data_15813 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15813 _Entry.Title ; 1H, 13C and 15N resonance assignments of the ribosome binding domain of E. coli Trigger Factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-21 _Entry.Accession_date 2008-06-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 'Shang-Te Danny' Hsu . . . 15813 2 Lisa Cabrita . D. . 15813 3 John Christodoulou . . . 15813 4 Christopher Dobson . M. . 15813 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15813 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 469 15813 '15N chemical shifts' 115 15813 '1H chemical shifts' 781 15813 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 3 . . 2009-08-21 2008-06-21 update BMRB 'add PubMed ID' 15813 2 . . 2009-05-22 2008-06-21 update BMRB 'complete entry citation' 15813 1 . . 2008-11-25 2008-06-21 original author 'original release' 15813 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15814 'domain 5 of Dictyostelium ABP-120' 15813 stop_ save_ ############### # Citations # ############### save_Entry _Citation.Sf_category citations _Citation.Sf_framecode Entry _Citation.Entry_ID 15813 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636937 _Citation.Full_citation . _Citation.Title '1H, 15N and 13C assignments of the dimeric ribosome binding domain of trigger factor from Escherichia coli' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 3 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 17 _Citation.Page_last 20 _Citation.Year 2009 _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 Shang-Te Hsu . D. . 15813 1 2 Christopher Dobson . M. . 15813 1 stop_ save_ save_1P9Y _Citation.Sf_category citations _Citation.Sf_framecode 1P9Y _Citation.Entry_ID 15813 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14656439 _Citation.Full_citation . _Citation.Title 'Chaperone binding at the ribosomal exit tunnel' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 12 _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 1547 _Citation.Page_last 1556 _Citation.Year 2003 _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 Ole Kristensen . . . 15813 2 2 Michael Gajhede . . . 15813 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15813 _Assembly.ID 1 _Assembly.Name 'E. coli Trigger Factor (TF) Ribosome Binding Domain (RBD)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 12939 _Assembly.Enzyme_commission_number . _Assembly.Details Homodimer _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 'E. coli TF-RBD, chain 1' 1 $E._coli_TF-RBD A . yes native no no . . . 15813 1 2 'E. coli TF-RBD, chain 2' 1 $E._coli_TF-RBD A . yes native no no . . . 15813 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1p9y . . . . . . 15813 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Molecular chaperone' 15813 1 'Prolyl isomerase' 15813 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_E._coli_TF-RBD _Entity.Sf_category entity _Entity.Sf_framecode E._coli_TF-RBD _Entity.Entry_ID 15813 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name E._coli_TF-RBD _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 ; MQVSVETTQGLGRRVTITIA ADSIETAVKSELVNVAKKVR IDGFRKGKVPMNIVAQRYGA SVRQDVLGDLMSRNFIDAII KEKINPAGAPTYVPGEYKLG EDFTYSVEFEVYPEVEL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1OMS . "Structure Determination By Mad: E.Coli Trigger Factor Binding At The Ribosomal Exit Tunnel" . . . . . 99.15 121 98.28 98.28 3.48e-74 . . . . 15813 1 2 no PDB 1P9Y . "Ribosome Binding Of E. Coli Trigger Factor Mutant F44l" . . . . . 100.00 121 99.15 99.15 1.85e-76 . . . . 15813 1 3 no PDB 1W26 . "Trigger Factor In Complex With The Ribosome Forms A Molecular Cradle For Nascent Proteins" . . . . . 99.15 432 98.28 98.28 4.37e-71 . . . . 15813 1 4 no PDB 1W2B . "Trigger Factor Ribosome Binding Domain In Complex With 50s" . . . . . 100.00 144 100.00 100.00 6.06e-77 . . . . 15813 1 5 no PDB 2MLX . "Nmr Structure Of E. Coli Trigger Factor In Complex With Unfolded Phoa220-310" . . . . . 100.00 443 100.00 100.00 2.89e-74 . . . . 15813 1 6 no PDB 2MLY . "Nmr Structure Of E. Coli Trigger Factor In Complex With Unfolded Phoa1-150" . . . . . 100.00 443 100.00 100.00 2.89e-74 . . . . 15813 1 7 no PDB 2MLZ . "Nmr Structure Of E. Coli Trigger Factor In Complex With Unfolded Phoa365-471" . . . . . 100.00 443 100.00 100.00 2.89e-74 . . . . 15813 1 8 no PDB 2VRH . "Structure Of The E. Coli Trigger Factor Bound To A Translating Ribosome" . . . . . 99.15 432 98.28 98.28 4.37e-71 . . . . 15813 1 9 no DBJ BAB33913 . "trigger factor [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 432 100.00 100.00 3.74e-74 . . . . 15813 1 10 no DBJ BAD98926 . "trigger factor tag [Expression vector pColdTF]" . . . . . 100.00 489 100.00 100.00 1.37e-73 . . . . 15813 1 11 no DBJ BAE76216 . "peptidyl-prolyl cis/trans isomerase [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 432 100.00 100.00 3.74e-74 . . . . 15813 1 12 no DBJ BAG75986 . "trigger factor [Escherichia coli SE11]" . . . . . 100.00 432 100.00 100.00 3.99e-74 . . . . 15813 1 13 no DBJ BAI23810 . "peptidyl-prolyl cis/trans isomerase [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 432 99.15 99.15 1.24e-73 . . . . 15813 1 14 no EMBL CAA35634 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 145 100.00 100.00 6.26e-77 . . . . 15813 1 15 no EMBL CAD08906 . "trigger factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 432 97.44 99.15 1.38e-72 . . . . 15813 1 16 no EMBL CAP74970 . "Trigger factor [Escherichia coli LF82]" . . . . . 100.00 432 100.00 100.00 3.94e-74 . . . . 15813 1 17 no EMBL CAQ30908 . "trigger factor; a molecular chaperone involved in cell division [Escherichia coli BL21(DE3)]" . . . . . 100.00 432 100.00 100.00 3.74e-74 . . . . 15813 1 18 no EMBL CAQ97312 . "peptidyl-prolyl cis/trans isomerase (trigger factor) [Escherichia coli IAI1]" . . . . . 100.00 432 100.00 100.00 3.74e-74 . . . . 15813 1 19 no GB AAA62791 . "trigger factor [Escherichia coli]" . . . . . 100.00 432 100.00 100.00 3.70e-74 . . . . 15813 1 20 no GB AAB40192 . "trigger factor [Escherichia coli]" . . . . . 100.00 432 100.00 100.00 3.74e-74 . . . . 15813 1 21 no GB AAC73539 . "peptidyl-prolyl cis/trans isomerase (trigger factor) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 432 100.00 100.00 3.74e-74 . . . . 15813 1 22 no GB AAG54786 . "trigger factor; a molecular chaperone involved in cell division [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 432 100.00 100.00 3.74e-74 . . . . 15813 1 23 no GB AAL19402 . "peptidyl-prolyl cis/trans isomerase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 432 97.44 99.15 1.38e-72 . . . . 15813 1 24 no PIR AB0558 . "trigger factor [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 432 97.44 99.15 1.38e-72 . . . . 15813 1 25 no REF NP_308517 . "trigger factor [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 432 100.00 100.00 3.74e-74 . . . . 15813 1 26 no REF NP_414970 . "peptidyl-prolyl cis/trans isomerase (trigger factor) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 432 100.00 100.00 3.74e-74 . . . . 15813 1 27 no REF NP_455044 . "trigger factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 432 97.44 99.15 1.38e-72 . . . . 15813 1 28 no REF NP_459443 . "trigger factor [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 432 97.44 99.15 1.38e-72 . . . . 15813 1 29 no REF NP_706330 . "trigger factor [Shigella flexneri 2a str. 301]" . . . . . 100.00 432 100.00 100.00 3.74e-74 . . . . 15813 1 30 no SP A1A8A5 . "RecName: Full=Trigger factor; Short=TF; AltName: Full=PPIase" . . . . . 100.00 429 100.00 100.00 4.78e-74 . . . . 15813 1 31 no SP A7ZIJ4 . "RecName: Full=Trigger factor; Short=TF; AltName: Full=PPIase" . . . . . 100.00 432 100.00 100.00 3.99e-74 . . . . 15813 1 32 no SP A7ZX94 . "RecName: Full=Trigger factor; Short=TF; AltName: Full=PPIase" . . . . . 100.00 432 100.00 100.00 3.74e-74 . . . . 15813 1 33 no SP A9MM24 . "RecName: Full=Trigger factor; Short=TF; AltName: Full=PPIase" . . . . . 100.00 432 97.44 99.15 1.59e-72 . . . . 15813 1 34 no SP A9MWX9 . "RecName: Full=Trigger factor; Short=TF; AltName: Full=PPIase" . . . . . 100.00 432 97.44 99.15 1.52e-72 . . . . 15813 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15813 1 2 . GLN . 15813 1 3 . VAL . 15813 1 4 . SER . 15813 1 5 . VAL . 15813 1 6 . GLU . 15813 1 7 . THR . 15813 1 8 . THR . 15813 1 9 . GLN . 15813 1 10 . GLY . 15813 1 11 . LEU . 15813 1 12 . GLY . 15813 1 13 . ARG . 15813 1 14 . ARG . 15813 1 15 . VAL . 15813 1 16 . THR . 15813 1 17 . ILE . 15813 1 18 . THR . 15813 1 19 . ILE . 15813 1 20 . ALA . 15813 1 21 . ALA . 15813 1 22 . ASP . 15813 1 23 . SER . 15813 1 24 . ILE . 15813 1 25 . GLU . 15813 1 26 . THR . 15813 1 27 . ALA . 15813 1 28 . VAL . 15813 1 29 . LYS . 15813 1 30 . SER . 15813 1 31 . GLU . 15813 1 32 . LEU . 15813 1 33 . VAL . 15813 1 34 . ASN . 15813 1 35 . VAL . 15813 1 36 . ALA . 15813 1 37 . LYS . 15813 1 38 . LYS . 15813 1 39 . VAL . 15813 1 40 . ARG . 15813 1 41 . ILE . 15813 1 42 . ASP . 15813 1 43 . GLY . 15813 1 44 . PHE . 15813 1 45 . ARG . 15813 1 46 . LYS . 15813 1 47 . GLY . 15813 1 48 . LYS . 15813 1 49 . VAL . 15813 1 50 . PRO . 15813 1 51 . MET . 15813 1 52 . ASN . 15813 1 53 . ILE . 15813 1 54 . VAL . 15813 1 55 . ALA . 15813 1 56 . GLN . 15813 1 57 . ARG . 15813 1 58 . TYR . 15813 1 59 . GLY . 15813 1 60 . ALA . 15813 1 61 . SER . 15813 1 62 . VAL . 15813 1 63 . ARG . 15813 1 64 . GLN . 15813 1 65 . ASP . 15813 1 66 . VAL . 15813 1 67 . LEU . 15813 1 68 . GLY . 15813 1 69 . ASP . 15813 1 70 . LEU . 15813 1 71 . MET . 15813 1 72 . SER . 15813 1 73 . ARG . 15813 1 74 . ASN . 15813 1 75 . PHE . 15813 1 76 . ILE . 15813 1 77 . ASP . 15813 1 78 . ALA . 15813 1 79 . ILE . 15813 1 80 . ILE . 15813 1 81 . LYS . 15813 1 82 . GLU . 15813 1 83 . LYS . 15813 1 84 . ILE . 15813 1 85 . ASN . 15813 1 86 . PRO . 15813 1 87 . ALA . 15813 1 88 . GLY . 15813 1 89 . ALA . 15813 1 90 . PRO . 15813 1 91 . THR . 15813 1 92 . TYR . 15813 1 93 . VAL . 15813 1 94 . PRO . 15813 1 95 . GLY . 15813 1 96 . GLU . 15813 1 97 . TYR . 15813 1 98 . LYS . 15813 1 99 . LEU . 15813 1 100 . GLY . 15813 1 101 . GLU . 15813 1 102 . ASP . 15813 1 103 . PHE . 15813 1 104 . THR . 15813 1 105 . TYR . 15813 1 106 . SER . 15813 1 107 . VAL . 15813 1 108 . GLU . 15813 1 109 . PHE . 15813 1 110 . GLU . 15813 1 111 . VAL . 15813 1 112 . TYR . 15813 1 113 . PRO . 15813 1 114 . GLU . 15813 1 115 . VAL . 15813 1 116 . GLU . 15813 1 117 . LEU . 15813 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15813 1 . GLN 2 2 15813 1 . VAL 3 3 15813 1 . SER 4 4 15813 1 . VAL 5 5 15813 1 . GLU 6 6 15813 1 . THR 7 7 15813 1 . THR 8 8 15813 1 . GLN 9 9 15813 1 . GLY 10 10 15813 1 . LEU 11 11 15813 1 . GLY 12 12 15813 1 . ARG 13 13 15813 1 . ARG 14 14 15813 1 . VAL 15 15 15813 1 . THR 16 16 15813 1 . ILE 17 17 15813 1 . THR 18 18 15813 1 . ILE 19 19 15813 1 . ALA 20 20 15813 1 . ALA 21 21 15813 1 . ASP 22 22 15813 1 . SER 23 23 15813 1 . ILE 24 24 15813 1 . GLU 25 25 15813 1 . THR 26 26 15813 1 . ALA 27 27 15813 1 . VAL 28 28 15813 1 . LYS 29 29 15813 1 . SER 30 30 15813 1 . GLU 31 31 15813 1 . LEU 32 32 15813 1 . VAL 33 33 15813 1 . ASN 34 34 15813 1 . VAL 35 35 15813 1 . ALA 36 36 15813 1 . LYS 37 37 15813 1 . LYS 38 38 15813 1 . VAL 39 39 15813 1 . ARG 40 40 15813 1 . ILE 41 41 15813 1 . ASP 42 42 15813 1 . GLY 43 43 15813 1 . PHE 44 44 15813 1 . ARG 45 45 15813 1 . LYS 46 46 15813 1 . GLY 47 47 15813 1 . LYS 48 48 15813 1 . VAL 49 49 15813 1 . PRO 50 50 15813 1 . MET 51 51 15813 1 . ASN 52 52 15813 1 . ILE 53 53 15813 1 . VAL 54 54 15813 1 . ALA 55 55 15813 1 . GLN 56 56 15813 1 . ARG 57 57 15813 1 . TYR 58 58 15813 1 . GLY 59 59 15813 1 . ALA 60 60 15813 1 . SER 61 61 15813 1 . VAL 62 62 15813 1 . ARG 63 63 15813 1 . GLN 64 64 15813 1 . ASP 65 65 15813 1 . VAL 66 66 15813 1 . LEU 67 67 15813 1 . GLY 68 68 15813 1 . ASP 69 69 15813 1 . LEU 70 70 15813 1 . MET 71 71 15813 1 . SER 72 72 15813 1 . ARG 73 73 15813 1 . ASN 74 74 15813 1 . PHE 75 75 15813 1 . ILE 76 76 15813 1 . ASP 77 77 15813 1 . ALA 78 78 15813 1 . ILE 79 79 15813 1 . ILE 80 80 15813 1 . LYS 81 81 15813 1 . GLU 82 82 15813 1 . LYS 83 83 15813 1 . ILE 84 84 15813 1 . ASN 85 85 15813 1 . PRO 86 86 15813 1 . ALA 87 87 15813 1 . GLY 88 88 15813 1 . ALA 89 89 15813 1 . PRO 90 90 15813 1 . THR 91 91 15813 1 . TYR 92 92 15813 1 . VAL 93 93 15813 1 . PRO 94 94 15813 1 . GLY 95 95 15813 1 . GLU 96 96 15813 1 . TYR 97 97 15813 1 . LYS 98 98 15813 1 . LEU 99 99 15813 1 . GLY 100 100 15813 1 . GLU 101 101 15813 1 . ASP 102 102 15813 1 . PHE 103 103 15813 1 . THR 104 104 15813 1 . TYR 105 105 15813 1 . SER 106 106 15813 1 . VAL 107 107 15813 1 . GLU 108 108 15813 1 . PHE 109 109 15813 1 . GLU 110 110 15813 1 . VAL 111 111 15813 1 . TYR 112 112 15813 1 . PRO 113 113 15813 1 . GLU 114 114 15813 1 . VAL 115 115 15813 1 . GLU 116 116 15813 1 . LEU 117 117 15813 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 15813 _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 $E._coli_TF-RBD . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15813 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 15813 _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 $E._coli_TF-RBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . N/A . . . . . . 15813 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_TF-RBD _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_TF-RBD _Sample.Entry_ID 15813 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'TF-RBD 1-117 in 10mM Tris, 200mM (NH4)2.SO4, pH 7.35, 298K' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _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 'E. coli TF-RBD' '[U-98% 13C; U-98% 15N]' . . 1 $E._coli_TF-RBD . . 0.2 . . mM . . . . 15813 1 2 Tris 'natural abundance' . . . . . . 10 . . uM . . . . 15813 1 3 (NH4)2.SO4 . . . . . . . 200 . . mM . . . . 15813 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15813 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15813 1 stop_ save_ ####################### # Sample conditions # ####################### save_298K _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 298K _Sample_condition_list.Entry_ID 15813 _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 'ionic strength' 0.2 . M 15813 1 pH 7.35 . pH 15813 1 pressure 1 . atm 15813 1 temperature 298 . K 15813 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15813 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15813 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15813 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15813 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15813 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15813 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15813 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Cryo TXI' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15813 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Cryo TCI' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15813 _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 spectrometer_1 Bruker Avance . 700 'Cryo TXI' . . 15813 1 2 spectrometer_2 Bruker Avance . 500 'Cryo TCI' . . 15813 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 15813 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $13C_15N_TF-RBD isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15813 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $13C_15N_TF-RBD isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15813 1 3 '3D HNCO' no . . . . . . . . . . 1 $13C_15N_TF-RBD isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15813 1 4 '3D HNCA' no . . . . . . . . . . 1 $13C_15N_TF-RBD isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15813 1 5 '3D HNCACB' no . . . . . . . . . . 1 $13C_15N_TF-RBD isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15813 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C_15N_TF-RBD isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15813 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $13C_15N_TF-RBD isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15813 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $13C_15N_TF-RBD isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15813 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $13C_15N_TF-RBD isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15813 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $13C_15N_TF-RBD isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15813 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $13C_15N_TF-RBD isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15813 1 12 '3D HCCH-COSY' no . . . . . . . . . . 1 $13C_15N_TF-RBD isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15813 1 13 '3D H(CCO)NH' no . . . . . . . . . . 1 $13C_15N_TF-RBD isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15813 1 14 '3D HNHA' no . . . . . . . . . . 1 $13C_15N_TF-RBD isotropic . . 1 $298K . . . . . . . . . . . . . . . . . . . . . 15813 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15813 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15813 1 H 1 water protons . . . . ppm 4.755 internal direct 1.000000000 . . . . . . . . . 15813 1 N 15 water protons . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15813 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15813 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $298K _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 15813 1 2 '2D 1H-13C HSQC' . . . 15813 1 3 '3D HNCO' . . . 15813 1 4 '3D HNCA' . . . 15813 1 5 '3D HNCACB' . . . 15813 1 6 '3D CBCA(CO)NH' . . . 15813 1 7 '3D HN(CO)CA' . . . 15813 1 8 '3D HBHA(CO)NH' . . . 15813 1 9 '3D 1H-15N NOESY' . . . 15813 1 11 '3D 1H-13C NOESY' . . . 15813 1 12 '3D HCCH-COSY' . . . 15813 1 13 '3D H(CCO)NH' . . . 15813 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 1.998 0.015 1 1 . . . . 1 MET HE1 . 15813 1 2 . 1 1 1 1 MET HE2 H 1 1.998 0.015 1 1 . . . . 1 MET HE2 . 15813 1 3 . 1 1 1 1 MET HE3 H 1 1.998 0.015 1 1 . . . . 1 MET HE3 . 15813 1 4 . 1 1 1 1 MET CE C 13 16.814 0.15 1 1 . . . . 1 MET CE . 15813 1 5 . 1 1 2 2 GLN HA H 1 4.623 0.015 1 1 . . . . 2 GLN HA . 15813 1 6 . 1 1 2 2 GLN HB2 H 1 2.095 0.015 1 2 . . . . 2 GLN HB2 . 15813 1 7 . 1 1 2 2 GLN HB3 H 1 1.959 0.015 1 2 . . . . 2 GLN HB3 . 15813 1 8 . 1 1 2 2 GLN HE21 H 1 7.450 0.001 2 2 . . . . 2 GLN HE21 . 15813 1 9 . 1 1 2 2 GLN HE22 H 1 6.792 . . . . . . . 2 GLN HE22 . 15813 1 10 . 1 1 2 2 GLN HG2 H 1 2.319 . . . . . . . 2 GLN HG2 . 15813 1 11 . 1 1 2 2 GLN HG3 H 1 2.064 . . . . . . . 2 GLN HG3 . 15813 1 12 . 1 1 2 2 GLN C C 13 174.800 0.15 1 1 . . . . 2 GLN C . 15813 1 13 . 1 1 2 2 GLN CA C 13 56.020 0.15 1 1 . . . . 2 GLN CA . 15813 1 14 . 1 1 2 2 GLN CB C 13 30.260 0.15 1 1 . . . . 2 GLN CB . 15813 1 15 . 1 1 2 2 GLN CD C 13 180.551 0.15 1 1 . . . . 2 GLN CD . 15813 1 16 . 1 1 2 2 GLN CG C 13 32.998 0.15 1 1 . . . . 2 GLN CG . 15813 1 17 . 1 1 2 2 GLN NE2 N 15 112.020 0.020 2 1 . . . . 2 GLN NE2 . 15813 1 18 . 1 1 3 3 VAL H H 1 8.249 0.002 3 1 . . . . 3 VAL H . 15813 1 19 . 1 1 3 3 VAL HA H 1 4.629 0.015 3 1 . . . . 3 VAL HA . 15813 1 20 . 1 1 3 3 VAL HB H 1 1.913 0.015 1 1 . . . . 3 VAL HB . 15813 1 21 . 1 1 3 3 VAL HG11 H 1 0.844 0.015 1 2 . . . . 3 VAL HG11 . 15813 1 22 . 1 1 3 3 VAL HG12 H 1 0.844 0.015 1 2 . . . . 3 VAL HG12 . 15813 1 23 . 1 1 3 3 VAL HG13 H 1 0.844 0.015 1 2 . . . . 3 VAL HG13 . 15813 1 24 . 1 1 3 3 VAL HG21 H 1 0.858 0.015 1 2 . . . . 3 VAL HG21 . 15813 1 25 . 1 1 3 3 VAL HG22 H 1 0.858 0.015 1 2 . . . . 3 VAL HG22 . 15813 1 26 . 1 1 3 3 VAL HG23 H 1 0.858 0.015 1 2 . . . . 3 VAL HG23 . 15813 1 27 . 1 1 3 3 VAL C C 13 175.282 0.15 1 1 . . . . 3 VAL C . 15813 1 28 . 1 1 3 3 VAL CA C 13 61.721 0.035 2 1 . . . . 3 VAL CA . 15813 1 29 . 1 1 3 3 VAL CB C 13 34.571 0.15 1 1 . . . . 3 VAL CB . 15813 1 30 . 1 1 3 3 VAL CG1 C 13 21.543 0.15 1 2 . . . . 3 VAL CG1 . 15813 1 31 . 1 1 3 3 VAL CG2 C 13 17.303 0.15 1 2 . . . . 3 VAL CG2 . 15813 1 32 . 1 1 3 3 VAL N N 15 122.662 0.003 3 1 . . . . 3 VAL N . 15813 1 33 . 1 1 4 4 SER H H 1 8.689 0.003 3 1 . . . . 4 SER H . 15813 1 34 . 1 1 4 4 SER HA H 1 4.782 0.006 2 1 . . . . 4 SER HA . 15813 1 35 . 1 1 4 4 SER HB2 H 1 3.732 0.015 1 2 . . . . 4 SER HB2 . 15813 1 36 . 1 1 4 4 SER HB3 H 1 3.732 0.015 1 2 . . . . 4 SER HB3 . 15813 1 37 . 1 1 4 4 SER C C 13 172.894 0.15 1 1 . . . . 4 SER C . 15813 1 38 . 1 1 4 4 SER CA C 13 57.294 0.15 1 1 . . . . 4 SER CA . 15813 1 39 . 1 1 4 4 SER CB C 13 65.119 0.15 1 1 . . . . 4 SER CB . 15813 1 40 . 1 1 4 4 SER N N 15 121.236 0.001 3 1 . . . . 4 SER N . 15813 1 41 . 1 1 5 5 VAL H H 1 8.785 0.003 3 1 . . . . 5 VAL H . 15813 1 42 . 1 1 5 5 VAL HA H 1 4.601 0.002 3 1 . . . . 5 VAL HA . 15813 1 43 . 1 1 5 5 VAL HB H 1 2.001 0.015 1 1 . . . . 5 VAL HB . 15813 1 44 . 1 1 5 5 VAL HG11 H 1 0.771 0.015 1 2 . . . . 5 VAL HG11 . 15813 1 45 . 1 1 5 5 VAL HG12 H 1 0.771 0.015 1 2 . . . . 5 VAL HG12 . 15813 1 46 . 1 1 5 5 VAL HG13 H 1 0.771 0.015 1 2 . . . . 5 VAL HG13 . 15813 1 47 . 1 1 5 5 VAL HG21 H 1 1.056 0.015 1 2 . . . . 5 VAL HG21 . 15813 1 48 . 1 1 5 5 VAL HG22 H 1 1.056 0.015 1 2 . . . . 5 VAL HG22 . 15813 1 49 . 1 1 5 5 VAL HG23 H 1 1.056 0.015 1 2 . . . . 5 VAL HG23 . 15813 1 50 . 1 1 5 5 VAL C C 13 174.984 . . . . . . . 5 VAL C . 15813 1 51 . 1 1 5 5 VAL CA C 13 62.201 0.022 2 1 . . . . 5 VAL CA . 15813 1 52 . 1 1 5 5 VAL CB C 13 33.244 0.15 1 1 . . . . 5 VAL CB . 15813 1 53 . 1 1 5 5 VAL CG1 C 13 20.173 0.15 1 2 . . . . 5 VAL CG1 . 15813 1 54 . 1 1 5 5 VAL CG2 C 13 21.484 0.15 1 2 . . . . 5 VAL CG2 . 15813 1 55 . 1 1 5 5 VAL N N 15 125.501 0.003 3 1 . . . . 5 VAL N . 15813 1 56 . 1 1 6 6 GLU H H 1 8.890 0.002 3 1 . . . . 6 GLU H . 15813 1 57 . 1 1 6 6 GLU HA H 1 4.764 0.009 2 1 . . . . 6 GLU HA . 15813 1 58 . 1 1 6 6 GLU HB2 H 1 1.926 0.015 1 2 . . . . 6 GLU HB2 . 15813 1 59 . 1 1 6 6 GLU HB3 H 1 1.926 . . . . . . . 6 GLU HB3 . 15813 1 60 . 1 1 6 6 GLU HG2 H 1 2.146 . . . . . . . 6 GLU HG2 . 15813 1 61 . 1 1 6 6 GLU HG3 H 1 2.146 . . . . . . . 6 GLU HG3 . 15813 1 62 . 1 1 6 6 GLU C C 13 175.236 0.15 1 1 . . . . 6 GLU C . 15813 1 63 . 1 1 6 6 GLU CA C 13 54.496 0.15 1 1 . . . . 6 GLU CA . 15813 1 64 . 1 1 6 6 GLU CB C 13 33.600 0.15 1 1 . . . . 6 GLU CB . 15813 1 65 . 1 1 6 6 GLU CG C 13 35.908 0.15 1 1 . . . . 6 GLU CG . 15813 1 66 . 1 1 6 6 GLU N N 15 126.119 0.005 3 1 . . . . 6 GLU N . 15813 1 67 . 1 1 7 7 THR H H 1 8.703 0.003 3 1 . . . . 7 THR H . 15813 1 68 . 1 1 7 7 THR HA H 1 4.403 0.006 2 1 . . . . 7 THR HA . 15813 1 69 . 1 1 7 7 THR HB H 1 4.024 0.001 2 1 . . . . 7 THR HB . 15813 1 70 . 1 1 7 7 THR HG21 H 1 1.067 0.002 2 1 . . . . 7 THR HG21 . 15813 1 71 . 1 1 7 7 THR HG22 H 1 1.067 0.002 2 1 . . . . 7 THR HG22 . 15813 1 72 . 1 1 7 7 THR HG23 H 1 1.067 0.002 2 1 . . . . 7 THR HG23 . 15813 1 73 . 1 1 7 7 THR C C 13 174.531 0.15 1 1 . . . . 7 THR C . 15813 1 74 . 1 1 7 7 THR CA C 13 62.737 0.15 1 1 . . . . 7 THR CA . 15813 1 75 . 1 1 7 7 THR CB C 13 69.810 0.085 2 1 . . . . 7 THR CB . 15813 1 76 . 1 1 7 7 THR CG2 C 13 21.040 0.073 2 1 . . . . 7 THR CG2 . 15813 1 77 . 1 1 7 7 THR N N 15 118.419 0.001 3 1 . . . . 7 THR N . 15813 1 78 . 1 1 8 8 THR H H 1 7.683 0.003 3 1 . . . . 8 THR H . 15813 1 79 . 1 1 8 8 THR HA H 1 4.271 0.006 2 1 . . . . 8 THR HA . 15813 1 80 . 1 1 8 8 THR HB H 1 4.224 0.015 1 1 . . . . 8 THR HB . 15813 1 81 . 1 1 8 8 THR HG21 H 1 0.829 0.015 2 1 . . . . 8 THR HG21 . 15813 1 82 . 1 1 8 8 THR HG22 H 1 0.829 0.015 2 1 . . . . 8 THR HG22 . 15813 1 83 . 1 1 8 8 THR HG23 H 1 0.829 0.015 2 1 . . . . 8 THR HG23 . 15813 1 84 . 1 1 8 8 THR C C 13 173.727 0.15 1 1 . . . . 8 THR C . 15813 1 85 . 1 1 8 8 THR CA C 13 60.375 0.15 1 1 . . . . 8 THR CA . 15813 1 86 . 1 1 8 8 THR CB C 13 67.244 0.118 2 1 . . . . 8 THR CB . 15813 1 87 . 1 1 8 8 THR CG2 C 13 22.149 0.024 2 1 . . . . 8 THR CG2 . 15813 1 88 . 1 1 8 8 THR N N 15 117.522 0.002 3 1 . . . . 8 THR N . 15813 1 89 . 1 1 9 9 GLN H H 1 8.210 0.003 3 1 . . . . 9 GLN H . 15813 1 90 . 1 1 9 9 GLN HA H 1 4.367 0.014 2 1 . . . . 9 GLN HA . 15813 1 91 . 1 1 9 9 GLN HB2 H 1 2.294 0.015 1 2 . . . . 9 GLN HB2 . 15813 1 92 . 1 1 9 9 GLN HB3 H 1 1.951 0.015 1 2 . . . . 9 GLN HB3 . 15813 1 93 . 1 1 9 9 GLN HE21 H 1 7.467 0.002 2 2 . . . . 9 GLN HE21 . 15813 1 94 . 1 1 9 9 GLN HE22 H 1 6.788 0.003 4 2 . . . . 9 GLN HE22 . 15813 1 95 . 1 1 9 9 GLN HG2 H 1 2.268 . . . . . . . 9 GLN HG2 . 15813 1 96 . 1 1 9 9 GLN HG3 H 1 2.268 . . . . . . . 9 GLN HG3 . 15813 1 97 . 1 1 9 9 GLN C C 13 176.363 0.15 1 1 . . . . 9 GLN C . 15813 1 98 . 1 1 9 9 GLN CA C 13 55.016 0.15 1 1 . . . . 9 GLN CA . 15813 1 99 . 1 1 9 9 GLN CB C 13 30.624 0.071 2 1 . . . . 9 GLN CB . 15813 1 100 . 1 1 9 9 GLN CD C 13 180.526 0.15 1 1 . . . . 9 GLN CD . 15813 1 101 . 1 1 9 9 GLN CG C 13 33.524 0.15 1 1 . . . . 9 GLN CG . 15813 1 102 . 1 1 9 9 GLN N N 15 119.504 0.004 3 1 . . . . 9 GLN N . 15813 1 103 . 1 1 9 9 GLN NE2 N 15 112.083 0.028 4 1 . . . . 9 GLN NE2 . 15813 1 104 . 1 1 10 10 GLY HA2 H 1 3.892 0.015 1 2 . . . . 10 GLY HA2 . 15813 1 105 . 1 1 10 10 GLY HA3 H 1 3.693 0.015 1 2 . . . . 10 GLY HA3 . 15813 1 106 . 1 1 10 10 GLY C C 13 175.200 0.15 1 1 . . . . 10 GLY C . 15813 1 107 . 1 1 10 10 GLY CA C 13 47.460 0.15 1 1 . . . . 10 GLY CA . 15813 1 108 . 1 1 11 11 LEU H H 1 8.974 0.002 3 1 . . . . 11 LEU H . 15813 1 109 . 1 1 11 11 LEU HA H 1 4.176 0.015 1 1 . . . . 11 LEU HA . 15813 1 110 . 1 1 11 11 LEU HB2 H 1 2.041 0.015 1 2 . . . . 11 LEU HB2 . 15813 1 111 . 1 1 11 11 LEU HB3 H 1 1.584 0.015 1 2 . . . . 11 LEU HB3 . 15813 1 112 . 1 1 11 11 LEU HD11 H 1 0.741 0.015 1 2 . . . . 11 LEU HD11 . 15813 1 113 . 1 1 11 11 LEU HD12 H 1 0.741 0.015 1 2 . . . . 11 LEU HD12 . 15813 1 114 . 1 1 11 11 LEU HD13 H 1 0.741 0.015 1 2 . . . . 11 LEU HD13 . 15813 1 115 . 1 1 11 11 LEU HD21 H 1 0.942 0.015 1 2 . . . . 11 LEU HD21 . 15813 1 116 . 1 1 11 11 LEU HD22 H 1 0.942 0.015 1 2 . . . . 11 LEU HD22 . 15813 1 117 . 1 1 11 11 LEU HD23 H 1 0.942 0.015 1 2 . . . . 11 LEU HD23 . 15813 1 118 . 1 1 11 11 LEU HG H 1 1.536 0.004 2 1 . . . . 11 LEU HG . 15813 1 119 . 1 1 11 11 LEU C C 13 175.807 0.15 1 1 . . . . 11 LEU C . 15813 1 120 . 1 1 11 11 LEU CA C 13 55.127 0.15 1 1 . . . . 11 LEU CA . 15813 1 121 . 1 1 11 11 LEU CB C 13 40.240 0.15 1 1 . . . . 11 LEU CB . 15813 1 122 . 1 1 11 11 LEU CD1 C 13 22.320 0.15 1 2 . . . . 11 LEU CD1 . 15813 1 123 . 1 1 11 11 LEU CD2 C 13 25.679 0.15 1 2 . . . . 11 LEU CD2 . 15813 1 124 . 1 1 11 11 LEU CG C 13 34.80 . . . . . . . 11 LEU CG . 15813 1 125 . 1 1 11 11 LEU N N 15 129.129 0.005 3 1 . . . . 11 LEU N . 15813 1 126 . 1 1 12 12 GLY H H 1 8.512 0.001 3 1 . . . . 12 GLY H . 15813 1 127 . 1 1 12 12 GLY HA2 H 1 3.626 0.015 1 2 . . . . 12 GLY HA2 . 15813 1 128 . 1 1 12 12 GLY HA3 H 1 4.166 0.024 2 2 . . . . 12 GLY HA3 . 15813 1 129 . 1 1 12 12 GLY C C 13 175.547 0.15 1 1 . . . . 12 GLY C . 15813 1 130 . 1 1 12 12 GLY CA C 13 46.165 0.15 1 1 . . . . 12 GLY CA . 15813 1 131 . 1 1 12 12 GLY N N 15 106.896 0.001 3 1 . . . . 12 GLY N . 15813 1 132 . 1 1 13 13 ARG H H 1 8.886 0.004 3 1 . . . . 13 ARG H . 15813 1 133 . 1 1 13 13 ARG HA H 1 4.938 0.041 2 1 . . . . 13 ARG HA . 15813 1 134 . 1 1 13 13 ARG HB2 H 1 0.970 0.015 1 2 . . . . 13 ARG HB2 . 15813 1 135 . 1 1 13 13 ARG HB3 H 1 0.327 0.015 1 2 . . . . 13 ARG HB3 . 15813 1 136 . 1 1 13 13 ARG HD2 H 1 2.570 . . . . . . . 13 ARG HD2 . 15813 1 137 . 1 1 13 13 ARG HD3 H 1 2.570 . . . . . . . 13 ARG HD3 . 15813 1 138 . 1 1 13 13 ARG HG2 H 1 1.312 . . . . . . . 13 ARG HG2 . 15813 1 139 . 1 1 13 13 ARG HG3 H 1 0.926 . . . . . . . 13 ARG HG3 . 15813 1 140 . 1 1 13 13 ARG C C 13 174.697 0.15 1 1 . . . . 13 ARG C . 15813 1 141 . 1 1 13 13 ARG CA C 13 52.651 0.15 1 1 . . . . 13 ARG CA . 15813 1 142 . 1 1 13 13 ARG CB C 13 34.279 0.15 1 1 . . . . 13 ARG CB . 15813 1 143 . 1 1 13 13 ARG N N 15 124.448 0.007 3 1 . . . . 13 ARG N . 15813 1 144 . 1 1 14 14 ARG H H 1 8.658 0.003 3 1 . . . . 14 ARG H . 15813 1 145 . 1 1 14 14 ARG HA H 1 5.181 0.017 2 1 . . . . 14 ARG HA . 15813 1 146 . 1 1 14 14 ARG HB2 H 1 1.441 0.015 1 2 . . . . 14 ARG HB2 . 15813 1 147 . 1 1 14 14 ARG HB3 H 1 1.441 . . . . . . . 14 ARG HB3 . 15813 1 148 . 1 1 14 14 ARG HD2 H 1 3.033 . . . . . . . 14 ARG HD2 . 15813 1 149 . 1 1 14 14 ARG HD3 H 1 3.021 . . . . . . . 14 ARG HD3 . 15813 1 150 . 1 1 14 14 ARG HG2 H 1 1.399 . . . . . . . 14 ARG HG2 . 15813 1 151 . 1 1 14 14 ARG HG3 H 1 0.857 . . . . . . . 14 ARG HG3 . 15813 1 152 . 1 1 14 14 ARG C C 13 175.044 0.15 1 1 . . . . 14 ARG C . 15813 1 153 . 1 1 14 14 ARG CA C 13 54.858 0.15 1 1 . . . . 14 ARG CA . 15813 1 154 . 1 1 14 14 ARG CB C 13 33.895 0.15 1 1 . . . . 14 ARG CB . 15813 1 155 . 1 1 14 14 ARG CD C 13 41.66 . . . . . . . 14 ARG CD . 15813 1 156 . 1 1 14 14 ARG CG C 13 24.80 . . . . . . . 14 ARG CG . 15813 1 157 . 1 1 14 14 ARG N N 15 120.505 0.001 3 1 . . . . 14 ARG N . 15813 1 158 . 1 1 15 15 VAL H H 1 9.267 0.002 3 1 . . . . 15 VAL H . 15813 1 159 . 1 1 15 15 VAL HA H 1 5.241 0.033 3 1 . . . . 15 VAL HA . 15813 1 160 . 1 1 15 15 VAL HB H 1 2.114 0.015 2 1 . . . . 15 VAL HB . 15813 1 161 . 1 1 15 15 VAL HG11 H 1 1.158 0.015 1 2 . . . . 15 VAL HG11 . 15813 1 162 . 1 1 15 15 VAL HG12 H 1 1.158 0.015 1 2 . . . . 15 VAL HG12 . 15813 1 163 . 1 1 15 15 VAL HG13 H 1 1.158 0.015 1 2 . . . . 15 VAL HG13 . 15813 1 164 . 1 1 15 15 VAL HG21 H 1 1.054 0.015 1 2 . . . . 15 VAL HG21 . 15813 1 165 . 1 1 15 15 VAL HG22 H 1 1.054 0.015 1 2 . . . . 15 VAL HG22 . 15813 1 166 . 1 1 15 15 VAL HG23 H 1 1.054 0.015 1 2 . . . . 15 VAL HG23 . 15813 1 167 . 1 1 15 15 VAL C C 13 174.211 0.15 1 1 . . . . 15 VAL C . 15813 1 168 . 1 1 15 15 VAL CA C 13 59.732 0.009 2 1 . . . . 15 VAL CA . 15813 1 169 . 1 1 15 15 VAL CB C 13 34.828 0.188 2 1 . . . . 15 VAL CB . 15813 1 170 . 1 1 15 15 VAL CG1 C 13 22.573 0.15 1 2 . . . . 15 VAL CG1 . 15813 1 171 . 1 1 15 15 VAL CG2 C 13 21.443 0.15 1 2 . . . . 15 VAL CG2 . 15813 1 172 . 1 1 15 15 VAL N N 15 126.811 0.004 3 1 . . . . 15 VAL N . 15813 1 173 . 1 1 16 16 THR H H 1 8.910 0.015 3 1 . . . . 16 THR H . 15813 1 174 . 1 1 16 16 THR HA H 1 4.750 0.063 2 1 . . . . 16 THR HA . 15813 1 175 . 1 1 16 16 THR HB H 1 3.758 0.015 1 1 . . . . 16 THR HB . 15813 1 176 . 1 1 16 16 THR HG21 H 1 0.925 0.015 2 1 . . . . 16 THR HG21 . 15813 1 177 . 1 1 16 16 THR HG22 H 1 0.925 0.015 2 1 . . . . 16 THR HG22 . 15813 1 178 . 1 1 16 16 THR HG23 H 1 0.925 0.015 2 1 . . . . 16 THR HG23 . 15813 1 179 . 1 1 16 16 THR C C 13 172.956 0.15 1 1 . . . . 16 THR C . 15813 1 180 . 1 1 16 16 THR CA C 13 62.595 0.15 1 1 . . . . 16 THR CA . 15813 1 181 . 1 1 16 16 THR CB C 13 70.214 0.021 2 1 . . . . 16 THR CB . 15813 1 182 . 1 1 16 16 THR CG2 C 13 21.026 0.019 2 1 . . . . 16 THR CG2 . 15813 1 183 . 1 1 16 16 THR N N 15 125.143 0.005 3 1 . . . . 16 THR N . 15813 1 184 . 1 1 17 17 ILE H H 1 8.648 0.003 3 1 . . . . 17 ILE H . 15813 1 185 . 1 1 17 17 ILE HA H 1 4.640 0.008 3 1 . . . . 17 ILE HA . 15813 1 186 . 1 1 17 17 ILE HB H 1 0.742 0.003 2 1 . . . . 17 ILE HB . 15813 1 187 . 1 1 17 17 ILE HD11 H 1 0.876 0.015 1 1 . . . . 17 ILE HD11 . 15813 1 188 . 1 1 17 17 ILE HD12 H 1 0.876 0.015 1 1 . . . . 17 ILE HD12 . 15813 1 189 . 1 1 17 17 ILE HD13 H 1 0.876 0.015 1 1 . . . . 17 ILE HD13 . 15813 1 190 . 1 1 17 17 ILE HG12 H 1 0.833 0.015 1 2 . . . . 17 ILE HG12 . 15813 1 191 . 1 1 17 17 ILE HG13 H 1 0.843 0.015 1 2 . . . . 17 ILE HG13 . 15813 1 192 . 1 1 17 17 ILE HG21 H 1 0.859 0.015 1 1 . . . . 17 ILE HG21 . 15813 1 193 . 1 1 17 17 ILE HG22 H 1 0.859 0.015 1 1 . . . . 17 ILE HG22 . 15813 1 194 . 1 1 17 17 ILE HG23 H 1 0.859 0.015 1 1 . . . . 17 ILE HG23 . 15813 1 195 . 1 1 17 17 ILE C C 13 173.283 0.15 1 1 . . . . 17 ILE C . 15813 1 196 . 1 1 17 17 ILE CA C 13 60.320 0.006 2 1 . . . . 17 ILE CA . 15813 1 197 . 1 1 17 17 ILE CB C 13 41.682 0.055 2 1 . . . . 17 ILE CB . 15813 1 198 . 1 1 17 17 ILE CD1 C 13 13.810 0.15 1 1 . . . . 17 ILE CD1 . 15813 1 199 . 1 1 17 17 ILE CG2 C 13 17.773 0.15 1 1 . . . . 17 ILE CG2 . 15813 1 200 . 1 1 17 17 ILE N N 15 129.099 0.006 3 1 . . . . 17 ILE N . 15813 1 201 . 1 1 18 18 THR H H 1 8.357 0.003 3 1 . . . . 18 THR H . 15813 1 202 . 1 1 18 18 THR HA H 1 5.302 0.015 2 1 . . . . 18 THR HA . 15813 1 203 . 1 1 18 18 THR HB H 1 3.783 0.015 1 1 . . . . 18 THR HB . 15813 1 204 . 1 1 18 18 THR HG21 H 1 1.067 0.001 2 1 . . . . 18 THR HG21 . 15813 1 205 . 1 1 18 18 THR HG22 H 1 1.067 0.001 2 1 . . . . 18 THR HG22 . 15813 1 206 . 1 1 18 18 THR HG23 H 1 1.067 0.001 2 1 . . . . 18 THR HG23 . 15813 1 207 . 1 1 18 18 THR C C 13 173.962 0.15 1 1 . . . . 18 THR C . 15813 1 208 . 1 1 18 18 THR CA C 13 61.398 0.15 1 1 . . . . 18 THR CA . 15813 1 209 . 1 1 18 18 THR CB C 13 70.970 0.032 2 1 . . . . 18 THR CB . 15813 1 210 . 1 1 18 18 THR CG2 C 13 22.063 0.15 1 1 . . . . 18 THR CG2 . 15813 1 211 . 1 1 18 18 THR N N 15 121.479 0.011 3 1 . . . . 18 THR N . 15813 1 212 . 1 1 19 19 ILE H H 1 9.915 0.003 3 1 . . . . 19 ILE H . 15813 1 213 . 1 1 19 19 ILE HA H 1 4.343 0.009 3 1 . . . . 19 ILE HA . 15813 1 214 . 1 1 19 19 ILE HB H 1 2.045 0.001 2 1 . . . . 19 ILE HB . 15813 1 215 . 1 1 19 19 ILE HD11 H 1 0.947 0.015 1 1 . . . . 19 ILE HD11 . 15813 1 216 . 1 1 19 19 ILE HD12 H 1 0.947 0.015 1 1 . . . . 19 ILE HD12 . 15813 1 217 . 1 1 19 19 ILE HD13 H 1 0.947 0.015 1 1 . . . . 19 ILE HD13 . 15813 1 218 . 1 1 19 19 ILE HG12 H 1 2.276 0.015 1 2 . . . . 19 ILE HG12 . 15813 1 219 . 1 1 19 19 ILE HG13 H 1 2.056 0.015 1 2 . . . . 19 ILE HG13 . 15813 1 220 . 1 1 19 19 ILE HG21 H 1 1.109 0.015 1 1 . . . . 19 ILE HG21 . 15813 1 221 . 1 1 19 19 ILE HG22 H 1 1.109 0.015 1 1 . . . . 19 ILE HG22 . 15813 1 222 . 1 1 19 19 ILE HG23 H 1 1.109 0.015 1 1 . . . . 19 ILE HG23 . 15813 1 223 . 1 1 19 19 ILE C C 13 174.576 0.15 1 1 . . . . 19 ILE C . 15813 1 224 . 1 1 19 19 ILE CA C 13 60.326 0.246 2 1 . . . . 19 ILE CA . 15813 1 225 . 1 1 19 19 ILE CB C 13 40.546 0.053 2 1 . . . . 19 ILE CB . 15813 1 226 . 1 1 19 19 ILE CD1 C 13 14.538 0.15 1 1 . . . . 19 ILE CD1 . 15813 1 227 . 1 1 19 19 ILE CG1 C 13 27.339 0.024 2 1 . . . . 19 ILE CG1 . 15813 1 228 . 1 1 19 19 ILE CG2 C 13 18.313 0.15 1 1 . . . . 19 ILE CG2 . 15813 1 229 . 1 1 19 19 ILE N N 15 128.109 0.011 3 1 . . . . 19 ILE N . 15813 1 230 . 1 1 20 20 ALA H H 1 8.656 0.003 3 1 . . . . 20 ALA H . 15813 1 231 . 1 1 20 20 ALA HA H 1 4.263 0.014 2 1 . . . . 20 ALA HA . 15813 1 232 . 1 1 20 20 ALA HB1 H 1 1.449 0.076 2 1 . . . . 20 ALA HB1 . 15813 1 233 . 1 1 20 20 ALA HB2 H 1 1.449 0.076 2 1 . . . . 20 ALA HB2 . 15813 1 234 . 1 1 20 20 ALA HB3 H 1 1.449 0.076 2 1 . . . . 20 ALA HB3 . 15813 1 235 . 1 1 20 20 ALA C C 13 179.370 0.15 1 1 . . . . 20 ALA C . 15813 1 236 . 1 1 20 20 ALA CA C 13 52.454 0.15 1 1 . . . . 20 ALA CA . 15813 1 237 . 1 1 20 20 ALA CB C 13 19.414 0.102 2 1 . . . . 20 ALA CB . 15813 1 238 . 1 1 20 20 ALA N N 15 129.359 0.008 3 1 . . . . 20 ALA N . 15813 1 239 . 1 1 21 21 ALA H H 1 9.349 0.004 3 1 . . . . 21 ALA H . 15813 1 240 . 1 1 21 21 ALA HA H 1 4.011 0.015 1 1 . . . . 21 ALA HA . 15813 1 241 . 1 1 21 21 ALA HB1 H 1 1.335 0.002 2 1 . . . . 21 ALA HB1 . 15813 1 242 . 1 1 21 21 ALA HB2 H 1 1.335 0.002 2 1 . . . . 21 ALA HB2 . 15813 1 243 . 1 1 21 21 ALA HB3 H 1 1.335 0.002 2 1 . . . . 21 ALA HB3 . 15813 1 244 . 1 1 21 21 ALA C C 13 180.158 0.15 1 1 . . . . 21 ALA C . 15813 1 245 . 1 1 21 21 ALA CA C 13 55.882 0.15 1 1 . . . . 21 ALA CA . 15813 1 246 . 1 1 21 21 ALA CB C 13 18.831 0.149 2 1 . . . . 21 ALA CB . 15813 1 247 . 1 1 21 21 ALA N N 15 126.376 0.006 3 1 . . . . 21 ALA N . 15813 1 248 . 1 1 22 22 ASP H H 1 8.945 0.001 3 1 . . . . 22 ASP H . 15813 1 249 . 1 1 22 22 ASP HA H 1 4.311 0.088 2 1 . . . . 22 ASP HA . 15813 1 250 . 1 1 22 22 ASP HB2 H 1 2.593 0.015 1 2 . . . . 22 ASP HB2 . 15813 1 251 . 1 1 22 22 ASP HB3 H 1 2.593 . . . . . . . 22 ASP HB3 . 15813 1 252 . 1 1 22 22 ASP C C 13 178.720 0.15 1 1 . . . . 22 ASP C . 15813 1 253 . 1 1 22 22 ASP CA C 13 57.574 0.15 1 1 . . . . 22 ASP CA . 15813 1 254 . 1 1 22 22 ASP CB C 13 40.575 0.15 1 1 . . . . 22 ASP CB . 15813 1 255 . 1 1 22 22 ASP N N 15 114.992 0.004 3 1 . . . . 22 ASP N . 15813 1 256 . 1 1 23 23 SER H H 1 7.514 0.001 3 1 . . . . 23 SER H . 15813 1 257 . 1 1 23 23 SER HA H 1 4.210 0.024 2 1 . . . . 23 SER HA . 15813 1 258 . 1 1 23 23 SER HB2 H 1 3.927 0.015 1 2 . . . . 23 SER HB2 . 15813 1 259 . 1 1 23 23 SER HB3 H 1 3.927 0.015 1 2 . . . . 23 SER HB3 . 15813 1 260 . 1 1 23 23 SER C C 13 176.591 0.15 1 1 . . . . 23 SER C . 15813 1 261 . 1 1 23 23 SER CA C 13 61.547 0.15 1 1 . . . . 23 SER CA . 15813 1 262 . 1 1 23 23 SER CB C 13 62.788 0.15 1 1 . . . . 23 SER CB . 15813 1 263 . 1 1 23 23 SER N N 15 116.254 0.001 3 1 . . . . 23 SER N . 15813 1 264 . 1 1 24 24 ILE H H 1 7.334 0.001 3 1 . . . . 24 ILE H . 15813 1 265 . 1 1 24 24 ILE HA H 1 3.435 0.008 3 1 . . . . 24 ILE HA . 15813 1 266 . 1 1 24 24 ILE HB H 1 2.090 0.003 2 1 . . . . 24 ILE HB . 15813 1 267 . 1 1 24 24 ILE HD11 H 1 0.913 0.015 1 1 . . . . 24 ILE HD11 . 15813 1 268 . 1 1 24 24 ILE HD12 H 1 0.913 0.015 1 1 . . . . 24 ILE HD12 . 15813 1 269 . 1 1 24 24 ILE HD13 H 1 0.913 0.015 1 1 . . . . 24 ILE HD13 . 15813 1 270 . 1 1 24 24 ILE HG12 H 1 1.724 . . . . . . . 24 ILE HG12 . 15813 1 271 . 1 1 24 24 ILE HG13 H 1 1.091 . . . . . . . 24 ILE HG13 . 15813 1 272 . 1 1 24 24 ILE HG21 H 1 0.677 0.015 1 1 . . . . 24 ILE HG21 . 15813 1 273 . 1 1 24 24 ILE HG22 H 1 0.677 0.015 1 1 . . . . 24 ILE HG22 . 15813 1 274 . 1 1 24 24 ILE HG23 H 1 0.677 0.015 1 1 . . . . 24 ILE HG23 . 15813 1 275 . 1 1 24 24 ILE C C 13 177.176 0.15 1 1 . . . . 24 ILE C . 15813 1 276 . 1 1 24 24 ILE CA C 13 65.312 0.136 2 1 . . . . 24 ILE CA . 15813 1 277 . 1 1 24 24 ILE CB C 13 38.495 0.018 2 1 . . . . 24 ILE CB . 15813 1 278 . 1 1 24 24 ILE CD1 C 13 15.053 0.15 1 1 . . . . 24 ILE CD1 . 15813 1 279 . 1 1 24 24 ILE CG2 C 13 17.039 0.15 1 1 . . . . 24 ILE CG2 . 15813 1 280 . 1 1 24 24 ILE N N 15 122.112 0.002 3 1 . . . . 24 ILE N . 15813 1 281 . 1 1 25 25 GLU H H 1 8.216 0.002 3 1 . . . . 25 GLU H . 15813 1 282 . 1 1 25 25 GLU HA H 1 3.939 0.015 1 1 . . . . 25 GLU HA . 15813 1 283 . 1 1 25 25 GLU HB2 H 1 2.089 0.015 1 2 . . . . 25 GLU HB2 . 15813 1 284 . 1 1 25 25 GLU HB3 H 1 2.089 . . . . . . . 25 GLU HB3 . 15813 1 285 . 1 1 25 25 GLU HG2 H 1 2.397 . . . . . . . 25 GLU HG2 . 15813 1 286 . 1 1 25 25 GLU HG3 H 1 2.397 . . . . . . . 25 GLU HG3 . 15813 1 287 . 1 1 25 25 GLU C C 13 179.684 0.15 1 1 . . . . 25 GLU C . 15813 1 288 . 1 1 25 25 GLU CA C 13 59.418 0.15 1 1 . . . . 25 GLU CA . 15813 1 289 . 1 1 25 25 GLU CB C 13 28.959 0.15 1 1 . . . . 25 GLU CB . 15813 1 290 . 1 1 25 25 GLU N N 15 117.451 0.002 3 1 . . . . 25 GLU N . 15813 1 291 . 1 1 26 26 THR H H 1 8.210 0.003 3 1 . . . . 26 THR H . 15813 1 292 . 1 1 26 26 THR HA H 1 3.918 0.004 2 1 . . . . 26 THR HA . 15813 1 293 . 1 1 26 26 THR HB H 1 4.034 0.133 2 1 . . . . 26 THR HB . 15813 1 294 . 1 1 26 26 THR HG21 H 1 1.243 0.015 2 1 . . . . 26 THR HG21 . 15813 1 295 . 1 1 26 26 THR HG22 H 1 1.243 0.015 2 1 . . . . 26 THR HG22 . 15813 1 296 . 1 1 26 26 THR HG23 H 1 1.243 0.015 2 1 . . . . 26 THR HG23 . 15813 1 297 . 1 1 26 26 THR C C 13 176.129 . . . . . . . 26 THR C . 15813 1 298 . 1 1 26 26 THR CA C 13 66.958 0.15 1 1 . . . . 26 THR CA . 15813 1 299 . 1 1 26 26 THR CB C 13 68.888 0.016 2 1 . . . . 26 THR CB . 15813 1 300 . 1 1 26 26 THR CG2 C 13 21.561 0.070 2 1 . . . . 26 THR CG2 . 15813 1 301 . 1 1 26 26 THR N N 15 115.087 0.002 3 1 . . . . 26 THR N . 15813 1 302 . 1 1 27 27 ALA H H 1 7.308 0.003 3 1 . . . . 27 ALA H . 15813 1 303 . 1 1 27 27 ALA HA H 1 4.181 0.009 2 1 . . . . 27 ALA HA . 15813 1 304 . 1 1 27 27 ALA HB1 H 1 1.530 0.016 2 1 . . . . 27 ALA HB1 . 15813 1 305 . 1 1 27 27 ALA HB2 H 1 1.530 0.016 2 1 . . . . 27 ALA HB2 . 15813 1 306 . 1 1 27 27 ALA HB3 H 1 1.530 0.016 2 1 . . . . 27 ALA HB3 . 15813 1 307 . 1 1 27 27 ALA C C 13 180.221 0.15 1 1 . . . . 27 ALA C . 15813 1 308 . 1 1 27 27 ALA CA C 13 55.331 0.15 1 1 . . . . 27 ALA CA . 15813 1 309 . 1 1 27 27 ALA CB C 13 18.899 0.067 2 1 . . . . 27 ALA CB . 15813 1 310 . 1 1 27 27 ALA N N 15 125.173 0.001 3 1 . . . . 27 ALA N . 15813 1 311 . 1 1 28 28 VAL H H 1 8.600 0.001 3 1 . . . . 28 VAL H . 15813 1 312 . 1 1 28 28 VAL HA H 1 3.423 0.012 2 1 . . . . 28 VAL HA . 15813 1 313 . 1 1 28 28 VAL HB H 1 2.123 0.014 2 1 . . . . 28 VAL HB . 15813 1 314 . 1 1 28 28 VAL HG11 H 1 0.922 0.015 1 2 . . . . 28 VAL HG11 . 15813 1 315 . 1 1 28 28 VAL HG12 H 1 0.922 0.015 1 2 . . . . 28 VAL HG12 . 15813 1 316 . 1 1 28 28 VAL HG13 H 1 0.922 0.015 1 2 . . . . 28 VAL HG13 . 15813 1 317 . 1 1 28 28 VAL HG21 H 1 0.882 . . . . . . . 28 VAL HG21 . 15813 1 318 . 1 1 28 28 VAL HG22 H 1 0.882 . . . . . . . 28 VAL HG22 . 15813 1 319 . 1 1 28 28 VAL HG23 H 1 0.882 . . . . . . . 28 VAL HG23 . 15813 1 320 . 1 1 28 28 VAL C C 13 177.038 0.15 1 1 . . . . 28 VAL C . 15813 1 321 . 1 1 28 28 VAL CA C 13 67.122 0.15 1 1 . . . . 28 VAL CA . 15813 1 322 . 1 1 28 28 VAL CB C 13 31.694 0.008 2 1 . . . . 28 VAL CB . 15813 1 323 . 1 1 28 28 VAL CG1 C 13 23.876 0.15 1 2 . . . . 28 VAL CG1 . 15813 1 324 . 1 1 28 28 VAL CG2 C 13 20.910 0.15 1 2 . . . . 28 VAL CG2 . 15813 1 325 . 1 1 28 28 VAL N N 15 119.939 0.006 3 1 . . . . 28 VAL N . 15813 1 326 . 1 1 29 29 LYS H H 1 8.102 0.004 3 1 . . . . 29 LYS H . 15813 1 327 . 1 1 29 29 LYS HA H 1 3.843 0.008 2 1 . . . . 29 LYS HA . 15813 1 328 . 1 1 29 29 LYS HB2 H 1 1.907 0.015 1 2 . . . . 29 LYS HB2 . 15813 1 329 . 1 1 29 29 LYS HB3 H 1 1.907 . . . . . . . 29 LYS HB3 . 15813 1 330 . 1 1 29 29 LYS HD2 H 1 1.589 . . . . . . . 29 LYS HD2 . 15813 1 331 . 1 1 29 29 LYS HD3 H 1 1.589 . . . . . . . 29 LYS HD3 . 15813 1 332 . 1 1 29 29 LYS HE2 H 1 2.893 . . . . . . . 29 LYS HE2 . 15813 1 333 . 1 1 29 29 LYS HE3 H 1 2.893 . . . . . . . 29 LYS HE3 . 15813 1 334 . 1 1 29 29 LYS HG2 H 1 1.410 . . . . . . . 29 LYS HG2 . 15813 1 335 . 1 1 29 29 LYS HG3 H 1 1.410 . . . . . . . 29 LYS HG3 . 15813 1 336 . 1 1 29 29 LYS C C 13 178.813 0.15 1 1 . . . . 29 LYS C . 15813 1 337 . 1 1 29 29 LYS CA C 13 60.803 0.15 1 1 . . . . 29 LYS CA . 15813 1 338 . 1 1 29 29 LYS CB C 13 32.048 0.15 1 1 . . . . 29 LYS CB . 15813 1 339 . 1 1 29 29 LYS CE C 13 42.152 . . . . . . . 29 LYS CE . 15813 1 340 . 1 1 29 29 LYS N N 15 118.843 0.006 3 1 . . . . 29 LYS N . 15813 1 341 . 1 1 30 30 SER H H 1 7.876 0.001 3 1 . . . . 30 SER H . 15813 1 342 . 1 1 30 30 SER HA H 1 4.163 0.009 2 1 . . . . 30 SER HA . 15813 1 343 . 1 1 30 30 SER HB2 H 1 3.942 0.015 1 2 . . . . 30 SER HB2 . 15813 1 344 . 1 1 30 30 SER HB3 H 1 3.942 0.015 1 2 . . . . 30 SER HB3 . 15813 1 345 . 1 1 30 30 SER C C 13 176.727 0.15 1 1 . . . . 30 SER C . 15813 1 346 . 1 1 30 30 SER CA C 13 61.559 0.15 1 1 . . . . 30 SER CA . 15813 1 347 . 1 1 30 30 SER CB C 13 62.879 0.15 1 1 . . . . 30 SER CB . 15813 1 348 . 1 1 30 30 SER N N 15 112.427 0.000 3 1 . . . . 30 SER N . 15813 1 349 . 1 1 31 31 GLU H H 1 7.871 0.002 3 1 . . . . 31 GLU H . 15813 1 350 . 1 1 31 31 GLU HA H 1 4.424 0.004 2 1 . . . . 31 GLU HA . 15813 1 351 . 1 1 31 31 GLU HB2 H 1 1.938 0.015 1 2 . . . . 31 GLU HB2 . 15813 1 352 . 1 1 31 31 GLU HB3 H 1 1.861 0.015 1 2 . . . . 31 GLU HB3 . 15813 1 353 . 1 1 31 31 GLU HG2 H 1 2.128 . . . . . . . 31 GLU HG2 . 15813 1 354 . 1 1 31 31 GLU HG3 H 1 2.128 . . . . . . . 31 GLU HG3 . 15813 1 355 . 1 1 31 31 GLU C C 13 179.052 0.15 1 1 . . . . 31 GLU C . 15813 1 356 . 1 1 31 31 GLU CA C 13 57.923 0.15 1 1 . . . . 31 GLU CA . 15813 1 357 . 1 1 31 31 GLU CB C 13 28.732 0.15 1 1 . . . . 31 GLU CB . 15813 1 358 . 1 1 31 31 GLU N N 15 121.930 0.005 3 1 . . . . 31 GLU N . 15813 1 359 . 1 1 32 32 LEU H H 1 8.645 0.002 3 1 . . . . 32 LEU H . 15813 1 360 . 1 1 32 32 LEU HA H 1 3.920 0.016 3 1 . . . . 32 LEU HA . 15813 1 361 . 1 1 32 32 LEU HB2 H 1 2.000 0.015 1 2 . . . . 32 LEU HB2 . 15813 1 362 . 1 1 32 32 LEU HB3 H 1 1.341 0.015 1 2 . . . . 32 LEU HB3 . 15813 1 363 . 1 1 32 32 LEU HD11 H 1 0.804 0.015 1 1 . . . . 32 LEU HD11 . 15813 1 364 . 1 1 32 32 LEU HD12 H 1 0.804 0.015 1 1 . . . . 32 LEU HD12 . 15813 1 365 . 1 1 32 32 LEU HD13 H 1 0.804 0.015 1 1 . . . . 32 LEU HD13 . 15813 1 366 . 1 1 32 32 LEU HD21 H 1 0.690 0.015 1 1 . . . . 32 LEU HD21 . 15813 1 367 . 1 1 32 32 LEU HD22 H 1 0.690 0.015 1 1 . . . . 32 LEU HD22 . 15813 1 368 . 1 1 32 32 LEU HD23 H 1 0.690 0.015 1 1 . . . . 32 LEU HD23 . 15813 1 369 . 1 1 32 32 LEU HG H 1 0.806 0.015 1 1 . . . . 32 LEU HG . 15813 1 370 . 1 1 32 32 LEU C C 13 178.700 0.15 1 1 . . . . 32 LEU C . 15813 1 371 . 1 1 32 32 LEU CA C 13 58.226 0.057 2 1 . . . . 32 LEU CA . 15813 1 372 . 1 1 32 32 LEU CB C 13 41.535 0.15 1 1 . . . . 32 LEU CB . 15813 1 373 . 1 1 32 32 LEU CD1 C 13 26.184 0.15 1 2 . . . . 32 LEU CD1 . 15813 1 374 . 1 1 32 32 LEU CD2 C 13 23.521 0.15 1 2 . . . . 32 LEU CD2 . 15813 1 375 . 1 1 32 32 LEU N N 15 120.958 0.013 3 1 . . . . 32 LEU N . 15813 1 376 . 1 1 33 33 VAL H H 1 7.683 0.002 3 1 . . . . 33 VAL H . 15813 1 377 . 1 1 33 33 VAL HA H 1 3.494 0.017 2 1 . . . . 33 VAL HA . 15813 1 378 . 1 1 33 33 VAL HB H 1 2.206 0.015 1 1 . . . . 33 VAL HB . 15813 1 379 . 1 1 33 33 VAL HG11 H 1 1.065 0.015 1 2 . . . . 33 VAL HG11 . 15813 1 380 . 1 1 33 33 VAL HG12 H 1 1.065 0.015 1 2 . . . . 33 VAL HG12 . 15813 1 381 . 1 1 33 33 VAL HG13 H 1 1.065 0.015 1 2 . . . . 33 VAL HG13 . 15813 1 382 . 1 1 33 33 VAL HG21 H 1 0.689 0.225 3 2 . . . . 33 VAL HG21 . 15813 1 383 . 1 1 33 33 VAL HG22 H 1 0.689 0.225 3 2 . . . . 33 VAL HG22 . 15813 1 384 . 1 1 33 33 VAL HG23 H 1 0.689 0.225 3 2 . . . . 33 VAL HG23 . 15813 1 385 . 1 1 33 33 VAL C C 13 177.958 0.15 1 1 . . . . 33 VAL C . 15813 1 386 . 1 1 33 33 VAL CA C 13 67.082 0.15 1 1 . . . . 33 VAL CA . 15813 1 387 . 1 1 33 33 VAL CB C 13 31.571 0.15 1 1 . . . . 33 VAL CB . 15813 1 388 . 1 1 33 33 VAL CG1 C 13 22.924 0.15 1 2 . . . . 33 VAL CG1 . 15813 1 389 . 1 1 33 33 VAL CG2 C 13 21.664 0.787 3 2 . . . . 33 VAL CG2 . 15813 1 390 . 1 1 33 33 VAL N N 15 118.838 0.003 3 1 . . . . 33 VAL N . 15813 1 391 . 1 1 34 34 ASN H H 1 7.199 0.003 3 1 . . . . 34 ASN H . 15813 1 392 . 1 1 34 34 ASN HA H 1 4.394 0.011 2 1 . . . . 34 ASN HA . 15813 1 393 . 1 1 34 34 ASN HB2 H 1 2.951 0.015 1 2 . . . . 34 ASN HB2 . 15813 1 394 . 1 1 34 34 ASN HB3 H 1 2.815 0.015 1 2 . . . . 34 ASN HB3 . 15813 1 395 . 1 1 34 34 ASN HD21 H 1 7.641 0.004 3 2 . . . . 34 ASN HD21 . 15813 1 396 . 1 1 34 34 ASN HD22 H 1 6.803 0.014 2 2 . . . . 34 ASN HD22 . 15813 1 397 . 1 1 34 34 ASN C C 13 178.359 0.15 1 1 . . . . 34 ASN C . 15813 1 398 . 1 1 34 34 ASN CA C 13 56.224 0.15 1 1 . . . . 34 ASN CA . 15813 1 399 . 1 1 34 34 ASN CB C 13 38.025 0.15 1 1 . . . . 34 ASN CB . 15813 1 400 . 1 1 34 34 ASN CG C 13 175.753 0.15 1 1 . . . . 34 ASN CG . 15813 1 401 . 1 1 34 34 ASN N N 15 117.998 0.003 3 1 . . . . 34 ASN N . 15813 1 402 . 1 1 34 34 ASN ND2 N 15 113.546 0.009 3 1 . . . . 34 ASN ND2 . 15813 1 403 . 1 1 35 35 VAL H H 1 8.432 0.001 3 1 . . . . 35 VAL H . 15813 1 404 . 1 1 35 35 VAL HA H 1 3.424 0.023 2 1 . . . . 35 VAL HA . 15813 1 405 . 1 1 35 35 VAL HB H 1 1.937 0.015 1 1 . . . . 35 VAL HB . 15813 1 406 . 1 1 35 35 VAL HG11 H 1 0.873 0.015 1 2 . . . . 35 VAL HG11 . 15813 1 407 . 1 1 35 35 VAL HG12 H 1 0.873 0.015 1 2 . . . . 35 VAL HG12 . 15813 1 408 . 1 1 35 35 VAL HG13 H 1 0.873 0.015 1 2 . . . . 35 VAL HG13 . 15813 1 409 . 1 1 35 35 VAL HG21 H 1 0.873 0.015 1 2 . . . . 35 VAL HG21 . 15813 1 410 . 1 1 35 35 VAL HG22 H 1 0.873 0.015 1 2 . . . . 35 VAL HG22 . 15813 1 411 . 1 1 35 35 VAL HG23 H 1 0.873 0.015 1 2 . . . . 35 VAL HG23 . 15813 1 412 . 1 1 35 35 VAL C C 13 178.007 0.15 1 1 . . . . 35 VAL C . 15813 1 413 . 1 1 35 35 VAL CA C 13 66.383 0.15 1 1 . . . . 35 VAL CA . 15813 1 414 . 1 1 35 35 VAL CB C 13 31.766 0.15 1 1 . . . . 35 VAL CB . 15813 1 415 . 1 1 35 35 VAL CG1 C 13 23.633 0.15 1 2 . . . . 35 VAL CG1 . 15813 1 416 . 1 1 35 35 VAL CG2 C 13 22.833 0.15 1 2 . . . . 35 VAL CG2 . 15813 1 417 . 1 1 35 35 VAL N N 15 121.836 0.001 3 1 . . . . 35 VAL N . 15813 1 418 . 1 1 36 36 ALA H H 1 8.296 0.002 3 1 . . . . 36 ALA H . 15813 1 419 . 1 1 36 36 ALA HA H 1 3.795 0.015 1 1 . . . . 36 ALA HA . 15813 1 420 . 1 1 36 36 ALA HB1 H 1 1.502 0.002 2 1 . . . . 36 ALA HB1 . 15813 1 421 . 1 1 36 36 ALA HB2 H 1 1.502 0.002 2 1 . . . . 36 ALA HB2 . 15813 1 422 . 1 1 36 36 ALA HB3 H 1 1.502 0.002 2 1 . . . . 36 ALA HB3 . 15813 1 423 . 1 1 36 36 ALA C C 13 178.619 0.15 1 1 . . . . 36 ALA C . 15813 1 424 . 1 1 36 36 ALA CA C 13 54.771 0.15 1 1 . . . . 36 ALA CA . 15813 1 425 . 1 1 36 36 ALA CB C 13 18.852 0.050 2 1 . . . . 36 ALA CB . 15813 1 426 . 1 1 36 36 ALA N N 15 120.146 0.003 3 1 . . . . 36 ALA N . 15813 1 427 . 1 1 37 37 LYS H H 1 7.311 0.002 3 1 . . . . 37 LYS H . 15813 1 428 . 1 1 37 37 LYS HA H 1 4.145 0.013 2 1 . . . . 37 LYS HA . 15813 1 429 . 1 1 37 37 LYS HB2 H 1 1.915 0.015 1 2 . . . . 37 LYS HB2 . 15813 1 430 . 1 1 37 37 LYS HB3 H 1 1.915 . . . . . . . 37 LYS HB3 . 15813 1 431 . 1 1 37 37 LYS HD2 H 1 1.889 . . . . . . . 37 LYS HD2 . 15813 1 432 . 1 1 37 37 LYS HD3 H 1 1.889 . . . . . . . 37 LYS HD3 . 15813 1 433 . 1 1 37 37 LYS HG2 H 1 1.742 . . . . . . . 37 LYS HG2 . 15813 1 434 . 1 1 37 37 LYS HG3 H 1 1.742 . . . . . . . 37 LYS HG3 . 15813 1 435 . 1 1 37 37 LYS C C 13 177.002 0.15 1 1 . . . . 37 LYS C . 15813 1 436 . 1 1 37 37 LYS CA C 13 58.440 0.15 1 1 . . . . 37 LYS CA . 15813 1 437 . 1 1 37 37 LYS CB C 13 33.190 0.15 1 1 . . . . 37 LYS CB . 15813 1 438 . 1 1 37 37 LYS CG C 13 30.46 . . . . . . . 37 LYS CG . 15813 1 439 . 1 1 37 37 LYS N N 15 114.087 0.004 3 1 . . . . 37 LYS N . 15813 1 440 . 1 1 38 38 LYS H H 1 7.558 0.003 3 1 . . . . 38 LYS H . 15813 1 441 . 1 1 38 38 LYS HA H 1 4.387 0.003 2 1 . . . . 38 LYS HA . 15813 1 442 . 1 1 38 38 LYS HB2 H 1 1.809 0.015 1 2 . . . . 38 LYS HB2 . 15813 1 443 . 1 1 38 38 LYS HB3 H 1 1.809 . . . . . . . 38 LYS HB3 . 15813 1 444 . 1 1 38 38 LYS HD2 H 1 1.803 . . . . . . . 38 LYS HD2 . 15813 1 445 . 1 1 38 38 LYS HD3 H 1 1.803 . . . . . . . 38 LYS HD3 . 15813 1 446 . 1 1 38 38 LYS HG2 H 1 1.385 0.015 1 2 . . . . 38 LYS HG2 . 15813 1 447 . 1 1 38 38 LYS HG3 H 1 1.385 . . . . . . . 38 LYS HG3 . 15813 1 448 . 1 1 38 38 LYS C C 13 176.648 0.15 1 1 . . . . 38 LYS C . 15813 1 449 . 1 1 38 38 LYS CA C 13 56.491 0.15 1 1 . . . . 38 LYS CA . 15813 1 450 . 1 1 38 38 LYS CB C 13 34.722 0.15 1 1 . . . . 38 LYS CB . 15813 1 451 . 1 1 38 38 LYS CD C 13 29.438 0.15 1 1 . . . . 38 LYS CD . 15813 1 452 . 1 1 38 38 LYS CG C 13 24.944 0.15 1 1 . . . . 38 LYS CG . 15813 1 453 . 1 1 38 38 LYS N N 15 115.242 0.008 3 1 . . . . 38 LYS N . 15813 1 454 . 1 1 39 39 VAL H H 1 7.378 0.002 3 1 . . . . 39 VAL H . 15813 1 455 . 1 1 39 39 VAL HA H 1 4.135 0.005 2 1 . . . . 39 VAL HA . 15813 1 456 . 1 1 39 39 VAL HB H 1 2.026 0.008 2 1 . . . . 39 VAL HB . 15813 1 457 . 1 1 39 39 VAL HG11 H 1 0.910 0.015 1 2 . . . . 39 VAL HG11 . 15813 1 458 . 1 1 39 39 VAL HG12 H 1 0.910 0.015 1 2 . . . . 39 VAL HG12 . 15813 1 459 . 1 1 39 39 VAL HG13 H 1 0.910 0.015 1 2 . . . . 39 VAL HG13 . 15813 1 460 . 1 1 39 39 VAL HG21 H 1 0.727 0.015 1 2 . . . . 39 VAL HG21 . 15813 1 461 . 1 1 39 39 VAL HG22 H 1 0.727 0.015 1 2 . . . . 39 VAL HG22 . 15813 1 462 . 1 1 39 39 VAL HG23 H 1 0.727 0.015 1 2 . . . . 39 VAL HG23 . 15813 1 463 . 1 1 39 39 VAL C C 13 174.488 0.15 1 1 . . . . 39 VAL C . 15813 1 464 . 1 1 39 39 VAL CA C 13 62.340 0.15 1 1 . . . . 39 VAL CA . 15813 1 465 . 1 1 39 39 VAL CB C 13 33.134 0.15 2 1 . . . . 39 VAL CB . 15813 1 466 . 1 1 39 39 VAL CG1 C 13 20.485 0.15 1 2 . . . . 39 VAL CG1 . 15813 1 467 . 1 1 39 39 VAL CG2 C 13 21.332 0.15 1 2 . . . . 39 VAL CG2 . 15813 1 468 . 1 1 39 39 VAL N N 15 116.377 0.001 3 1 . . . . 39 VAL N . 15813 1 469 . 1 1 40 40 ARG H H 1 8.368 0.003 3 1 . . . . 40 ARG H . 15813 1 470 . 1 1 40 40 ARG HA H 1 4.559 0.016 2 1 . . . . 40 ARG HA . 15813 1 471 . 1 1 40 40 ARG HB2 H 1 1.799 0.015 1 2 . . . . 40 ARG HB2 . 15813 1 472 . 1 1 40 40 ARG HB3 H 1 1.638 0.015 1 2 . . . . 40 ARG HB3 . 15813 1 473 . 1 1 40 40 ARG HD2 H 1 1.702 . . . . . . . 40 ARG HD2 . 15813 1 474 . 1 1 40 40 ARG HD3 H 1 1.702 . . . . . . . 40 ARG HD3 . 15813 1 475 . 1 1 40 40 ARG HG2 H 1 1.640 . . . . . . . 40 ARG HG2 . 15813 1 476 . 1 1 40 40 ARG HG3 H 1 1.468 . . . . . . . 40 ARG HG3 . 15813 1 477 . 1 1 40 40 ARG C C 13 174.910 0.15 1 1 . . . . 40 ARG C . 15813 1 478 . 1 1 40 40 ARG CA C 13 55.459 0.15 1 1 . . . . 40 ARG CA . 15813 1 479 . 1 1 40 40 ARG CB C 13 31.547 0.15 1 1 . . . . 40 ARG CB . 15813 1 480 . 1 1 40 40 ARG CG C 13 27.602 0.15 1 1 . . . . 40 ARG CG . 15813 1 481 . 1 1 40 40 ARG N N 15 124.369 0.004 3 1 . . . . 40 ARG N . 15813 1 482 . 1 1 41 41 ILE H H 1 8.039 0.001 3 1 . . . . 41 ILE H . 15813 1 483 . 1 1 41 41 ILE HA H 1 4.343 0.006 2 1 . . . . 41 ILE HA . 15813 1 484 . 1 1 41 41 ILE HB H 1 1.784 0.015 2 1 . . . . 41 ILE HB . 15813 1 485 . 1 1 41 41 ILE HD11 H 1 0.830 0.015 1 1 . . . . 41 ILE HD11 . 15813 1 486 . 1 1 41 41 ILE HD12 H 1 0.830 0.015 1 1 . . . . 41 ILE HD12 . 15813 1 487 . 1 1 41 41 ILE HD13 H 1 0.830 0.015 1 1 . . . . 41 ILE HD13 . 15813 1 488 . 1 1 41 41 ILE HG12 H 1 1.524 0.015 1 2 . . . . 41 ILE HG12 . 15813 1 489 . 1 1 41 41 ILE HG13 H 1 1.165 0.015 1 2 . . . . 41 ILE HG13 . 15813 1 490 . 1 1 41 41 ILE HG21 H 1 1.033 0.015 1 1 . . . . 41 ILE HG21 . 15813 1 491 . 1 1 41 41 ILE HG22 H 1 1.033 0.015 1 1 . . . . 41 ILE HG22 . 15813 1 492 . 1 1 41 41 ILE HG23 H 1 1.033 0.015 1 1 . . . . 41 ILE HG23 . 15813 1 493 . 1 1 41 41 ILE C C 13 174.600 0.15 1 1 . . . . 41 ILE C . 15813 1 494 . 1 1 41 41 ILE CA C 13 60.082 0.15 1 1 . . . . 41 ILE CA . 15813 1 495 . 1 1 41 41 ILE CB C 13 40.849 0.008 2 1 . . . . 41 ILE CB . 15813 1 496 . 1 1 41 41 ILE CD1 C 13 13.719 0.15 1 1 . . . . 41 ILE CD1 . 15813 1 497 . 1 1 41 41 ILE CG1 C 13 27.454 0.005 2 1 . . . . 41 ILE CG1 . 15813 1 498 . 1 1 41 41 ILE CG2 C 13 17.299 0.15 1 1 . . . . 41 ILE CG2 . 15813 1 499 . 1 1 41 41 ILE N N 15 124.099 0.001 3 1 . . . . 41 ILE N . 15813 1 500 . 1 1 42 42 ASP H H 1 8.572 0.015 3 1 . . . . 42 ASP H . 15813 1 501 . 1 1 42 42 ASP HA H 1 4.331 0.015 1 1 . . . . 42 ASP HA . 15813 1 502 . 1 1 42 42 ASP HB2 H 1 2.652 0.015 1 2 . . . . 42 ASP HB2 . 15813 1 503 . 1 1 42 42 ASP HB3 H 1 2.652 . . . . . . . 42 ASP HB3 . 15813 1 504 . 1 1 42 42 ASP C C 13 175.951 0.15 1 1 . . . . 42 ASP C . 15813 1 505 . 1 1 42 42 ASP CA C 13 56.421 0.15 1 1 . . . . 42 ASP CA . 15813 1 506 . 1 1 42 42 ASP CB C 13 40.627 0.15 1 1 . . . . 42 ASP CB . 15813 1 507 . 1 1 42 42 ASP N N 15 124.889 0.003 3 1 . . . . 42 ASP N . 15813 1 508 . 1 1 43 43 GLY H H 1 8.467 0.005 3 1 . . . . 43 GLY H . 15813 1 509 . 1 1 43 43 GLY HA2 H 1 3.951 0.015 1 2 . . . . 43 GLY HA2 . 15813 1 510 . 1 1 43 43 GLY HA3 H 1 3.491 0.015 1 2 . . . . 43 GLY HA3 . 15813 1 511 . 1 1 43 43 GLY C C 13 173.793 0.15 1 1 . . . . 43 GLY C . 15813 1 512 . 1 1 43 43 GLY CA C 13 44.809 0.15 1 1 . . . . 43 GLY CA . 15813 1 513 . 1 1 43 43 GLY N N 15 110.148 0.011 3 1 . . . . 43 GLY N . 15813 1 514 . 1 1 44 44 PHE H H 1 8.085 0.001 3 1 . . . . 44 PHE H . 15813 1 515 . 1 1 44 44 PHE HA H 1 4.742 0.003 2 1 . . . . 44 PHE HA . 15813 1 516 . 1 1 44 44 PHE HB2 H 1 3.035 0.015 1 2 . . . . 44 PHE HB2 . 15813 1 517 . 1 1 44 44 PHE HB3 H 1 2.874 0.015 1 2 . . . . 44 PHE HB3 . 15813 1 518 . 1 1 44 44 PHE HD1 H 1 7.265 . . . . . . . 44 PHE HD1 . 15813 1 519 . 1 1 44 44 PHE HD2 H 1 7.265 . . . . . . . 44 PHE HD2 . 15813 1 520 . 1 1 44 44 PHE C C 13 175.761 0.15 1 1 . . . . 44 PHE C . 15813 1 521 . 1 1 44 44 PHE CA C 13 57.394 0.15 1 1 . . . . 44 PHE CA . 15813 1 522 . 1 1 44 44 PHE CB C 13 42.310 0.15 1 1 . . . . 44 PHE CB . 15813 1 523 . 1 1 44 44 PHE CD1 C 13 131.9 . . . . . . . 44 PHE CD1 . 15813 1 524 . 1 1 44 44 PHE CD2 C 13 131.9 . . . . . . . 44 PHE CD2 . 15813 1 525 . 1 1 44 44 PHE N N 15 118.593 0.004 3 1 . . . . 44 PHE N . 15813 1 526 . 1 1 45 45 ARG H H 1 8.721 0.003 3 1 . . . . 45 ARG H . 15813 1 527 . 1 1 45 45 ARG HA H 1 4.296 0.015 1 1 . . . . 45 ARG HA . 15813 1 528 . 1 1 45 45 ARG HB2 H 1 1.947 0.015 1 2 . . . . 45 ARG HB2 . 15813 1 529 . 1 1 45 45 ARG HB3 H 1 1.655 0.015 1 2 . . . . 45 ARG HB3 . 15813 1 530 . 1 1 45 45 ARG HD2 H 1 3.004 . . . . . . . 45 ARG HD2 . 15813 1 531 . 1 1 45 45 ARG HD3 H 1 2.883 . . . . . . . 45 ARG HD3 . 15813 1 532 . 1 1 45 45 ARG HG2 H 1 1.721 . . . . . . . 45 ARG HG2 . 15813 1 533 . 1 1 45 45 ARG HG3 H 1 1.721 . . . . . . . 45 ARG HG3 . 15813 1 534 . 1 1 45 45 ARG C C 13 176.455 0.15 1 1 . . . . 45 ARG C . 15813 1 535 . 1 1 45 45 ARG CA C 13 55.989 0.15 1 1 . . . . 45 ARG CA . 15813 1 536 . 1 1 45 45 ARG CB C 13 30.687 0.15 1 1 . . . . 45 ARG CB . 15813 1 537 . 1 1 45 45 ARG CG C 13 26.991 0.15 1 1 . . . . 45 ARG CG . 15813 1 538 . 1 1 45 45 ARG N N 15 122.206 0.008 3 1 . . . . 45 ARG N . 15813 1 539 . 1 1 46 46 LYS H H 1 8.635 0.005 3 1 . . . . 46 LYS H . 15813 1 540 . 1 1 46 46 LYS HA H 1 4.036 0.015 1 1 . . . . 46 LYS HA . 15813 1 541 . 1 1 46 46 LYS HB2 H 1 1.752 0.015 1 2 . . . . 46 LYS HB2 . 15813 1 542 . 1 1 46 46 LYS HB3 H 1 1.721 . . . . . . . 46 LYS HB3 . 15813 1 543 . 1 1 46 46 LYS HE2 H 1 3.224 . . . . . . . 46 LYS HE2 . 15813 1 544 . 1 1 46 46 LYS HE3 H 1 3.224 . . . . . . . 46 LYS HE3 . 15813 1 545 . 1 1 46 46 LYS C C 13 177.697 0.15 1 1 . . . . 46 LYS C . 15813 1 546 . 1 1 46 46 LYS CA C 13 58.228 0.15 1 1 . . . . 46 LYS CA . 15813 1 547 . 1 1 46 46 LYS CB C 13 32.154 0.15 1 1 . . . . 46 LYS CB . 15813 1 548 . 1 1 46 46 LYS N N 15 122.686 0.002 3 1 . . . . 46 LYS N . 15813 1 549 . 1 1 47 47 GLY H H 1 8.907 0.002 3 1 . . . . 47 GLY H . 15813 1 550 . 1 1 47 47 GLY HA2 H 1 4.149 0.012 2 2 . . . . 47 GLY HA2 . 15813 1 551 . 1 1 47 47 GLY HA3 H 1 4.008 0.015 1 2 . . . . 47 GLY HA3 . 15813 1 552 . 1 1 47 47 GLY C C 13 174.852 0.15 1 1 . . . . 47 GLY C . 15813 1 553 . 1 1 47 47 GLY CA C 13 45.765 0.15 1 1 . . . . 47 GLY CA . 15813 1 554 . 1 1 47 47 GLY N N 15 114.125 0.002 3 1 . . . . 47 GLY N . 15813 1 555 . 1 1 48 48 LYS H H 1 8.070 0.015 3 1 . . . . 48 LYS H . 15813 1 556 . 1 1 48 48 LYS HA H 1 4.567 0.005 2 1 . . . . 48 LYS HA . 15813 1 557 . 1 1 48 48 LYS HB2 H 1 2.103 0.015 1 2 . . . . 48 LYS HB2 . 15813 1 558 . 1 1 48 48 LYS HB3 H 1 1.742 0.015 1 2 . . . . 48 LYS HB3 . 15813 1 559 . 1 1 48 48 LYS HD2 H 1 1.484 . . . . . . . 48 LYS HD2 . 15813 1 560 . 1 1 48 48 LYS HD3 H 1 1.484 . . . . . . . 48 LYS HD3 . 15813 1 561 . 1 1 48 48 LYS HE2 H 1 2.952 . . . . . . . 48 LYS HE2 . 15813 1 562 . 1 1 48 48 LYS HE3 H 1 2.659 . . . . . . . 48 LYS HE3 . 15813 1 563 . 1 1 48 48 LYS HG2 H 1 1.262 . . . . . . . 48 LYS HG2 . 15813 1 564 . 1 1 48 48 LYS HG3 H 1 1.262 . . . . . . . 48 LYS HG3 . 15813 1 565 . 1 1 48 48 LYS C C 13 175.977 0.15 1 1 . . . . 48 LYS C . 15813 1 566 . 1 1 48 48 LYS CA C 13 54.390 0.15 1 1 . . . . 48 LYS CA . 15813 1 567 . 1 1 48 48 LYS CB C 13 32.120 0.15 1 1 . . . . 48 LYS CB . 15813 1 568 . 1 1 48 48 LYS CD C 13 42.21 . . . . . . . 48 LYS CD . 15813 1 569 . 1 1 48 48 LYS CG C 13 24.422 0.15 1 1 . . . . 48 LYS CG . 15813 1 570 . 1 1 48 48 LYS N N 15 119.304 0.000 3 1 . . . . 48 LYS N . 15813 1 571 . 1 1 49 49 VAL H H 1 8.069 0.001 3 1 . . . . 49 VAL H . 15813 1 572 . 1 1 49 49 VAL HA H 1 3.281 0.047 2 1 . . . . 49 VAL HA . 15813 1 573 . 1 1 49 49 VAL HB H 1 1.837 . . . . . . . 49 VAL HB . 15813 1 574 . 1 1 49 49 VAL HG11 H 1 0.823 0.015 1 2 . . . . 49 VAL HG11 . 15813 1 575 . 1 1 49 49 VAL HG12 H 1 0.823 0.015 1 2 . . . . 49 VAL HG12 . 15813 1 576 . 1 1 49 49 VAL HG13 H 1 0.823 0.015 1 2 . . . . 49 VAL HG13 . 15813 1 577 . 1 1 49 49 VAL HG21 H 1 0.648 0.015 1 2 . . . . 49 VAL HG21 . 15813 1 578 . 1 1 49 49 VAL HG22 H 1 0.648 0.015 1 2 . . . . 49 VAL HG22 . 15813 1 579 . 1 1 49 49 VAL HG23 H 1 0.648 0.015 1 2 . . . . 49 VAL HG23 . 15813 1 580 . 1 1 49 49 VAL C C 13 173.678 0.15 1 1 . . . . 49 VAL C . 15813 1 581 . 1 1 49 49 VAL CA C 13 59.762 0.15 1 1 . . . . 49 VAL CA . 15813 1 582 . 1 1 49 49 VAL CB C 13 32.239 0.15 1 1 . . . . 49 VAL CB . 15813 1 583 . 1 1 49 49 VAL CG1 C 13 22.395 0.15 1 2 . . . . 49 VAL CG1 . 15813 1 584 . 1 1 49 49 VAL CG2 C 13 21.392 0.15 1 2 . . . . 49 VAL CG2 . 15813 1 585 . 1 1 49 49 VAL N N 15 123.694 0.004 3 1 . . . . 49 VAL N . 15813 1 586 . 1 1 50 50 PRO HA H 1 4.100 0.015 1 1 . . . . 50 PRO HA . 15813 1 587 . 1 1 50 50 PRO HB2 H 1 1.596 0.015 1 2 . . . . 50 PRO HB2 . 15813 1 588 . 1 1 50 50 PRO HB3 H 1 1.303 0.015 1 2 . . . . 50 PRO HB3 . 15813 1 589 . 1 1 50 50 PRO HG2 H 1 3.021 0.015 1 2 . . . . 50 PRO HG2 . 15813 1 590 . 1 1 50 50 PRO HG3 H 1 2.924 0.015 1 2 . . . . 50 PRO HG3 . 15813 1 591 . 1 1 50 50 PRO CA C 13 57.967 0.15 1 1 . . . . 50 PRO CA . 15813 1 592 . 1 1 50 50 PRO CB C 13 31.035 0.15 1 1 . . . . 50 PRO CB . 15813 1 593 . 1 1 51 51 MET HA H 1 4.295 0.015 1 1 . . . . 51 MET HA . 15813 1 594 . 1 1 51 51 MET HB2 H 1 2.376 0.015 1 2 . . . . 51 MET HB2 . 15813 1 595 . 1 1 51 51 MET HB3 H 1 1.882 0.015 1 2 . . . . 51 MET HB3 . 15813 1 596 . 1 1 51 51 MET HE1 H 1 1.938 0.015 1 1 . . . . 51 MET HE1 . 15813 1 597 . 1 1 51 51 MET HE2 H 1 1.938 0.015 1 1 . . . . 51 MET HE2 . 15813 1 598 . 1 1 51 51 MET HE3 H 1 1.938 0.015 1 1 . . . . 51 MET HE3 . 15813 1 599 . 1 1 51 51 MET HG2 H 1 2.599 . . . . . . . 51 MET HG2 . 15813 1 600 . 1 1 51 51 MET C C 13 178.200 0.15 1 1 . . . . 51 MET C . 15813 1 601 . 1 1 51 51 MET CA C 13 62.70 . . . . . . . 51 MET CA . 15813 1 602 . 1 1 51 51 MET CB C 13 32.650 0.15 1 1 . . . . 51 MET CB . 15813 1 603 . 1 1 51 51 MET CE C 13 16.118 0.15 1 1 . . . . 51 MET CE . 15813 1 604 . 1 1 52 52 ASN H H 1 8.829 0.003 2 1 . . . . 52 ASN H . 15813 1 605 . 1 1 52 52 ASN HA H 1 4.377 0.015 1 1 . . . . 52 ASN HA . 15813 1 606 . 1 1 52 52 ASN HB2 H 1 2.759 0.015 1 2 . . . . 52 ASN HB2 . 15813 1 607 . 1 1 52 52 ASN HB3 H 1 2.759 . . . . . . . 52 ASN HB3 . 15813 1 608 . 1 1 52 52 ASN HD21 H 1 7.621 . . . . . . . 52 ASN HD21 . 15813 1 609 . 1 1 52 52 ASN HD22 H 1 7.121 0.379 3 2 . . . . 52 ASN HD22 . 15813 1 610 . 1 1 52 52 ASN C C 13 177.634 0.15 1 1 . . . . 52 ASN C . 15813 1 611 . 1 1 52 52 ASN CA C 13 56.866 0.15 1 1 . . . . 52 ASN CA . 15813 1 612 . 1 1 52 52 ASN CB C 13 36.510 0.15 1 1 . . . . 52 ASN CB . 15813 1 613 . 1 1 52 52 ASN CG C 13 176.684 0.15 1 1 . . . . 52 ASN CG . 15813 1 614 . 1 1 52 52 ASN N N 15 123.452 0.001 2 1 . . . . 52 ASN N . 15813 1 615 . 1 1 52 52 ASN ND2 N 15 113.704 0.000 1 1 . . . . 52 ASN ND2 . 15813 1 616 . 1 1 53 53 ILE H H 1 7.162 0.003 3 1 . . . . 53 ILE H . 15813 1 617 . 1 1 53 53 ILE HA H 1 3.839 0.008 3 1 . . . . 53 ILE HA . 15813 1 618 . 1 1 53 53 ILE HB H 1 1.823 0.015 2 1 . . . . 53 ILE HB . 15813 1 619 . 1 1 53 53 ILE HD11 H 1 0.806 0.015 1 1 . . . . 53 ILE HD11 . 15813 1 620 . 1 1 53 53 ILE HD12 H 1 0.806 0.015 1 1 . . . . 53 ILE HD12 . 15813 1 621 . 1 1 53 53 ILE HD13 H 1 0.806 0.015 1 1 . . . . 53 ILE HD13 . 15813 1 622 . 1 1 53 53 ILE HG12 H 1 0.818 0.015 1 2 . . . . 53 ILE HG12 . 15813 1 623 . 1 1 53 53 ILE HG13 H 1 0.818 0.015 1 2 . . . . 53 ILE HG13 . 15813 1 624 . 1 1 53 53 ILE HG21 H 1 0.742 0.015 1 1 . . . . 53 ILE HG21 . 15813 1 625 . 1 1 53 53 ILE HG22 H 1 0.742 0.015 1 1 . . . . 53 ILE HG22 . 15813 1 626 . 1 1 53 53 ILE HG23 H 1 0.742 0.015 1 1 . . . . 53 ILE HG23 . 15813 1 627 . 1 1 53 53 ILE C C 13 177.737 0.15 1 1 . . . . 53 ILE C . 15813 1 628 . 1 1 53 53 ILE CA C 13 63.379 0.035 2 1 . . . . 53 ILE CA . 15813 1 629 . 1 1 53 53 ILE CB C 13 36.955 0.053 2 1 . . . . 53 ILE CB . 15813 1 630 . 1 1 53 53 ILE CD1 C 13 11.689 0.15 1 1 . . . . 53 ILE CD1 . 15813 1 631 . 1 1 53 53 ILE CG2 C 13 16.924 0.15 1 1 . . . . 53 ILE CG2 . 15813 1 632 . 1 1 53 53 ILE N N 15 121.581 0.002 3 1 . . . . 53 ILE N . 15813 1 633 . 1 1 54 54 VAL H H 1 7.494 0.005 3 1 . . . . 54 VAL H . 15813 1 634 . 1 1 54 54 VAL HA H 1 3.470 0.015 1 1 . . . . 54 VAL HA . 15813 1 635 . 1 1 54 54 VAL HB H 1 2.300 0.015 1 1 . . . . 54 VAL HB . 15813 1 636 . 1 1 54 54 VAL HG11 H 1 0.903 0.015 1 2 . . . . 54 VAL HG11 . 15813 1 637 . 1 1 54 54 VAL HG12 H 1 0.903 0.015 1 2 . . . . 54 VAL HG12 . 15813 1 638 . 1 1 54 54 VAL HG13 H 1 0.903 0.015 1 2 . . . . 54 VAL HG13 . 15813 1 639 . 1 1 54 54 VAL HG21 H 1 0.901 0.015 1 2 . . . . 54 VAL HG21 . 15813 1 640 . 1 1 54 54 VAL HG22 H 1 0.901 0.015 1 2 . . . . 54 VAL HG22 . 15813 1 641 . 1 1 54 54 VAL HG23 H 1 0.901 0.015 1 2 . . . . 54 VAL HG23 . 15813 1 642 . 1 1 54 54 VAL C C 13 177.942 0.15 1 1 . . . . 54 VAL C . 15813 1 643 . 1 1 54 54 VAL CA C 13 67.328 0.021 2 1 . . . . 54 VAL CA . 15813 1 644 . 1 1 54 54 VAL CB C 13 31.351 0.15 1 1 . . . . 54 VAL CB . 15813 1 645 . 1 1 54 54 VAL CG1 C 13 21.770 0.15 1 2 . . . . 54 VAL CG1 . 15813 1 646 . 1 1 54 54 VAL CG2 C 13 21.177 0.15 1 2 . . . . 54 VAL CG2 . 15813 1 647 . 1 1 54 54 VAL N N 15 120.799 0.029 3 1 . . . . 54 VAL N . 15813 1 648 . 1 1 55 55 ALA H H 1 8.864 0.001 3 1 . . . . 55 ALA H . 15813 1 649 . 1 1 55 55 ALA HA H 1 3.888 0.001 2 1 . . . . 55 ALA HA . 15813 1 650 . 1 1 55 55 ALA HB1 H 1 1.425 0.008 2 1 . . . . 55 ALA HB1 . 15813 1 651 . 1 1 55 55 ALA HB2 H 1 1.425 0.008 2 1 . . . . 55 ALA HB2 . 15813 1 652 . 1 1 55 55 ALA HB3 H 1 1.425 0.008 2 1 . . . . 55 ALA HB3 . 15813 1 653 . 1 1 55 55 ALA C C 13 180.416 0.15 1 1 . . . . 55 ALA C . 15813 1 654 . 1 1 55 55 ALA CA C 13 55.490 0.15 1 1 . . . . 55 ALA CA . 15813 1 655 . 1 1 55 55 ALA CB C 13 17.841 0.036 2 1 . . . . 55 ALA CB . 15813 1 656 . 1 1 55 55 ALA N N 15 120.738 0.002 3 1 . . . . 55 ALA N . 15813 1 657 . 1 1 56 56 GLN H H 1 7.666 0.004 3 1 . . . . 56 GLN H . 15813 1 658 . 1 1 56 56 GLN HA H 1 4.060 0.008 2 1 . . . . 56 GLN HA . 15813 1 659 . 1 1 56 56 GLN HB2 H 1 2.208 0.015 1 2 . . . . 56 GLN HB2 . 15813 1 660 . 1 1 56 56 GLN HB3 H 1 2.208 . . . . . . . 56 GLN HB3 . 15813 1 661 . 1 1 56 56 GLN HE21 H 1 7.383 0.015 1 2 . . . . 56 GLN HE21 . 15813 1 662 . 1 1 56 56 GLN HE22 H 1 6.774 0.008 2 2 . . . . 56 GLN HE22 . 15813 1 663 . 1 1 56 56 GLN HG2 H 1 2.542 . . . . . . . 56 GLN HG2 . 15813 1 664 . 1 1 56 56 GLN HG3 H 1 2.345 . . . . . . . 56 GLN HG3 . 15813 1 665 . 1 1 56 56 GLN C C 13 178.102 0.15 1 1 . . . . 56 GLN C . 15813 1 666 . 1 1 56 56 GLN CA C 13 59.319 0.15 1 1 . . . . 56 GLN CA . 15813 1 667 . 1 1 56 56 GLN CB C 13 28.774 0.004 2 1 . . . . 56 GLN CB . 15813 1 668 . 1 1 56 56 GLN CD C 13 179.982 0.15 1 1 . . . . 56 GLN CD . 15813 1 669 . 1 1 56 56 GLN CG C 13 33.734 0.15 1 1 . . . . 56 GLN CG . 15813 1 670 . 1 1 56 56 GLN N N 15 118.538 0.004 3 1 . . . . 56 GLN N . 15813 1 671 . 1 1 56 56 GLN NE2 N 15 111.157 0.003 2 1 . . . . 56 GLN NE2 . 15813 1 672 . 1 1 57 57 ARG H H 1 7.997 0.015 3 1 . . . . 57 ARG H . 15813 1 673 . 1 1 57 57 ARG HA H 1 4.086 0.001 2 1 . . . . 57 ARG HA . 15813 1 674 . 1 1 57 57 ARG HB2 H 1 1.590 0.015 1 2 . . . . 57 ARG HB2 . 15813 1 675 . 1 1 57 57 ARG HB3 H 1 1.305 0.015 1 2 . . . . 57 ARG HB3 . 15813 1 676 . 1 1 57 57 ARG HD2 H 1 3.245 . . . . . . . 57 ARG HD2 . 15813 1 677 . 1 1 57 57 ARG HD3 H 1 2.945 . . . . . . . 57 ARG HD3 . 15813 1 678 . 1 1 57 57 ARG HG2 H 1 1.530 . . . . . . . 57 ARG HG2 . 15813 1 679 . 1 1 57 57 ARG HG3 H 1 1.530 . . . . . . . 57 ARG HG3 . 15813 1 680 . 1 1 57 57 ARG C C 13 177.952 0.15 1 1 . . . . 57 ARG C . 15813 1 681 . 1 1 57 57 ARG CA C 13 57.953 0.15 1 1 . . . . 57 ARG CA . 15813 1 682 . 1 1 57 57 ARG CB C 13 30.973 0.15 1 1 . . . . 57 ARG CB . 15813 1 683 . 1 1 57 57 ARG CD C 13 42.83 . . . . . . . 57 ARG CD . 15813 1 684 . 1 1 57 57 ARG N N 15 116.604 0.006 3 1 . . . . 57 ARG N . 15813 1 685 . 1 1 58 58 TYR H H 1 8.605 0.001 3 1 . . . . 58 TYR H . 15813 1 686 . 1 1 58 58 TYR HA H 1 4.702 0.009 2 1 . . . . 58 TYR HA . 15813 1 687 . 1 1 58 58 TYR HB2 H 1 3.251 0.015 1 2 . . . . 58 TYR HB2 . 15813 1 688 . 1 1 58 58 TYR HB3 H 1 2.577 0.015 1 2 . . . . 58 TYR HB3 . 15813 1 689 . 1 1 58 58 TYR HD1 H 1 7.183 . . . . . . . 58 TYR HD1 . 15813 1 690 . 1 1 58 58 TYR HD2 H 1 7.183 . . . . . . . 58 TYR HD2 . 15813 1 691 . 1 1 58 58 TYR C C 13 175.879 0.15 1 1 . . . . 58 TYR C . 15813 1 692 . 1 1 58 58 TYR CA C 13 58.937 0.15 1 1 . . . . 58 TYR CA . 15813 1 693 . 1 1 58 58 TYR CB C 13 39.483 0.15 1 1 . . . . 58 TYR CB . 15813 1 694 . 1 1 58 58 TYR CD1 C 13 133.3 . . . . . . . 58 TYR CD1 . 15813 1 695 . 1 1 58 58 TYR CD2 C 13 133.3 . . . . . . . 58 TYR CD2 . 15813 1 696 . 1 1 58 58 TYR N N 15 114.171 0.010 3 1 . . . . 58 TYR N . 15813 1 697 . 1 1 59 59 GLY H H 1 8.139 0.001 3 1 . . . . 59 GLY H . 15813 1 698 . 1 1 59 59 GLY HA2 H 1 4.203 0.005 2 2 . . . . 59 GLY HA2 . 15813 1 699 . 1 1 59 59 GLY HA3 H 1 3.564 0.015 1 2 . . . . 59 GLY HA3 . 15813 1 700 . 1 1 59 59 GLY C C 13 175.178 0.15 1 1 . . . . 59 GLY C . 15813 1 701 . 1 1 59 59 GLY CA C 13 48.730 0.15 1 1 . . . . 59 GLY CA . 15813 1 702 . 1 1 59 59 GLY N N 15 109.072 0.001 3 1 . . . . 59 GLY N . 15813 1 703 . 1 1 60 60 ALA H H 1 8.511 0.015 2 1 . . . . 60 ALA H . 15813 1 704 . 1 1 60 60 ALA HA H 1 4.130 0.015 1 1 . . . . 60 ALA HA . 15813 1 705 . 1 1 60 60 ALA HB1 H 1 1.418 0.001 2 1 . . . . 60 ALA HB1 . 15813 1 706 . 1 1 60 60 ALA HB2 H 1 1.418 0.001 2 1 . . . . 60 ALA HB2 . 15813 1 707 . 1 1 60 60 ALA HB3 H 1 1.418 0.001 2 1 . . . . 60 ALA HB3 . 15813 1 708 . 1 1 60 60 ALA C C 13 180.316 0.15 1 1 . . . . 60 ALA C . 15813 1 709 . 1 1 60 60 ALA CA C 13 55.570 0.15 1 1 . . . . 60 ALA CA . 15813 1 710 . 1 1 60 60 ALA CB C 13 17.878 0.15 1 1 . . . . 60 ALA CB . 15813 1 711 . 1 1 60 60 ALA N N 15 123.010 0.007 2 1 . . . . 60 ALA N . 15813 1 712 . 1 1 61 61 SER H H 1 8.053 0.015 3 1 . . . . 61 SER H . 15813 1 713 . 1 1 61 61 SER HA H 1 4.178 0.013 2 1 . . . . 61 SER HA . 15813 1 714 . 1 1 61 61 SER HB2 H 1 3.989 0.015 1 2 . . . . 61 SER HB2 . 15813 1 715 . 1 1 61 61 SER HB3 H 1 3.989 0.015 1 2 . . . . 61 SER HB3 . 15813 1 716 . 1 1 61 61 SER C C 13 176.900 0.15 1 1 . . . . 61 SER C . 15813 1 717 . 1 1 61 61 SER CA C 13 61.153 0.15 1 1 . . . . 61 SER CA . 15813 1 718 . 1 1 61 61 SER CB C 13 62.631 0.15 1 1 . . . . 61 SER CB . 15813 1 719 . 1 1 61 61 SER N N 15 115.237 0.006 3 1 . . . . 61 SER N . 15813 1 720 . 1 1 62 62 VAL H H 1 8.386 0.002 3 1 . . . . 62 VAL H . 15813 1 721 . 1 1 62 62 VAL HA H 1 3.868 0.009 3 1 . . . . 62 VAL HA . 15813 1 722 . 1 1 62 62 VAL HB H 1 2.086 0.015 1 1 . . . . 62 VAL HB . 15813 1 723 . 1 1 62 62 VAL HG11 H 1 1.071 0.015 1 2 . . . . 62 VAL HG11 . 15813 1 724 . 1 1 62 62 VAL HG12 H 1 1.071 0.015 1 2 . . . . 62 VAL HG12 . 15813 1 725 . 1 1 62 62 VAL HG13 H 1 1.071 0.015 1 2 . . . . 62 VAL HG13 . 15813 1 726 . 1 1 62 62 VAL HG21 H 1 0.913 0.015 1 2 . . . . 62 VAL HG21 . 15813 1 727 . 1 1 62 62 VAL HG22 H 1 0.913 0.015 1 2 . . . . 62 VAL HG22 . 15813 1 728 . 1 1 62 62 VAL HG23 H 1 0.913 0.015 1 2 . . . . 62 VAL HG23 . 15813 1 729 . 1 1 62 62 VAL C C 13 177.682 0.15 1 1 . . . . 62 VAL C . 15813 1 730 . 1 1 62 62 VAL CA C 13 66.058 0.015 2 1 . . . . 62 VAL CA . 15813 1 731 . 1 1 62 62 VAL CB C 13 31.531 0.15 1 1 . . . . 62 VAL CB . 15813 1 732 . 1 1 62 62 VAL CG1 C 13 23.823 0.15 1 2 . . . . 62 VAL CG1 . 15813 1 733 . 1 1 62 62 VAL CG2 C 13 22.809 0.15 1 2 . . . . 62 VAL CG2 . 15813 1 734 . 1 1 62 62 VAL N N 15 122.508 0.002 3 1 . . . . 62 VAL N . 15813 1 735 . 1 1 63 63 ARG H H 1 8.279 0.003 3 1 . . . . 63 ARG H . 15813 1 736 . 1 1 63 63 ARG HA H 1 3.589 0.015 2 1 . . . . 63 ARG HA . 15813 1 737 . 1 1 63 63 ARG HB2 H 1 1.806 0.015 1 2 . . . . 63 ARG HB2 . 15813 1 738 . 1 1 63 63 ARG HB3 H 1 1.736 0.015 1 2 . . . . 63 ARG HB3 . 15813 1 739 . 1 1 63 63 ARG HD2 H 1 3.609 . . . . . . . 63 ARG HD2 . 15813 1 740 . 1 1 63 63 ARG HD3 H 1 3.609 . . . . . . . 63 ARG HD3 . 15813 1 741 . 1 1 63 63 ARG HG2 H 1 1.768 . . . . . . . 63 ARG HG2 . 15813 1 742 . 1 1 63 63 ARG HG3 H 1 1.276 . . . . . . . 63 ARG HG3 . 15813 1 743 . 1 1 63 63 ARG C C 13 176.996 0.15 1 1 . . . . 63 ARG C . 15813 1 744 . 1 1 63 63 ARG CA C 13 60.754 0.15 1 1 . . . . 63 ARG CA . 15813 1 745 . 1 1 63 63 ARG CB C 13 29.660 0.15 1 1 . . . . 63 ARG CB . 15813 1 746 . 1 1 63 63 ARG N N 15 118.575 0.003 3 1 . . . . 63 ARG N . 15813 1 747 . 1 1 64 64 GLN H H 1 7.444 0.015 3 1 . . . . 64 GLN H . 15813 1 748 . 1 1 64 64 GLN HA H 1 3.765 0.035 2 1 . . . . 64 GLN HA . 15813 1 749 . 1 1 64 64 GLN HB2 H 1 2.117 0.015 1 2 . . . . 64 GLN HB2 . 15813 1 750 . 1 1 64 64 GLN HB3 H 1 2.117 . . . . . . . 64 GLN HB3 . 15813 1 751 . 1 1 64 64 GLN HE21 H 1 7.494 0.001 2 2 . . . . 64 GLN HE21 . 15813 1 752 . 1 1 64 64 GLN HE22 H 1 6.697 0.001 2 2 . . . . 64 GLN HE22 . 15813 1 753 . 1 1 64 64 GLN HG2 H 1 2.378 . . . . . . . 64 GLN HG2 . 15813 1 754 . 1 1 64 64 GLN HG3 H 1 2.105 . . . . . . . 64 GLN HG3 . 15813 1 755 . 1 1 64 64 GLN C C 13 178.609 0.15 1 1 . . . . 64 GLN C . 15813 1 756 . 1 1 64 64 GLN CA C 13 59.246 0.15 1 1 . . . . 64 GLN CA . 15813 1 757 . 1 1 64 64 GLN CB C 13 28.267 0.075 2 1 . . . . 64 GLN CB . 15813 1 758 . 1 1 64 64 GLN CD C 13 180.159 0.15 1 1 . . . . 64 GLN CD . 15813 1 759 . 1 1 64 64 GLN CG C 13 33.613 0.15 1 1 . . . . 64 GLN CG . 15813 1 760 . 1 1 64 64 GLN N N 15 116.169 0.007 3 1 . . . . 64 GLN N . 15813 1 761 . 1 1 64 64 GLN NE2 N 15 111.784 0.021 3 1 . . . . 64 GLN NE2 . 15813 1 762 . 1 1 65 65 ASP H H 1 7.847 0.002 3 1 . . . . 65 ASP H . 15813 1 763 . 1 1 65 65 ASP HA H 1 4.310 0.006 2 1 . . . . 65 ASP HA . 15813 1 764 . 1 1 65 65 ASP HB2 H 1 2.838 0.015 1 2 . . . . 65 ASP HB2 . 15813 1 765 . 1 1 65 65 ASP HB3 H 1 2.679 0.015 1 2 . . . . 65 ASP HB3 . 15813 1 766 . 1 1 65 65 ASP C C 13 179.189 0.15 1 1 . . . . 65 ASP C . 15813 1 767 . 1 1 65 65 ASP CA C 13 57.591 0.15 1 1 . . . . 65 ASP CA . 15813 1 768 . 1 1 65 65 ASP CB C 13 40.241 0.15 1 1 . . . . 65 ASP CB . 15813 1 769 . 1 1 65 65 ASP N N 15 121.702 0.002 3 1 . . . . 65 ASP N . 15813 1 770 . 1 1 66 66 VAL H H 1 8.719 0.003 3 1 . . . . 66 VAL H . 15813 1 771 . 1 1 66 66 VAL HA H 1 3.693 0.015 1 1 . . . . 66 VAL HA . 15813 1 772 . 1 1 66 66 VAL HB H 1 1.984 0.015 1 1 . . . . 66 VAL HB . 15813 1 773 . 1 1 66 66 VAL HG11 H 1 0.909 0.015 1 2 . . . . 66 VAL HG11 . 15813 1 774 . 1 1 66 66 VAL HG12 H 1 0.909 0.015 1 2 . . . . 66 VAL HG12 . 15813 1 775 . 1 1 66 66 VAL HG13 H 1 0.909 0.015 1 2 . . . . 66 VAL HG13 . 15813 1 776 . 1 1 66 66 VAL C C 13 177.925 0.15 1 1 . . . . 66 VAL C . 15813 1 777 . 1 1 66 66 VAL CA C 13 65.855 0.001 2 1 . . . . 66 VAL CA . 15813 1 778 . 1 1 66 66 VAL CB C 13 31.450 0.15 1 1 . . . . 66 VAL CB . 15813 1 779 . 1 1 66 66 VAL CG1 C 13 23.217 0.15 1 2 . . . . 66 VAL CG1 . 15813 1 780 . 1 1 66 66 VAL CG2 C 13 22.180 0.15 1 2 . . . . 66 VAL CG2 . 15813 1 781 . 1 1 66 66 VAL N N 15 121.633 0.007 3 1 . . . . 66 VAL N . 15813 1 782 . 1 1 67 67 LEU H H 1 8.262 0.004 3 1 . . . . 67 LEU H . 15813 1 783 . 1 1 67 67 LEU HA H 1 3.598 0.015 1 1 . . . . 67 LEU HA . 15813 1 784 . 1 1 67 67 LEU HB2 H 1 1.478 0.015 2 2 . . . . 67 LEU HB2 . 15813 1 785 . 1 1 67 67 LEU HB3 H 1 0.912 0.006 2 2 . . . . 67 LEU HB3 . 15813 1 786 . 1 1 67 67 LEU HD11 H 1 0.027 0.015 1 2 . . . . 67 LEU HD11 . 15813 1 787 . 1 1 67 67 LEU HD12 H 1 0.027 0.015 1 2 . . . . 67 LEU HD12 . 15813 1 788 . 1 1 67 67 LEU HD13 H 1 0.027 0.015 1 2 . . . . 67 LEU HD13 . 15813 1 789 . 1 1 67 67 LEU HD21 H 1 -0.138 0.015 1 2 . . . . 67 LEU HD21 . 15813 1 790 . 1 1 67 67 LEU HD22 H 1 -0.138 0.015 1 2 . . . . 67 LEU HD22 . 15813 1 791 . 1 1 67 67 LEU HD23 H 1 -0.138 0.015 1 2 . . . . 67 LEU HD23 . 15813 1 792 . 1 1 67 67 LEU HG H 1 1.183 0.002 2 1 . . . . 67 LEU HG . 15813 1 793 . 1 1 67 67 LEU C C 13 178.974 0.15 1 1 . . . . 67 LEU C . 15813 1 794 . 1 1 67 67 LEU CA C 13 58.357 0.033 2 1 . . . . 67 LEU CA . 15813 1 795 . 1 1 67 67 LEU CB C 13 41.191 0.15 1 1 . . . . 67 LEU CB . 15813 1 796 . 1 1 67 67 LEU CD1 C 13 24.061 0.15 1 2 . . . . 67 LEU CD1 . 15813 1 797 . 1 1 67 67 LEU CD2 C 13 22.253 0.15 1 2 . . . . 67 LEU CD2 . 15813 1 798 . 1 1 67 67 LEU CG C 13 26.407 0.15 1 1 . . . . 67 LEU CG . 15813 1 799 . 1 1 67 67 LEU N N 15 119.724 0.006 3 1 . . . . 67 LEU N . 15813 1 800 . 1 1 68 68 GLY H H 1 7.628 0.004 3 1 . . . . 68 GLY H . 15813 1 801 . 1 1 68 68 GLY HA2 H 1 3.482 0.015 1 2 . . . . 68 GLY HA2 . 15813 1 802 . 1 1 68 68 GLY HA3 H 1 3.482 . . . . . . . 68 GLY HA3 . 15813 1 803 . 1 1 68 68 GLY C C 13 176.280 0.15 1 1 . . . . 68 GLY C . 15813 1 804 . 1 1 68 68 GLY CA C 13 47.590 0.15 1 1 . . . . 68 GLY CA . 15813 1 805 . 1 1 68 68 GLY N N 15 104.878 0.009 3 1 . . . . 68 GLY N . 15813 1 806 . 1 1 69 69 ASP H H 1 7.707 0.003 3 1 . . . . 69 ASP H . 15813 1 807 . 1 1 69 69 ASP HA H 1 4.362 0.008 2 1 . . . . 69 ASP HA . 15813 1 808 . 1 1 69 69 ASP HB2 H 1 2.704 0.015 1 2 . . . . 69 ASP HB2 . 15813 1 809 . 1 1 69 69 ASP HB3 H 1 2.704 . . . . . . . 69 ASP HB3 . 15813 1 810 . 1 1 69 69 ASP C C 13 178.393 0.15 1 1 . . . . 69 ASP C . 15813 1 811 . 1 1 69 69 ASP CA C 13 57.491 0.15 1 1 . . . . 69 ASP CA . 15813 1 812 . 1 1 69 69 ASP CB C 13 41.592 0.15 1 1 . . . . 69 ASP CB . 15813 1 813 . 1 1 69 69 ASP N N 15 123.081 0.002 3 1 . . . . 69 ASP N . 15813 1 814 . 1 1 70 70 LEU H H 1 8.933 0.002 3 1 . . . . 70 LEU H . 15813 1 815 . 1 1 70 70 LEU HA H 1 3.969 0.015 1 1 . . . . 70 LEU HA . 15813 1 816 . 1 1 70 70 LEU HB2 H 1 1.408 0.283 3 2 . . . . 70 LEU HB2 . 15813 1 817 . 1 1 70 70 LEU HB3 H 1 1.202 0.015 0 2 . . . . 70 LEU HB3 . 15813 1 818 . 1 1 70 70 LEU HD11 H 1 0.672 0.015 1 2 . . . . 70 LEU HD11 . 15813 1 819 . 1 1 70 70 LEU HD12 H 1 0.672 0.015 1 2 . . . . 70 LEU HD12 . 15813 1 820 . 1 1 70 70 LEU HD13 H 1 0.672 0.015 1 2 . . . . 70 LEU HD13 . 15813 1 821 . 1 1 70 70 LEU HD21 H 1 0.730 0.015 1 2 . . . . 70 LEU HD21 . 15813 1 822 . 1 1 70 70 LEU HD22 H 1 0.730 0.015 1 2 . . . . 70 LEU HD22 . 15813 1 823 . 1 1 70 70 LEU HD23 H 1 0.730 0.015 1 2 . . . . 70 LEU HD23 . 15813 1 824 . 1 1 70 70 LEU HG H 1 1.873 0.015 1 1 . . . . 70 LEU HG . 15813 1 825 . 1 1 70 70 LEU C C 13 181.076 0.15 1 1 . . . . 70 LEU C . 15813 1 826 . 1 1 70 70 LEU CA C 13 57.945 0.15 1 1 . . . . 70 LEU CA . 15813 1 827 . 1 1 70 70 LEU CB C 13 41.830 0.15 1 1 . . . . 70 LEU CB . 15813 1 828 . 1 1 70 70 LEU CD1 C 13 26.777 0.15 1 2 . . . . 70 LEU CD1 . 15813 1 829 . 1 1 70 70 LEU CD2 C 13 22.500 0.15 1 2 . . . . 70 LEU CD2 . 15813 1 830 . 1 1 70 70 LEU N N 15 118.539 0.001 3 1 . . . . 70 LEU N . 15813 1 831 . 1 1 71 71 MET H H 1 8.710 0.003 3 1 . . . . 71 MET H . 15813 1 832 . 1 1 71 71 MET HA H 1 3.925 0.015 1 1 . . . . 71 MET HA . 15813 1 833 . 1 1 71 71 MET HB2 H 1 1.998 . . . . . . . 71 MET HB2 . 15813 1 834 . 1 1 71 71 MET HB3 H 1 1.786 . . . . . . . 71 MET HB3 . 15813 1 835 . 1 1 71 71 MET HE1 H 1 1.800 0.015 1 1 . . . . 71 MET HE1 . 15813 1 836 . 1 1 71 71 MET HE2 H 1 1.800 0.015 1 1 . . . . 71 MET HE2 . 15813 1 837 . 1 1 71 71 MET HE3 H 1 1.800 0.015 1 1 . . . . 71 MET HE3 . 15813 1 838 . 1 1 71 71 MET HG2 H 1 2.511 . . . . . . . 71 MET HG2 . 15813 1 839 . 1 1 71 71 MET HG3 H 1 2.451 . . . . . . . 71 MET HG3 . 15813 1 840 . 1 1 71 71 MET C C 13 180.087 0.15 1 1 . . . . 71 MET C . 15813 1 841 . 1 1 71 71 MET CA C 13 59.011 0.15 1 1 . . . . 71 MET CA . 15813 1 842 . 1 1 71 71 MET CB C 13 34.908 0.15 1 1 . . . . 71 MET CB . 15813 1 843 . 1 1 71 71 MET CE C 13 16.308 0.15 1 1 . . . . 71 MET CE . 15813 1 844 . 1 1 71 71 MET N N 15 120.144 0.004 3 1 . . . . 71 MET N . 15813 1 845 . 1 1 72 72 SER H H 1 7.443 0.001 3 1 . . . . 72 SER H . 15813 1 846 . 1 1 72 72 SER HA H 1 5.029 0.016 3 1 . . . . 72 SER HA . 15813 1 847 . 1 1 72 72 SER HB2 H 1 3.960 0.015 1 2 . . . . 72 SER HB2 . 15813 1 848 . 1 1 72 72 SER HB3 H 1 3.960 0.015 1 2 . . . . 72 SER HB3 . 15813 1 849 . 1 1 72 72 SER C C 13 176.500 0.15 1 1 . . . . 72 SER C . 15813 1 850 . 1 1 72 72 SER CA C 13 60.666 0.15 1 1 . . . . 72 SER CA . 15813 1 851 . 1 1 72 72 SER CB C 13 62.915 0.15 1 1 . . . . 72 SER CB . 15813 1 852 . 1 1 72 72 SER N N 15 115.816 0.008 3 1 . . . . 72 SER N . 15813 1 853 . 1 1 73 73 ARG H H 1 8.631 0.004 3 1 . . . . 73 ARG H . 15813 1 854 . 1 1 73 73 ARG HA H 1 3.957 0.028 2 1 . . . . 73 ARG HA . 15813 1 855 . 1 1 73 73 ARG HB2 H 1 1.849 0.015 1 2 . . . . 73 ARG HB2 . 15813 1 856 . 1 1 73 73 ARG HB3 H 1 1.849 . . . . . . . 73 ARG HB3 . 15813 1 857 . 1 1 73 73 ARG HD2 H 1 3.282 . . . . . . . 73 ARG HD2 . 15813 1 858 . 1 1 73 73 ARG HD3 H 1 3.037 . . . . . . . 73 ARG HD3 . 15813 1 859 . 1 1 73 73 ARG HG2 H 1 1.825 . . . . . . . 73 ARG HG2 . 15813 1 860 . 1 1 73 73 ARG HG3 H 1 1.825 . . . . . . . 73 ARG HG3 . 15813 1 861 . 1 1 73 73 ARG C C 13 179.077 0.15 1 1 . . . . 73 ARG C . 15813 1 862 . 1 1 73 73 ARG CA C 13 59.937 0.15 1 1 . . . . 73 ARG CA . 15813 1 863 . 1 1 73 73 ARG CB C 13 30.715 0.15 1 1 . . . . 73 ARG CB . 15813 1 864 . 1 1 73 73 ARG CD C 13 43.65 . . . . . . . 73 ARG CD . 15813 1 865 . 1 1 73 73 ARG N N 15 121.124 0.020 3 1 . . . . 73 ARG N . 15813 1 866 . 1 1 74 74 ASN H H 1 8.340 0.002 3 1 . . . . 74 ASN H . 15813 1 867 . 1 1 74 74 ASN HA H 1 4.510 0.004 2 1 . . . . 74 ASN HA . 15813 1 868 . 1 1 74 74 ASN HB2 H 1 2.616 0.015 1 2 . . . . 74 ASN HB2 . 15813 1 869 . 1 1 74 74 ASN HB3 H 1 2.607 . . . . . . . 74 ASN HB3 . 15813 1 870 . 1 1 74 74 ASN C C 13 177.197 0.15 1 1 . . . . 74 ASN C . 15813 1 871 . 1 1 74 74 ASN CA C 13 57.157 0.15 1 1 . . . . 74 ASN CA . 15813 1 872 . 1 1 74 74 ASN CB C 13 39.646 0.15 1 1 . . . . 74 ASN CB . 15813 1 873 . 1 1 74 74 ASN N N 15 113.857 0.002 3 1 . . . . 74 ASN N . 15813 1 874 . 1 1 75 75 PHE H H 1 7.738 0.004 3 1 . . . . 75 PHE H . 15813 1 875 . 1 1 75 75 PHE HA H 1 4.390 0.019 2 1 . . . . 75 PHE HA . 15813 1 876 . 1 1 75 75 PHE HB2 H 1 3.719 . . . . . . . 75 PHE HB2 . 15813 1 877 . 1 1 75 75 PHE HB3 H 1 3.436 . . . . . . . 75 PHE HB3 . 15813 1 878 . 1 1 75 75 PHE HD1 H 1 7.116 . . . . . . . 75 PHE HD1 . 15813 1 879 . 1 1 75 75 PHE HD2 H 1 7.116 . . . . . . . 75 PHE HD2 . 15813 1 880 . 1 1 75 75 PHE HE1 H 1 6.618 . . . . . . . 75 PHE HE1 . 15813 1 881 . 1 1 75 75 PHE HE2 H 1 6.618 . . . . . . . 75 PHE HE2 . 15813 1 882 . 1 1 75 75 PHE C C 13 175.277 0.15 1 1 . . . . 75 PHE C . 15813 1 883 . 1 1 75 75 PHE CA C 13 61.158 0.15 1 1 . . . . 75 PHE CA . 15813 1 884 . 1 1 75 75 PHE CB C 13 39.900 0.15 1 1 . . . . 75 PHE CB . 15813 1 885 . 1 1 75 75 PHE CD1 C 13 133.4 . . . . . . . 75 PHE CD1 . 15813 1 886 . 1 1 75 75 PHE CD2 C 13 133.4 . . . . . . . 75 PHE CD2 . 15813 1 887 . 1 1 75 75 PHE CE1 C 13 118.0 . . . . . . . 75 PHE CE1 . 15813 1 888 . 1 1 75 75 PHE CE2 C 13 118.0 . . . . . . . 75 PHE CE2 . 15813 1 889 . 1 1 75 75 PHE N N 15 121.762 0.005 3 1 . . . . 75 PHE N . 15813 1 890 . 1 1 76 76 ILE H H 1 8.218 0.001 3 1 . . . . 76 ILE H . 15813 1 891 . 1 1 76 76 ILE HA H 1 3.330 0.015 1 1 . . . . 76 ILE HA . 15813 1 892 . 1 1 76 76 ILE HB H 1 1.948 0.001 2 1 . . . . 76 ILE HB . 15813 1 893 . 1 1 76 76 ILE HD11 H 1 0.896 0.015 1 1 . . . . 76 ILE HD11 . 15813 1 894 . 1 1 76 76 ILE HD12 H 1 0.896 0.015 1 1 . . . . 76 ILE HD12 . 15813 1 895 . 1 1 76 76 ILE HD13 H 1 0.896 0.015 1 1 . . . . 76 ILE HD13 . 15813 1 896 . 1 1 76 76 ILE HG12 H 1 0.868 0.015 1 2 . . . . 76 ILE HG12 . 15813 1 897 . 1 1 76 76 ILE HG13 H 1 0.891 0.015 1 2 . . . . 76 ILE HG13 . 15813 1 898 . 1 1 76 76 ILE HG21 H 1 0.877 0.015 1 1 . . . . 76 ILE HG21 . 15813 1 899 . 1 1 76 76 ILE HG22 H 1 0.877 0.015 1 1 . . . . 76 ILE HG22 . 15813 1 900 . 1 1 76 76 ILE HG23 H 1 0.877 0.015 1 1 . . . . 76 ILE HG23 . 15813 1 901 . 1 1 76 76 ILE C C 13 177.637 0.15 1 1 . . . . 76 ILE C . 15813 1 902 . 1 1 76 76 ILE CA C 13 63.786 0.067 2 1 . . . . 76 ILE CA . 15813 1 903 . 1 1 76 76 ILE CB C 13 36.946 0.007 2 1 . . . . 76 ILE CB . 15813 1 904 . 1 1 76 76 ILE CD1 C 13 17.496 0.15 1 1 . . . . 76 ILE CD1 . 15813 1 905 . 1 1 76 76 ILE CG2 C 13 17.496 0.15 1 1 . . . . 76 ILE CG2 . 15813 1 906 . 1 1 76 76 ILE N N 15 119.891 0.016 3 1 . . . . 76 ILE N . 15813 1 907 . 1 1 77 77 ASP H H 1 7.692 0.002 3 1 . . . . 77 ASP H . 15813 1 908 . 1 1 77 77 ASP HA H 1 4.300 . . . . . . . 77 ASP HA . 15813 1 909 . 1 1 77 77 ASP HB2 H 1 2.650 0.015 1 2 . . . . 77 ASP HB2 . 15813 1 910 . 1 1 77 77 ASP HB3 H 1 2.650 . . . . . . . 77 ASP HB3 . 15813 1 911 . 1 1 77 77 ASP C C 13 178.336 0.15 1 1 . . . . 77 ASP C . 15813 1 912 . 1 1 77 77 ASP CA C 13 57.752 0.15 1 1 . . . . 77 ASP CA . 15813 1 913 . 1 1 77 77 ASP CB C 13 41.228 0.15 1 1 . . . . 77 ASP CB . 15813 1 914 . 1 1 77 77 ASP N N 15 116.625 0.006 3 1 . . . . 77 ASP N . 15813 1 915 . 1 1 78 78 ALA H H 1 7.513 0.008 3 1 . . . . 78 ALA H . 15813 1 916 . 1 1 78 78 ALA HA H 1 4.195 0.046 2 1 . . . . 78 ALA HA . 15813 1 917 . 1 1 78 78 ALA HB1 H 1 1.459 0.005 2 1 . . . . 78 ALA HB1 . 15813 1 918 . 1 1 78 78 ALA HB2 H 1 1.459 0.005 2 1 . . . . 78 ALA HB2 . 15813 1 919 . 1 1 78 78 ALA HB3 H 1 1.459 0.005 2 1 . . . . 78 ALA HB3 . 15813 1 920 . 1 1 78 78 ALA C C 13 179.637 0.15 1 1 . . . . 78 ALA C . 15813 1 921 . 1 1 78 78 ALA CA C 13 55.283 0.15 1 1 . . . . 78 ALA CA . 15813 1 922 . 1 1 78 78 ALA CB C 13 18.658 0.069 2 1 . . . . 78 ALA CB . 15813 1 923 . 1 1 78 78 ALA N N 15 120.884 0.005 3 1 . . . . 78 ALA N . 15813 1 924 . 1 1 79 79 ILE H H 1 7.955 0.015 3 1 . . . . 79 ILE H . 15813 1 925 . 1 1 79 79 ILE HA H 1 3.728 0.006 2 1 . . . . 79 ILE HA . 15813 1 926 . 1 1 79 79 ILE HB H 1 1.946 0.009 2 1 . . . . 79 ILE HB . 15813 1 927 . 1 1 79 79 ILE HD11 H 1 0.357 0.015 1 1 . . . . 79 ILE HD11 . 15813 1 928 . 1 1 79 79 ILE HD12 H 1 0.357 0.015 1 1 . . . . 79 ILE HD12 . 15813 1 929 . 1 1 79 79 ILE HD13 H 1 0.357 0.015 1 1 . . . . 79 ILE HD13 . 15813 1 930 . 1 1 79 79 ILE HG12 H 1 1.059 0.015 1 2 . . . . 79 ILE HG12 . 15813 1 931 . 1 1 79 79 ILE HG13 H 1 0.851 0.015 1 2 . . . . 79 ILE HG13 . 15813 1 932 . 1 1 79 79 ILE HG21 H 1 0.300 0.015 1 1 . . . . 79 ILE HG21 . 15813 1 933 . 1 1 79 79 ILE HG22 H 1 0.300 0.015 1 1 . . . . 79 ILE HG22 . 15813 1 934 . 1 1 79 79 ILE HG23 H 1 0.300 0.015 1 1 . . . . 79 ILE HG23 . 15813 1 935 . 1 1 79 79 ILE C C 13 178.800 0.15 1 1 . . . . 79 ILE C . 15813 1 936 . 1 1 79 79 ILE CA C 13 64.996 0.15 1 1 . . . . 79 ILE CA . 15813 1 937 . 1 1 79 79 ILE CB C 13 36.317 0.15 1 1 . . . . 79 ILE CB . 15813 1 938 . 1 1 79 79 ILE CD1 C 13 13.533 0.15 1 1 . . . . 79 ILE CD1 . 15813 1 939 . 1 1 79 79 ILE CG2 C 13 19.121 0.15 1 1 . . . . 79 ILE CG2 . 15813 1 940 . 1 1 79 79 ILE N N 15 113.318 0.002 3 1 . . . . 79 ILE N . 15813 1 941 . 1 1 80 80 ILE H H 1 7.856 0.015 3 1 . . . . 80 ILE H . 15813 1 942 . 1 1 80 80 ILE HA H 1 4.270 0.012 2 1 . . . . 80 ILE HA . 15813 1 943 . 1 1 80 80 ILE HB H 1 1.906 0.015 1 2 . . . . 80 ILE HB . 15813 1 944 . 1 1 80 80 ILE HD11 H 1 0.781 0.015 1 1 . . . . 80 ILE HD11 . 15813 1 945 . 1 1 80 80 ILE HD12 H 1 0.781 0.015 1 1 . . . . 80 ILE HD12 . 15813 1 946 . 1 1 80 80 ILE HD13 H 1 0.781 0.015 1 1 . . . . 80 ILE HD13 . 15813 1 947 . 1 1 80 80 ILE HG12 H 1 1.907 0.015 1 1 . . . . 80 ILE HG12 . 15813 1 948 . 1 1 80 80 ILE HG13 H 1 1.715 0.015 1 2 . . . . 80 ILE HG13 . 15813 1 949 . 1 1 80 80 ILE HG21 H 1 1.100 0.015 1 1 . . . . 80 ILE HG21 . 15813 1 950 . 1 1 80 80 ILE HG22 H 1 1.100 0.015 1 1 . . . . 80 ILE HG22 . 15813 1 951 . 1 1 80 80 ILE HG23 H 1 1.100 0.015 1 1 . . . . 80 ILE HG23 . 15813 1 952 . 1 1 80 80 ILE C C 13 179.796 0.149 2 1 . . . . 80 ILE C . 15813 1 953 . 1 1 80 80 ILE CA C 13 64.547 0.15 1 1 . . . . 80 ILE CA . 15813 1 954 . 1 1 80 80 ILE CB C 13 37.728 0.15 1 1 . . . . 80 ILE CB . 15813 1 955 . 1 1 80 80 ILE CD1 C 13 13.340 0.15 1 1 . . . . 80 ILE CD1 . 15813 1 956 . 1 1 80 80 ILE N N 15 122.406 0.011 3 1 . . . . 80 ILE N . 15813 1 957 . 1 1 81 81 LYS H H 1 7.813 0.002 3 1 . . . . 81 LYS H . 15813 1 958 . 1 1 81 81 LYS HA H 1 4.001 0.015 1 1 . . . . 81 LYS HA . 15813 1 959 . 1 1 81 81 LYS HB2 H 1 1.916 0.015 1 2 . . . . 81 LYS HB2 . 15813 1 960 . 1 1 81 81 LYS HB3 H 1 1.916 . . . . . . . 81 LYS HB3 . 15813 1 961 . 1 1 81 81 LYS HG2 H 1 1.457 . . . . . . . 81 LYS HG2 . 15813 1 962 . 1 1 81 81 LYS HG3 H 1 1.457 . . . . . . . 81 LYS HG3 . 15813 1 963 . 1 1 81 81 LYS C C 13 178.402 0.15 1 1 . . . . 81 LYS C . 15813 1 964 . 1 1 81 81 LYS CA C 13 59.437 0.15 1 1 . . . . 81 LYS CA . 15813 1 965 . 1 1 81 81 LYS CB C 13 32.683 0.15 1 1 . . . . 81 LYS CB . 15813 1 966 . 1 1 81 81 LYS N N 15 121.421 0.051 3 1 . . . . 81 LYS N . 15813 1 967 . 1 1 82 82 GLU H H 1 7.986 0.001 3 1 . . . . 82 GLU H . 15813 1 968 . 1 1 82 82 GLU HA H 1 4.200 0.015 1 1 . . . . 82 GLU HA . 15813 1 969 . 1 1 82 82 GLU HB2 H 1 1.645 . . . . . . . 82 GLU HB2 . 15813 1 970 . 1 1 82 82 GLU HB3 H 1 1.442 . . . . . . . 82 GLU HB3 . 15813 1 971 . 1 1 82 82 GLU HG2 H 1 2.296 . . . . . . . 82 GLU HG2 . 15813 1 972 . 1 1 82 82 GLU HG3 H 1 2.100 . . . . . . . 82 GLU HG3 . 15813 1 973 . 1 1 82 82 GLU C C 13 175.041 0.15 1 1 . . . . 82 GLU C . 15813 1 974 . 1 1 82 82 GLU CA C 13 55.934 0.15 1 1 . . . . 82 GLU CA . 15813 1 975 . 1 1 82 82 GLU CB C 13 30.056 0.15 1 1 . . . . 82 GLU CB . 15813 1 976 . 1 1 82 82 GLU N N 15 114.735 0.008 3 1 . . . . 82 GLU N . 15813 1 977 . 1 1 83 83 LYS H H 1 7.704 0.004 2 1 . . . . 83 LYS H . 15813 1 978 . 1 1 83 83 LYS HA H 1 3.891 0.015 1 1 . . . . 83 LYS HA . 15813 1 979 . 1 1 83 83 LYS HB2 H 1 2.075 0.015 1 2 . . . . 83 LYS HB2 . 15813 1 980 . 1 1 83 83 LYS HB3 H 1 1.843 0.015 1 2 . . . . 83 LYS HB3 . 15813 1 981 . 1 1 83 83 LYS HD2 H 1 2.286 . . . . . . . 83 LYS HD2 . 15813 1 982 . 1 1 83 83 LYS HD3 H 1 2.286 . . . . . . . 83 LYS HD3 . 15813 1 983 . 1 1 83 83 LYS HG2 H 1 1.365 . . . . . . . 83 LYS HG2 . 15813 1 984 . 1 1 83 83 LYS HG3 H 1 1.365 . . . . . . . 83 LYS HG3 . 15813 1 985 . 1 1 83 83 LYS C C 13 175.300 0.15 1 1 . . . . 83 LYS C . 15813 1 986 . 1 1 83 83 LYS CA C 13 57.240 0.15 1 1 . . . . 83 LYS CA . 15813 1 987 . 1 1 83 83 LYS CB C 13 28.800 0.15 1 1 . . . . 83 LYS CB . 15813 1 988 . 1 1 83 83 LYS N N 15 117.038 0.032 2 1 . . . . 83 LYS N . 15813 1 989 . 1 1 84 84 ILE H H 1 7.936 0.015 3 1 . . . . 84 ILE H . 15813 1 990 . 1 1 84 84 ILE HA H 1 4.182 0.020 3 1 . . . . 84 ILE HA . 15813 1 991 . 1 1 84 84 ILE HB H 1 1.439 0.002 2 1 . . . . 84 ILE HB . 15813 1 992 . 1 1 84 84 ILE HG12 H 1 1.654 0.015 1 2 . . . . 84 ILE HG12 . 15813 1 993 . 1 1 84 84 ILE HG13 H 1 1.417 0.015 1 2 . . . . 84 ILE HG13 . 15813 1 994 . 1 1 84 84 ILE HG21 H 1 0.887 0.015 1 1 . . . . 84 ILE HG21 . 15813 1 995 . 1 1 84 84 ILE HG22 H 1 0.887 0.015 1 1 . . . . 84 ILE HG22 . 15813 1 996 . 1 1 84 84 ILE HG23 H 1 0.887 0.015 1 1 . . . . 84 ILE HG23 . 15813 1 997 . 1 1 84 84 ILE C C 13 174.024 0.15 1 1 . . . . 84 ILE C . 15813 1 998 . 1 1 84 84 ILE CA C 13 60.703 0.179 2 1 . . . . 84 ILE CA . 15813 1 999 . 1 1 84 84 ILE CB C 13 40.596 0.003 2 1 . . . . 84 ILE CB . 15813 1 1000 . 1 1 84 84 ILE CG1 C 13 27.322 0.027 2 1 . . . . 84 ILE CG1 . 15813 1 1001 . 1 1 84 84 ILE CG2 C 13 18.063 0.15 1 1 . . . . 84 ILE CG2 . 15813 1 1002 . 1 1 84 84 ILE N N 15 119.145 0.003 3 1 . . . . 84 ILE N . 15813 1 1003 . 1 1 85 85 ASN H H 1 8.642 0.002 3 1 . . . . 85 ASN H . 15813 1 1004 . 1 1 85 85 ASN HA H 1 5.250 0.016 2 1 . . . . 85 ASN HA . 15813 1 1005 . 1 1 85 85 ASN HB2 H 1 2.882 . . . . . . . 85 ASN HB2 . 15813 1 1006 . 1 1 85 85 ASN HB3 H 1 2.653 . . . . . . . 85 ASN HB3 . 15813 1 1007 . 1 1 85 85 ASN HD21 H 1 7.548 0.015 1 2 . . . . 85 ASN HD21 . 15813 1 1008 . 1 1 85 85 ASN HD22 H 1 6.774 0.004 3 2 . . . . 85 ASN HD22 . 15813 1 1009 . 1 1 85 85 ASN C C 13 171.942 0.15 1 1 . . . . 85 ASN C . 15813 1 1010 . 1 1 85 85 ASN CA C 13 49.906 0.15 1 1 . . . . 85 ASN CA . 15813 1 1011 . 1 1 85 85 ASN CB C 13 40.005 0.15 1 1 . . . . 85 ASN CB . 15813 1 1012 . 1 1 85 85 ASN N N 15 124.253 0.004 3 1 . . . . 85 ASN N . 15813 1 1013 . 1 1 85 85 ASN ND2 N 15 112.659 0.005 3 1 . . . . 85 ASN ND2 . 15813 1 1014 . 1 1 86 86 PRO C C 13 175.900 0.15 1 1 . . . . 86 PRO C . 15813 1 1015 . 1 1 86 86 PRO CA C 13 62.960 0.15 1 1 . . . . 86 PRO CA . 15813 1 1016 . 1 1 86 86 PRO CB C 13 32.400 0.15 1 1 . . . . 86 PRO CB . 15813 1 1017 . 1 1 87 87 ALA H H 1 9.201 0.015 2 1 . . . . 87 ALA H . 15813 1 1018 . 1 1 87 87 ALA HA H 1 4.052 0.015 1 1 . . . . 87 ALA HA . 15813 1 1019 . 1 1 87 87 ALA HB1 H 1 0.502 0.004 2 1 . . . . 87 ALA HB1 . 15813 1 1020 . 1 1 87 87 ALA HB2 H 1 0.502 0.004 2 1 . . . . 87 ALA HB2 . 15813 1 1021 . 1 1 87 87 ALA HB3 H 1 0.502 0.004 2 1 . . . . 87 ALA HB3 . 15813 1 1022 . 1 1 87 87 ALA C C 13 177.053 0.15 1 1 . . . . 87 ALA C . 15813 1 1023 . 1 1 87 87 ALA CA C 13 51.75 0.15 1 1 . . . . 87 ALA CA . 15813 1 1024 . 1 1 87 87 ALA CB C 13 18.741 0.15 1 1 . . . . 87 ALA CB . 15813 1 1025 . 1 1 87 87 ALA N N 15 125.578 0.000 2 1 . . . . 87 ALA N . 15813 1 1026 . 1 1 88 88 GLY H H 1 7.549 0.002 3 1 . . . . 88 GLY H . 15813 1 1027 . 1 1 88 88 GLY HA2 H 1 3.976 0.049 2 2 . . . . 88 GLY HA2 . 15813 1 1028 . 1 1 88 88 GLY HA3 H 1 3.976 0.049 2 2 . . . . 88 GLY HA3 . 15813 1 1029 . 1 1 88 88 GLY C C 13 172.557 0.15 1 1 . . . . 88 GLY C . 15813 1 1030 . 1 1 88 88 GLY CA C 13 44.516 0.15 1 1 . . . . 88 GLY CA . 15813 1 1031 . 1 1 88 88 GLY N N 15 107.129 0.002 3 1 . . . . 88 GLY N . 15813 1 1032 . 1 1 89 89 ALA H H 1 8.409 0.002 3 1 . . . . 89 ALA H . 15813 1 1033 . 1 1 89 89 ALA HA H 1 3.851 . . . . . . . 89 ALA HA . 15813 1 1034 . 1 1 89 89 ALA HB1 H 1 1.375 0.015 1 1 . . . . 89 ALA HB1 . 15813 1 1035 . 1 1 89 89 ALA HB2 H 1 1.375 0.015 1 1 . . . . 89 ALA HB2 . 15813 1 1036 . 1 1 89 89 ALA HB3 H 1 1.375 0.015 1 1 . . . . 89 ALA HB3 . 15813 1 1037 . 1 1 89 89 ALA C C 13 176.279 0.15 1 1 . . . . 89 ALA C . 15813 1 1038 . 1 1 89 89 ALA CA C 13 50.085 0.15 1 1 . . . . 89 ALA CA . 15813 1 1039 . 1 1 89 89 ALA CB C 13 18.405 0.006 2 1 . . . . 89 ALA CB . 15813 1 1040 . 1 1 89 89 ALA N N 15 123.990 0.013 3 1 . . . . 89 ALA N . 15813 1 1041 . 1 1 90 90 PRO HA H 1 4.677 0.015 1 1 . . . . 90 PRO HA . 15813 1 1042 . 1 1 90 90 PRO HB2 H 1 1.472 0.015 1 2 . . . . 90 PRO HB2 . 15813 1 1043 . 1 1 90 90 PRO HB3 H 1 1.049 0.015 1 2 . . . . 90 PRO HB3 . 15813 1 1044 . 1 1 90 90 PRO HD2 H 1 3.124 . . . . . . . 90 PRO HD2 . 15813 1 1045 . 1 1 90 90 PRO HD3 H 1 3.124 . . . . . . . 90 PRO HD3 . 15813 1 1046 . 1 1 90 90 PRO HG2 H 1 1.983 . . . . . . . 90 PRO HG2 . 15813 1 1047 . 1 1 90 90 PRO HG3 H 1 1.777 . . . . . . . 90 PRO HG3 . 15813 1 1048 . 1 1 90 90 PRO C C 13 175.800 0.15 1 1 . . . . 90 PRO C . 15813 1 1049 . 1 1 90 90 PRO CA C 13 62.360 0.15 1 1 . . . . 90 PRO CA . 15813 1 1050 . 1 1 90 90 PRO CB C 13 32.980 0.15 1 1 . . . . 90 PRO CB . 15813 1 1051 . 1 1 91 91 THR H H 1 8.842 0.003 3 1 . . . . 91 THR H . 15813 1 1052 . 1 1 91 91 THR HA H 1 4.484 0.003 2 1 . . . . 91 THR HA . 15813 1 1053 . 1 1 91 91 THR HB H 1 3.998 0.006 2 1 . . . . 91 THR HB . 15813 1 1054 . 1 1 91 91 THR HG21 H 1 1.129 0.002 2 1 . . . . 91 THR HG21 . 15813 1 1055 . 1 1 91 91 THR HG22 H 1 1.129 0.002 2 1 . . . . 91 THR HG22 . 15813 1 1056 . 1 1 91 91 THR HG23 H 1 1.129 0.002 2 1 . . . . 91 THR HG23 . 15813 1 1057 . 1 1 91 91 THR C C 13 173.282 0.15 1 1 . . . . 91 THR C . 15813 1 1058 . 1 1 91 91 THR CA C 13 62.287 0.15 1 1 . . . . 91 THR CA . 15813 1 1059 . 1 1 91 91 THR CB C 13 70.625 0.084 2 1 . . . . 91 THR CB . 15813 1 1060 . 1 1 91 91 THR CG2 C 13 21.146 0.15 1 1 . . . . 91 THR CG2 . 15813 1 1061 . 1 1 91 91 THR N N 15 117.722 0.004 3 1 . . . . 91 THR N . 15813 1 1062 . 1 1 92 92 TYR H H 1 9.067 0.001 3 1 . . . . 92 TYR H . 15813 1 1063 . 1 1 92 92 TYR HA H 1 4.599 0.019 2 1 . . . . 92 TYR HA . 15813 1 1064 . 1 1 92 92 TYR HB2 H 1 3.003 0.015 1 2 . . . . 92 TYR HB2 . 15813 1 1065 . 1 1 92 92 TYR HB3 H 1 2.728 0.015 1 2 . . . . 92 TYR HB3 . 15813 1 1066 . 1 1 92 92 TYR HD1 H 1 7.057 . . . . . . . 92 TYR HD1 . 15813 1 1067 . 1 1 92 92 TYR HD2 H 1 7.057 . . . . . . . 92 TYR HD2 . 15813 1 1068 . 1 1 92 92 TYR HE1 H 1 6.611 . . . . . . . 92 TYR HE1 . 15813 1 1069 . 1 1 92 92 TYR HE2 H 1 6.611 . . . . . . . 92 TYR HE2 . 15813 1 1070 . 1 1 92 92 TYR C C 13 176.017 0.15 1 1 . . . . 92 TYR C . 15813 1 1071 . 1 1 92 92 TYR CA C 13 59.422 0.15 1 1 . . . . 92 TYR CA . 15813 1 1072 . 1 1 92 92 TYR CB C 13 39.583 0.15 1 1 . . . . 92 TYR CB . 15813 1 1073 . 1 1 92 92 TYR CD1 C 13 133.2 . . . . . . . 92 TYR CD1 . 15813 1 1074 . 1 1 92 92 TYR CD2 C 13 133.2 . . . . . . . 92 TYR CD2 . 15813 1 1075 . 1 1 92 92 TYR CE1 C 13 117.4 . . . . . . . 92 TYR CE1 . 15813 1 1076 . 1 1 92 92 TYR CE2 C 13 117.4 . . . . . . . 92 TYR CE2 . 15813 1 1077 . 1 1 92 92 TYR N N 15 126.705 0.003 3 1 . . . . 92 TYR N . 15813 1 1078 . 1 1 93 93 VAL H H 1 9.505 0.001 3 1 . . . . 93 VAL H . 15813 1 1079 . 1 1 93 93 VAL HA H 1 4.537 0.022 2 1 . . . . 93 VAL HA . 15813 1 1080 . 1 1 93 93 VAL HB H 1 2.155 . . . . . . . 93 VAL HB . 15813 1 1081 . 1 1 93 93 VAL HG11 H 1 0.832 0.015 1 2 . . . . 93 VAL HG11 . 15813 1 1082 . 1 1 93 93 VAL HG12 H 1 0.832 0.015 1 2 . . . . 93 VAL HG12 . 15813 1 1083 . 1 1 93 93 VAL HG13 H 1 0.832 0.015 1 2 . . . . 93 VAL HG13 . 15813 1 1084 . 1 1 93 93 VAL HG21 H 1 0.725 0.015 1 2 . . . . 93 VAL HG21 . 15813 1 1085 . 1 1 93 93 VAL HG22 H 1 0.725 0.015 1 2 . . . . 93 VAL HG22 . 15813 1 1086 . 1 1 93 93 VAL HG23 H 1 0.725 0.015 1 2 . . . . 93 VAL HG23 . 15813 1 1087 . 1 1 93 93 VAL CA C 13 59.532 0.15 1 1 . . . . 93 VAL CA . 15813 1 1088 . 1 1 93 93 VAL CB C 13 31.375 0.15 1 1 . . . . 93 VAL CB . 15813 1 1089 . 1 1 93 93 VAL CG1 C 13 21.971 0.15 1 2 . . . . 93 VAL CG1 . 15813 1 1090 . 1 1 93 93 VAL CG2 C 13 19.180 0.15 1 2 . . . . 93 VAL CG2 . 15813 1 1091 . 1 1 93 93 VAL N N 15 124.629 0.003 3 1 . . . . 93 VAL N . 15813 1 1092 . 1 1 94 94 PRO HA H 1 4.606 0.015 1 1 . . . . 94 PRO HA . 15813 1 1093 . 1 1 94 94 PRO HB2 H 1 2.471 0.015 1 1 . . . . 94 PRO HB2 . 15813 1 1094 . 1 1 94 94 PRO HB3 H 1 2.471 . . . . . . . 94 PRO HB3 . 15813 1 1095 . 1 1 94 94 PRO HD2 H 1 3.651 . . . . . . . 94 PRO HD2 . 15813 1 1096 . 1 1 94 94 PRO HD3 H 1 3.527 . . . . . . . 94 PRO HD3 . 15813 1 1097 . 1 1 94 94 PRO C C 13 177.400 0.15 1 1 . . . . 94 PRO C . 15813 1 1098 . 1 1 94 94 PRO CA C 13 62.360 0.15 1 1 . . . . 94 PRO CA . 15813 1 1099 . 1 1 94 94 PRO CB C 13 33.130 0.15 1 1 . . . . 94 PRO CB . 15813 1 1100 . 1 1 95 95 GLY H H 1 6.822 0.001 3 1 . . . . 95 GLY H . 15813 1 1101 . 1 1 95 95 GLY HA2 H 1 4.396 0.015 1 2 . . . . 95 GLY HA2 . 15813 1 1102 . 1 1 95 95 GLY HA3 H 1 3.791 0.015 1 2 . . . . 95 GLY HA3 . 15813 1 1103 . 1 1 95 95 GLY C C 13 172.506 0.15 1 1 . . . . 95 GLY C . 15813 1 1104 . 1 1 95 95 GLY CA C 13 44.305 0.15 1 1 . . . . 95 GLY CA . 15813 1 1105 . 1 1 95 95 GLY N N 15 109.042 0.002 3 1 . . . . 95 GLY N . 15813 1 1106 . 1 1 96 96 GLU H H 1 8.383 0.002 3 1 . . . . 96 GLU H . 15813 1 1107 . 1 1 96 96 GLU HA H 1 4.385 0.008 2 1 . . . . 96 GLU HA . 15813 1 1108 . 1 1 96 96 GLU HB2 H 1 1.944 0.015 1 2 . . . . 96 GLU HB2 . 15813 1 1109 . 1 1 96 96 GLU HB3 H 1 1.944 . . . . . . . 96 GLU HB3 . 15813 1 1110 . 1 1 96 96 GLU C C 13 176.315 0.15 1 1 . . . . 96 GLU C . 15813 1 1111 . 1 1 96 96 GLU CA C 13 56.346 0.15 1 1 . . . . 96 GLU CA . 15813 1 1112 . 1 1 96 96 GLU CB C 13 30.370 0.15 1 1 . . . . 96 GLU CB . 15813 1 1113 . 1 1 96 96 GLU CG C 13 36.245 0.15 1 1 . . . . 96 GLU CG . 15813 1 1114 . 1 1 96 96 GLU N N 15 119.643 0.003 3 1 . . . . 96 GLU N . 15813 1 1115 . 1 1 97 97 TYR H H 1 8.908 0.001 3 1 . . . . 97 TYR H . 15813 1 1116 . 1 1 97 97 TYR HA H 1 5.050 0.017 2 1 . . . . 97 TYR HA . 15813 1 1117 . 1 1 97 97 TYR HB2 H 1 2.806 0.015 1 2 . . . . 97 TYR HB2 . 15813 1 1118 . 1 1 97 97 TYR HB3 H 1 2.806 . . . . . . . 97 TYR HB3 . 15813 1 1119 . 1 1 97 97 TYR HD1 H 1 6.912 . . . . . . . 97 TYR HD1 . 15813 1 1120 . 1 1 97 97 TYR HD2 H 1 6.912 . . . . . . . 97 TYR HD2 . 15813 1 1121 . 1 1 97 97 TYR HE1 H 1 7.242 . . . . . . . 97 TYR HE1 . 15813 1 1122 . 1 1 97 97 TYR HE2 H 1 7.242 . . . . . . . 97 TYR HE2 . 15813 1 1123 . 1 1 97 97 TYR C C 13 174.273 0.15 1 1 . . . . 97 TYR C . 15813 1 1124 . 1 1 97 97 TYR CA C 13 57.973 0.15 1 1 . . . . 97 TYR CA . 15813 1 1125 . 1 1 97 97 TYR CB C 13 39.002 0.15 1 1 . . . . 97 TYR CB . 15813 1 1126 . 1 1 97 97 TYR CD1 C 13 119.7 . . . . . . . 97 TYR CD1 . 15813 1 1127 . 1 1 97 97 TYR CD2 C 13 119.7 . . . . . . . 97 TYR CD2 . 15813 1 1128 . 1 1 97 97 TYR CE1 C 13 132.1 . . . . . . . 97 TYR CE1 . 15813 1 1129 . 1 1 97 97 TYR CE2 C 13 132.1 . . . . . . . 97 TYR CE2 . 15813 1 1130 . 1 1 97 97 TYR N N 15 127.003 0.000 3 1 . . . . 97 TYR N . 15813 1 1131 . 1 1 98 98 LYS H H 1 8.347 0.003 3 1 . . . . 98 LYS H . 15813 1 1132 . 1 1 98 98 LYS HA H 1 4.098 0.001 2 1 . . . . 98 LYS HA . 15813 1 1133 . 1 1 98 98 LYS HB2 H 1 1.495 0.015 1 2 . . . . 98 LYS HB2 . 15813 1 1134 . 1 1 98 98 LYS HB3 H 1 1.388 0.015 1 2 . . . . 98 LYS HB3 . 15813 1 1135 . 1 1 98 98 LYS HG2 H 1 2.246 . . . . . . . 98 LYS HG2 . 15813 1 1136 . 1 1 98 98 LYS HG3 H 1 1.983 . . . . . . . 98 LYS HG3 . 15813 1 1137 . 1 1 98 98 LYS C C 13 173.932 0.15 1 1 . . . . 98 LYS C . 15813 1 1138 . 1 1 98 98 LYS CA C 13 54.487 0.15 1 1 . . . . 98 LYS CA . 15813 1 1139 . 1 1 98 98 LYS CB C 13 34.278 0.15 1 1 . . . . 98 LYS CB . 15813 1 1140 . 1 1 98 98 LYS CG C 13 24.33 . . . . . . . 98 LYS CG . 15813 1 1141 . 1 1 98 98 LYS N N 15 131.046 0.006 3 1 . . . . 98 LYS N . 15813 1 1142 . 1 1 99 99 LEU H H 1 7.945 0.001 3 1 . . . . 99 LEU H . 15813 1 1143 . 1 1 99 99 LEU HA H 1 3.777 0.034 3 1 . . . . 99 LEU HA . 15813 1 1144 . 1 1 99 99 LEU HB2 H 1 1.510 0.002 2 2 . . . . 99 LEU HB2 . 15813 1 1145 . 1 1 99 99 LEU HB3 H 1 1.512 . . . . . . . 99 LEU HB3 . 15813 1 1146 . 1 1 99 99 LEU HD11 H 1 0.907 0.023 2 2 . . . . 99 LEU HD11 . 15813 1 1147 . 1 1 99 99 LEU HD12 H 1 0.907 0.023 2 2 . . . . 99 LEU HD12 . 15813 1 1148 . 1 1 99 99 LEU HD13 H 1 0.907 0.023 2 2 . . . . 99 LEU HD13 . 15813 1 1149 . 1 1 99 99 LEU HD21 H 1 0.854 0.006 2 2 . . . . 99 LEU HD21 . 15813 1 1150 . 1 1 99 99 LEU HD22 H 1 0.854 0.006 2 2 . . . . 99 LEU HD22 . 15813 1 1151 . 1 1 99 99 LEU HD23 H 1 0.854 0.006 2 2 . . . . 99 LEU HD23 . 15813 1 1152 . 1 1 99 99 LEU HG H 1 1.902 0.015 1 1 . . . . 99 LEU HG . 15813 1 1153 . 1 1 99 99 LEU C C 13 178.011 0.15 1 1 . . . . 99 LEU C . 15813 1 1154 . 1 1 99 99 LEU CA C 13 57.049 0.027 2 1 . . . . 99 LEU CA . 15813 1 1155 . 1 1 99 99 LEU CB C 13 41.754 0.011 2 1 . . . . 99 LEU CB . 15813 1 1156 . 1 1 99 99 LEU CD1 C 13 24.367 0.15 1 2 . . . . 99 LEU CD1 . 15813 1 1157 . 1 1 99 99 LEU CD2 C 13 16.975 0.15 1 2 . . . . 99 LEU CD2 . 15813 1 1158 . 1 1 99 99 LEU CG C 13 24.326 0.15 1 1 . . . . 99 LEU CG . 15813 1 1159 . 1 1 99 99 LEU N N 15 124.596 0.002 3 1 . . . . 99 LEU N . 15813 1 1160 . 1 1 100 100 GLY H H 1 8.231 0.004 3 1 . . . . 100 GLY H . 15813 1 1161 . 1 1 100 100 GLY HA2 H 1 4.166 0.006 2 2 . . . . 100 GLY HA2 . 15813 1 1162 . 1 1 100 100 GLY HA3 H 1 3.675 0.015 1 2 . . . . 100 GLY HA3 . 15813 1 1163 . 1 1 100 100 GLY C C 13 173.387 0.15 1 1 . . . . 100 GLY C . 15813 1 1164 . 1 1 100 100 GLY CA C 13 45.289 0.15 1 1 . . . . 100 GLY CA . 15813 1 1165 . 1 1 100 100 GLY N N 15 113.155 0.006 3 1 . . . . 100 GLY N . 15813 1 1166 . 1 1 101 101 GLU H H 1 7.853 0.003 3 1 . . . . 101 GLU H . 15813 1 1167 . 1 1 101 101 GLU HA H 1 4.721 0.020 2 1 . . . . 101 GLU HA . 15813 1 1168 . 1 1 101 101 GLU HB2 H 1 2.251 0.015 1 2 . . . . 101 GLU HB2 . 15813 1 1169 . 1 1 101 101 GLU HB3 H 1 1.930 0.015 1 2 . . . . 101 GLU HB3 . 15813 1 1170 . 1 1 101 101 GLU C C 13 176.400 0.15 1 1 . . . . 101 GLU C . 15813 1 1171 . 1 1 101 101 GLU CA C 13 54.589 0.15 1 1 . . . . 101 GLU CA . 15813 1 1172 . 1 1 101 101 GLU CB C 13 31.802 0.15 1 1 . . . . 101 GLU CB . 15813 1 1173 . 1 1 101 101 GLU CG C 13 35.643 0.15 1 1 . . . . 101 GLU CG . 15813 1 1174 . 1 1 101 101 GLU N N 15 119.119 0.007 3 1 . . . . 101 GLU N . 15813 1 1175 . 1 1 102 102 ASP H H 1 8.633 0.003 3 1 . . . . 102 ASP H . 15813 1 1176 . 1 1 102 102 ASP HA H 1 4.608 0.001 2 1 . . . . 102 ASP HA . 15813 1 1177 . 1 1 102 102 ASP HB2 H 1 2.562 0.015 1 2 . . . . 102 ASP HB2 . 15813 1 1178 . 1 1 102 102 ASP HB3 H 1 2.562 . . . . . . . 102 ASP HB3 . 15813 1 1179 . 1 1 102 102 ASP C C 13 175.748 0.15 1 1 . . . . 102 ASP C . 15813 1 1180 . 1 1 102 102 ASP CA C 13 55.219 0.15 1 1 . . . . 102 ASP CA . 15813 1 1181 . 1 1 102 102 ASP CB C 13 40.878 0.15 1 1 . . . . 102 ASP CB . 15813 1 1182 . 1 1 102 102 ASP N N 15 121.891 0.004 3 1 . . . . 102 ASP N . 15813 1 1183 . 1 1 103 103 PHE H H 1 8.906 0.002 3 1 . . . . 103 PHE H . 15813 1 1184 . 1 1 103 103 PHE HA H 1 5.246 0.013 2 1 . . . . 103 PHE HA . 15813 1 1185 . 1 1 103 103 PHE HB2 H 1 3.187 0.015 1 2 . . . . 103 PHE HB2 . 15813 1 1186 . 1 1 103 103 PHE HB3 H 1 2.915 0.015 1 2 . . . . 103 PHE HB3 . 15813 1 1187 . 1 1 103 103 PHE HD1 H 1 7.262 . . . . . . . 103 PHE HD1 . 15813 1 1188 . 1 1 103 103 PHE HD2 H 1 7.262 . . . . . . . 103 PHE HD2 . 15813 1 1189 . 1 1 103 103 PHE HE1 H 1 6.770 . . . . . . . 103 PHE HE1 . 15813 1 1190 . 1 1 103 103 PHE HE2 H 1 6.770 . . . . . . . 103 PHE HE2 . 15813 1 1191 . 1 1 103 103 PHE C C 13 173.100 0.15 1 1 . . . . 103 PHE C . 15813 1 1192 . 1 1 103 103 PHE CA C 13 56.833 0.15 1 1 . . . . 103 PHE CA . 15813 1 1193 . 1 1 103 103 PHE CB C 13 43.662 0.15 1 1 . . . . 103 PHE CB . 15813 1 1194 . 1 1 103 103 PHE CD1 C 13 138.7 . . . . . . . 103 PHE CD1 . 15813 1 1195 . 1 1 103 103 PHE CD2 C 13 138.7 . . . . . . . 103 PHE CD2 . 15813 1 1196 . 1 1 103 103 PHE CE1 C 13 118.2 . . . . . . . 103 PHE CE1 . 15813 1 1197 . 1 1 103 103 PHE CE2 C 13 118.2 . . . . . . . 103 PHE CE2 . 15813 1 1198 . 1 1 103 103 PHE N N 15 123.285 0.004 3 1 . . . . 103 PHE N . 15813 1 1199 . 1 1 104 104 THR H H 1 8.406 0.001 3 1 . . . . 104 THR H . 15813 1 1200 . 1 1 104 104 THR HA H 1 5.439 0.025 2 1 . . . . 104 THR HA . 15813 1 1201 . 1 1 104 104 THR HB H 1 3.646 0.005 2 1 . . . . 104 THR HB . 15813 1 1202 . 1 1 104 104 THR HG21 H 1 0.956 0.001 2 1 . . . . 104 THR HG21 . 15813 1 1203 . 1 1 104 104 THR HG22 H 1 0.956 0.001 2 1 . . . . 104 THR HG22 . 15813 1 1204 . 1 1 104 104 THR HG23 H 1 0.956 0.001 2 1 . . . . 104 THR HG23 . 15813 1 1205 . 1 1 104 104 THR C C 13 171.746 0.15 1 1 . . . . 104 THR C . 15813 1 1206 . 1 1 104 104 THR CA C 13 61.566 0.15 1 1 . . . . 104 THR CA . 15813 1 1207 . 1 1 104 104 THR CB C 13 70.546 0.025 2 1 . . . . 104 THR CB . 15813 1 1208 . 1 1 104 104 THR CG2 C 13 21.780 0.061 2 1 . . . . 104 THR CG2 . 15813 1 1209 . 1 1 104 104 THR N N 15 126.243 0.003 3 1 . . . . 104 THR N . 15813 1 1210 . 1 1 105 105 TYR H H 1 8.904 0.002 3 1 . . . . 105 TYR H . 15813 1 1211 . 1 1 105 105 TYR HA H 1 4.858 0.016 2 1 . . . . 105 TYR HA . 15813 1 1212 . 1 1 105 105 TYR HB2 H 1 2.984 0.015 1 2 . . . . 105 TYR HB2 . 15813 1 1213 . 1 1 105 105 TYR HB3 H 1 2.801 0.015 1 2 . . . . 105 TYR HB3 . 15813 1 1214 . 1 1 105 105 TYR HD1 H 1 6.944 . . . . . . . 105 TYR HD1 . 15813 1 1215 . 1 1 105 105 TYR HD2 H 1 6.944 . . . . . . . 105 TYR HD2 . 15813 1 1216 . 1 1 105 105 TYR HE1 H 1 6.621 . . . . . . . 105 TYR HE1 . 15813 1 1217 . 1 1 105 105 TYR HE2 H 1 6.621 . . . . . . . 105 TYR HE2 . 15813 1 1218 . 1 1 105 105 TYR C C 13 171.376 0.15 1 1 . . . . 105 TYR C . 15813 1 1219 . 1 1 105 105 TYR CA C 13 54.847 0.15 1 1 . . . . 105 TYR CA . 15813 1 1220 . 1 1 105 105 TYR CB C 13 42.132 0.15 1 1 . . . . 105 TYR CB . 15813 1 1221 . 1 1 105 105 TYR CD1 C 13 133.1 . . . . . . . 105 TYR CD1 . 15813 1 1222 . 1 1 105 105 TYR CD2 C 13 133.1 . . . . . . . 105 TYR CD2 . 15813 1 1223 . 1 1 105 105 TYR CE1 C 13 117.7 . . . . . . . 105 TYR CE1 . 15813 1 1224 . 1 1 105 105 TYR CE2 C 13 117.7 . . . . . . . 105 TYR CE2 . 15813 1 1225 . 1 1 105 105 TYR N N 15 122.194 0.004 3 1 . . . . 105 TYR N . 15813 1 1226 . 1 1 106 106 SER H H 1 8.130 0.001 3 1 . . . . 106 SER H . 15813 1 1227 . 1 1 106 106 SER HA H 1 5.753 0.006 2 1 . . . . 106 SER HA . 15813 1 1228 . 1 1 106 106 SER HB2 H 1 3.664 . . . . . . . 106 SER HB2 . 15813 1 1229 . 1 1 106 106 SER HB3 H 1 3.664 . . . . . . . 106 SER HB3 . 15813 1 1230 . 1 1 106 106 SER C C 13 172.268 0.15 1 1 . . . . 106 SER C . 15813 1 1231 . 1 1 106 106 SER CA C 13 56.559 0.15 1 1 . . . . 106 SER CA . 15813 1 1232 . 1 1 106 106 SER CB C 13 67.211 0.15 1 1 . . . . 106 SER CB . 15813 1 1233 . 1 1 106 106 SER N N 15 112.208 0.001 3 1 . . . . 106 SER N . 15813 1 1234 . 1 1 107 107 VAL H H 1 9.037 0.015 3 1 . . . . 107 VAL H . 15813 1 1235 . 1 1 107 107 VAL HA H 1 4.663 0.057 2 1 . . . . 107 VAL HA . 15813 1 1236 . 1 1 107 107 VAL HB H 1 1.519 0.017 2 1 . . . . 107 VAL HB . 15813 1 1237 . 1 1 107 107 VAL HG11 H 1 0.609 0.015 1 2 . . . . 107 VAL HG11 . 15813 1 1238 . 1 1 107 107 VAL HG12 H 1 0.609 0.015 1 2 . . . . 107 VAL HG12 . 15813 1 1239 . 1 1 107 107 VAL HG13 H 1 0.609 0.015 1 2 . . . . 107 VAL HG13 . 15813 1 1240 . 1 1 107 107 VAL HG21 H 1 -0.518 0.015 1 2 . . . . 107 VAL HG21 . 15813 1 1241 . 1 1 107 107 VAL HG22 H 1 -0.518 0.015 1 2 . . . . 107 VAL HG22 . 15813 1 1242 . 1 1 107 107 VAL HG23 H 1 -0.518 0.015 1 2 . . . . 107 VAL HG23 . 15813 1 1243 . 1 1 107 107 VAL C C 13 175.266 0.15 1 1 . . . . 107 VAL C . 15813 1 1244 . 1 1 107 107 VAL CA C 13 60.708 0.15 1 1 . . . . 107 VAL CA . 15813 1 1245 . 1 1 107 107 VAL CB C 13 34.524 0.203 2 1 . . . . 107 VAL CB . 15813 1 1246 . 1 1 107 107 VAL CG1 C 13 22.454 0.15 1 2 . . . . 107 VAL CG1 . 15813 1 1247 . 1 1 107 107 VAL CG2 C 13 22.021 0.15 1 2 . . . . 107 VAL CG2 . 15813 1 1248 . 1 1 107 107 VAL N N 15 121.772 0.002 3 1 . . . . 107 VAL N . 15813 1 1249 . 1 1 108 108 GLU H H 1 8.971 0.001 3 1 . . . . 108 GLU H . 15813 1 1250 . 1 1 108 108 GLU HA H 1 5.203 0.003 2 1 . . . . 108 GLU HA . 15813 1 1251 . 1 1 108 108 GLU HB2 H 1 2.035 0.015 1 2 . . . . 108 GLU HB2 . 15813 1 1252 . 1 1 108 108 GLU HB3 H 1 1.806 0.015 1 2 . . . . 108 GLU HB3 . 15813 1 1253 . 1 1 108 108 GLU HG2 H 1 2.111 . . . . . . . 108 GLU HG2 . 15813 1 1254 . 1 1 108 108 GLU HG3 H 1 2.111 . . . . . . . 108 GLU HG3 . 15813 1 1255 . 1 1 108 108 GLU C C 13 175.213 0.259 2 1 . . . . 108 GLU C . 15813 1 1256 . 1 1 108 108 GLU CA C 13 54.809 0.15 1 1 . . . . 108 GLU CA . 15813 1 1257 . 1 1 108 108 GLU CB C 13 32.238 0.15 1 1 . . . . 108 GLU CB . 15813 1 1258 . 1 1 108 108 GLU N N 15 125.633 0.004 3 1 . . . . 108 GLU N . 15813 1 1259 . 1 1 109 109 PHE H H 1 7.865 0.002 3 1 . . . . 109 PHE H . 15813 1 1260 . 1 1 109 109 PHE HA H 1 4.953 0.015 2 1 . . . . 109 PHE HA . 15813 1 1261 . 1 1 109 109 PHE HB2 H 1 3.097 0.015 1 2 . . . . 109 PHE HB2 . 15813 1 1262 . 1 1 109 109 PHE HB3 H 1 3.097 . . . . . . . 109 PHE HB3 . 15813 1 1263 . 1 1 109 109 PHE HD1 H 1 6.847 . . . . . . . 109 PHE HD1 . 15813 1 1264 . 1 1 109 109 PHE HD2 H 1 6.847 . . . . . . . 109 PHE HD2 . 15813 1 1265 . 1 1 109 109 PHE C C 13 171.859 0.15 1 1 . . . . 109 PHE C . 15813 1 1266 . 1 1 109 109 PHE CA C 13 56.346 0.15 1 1 . . . . 109 PHE CA . 15813 1 1267 . 1 1 109 109 PHE CB C 13 38.607 0.15 1 1 . . . . 109 PHE CB . 15813 1 1268 . 1 1 109 109 PHE CD1 C 13 118.5 . . . . . . . 109 PHE CD1 . 15813 1 1269 . 1 1 109 109 PHE CD2 C 13 118.5 . . . . . . . 109 PHE CD2 . 15813 1 1270 . 1 1 109 109 PHE N N 15 117.269 0.003 3 1 . . . . 109 PHE N . 15813 1 1271 . 1 1 110 110 GLU H H 1 8.612 0.002 3 1 . . . . 110 GLU H . 15813 1 1272 . 1 1 110 110 GLU HA H 1 5.161 0.002 2 1 . . . . 110 GLU HA . 15813 1 1273 . 1 1 110 110 GLU HB2 H 1 1.910 0.015 1 2 . . . . 110 GLU HB2 . 15813 1 1274 . 1 1 110 110 GLU HB3 H 1 1.764 0.015 1 2 . . . . 110 GLU HB3 . 15813 1 1275 . 1 1 110 110 GLU HG2 H 1 2.176 . . . . . . . 110 GLU HG2 . 15813 1 1276 . 1 1 110 110 GLU HG3 H 1 2.176 . . . . . . . 110 GLU HG3 . 15813 1 1277 . 1 1 110 110 GLU C C 13 176.533 0.15 1 1 . . . . 110 GLU C . 15813 1 1278 . 1 1 110 110 GLU CA C 13 54.513 0.15 1 1 . . . . 110 GLU CA . 15813 1 1279 . 1 1 110 110 GLU CB C 13 32.975 0.15 1 1 . . . . 110 GLU CB . 15813 1 1280 . 1 1 110 110 GLU N N 15 118.490 0.013 3 1 . . . . 110 GLU N . 15813 1 1281 . 1 1 111 111 VAL H H 1 8.113 0.001 3 1 . . . . 111 VAL H . 15813 1 1282 . 1 1 111 111 VAL HA H 1 4.774 0.003 3 1 . . . . 111 VAL HA . 15813 1 1283 . 1 1 111 111 VAL HB H 1 2.552 0.005 2 1 . . . . 111 VAL HB . 15813 1 1284 . 1 1 111 111 VAL HG11 H 1 0.966 0.015 1 2 . . . . 111 VAL HG11 . 15813 1 1285 . 1 1 111 111 VAL HG12 H 1 0.966 0.015 1 2 . . . . 111 VAL HG12 . 15813 1 1286 . 1 1 111 111 VAL HG13 H 1 0.966 0.015 1 2 . . . . 111 VAL HG13 . 15813 1 1287 . 1 1 111 111 VAL HG21 H 1 0.848 0.015 1 2 . . . . 111 VAL HG21 . 15813 1 1288 . 1 1 111 111 VAL HG22 H 1 0.848 0.015 1 2 . . . . 111 VAL HG22 . 15813 1 1289 . 1 1 111 111 VAL HG23 H 1 0.848 0.015 1 2 . . . . 111 VAL HG23 . 15813 1 1290 . 1 1 111 111 VAL C C 13 175.645 0.15 1 1 . . . . 111 VAL C . 15813 1 1291 . 1 1 111 111 VAL CA C 13 59.960 0.055 2 1 . . . . 111 VAL CA . 15813 1 1292 . 1 1 111 111 VAL CB C 13 33.885 0.050 2 1 . . . . 111 VAL CB . 15813 1 1293 . 1 1 111 111 VAL CG1 C 13 23.447 0.15 1 2 . . . . 111 VAL CG1 . 15813 1 1294 . 1 1 111 111 VAL CG2 C 13 18.036 0.15 1 1 . . . . 111 VAL CG2 . 15813 1 1295 . 1 1 111 111 VAL N N 15 113.925 0.005 3 1 . . . . 111 VAL N . 15813 1 1296 . 1 1 112 112 TYR H H 1 8.124 0.002 3 1 . . . . 112 TYR H . 15813 1 1297 . 1 1 112 112 TYR HA H 1 4.574 0.015 2 1 . . . . 112 TYR HA . 15813 1 1298 . 1 1 112 112 TYR HB2 H 1 2.294 0.015 0 2 . . . . 112 TYR HB2 . 15813 1 1299 . 1 1 112 112 TYR HB3 H 1 2.736 . . . . . . . 112 TYR HB3 . 15813 1 1300 . 1 1 112 112 TYR HD1 H 1 7.199 . . . . . . . 112 TYR HD1 . 15813 1 1301 . 1 1 112 112 TYR HD2 H 1 7.199 . . . . . . . 112 TYR HD2 . 15813 1 1302 . 1 1 112 112 TYR HE1 H 1 6.822 . . . . . . . 112 TYR HE1 . 15813 1 1303 . 1 1 112 112 TYR HE2 H 1 6.822 . . . . . . . 112 TYR HE2 . 15813 1 1304 . 1 1 112 112 TYR C C 13 174.602 0.15 1 1 . . . . 112 TYR C . 15813 1 1305 . 1 1 112 112 TYR CA C 13 57.687 0.15 1 1 . . . . 112 TYR CA . 15813 1 1306 . 1 1 112 112 TYR CB C 13 37.894 0.15 1 1 . . . . 112 TYR CB . 15813 1 1307 . 1 1 112 112 TYR CD1 C 13 129.7 . . . . . . . 112 TYR CD1 . 15813 1 1308 . 1 1 112 112 TYR CD2 C 13 129.7 . . . . . . . 112 TYR CD2 . 15813 1 1309 . 1 1 112 112 TYR CE1 C 13 118.5 . . . . . . . 112 TYR CE1 . 15813 1 1310 . 1 1 112 112 TYR CE2 C 13 118.5 . . . . . . . 112 TYR CE2 . 15813 1 1311 . 1 1 112 112 TYR N N 15 118.544 0.011 3 1 . . . . 112 TYR N . 15813 1 1312 . 1 1 113 113 PRO HA H 1 4.411 . . . . . . . 113 PRO HA . 15813 1 1313 . 1 1 113 113 PRO HB2 H 1 2.294 0.015 1 2 . . . . 113 PRO HB2 . 15813 1 1314 . 1 1 113 113 PRO HB3 H 1 1.949 0.015 1 2 . . . . 113 PRO HB3 . 15813 1 1315 . 1 1 113 113 PRO C C 13 176.600 0.15 1 1 . . . . 113 PRO C . 15813 1 1316 . 1 1 113 113 PRO CA C 13 63.010 0.15 1 1 . . . . 113 PRO CA . 15813 1 1317 . 1 1 113 113 PRO CB C 13 31.930 0.15 1 1 . . . . 113 PRO CB . 15813 1 1318 . 1 1 114 114 GLU H H 1 8.361 0.002 3 1 . . . . 114 GLU H . 15813 1 1319 . 1 1 114 114 GLU HA H 1 4.274 0.004 2 1 . . . . 114 GLU HA . 15813 1 1320 . 1 1 114 114 GLU HB2 H 1 2.023 0.015 1 2 . . . . 114 GLU HB2 . 15813 1 1321 . 1 1 114 114 GLU HB3 H 1 1.933 0.015 1 2 . . . . 114 GLU HB3 . 15813 1 1322 . 1 1 114 114 GLU C C 13 176.400 0.15 1 1 . . . . 114 GLU C . 15813 1 1323 . 1 1 114 114 GLU CA C 13 56.519 0.15 1 1 . . . . 114 GLU CA . 15813 1 1324 . 1 1 114 114 GLU CB C 13 30.324 0.15 1 1 . . . . 114 GLU CB . 15813 1 1325 . 1 1 114 114 GLU CG C 13 36.777 0.15 1 1 . . . . 114 GLU CG . 15813 1 1326 . 1 1 114 114 GLU N N 15 121.276 0.006 3 1 . . . . 114 GLU N . 15813 1 1327 . 1 1 115 115 VAL H H 1 8.116 0.001 3 1 . . . . 115 VAL H . 15813 1 1328 . 1 1 115 115 VAL HA H 1 4.095 0.001 2 1 . . . . 115 VAL HA . 15813 1 1329 . 1 1 115 115 VAL HB H 1 2.035 0.015 1 1 . . . . 115 VAL HB . 15813 1 1330 . 1 1 115 115 VAL HG11 H 1 0.970 0.015 1 2 . . . . 115 VAL HG11 . 15813 1 1331 . 1 1 115 115 VAL HG12 H 1 0.970 0.015 1 2 . . . . 115 VAL HG12 . 15813 1 1332 . 1 1 115 115 VAL HG13 H 1 0.970 0.015 1 2 . . . . 115 VAL HG13 . 15813 1 1333 . 1 1 115 115 VAL C C 13 175.530 0.15 1 1 . . . . 115 VAL C . 15813 1 1334 . 1 1 115 115 VAL CA C 13 62.242 0.15 1 1 . . . . 115 VAL CA . 15813 1 1335 . 1 1 115 115 VAL CB C 13 33.039 0.15 1 1 . . . . 115 VAL CB . 15813 1 1336 . 1 1 115 115 VAL CG1 C 13 20.570 0.15 1 2 . . . . 115 VAL CG1 . 15813 1 1337 . 1 1 115 115 VAL N N 15 120.757 0.003 3 1 . . . . 115 VAL N . 15813 1 1338 . 1 1 116 116 GLU H H 1 8.387 0.001 3 1 . . . . 116 GLU H . 15813 1 1339 . 1 1 116 116 GLU HA H 1 4.303 0.012 2 1 . . . . 116 GLU HA . 15813 1 1340 . 1 1 116 116 GLU HB2 H 1 2.030 0.015 1 2 . . . . 116 GLU HB2 . 15813 1 1341 . 1 1 116 116 GLU HB3 H 1 1.880 0.015 1 2 . . . . 116 GLU HB3 . 15813 1 1342 . 1 1 116 116 GLU HG2 H 1 2.287 0.015 1 2 . . . . 116 GLU HG2 . 15813 1 1343 . 1 1 116 116 GLU C C 13 175.096 0.15 1 1 . . . . 116 GLU C . 15813 1 1344 . 1 1 116 116 GLU CA C 13 56.393 0.15 1 1 . . . . 116 GLU CA . 15813 1 1345 . 1 1 116 116 GLU CB C 13 30.373 0.15 1 1 . . . . 116 GLU CB . 15813 1 1346 . 1 1 116 116 GLU CG C 13 36.326 0.15 1 1 . . . . 116 GLU CG . 15813 1 1347 . 1 1 116 116 GLU N N 15 125.503 0.004 3 1 . . . . 116 GLU N . 15813 1 1348 . 1 1 117 117 LEU H H 1 7.909 0.015 3 1 . . . . 117 LEU H . 15813 1 1349 . 1 1 117 117 LEU HA H 1 4.149 0.010 2 1 . . . . 117 LEU HA . 15813 1 1350 . 1 1 117 117 LEU HB2 H 1 1.548 0.015 1 2 . . . . 117 LEU HB2 . 15813 1 1351 . 1 1 117 117 LEU HB3 H 1 1.548 0.015 1 2 . . . . 117 LEU HB3 . 15813 1 1352 . 1 1 117 117 LEU HD11 H 1 0.874 0.015 1 2 . . . . 117 LEU HD11 . 15813 1 1353 . 1 1 117 117 LEU HD12 H 1 0.874 0.015 1 2 . . . . 117 LEU HD12 . 15813 1 1354 . 1 1 117 117 LEU HD13 H 1 0.874 0.015 1 2 . . . . 117 LEU HD13 . 15813 1 1355 . 1 1 117 117 LEU HD21 H 1 0.823 0.015 1 2 . . . . 117 LEU HD21 . 15813 1 1356 . 1 1 117 117 LEU HD22 H 1 0.823 0.015 1 2 . . . . 117 LEU HD22 . 15813 1 1357 . 1 1 117 117 LEU HD23 H 1 0.823 0.015 1 2 . . . . 117 LEU HD23 . 15813 1 1358 . 1 1 117 117 LEU HG H 1 1.563 . . . . . . . 117 LEU HG . 15813 1 1359 . 1 1 117 117 LEU C C 13 181.6 . . . . . . . 117 LEU C . 15813 1 1360 . 1 1 117 117 LEU CA C 13 56.620 0.15 1 1 . . . . 117 LEU CA . 15813 1 1361 . 1 1 117 117 LEU CB C 13 43.418 0.014 2 1 . . . . 117 LEU CB . 15813 1 1362 . 1 1 117 117 LEU CD1 C 13 25.267 0.15 1 2 . . . . 117 LEU CD1 . 15813 1 1363 . 1 1 117 117 LEU CD2 C 13 23.554 0.15 1 2 . . . . 117 LEU CD2 . 15813 1 1364 . 1 1 117 117 LEU CG C 13 27.18 . . . . . . . 117 LEU CG . 15813 1 1365 . 1 1 117 117 LEU N N 15 130.026 0.001 3 1 . . . . 117 LEU N . 15813 1 stop_ save_