CB . 5658 1 911 . 1 1 138 138 LEU H H 1 8.54 0.02 . 1 . . . . 138 LEU H . 5658 1 912 . 1 1 138 138 LEU C C 13 175.7 0.2 . 1 . . . . 138 LEU C . 5658 1 913 . 1 1 138 138 LEU CA C 13 53.51 0.2 . 1 . . . . 138 LEU CA . 5658 1 914 . 1 1 138 138 LEU CB C 13 40.22 0.2 . 1 . . . . 138 LEU CB . 5658 1 915 . 1 1 138 138 LEU N N 15 122.8 0.1 . 1 . . . . 138 LEU N . 5658 1 916 . 1 1 139 139 GLU H H 1 8.67 0.02 . 1 . . . . 139 GLU H . 5658 1 917 . 1 1 139 139 GLU C C 13 175.7 0.2 . 1 . . . . 139 GLU C . 5658 1 918 . 1 1 139 139 GLU CA C 13 56.26 0.2 . 1 . . . . 139 GLU CA . 5658 1 919 . 1 1 139 139 GLU CB C 13 29.72 0.2 . 1 . . . . 139 GLU CB . 5658 1 920 . 1 1 139 139 GLU N N 15 125.1 0.1 . 1 . . . . 139 GLU N . 5658 1 921 . 1 1 140 140 ASP H H 1 8.28 0.02 . 1 . . . . 140 ASP H . 5658 1 922 . 1 1 140 140 ASP C C 13 176.2 0.2 . 1 . . . . 140 ASP C . 5658 1 923 . 1 1 140 140 ASP CA C 13 57.30 0.2 . 1 . . . . 140 ASP CA . 5658 1 924 . 1 1 140 140 ASP CB C 13 40.91 0.2 . 1 . . . . 140 ASP CB . 5658 1 925 . 1 1 140 140 ASP N N 15 120.4 0.1 . 1 . . . . 140 ASP N . 5658 1 926 . 1 1 141 141 GLN H H 1 8.75 0.02 . 1 . . . . 141 GLN H . 5658 1 927 . 1 1 141 141 GLN HE21 H 1 7.64 . . 2 . . . . 141 GLN HE21 . 5658 1 928 . 1 1 141 141 GLN HE22 H 1 6.99 . . 2 . . . . 141 GLN HE22 . 5658 1 929 . 1 1 141 141 GLN C C 13 176.2 0.2 . 1 . . . . 141 GLN C . 5658 1 930 . 1 1 141 141 GLN CA C 13 55.74 0.2 . 1 . . . . 141 GLN CA . 5658 1 931 . 1 1 141 141 GLN CB C 13 27.23 0.2 . 1 . . . . 141 GLN CB . 5658 1 932 . 1 1 141 141 GLN N N 15 112.3 0.1 . 1 . . . . 141 GLN N . 5658 1 933 . 1 1 141 141 GLN NE2 N 15 112.3 . . 1 . . . . 141 GLN NE2 . 5658 1 934 . 1 1 142 142 LEU H H 1 8.00 0.02 . 1 . . . . 142 LEU H . 5658 1 935 . 1 1 142 142 LEU C C 13 173.8 0.2 . 1 . . . . 142 LEU C . 5658 1 936 . 1 1 142 142 LEU CA C 13 52.44 0.2 . 1 . . . . 142 LEU CA . 5658 1 937 . 1 1 142 142 LEU CB C 13 40.18 0.2 . 1 . . . . 142 LEU CB . 5658 1 938 . 1 1 142 142 LEU N N 15 122.5 0.1 . 1 . . . . 142 LEU N . 5658 1 939 . 1 1 143 143 PRO C C 13 177.6 0.2 . 1 . . . . 143 PRO C . 5658 1 940 . 1 1 143 143 PRO CA C 13 60.72 0.2 . 1 . . . . 143 PRO CA . 5658 1 941 . 1 1 143 143 PRO CB C 13 30.43 0.2 . 1 . . . . 143 PRO CB . 5658 1 942 . 1 1 144 144 LEU H H 1 8.82 0.02 . 1 . . . . 144 LEU H . 5658 1 943 . 1 1 144 144 LEU HD11 H 1 0.62 . . 2 . . . . 144 LEU HD11 . 5658 1 944 . 1 1 144 144 LEU HD12 H 1 0.62 . . 2 . . . . 144 LEU HD12 . 5658 1 945 . 1 1 144 144 LEU HD13 H 1 0.62 . . 2 . . . . 144 LEU HD13 . 5658 1 946 . 1 1 144 144 LEU HD21 H 1 0.74 . . 2 . . . . 144 LEU HD21 . 5658 1 947 . 1 1 144 144 LEU HD22 H 1 0.74 . . 2 . . . . 144 LEU HD22 . 5658 1 948 . 1 1 144 144 LEU HD23 H 1 0.74 . . 2 . . . . 144 LEU HD23 . 5658 1 949 . 1 1 144 144 LEU C C 13 179.8 0.2 . 1 . . . . 144 LEU C . 5658 1 950 . 1 1 144 144 LEU CA C 13 57.14 0.2 . 1 . . . . 144 LEU CA . 5658 1 951 . 1 1 144 144 LEU CB C 13 40.36 0.2 . 1 . . . . 144 LEU CB . 5658 1 952 . 1 1 144 144 LEU CD1 C 13 23.24 . . 2 . . . . 144 LEU CD1 . 5658 1 953 . 1 1 144 144 LEU CD2 C 13 25.85 . . 2 . . . . 144 LEU CD2 . 5658 1 954 . 1 1 144 144 LEU N N 15 120.8 0.1 . 1 . . . . 144 LEU N . 5658 1 955 . 1 1 145 145 GLY H H 1 8.94 0.02 . 1 . . . . 145 GLY H . 5658 1 956 . 1 1 145 145 GLY C C 13 175.3 0.2 . 1 . . . . 145 GLY C . 5658 1 957 . 1 1 145 145 GLY CA C 13 45.44 0.2 . 1 . . . . 145 GLY CA . 5658 1 958 . 1 1 145 145 GLY N N 15 101.8 0.1 . 1 . . . . 145 GLY N . 5658 1 959 . 1 1 146 146 GLU H H 1 7.43 0.02 . 1 . . . . 146 GLU H . 5658 1 960 . 1 1 146 146 GLU C C 13 176.5 0.2 . 1 . . . . 146 GLU C . 5658 1 961 . 1 1 146 146 GLU CA C 13 56.81 0.2 . 1 . . . . 146 GLU CA . 5658 1 962 . 1 1 146 146 GLU CB C 13 27.95 0.2 . 1 . . . . 146 GLU CB . 5658 1 963 . 1 1 146 146 GLU N N 15 119.7 0.1 . 1 . . . . 146 GLU N . 5658 1 964 . 1 1 147 147 TYR H H 1 7.44 0.02 . 1 . . . . 147 TYR H . 5658 1 965 . 1 1 147 147 TYR C C 13 176.4 0.2 . 1 . . . . 147 TYR C . 5658 1 966 . 1 1 147 147 TYR CA C 13 58.02 0.2 . 1 . . . . 147 TYR CA . 5658 1 967 . 1 1 147 147 TYR CB C 13 38.34 0.2 . 1 . . . . 147 TYR CB . 5658 1 968 . 1 1 147 147 TYR N N 15 114.0 0.1 . 1 . . . . 147 TYR N . 5658 1 969 . 1 1 148 148 GLY H H 1 7.38 0.02 . 1 . . . . 148 GLY H . 5658 1 970 . 1 1 148 148 GLY C C 13 174.3 0.2 . 1 . . . . 148 GLY C . 5658 1 971 . 1 1 148 148 GLY CA C 13 46.43 0.2 . 1 . . . . 148 GLY CA . 5658 1 972 . 1 1 148 148 GLY N N 15 105.1 0.1 . 1 . . . . 148 GLY N . 5658 1 973 . 1 1 149 149 LEU H H 1 5.99 0.02 . 1 . . . . 149 LEU H . 5658 1 974 . 1 1 149 149 LEU HD11 H 1 -0.16 . . 2 . . . . 149 LEU HD11 . 5658 1 975 . 1 1 149 149 LEU HD12 H 1 -0.16 . . 2 . . . . 149 LEU HD12 . 5658 1 976 . 1 1 149 149 LEU HD13 H 1 -0.16 . . 2 . . . . 149 LEU HD13 . 5658 1 977 . 1 1 149 149 LEU HD21 H 1 0.37 . . 2 . . . . 149 LEU HD21 . 5658 1 978 . 1 1 149 149 LEU HD22 H 1 0.37 . . 2 . . . . 149 LEU HD22 . 5658 1 979 . 1 1 149 149 LEU HD23 H 1 0.37 . . 2 . . . . 149 LEU HD23 . 5658 1 980 . 1 1 149 149 LEU C C 13 174.3 0.2 . 1 . . . . 149 LEU C . 5658 1 981 . 1 1 149 149 LEU CA C 13 55.27 0.2 . 1 . . . . 149 LEU CA . 5658 1 982 . 1 1 149 149 LEU CB C 13 41.43 0.2 . 1 . . . . 149 LEU CB . 5658 1 983 . 1 1 149 149 LEU CD1 C 13 23.38 . . 2 . . . . 149 LEU CD1 . 5658 1 984 . 1 1 149 149 LEU CD2 C 13 26.50 . . 2 . . . . 149 LEU CD2 . 5658 1 985 . 1 1 149 149 LEU N N 15 115.7 0.1 . 1 . . . . 149 LEU N . 5658 1 986 . 1 1 150 150 LYS H H 1 7.80 0.02 . 1 . . . . 150 LYS H . 5658 1 987 . 1 1 150 150 LYS C C 13 172.9 0.2 . 1 . . . . 150 LYS C . 5658 1 988 . 1 1 150 150 LYS CA C 13 52.41 0.2 . 1 . . . . 150 LYS CA . 5658 1 989 . 1 1 150 150 LYS CB C 13 32.52 0.2 . 1 . . . . 150 LYS CB . 5658 1 990 . 1 1 150 150 LYS N N 15 119.8 0.1 . 1 . . . . 150 LYS N . 5658 1 991 . 1 1 151 151 PRO C C 13 177.8 0.2 . 1 . . . . 151 PRO C . 5658 1 992 . 1 1 151 151 PRO CA C 13 64.01 0.2 . 1 . . . . 151 PRO CA . 5658 1 993 . 1 1 151 151 PRO CB C 13 30.00 0.2 . 1 . . . . 151 PRO CB . 5658 1 994 . 1 1 152 152 LEU H H 1 9.80 0.02 . 1 . . . . 152 LEU H . 5658 1 995 . 1 1 152 152 LEU HD11 H 1 0.72 . . 2 . . . . 152 LEU HD11 . 5658 1 996 . 1 1 152 152 LEU HD12 H 1 0.72 . . 2 . . . . 152 LEU HD12 . 5658 1 997 . 1 1 152 152 LEU HD13 H 1 0.72 . . 2 . . . . 152 LEU HD13 . 5658 1 998 . 1 1 152 152 LEU HD21 H 1 0.88 . . 2 . . . . 152 LEU HD21 . 5658 1 999 . 1 1 152 152 LEU HD22 H 1 0.88 . . 2 . . . . 152 LEU HD22 . 5658 1 1000 . 1 1 152 152 LEU HD23 H 1 0.88 . . 2 . . . . 152 LEU HD23 . 5658 1 1001 . 1 1 152 152 LEU C C 13 176.1 0.2 . 1 . . . . 152 LEU C . 5658 1 1002 . 1 1 152 152 LEU CA C 13 56.19 0.2 . 1 . . . . 152 LEU CA . 5658 1 1003 . 1 1 152 152 LEU CB C 13 36.87 0.2 . 1 . . . . 152 LEU CB . 5658 1 1004 . 1 1 152 152 LEU CD1 C 13 22.47 . . 2 . . . . 152 LEU CD1 . 5658 1 1005 . 1 1 152 152 LEU CD2 C 13 25.41 . . 2 . . . . 152 LEU CD2 . 5658 1 1006 . 1 1 152 152 LEU N N 15 118.2 0.1 . 1 . . . . 152 LEU N . 5658 1 1007 . 1 1 153 153 SER H H 1 8.32 0.02 . 1 . . . . 153 SER H . 5658 1 1008 . 1 1 153 153 SER C C 13 172.0 0.2 . 1 . . . . 153 SER C . 5658 1 1009 . 1 1 153 153 SER CA C 13 61.10 0.2 . 1 . . . . 153 SER CA . 5658 1 1010 . 1 1 153 153 SER CB C 13 64.50 0.2 . 1 . . . . 153 SER CB . 5658 1 1011 . 1 1 153 153 SER N N 15 116.5 0.1 . 1 . . . . 153 SER N . 5658 1 1012 . 1 1 154 154 THR H H 1 8.57 0.02 . 1 . . . . 154 THR H . 5658 1 1013 . 1 1 154 154 THR C C 13 173.0 0.2 . 1 . . . . 154 THR C . 5658 1 1014 . 1 1 154 154 THR CA C 13 62.14 0.2 . 1 . . . . 154 THR CA . 5658 1 1015 . 1 1 154 154 THR CB C 13 69.16 0.2 . 1 . . . . 154 THR CB . 5658 1 1016 . 1 1 154 154 THR N N 15 116.9 0.1 . 1 . . . . 154 THR N . 5658 1 1017 . 1 1 155 155 VAL H H 1 9.16 0.02 . 1 . . . . 155 VAL H . 5658 1 1018 . 1 1 155 155 VAL HG11 H 1 0.87 . . 2 . . . . 155 VAL HG11 . 5658 1 1019 . 1 1 155 155 VAL HG12 H 1 0.87 . . 2 . . . . 155 VAL HG12 . 5658 1 1020 . 1 1 155 155 VAL HG13 H 1 0.87 . . 2 . . . . 155 VAL HG13 . 5658 1 1021 . 1 1 155 155 VAL HG21 H 1 0.72 . . 2 . . . . 155 VAL HG21 . 5658 1 1022 . 1 1 155 155 VAL HG22 H 1 0.72 . . 2 . . . . 155 VAL HG22 . 5658 1 1023 . 1 1 155 155 VAL HG23 H 1 0.72 . . 2 . . . . 155 VAL HG23 . 5658 1 1024 . 1 1 155 155 VAL C C 13 174.1 0.2 . 1 . . . . 155 VAL C . 5658 1 1025 . 1 1 155 155 VAL CA C 13 59.72 0.2 . 1 . . . . 155 VAL CA . 5658 1 1026 . 1 1 155 155 VAL CB C 13 32.93 0.2 . 1 . . . . 155 VAL CB . 5658 1 1027 . 1 1 155 155 VAL CG1 C 13 23.93 . . 2 . . . . 155 VAL CG1 . 5658 1 1028 . 1 1 155 155 VAL CG2 C 13 23.02 . . 2 . . . . 155 VAL CG2 . 5658 1 1029 . 1 1 155 155 VAL N N 15 127.9 0.1 . 1 . . . . 155 VAL N . 5658 1 1030 . 1 1 156 156 PHE H H 1 9.17 0.02 . 1 . . . . 156 PHE H . 5658 1 1031 . 1 1 156 156 PHE C C 13 175.1 0.2 . 1 . . . . 156 PHE C . 5658 1 1032 . 1 1 156 156 PHE CA C 13 56.21 0.2 . 1 . . . . 156 PHE CA . 5658 1 1033 . 1 1 156 156 PHE CB C 13 39.07 0.2 . 1 . . . . 156 PHE CB . 5658 1 1034 . 1 1 156 156 PHE N N 15 124.6 0.1 . 1 . . . . 156 PHE N . 5658 1 1035 . 1 1 157 157 MET H H 1 8.11 0.02 . 1 . . . . 157 MET H . 5658 1 1036 . 1 1 157 157 MET C C 13 174.0 0.2 . 1 . . . . 157 MET C . 5658 1 1037 . 1 1 157 157 MET CA C 13 55.35 0.2 . 1 . . . . 157 MET CA . 5658 1 1038 . 1 1 157 157 MET CB C 13 34.01 0.2 . 1 . . . . 157 MET CB . 5658 1 1039 . 1 1 157 157 MET N N 15 119.5 0.1 . 1 . . . . 157 MET N . 5658 1 1040 . 1 1 158 158 ASN H H 1 8.50 0.02 . 1 . . . . 158 ASN H . 5658 1 1041 . 1 1 158 158 ASN HD21 H 1 5.66 . . 2 . . . . 158 ASN HD21 . 5658 1 1042 . 1 1 158 158 ASN HD22 H 1 6.54 . . 2 . . . . 158 ASN HD22 . 5658 1 1043 . 1 1 158 158 ASN C C 13 172.5 0.2 . 1 . . . . 158 ASN C . 5658 1 1044 . 1 1 158 158 ASN CA C 13 51.59 0.2 . 1 . . . . 158 ASN CA . 5658 1 1045 . 1 1 158 158 ASN CB C 13 38.95 0.2 . 1 . . . . 158 ASN CB . 5658 1 1046 . 1 1 158 158 ASN N N 15 122.8 0.1 . 1 . . . . 158 ASN N . 5658 1 1047 . 1 1 158 158 ASN ND2 N 15 115.3 . . 1 . . . . 158 ASN ND2 . 5658 1 1048 . 1 1 159 159 LEU H H 1 8.65 0.02 . 1 . . . . 159 LEU H . 5658 1 1049 . 1 1 159 159 LEU HD11 H 1 0.88 . . 2 . . . . 159 LEU HD11 . 5658 1 1050 . 1 1 159 159 LEU HD12 H 1 0.88 . . 2 . . . . 159 LEU HD12 . 5658 1 1051 . 1 1 159 159 LEU HD13 H 1 0.88 . . 2 . . . . 159 LEU HD13 . 5658 1 1052 . 1 1 159 159 LEU HD21 H 1 0.92 . . 2 . . . . 159 LEU HD21 . 5658 1 1053 . 1 1 159 159 LEU HD22 H 1 0.92 . . 2 . . . . 159 LEU HD22 . 5658 1 1054 . 1 1 159 159 LEU HD23 H 1 0.92 . . 2 . . . . 159 LEU HD23 . 5658 1 1055 . 1 1 159 159 LEU C C 13 177.2 0.2 . 1 . . . . 159 LEU C . 5658 1 1056 . 1 1 159 159 LEU CA C 13 54.10 0.2 . 1 . . . . 159 LEU CA . 5658 1 1057 . 1 1 159 159 LEU CB C 13 41.25 0.2 . 1 . . . . 159 LEU CB . 5658 1 1058 . 1 1 159 159 LEU CD1 C 13 25.54 . . 2 . . . . 159 LEU CD1 . 5658 1 1059 . 1 1 159 159 LEU CD2 C 13 23.57 . . 2 . . . . 159 LEU CD2 . 5658 1 1060 . 1 1 159 159 LEU N N 15 122.0 0.1 . 1 . . . . 159 LEU N . 5658 1 1061 . 1 1 160 160 ARG H H 1 8.43 0.02 . 1 . . . . 160 ARG H . 5658 1 1062 . 1 1 160 160 ARG C C 13 175.6 0.2 . 1 . . . . 160 ARG C . 5658 1 1063 . 1 1 160 160 ARG CA C 13 55.75 0.2 . 1 . . . . 160 ARG CA . 5658 1 1064 . 1 1 160 160 ARG CB C 13 29.99 0.2 . 1 . . . . 160 ARG CB . 5658 1 1065 . 1 1 160 160 ARG N N 15 121.4 0.1 . 1 . . . . 160 ARG N . 5658 1 1066 . 1 1 161 161 LEU H H 1 8.50 0.02 . 1 . . . . 161 LEU H . 5658 1 1067 . 1 1 161 161 LEU HD11 H 1 0.90 . . 2 . . . . 161 LEU HD11 . 5658 1 1068 . 1 1 161 161 LEU HD12 H 1 0.90 . . 2 . . . . 161 LEU HD12 . 5658 1 1069 . 1 1 161 161 LEU HD13 H 1 0.90 . . 2 . . . . 161 LEU HD13 . 5658 1 1070 . 1 1 161 161 LEU HD21 H 1 0.95 . . 2 . . . . 161 LEU HD21 . 5658 1 1071 . 1 1 161 161 LEU HD22 H 1 0.95 . . 2 . . . . 161 LEU HD22 . 5658 1 1072 . 1 1 161 161 LEU HD23 H 1 0.95 . . 2 . . . . 161 LEU HD23 . 5658 1 1073 . 1 1 161 161 LEU C C 13 177.2 0.2 . 1 . . . . 161 LEU C . 5658 1 1074 . 1 1 161 161 LEU CA C 13 54.35 0.2 . 1 . . . . 161 LEU CA . 5658 1 1075 . 1 1 161 161 LEU CB C 13 41.19 0.2 . 1 . . . . 161 LEU CB . 5658 1 1076 . 1 1 161 161 LEU CD1 C 13 23.79 . . 2 . . . . 161 LEU CD1 . 5658 1 1077 . 1 1 161 161 LEU CD2 C 13 25.34 . . 2 . . . . 161 LEU CD2 . 5658 1 1078 . 1 1 161 161 LEU N N 15 123.2 0.1 . 1 . . . . 161 LEU N . 5658 1 1079 . 1 1 162 162 ARG H H 1 8.48 0.02 . 1 . . . . 162 ARG H . 5658 1 1080 . 1 1 162 162 ARG C C 13 176.6 0.2 . 1 . . . . 162 ARG C . 5658 1 1081 . 1 1 162 162 ARG CA C 13 55.71 0.2 . 1 . . . . 162 ARG CA . 5658 1 1082 . 1 1 162 162 ARG CB C 13 29.70 0.2 . 1 . . . . 162 ARG CB . 5658 1 1083 . 1 1 162 162 ARG N N 15 122.2 0.1 . 1 . . . . 162 ARG N . 5658 1 1084 . 1 1 163 163 GLY H H 1 8.51 0.02 . 1 . . . . 163 GLY H . 5658 1 1085 . 1 1 163 163 GLY C C 13 173.5 0.2 . 1 . . . . 163 GLY C . 5658 1 1086 . 1 1 163 163 GLY CA C 13 44.66 0.2 . 1 . . . . 163 GLY CA . 5658 1 1087 . 1 1 163 163 GLY N N 15 110.9 0.1 . 1 . . . . 163 GLY N . 5658 1 1088 . 1 1 164 164 GLY H H 1 7.98 0.02 . 1 . . . . 164 GLY H . 5658 1 1089 . 1 1 164 164 GLY C C 13 179.0 0.2 . 1 . . . . 164 GLY C . 5658 1 1090 . 1 1 164 164 GLY CA C 13 45.43 0.2 . 1 . . . . 164 GLY CA . 5658 1 1091 . 1 1 164 164 GLY N N 15 115.0 0.1 . 1 . . . . 164 GLY N . 5658 1 stop_ save_