data_16824 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16824 _Entry.Title ; Solution Structure of the GTPase Binding Domain of WASP in Complex with EspFU, an EHEC Effector ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-01 _Entry.Accession_date 2010-04-01 _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 Hui-Chun Cheng . . . 16824 2 Brian Skehan . M. . 16824 3 Kenneth Campellone . G. . 16824 4 John Leong . M. . 16824 5 Michael Rosen . K. . 16824 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16824 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID autoinhibition . 16824 EspFU . 16824 GBD . 16824 WASP . 16824 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16824 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 444 16824 '15N chemical shifts' 111 16824 '1H chemical shifts' 728 16824 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-06-03 2010-04-01 update BMRB 'edit assembly name' 16824 1 . . 2010-05-05 2010-04-01 original author 'original release' 16824 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K42 'BMRB Entry Tracking System' 16824 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16824 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18650809 _Citation.Full_citation . _Citation.Title 'Structural Mechanism of WASP Activation by the Enterohaemorrhagic E. coli Effector EspFU' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 454 _Citation.Journal_issue 7207 _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 1009 _Citation.Page_last 1013 _Citation.Year 2008 _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 Hui-Chun Cheng . . . 16824 1 2 Brian Skehan . M. . 16824 1 3 Kenneth Campellone . G. . 16824 1 4 John Leong . M. . 16824 1 5 Michael Rosen . K. . 16824 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16824 _Assembly.ID 1 _Assembly.Name 'WASP/EspFU complex' _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _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 GBD 1 $GBD A . yes native no no . . . 16824 1 2 R33 2 $R33 B . yes native no no . . . 16824 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GBD _Entity.Sf_category entity _Entity.Sf_framecode GBD _Entity.Entry_ID 16824 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GBD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMSGFKHVSHVGWDPQNGF DVNNLDPDLRSLFSRAGISE AQLTDAETSKLIYDFIEDQG GLEAVRQEMRRQ ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8128.980 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 1EJ5 . "Solution Structure Of The Autoinhibited Conformation Of Wasp" . . . . . 95.83 107 100.00 100.00 2.12e-42 . . . . 16824 1 2 no PDB 1T84 . "Solution Structure Of The Wiskott-Aldrich Syndrome Protein (Wasp) Autoinhibited Core Domain Complexed With (S)- Wiskostatin, A " . . . . . 95.83 107 100.00 100.00 2.12e-42 . . . . 16824 1 3 no PDB 2K42 . "Solution Structure Of The Gtpase Binding Domain Of Wasp In Complex With Espfu, An Ehec Effector" . . . . . 100.00 72 100.00 100.00 4.30e-45 . . . . 16824 1 4 no DBJ BAJ20379 . "Wiskott-Aldrich syndrome [synthetic construct]" . . . . . 100.00 502 97.22 97.22 8.32e-41 . . . . 16824 1 5 no GB AAA62663 . "Wiskott-Aldrich syndrome protein [Homo sapiens]" . . . . . 100.00 502 97.22 97.22 8.32e-41 . . . . 16824 1 6 no GB AAA85515 . "Wiscott-Aldrich Syndrome protein homolog [Mus musculus]" . . . . . 100.00 520 97.22 97.22 1.21e-40 . . . . 16824 1 7 no GB AAC50140 . "WAS [Homo sapiens]" . . . . . 100.00 502 97.22 97.22 8.32e-41 . . . . 16824 1 8 no GB AAC52556 . "Wiskott-Aldrich Syndrome Protein [Mus musculus]" . . . . . 100.00 520 97.22 97.22 1.30e-40 . . . . 16824 1 9 no GB AAC99855 . "Wiskott-Aldrich syndrome protein (WASP) [Mus musculus]" . . . . . 100.00 520 97.22 97.22 1.30e-40 . . . . 16824 1 10 no PRF 2112369A . "Wiskott-Aldrich syndrome gene" . . . . . 100.00 502 97.22 97.22 8.32e-41 . . . . 16824 1 11 no PRF 2122283A . "Wiskott-Aldrich syndrome protein" . . . . . 100.00 520 97.22 97.22 1.30e-40 . . . . 16824 1 12 no REF NP_000368 . "wiskott-Aldrich syndrome protein [Homo sapiens]" . . . . . 100.00 502 97.22 97.22 8.32e-41 . . . . 16824 1 13 no REF NP_001101718 . "wiskott-Aldrich syndrome protein [Rattus norvegicus]" . . . . . 100.00 355 97.22 97.22 2.95e-40 . . . . 16824 1 14 no REF NP_033541 . "wiskott-Aldrich syndrome protein homolog [Mus musculus]" . . . . . 100.00 520 97.22 97.22 1.30e-40 . . . . 16824 1 15 no REF XP_002831654 . "PREDICTED: wiskott-Aldrich syndrome protein-like, partial [Pongo abelii]" . . . . . 90.28 260 100.00 100.00 5.90e-39 . . . . 16824 1 16 no REF XP_003276872 . "PREDICTED: wiskott-Aldrich syndrome protein [Nomascus leucogenys]" . . . . . 100.00 502 97.22 97.22 7.99e-41 . . . . 16824 1 17 no SP P42768 . "RecName: Full=Wiskott-Aldrich syndrome protein; Short=WASp" . . . . . 100.00 502 97.22 97.22 8.32e-41 . . . . 16824 1 18 no SP P70315 . "RecName: Full=Wiskott-Aldrich syndrome protein homolog; Short=WASp" . . . . . 100.00 520 97.22 97.22 1.30e-40 . . . . 16824 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 . GLY . 16824 1 2 . HIS . 16824 1 3 . MET . 16824 1 4 . SER . 16824 1 5 . GLY . 16824 1 6 . PHE . 16824 1 7 . LYS . 16824 1 8 . HIS . 16824 1 9 . VAL . 16824 1 10 . SER . 16824 1 11 . HIS . 16824 1 12 . VAL . 16824 1 13 . GLY . 16824 1 14 . TRP . 16824 1 15 . ASP . 16824 1 16 . PRO . 16824 1 17 . GLN . 16824 1 18 . ASN . 16824 1 19 . GLY . 16824 1 20 . PHE . 16824 1 21 . ASP . 16824 1 22 . VAL . 16824 1 23 . ASN . 16824 1 24 . ASN . 16824 1 25 . LEU . 16824 1 26 . ASP . 16824 1 27 . PRO . 16824 1 28 . ASP . 16824 1 29 . LEU . 16824 1 30 . ARG . 16824 1 31 . SER . 16824 1 32 . LEU . 16824 1 33 . PHE . 16824 1 34 . SER . 16824 1 35 . ARG . 16824 1 36 . ALA . 16824 1 37 . GLY . 16824 1 38 . ILE . 16824 1 39 . SER . 16824 1 40 . GLU . 16824 1 41 . ALA . 16824 1 42 . GLN . 16824 1 43 . LEU . 16824 1 44 . THR . 16824 1 45 . ASP . 16824 1 46 . ALA . 16824 1 47 . GLU . 16824 1 48 . THR . 16824 1 49 . SER . 16824 1 50 . LYS . 16824 1 51 . LEU . 16824 1 52 . ILE . 16824 1 53 . TYR . 16824 1 54 . ASP . 16824 1 55 . PHE . 16824 1 56 . ILE . 16824 1 57 . GLU . 16824 1 58 . ASP . 16824 1 59 . GLN . 16824 1 60 . GLY . 16824 1 61 . GLY . 16824 1 62 . LEU . 16824 1 63 . GLU . 16824 1 64 . ALA . 16824 1 65 . VAL . 16824 1 66 . ARG . 16824 1 67 . GLN . 16824 1 68 . GLU . 16824 1 69 . MET . 16824 1 70 . ARG . 16824 1 71 . ARG . 16824 1 72 . GLN . 16824 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 . GLY 1 1 16824 1 . HIS 2 2 16824 1 . MET 3 3 16824 1 . SER 4 4 16824 1 . GLY 5 5 16824 1 . PHE 6 6 16824 1 . LYS 7 7 16824 1 . HIS 8 8 16824 1 . VAL 9 9 16824 1 . SER 10 10 16824 1 . HIS 11 11 16824 1 . VAL 12 12 16824 1 . GLY 13 13 16824 1 . TRP 14 14 16824 1 . ASP 15 15 16824 1 . PRO 16 16 16824 1 . GLN 17 17 16824 1 . ASN 18 18 16824 1 . GLY 19 19 16824 1 . PHE 20 20 16824 1 . ASP 21 21 16824 1 . VAL 22 22 16824 1 . ASN 23 23 16824 1 . ASN 24 24 16824 1 . LEU 25 25 16824 1 . ASP 26 26 16824 1 . PRO 27 27 16824 1 . ASP 28 28 16824 1 . LEU 29 29 16824 1 . ARG 30 30 16824 1 . SER 31 31 16824 1 . LEU 32 32 16824 1 . PHE 33 33 16824 1 . SER 34 34 16824 1 . ARG 35 35 16824 1 . ALA 36 36 16824 1 . GLY 37 37 16824 1 . ILE 38 38 16824 1 . SER 39 39 16824 1 . GLU 40 40 16824 1 . ALA 41 41 16824 1 . GLN 42 42 16824 1 . LEU 43 43 16824 1 . THR 44 44 16824 1 . ASP 45 45 16824 1 . ALA 46 46 16824 1 . GLU 47 47 16824 1 . THR 48 48 16824 1 . SER 49 49 16824 1 . LYS 50 50 16824 1 . LEU 51 51 16824 1 . ILE 52 52 16824 1 . TYR 53 53 16824 1 . ASP 54 54 16824 1 . PHE 55 55 16824 1 . ILE 56 56 16824 1 . GLU 57 57 16824 1 . ASP 58 58 16824 1 . GLN 59 59 16824 1 . GLY 60 60 16824 1 . GLY 61 61 16824 1 . LEU 62 62 16824 1 . GLU 63 63 16824 1 . ALA 64 64 16824 1 . VAL 65 65 16824 1 . ARG 66 66 16824 1 . GLN 67 67 16824 1 . GLU 68 68 16824 1 . MET 69 69 16824 1 . ARG 70 70 16824 1 . ARG 71 71 16824 1 . GLN 72 72 16824 1 stop_ save_ save_R33 _Entity.Sf_category entity _Entity.Sf_framecode R33 _Entity.Entry_ID 16824 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name R33 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMLPDVAQRLMQHLAEHGI QPARNMAEHIPPAPNW ; _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 no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 36 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4070.712 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18165 . entity_3 . . . . . 91.67 48 100.00 100.00 6.04e-14 . . . . 16824 2 2 no PDB 2K42 . "Solution Structure Of The Gtpase Binding Domain Of Wasp In Complex With Espfu, An Ehec Effector" . . . . . 100.00 36 100.00 100.00 2.13e-16 . . . . 16824 2 3 no PDB 2KXC . "1h, 13c, And 15n Chemical Shift Assignments For Irtks-Sh3 And Espfu- R47 Complex" . . . . . 91.67 48 100.00 100.00 6.04e-14 . . . . 16824 2 4 no PDB 2LNH . "Enterohaemorrhagic E. Coli (Ehec) Exploits A Tryptophan Switch To Hijack Host F-Actin Assembly" . . . . . 91.67 48 100.00 100.00 6.04e-14 . . . . 16824 2 5 no GB EHU63438 . "tir-cytoskeleton coupling protein, partial [Escherichia coli DEC3A]" . . . . . 91.67 79 100.00 100.00 7.06e-14 . . . . 16824 2 6 no GB EHV07820 . "espF-like protein [Escherichia coli DEC4D]" . . . . . 52.78 49 100.00 100.00 3.36e-03 . . . . 16824 2 7 no GB EIN75194 . "type III secreted effector protein, partial [Escherichia coli PA10]" . . . . . 77.78 87 100.00 100.00 1.59e-08 . . . . 16824 2 8 no GB EIN98845 . "tir-cytoskeleton coupling protein, partial [Escherichia coli PA24]" . . . . . 77.78 87 100.00 100.00 1.59e-08 . . . . 16824 2 9 no GB EIN98874 . "tir-cytoskeleton coupling protein, partial [Escherichia coli PA25]" . . . . . 77.78 87 100.00 100.00 1.59e-08 . . . . 16824 2 10 no REF WP_000807599 . "hypothetical protein, partial [Escherichia coli]" . . . . . 77.78 202 100.00 100.00 1.16e-07 . . . . 16824 2 11 no REF WP_001451998 . "type III secreted effector protein, partial [Escherichia coli]" . . . . . 77.78 87 100.00 100.00 1.59e-08 . . . . 16824 2 12 no REF WP_001457107 . "tir-cytoskeleton coupling protein, partial [Escherichia coli]" . . . . . 77.78 86 100.00 100.00 1.36e-08 . . . . 16824 2 13 no REF WP_001473124 . "espF repeat family protein, partial [Escherichia coli]" . . . . . 77.78 83 100.00 100.00 1.41e-08 . . . . 16824 2 14 no REF WP_032163511 . "hypothetical protein, partial [Escherichia coli]" . . . . . 77.78 115 100.00 100.00 6.02e-08 . . . . 16824 2 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 73 GLY . 16824 2 2 74 HIS . 16824 2 3 75 MET . 16824 2 4 76 LEU . 16824 2 5 77 PRO . 16824 2 6 78 ASP . 16824 2 7 79 VAL . 16824 2 8 80 ALA . 16824 2 9 81 GLN . 16824 2 10 82 ARG . 16824 2 11 83 LEU . 16824 2 12 84 MET . 16824 2 13 85 GLN . 16824 2 14 86 HIS . 16824 2 15 87 LEU . 16824 2 16 88 ALA . 16824 2 17 89 GLU . 16824 2 18 90 HIS . 16824 2 19 91 GLY . 16824 2 20 92 ILE . 16824 2 21 93 GLN . 16824 2 22 94 PRO . 16824 2 23 95 ALA . 16824 2 24 96 ARG . 16824 2 25 97 ASN . 16824 2 26 98 MET . 16824 2 27 99 ALA . 16824 2 28 100 GLU . 16824 2 29 101 HIS . 16824 2 30 102 ILE . 16824 2 31 103 PRO . 16824 2 32 104 PRO . 16824 2 33 105 ALA . 16824 2 34 106 PRO . 16824 2 35 107 ASN . 16824 2 36 108 TRP . 16824 2 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 . GLY 1 1 16824 2 . HIS 2 2 16824 2 . MET 3 3 16824 2 . LEU 4 4 16824 2 . PRO 5 5 16824 2 . ASP 6 6 16824 2 . VAL 7 7 16824 2 . ALA 8 8 16824 2 . GLN 9 9 16824 2 . ARG 10 10 16824 2 . LEU 11 11 16824 2 . MET 12 12 16824 2 . GLN 13 13 16824 2 . HIS 14 14 16824 2 . LEU 15 15 16824 2 . ALA 16 16 16824 2 . GLU 17 17 16824 2 . HIS 18 18 16824 2 . GLY 19 19 16824 2 . ILE 20 20 16824 2 . GLN 21 21 16824 2 . PRO 22 22 16824 2 . ALA 23 23 16824 2 . ARG 24 24 16824 2 . ASN 25 25 16824 2 . MET 26 26 16824 2 . ALA 27 27 16824 2 . GLU 28 28 16824 2 . HIS 29 29 16824 2 . ILE 30 30 16824 2 . PRO 31 31 16824 2 . PRO 32 32 16824 2 . ALA 33 33 16824 2 . PRO 34 34 16824 2 . ASN 35 35 16824 2 . TRP 36 36 16824 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16824 _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 $GBD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16824 1 2 2 $R33 . 83334 organism . 'Escherichia coli O157:H7' 'Escherichia coli O157:H7' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16824 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 16824 _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 $GBD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pGEX . . . . . . 16824 1 2 2 $R33 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pGEX . . . . . . 16824 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16824 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM sodium phosphate pH 6.8, 100 mM NaCl, 1 mM DTT, and 1 mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'GBD/R33 complex' '[U-100% 13C; U-100% 15N]' 1 $assembly . . . . . 1 1.5 mM . . . . 16824 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16824 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16824 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16824 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16824 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16824 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16824 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16824 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM sodium phosphate pH 6.8, 100 mM NaCl, 1 mM DTT, and 1 mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'GBD/R33 complex' '[U-100% 13C; U-100% 15N]' 1 $assembly . . . . . 1 1.5 mM . . . . 16824 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16824 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16824 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16824 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16824 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16824 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16824 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM sodium phosphate pH 6.8, 100 mM NaCl, 1 mM DTT, and 1 mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 R33 'natural abundance' . . 2 $R33 . . 1 . . mM . . . . 16824 3 2 GBD '[U-100% 13C; U-100% 15N]' . . 1 $GBD . . 1 . . mM . . . . 16824 3 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16824 3 4 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16824 3 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16824 3 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16824 3 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16824 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16824 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 16824 1 pressure 1 . atm 16824 1 temperature 298.15 . K 16824 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16824 _Software.ID 1 _Software.Name ARIA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16824 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16824 1 'structure solution' 16824 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16824 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16824 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16824 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16824 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16824 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16824 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16824 _Software.ID 4 _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' . . 16824 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16824 4 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 16824 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16824 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 16824 _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 Varian INOVA . 600 . . . 16824 1 2 spectrometer_2 Varian INOVA . 500 . . . 16824 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 16824 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16824 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16824 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16824 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16824 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16824 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16824 1 7 '4D 13C-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16824 1 8 '3D 13C-filtered NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16824 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 16824 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16824 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16824 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16824 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 16824 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _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 '3D HNCACB' . . . 16824 1 2 '3D CBCA(CO)NH' . . . 16824 1 3 '3D HCCH-TOCSY' . . . 16824 1 6 '3D HNCO' . . . 16824 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 3 3 MET HA H 1 4.517 . . 1 . . . . 3 M HA . 16824 1 2 . 1 1 3 3 MET HB2 H 1 1.988 . . 2 . . . . 3 M HB1 . 16824 1 3 . 1 1 3 3 MET HB3 H 1 2.089 . . 2 . . . . 3 M HB2 . 16824 1 4 . 1 1 3 3 MET HE1 H 1 2.093 . . 1 . . . . 3 M HE1 . 16824 1 5 . 1 1 3 3 MET HE2 H 1 2.093 . . 1 . . . . 3 M HE1 . 16824 1 6 . 1 1 3 3 MET HE3 H 1 2.093 . . 1 . . . . 3 M HE1 . 16824 1 7 . 1 1 3 3 MET HG2 H 1 2.448 . . 2 . . . . 3 M HG1 . 16824 1 8 . 1 1 3 3 MET HG3 H 1 2.544 . . 2 . . . . 3 M HG2 . 16824 1 9 . 1 1 3 3 MET C C 13 176.121 . . 1 . . . . 3 M C . 16824 1 10 . 1 1 3 3 MET CA C 13 55.540 . . 1 . . . . 3 M CA . 16824 1 11 . 1 1 3 3 MET CB C 13 32.800 . . 1 . . . . 3 M CB . 16824 1 12 . 1 1 3 3 MET CE C 13 16.889 . . 1 . . . . 3 M CE . 16824 1 13 . 1 1 3 3 MET CG C 13 32.080 . . 1 . . . . 3 M CG . 16824 1 14 . 1 1 4 4 SER H H 1 8.412 . . 1 . . . . 4 S HN . 16824 1 15 . 1 1 4 4 SER HA H 1 4.430 . . 1 . . . . 4 S HA . 16824 1 16 . 1 1 4 4 SER HB2 H 1 3.900 . . 2 . . . . 4 S HB1 . 16824 1 17 . 1 1 4 4 SER HB3 H 1 3.766 . . 2 . . . . 4 S HB2 . 16824 1 18 . 1 1 4 4 SER C C 13 174.917 . . 1 . . . . 4 S C . 16824 1 19 . 1 1 4 4 SER CA C 13 58.761 . . 1 . . . . 4 S CA . 16824 1 20 . 1 1 4 4 SER CB C 13 63.742 . . 1 . . . . 4 S CB . 16824 1 21 . 1 1 4 4 SER N N 15 117.326 . . 1 . . . . 4 S N . 16824 1 22 . 1 1 5 5 GLY H H 1 8.450 . . 1 . . . . 5 G HN . 16824 1 23 . 1 1 5 5 GLY HA2 H 1 3.881 . . 2 . . . . 5 G HA1 . 16824 1 24 . 1 1 5 5 GLY HA3 H 1 3.967 . . 2 . . . . 5 G HA2 . 16824 1 25 . 1 1 5 5 GLY C C 13 173.790 . . 1 . . . . 5 G C . 16824 1 26 . 1 1 5 5 GLY CA C 13 45.250 . . 1 . . . . 5 G CA . 16824 1 27 . 1 1 5 5 GLY N N 15 110.830 . . 1 . . . . 5 G N . 16824 1 28 . 1 1 6 6 PHE H H 1 8.060 . . 1 . . . . 6 F HN . 16824 1 29 . 1 1 6 6 PHE HA H 1 4.601 . . 1 . . . . 6 F HA . 16824 1 30 . 1 1 6 6 PHE HB2 H 1 3.096 . . 2 . . . . 6 F HB1 . 16824 1 31 . 1 1 6 6 PHE HB3 H 1 3.000 . . 2 . . . . 6 F HB2 . 16824 1 32 . 1 1 6 6 PHE HD1 H 1 7.202 . . 3 . . . . 6 F HD1 . 16824 1 33 . 1 1 6 6 PHE HD2 H 1 7.202 . . 3 . . . . 6 F HD2 . 16824 1 34 . 1 1 6 6 PHE HE1 H 1 7.312 . . 3 . . . . 6 F HE1 . 16824 1 35 . 1 1 6 6 PHE HE2 H 1 7.312 . . 3 . . . . 6 F HE2 . 16824 1 36 . 1 1 6 6 PHE C C 13 175.541 . . 1 . . . . 6 F C . 16824 1 37 . 1 1 6 6 PHE CA C 13 57.760 . . 1 . . . . 6 F CA . 16824 1 38 . 1 1 6 6 PHE CB C 13 39.730 . . 1 . . . . 6 F CB . 16824 1 39 . 1 1 6 6 PHE N N 15 119.950 . . 1 . . . . 6 F N . 16824 1 40 . 1 1 7 7 LYS H H 1 8.210 . . 1 . . . . 7 K HN . 16824 1 41 . 1 1 7 7 LYS HA H 1 4.269 . . 1 . . . . 7 K HA . 16824 1 42 . 1 1 7 7 LYS HB2 H 1 1.720 . . 2 . . . . 7 K HB1 . 16824 1 43 . 1 1 7 7 LYS HB3 H 1 1.675 . . 2 . . . . 7 K HB2 . 16824 1 44 . 1 1 7 7 LYS HD2 H 1 1.663 . . 2 . . . . 7 K HD1 . 16824 1 45 . 1 1 7 7 LYS HD3 H 1 1.650 . . 2 . . . . 7 K HD2 . 16824 1 46 . 1 1 7 7 LYS HE2 H 1 2.963 . . 2 . . . . 7 K HE1 . 16824 1 47 . 1 1 7 7 LYS HE3 H 1 3.009 . . 2 . . . . 7 K HE2 . 16824 1 48 . 1 1 7 7 LYS HG2 H 1 1.340 . . 2 . . . . 7 K HG1 . 16824 1 49 . 1 1 7 7 LYS HG3 H 1 1.312 . . 2 . . . . 7 K HG2 . 16824 1 50 . 1 1 7 7 LYS C C 13 175.712 . . 1 . . . . 7 K C . 16824 1 51 . 1 1 7 7 LYS CA C 13 56.290 . . 1 . . . . 7 K CA . 16824 1 52 . 1 1 7 7 LYS CB C 13 33.230 . . 1 . . . . 7 K CB . 16824 1 53 . 1 1 7 7 LYS CD C 13 29.011 . . 1 . . . . 7 K CD . 16824 1 54 . 1 1 7 7 LYS CE C 13 42.163 . . 1 . . . . 7 K CE . 16824 1 55 . 1 1 7 7 LYS CG C 13 24.702 . . 1 . . . . 7 K CG . 16824 1 56 . 1 1 7 7 LYS N N 15 123.160 . . 1 . . . . 7 K N . 16824 1 57 . 1 1 8 8 HIS H H 1 8.331 . . 1 . . . . 8 H HN . 16824 1 58 . 1 1 8 8 HIS HA H 1 4.635 . . 1 . . . . 8 H HA . 16824 1 59 . 1 1 8 8 HIS HB2 H 1 3.144 . . 2 . . . . 8 H HB1 . 16824 1 60 . 1 1 8 8 HIS HB3 H 1 3.066 . . 2 . . . . 8 H HB2 . 16824 1 61 . 1 1 8 8 HIS HD2 H 1 7.075 . . 3 . . . . 8 H HD2 . 16824 1 62 . 1 1 8 8 HIS HE1 H 1 7.949 . . 3 . . . . 8 H HE1 . 16824 1 63 . 1 1 8 8 HIS C C 13 175.116 . . 1 . . . . 8 H C . 16824 1 64 . 1 1 8 8 HIS CA C 13 56.204 . . 1 . . . . 8 H CA . 16824 1 65 . 1 1 8 8 HIS CB C 13 30.762 . . 1 . . . . 8 H CB . 16824 1 66 . 1 1 8 8 HIS CD2 C 13 119.574 . . 1 . . . . 8 H CD2 . 16824 1 67 . 1 1 8 8 HIS CE1 C 13 137.959 . . 1 . . . . 8 H CE1 . 16824 1 68 . 1 1 8 8 HIS N N 15 121.154 . . 1 . . . . 8 H N . 16824 1 69 . 1 1 9 9 VAL H H 1 8.150 . . 1 . . . . 9 V HN . 16824 1 70 . 1 1 9 9 VAL HA H 1 4.179 . . 1 . . . . 9 V HA . 16824 1 71 . 1 1 9 9 VAL HB H 1 2.090 . . 1 . . . . 9 V HB . 16824 1 72 . 1 1 9 9 VAL HG11 H 1 0.936 . . 2 . . . . 9 V HG11 . 16824 1 73 . 1 1 9 9 VAL HG12 H 1 0.936 . . 2 . . . . 9 V HG11 . 16824 1 74 . 1 1 9 9 VAL HG13 H 1 0.936 . . 2 . . . . 9 V HG11 . 16824 1 75 . 1 1 9 9 VAL HG21 H 1 0.924 . . 2 . . . . 9 V HG21 . 16824 1 76 . 1 1 9 9 VAL HG22 H 1 0.924 . . 2 . . . . 9 V HG21 . 16824 1 77 . 1 1 9 9 VAL HG23 H 1 0.924 . . 2 . . . . 9 V HG21 . 16824 1 78 . 1 1 9 9 VAL C C 13 175.813 . . 1 . . . . 9 V C . 16824 1 79 . 1 1 9 9 VAL CA C 13 62.260 . . 1 . . . . 9 V CA . 16824 1 80 . 1 1 9 9 VAL CB C 13 33.040 . . 1 . . . . 9 V CB . 16824 1 81 . 1 1 9 9 VAL CG1 C 13 20.483 . . 1 . . . . 9 V CG1 . 16824 1 82 . 1 1 9 9 VAL CG2 C 13 21.050 . . 1 . . . . 9 V CG2 . 16824 1 83 . 1 1 9 9 VAL N N 15 122.060 . . 1 . . . . 9 V N . 16824 1 84 . 1 1 10 10 SER H H 1 8.540 . . 1 . . . . 10 S HN . 16824 1 85 . 1 1 10 10 SER HA H 1 4.559 . . 1 . . . . 10 S HA . 16824 1 86 . 1 1 10 10 SER HB2 H 1 3.940 . . 2 . . . . 10 S HB1 . 16824 1 87 . 1 1 10 10 SER HB3 H 1 3.920 . . 2 . . . . 10 S HB2 . 16824 1 88 . 1 1 10 10 SER CA C 13 58.250 . . 1 . . . . 10 S CA . 16824 1 89 . 1 1 10 10 SER CB C 13 63.930 . . 1 . . . . 10 S CB . 16824 1 90 . 1 1 10 10 SER N N 15 119.490 . . 1 . . . . 10 S N . 16824 1 91 . 1 1 11 11 HIS HA H 1 4.860 . . 1 . . . . 11 H HA . 16824 1 92 . 1 1 11 11 HIS HB2 H 1 3.305 . . 2 . . . . 11 H HB1 . 16824 1 93 . 1 1 11 11 HIS HB3 H 1 3.211 . . 2 . . . . 11 H HB2 . 16824 1 94 . 1 1 11 11 HIS HD2 H 1 7.138 . . 3 . . . . 11 H HD2 . 16824 1 95 . 1 1 11 11 HIS HE1 H 1 8.043 . . 3 . . . . 11 H HE1 . 16824 1 96 . 1 1 11 11 HIS C C 13 175.131 . . 1 . . . . 11 H C . 16824 1 97 . 1 1 11 11 HIS CA C 13 56.211 . . 1 . . . . 11 H CA . 16824 1 98 . 1 1 11 11 HIS CB C 13 30.940 . . 1 . . . . 11 H CB . 16824 1 99 . 1 1 11 11 HIS CE1 C 13 137.959 . . 1 . . . . 11 H CE1 . 16824 1 100 . 1 1 12 12 VAL H H 1 8.410 . . 1 . . . . 12 V HN . 16824 1 101 . 1 1 12 12 VAL HA H 1 4.233 . . 1 . . . . 12 V HA . 16824 1 102 . 1 1 12 12 VAL HB H 1 2.412 . . 1 . . . . 12 V HB . 16824 1 103 . 1 1 12 12 VAL HG11 H 1 1.178 . . 2 . . . . 12 V HG11 . 16824 1 104 . 1 1 12 12 VAL HG12 H 1 1.178 . . 2 . . . . 12 V HG11 . 16824 1 105 . 1 1 12 12 VAL HG13 H 1 1.178 . . 2 . . . . 12 V HG11 . 16824 1 106 . 1 1 12 12 VAL HG21 H 1 1.176 . . 2 . . . . 12 V HG21 . 16824 1 107 . 1 1 12 12 VAL HG22 H 1 1.176 . . 2 . . . . 12 V HG21 . 16824 1 108 . 1 1 12 12 VAL HG23 H 1 1.176 . . 2 . . . . 12 V HG21 . 16824 1 109 . 1 1 12 12 VAL C C 13 175.974 . . 1 . . . . 12 V C . 16824 1 110 . 1 1 12 12 VAL CA C 13 62.640 . . 1 . . . . 12 V CA . 16824 1 111 . 1 1 12 12 VAL CB C 13 32.850 . . 1 . . . . 12 V CB . 16824 1 112 . 1 1 12 12 VAL CG1 C 13 22.168 . . 2 . . . . 12 V CG1 . 16824 1 113 . 1 1 12 12 VAL CG2 C 13 21.520 . . 2 . . . . 12 V CG2 . 16824 1 114 . 1 1 12 12 VAL N N 15 120.200 . . 1 . . . . 12 V N . 16824 1 115 . 1 1 13 13 GLY H H 1 8.470 . . 1 . . . . 13 G HN . 16824 1 116 . 1 1 13 13 GLY HA2 H 1 4.187 . . 2 . . . . 13 G HA1 . 16824 1 117 . 1 1 13 13 GLY HA3 H 1 4.027 . . 2 . . . . 13 G HA2 . 16824 1 118 . 1 1 13 13 GLY C C 13 173.007 . . 1 . . . . 13 G C . 16824 1 119 . 1 1 13 13 GLY CA C 13 46.470 . . 1 . . . . 13 G CA . 16824 1 120 . 1 1 13 13 GLY N N 15 110.910 . . 1 . . . . 13 G N . 16824 1 121 . 1 1 14 14 TRP H H 1 7.760 . . 1 . . . . 14 W HN . 16824 1 122 . 1 1 14 14 TRP HA H 1 4.309 . . 1 . . . . 14 W HA . 16824 1 123 . 1 1 14 14 TRP HB2 H 1 2.607 . . 2 . . . . 14 W HB1 . 16824 1 124 . 1 1 14 14 TRP HB3 H 1 2.353 . . 2 . . . . 14 W HB2 . 16824 1 125 . 1 1 14 14 TRP HD1 H 1 5.715 . . 1 . . . . 14 W HD1 . 16824 1 126 . 1 1 14 14 TRP HE1 H 1 9.400 . . 3 . . . . 14 W HE1 . 16824 1 127 . 1 1 14 14 TRP HE3 H 1 6.510 . . 3 . . . . 14 W HE3 . 16824 1 128 . 1 1 14 14 TRP HH2 H 1 6.910 . . 1 . . . . 14 W HH2 . 16824 1 129 . 1 1 14 14 TRP HZ2 H 1 7.180 . . 3 . . . . 14 W HZ2 . 16824 1 130 . 1 1 14 14 TRP HZ3 H 1 6.540 . . 3 . . . . 14 W HZ3 . 16824 1 131 . 1 1 14 14 TRP C C 13 173.437 . . 1 . . . . 14 W C . 16824 1 132 . 1 1 14 14 TRP CA C 13 57.320 . . 1 . . . . 14 W CA . 16824 1 133 . 1 1 14 14 TRP CB C 13 31.380 . . 1 . . . . 14 W CB . 16824 1 134 . 1 1 14 14 TRP CD1 C 13 124.818 . . 1 . . . . 14 W CD1 . 16824 1 135 . 1 1 14 14 TRP CH2 C 13 123.200 . . 1 . . . . 14 W CH2 . 16824 1 136 . 1 1 14 14 TRP CZ2 C 13 113.000 . . 3 . . . . 14 W CZ2 . 16824 1 137 . 1 1 14 14 TRP N N 15 122.550 . . 1 . . . . 14 W N . 16824 1 138 . 1 1 14 14 TRP NE1 N 15 127.338 . . 1 . . . . 14 W NE1 . 16824 1 139 . 1 1 15 15 ASP H H 1 7.050 . . 1 . . . . 15 D HN . 16824 1 140 . 1 1 15 15 ASP HA H 1 4.206 . . 1 . . . . 15 D HA . 16824 1 141 . 1 1 15 15 ASP HB2 H 1 2.316 . . 2 . . . . 15 D HB1 . 16824 1 142 . 1 1 15 15 ASP HB3 H 1 2.451 . . 2 . . . . 15 D HB2 . 16824 1 143 . 1 1 15 15 ASP CA C 13 51.030 . . 1 . . . . 15 D CA . 16824 1 144 . 1 1 15 15 ASP CB C 13 44.430 . . 1 . . . . 15 D CB . 16824 1 145 . 1 1 15 15 ASP N N 15 127.420 . . 1 . . . . 15 D N . 16824 1 146 . 1 1 16 16 PRO HA H 1 3.593 . . 1 . . . . 16 P HA . 16824 1 147 . 1 1 16 16 PRO HB2 H 1 2.122 . . 2 . . . . 16 P HB1 . 16824 1 148 . 1 1 16 16 PRO HB3 H 1 1.730 . . 2 . . . . 16 P HB2 . 16824 1 149 . 1 1 16 16 PRO HD2 H 1 3.340 . . 2 . . . . 16 P HD1 . 16824 1 150 . 1 1 16 16 PRO HD3 H 1 2.950 . . 2 . . . . 16 P HD2 . 16824 1 151 . 1 1 16 16 PRO HG2 H 1 1.780 . . 2 . . . . 16 P HG1 . 16824 1 152 . 1 1 16 16 PRO HG3 H 1 1.786 . . 2 . . . . 16 P HG2 . 16824 1 153 . 1 1 16 16 PRO C C 13 177.255 . . 1 . . . . 16 P C . 16824 1 154 . 1 1 16 16 PRO CA C 13 63.667 . . 1 . . . . 16 P CA . 16824 1 155 . 1 1 16 16 PRO CB C 13 31.844 . . 1 . . . . 16 P CB . 16824 1 156 . 1 1 16 16 PRO CD C 13 50.107 . . 1 . . . . 16 P CD . 16824 1 157 . 1 1 16 16 PRO CG C 13 26.850 . . 1 . . . . 16 P CG . 16824 1 158 . 1 1 17 17 GLN H H 1 7.970 . . 1 . . . . 17 Q HN . 16824 1 159 . 1 1 17 17 GLN HA H 1 4.235 . . 1 . . . . 17 Q HA . 16824 1 160 . 1 1 17 17 GLN HB2 H 1 1.907 . . 2 . . . . 17 Q HB1 . 16824 1 161 . 1 1 17 17 GLN HB3 H 1 1.918 . . 2 . . . . 17 Q HB2 . 16824 1 162 . 1 1 17 17 GLN HE21 H 1 7.500 . . 2 . . . . 17 Q HE21 . 16824 1 163 . 1 1 17 17 GLN HE22 H 1 6.780 . . 2 . . . . 17 Q HE22 . 16824 1 164 . 1 1 17 17 GLN HG2 H 1 2.215 . . 2 . . . . 17 Q HG1 . 16824 1 165 . 1 1 17 17 GLN HG3 H 1 2.245 . . 2 . . . . 17 Q HG2 . 16824 1 166 . 1 1 17 17 GLN C C 13 176.736 . . 1 . . . . 17 Q C . 16824 1 167 . 1 1 17 17 GLN CA C 13 57.130 . . 1 . . . . 17 Q CA . 16824 1 168 . 1 1 17 17 GLN CB C 13 29.690 . . 1 . . . . 17 Q CB . 16824 1 169 . 1 1 17 17 GLN CG C 13 34.471 . . 1 . . . . 17 Q CG . 16824 1 170 . 1 1 17 17 GLN N N 15 115.180 . . 1 . . . . 17 Q N . 16824 1 171 . 1 1 17 17 GLN NE2 N 15 112.200 . . 1 . . . . 17 Q NE2 . 16824 1 172 . 1 1 18 18 ASN H H 1 8.470 . . 1 . . . . 18 N HN . 16824 1 173 . 1 1 18 18 ASN HA H 1 4.712 . . 1 . . . . 18 N HA . 16824 1 174 . 1 1 18 18 ASN HB2 H 1 2.727 . . 2 . . . . 18 N HB1 . 16824 1 175 . 1 1 18 18 ASN HB3 H 1 2.500 . . 2 . . . . 18 N HB2 . 16824 1 176 . 1 1 18 18 ASN HD21 H 1 7.850 . . 2 . . . . 18 N HD21 . 16824 1 177 . 1 1 18 18 ASN HD22 H 1 6.820 . . 2 . . . . 18 N HD22 . 16824 1 178 . 1 1 18 18 ASN C C 13 175.138 . . 1 . . . . 18 N C . 16824 1 179 . 1 1 18 18 ASN CA C 13 53.280 . . 1 . . . . 18 N CA . 16824 1 180 . 1 1 18 18 ASN CB C 13 39.980 . . 1 . . . . 18 N CB . 16824 1 181 . 1 1 18 18 ASN N N 15 116.380 . . 1 . . . . 18 N N . 16824 1 182 . 1 1 18 18 ASN ND2 N 15 115.200 . . 1 . . . . 18 N ND2 . 16824 1 183 . 1 1 19 19 GLY H H 1 7.840 . . 1 . . . . 19 G HN . 16824 1 184 . 1 1 19 19 GLY HA2 H 1 4.110 . . 2 . . . . 19 G HA1 . 16824 1 185 . 1 1 19 19 GLY HA3 H 1 3.581 . . 2 . . . . 19 G HA2 . 16824 1 186 . 1 1 19 19 GLY C C 13 175.631 . . 1 . . . . 19 G C . 16824 1 187 . 1 1 19 19 GLY CA C 13 45.350 . . 1 . . . . 19 G CA . 16824 1 188 . 1 1 19 19 GLY N N 15 107.790 . . 1 . . . . 19 G N . 16824 1 189 . 1 1 20 20 PHE H H 1 8.710 . . 1 . . . . 20 F HN . 16824 1 190 . 1 1 20 20 PHE HA H 1 4.853 . . 1 . . . . 20 F HA . 16824 1 191 . 1 1 20 20 PHE HB2 H 1 2.884 . . 2 . . . . 20 F HB1 . 16824 1 192 . 1 1 20 20 PHE HB3 H 1 2.936 . . 2 . . . . 20 F HB2 . 16824 1 193 . 1 1 20 20 PHE HD1 H 1 7.700 . . 3 . . . . 20 F HD1 . 16824 1 194 . 1 1 20 20 PHE HD2 H 1 7.700 . . 3 . . . . 20 F HD2 . 16824 1 195 . 1 1 20 20 PHE HE1 H 1 7.450 . . 3 . . . . 20 F HE1 . 16824 1 196 . 1 1 20 20 PHE HE2 H 1 7.450 . . 3 . . . . 20 F HE2 . 16824 1 197 . 1 1 20 20 PHE HZ H 1 7.060 . . 1 . . . . 20 F HZ . 16824 1 198 . 1 1 20 20 PHE C C 13 175.456 . . 1 . . . . 20 F C . 16824 1 199 . 1 1 20 20 PHE CA C 13 59.040 . . 1 . . . . 20 F CA . 16824 1 200 . 1 1 20 20 PHE CB C 13 40.330 . . 1 . . . . 20 F CB . 16824 1 201 . 1 1 20 20 PHE CD1 C 13 132.539 . . 3 . . . . 20 F CD1 . 16824 1 202 . 1 1 20 20 PHE CD2 C 13 132.539 . . 3 . . . . 20 F CD2 . 16824 1 203 . 1 1 20 20 PHE CE1 C 13 131.125 . . 3 . . . . 20 F CE1 . 16824 1 204 . 1 1 20 20 PHE CE2 C 13 131.125 . . 3 . . . . 20 F CE2 . 16824 1 205 . 1 1 20 20 PHE CZ C 13 128.833 . . 1 . . . . 20 F CZ . 16824 1 206 . 1 1 20 20 PHE N N 15 120.580 . . 1 . . . . 20 F N . 16824 1 207 . 1 1 21 21 ASP H H 1 8.330 . . 1 . . . . 21 D HN . 16824 1 208 . 1 1 21 21 ASP HA H 1 4.701 . . 1 . . . . 21 D HA . 16824 1 209 . 1 1 21 21 ASP HB2 H 1 2.950 . . 2 . . . . 21 D HB1 . 16824 1 210 . 1 1 21 21 ASP HB3 H 1 2.660 . . 2 . . . . 21 D HB2 . 16824 1 211 . 1 1 21 21 ASP C C 13 177.528 . . 1 . . . . 21 D C . 16824 1 212 . 1 1 21 21 ASP CA C 13 52.520 . . 1 . . . . 21 D CA . 16824 1 213 . 1 1 21 21 ASP CB C 13 39.760 . . 1 . . . . 21 D CB . 16824 1 214 . 1 1 21 21 ASP N N 15 119.530 . . 1 . . . . 21 D N . 16824 1 215 . 1 1 22 22 VAL H H 1 8.110 . . 1 . . . . 22 V HN . 16824 1 216 . 1 1 22 22 VAL HA H 1 3.761 . . 1 . . . . 22 V HA . 16824 1 217 . 1 1 22 22 VAL HB H 1 2.239 . . 1 . . . . 22 V HB . 16824 1 218 . 1 1 22 22 VAL HG11 H 1 1.036 . . 2 . . . . 22 V HG11 . 16824 1 219 . 1 1 22 22 VAL HG12 H 1 1.036 . . 2 . . . . 22 V HG11 . 16824 1 220 . 1 1 22 22 VAL HG13 H 1 1.036 . . 2 . . . . 22 V HG11 . 16824 1 221 . 1 1 22 22 VAL HG21 H 1 1.012 . . 2 . . . . 22 V HG21 . 16824 1 222 . 1 1 22 22 VAL HG22 H 1 1.012 . . 2 . . . . 22 V HG21 . 16824 1 223 . 1 1 22 22 VAL HG23 H 1 1.012 . . 2 . . . . 22 V HG21 . 16824 1 224 . 1 1 22 22 VAL C C 13 176.869 . . 1 . . . . 22 V C . 16824 1 225 . 1 1 22 22 VAL CA C 13 65.150 . . 1 . . . . 22 V CA . 16824 1 226 . 1 1 22 22 VAL CB C 13 31.470 . . 1 . . . . 22 V CB . 16824 1 227 . 1 1 22 22 VAL CG1 C 13 22.318 . . 2 . . . . 22 V CG1 . 16824 1 228 . 1 1 22 22 VAL CG2 C 13 20.389 . . 2 . . . . 22 V CG2 . 16824 1 229 . 1 1 22 22 VAL N N 15 122.440 . . 1 . . . . 22 V N . 16824 1 230 . 1 1 23 23 ASN H H 1 8.360 . . 1 . . . . 23 N HN . 16824 1 231 . 1 1 23 23 ASN HA H 1 4.647 . . 1 . . . . 23 N HA . 16824 1 232 . 1 1 23 23 ASN HB2 H 1 2.822 . . 2 . . . . 23 N HB1 . 16824 1 233 . 1 1 23 23 ASN HB3 H 1 2.824 . . 2 . . . . 23 N HB2 . 16824 1 234 . 1 1 23 23 ASN HD21 H 1 7.790 . . 2 . . . . 23 N HD21 . 16824 1 235 . 1 1 23 23 ASN HD22 H 1 7.010 . . 2 . . . . 23 N HD22 . 16824 1 236 . 1 1 23 23 ASN C C 13 175.608 . . 1 . . . . 23 N C . 16824 1 237 . 1 1 23 23 ASN CA C 13 54.940 . . 1 . . . . 23 N CA . 16824 1 238 . 1 1 23 23 ASN CB C 13 38.670 . . 1 . . . . 23 N CB . 16824 1 239 . 1 1 23 23 ASN N N 15 117.200 . . 1 . . . . 23 N N . 16824 1 240 . 1 1 23 23 ASN ND2 N 15 114.300 . . 1 . . . . 23 N ND2 . 16824 1 241 . 1 1 24 24 ASN H H 1 7.590 . . 1 . . . . 24 N HN . 16824 1 242 . 1 1 24 24 ASN HA H 1 5.011 . . 1 . . . . 24 N HA . 16824 1 243 . 1 1 24 24 ASN HB2 H 1 2.930 . . 2 . . . . 24 N HB1 . 16824 1 244 . 1 1 24 24 ASN HB3 H 1 2.392 . . 2 . . . . 24 N HB2 . 16824 1 245 . 1 1 24 24 ASN HD21 H 1 8.280 . . 2 . . . . 24 N HD21 . 16824 1 246 . 1 1 24 24 ASN HD22 H 1 6.870 . . 2 . . . . 24 N HD22 . 16824 1 247 . 1 1 24 24 ASN C C 13 173.895 . . 1 . . . . 24 N C . 16824 1 248 . 1 1 24 24 ASN CA C 13 52.390 . . 1 . . . . 24 N CA . 16824 1 249 . 1 1 24 24 ASN CB C 13 39.850 . . 1 . . . . 24 N CB . 16824 1 250 . 1 1 24 24 ASN N N 15 117.390 . . 1 . . . . 24 N N . 16824 1 251 . 1 1 24 24 ASN ND2 N 15 115.800 . . 1 . . . . 24 N ND2 . 16824 1 252 . 1 1 25 25 LEU H H 1 7.310 . . 1 . . . . 25 L HN . 16824 1 253 . 1 1 25 25 LEU HA H 1 4.405 . . 1 . . . . 25 L HA . 16824 1 254 . 1 1 25 25 LEU HB2 H 1 1.487 . . 2 . . . . 25 L HB1 . 16824 1 255 . 1 1 25 25 LEU HB3 H 1 1.721 . . 2 . . . . 25 L HB2 . 16824 1 256 . 1 1 25 25 LEU HD11 H 1 0.958 . . 4 . . . . 25 L HD11 . 16824 1 257 . 1 1 25 25 LEU HD12 H 1 0.958 . . 4 . . . . 25 L HD11 . 16824 1 258 . 1 1 25 25 LEU HD13 H 1 0.958 . . 4 . . . . 25 L HD11 . 16824 1 259 . 1 1 25 25 LEU HD21 H 1 1.019 . . 4 . . . . 25 L HD21 . 16824 1 260 . 1 1 25 25 LEU HD22 H 1 1.019 . . 4 . . . . 25 L HD21 . 16824 1 261 . 1 1 25 25 LEU HD23 H 1 1.019 . . 4 . . . . 25 L HD21 . 16824 1 262 . 1 1 25 25 LEU HG H 1 2.011 . . 1 . . . . 25 L HG . 16824 1 263 . 1 1 25 25 LEU C C 13 176.635 . . 1 . . . . 25 L C . 16824 1 264 . 1 1 25 25 LEU CA C 13 54.880 . . 1 . . . . 25 L CA . 16824 1 265 . 1 1 25 25 LEU CB C 13 43.980 . . 1 . . . . 25 L CB . 16824 1 266 . 1 1 25 25 LEU CD1 C 13 25.312 . . 1 . . . . 25 L CD1 . 16824 1 267 . 1 1 25 25 LEU CD2 C 13 25.564 . . 1 . . . . 25 L CD2 . 16824 1 268 . 1 1 25 25 LEU CG C 13 26.240 . . 1 . . . . 25 L CG . 16824 1 269 . 1 1 25 25 LEU N N 15 121.570 . . 1 . . . . 25 L N . 16824 1 270 . 1 1 26 26 ASP H H 1 8.640 . . 1 . . . . 26 D HN . 16824 1 271 . 1 1 26 26 ASP HA H 1 4.726 . . 1 . . . . 26 D HA . 16824 1 272 . 1 1 26 26 ASP HB2 H 1 2.844 . . 2 . . . . 26 D HB1 . 16824 1 273 . 1 1 26 26 ASP HB3 H 1 2.430 . . 2 . . . . 26 D HB2 . 16824 1 274 . 1 1 26 26 ASP CA C 13 52.900 . . 1 . . . . 26 D CA . 16824 1 275 . 1 1 26 26 ASP CB C 13 43.180 . . 1 . . . . 26 D CB . 16824 1 276 . 1 1 26 26 ASP N N 15 126.370 . . 1 . . . . 26 D N . 16824 1 277 . 1 1 27 27 PRO HA H 1 4.177 . . 1 . . . . 27 P HA . 16824 1 278 . 1 1 27 27 PRO HB2 H 1 2.382 . . 2 . . . . 27 P HB1 . 16824 1 279 . 1 1 27 27 PRO HB3 H 1 1.985 . . 2 . . . . 27 P HB2 . 16824 1 280 . 1 1 27 27 PRO HD2 H 1 3.899 . . 2 . . . . 27 P HD1 . 16824 1 281 . 1 1 27 27 PRO HD3 H 1 3.774 . . 2 . . . . 27 P HD2 . 16824 1 282 . 1 1 27 27 PRO HG2 H 1 2.074 . . 2 . . . . 27 P HG1 . 16824 1 283 . 1 1 27 27 PRO C C 13 179.309 . . 1 . . . . 27 P C . 16824 1 284 . 1 1 27 27 PRO CA C 13 65.530 . . 1 . . . . 27 P CA . 16824 1 285 . 1 1 27 27 PRO CB C 13 32.373 . . 1 . . . . 27 P CB . 16824 1 286 . 1 1 27 27 PRO CD C 13 51.050 . . 1 . . . . 27 P CD . 16824 1 287 . 1 1 27 27 PRO CG C 13 27.696 . . 1 . . . . 27 P CG . 16824 1 288 . 1 1 28 28 ASP H H 1 8.550 . . 1 . . . . 28 D HN . 16824 1 289 . 1 1 28 28 ASP HA H 1 4.566 . . 1 . . . . 28 D HA . 16824 1 290 . 1 1 28 28 ASP HB2 H 1 2.442 . . 2 . . . . 28 D HB1 . 16824 1 291 . 1 1 28 28 ASP HB3 H 1 2.614 . . 2 . . . . 28 D HB2 . 16824 1 292 . 1 1 28 28 ASP C C 13 178.681 . . 1 . . . . 28 D C . 16824 1 293 . 1 1 28 28 ASP CA C 13 57.650 . . 1 . . . . 28 D CA . 16824 1 294 . 1 1 28 28 ASP CB C 13 39.930 . . 1 . . . . 28 D CB . 16824 1 295 . 1 1 28 28 ASP N N 15 118.620 . . 1 . . . . 28 D N . 16824 1 296 . 1 1 29 29 LEU H H 1 7.660 . . 1 . . . . 29 L HN . 16824 1 297 . 1 1 29 29 LEU HA H 1 3.596 . . 1 . . . . 29 L HA . 16824 1 298 . 1 1 29 29 LEU HB2 H 1 1.684 . . 2 . . . . 29 L HB1 . 16824 1 299 . 1 1 29 29 LEU HB3 H 1 0.988 . . 2 . . . . 29 L HB2 . 16824 1 300 . 1 1 29 29 LEU HD11 H 1 0.621 . . 2 . . . . 29 L HD11 . 16824 1 301 . 1 1 29 29 LEU HD12 H 1 0.621 . . 2 . . . . 29 L HD11 . 16824 1 302 . 1 1 29 29 LEU HD13 H 1 0.621 . . 2 . . . . 29 L HD11 . 16824 1 303 . 1 1 29 29 LEU HD21 H 1 0.943 . . 2 . . . . 29 L HD21 . 16824 1 304 . 1 1 29 29 LEU HD22 H 1 0.943 . . 2 . . . . 29 L HD21 . 16824 1 305 . 1 1 29 29 LEU HD23 H 1 0.943 . . 2 . . . . 29 L HD21 . 16824 1 306 . 1 1 29 29 LEU HG H 1 1.407 . . 1 . . . . 29 L HG . 16824 1 307 . 1 1 29 29 LEU C C 13 177.244 . . 1 . . . . 29 L C . 16824 1 308 . 1 1 29 29 LEU CA C 13 56.800 . . 1 . . . . 29 L CA . 16824 1 309 . 1 1 29 29 LEU CB C 13 40.280 . . 1 . . . . 29 L CB . 16824 1 310 . 1 1 29 29 LEU CD1 C 13 22.903 . . 2 . . . . 29 L CD1 . 16824 1 311 . 1 1 29 29 LEU CD2 C 13 25.577 . . 2 . . . . 29 L CD2 . 16824 1 312 . 1 1 29 29 LEU CG C 13 26.372 . . 1 . . . . 29 L CG . 16824 1 313 . 1 1 29 29 LEU N N 15 119.980 . . 1 . . . . 29 L N . 16824 1 314 . 1 1 30 30 ARG H H 1 8.280 . . 1 . . . . 30 R HN . 16824 1 315 . 1 1 30 30 ARG HA H 1 3.733 . . 1 . . . . 30 R HA . 16824 1 316 . 1 1 30 30 ARG HB2 H 1 1.919 . . 2 . . . . 30 R HB1 . 16824 1 317 . 1 1 30 30 ARG HB3 H 1 1.744 . . 2 . . . . 30 R HB2 . 16824 1 318 . 1 1 30 30 ARG HD2 H 1 3.192 . . 2 . . . . 30 R HD1 . 16824 1 319 . 1 1 30 30 ARG HD3 H 1 3.304 . . 2 . . . . 30 R HD2 . 16824 1 320 . 1 1 30 30 ARG HG2 H 1 1.580 . . 2 . . . . 30 R HG1 . 16824 1 321 . 1 1 30 30 ARG HG3 H 1 1.690 . . 2 . . . . 30 R HG2 . 16824 1 322 . 1 1 30 30 ARG C C 13 179.313 . . 1 . . . . 30 R C . 16824 1 323 . 1 1 30 30 ARG CA C 13 60.090 . . 1 . . . . 30 R CA . 16824 1 324 . 1 1 30 30 ARG CB C 13 29.750 . . 1 . . . . 30 R CB . 16824 1 325 . 1 1 30 30 ARG CD C 13 43.357 . . 1 . . . . 30 R CD . 16824 1 326 . 1 1 30 30 ARG CG C 13 27.576 . . 1 . . . . 30 R CG . 16824 1 327 . 1 1 30 30 ARG N N 15 117.550 . . 1 . . . . 30 R N . 16824 1 328 . 1 1 31 31 SER H H 1 7.730 . . 1 . . . . 31 S HN . 16824 1 329 . 1 1 31 31 SER HA H 1 4.230 . . 1 . . . . 31 S HA . 16824 1 330 . 1 1 31 31 SER HB2 H 1 4.000 . . 2 . . . . 31 S HB1 . 16824 1 331 . 1 1 31 31 SER HB3 H 1 3.956 . . 2 . . . . 31 S HB2 . 16824 1 332 . 1 1 31 31 SER C C 13 176.073 . . 1 . . . . 31 S C . 16824 1 333 . 1 1 31 31 SER CA C 13 61.300 . . 1 . . . . 31 S CA . 16824 1 334 . 1 1 31 31 SER CB C 13 62.590 . . 1 . . . . 31 S CB . 16824 1 335 . 1 1 31 31 SER N N 15 113.840 . . 1 . . . . 31 S N . 16824 1 336 . 1 1 32 32 LEU H H 1 7.740 . . 1 . . . . 32 L HN . 16824 1 337 . 1 1 32 32 LEU HA H 1 3.916 . . 1 . . . . 32 L HA . 16824 1 338 . 1 1 32 32 LEU HB2 H 1 1.722 . . 2 . . . . 32 L HB1 . 16824 1 339 . 1 1 32 32 LEU HB3 H 1 1.567 . . 2 . . . . 32 L HB2 . 16824 1 340 . 1 1 32 32 LEU HD11 H 1 0.729 . . 2 . . . . 32 L HD11 . 16824 1 341 . 1 1 32 32 LEU HD12 H 1 0.729 . . 2 . . . . 32 L HD11 . 16824 1 342 . 1 1 32 32 LEU HD13 H 1 0.729 . . 2 . . . . 32 L HD11 . 16824 1 343 . 1 1 32 32 LEU HD21 H 1 0.900 . . 2 . . . . 32 L HD21 . 16824 1 344 . 1 1 32 32 LEU HD22 H 1 0.900 . . 2 . . . . 32 L HD21 . 16824 1 345 . 1 1 32 32 LEU HD23 H 1 0.900 . . 2 . . . . 32 L HD21 . 16824 1 346 . 1 1 32 32 LEU HG H 1 1.363 . . 1 . . . . 32 L HG . 16824 1 347 . 1 1 32 32 LEU C C 13 177.798 . . 1 . . . . 32 L C . 16824 1 348 . 1 1 32 32 LEU CA C 13 58.630 . . 1 . . . . 32 L CA . 16824 1 349 . 1 1 32 32 LEU CB C 13 40.790 . . 1 . . . . 32 L CB . 16824 1 350 . 1 1 32 32 LEU CD1 C 13 25.680 . . 2 . . . . 32 L CD1 . 16824 1 351 . 1 1 32 32 LEU CD2 C 13 23.435 . . 2 . . . . 32 L CD2 . 16824 1 352 . 1 1 32 32 LEU CG C 13 27.584 . . 1 . . . . 32 L CG . 16824 1 353 . 1 1 32 32 LEU N N 15 123.630 . . 1 . . . . 32 L N . 16824 1 354 . 1 1 33 33 PHE H H 1 8.380 . . 1 . . . . 33 F HN . 16824 1 355 . 1 1 33 33 PHE HA H 1 4.453 . . 1 . . . . 33 F HA . 16824 1 356 . 1 1 33 33 PHE HB2 H 1 3.170 . . 2 . . . . 33 F HB1 . 16824 1 357 . 1 1 33 33 PHE HB3 H 1 3.109 . . 2 . . . . 33 F HB2 . 16824 1 358 . 1 1 33 33 PHE HD1 H 1 6.776 . . 3 . . . . 33 F HD1 . 16824 1 359 . 1 1 33 33 PHE HD2 H 1 6.776 . . 3 . . . . 33 F HD2 . 16824 1 360 . 1 1 33 33 PHE HE1 H 1 6.623 . . 3 . . . . 33 F HE1 . 16824 1 361 . 1 1 33 33 PHE HE2 H 1 6.623 . . 3 . . . . 33 F HE2 . 16824 1 362 . 1 1 33 33 PHE HZ H 1 6.430 . . 1 . . . . 33 F HZ . 16824 1 363 . 1 1 33 33 PHE C C 13 178.011 . . 1 . . . . 33 F C . 16824 1 364 . 1 1 33 33 PHE CA C 13 57.410 . . 1 . . . . 33 F CA . 16824 1 365 . 1 1 33 33 PHE CB C 13 36.150 . . 1 . . . . 33 F CB . 16824 1 366 . 1 1 33 33 PHE CD1 C 13 130.000 . . 3 . . . . 33 F CD1 . 16824 1 367 . 1 1 33 33 PHE CD2 C 13 130.200 . . 3 . . . . 33 F CD2 . 16824 1 368 . 1 1 33 33 PHE CE1 C 13 130.200 . . 3 . . . . 33 F CE1 . 16824 1 369 . 1 1 33 33 PHE CE2 C 13 130.000 . . 3 . . . . 33 F CE2 . 16824 1 370 . 1 1 33 33 PHE CZ C 13 128.625 . . 1 . . . . 33 F CZ . 16824 1 371 . 1 1 33 33 PHE N N 15 116.010 . . 1 . . . . 33 F N . 16824 1 372 . 1 1 34 34 SER H H 1 8.220 . . 1 . . . . 34 S HN . 16824 1 373 . 1 1 34 34 SER HA H 1 4.397 . . 1 . . . . 34 S HA . 16824 1 374 . 1 1 34 34 SER HB2 H 1 4.087 . . 2 . . . . 34 S HB1 . 16824 1 375 . 1 1 34 34 SER HB3 H 1 4.053 . . 2 . . . . 34 S HB2 . 16824 1 376 . 1 1 34 34 SER C C 13 178.630 . . 1 . . . . 34 S C . 16824 1 377 . 1 1 34 34 SER CA C 13 61.430 . . 1 . . . . 34 S CA . 16824 1 378 . 1 1 34 34 SER CB C 13 62.570 . . 1 . . . . 34 S CB . 16824 1 379 . 1 1 34 34 SER N N 15 114.260 . . 1 . . . . 34 S N . 16824 1 380 . 1 1 35 35 ARG H H 1 8.420 . . 1 . . . . 35 R HN . 16824 1 381 . 1 1 35 35 ARG HA H 1 4.118 . . 1 . . . . 35 R HA . 16824 1 382 . 1 1 35 35 ARG HB2 H 1 1.923 . . 2 . . . . 35 R HB1 . 16824 1 383 . 1 1 35 35 ARG HB3 H 1 1.855 . . 2 . . . . 35 R HB2 . 16824 1 384 . 1 1 35 35 ARG HD2 H 1 3.154 . . 2 . . . . 35 R HD1 . 16824 1 385 . 1 1 35 35 ARG HD3 H 1 3.156 . . 2 . . . . 35 R HD2 . 16824 1 386 . 1 1 35 35 ARG HG2 H 1 1.711 . . 2 . . . . 35 R HG1 . 16824 1 387 . 1 1 35 35 ARG HG3 H 1 1.883 . . 2 . . . . 35 R HG2 . 16824 1 388 . 1 1 35 35 ARG C C 13 177.647 . . 1 . . . . 35 R C . 16824 1 389 . 1 1 35 35 ARG CA C 13 59.030 . . 1 . . . . 35 R CA . 16824 1 390 . 1 1 35 35 ARG CB C 13 30.130 . . 1 . . . . 35 R CB . 16824 1 391 . 1 1 35 35 ARG CD C 13 43.663 . . 1 . . . . 35 R CD . 16824 1 392 . 1 1 35 35 ARG CG C 13 27.838 . . 1 . . . . 35 R CG . 16824 1 393 . 1 1 35 35 ARG N N 15 122.540 . . 1 . . . . 35 R N . 16824 1 394 . 1 1 36 36 ALA H H 1 8.020 . . 1 . . . . 36 A HN . 16824 1 395 . 1 1 36 36 ALA HA H 1 4.471 . . 1 . . . . 36 A HA . 16824 1 396 . 1 1 36 36 ALA HB1 H 1 1.513 . . 1 . . . . 36 A HB1 . 16824 1 397 . 1 1 36 36 ALA HB2 H 1 1.513 . . 1 . . . . 36 A HB1 . 16824 1 398 . 1 1 36 36 ALA HB3 H 1 1.513 . . 1 . . . . 36 A HB1 . 16824 1 399 . 1 1 36 36 ALA C C 13 175.590 . . 1 . . . . 36 A C . 16824 1 400 . 1 1 36 36 ALA CA C 13 52.080 . . 1 . . . . 36 A CA . 16824 1 401 . 1 1 36 36 ALA CB C 13 19.670 . . 1 . . . . 36 A CB . 16824 1 402 . 1 1 36 36 ALA N N 15 118.890 . . 1 . . . . 36 A N . 16824 1 403 . 1 1 37 37 GLY H H 1 7.600 . . 1 . . . . 37 G HN . 16824 1 404 . 1 1 37 37 GLY HA2 H 1 3.727 . . 2 . . . . 37 G HA1 . 16824 1 405 . 1 1 37 37 GLY HA3 H 1 4.076 . . 2 . . . . 37 G HA2 . 16824 1 406 . 1 1 37 37 GLY C C 13 174.122 . . 1 . . . . 37 G C . 16824 1 407 . 1 1 37 37 GLY CA C 13 46.410 . . 1 . . . . 37 G CA . 16824 1 408 . 1 1 37 37 GLY N N 15 104.900 . . 1 . . . . 37 G N . 16824 1 409 . 1 1 38 38 ILE H H 1 7.960 . . 1 . . . . 38 I HN . 16824 1 410 . 1 1 38 38 ILE HA H 1 4.287 . . 1 . . . . 38 I HA . 16824 1 411 . 1 1 38 38 ILE HB H 1 1.588 . . 1 . . . . 38 I HB . 16824 1 412 . 1 1 38 38 ILE HD11 H 1 0.611 . . 1 . . . . 38 I HD11 . 16824 1 413 . 1 1 38 38 ILE HD12 H 1 0.611 . . 1 . . . . 38 I HD11 . 16824 1 414 . 1 1 38 38 ILE HD13 H 1 0.611 . . 1 . . . . 38 I HD11 . 16824 1 415 . 1 1 38 38 ILE HG12 H 1 0.924 . . 1 . . . . 38 I HG11 . 16824 1 416 . 1 1 38 38 ILE HG13 H 1 1.424 . . 1 . . . . 38 I HG12 . 16824 1 417 . 1 1 38 38 ILE HG21 H 1 0.663 . . 2 . . . . 38 I HG21 . 16824 1 418 . 1 1 38 38 ILE HG22 H 1 0.663 . . 2 . . . . 38 I HG21 . 16824 1 419 . 1 1 38 38 ILE HG23 H 1 0.663 . . 2 . . . . 38 I HG21 . 16824 1 420 . 1 1 38 38 ILE C C 13 176.096 . . 1 . . . . 38 I C . 16824 1 421 . 1 1 38 38 ILE CA C 13 59.990 . . 1 . . . . 38 I CA . 16824 1 422 . 1 1 38 38 ILE CB C 13 38.510 . . 1 . . . . 38 I CB . 16824 1 423 . 1 1 38 38 ILE CD1 C 13 13.479 . . 1 . . . . 38 I CD1 . 16824 1 424 . 1 1 38 38 ILE CG1 C 13 27.916 . . 2 . . . . 38 I CG1 . 16824 1 425 . 1 1 38 38 ILE CG2 C 13 17.613 . . 2 . . . . 38 I CG2 . 16824 1 426 . 1 1 38 38 ILE N N 15 121.110 . . 1 . . . . 38 I N . 16824 1 427 . 1 1 39 39 SER H H 1 8.820 . . 1 . . . . 39 S HN . 16824 1 428 . 1 1 39 39 SER HA H 1 4.644 . . 1 . . . . 39 S HA . 16824 1 429 . 1 1 39 39 SER HB2 H 1 3.844 . . 2 . . . . 39 S HB1 . 16824 1 430 . 1 1 39 39 SER HB3 H 1 4.376 . . 2 . . . . 39 S HB2 . 16824 1 431 . 1 1 39 39 SER C C 13 175.150 . . 1 . . . . 39 S C . 16824 1 432 . 1 1 39 39 SER CA C 13 56.710 . . 1 . . . . 39 S CA . 16824 1 433 . 1 1 39 39 SER CB C 13 66.130 . . 1 . . . . 39 S CB . 16824 1 434 . 1 1 39 39 SER N N 15 124.030 . . 1 . . . . 39 S N . 16824 1 435 . 1 1 40 40 GLU H H 1 9.000 . . 1 . . . . 40 E HN . 16824 1 436 . 1 1 40 40 GLU HA H 1 3.869 . . 1 . . . . 40 E HA . 16824 1 437 . 1 1 40 40 GLU HB2 H 1 2.090 . . 2 . . . . 40 E HB1 . 16824 1 438 . 1 1 40 40 GLU HB3 H 1 2.100 . . 2 . . . . 40 E HB2 . 16824 1 439 . 1 1 40 40 GLU HG2 H 1 2.289 . . 2 . . . . 40 E HG1 . 16824 1 440 . 1 1 40 40 GLU HG3 H 1 2.424 . . 2 . . . . 40 E HG2 . 16824 1 441 . 1 1 40 40 GLU C C 13 178.614 . . 1 . . . . 40 E C . 16824 1 442 . 1 1 40 40 GLU CA C 13 60.640 . . 1 . . . . 40 E CA . 16824 1 443 . 1 1 40 40 GLU CB C 13 29.170 . . 1 . . . . 40 E CB . 16824 1 444 . 1 1 40 40 GLU CG C 13 37.480 . . 1 . . . . 40 E CG . 16824 1 445 . 1 1 40 40 GLU N N 15 120.850 . . 1 . . . . 40 E N . 16824 1 446 . 1 1 41 41 ALA H H 1 8.160 . . 1 . . . . 41 A HN . 16824 1 447 . 1 1 41 41 ALA HA H 1 4.121 . . 1 . . . . 41 A HA . 16824 1 448 . 1 1 41 41 ALA HB1 H 1 1.408 . . 1 . . . . 41 A HB1 . 16824 1 449 . 1 1 41 41 ALA HB2 H 1 1.408 . . 1 . . . . 41 A HB1 . 16824 1 450 . 1 1 41 41 ALA HB3 H 1 1.408 . . 1 . . . . 41 A HB1 . 16824 1 451 . 1 1 41 41 ALA C C 13 180.477 . . 1 . . . . 41 A C . 16824 1 452 . 1 1 41 41 ALA CA C 13 54.680 . . 1 . . . . 41 A CA . 16824 1 453 . 1 1 41 41 ALA CB C 13 18.189 . . 1 . . . . 41 A CB . 16824 1 454 . 1 1 41 41 ALA N N 15 119.930 . . 1 . . . . 41 A N . 16824 1 455 . 1 1 42 42 GLN H H 1 7.520 . . 1 . . . . 42 Q HN . 16824 1 456 . 1 1 42 42 GLN HA H 1 4.046 . . 1 . . . . 42 Q HA . 16824 1 457 . 1 1 42 42 GLN HB2 H 1 2.551 . . 2 . . . . 42 Q HB1 . 16824 1 458 . 1 1 42 42 GLN HB3 H 1 1.648 . . 2 . . . . 42 Q HB2 . 16824 1 459 . 1 1 42 42 GLN HE21 H 1 7.510 . . 2 . . . . 42 Q HE21 . 16824 1 460 . 1 1 42 42 GLN HE22 H 1 6.840 . . 2 . . . . 42 Q HE22 . 16824 1 461 . 1 1 42 42 GLN HG2 H 1 2.550 . . 2 . . . . 42 Q HG1 . 16824 1 462 . 1 1 42 42 GLN HG3 H 1 2.379 . . 2 . . . . 42 Q HG2 . 16824 1 463 . 1 1 42 42 GLN C C 13 177.259 . . 1 . . . . 42 Q C . 16824 1 464 . 1 1 42 42 GLN CA C 13 59.100 . . 1 . . . . 42 Q CA . 16824 1 465 . 1 1 42 42 GLN CB C 13 29.920 . . 1 . . . . 42 Q CB . 16824 1 466 . 1 1 42 42 GLN CG C 13 35.903 . . 1 . . . . 42 Q CG . 16824 1 467 . 1 1 42 42 GLN N N 15 117.210 . . 1 . . . . 42 Q N . 16824 1 468 . 1 1 42 42 GLN NE2 N 15 110.800 . . 1 . . . . 42 Q NE2 . 16824 1 469 . 1 1 43 43 LEU H H 1 7.500 . . 1 . . . . 43 L HN . 16824 1 470 . 1 1 43 43 LEU HA H 1 4.007 . . 1 . . . . 43 L HA . 16824 1 471 . 1 1 43 43 LEU HB2 H 1 2.118 . . 2 . . . . 43 L HB1 . 16824 1 472 . 1 1 43 43 LEU HB3 H 1 1.440 . . 2 . . . . 43 L HB2 . 16824 1 473 . 1 1 43 43 LEU HD11 H 1 0.672 . . 4 . . . . 43 L HD11 . 16824 1 474 . 1 1 43 43 LEU HD12 H 1 0.672 . . 4 . . . . 43 L HD11 . 16824 1 475 . 1 1 43 43 LEU HD13 H 1 0.672 . . 4 . . . . 43 L HD11 . 16824 1 476 . 1 1 43 43 LEU HD21 H 1 -0.137 . . 4 . . . . 43 L HD21 . 16824 1 477 . 1 1 43 43 LEU HD22 H 1 -0.137 . . 4 . . . . 43 L HD21 . 16824 1 478 . 1 1 43 43 LEU HD23 H 1 -0.137 . . 4 . . . . 43 L HD21 . 16824 1 479 . 1 1 43 43 LEU HG H 1 1.678 . . 1 . . . . 43 L HG . 16824 1 480 . 1 1 43 43 LEU C C 13 177.590 . . 1 . . . . 43 L C . 16824 1 481 . 1 1 43 43 LEU CA C 13 56.610 . . 1 . . . . 43 L CA . 16824 1 482 . 1 1 43 43 LEU CB C 13 42.270 . . 1 . . . . 43 L CB . 16824 1 483 . 1 1 43 43 LEU CD1 C 13 25.800 . . 1 . . . . 43 L CD1 . 16824 1 484 . 1 1 43 43 LEU CD2 C 13 23.066 . . 1 . . . . 43 L CD2 . 16824 1 485 . 1 1 43 43 LEU CG C 13 25.978 . . 1 . . . . 43 L CG . 16824 1 486 . 1 1 43 43 LEU N N 15 114.580 . . 1 . . . . 43 L N . 16824 1 487 . 1 1 44 44 THR H H 1 7.560 . . 1 . . . . 44 T HN . 16824 1 488 . 1 1 44 44 THR HA H 1 4.752 . . 1 . . . . 44 T HA . 16824 1 489 . 1 1 44 44 THR HB H 1 4.621 . . 1 . . . . 44 T HB . 16824 1 490 . 1 1 44 44 THR HG21 H 1 1.443 . . 1 . . . . 44 T HG21 . 16824 1 491 . 1 1 44 44 THR HG22 H 1 1.443 . . 1 . . . . 44 T HG21 . 16824 1 492 . 1 1 44 44 THR HG23 H 1 1.443 . . 1 . . . . 44 T HG21 . 16824 1 493 . 1 1 44 44 THR C C 13 173.311 . . 1 . . . . 44 T C . 16824 1 494 . 1 1 44 44 THR CA C 13 61.380 . . 1 . . . . 44 T CA . 16824 1 495 . 1 1 44 44 THR CB C 13 69.250 . . 1 . . . . 44 T CB . 16824 1 496 . 1 1 44 44 THR CG2 C 13 21.873 . . 1 . . . . 44 T CG2 . 16824 1 497 . 1 1 44 44 THR N N 15 106.040 . . 1 . . . . 44 T N . 16824 1 498 . 1 1 45 45 ASP H H 1 7.190 . . 1 . . . . 45 D HN . 16824 1 499 . 1 1 45 45 ASP HA H 1 4.762 . . 1 . . . . 45 D HA . 16824 1 500 . 1 1 45 45 ASP HB2 H 1 3.019 . . 2 . . . . 45 D HB1 . 16824 1 501 . 1 1 45 45 ASP HB3 H 1 2.942 . . 2 . . . . 45 D HB2 . 16824 1 502 . 1 1 45 45 ASP C C 13 177.441 . . 1 . . . . 45 D C . 16824 1 503 . 1 1 45 45 ASP CA C 13 53.740 . . 1 . . . . 45 D CA . 16824 1 504 . 1 1 45 45 ASP CB C 13 43.570 . . 1 . . . . 45 D CB . 16824 1 505 . 1 1 45 45 ASP N N 15 123.530 . . 1 . . . . 45 D N . 16824 1 506 . 1 1 46 46 ALA H H 1 9.220 . . 1 . . . . 46 A HN . 16824 1 507 . 1 1 46 46 ALA HA H 1 3.811 . . 1 . . . . 46 A HA . 16824 1 508 . 1 1 46 46 ALA HB1 H 1 1.531 . . 1 . . . . 46 A HB1 . 16824 1 509 . 1 1 46 46 ALA HB2 H 1 1.531 . . 1 . . . . 46 A HB1 . 16824 1 510 . 1 1 46 46 ALA HB3 H 1 1.531 . . 1 . . . . 46 A HB1 . 16824 1 511 . 1 1 46 46 ALA C C 13 179.666 . . 1 . . . . 46 A C . 16824 1 512 . 1 1 46 46 ALA CA C 13 56.800 . . 1 . . . . 46 A CA . 16824 1 513 . 1 1 46 46 ALA CB C 13 18.570 . . 1 . . . . 46 A CB . 16824 1 514 . 1 1 46 46 ALA N N 15 105.700 . . 1 . . . . 46 A N . 16824 1 515 . 1 1 47 47 GLU H H 1 8.540 . . 1 . . . . 47 E HN . 16824 1 516 . 1 1 47 47 GLU HA H 1 4.191 . . 1 . . . . 47 E HA . 16824 1 517 . 1 1 47 47 GLU HB2 H 1 2.169 . . 2 . . . . 47 E HB1 . 16824 1 518 . 1 1 47 47 GLU HB3 H 1 2.171 . . 2 . . . . 47 E HB2 . 16824 1 519 . 1 1 47 47 GLU HG2 H 1 2.290 . . 2 . . . . 47 E HG1 . 16824 1 520 . 1 1 47 47 GLU HG3 H 1 2.397 . . 2 . . . . 47 E HG2 . 16824 1 521 . 1 1 47 47 GLU C C 13 179.522 . . 1 . . . . 47 E C . 16824 1 522 . 1 1 47 47 GLU CA C 13 59.610 . . 1 . . . . 47 E CA . 16824 1 523 . 1 1 47 47 GLU CB C 13 29.740 . . 1 . . . . 47 E CB . 16824 1 524 . 1 1 47 47 GLU CG C 13 36.611 . . 1 . . . . 47 E CG . 16824 1 525 . 1 1 47 47 GLU N N 15 117.610 . . 1 . . . . 47 E N . 16824 1 526 . 1 1 48 48 THR H H 1 8.820 . . 1 . . . . 48 T HN . 16824 1 527 . 1 1 48 48 THR HA H 1 3.815 . . 1 . . . . 48 T HA . 16824 1 528 . 1 1 48 48 THR HB H 1 4.582 . . 1 . . . . 48 T HB . 16824 1 529 . 1 1 48 48 THR HG21 H 1 1.171 . . 1 . . . . 48 T HG21 . 16824 1 530 . 1 1 48 48 THR HG22 H 1 1.171 . . 1 . . . . 48 T HG21 . 16824 1 531 . 1 1 48 48 THR HG23 H 1 1.171 . . 1 . . . . 48 T HG21 . 16824 1 532 . 1 1 48 48 THR C C 13 176.684 . . 1 . . . . 48 T C . 16824 1 533 . 1 1 48 48 THR CA C 13 67.230 . . 1 . . . . 48 T CA . 16824 1 534 . 1 1 48 48 THR CB C 13 67.780 . . 1 . . . . 48 T CB . 16824 1 535 . 1 1 48 48 THR CG2 C 13 22.404 . . 1 . . . . 48 T CG2 . 16824 1 536 . 1 1 48 48 THR N N 15 117.600 . . 1 . . . . 48 T N . 16824 1 537 . 1 1 49 49 SER H H 1 8.794 . . 1 . . . . 49 S HN . 16824 1 538 . 1 1 49 49 SER HA H 1 4.102 . . 1 . . . . 49 S HA . 16824 1 539 . 1 1 49 49 SER HB2 H 1 4.462 . . 2 . . . . 49 S HB2 . 16824 1 540 . 1 1 49 49 SER C C 13 176.076 . . 1 . . . . 49 S C . 16824 1 541 . 1 1 49 49 SER CA C 13 62.802 . . 1 . . . . 49 S CA . 16824 1 542 . 1 1 49 49 SER CB C 13 62.999 . . 1 . . . . 49 S CB . 16824 1 543 . 1 1 49 49 SER N N 15 116.094 . . 1 . . . . 49 S N . 16824 1 544 . 1 1 50 50 LYS H H 1 7.510 . . 1 . . . . 50 K HN . 16824 1 545 . 1 1 50 50 LYS HA H 1 3.742 . . 1 . . . . 50 K HA . 16824 1 546 . 1 1 50 50 LYS HB2 H 1 2.079 . . 2 . . . . 50 K HB1 . 16824 1 547 . 1 1 50 50 LYS HB3 H 1 2.172 . . 2 . . . . 50 K HB2 . 16824 1 548 . 1 1 50 50 LYS HD2 H 1 1.542 . . 2 . . . . 50 K HD1 . 16824 1 549 . 1 1 50 50 LYS HD3 H 1 1.831 . . 2 . . . . 50 K HD2 . 16824 1 550 . 1 1 50 50 LYS HE2 H 1 3.046 . . 2 . . . . 50 K HE2 . 16824 1 551 . 1 1 50 50 LYS HG2 H 1 1.388 . . 2 . . . . 50 K HG1 . 16824 1 552 . 1 1 50 50 LYS HG3 H 1 1.509 . . 2 . . . . 50 K HG2 . 16824 1 553 . 1 1 50 50 LYS C C 13 177.248 . . 1 . . . . 50 K C . 16824 1 554 . 1 1 50 50 LYS CA C 13 59.210 . . 1 . . . . 50 K CA . 16824 1 555 . 1 1 50 50 LYS CB C 13 32.340 . . 1 . . . . 50 K CB . 16824 1 556 . 1 1 50 50 LYS CD C 13 28.501 . . 1 . . . . 50 K CD . 16824 1 557 . 1 1 50 50 LYS CE C 13 42.560 . . 1 . . . . 50 K CE . 16824 1 558 . 1 1 50 50 LYS CG C 13 25.022 . . 1 . . . . 50 K CG . 16824 1 559 . 1 1 50 50 LYS N N 15 124.570 . . 1 . . . . 50 K N . 16824 1 560 . 1 1 51 51 LEU H H 1 7.290 . . 1 . . . . 51 L HN . 16824 1 561 . 1 1 51 51 LEU HA H 1 4.240 . . 1 . . . . 51 L HA . 16824 1 562 . 1 1 51 51 LEU HB2 H 1 2.110 . . 2 . . . . 51 L HB1 . 16824 1 563 . 1 1 51 51 LEU HB3 H 1 1.166 . . 2 . . . . 51 L HB2 . 16824 1 564 . 1 1 51 51 LEU HD11 H 1 0.720 . . 2 . . . . 51 L HD11 . 16824 1 565 . 1 1 51 51 LEU HD12 H 1 0.720 . . 2 . . . . 51 L HD11 . 16824 1 566 . 1 1 51 51 LEU HD13 H 1 0.720 . . 2 . . . . 51 L HD11 . 16824 1 567 . 1 1 51 51 LEU HD21 H 1 0.495 . . 4 . . . . 51 L HD21 . 16824 1 568 . 1 1 51 51 LEU HD22 H 1 0.495 . . 4 . . . . 51 L HD21 . 16824 1 569 . 1 1 51 51 LEU HD23 H 1 0.495 . . 4 . . . . 51 L HD21 . 16824 1 570 . 1 1 51 51 LEU HG H 1 1.784 . . 1 . . . . 51 L HG . 16824 1 571 . 1 1 51 51 LEU C C 13 180.726 . . 1 . . . . 51 L C . 16824 1 572 . 1 1 51 51 LEU CA C 13 57.760 . . 1 . . . . 51 L CA . 16824 1 573 . 1 1 51 51 LEU CB C 13 42.770 . . 1 . . . . 51 L CB . 16824 1 574 . 1 1 51 51 LEU CD1 C 13 26.636 . . 1 . . . . 51 L CD1 . 16824 1 575 . 1 1 51 51 LEU CD2 C 13 22.987 . . 1 . . . . 51 L CD2 . 16824 1 576 . 1 1 51 51 LEU CG C 13 26.946 . . 1 . . . . 51 L CG . 16824 1 577 . 1 1 51 51 LEU N N 15 117.280 . . 1 . . . . 51 L N . 16824 1 578 . 1 1 52 52 ILE H H 1 7.710 . . 1 . . . . 52 I HN . 16824 1 579 . 1 1 52 52 ILE HA H 1 3.553 . . 1 . . . . 52 I HA . 16824 1 580 . 1 1 52 52 ILE HB H 1 2.105 . . 1 . . . . 52 I HB . 16824 1 581 . 1 1 52 52 ILE HD11 H 1 0.542 . . 1 . . . . 52 I HD11 . 16824 1 582 . 1 1 52 52 ILE HD12 H 1 0.542 . . 1 . . . . 52 I HD11 . 16824 1 583 . 1 1 52 52 ILE HD13 H 1 0.542 . . 1 . . . . 52 I HD11 . 16824 1 584 . 1 1 52 52 ILE HG12 H 1 0.727 . . 1 . . . . 52 I HG11 . 16824 1 585 . 1 1 52 52 ILE HG13 H 1 2.044 . . 1 . . . . 52 I HG12 . 16824 1 586 . 1 1 52 52 ILE HG21 H 1 0.862 . . 2 . . . . 52 I HG21 . 16824 1 587 . 1 1 52 52 ILE HG22 H 1 0.862 . . 2 . . . . 52 I HG21 . 16824 1 588 . 1 1 52 52 ILE HG23 H 1 0.862 . . 2 . . . . 52 I HG21 . 16824 1 589 . 1 1 52 52 ILE C C 13 176.675 . . 1 . . . . 52 I C . 16824 1 590 . 1 1 52 52 ILE CA C 13 65.790 . . 1 . . . . 52 I CA . 16824 1 591 . 1 1 52 52 ILE CB C 13 38.530 . . 1 . . . . 52 I CB . 16824 1 592 . 1 1 52 52 ILE CD1 C 13 14.673 . . 1 . . . . 52 I CD1 . 16824 1 593 . 1 1 52 52 ILE CG1 C 13 30.037 . . 2 . . . . 52 I CG1 . 16824 1 594 . 1 1 52 52 ILE CG2 C 13 19.045 . . 2 . . . . 52 I CG2 . 16824 1 595 . 1 1 52 52 ILE N N 15 119.480 . . 1 . . . . 52 I N . 16824 1 596 . 1 1 53 53 TYR H H 1 8.820 . . 1 . . . . 53 Y HN . 16824 1 597 . 1 1 53 53 TYR HA H 1 3.863 . . 1 . . . . 53 Y HA . 16824 1 598 . 1 1 53 53 TYR HB2 H 1 2.270 . . 2 . . . . 53 Y HB1 . 16824 1 599 . 1 1 53 53 TYR HB3 H 1 1.930 . . 2 . . . . 53 Y HB2 . 16824 1 600 . 1 1 53 53 TYR HD1 H 1 6.517 . . 3 . . . . 53 Y HD1 . 16824 1 601 . 1 1 53 53 TYR HD2 H 1 6.517 . . 3 . . . . 53 Y HD2 . 16824 1 602 . 1 1 53 53 TYR HE1 H 1 6.687 . . 3 . . . . 53 Y HE1 . 16824 1 603 . 1 1 53 53 TYR HE2 H 1 6.687 . . 3 . . . . 53 Y HE2 . 16824 1 604 . 1 1 53 53 TYR C C 13 177.347 . . 1 . . . . 53 Y C . 16824 1 605 . 1 1 53 53 TYR CA C 13 62.750 . . 1 . . . . 53 Y CA . 16824 1 606 . 1 1 53 53 TYR CB C 13 37.620 . . 1 . . . . 53 Y CB . 16824 1 607 . 1 1 53 53 TYR CD1 C 13 132.723 . . 3 . . . . 53 Y CD1 . 16824 1 608 . 1 1 53 53 TYR CD2 C 13 132.723 . . 3 . . . . 53 Y CD2 . 16824 1 609 . 1 1 53 53 TYR CE1 C 13 117.839 . . 3 . . . . 53 Y CE1 . 16824 1 610 . 1 1 53 53 TYR CE2 C 13 117.839 . . 3 . . . . 53 Y CE2 . 16824 1 611 . 1 1 53 53 TYR N N 15 122.070 . . 1 . . . . 53 Y N . 16824 1 612 . 1 1 54 54 ASP H H 1 8.840 . . 1 . . . . 54 D HN . 16824 1 613 . 1 1 54 54 ASP HA H 1 4.112 . . 1 . . . . 54 D HA . 16824 1 614 . 1 1 54 54 ASP HB2 H 1 2.648 . . 2 . . . . 54 D HB1 . 16824 1 615 . 1 1 54 54 ASP HB3 H 1 2.807 . . 2 . . . . 54 D HB2 . 16824 1 616 . 1 1 54 54 ASP C C 13 178.273 . . 1 . . . . 54 D C . 16824 1 617 . 1 1 54 54 ASP CA C 13 57.150 . . 1 . . . . 54 D CA . 16824 1 618 . 1 1 54 54 ASP CB C 13 39.560 . . 1 . . . . 54 D CB . 16824 1 619 . 1 1 54 54 ASP N N 15 119.080 . . 1 . . . . 54 D N . 16824 1 620 . 1 1 55 55 PHE H H 1 7.540 . . 1 . . . . 55 F HN . 16824 1 621 . 1 1 55 55 PHE HA H 1 3.943 . . 1 . . . . 55 F HA . 16824 1 622 . 1 1 55 55 PHE HB2 H 1 2.497 . . 2 . . . . 55 F HB1 . 16824 1 623 . 1 1 55 55 PHE HB3 H 1 3.315 . . 2 . . . . 55 F HB2 . 16824 1 624 . 1 1 55 55 PHE HD1 H 1 6.711 . . 3 . . . . 55 F HD1 . 16824 1 625 . 1 1 55 55 PHE HD2 H 1 6.711 . . 3 . . . . 55 F HD2 . 16824 1 626 . 1 1 55 55 PHE HE1 H 1 6.975 . . 3 . . . . 55 F HE1 . 16824 1 627 . 1 1 55 55 PHE HE2 H 1 6.975 . . 3 . . . . 55 F HE2 . 16824 1 628 . 1 1 55 55 PHE HZ H 1 7.137 . . 1 . . . . 55 F HZ . 16824 1 629 . 1 1 55 55 PHE C C 13 177.174 . . 1 . . . . 55 F C . 16824 1 630 . 1 1 55 55 PHE CA C 13 61.460 . . 1 . . . . 55 F CA . 16824 1 631 . 1 1 55 55 PHE CB C 13 38.310 . . 1 . . . . 55 F CB . 16824 1 632 . 1 1 55 55 PHE CD1 C 13 132.171 . . 3 . . . . 55 F CD1 . 16824 1 633 . 1 1 55 55 PHE CD2 C 13 132.171 . . 3 . . . . 55 F CD2 . 16824 1 634 . 1 1 55 55 PHE CE1 C 13 130.525 . . 3 . . . . 55 F CE1 . 16824 1 635 . 1 1 55 55 PHE CE2 C 13 130.525 . . 3 . . . . 55 F CE2 . 16824 1 636 . 1 1 55 55 PHE CZ C 13 129.398 . . 1 . . . . 55 F CZ . 16824 1 637 . 1 1 55 55 PHE N N 15 120.100 . . 1 . . . . 55 F N . 16824 1 638 . 1 1 56 56 ILE H H 1 8.120 . . 1 . . . . 56 I HN . 16824 1 639 . 1 1 56 56 ILE HA H 1 3.152 . . 1 . . . . 56 I HA . 16824 1 640 . 1 1 56 56 ILE HB H 1 2.134 . . 1 . . . . 56 I HB . 16824 1 641 . 1 1 56 56 ILE HD11 H 1 1.041 . . 1 . . . . 56 I HD11 . 16824 1 642 . 1 1 56 56 ILE HD12 H 1 1.041 . . 1 . . . . 56 I HD11 . 16824 1 643 . 1 1 56 56 ILE HD13 H 1 1.041 . . 1 . . . . 56 I HD11 . 16824 1 644 . 1 1 56 56 ILE HG12 H 1 1.190 . . 1 . . . . 56 I HG11 . 16824 1 645 . 1 1 56 56 ILE HG13 H 1 2.082 . . 1 . . . . 56 I HG12 . 16824 1 646 . 1 1 56 56 ILE HG21 H 1 0.731 . . 2 . . . . 56 I HG21 . 16824 1 647 . 1 1 56 56 ILE HG22 H 1 0.731 . . 2 . . . . 56 I HG21 . 16824 1 648 . 1 1 56 56 ILE HG23 H 1 0.731 . . 2 . . . . 56 I HG21 . 16824 1 649 . 1 1 56 56 ILE C C 13 178.735 . . 1 . . . . 56 I C . 16824 1 650 . 1 1 56 56 ILE CA C 13 65.210 . . 1 . . . . 56 I CA . 16824 1 651 . 1 1 56 56 ILE CB C 13 36.890 . . 1 . . . . 56 I CB . 16824 1 652 . 1 1 56 56 ILE CD1 C 13 13.765 . . 1 . . . . 56 I CD1 . 16824 1 653 . 1 1 56 56 ILE CG1 C 13 28.834 . . 2 . . . . 56 I CG1 . 16824 1 654 . 1 1 56 56 ILE CG2 C 13 16.333 . . 2 . . . . 56 I CG2 . 16824 1 655 . 1 1 56 56 ILE N N 15 119.970 . . 1 . . . . 56 I N . 16824 1 656 . 1 1 57 57 GLU H H 1 7.990 . . 1 . . . . 57 E HN . 16824 1 657 . 1 1 57 57 GLU HA H 1 3.795 . . 1 . . . . 57 E HA . 16824 1 658 . 1 1 57 57 GLU HB2 H 1 1.849 . . 2 . . . . 57 E HB1 . 16824 1 659 . 1 1 57 57 GLU HB3 H 1 1.942 . . 2 . . . . 57 E HB2 . 16824 1 660 . 1 1 57 57 GLU HG2 H 1 1.845 . . 2 . . . . 57 E HG1 . 16824 1 661 . 1 1 57 57 GLU HG3 H 1 2.000 . . 2 . . . . 57 E HG2 . 16824 1 662 . 1 1 57 57 GLU C C 13 180.423 . . 1 . . . . 57 E C . 16824 1 663 . 1 1 57 57 GLU CA C 13 59.480 . . 1 . . . . 57 E CA . 16824 1 664 . 1 1 57 57 GLU CB C 13 29.200 . . 1 . . . . 57 E CB . 16824 1 665 . 1 1 57 57 GLU CG C 13 36.052 . . 1 . . . . 57 E CG . 16824 1 666 . 1 1 57 57 GLU N N 15 119.870 . . 1 . . . . 57 E N . 16824 1 667 . 1 1 58 58 ASP H H 1 8.470 . . 1 . . . . 58 D HN . 16824 1 668 . 1 1 58 58 ASP HA H 1 4.331 . . 1 . . . . 58 D HA . 16824 1 669 . 1 1 58 58 ASP HB2 H 1 2.630 . . 2 . . . . 58 D HB1 . 16824 1 670 . 1 1 58 58 ASP HB3 H 1 2.441 . . 2 . . . . 58 D HB2 . 16824 1 671 . 1 1 58 58 ASP C C 13 177.653 . . 1 . . . . 58 D C . 16824 1 672 . 1 1 58 58 ASP CA C 13 56.790 . . 1 . . . . 58 D CA . 16824 1 673 . 1 1 58 58 ASP CB C 13 40.480 . . 1 . . . . 58 D CB . 16824 1 674 . 1 1 58 58 ASP N N 15 122.050 . . 1 . . . . 58 D N . 16824 1 675 . 1 1 59 59 GLN H H 1 7.390 . . 1 . . . . 59 Q HN . 16824 1 676 . 1 1 59 59 GLN HA H 1 3.967 . . 1 . . . . 59 Q HA . 16824 1 677 . 1 1 59 59 GLN HB2 H 1 1.602 . . 2 . . . . 59 Q HB1 . 16824 1 678 . 1 1 59 59 GLN HB3 H 1 2.139 . . 2 . . . . 59 Q HB2 . 16824 1 679 . 1 1 59 59 GLN HE21 H 1 6.340 . . 2 . . . . 59 Q HE21 . 16824 1 680 . 1 1 59 59 GLN HE22 H 1 6.750 . . 2 . . . . 59 Q HE22 . 16824 1 681 . 1 1 59 59 GLN HG2 H 1 1.264 . . 2 . . . . 59 Q HG1 . 16824 1 682 . 1 1 59 59 GLN HG3 H 1 1.894 . . 2 . . . . 59 Q HG2 . 16824 1 683 . 1 1 59 59 GLN C C 13 175.240 . . 1 . . . . 59 Q C . 16824 1 684 . 1 1 59 59 GLN CA C 13 54.480 . . 1 . . . . 59 Q CA . 16824 1 685 . 1 1 59 59 GLN CB C 13 27.870 . . 1 . . . . 59 Q CB . 16824 1 686 . 1 1 59 59 GLN CG C 13 33.061 . . 1 . . . . 59 Q CG . 16824 1 687 . 1 1 59 59 GLN N N 15 114.880 . . 1 . . . . 59 Q N . 16824 1 688 . 1 1 59 59 GLN NE2 N 15 117.100 . . 1 . . . . 59 Q NE2 . 16824 1 689 . 1 1 60 60 GLY H H 1 7.580 . . 1 . . . . 60 G HN . 16824 1 690 . 1 1 60 60 GLY HA2 H 1 4.385 . . 2 . . . . 60 G HA1 . 16824 1 691 . 1 1 60 60 GLY HA3 H 1 3.639 . . 2 . . . . 60 G HA2 . 16824 1 692 . 1 1 60 60 GLY C C 13 174.948 . . 1 . . . . 60 G C . 16824 1 693 . 1 1 60 60 GLY CA C 13 44.360 . . 1 . . . . 60 G CA . 16824 1 694 . 1 1 60 60 GLY N N 15 103.530 . . 1 . . . . 60 G N . 16824 1 695 . 1 1 61 61 GLY H H 1 8.200 . . 1 . . . . 61 G HN . 16824 1 696 . 1 1 61 61 GLY HA2 H 1 3.550 . . 2 . . . . 61 G HA1 . 16824 1 697 . 1 1 61 61 GLY HA3 H 1 4.564 . . 2 . . . . 61 G HA2 . 16824 1 698 . 1 1 61 61 GLY C C 13 173.250 . . 1 . . . . 61 G C . 16824 1 699 . 1 1 61 61 GLY CA C 13 43.790 . . 1 . . . . 61 G CA . 16824 1 700 . 1 1 61 61 GLY N N 15 110.060 . . 1 . . . . 61 G N . 16824 1 701 . 1 1 62 62 LEU H H 1 8.760 . . 1 . . . . 62 L HN . 16824 1 702 . 1 1 62 62 LEU HA H 1 3.735 . . 1 . . . . 62 L HA . 16824 1 703 . 1 1 62 62 LEU HB2 H 1 1.793 . . 2 . . . . 62 L HB1 . 16824 1 704 . 1 1 62 62 LEU HB3 H 1 1.495 . . 2 . . . . 62 L HB2 . 16824 1 705 . 1 1 62 62 LEU HD11 H 1 0.939 . . 2 . . . . 62 L HD11 . 16824 1 706 . 1 1 62 62 LEU HD12 H 1 0.939 . . 2 . . . . 62 L HD11 . 16824 1 707 . 1 1 62 62 LEU HD13 H 1 0.939 . . 2 . . . . 62 L HD11 . 16824 1 708 . 1 1 62 62 LEU HD21 H 1 0.910 . . 2 . . . . 62 L HD21 . 16824 1 709 . 1 1 62 62 LEU HD22 H 1 0.910 . . 2 . . . . 62 L HD21 . 16824 1 710 . 1 1 62 62 LEU HD23 H 1 0.910 . . 2 . . . . 62 L HD21 . 16824 1 711 . 1 1 62 62 LEU HG H 1 1.507 . . 1 . . . . 62 L HG . 16824 1 712 . 1 1 62 62 LEU C C 13 177.907 . . 1 . . . . 62 L C . 16824 1 713 . 1 1 62 62 LEU CA C 13 58.520 . . 1 . . . . 62 L CA . 16824 1 714 . 1 1 62 62 LEU CB C 13 42.170 . . 1 . . . . 62 L CB . 16824 1 715 . 1 1 62 62 LEU CD1 C 13 25.797 . . 2 . . . . 62 L CD1 . 16824 1 716 . 1 1 62 62 LEU CD2 C 13 23.303 . . 2 . . . . 62 L CD2 . 16824 1 717 . 1 1 62 62 LEU CG C 13 27.124 . . 1 . . . . 62 L CG . 16824 1 718 . 1 1 62 62 LEU N N 15 119.580 . . 1 . . . . 62 L N . 16824 1 719 . 1 1 63 63 GLU H H 1 8.630 . . 1 . . . . 63 E HN . 16824 1 720 . 1 1 63 63 GLU HA H 1 4.087 . . 1 . . . . 63 E HA . 16824 1 721 . 1 1 63 63 GLU HB2 H 1 2.025 . . 2 . . . . 63 E HB1 . 16824 1 722 . 1 1 63 63 GLU HB3 H 1 1.989 . . 2 . . . . 63 E HB2 . 16824 1 723 . 1 1 63 63 GLU HG2 H 1 2.408 . . 2 . . . . 63 E HG1 . 16824 1 724 . 1 1 63 63 GLU HG3 H 1 2.360 . . 2 . . . . 63 E HG2 . 16824 1 725 . 1 1 63 63 GLU C C 13 178.592 . . 1 . . . . 63 E C . 16824 1 726 . 1 1 63 63 GLU CA C 13 59.010 . . 1 . . . . 63 E CA . 16824 1 727 . 1 1 63 63 GLU CB C 13 28.250 . . 1 . . . . 63 E CB . 16824 1 728 . 1 1 63 63 GLU CG C 13 35.912 . . 1 . . . . 63 E CG . 16824 1 729 . 1 1 63 63 GLU N N 15 116.020 . . 1 . . . . 63 E N . 16824 1 730 . 1 1 64 64 ALA H H 1 7.330 . . 1 . . . . 64 A HN . 16824 1 731 . 1 1 64 64 ALA HA H 1 4.141 . . 1 . . . . 64 A HA . 16824 1 732 . 1 1 64 64 ALA HB1 H 1 1.374 . . 1 . . . . 64 A HB1 . 16824 1 733 . 1 1 64 64 ALA HB2 H 1 1.374 . . 1 . . . . 64 A HB1 . 16824 1 734 . 1 1 64 64 ALA HB3 H 1 1.374 . . 1 . . . . 64 A HB1 . 16824 1 735 . 1 1 64 64 ALA C C 13 180.857 . . 1 . . . . 64 A C . 16824 1 736 . 1 1 64 64 ALA CA C 13 54.810 . . 1 . . . . 64 A CA . 16824 1 737 . 1 1 64 64 ALA CB C 13 18.320 . . 1 . . . . 64 A CB . 16824 1 738 . 1 1 64 64 ALA N N 15 122.050 . . 1 . . . . 64 A N . 16824 1 739 . 1 1 65 65 VAL H H 1 7.800 . . 1 . . . . 65 V HN . 16824 1 740 . 1 1 65 65 VAL HA H 1 3.639 . . 1 . . . . 65 V HA . 16824 1 741 . 1 1 65 65 VAL HB H 1 2.133 . . 1 . . . . 65 V HB . 16824 1 742 . 1 1 65 65 VAL HG11 H 1 0.802 . . 2 . . . . 65 V HG11 . 16824 1 743 . 1 1 65 65 VAL HG12 H 1 0.802 . . 2 . . . . 65 V HG11 . 16824 1 744 . 1 1 65 65 VAL HG13 H 1 0.802 . . 2 . . . . 65 V HG11 . 16824 1 745 . 1 1 65 65 VAL HG21 H 1 0.910 . . 2 . . . . 65 V HG21 . 16824 1 746 . 1 1 65 65 VAL HG22 H 1 0.910 . . 2 . . . . 65 V HG21 . 16824 1 747 . 1 1 65 65 VAL HG23 H 1 0.910 . . 2 . . . . 65 V HG21 . 16824 1 748 . 1 1 65 65 VAL C C 13 177.484 . . 1 . . . . 65 V C . 16824 1 749 . 1 1 65 65 VAL CA C 13 66.330 . . 1 . . . . 65 V CA . 16824 1 750 . 1 1 65 65 VAL CB C 13 31.560 . . 1 . . . . 65 V CB . 16824 1 751 . 1 1 65 65 VAL CG1 C 13 21.750 . . 2 . . . . 65 V CG1 . 16824 1 752 . 1 1 65 65 VAL CG2 C 13 23.425 . . 2 . . . . 65 V CG2 . 16824 1 753 . 1 1 65 65 VAL N N 15 118.790 . . 1 . . . . 65 V N . 16824 1 754 . 1 1 66 66 ARG H H 1 8.640 . . 1 . . . . 66 R HN . 16824 1 755 . 1 1 66 66 ARG HA H 1 3.721 . . 1 . . . . 66 R HA . 16824 1 756 . 1 1 66 66 ARG HB2 H 1 1.884 . . 2 . . . . 66 R HB1 . 16824 1 757 . 1 1 66 66 ARG HB3 H 1 1.808 . . 2 . . . . 66 R HB2 . 16824 1 758 . 1 1 66 66 ARG HD2 H 1 3.298 . . 2 . . . . 66 R HD1 . 16824 1 759 . 1 1 66 66 ARG HD3 H 1 3.182 . . 2 . . . . 66 R HD2 . 16824 1 760 . 1 1 66 66 ARG HG2 H 1 1.500 . . 2 . . . . 66 R HG1 . 16824 1 761 . 1 1 66 66 ARG HG3 H 1 1.858 . . 2 . . . . 66 R HG2 . 16824 1 762 . 1 1 66 66 ARG C C 13 178.566 . . 1 . . . . 66 R C . 16824 1 763 . 1 1 66 66 ARG CA C 13 60.240 . . 1 . . . . 66 R CA . 16824 1 764 . 1 1 66 66 ARG CB C 13 30.200 . . 1 . . . . 66 R CB . 16824 1 765 . 1 1 66 66 ARG CD C 13 43.285 . . 1 . . . . 66 R CD . 16824 1 766 . 1 1 66 66 ARG CG C 13 27.143 . . 1 . . . . 66 R CG . 16824 1 767 . 1 1 66 66 ARG N N 15 120.170 . . 1 . . . . 66 R N . 16824 1 768 . 1 1 67 67 GLN H H 1 7.870 . . 1 . . . . 67 Q HN . 16824 1 769 . 1 1 67 67 GLN HA H 1 3.987 . . 1 . . . . 67 Q HA . 16824 1 770 . 1 1 67 67 GLN HB2 H 1 2.164 . . 2 . . . . 67 Q HB1 . 16824 1 771 . 1 1 67 67 GLN HB3 H 1 2.176 . . 2 . . . . 67 Q HB2 . 16824 1 772 . 1 1 67 67 GLN HE21 H 1 7.610 . . 2 . . . . 67 Q HE21 . 16824 1 773 . 1 1 67 67 GLN HE22 H 1 6.830 . . 2 . . . . 67 Q HE22 . 16824 1 774 . 1 1 67 67 GLN HG2 H 1 2.540 . . 2 . . . . 67 Q HG1 . 16824 1 775 . 1 1 67 67 GLN HG3 H 1 2.485 . . 2 . . . . 67 Q HG2 . 16824 1 776 . 1 1 67 67 GLN C C 13 178.756 . . 1 . . . . 67 Q C . 16824 1 777 . 1 1 67 67 GLN CA C 13 58.600 . . 1 . . . . 67 Q CA . 16824 1 778 . 1 1 67 67 GLN CB C 13 28.230 . . 1 . . . . 67 Q CB . 16824 1 779 . 1 1 67 67 GLN CG C 13 33.909 . . 1 . . . . 67 Q CG . 16824 1 780 . 1 1 67 67 GLN N N 15 115.990 . . 1 . . . . 67 Q N . 16824 1 781 . 1 1 67 67 GLN NE2 N 15 112.050 . . 1 . . . . 67 Q NE2 . 16824 1 782 . 1 1 68 68 GLU H H 1 7.770 . . 1 . . . . 68 E HN . 16824 1 783 . 1 1 68 68 GLU HA H 1 4.122 . . 1 . . . . 68 E HA . 16824 1 784 . 1 1 68 68 GLU HB2 H 1 2.140 . . 2 . . . . 68 E HB1 . 16824 1 785 . 1 1 68 68 GLU HB3 H 1 2.152 . . 2 . . . . 68 E HB2 . 16824 1 786 . 1 1 68 68 GLU HG2 H 1 2.337 . . 2 . . . . 68 E HG1 . 16824 1 787 . 1 1 68 68 GLU HG3 H 1 2.375 . . 2 . . . . 68 E HG2 . 16824 1 788 . 1 1 68 68 GLU C C 13 178.991 . . 1 . . . . 68 E C . 16824 1 789 . 1 1 68 68 GLU CA C 13 59.040 . . 1 . . . . 68 E CA . 16824 1 790 . 1 1 68 68 GLU CB C 13 29.600 . . 1 . . . . 68 E CB . 16824 1 791 . 1 1 68 68 GLU CG C 13 36.460 . . 1 . . . . 68 E CG . 16824 1 792 . 1 1 68 68 GLU N N 15 119.080 . . 1 . . . . 68 E N . 16824 1 793 . 1 1 69 69 MET H H 1 8.150 . . 1 . . . . 69 M HN . 16824 1 794 . 1 1 69 69 MET HA H 1 4.331 . . 1 . . . . 69 M HA . 16824 1 795 . 1 1 69 69 MET HB2 H 1 2.157 . . 2 . . . . 69 M HB1 . 16824 1 796 . 1 1 69 69 MET HB3 H 1 2.159 . . 2 . . . . 69 M HB2 . 16824 1 797 . 1 1 69 69 MET HE1 H 1 1.990 . . 1 . . . . 69 M HE1 . 16824 1 798 . 1 1 69 69 MET HE2 H 1 1.990 . . 1 . . . . 69 M HE1 . 16824 1 799 . 1 1 69 69 MET HE3 H 1 1.990 . . 1 . . . . 69 M HE1 . 16824 1 800 . 1 1 69 69 MET HG2 H 1 2.520 . . 2 . . . . 69 M HG1 . 16824 1 801 . 1 1 69 69 MET HG3 H 1 2.714 . . 2 . . . . 69 M HG2 . 16824 1 802 . 1 1 69 69 MET C C 13 177.589 . . 1 . . . . 69 M C . 16824 1 803 . 1 1 69 69 MET CA C 13 57.250 . . 1 . . . . 69 M CA . 16824 1 804 . 1 1 69 69 MET CB C 13 32.460 . . 1 . . . . 69 M CB . 16824 1 805 . 1 1 69 69 MET CE C 13 16.300 . . 1 . . . . 69 M CE . 16824 1 806 . 1 1 69 69 MET CG C 13 32.460 . . 1 . . . . 69 M CG . 16824 1 807 . 1 1 69 69 MET N N 15 117.150 . . 1 . . . . 69 M N . 16824 1 808 . 1 1 70 70 ARG H H 1 7.650 . . 1 . . . . 70 R HN . 16824 1 809 . 1 1 70 70 ARG HA H 1 4.336 . . 1 . . . . 70 R HA . 16824 1 810 . 1 1 70 70 ARG HB2 H 1 1.999 . . 2 . . . . 70 R HB1 . 16824 1 811 . 1 1 70 70 ARG HB3 H 1 1.814 . . 2 . . . . 70 R HB2 . 16824 1 812 . 1 1 70 70 ARG HD2 H 1 3.186 . . 2 . . . . 70 R HD1 . 16824 1 813 . 1 1 70 70 ARG HD3 H 1 3.129 . . 2 . . . . 70 R HD2 . 16824 1 814 . 1 1 70 70 ARG HG2 H 1 1.705 . . 2 . . . . 70 R HG2 . 16824 1 815 . 1 1 70 70 ARG C C 13 176.373 . . 1 . . . . 70 R C . 16824 1 816 . 1 1 70 70 ARG CA C 13 56.670 . . 1 . . . . 70 R CA . 16824 1 817 . 1 1 70 70 ARG CB C 13 30.680 . . 1 . . . . 70 R CB . 16824 1 818 . 1 1 70 70 ARG CD C 13 43.572 . . 1 . . . . 70 R CD . 16824 1 819 . 1 1 70 70 ARG CG C 13 27.523 . . 1 . . . . 70 R CG . 16824 1 820 . 1 1 70 70 ARG N N 15 117.730 . . 1 . . . . 70 R N . 16824 1 821 . 1 1 71 71 ARG H H 1 7.640 . . 1 . . . . 71 R HN . 16824 1 822 . 1 1 71 71 ARG HA H 1 4.332 . . 1 . . . . 71 R HA . 16824 1 823 . 1 1 71 71 ARG HB2 H 1 1.966 . . 2 . . . . 71 R HB1 . 16824 1 824 . 1 1 71 71 ARG HB3 H 1 1.909 . . 2 . . . . 71 R HB2 . 16824 1 825 . 1 1 71 71 ARG HD2 H 1 3.285 . . 2 . . . . 71 R HD1 . 16824 1 826 . 1 1 71 71 ARG HD3 H 1 3.212 . . 2 . . . . 71 R HD2 . 16824 1 827 . 1 1 71 71 ARG HG2 H 1 1.771 . . 2 . . . . 71 R HG1 . 16824 1 828 . 1 1 71 71 ARG HG3 H 1 1.816 . . 2 . . . . 71 R HG2 . 16824 1 829 . 1 1 71 71 ARG C C 13 175.481 . . 1 . . . . 71 R C . 16824 1 830 . 1 1 71 71 ARG CA C 13 56.800 . . 1 . . . . 71 R CA . 16824 1 831 . 1 1 71 71 ARG CB C 13 30.630 . . 1 . . . . 71 R CB . 16824 1 832 . 1 1 71 71 ARG CD C 13 43.643 . . 1 . . . . 71 R CD . 16824 1 833 . 1 1 71 71 ARG CG C 13 27.166 . . 1 . . . . 71 R CG . 16824 1 834 . 1 1 71 71 ARG N N 15 120.660 . . 1 . . . . 71 R N . 16824 1 835 . 1 1 72 72 GLN H H 1 7.880 . . 1 . . . . 72 Q HN . 16824 1 836 . 1 1 72 72 GLN HE21 H 1 7.530 . . 2 . . . . 72 Q HE21 . 16824 1 837 . 1 1 72 72 GLN HE22 H 1 6.920 . . 2 . . . . 72 Q HE22 . 16824 1 838 . 1 1 72 72 GLN HG2 H 1 2.890 . . 2 . . . . 72 Q HG1 . 16824 1 839 . 1 1 72 72 GLN HG3 H 1 2.800 . . 2 . . . . 72 Q HG2 . 16824 1 840 . 1 1 72 72 GLN CA C 13 57.190 . . 1 . . . . 72 Q CA . 16824 1 841 . 1 1 72 72 GLN CB C 13 30.580 . . 1 . . . . 72 Q CB . 16824 1 842 . 1 1 72 72 GLN CG C 13 34.400 . . 1 . . . . 72 Q CG . 16824 1 843 . 1 1 72 72 GLN N N 15 126.310 . . 1 . . . . 72 Q N . 16824 1 844 . 1 1 72 72 GLN NE2 N 15 112.400 . . 1 . . . . 72 Q NE2 . 16824 1 845 . 2 2 2 2 HIS HA H 1 4.701 . . 1 . . . . 74 H HA . 16824 1 846 . 2 2 2 2 HIS HB2 H 1 3.145 . . 2 . . . . 74 H HB1 . 16824 1 847 . 2 2 2 2 HIS HB3 H 1 3.093 . . 2 . . . . 74 H HB2 . 16824 1 848 . 2 2 2 2 HIS HD2 H 1 7.049 . . 3 . . . . 74 H HD2 . 16824 1 849 . 2 2 2 2 HIS HE1 H 1 7.918 . . 3 . . . . 74 H HE1 . 16824 1 850 . 2 2 2 2 HIS C C 13 175.119 . . 1 . . . . 74 H C . 16824 1 851 . 2 2 2 2 HIS CA C 13 56.187 . . 1 . . . . 74 H CA . 16824 1 852 . 2 2 2 2 HIS CB C 13 31.114 . . 1 . . . . 74 H CB . 16824 1 853 . 2 2 2 2 HIS CD2 C 13 119.515 . . 1 . . . . 74 H CD2 . 16824 1 854 . 2 2 2 2 HIS CE1 C 13 138.104 . . 1 . . . . 74 H CE1 . 16824 1 855 . 2 2 3 3 MET H H 1 8.482 . . 1 . . . . 75 M HN . 16824 1 856 . 2 2 3 3 MET HA H 1 4.475 . . 1 . . . . 75 M HA . 16824 1 857 . 2 2 3 3 MET HB2 H 1 1.975 . . 2 . . . . 75 M HB1 . 16824 1 858 . 2 2 3 3 MET HB3 H 1 2.056 . . 2 . . . . 75 M HB2 . 16824 1 859 . 2 2 3 3 MET HE1 H 1 1.990 . . 1 . . . . 75 M HE1 . 16824 1 860 . 2 2 3 3 MET HE2 H 1 1.990 . . 1 . . . . 75 M HE1 . 16824 1 861 . 2 2 3 3 MET HE3 H 1 1.990 . . 1 . . . . 75 M HE1 . 16824 1 862 . 2 2 3 3 MET HG2 H 1 2.507 . . 2 . . . . 75 M HG1 . 16824 1 863 . 2 2 3 3 MET HG3 H 1 2.547 . . 2 . . . . 75 M HG2 . 16824 1 864 . 2 2 3 3 MET C C 13 175.713 . . 1 . . . . 75 M C . 16824 1 865 . 2 2 3 3 MET CA C 13 55.547 . . 1 . . . . 75 M CA . 16824 1 866 . 2 2 3 3 MET CB C 13 32.869 . . 1 . . . . 75 M CB . 16824 1 867 . 2 2 3 3 MET CE C 13 16.150 . . 1 . . . . 75 M CE . 16824 1 868 . 2 2 3 3 MET CG C 13 32.042 . . 1 . . . . 75 M CG . 16824 1 869 . 2 2 3 3 MET N N 15 122.077 . . 1 . . . . 75 M N . 16824 1 870 . 2 2 4 4 LEU H H 1 8.453 . . 1 . . . . 76 L HN . 16824 1 871 . 2 2 4 4 LEU HA H 1 4.639 . . 1 . . . . 76 L HA . 16824 1 872 . 2 2 4 4 LEU HB2 H 1 1.584 . . 2 . . . . 76 L HB1 . 16824 1 873 . 2 2 4 4 LEU HB3 H 1 1.616 . . 2 . . . . 76 L HB2 . 16824 1 874 . 2 2 4 4 LEU HD11 H 1 0.929 . . 2 . . . . 76 L HD11 . 16824 1 875 . 2 2 4 4 LEU HD12 H 1 0.929 . . 2 . . . . 76 L HD11 . 16824 1 876 . 2 2 4 4 LEU HD13 H 1 0.929 . . 2 . . . . 76 L HD11 . 16824 1 877 . 2 2 4 4 LEU HD21 H 1 0.936 . . 2 . . . . 76 L HD21 . 16824 1 878 . 2 2 4 4 LEU HD22 H 1 0.936 . . 2 . . . . 76 L HD21 . 16824 1 879 . 2 2 4 4 LEU HD23 H 1 0.936 . . 2 . . . . 76 L HD21 . 16824 1 880 . 2 2 4 4 LEU HG H 1 1.686 . . 1 . . . . 76 L HG . 16824 1 881 . 2 2 4 4 LEU CA C 13 53.063 . . 1 . . . . 76 L CA . 16824 1 882 . 2 2 4 4 LEU CB C 13 42.061 . . 1 . . . . 76 L CB . 16824 1 883 . 2 2 4 4 LEU CD1 C 13 23.610 . . 1 . . . . 76 L CD1 . 16824 1 884 . 2 2 4 4 LEU CD2 C 13 25.310 . . 1 . . . . 76 L CD2 . 16824 1 885 . 2 2 4 4 LEU CG C 13 27.070 . . 1 . . . . 76 L CG . 16824 1 886 . 2 2 4 4 LEU N N 15 124.910 . . 1 . . . . 76 L N . 16824 1 887 . 2 2 5 5 PRO HA H 1 4.501 . . 1 . . . . 77 P HA . 16824 1 888 . 2 2 5 5 PRO HB2 H 1 2.355 . . 2 . . . . 77 P HB1 . 16824 1 889 . 2 2 5 5 PRO HB3 H 1 1.908 . . 2 . . . . 77 P HB2 . 16824 1 890 . 2 2 5 5 PRO HD2 H 1 3.916 . . 2 . . . . 77 P HD1 . 16824 1 891 . 2 2 5 5 PRO HD3 H 1 3.615 . . 2 . . . . 77 P HD2 . 16824 1 892 . 2 2 5 5 PRO HG2 H 1 2.080 . . 2 . . . . 77 P HG1 . 16824 1 893 . 2 2 5 5 PRO HG3 H 1 2.044 . . 2 . . . . 77 P HG2 . 16824 1 894 . 2 2 5 5 PRO C C 13 176.415 . . 1 . . . . 77 P C . 16824 1 895 . 2 2 5 5 PRO CA C 13 62.980 . . 1 . . . . 77 P CA . 16824 1 896 . 2 2 5 5 PRO CB C 13 32.228 . . 1 . . . . 77 P CB . 16824 1 897 . 2 2 5 5 PRO CD C 13 50.674 . . 1 . . . . 77 P CD . 16824 1 898 . 2 2 5 5 PRO CG C 13 27.622 . . 1 . . . . 77 P CG . 16824 1 899 . 2 2 6 6 ASP H H 1 8.420 . . 1 . . . . 78 D HN . 16824 1 900 . 2 2 6 6 ASP HA H 1 4.604 . . 1 . . . . 78 D HA . 16824 1 901 . 2 2 6 6 ASP HB2 H 1 3.000 . . 2 . . . . 78 D HB1 . 16824 1 902 . 2 2 6 6 ASP HB3 H 1 2.783 . . 2 . . . . 78 D HB2 . 16824 1 903 . 2 2 6 6 ASP C C 13 177.149 . . 1 . . . . 78 D C . 16824 1 904 . 2 2 6 6 ASP CA C 13 54.570 . . 1 . . . . 78 D CA . 16824 1 905 . 2 2 6 6 ASP CB C 13 41.710 . . 1 . . . . 78 D CB . 16824 1 906 . 2 2 6 6 ASP N N 15 122.310 . . 1 . . . . 78 D N . 16824 1 907 . 2 2 7 7 VAL H H 1 8.640 . . 1 . . . . 79 V HN . 16824 1 908 . 2 2 7 7 VAL HA H 1 3.782 . . 1 . . . . 79 V HA . 16824 1 909 . 2 2 7 7 VAL HB H 1 2.228 . . 1 . . . . 79 V HB . 16824 1 910 . 2 2 7 7 VAL HG11 H 1 1.014 . . 4 . . . . 79 V HG11 . 16824 1 911 . 2 2 7 7 VAL HG12 H 1 1.014 . . 4 . . . . 79 V HG11 . 16824 1 912 . 2 2 7 7 VAL HG13 H 1 1.014 . . 4 . . . . 79 V HG11 . 16824 1 913 . 2 2 7 7 VAL HG21 H 1 1.125 . . 4 . . . . 79 V HG21 . 16824 1 914 . 2 2 7 7 VAL HG22 H 1 1.125 . . 4 . . . . 79 V HG21 . 16824 1 915 . 2 2 7 7 VAL HG23 H 1 1.125 . . 4 . . . . 79 V HG21 . 16824 1 916 . 2 2 7 7 VAL C C 13 176.120 . . 1 . . . . 79 V C . 16824 1 917 . 2 2 7 7 VAL CA C 13 66.080 . . 1 . . . . 79 V CA . 16824 1 918 . 2 2 7 7 VAL CB C 13 31.220 . . 1 . . . . 79 V CB . 16824 1 919 . 2 2 7 7 VAL CG1 C 13 20.522 . . 2 . . . . 79 V CG1 . 16824 1 920 . 2 2 7 7 VAL CG2 C 13 22.410 . . 2 . . . . 79 V CG2 . 16824 1 921 . 2 2 7 7 VAL N N 15 120.360 . . 1 . . . . 79 V N . 16824 1 922 . 2 2 8 8 ALA H H 1 7.930 . . 1 . . . . 80 A HN . 16824 1 923 . 2 2 8 8 ALA HA H 1 3.990 . . 1 . . . . 80 A HA . 16824 1 924 . 2 2 8 8 ALA HB1 H 1 1.411 . . 1 . . . . 80 A HB1 . 16824 1 925 . 2 2 8 8 ALA HB2 H 1 1.411 . . 1 . . . . 80 A HB1 . 16824 1 926 . 2 2 8 8 ALA HB3 H 1 1.411 . . 1 . . . . 80 A HB1 . 16824 1 927 . 2 2 8 8 ALA C C 13 179.096 . . 1 . . . . 80 A C . 16824 1 928 . 2 2 8 8 ALA CA C 13 55.440 . . 1 . . . . 80 A CA . 16824 1 929 . 2 2 8 8 ALA CB C 13 18.400 . . 1 . . . . 80 A CB . 16824 1 930 . 2 2 8 8 ALA N N 15 122.710 . . 1 . . . . 80 A N . 16824 1 931 . 2 2 9 9 GLN H H 1 7.970 . . 1 . . . . 81 Q HN . 16824 1 932 . 2 2 9 9 GLN HA H 1 4.089 . . 1 . . . . 81 Q HA . 16824 1 933 . 2 2 9 9 GLN HB2 H 1 2.195 . . 2 . . . . 81 Q HB1 . 16824 1 934 . 2 2 9 9 GLN HB3 H 1 2.284 . . 2 . . . . 81 Q HB2 . 16824 1 935 . 2 2 9 9 GLN HE21 H 1 7.530 . . 2 . . . . 81 Q HE21 . 16824 1 936 . 2 2 9 9 GLN HE22 H 1 6.820 . . 2 . . . . 81 Q HE22 . 16824 1 937 . 2 2 9 9 GLN HG2 H 1 2.534 . . 2 . . . . 81 Q HG1 . 16824 1 938 . 2 2 9 9 GLN HG3 H 1 2.413 . . 2 . . . . 81 Q HG2 . 16824 1 939 . 2 2 9 9 GLN C C 13 179.449 . . 1 . . . . 81 Q C . 16824 1 940 . 2 2 9 9 GLN CA C 13 59.080 . . 1 . . . . 81 Q CA . 16824 1 941 . 2 2 9 9 GLN CB C 13 28.040 . . 1 . . . . 81 Q CB . 16824 1 942 . 2 2 9 9 GLN CG C 13 34.256 . . 1 . . . . 81 Q CG . 16824 1 943 . 2 2 9 9 GLN N N 15 118.410 . . 1 . . . . 81 Q N . 16824 1 944 . 2 2 9 9 GLN NE2 N 15 111.900 . . 1 . . . . 81 Q NE2 . 16824 1 945 . 2 2 10 10 ARG H H 1 8.570 . . 1 . . . . 82 R HN . 16824 1 946 . 2 2 10 10 ARG HA H 1 4.153 . . 1 . . . . 82 R HA . 16824 1 947 . 2 2 10 10 ARG HB2 H 1 2.067 . . 2 . . . . 82 R HB1 . 16824 1 948 . 2 2 10 10 ARG HB3 H 1 2.200 . . 2 . . . . 82 R HB2 . 16824 1 949 . 2 2 10 10 ARG HD2 H 1 3.299 . . 2 . . . . 82 R HD1 . 16824 1 950 . 2 2 10 10 ARG HD3 H 1 3.425 . . 2 . . . . 82 R HD2 . 16824 1 951 . 2 2 10 10 ARG HG2 H 1 1.615 . . 2 . . . . 82 R HG1 . 16824 1 952 . 2 2 10 10 ARG HG3 H 1 2.077 . . 2 . . . . 82 R HG2 . 16824 1 953 . 2 2 10 10 ARG C C 13 179.259 . . 1 . . . . 82 R C . 16824 1 954 . 2 2 10 10 ARG CA C 13 60.090 . . 1 . . . . 82 R CA . 16824 1 955 . 2 2 10 10 ARG CB C 13 29.730 . . 1 . . . . 82 R CB . 16824 1 956 . 2 2 10 10 ARG CD C 13 43.786 . . 1 . . . . 82 R CD . 16824 1 957 . 2 2 10 10 ARG CG C 13 28.355 . . 1 . . . . 82 R CG . 16824 1 958 . 2 2 10 10 ARG N N 15 119.100 . . 1 . . . . 82 R N . 16824 1 959 . 2 2 11 11 LEU H H 1 8.270 . . 1 . . . . 83 L HN . 16824 1 960 . 2 2 11 11 LEU HA H 1 3.022 . . 1 . . . . 83 L HA . 16824 1 961 . 2 2 11 11 LEU HB2 H 1 0.948 . . 2 . . . . 83 L HB1 . 16824 1 962 . 2 2 11 11 LEU HB3 H 1 1.900 . . 2 . . . . 83 L HB2 . 16824 1 963 . 2 2 11 11 LEU HD11 H 1 0.463 . . 4 . . . . 83 L HD11 . 16824 1 964 . 2 2 11 11 LEU HD12 H 1 0.463 . . 4 . . . . 83 L HD11 . 16824 1 965 . 2 2 11 11 LEU HD13 H 1 0.463 . . 4 . . . . 83 L HD11 . 16824 1 966 . 2 2 11 11 LEU HD21 H 1 0.774 . . 4 . . . . 83 L HD21 . 16824 1 967 . 2 2 11 11 LEU HD22 H 1 0.774 . . 4 . . . . 83 L HD21 . 16824 1 968 . 2 2 11 11 LEU HD23 H 1 0.774 . . 4 . . . . 83 L HD21 . 16824 1 969 . 2 2 11 11 LEU HG H 1 1.262 . . 1 . . . . 83 L HG . 16824 1 970 . 2 2 11 11 LEU C C 13 177.566 . . 1 . . . . 83 L C . 16824 1 971 . 2 2 11 11 LEU CA C 13 57.700 . . 1 . . . . 83 L CA . 16824 1 972 . 2 2 11 11 LEU CB C 13 40.080 . . 1 . . . . 83 L CB . 16824 1 973 . 2 2 11 11 LEU CD1 C 13 22.041 . . 2 . . . . 83 L CD1 . 16824 1 974 . 2 2 11 11 LEU CD2 C 13 26.206 . . 2 . . . . 83 L CD2 . 16824 1 975 . 2 2 11 11 LEU CG C 13 26.830 . . 1 . . . . 83 L CG . 16824 1 976 . 2 2 11 11 LEU N N 15 123.660 . . 1 . . . . 83 L N . 16824 1 977 . 2 2 12 12 MET H H 1 8.210 . . 1 . . . . 84 M HN . 16824 1 978 . 2 2 12 12 MET HA H 1 3.947 . . 1 . . . . 84 M HA . 16824 1 979 . 2 2 12 12 MET HB2 H 1 2.307 . . 2 . . . . 84 M HB1 . 16824 1 980 . 2 2 12 12 MET HB3 H 1 2.190 . . 2 . . . . 84 M HB2 . 16824 1 981 . 2 2 12 12 MET HE1 H 1 2.110 . . 1 . . . . 84 M HE1 . 16824 1 982 . 2 2 12 12 MET HE2 H 1 2.110 . . 1 . . . . 84 M HE1 . 16824 1 983 . 2 2 12 12 MET HE3 H 1 2.110 . . 1 . . . . 84 M HE1 . 16824 1 984 . 2 2 12 12 MET HG2 H 1 2.870 . . 2 . . . . 84 M HG1 . 16824 1 985 . 2 2 12 12 MET HG3 H 1 2.645 . . 2 . . . . 84 M HG2 . 16824 1 986 . 2 2 12 12 MET C C 13 179.192 . . 1 . . . . 84 M C . 16824 1 987 . 2 2 12 12 MET CA C 13 59.940 . . 1 . . . . 84 M CA . 16824 1 988 . 2 2 12 12 MET CB C 13 32.940 . . 1 . . . . 84 M CB . 16824 1 989 . 2 2 12 12 MET CE C 13 16.650 . . 1 . . . . 84 M CE . 16824 1 990 . 2 2 12 12 MET CG C 13 32.305 . . 1 . . . . 84 M CG . 16824 1 991 . 2 2 12 12 MET N N 15 118.580 . . 1 . . . . 84 M N . 16824 1 992 . 2 2 13 13 GLN H H 1 8.270 . . 1 . . . . 85 Q HN . 16824 1 993 . 2 2 13 13 GLN HA H 1 4.127 . . 1 . . . . 85 Q HA . 16824 1 994 . 2 2 13 13 GLN HB2 H 1 2.255 . . 2 . . . . 85 Q HB1 . 16824 1 995 . 2 2 13 13 GLN HB3 H 1 2.199 . . 2 . . . . 85 Q HB2 . 16824 1 996 . 2 2 13 13 GLN HE21 H 1 7.730 . . 2 . . . . 85 Q HE21 . 16824 1 997 . 2 2 13 13 GLN HE22 H 1 6.790 . . 2 . . . . 85 Q HE22 . 16824 1 998 . 2 2 13 13 GLN HG2 H 1 2.578 . . 2 . . . . 85 Q HG1 . 16824 1 999 . 2 2 13 13 GLN HG3 H 1 2.488 . . 2 . . . . 85 Q HG2 . 16824 1 1000 . 2 2 13 13 GLN C C 13 177.474 . . 1 . . . . 85 Q C . 16824 1 1001 . 2 2 13 13 GLN CA C 13 58.800 . . 1 . . . . 85 Q CA . 16824 1 1002 . 2 2 13 13 GLN CB C 13 28.170 . . 1 . . . . 85 Q CB . 16824 1 1003 . 2 2 13 13 GLN CG C 13 33.655 . . 1 . . . . 85 Q CG . 16824 1 1004 . 2 2 13 13 GLN N N 15 119.930 . . 1 . . . . 85 Q N . 16824 1 1005 . 2 2 13 13 GLN NE2 N 15 111.600 . . 1 . . . . 85 Q NE2 . 16824 1 1006 . 2 2 14 14 HIS H H 1 8.160 . . 1 . . . . 86 H HN . 16824 1 1007 . 2 2 14 14 HIS HA H 1 4.529 . . 1 . . . . 86 H HA . 16824 1 1008 . 2 2 14 14 HIS HB2 H 1 3.240 . . 2 . . . . 86 H HB1 . 16824 1 1009 . 2 2 14 14 HIS HB3 H 1 3.230 . . 2 . . . . 86 H HB2 . 16824 1 1010 . 2 2 14 14 HIS HD2 H 1 6.370 . . 3 . . . . 86 H HD2 . 16824 1 1011 . 2 2 14 14 HIS HE1 H 1 8.000 . . 3 . . . . 86 H HE1 . 16824 1 1012 . 2 2 14 14 HIS C C 13 178.277 . . 1 . . . . 86 H C . 16824 1 1013 . 2 2 14 14 HIS CA C 13 59.800 . . 1 . . . . 86 H CA . 16824 1 1014 . 2 2 14 14 HIS CB C 13 31.410 . . 1 . . . . 86 H CB . 16824 1 1015 . 2 2 14 14 HIS CD2 C 13 117.289 . . 1 . . . . 86 H CD2 . 16824 1 1016 . 2 2 14 14 HIS CE1 C 13 139.705 . . 1 . . . . 86 H CE1 . 16824 1 1017 . 2 2 14 14 HIS N N 15 120.900 . . 1 . . . . 86 H N . 16824 1 1018 . 2 2 15 15 LEU H H 1 8.230 . . 1 . . . . 87 L HN . 16824 1 1019 . 2 2 15 15 LEU HA H 1 3.818 . . 1 . . . . 87 L HA . 16824 1 1020 . 2 2 15 15 LEU HB2 H 1 1.850 . . 2 . . . . 87 L HB1 . 16824 1 1021 . 2 2 15 15 LEU HB3 H 1 1.513 . . 2 . . . . 87 L HB2 . 16824 1 1022 . 2 2 15 15 LEU HD11 H 1 0.695 . . 2 . . . . 87 L HD11 . 16824 1 1023 . 2 2 15 15 LEU HD12 H 1 0.695 . . 2 . . . . 87 L HD11 . 16824 1 1024 . 2 2 15 15 LEU HD13 H 1 0.695 . . 2 . . . . 87 L HD11 . 16824 1 1025 . 2 2 15 15 LEU HD21 H 1 0.699 . . 4 . . . . 87 L HD21 . 16824 1 1026 . 2 2 15 15 LEU HD22 H 1 0.699 . . 4 . . . . 87 L HD21 . 16824 1 1027 . 2 2 15 15 LEU HD23 H 1 0.699 . . 4 . . . . 87 L HD21 . 16824 1 1028 . 2 2 15 15 LEU HG H 1 1.790 . . 1 . . . . 87 L HG . 16824 1 1029 . 2 2 15 15 LEU C C 13 179.511 . . 1 . . . . 87 L C . 16824 1 1030 . 2 2 15 15 LEU CA C 13 58.550 . . 1 . . . . 87 L CA . 16824 1 1031 . 2 2 15 15 LEU CB C 13 39.940 . . 1 . . . . 87 L CB . 16824 1 1032 . 2 2 15 15 LEU CD1 C 13 22.697 . . 2 . . . . 87 L CD1 . 16824 1 1033 . 2 2 15 15 LEU CD2 C 13 25.482 . . 2 . . . . 87 L CD2 . 16824 1 1034 . 2 2 15 15 LEU CG C 13 27.192 . . 1 . . . . 87 L CG . 16824 1 1035 . 2 2 15 15 LEU N N 15 118.310 . . 1 . . . . 87 L N . 16824 1 1036 . 2 2 16 16 ALA H H 1 8.290 . . 1 . . . . 88 A HN . 16824 1 1037 . 2 2 16 16 ALA HA H 1 4.141 . . 1 . . . . 88 A HA . 16824 1 1038 . 2 2 16 16 ALA HB1 H 1 1.568 . . 1 . . . . 88 A HB1 . 16824 1 1039 . 2 2 16 16 ALA HB2 H 1 1.568 . . 1 . . . . 88 A HB1 . 16824 1 1040 . 2 2 16 16 ALA HB3 H 1 1.568 . . 1 . . . . 88 A HB1 . 16824 1 1041 . 2 2 16 16 ALA C C 13 182.407 . . 1 . . . . 88 A C . 16824 1 1042 . 2 2 16 16 ALA CA C 13 55.450 . . 1 . . . . 88 A CA . 16824 1 1043 . 2 2 16 16 ALA CB C 13 17.860 . . 1 . . . . 88 A CB . 16824 1 1044 . 2 2 16 16 ALA N N 15 123.720 . . 1 . . . . 88 A N . 16824 1 1045 . 2 2 17 17 GLU H H 1 8.340 . . 1 . . . . 89 E HN . 16824 1 1046 . 2 2 17 17 GLU HA H 1 4.052 . . 1 . . . . 89 E HA . 16824 1 1047 . 2 2 17 17 GLU HB2 H 1 1.950 . . 2 . . . . 89 E HB1 . 16824 1 1048 . 2 2 17 17 GLU HB3 H 1 2.196 . . 2 . . . . 89 E HB2 . 16824 1 1049 . 2 2 17 17 GLU HG2 H 1 2.469 . . 2 . . . . 89 E HG1 . 16824 1 1050 . 2 2 17 17 GLU HG3 H 1 2.276 . . 2 . . . . 89 E HG2 . 16824 1 1051 . 2 2 17 17 GLU C C 13 177.434 . . 1 . . . . 89 E C . 16824 1 1052 . 2 2 17 17 GLU CA C 13 58.480 . . 1 . . . . 89 E CA . 16824 1 1053 . 2 2 17 17 GLU CB C 13 29.160 . . 1 . . . . 89 E CB . 16824 1 1054 . 2 2 17 17 GLU CG C 13 36.559 . . 1 . . . . 89 E CG . 16824 1 1055 . 2 2 17 17 GLU N N 15 119.640 . . 1 . . . . 89 E N . 16824 1 1056 . 2 2 18 18 HIS H H 1 7.570 . . 1 . . . . 90 H HN . 16824 1 1057 . 2 2 18 18 HIS HA H 1 4.544 . . 1 . . . . 90 H HA . 16824 1 1058 . 2 2 18 18 HIS HB2 H 1 2.731 . . 2 . . . . 90 H HB1 . 16824 1 1059 . 2 2 18 18 HIS HB3 H 1 3.610 . . 2 . . . . 90 H HB2 . 16824 1 1060 . 2 2 18 18 HIS HD2 H 1 7.133 . . 3 . . . . 90 H HD2 . 16824 1 1061 . 2 2 18 18 HIS HE1 H 1 8.130 . . 3 . . . . 90 H HE1 . 16824 1 1062 . 2 2 18 18 HIS C C 13 174.172 . . 1 . . . . 90 H C . 16824 1 1063 . 2 2 18 18 HIS CA C 13 56.360 . . 1 . . . . 90 H CA . 16824 1 1064 . 2 2 18 18 HIS CB C 13 29.730 . . 1 . . . . 90 H CB . 16824 1 1065 . 2 2 18 18 HIS N N 15 115.660 . . 1 . . . . 90 H N . 16824 1 1066 . 2 2 18 18 HIS ND1 N 15 137.021 . . 1 . . . . 90 H ND1 . 16824 1 1067 . 2 2 19 19 GLY H H 1 7.830 . . 1 . . . . 91 G HN . 16824 1 1068 . 2 2 19 19 GLY HA2 H 1 3.792 . . 2 . . . . 91 G HA1 . 16824 1 1069 . 2 2 19 19 GLY HA3 H 1 4.114 . . 2 . . . . 91 G HA2 . 16824 1 1070 . 2 2 19 19 GLY C C 13 173.809 . . 1 . . . . 91 G C . 16824 1 1071 . 2 2 19 19 GLY CA C 13 46.000 . . 1 . . . . 91 G CA . 16824 1 1072 . 2 2 19 19 GLY N N 15 107.210 . . 1 . . . . 91 G N . 16824 1 1073 . 2 2 20 20 ILE H H 1 8.010 . . 1 . . . . 92 I HN . 16824 1 1074 . 2 2 20 20 ILE HA H 1 4.200 . . 1 . . . . 92 I HA . 16824 1 1075 . 2 2 20 20 ILE HB H 1 1.672 . . 1 . . . . 92 I HB . 16824 1 1076 . 2 2 20 20 ILE HD11 H 1 0.830 . . 1 . . . . 92 I HD11 . 16824 1 1077 . 2 2 20 20 ILE HD12 H 1 0.830 . . 1 . . . . 92 I HD11 . 16824 1 1078 . 2 2 20 20 ILE HD13 H 1 0.830 . . 1 . . . . 92 I HD11 . 16824 1 1079 . 2 2 20 20 ILE HG12 H 1 1.184 . . 1 . . . . 92 I HG11 . 16824 1 1080 . 2 2 20 20 ILE HG13 H 1 1.316 . . 1 . . . . 92 I HG12 . 16824 1 1081 . 2 2 20 20 ILE HG21 H 1 0.770 . . 2 . . . . 92 I HG21 . 16824 1 1082 . 2 2 20 20 ILE HG22 H 1 0.770 . . 2 . . . . 92 I HG21 . 16824 1 1083 . 2 2 20 20 ILE HG23 H 1 0.770 . . 2 . . . . 92 I HG21 . 16824 1 1084 . 2 2 20 20 ILE C C 13 174.571 . . 1 . . . . 92 I C . 16824 1 1085 . 2 2 20 20 ILE CA C 13 59.580 . . 1 . . . . 92 I CA . 16824 1 1086 . 2 2 20 20 ILE CB C 13 38.060 . . 1 . . . . 92 I CB . 16824 1 1087 . 2 2 20 20 ILE CD1 C 13 12.748 . . 1 . . . . 92 I CD1 . 16824 1 1088 . 2 2 20 20 ILE CG1 C 13 27.158 . . 2 . . . . 92 I CG1 . 16824 1 1089 . 2 2 20 20 ILE CG2 C 13 17.496 . . 2 . . . . 92 I CG2 . 16824 1 1090 . 2 2 20 20 ILE N N 15 122.520 . . 1 . . . . 92 I N . 16824 1 1091 . 2 2 21 21 GLN H H 1 8.300 . . 1 . . . . 93 Q HN . 16824 1 1092 . 2 2 21 21 GLN HA H 1 4.647 . . 1 . . . . 93 Q HA . 16824 1 1093 . 2 2 21 21 GLN HB2 H 1 1.830 . . 2 . . . . 93 Q HB1 . 16824 1 1094 . 2 2 21 21 GLN HB3 H 1 2.101 . . 2 . . . . 93 Q HB2 . 16824 1 1095 . 2 2 21 21 GLN HE21 H 1 7.500 . . 2 . . . . 93 Q HE21 . 16824 1 1096 . 2 2 21 21 GLN HE22 H 1 6.820 . . 2 . . . . 93 Q HE22 . 16824 1 1097 . 2 2 21 21 GLN HG2 H 1 2.360 . . 2 . . . . 93 Q HG1 . 16824 1 1098 . 2 2 21 21 GLN HG3 H 1 2.362 . . 2 . . . . 93 Q HG2 . 16824 1 1099 . 2 2 21 21 GLN CA C 13 52.640 . . 1 . . . . 93 Q CA . 16824 1 1100 . 2 2 21 21 GLN CB C 13 29.200 . . 1 . . . . 93 Q CB . 16824 1 1101 . 2 2 21 21 GLN CG C 13 33.400 . . 1 . . . . 93 Q CG . 16824 1 1102 . 2 2 21 21 GLN N N 15 125.250 . . 1 . . . . 93 Q N . 16824 1 1103 . 2 2 21 21 GLN NE2 N 15 112.200 . . 1 . . . . 93 Q NE2 . 16824 1 1104 . 2 2 22 22 PRO HA H 1 4.366 . . 1 . . . . 94 P HA . 16824 1 1105 . 2 2 22 22 PRO HB2 H 1 2.436 . . 2 . . . . 94 P HB1 . 16824 1 1106 . 2 2 22 22 PRO HB3 H 1 2.042 . . 2 . . . . 94 P HB2 . 16824 1 1107 . 2 2 22 22 PRO HD2 H 1 3.993 . . 2 . . . . 94 P HD1 . 16824 1 1108 . 2 2 22 22 PRO HD3 H 1 3.667 . . 2 . . . . 94 P HD2 . 16824 1 1109 . 2 2 22 22 PRO HG2 H 1 1.930 . . 2 . . . . 94 P HG1 . 16824 1 1110 . 2 2 22 22 PRO HG3 H 1 2.156 . . 2 . . . . 94 P HG2 . 16824 1 1111 . 2 2 22 22 PRO C C 13 176.619 . . 1 . . . . 94 P C . 16824 1 1112 . 2 2 22 22 PRO CA C 13 63.175 . . 1 . . . . 94 P CA . 16824 1 1113 . 2 2 22 22 PRO CB C 13 32.413 . . 1 . . . . 94 P CB . 16824 1 1114 . 2 2 22 22 PRO CD C 13 50.609 . . 1 . . . . 94 P CD . 16824 1 1115 . 2 2 22 22 PRO CG C 13 28.086 . . 1 . . . . 94 P CG . 16824 1 1116 . 2 2 23 23 ALA H H 1 8.540 . . 1 . . . . 95 A HN . 16824 1 1117 . 2 2 23 23 ALA HA H 1 4.246 . . 1 . . . . 95 A HA . 16824 1 1118 . 2 2 23 23 ALA HB1 H 1 1.448 . . 1 . . . . 95 A HB1 . 16824 1 1119 . 2 2 23 23 ALA HB2 H 1 1.448 . . 1 . . . . 95 A HB1 . 16824 1 1120 . 2 2 23 23 ALA HB3 H 1 1.448 . . 1 . . . . 95 A HB1 . 16824 1 1121 . 2 2 23 23 ALA C C 13 178.222 . . 1 . . . . 95 A C . 16824 1 1122 . 2 2 23 23 ALA CA C 13 53.460 . . 1 . . . . 95 A CA . 16824 1 1123 . 2 2 23 23 ALA CB C 13 19.229 . . 1 . . . . 95 A CB . 16824 1 1124 . 2 2 23 23 ALA N N 15 126.050 . . 1 . . . . 95 A N . 16824 1 1125 . 2 2 24 24 ARG H H 1 8.490 . . 1 . . . . 96 R HN . 16824 1 1126 . 2 2 24 24 ARG HA H 1 4.323 . . 1 . . . . 96 R HA . 16824 1 1127 . 2 2 24 24 ARG HB2 H 1 1.803 . . 2 . . . . 96 R HB1 . 16824 1 1128 . 2 2 24 24 ARG HB3 H 1 1.679 . . 2 . . . . 96 R HB2 . 16824 1 1129 . 2 2 24 24 ARG HD2 H 1 3.226 . . 2 . . . . 96 R HD1 . 16824 1 1130 . 2 2 24 24 ARG HD3 H 1 3.162 . . 2 . . . . 96 R HD2 . 16824 1 1131 . 2 2 24 24 ARG HG2 H 1 1.612 . . 2 . . . . 96 R HG1 . 16824 1 1132 . 2 2 24 24 ARG HG3 H 1 1.566 . . 2 . . . . 96 R HG2 . 16824 1 1133 . 2 2 24 24 ARG C C 13 175.611 . . 1 . . . . 96 R C . 16824 1 1134 . 2 2 24 24 ARG CA C 13 56.020 . . 1 . . . . 96 R CA . 16824 1 1135 . 2 2 24 24 ARG CB C 13 31.110 . . 1 . . . . 96 R CB . 16824 1 1136 . 2 2 24 24 ARG CD C 13 43.463 . . 1 . . . . 96 R CD . 16824 1 1137 . 2 2 24 24 ARG CG C 13 27.254 . . 1 . . . . 96 R CG . 16824 1 1138 . 2 2 24 24 ARG N N 15 118.400 . . 1 . . . . 96 R N . 16824 1 1139 . 2 2 25 25 ASN H H 1 8.380 . . 1 . . . . 97 N HN . 16824 1 1140 . 2 2 25 25 ASN HA H 1 4.682 . . 1 . . . . 97 N HA . 16824 1 1141 . 2 2 25 25 ASN HB2 H 1 2.787 . . 2 . . . . 97 N HB1 . 16824 1 1142 . 2 2 25 25 ASN HB3 H 1 2.916 . . 2 . . . . 97 N HB2 . 16824 1 1143 . 2 2 25 25 ASN HD21 H 1 7.620 . . 2 . . . . 97 N HD21 . 16824 1 1144 . 2 2 25 25 ASN HD22 H 1 6.920 . . 2 . . . . 97 N HD22 . 16824 1 1145 . 2 2 25 25 ASN C C 13 175.525 . . 1 . . . . 97 N C . 16824 1 1146 . 2 2 25 25 ASN CA C 13 53.110 . . 1 . . . . 97 N CA . 16824 1 1147 . 2 2 25 25 ASN CB C 13 38.540 . . 1 . . . . 97 N CB . 16824 1 1148 . 2 2 25 25 ASN N N 15 119.200 . . 1 . . . . 97 N N . 16824 1 1149 . 2 2 25 25 ASN ND2 N 15 112.100 . . 1 . . . . 97 N ND2 . 16824 1 1150 . 2 2 26 26 MET H H 1 8.360 . . 1 . . . . 98 M HN . 16824 1 1151 . 2 2 26 26 MET HA H 1 4.456 . . 1 . . . . 98 M HA . 16824 1 1152 . 2 2 26 26 MET HB2 H 1 2.159 . . 2 . . . . 98 M HB1 . 16824 1 1153 . 2 2 26 26 MET HB3 H 1 2.009 . . 2 . . . . 98 M HB2 . 16824 1 1154 . 2 2 26 26 MET HE1 H 1 2.100 . . 1 . . . . 98 M HE1 . 16824 1 1155 . 2 2 26 26 MET HE2 H 1 2.100 . . 1 . . . . 98 M HE1 . 16824 1 1156 . 2 2 26 26 MET HE3 H 1 2.100 . . 1 . . . . 98 M HE1 . 16824 1 1157 . 2 2 26 26 MET HG2 H 1 2.651 . . 2 . . . . 98 M HG1 . 16824 1 1158 . 2 2 26 26 MET HG3 H 1 2.530 . . 2 . . . . 98 M HG2 . 16824 1 1159 . 2 2 26 26 MET C C 13 176.262 . . 1 . . . . 98 M C . 16824 1 1160 . 2 2 26 26 MET CA C 13 55.520 . . 1 . . . . 98 M CA . 16824 1 1161 . 2 2 26 26 MET CB C 13 32.140 . . 1 . . . . 98 M CB . 16824 1 1162 . 2 2 26 26 MET CE C 13 16.649 . . 1 . . . . 98 M CE . 16824 1 1163 . 2 2 26 26 MET CG C 13 32.140 . . 1 . . . . 98 M CG . 16824 1 1164 . 2 2 26 26 MET N N 15 121.730 . . 1 . . . . 98 M N . 16824 1 1165 . 2 2 27 27 ALA H H 1 8.190 . . 1 . . . . 99 A HN . 16824 1 1166 . 2 2 27 27 ALA HA H 1 4.315 . . 1 . . . . 99 A HA . 16824 1 1167 . 2 2 27 27 ALA HB1 H 1 1.410 . . 1 . . . . 99 A HB1 . 16824 1 1168 . 2 2 27 27 ALA HB2 H 1 1.410 . . 1 . . . . 99 A HB1 . 16824 1 1169 . 2 2 27 27 ALA HB3 H 1 1.410 . . 1 . . . . 99 A HB1 . 16824 1 1170 . 2 2 27 27 ALA C C 13 177.658 . . 1 . . . . 99 A C . 16824 1 1171 . 2 2 27 27 ALA CA C 13 52.810 . . 1 . . . . 99 A CA . 16824 1 1172 . 2 2 27 27 ALA CB C 13 19.160 . . 1 . . . . 99 A CB . 16824 1 1173 . 2 2 27 27 ALA N N 15 123.930 . . 1 . . . . 99 A N . 16824 1 1174 . 2 2 28 28 GLU H H 1 8.170 . . 1 . . . . 100 E HN . 16824 1 1175 . 2 2 28 28 GLU HA H 1 4.237 . . 1 . . . . 100 E HA . 16824 1 1176 . 2 2 28 28 GLU HB2 H 1 1.907 . . 2 . . . . 100 E HB1 . 16824 1 1177 . 2 2 28 28 GLU HB3 H 1 1.987 . . 2 . . . . 100 E HB2 . 16824 1 1178 . 2 2 28 28 GLU HG2 H 1 2.232 . . 2 . . . . 100 E HG1 . 16824 1 1179 . 2 2 28 28 GLU HG3 H 1 2.171 . . 2 . . . . 100 E HG2 . 16824 1 1180 . 2 2 28 28 GLU C C 13 176.078 . . 1 . . . . 100 E C . 16824 1 1181 . 2 2 28 28 GLU CA C 13 56.560 . . 1 . . . . 100 E CA . 16824 1 1182 . 2 2 28 28 GLU CB C 13 30.440 . . 1 . . . . 100 E CB . 16824 1 1183 . 2 2 28 28 GLU CG C 13 36.324 . . 1 . . . . 100 E CG . 16824 1 1184 . 2 2 28 28 GLU N N 15 118.880 . . 1 . . . . 100 E N . 16824 1 1185 . 2 2 29 29 HIS H H 1 8.250 . . 1 . . . . 101 H HN . 16824 1 1186 . 2 2 29 29 HIS HA H 1 4.643 . . 1 . . . . 101 H HA . 16824 1 1187 . 2 2 29 29 HIS HB2 H 1 3.109 . . 2 . . . . 101 H HB1 . 16824 1 1188 . 2 2 29 29 HIS HB3 H 1 3.113 . . 2 . . . . 101 H HB2 . 16824 1 1189 . 2 2 29 29 HIS HD2 H 1 7.015 . . 3 . . . . 101 H HD2 . 16824 1 1190 . 2 2 29 29 HIS HE1 H 1 7.953 . . 3 . . . . 101 H HE1 . 16824 1 1191 . 2 2 29 29 HIS C C 13 174.587 . . 1 . . . . 101 H C . 16824 1 1192 . 2 2 29 29 HIS CA C 13 55.850 . . 1 . . . . 101 H CA . 16824 1 1193 . 2 2 29 29 HIS CB C 13 30.510 . . 1 . . . . 101 H CB . 16824 1 1194 . 2 2 29 29 HIS CD2 C 13 119.819 . . 1 . . . . 101 H CD2 . 16824 1 1195 . 2 2 29 29 HIS CE1 C 13 137.959 . . 1 . . . . 101 H CE1 . 16824 1 1196 . 2 2 29 29 HIS N N 15 120.250 . . 1 . . . . 101 H N . 16824 1 1197 . 2 2 30 30 ILE H H 1 8.090 . . 1 . . . . 102 I HN . 16824 1 1198 . 2 2 30 30 ILE HA H 1 4.436 . . 1 . . . . 102 I HA . 16824 1 1199 . 2 2 30 30 ILE HB H 1 1.818 . . 1 . . . . 102 I HB . 16824 1 1200 . 2 2 30 30 ILE HD11 H 1 0.846 . . 1 . . . . 102 I HD11 . 16824 1 1201 . 2 2 30 30 ILE HD12 H 1 0.846 . . 1 . . . . 102 I HD11 . 16824 1 1202 . 2 2 30 30 ILE HD13 H 1 0.846 . . 1 . . . . 102 I HD11 . 16824 1 1203 . 2 2 30 30 ILE HG12 H 1 1.475 . . 1 . . . . 102 I HG11 . 16824 1 1204 . 2 2 30 30 ILE HG13 H 1 1.127 . . 1 . . . . 102 I HG12 . 16824 1 1205 . 2 2 30 30 ILE HG21 H 1 0.925 . . 2 . . . . 102 I HG21 . 16824 1 1206 . 2 2 30 30 ILE HG22 H 1 0.925 . . 2 . . . . 102 I HG21 . 16824 1 1207 . 2 2 30 30 ILE HG23 H 1 0.925 . . 2 . . . . 102 I HG21 . 16824 1 1208 . 2 2 30 30 ILE CA C 13 58.470 . . 1 . . . . 102 I CA . 16824 1 1209 . 2 2 30 30 ILE CB C 13 38.630 . . 1 . . . . 102 I CB . 16824 1 1210 . 2 2 30 30 ILE CD1 C 13 12.708 . . 1 . . . . 102 I CD1 . 16824 1 1211 . 2 2 30 30 ILE CG1 C 13 26.907 . . 2 . . . . 102 I CG1 . 16824 1 1212 . 2 2 30 30 ILE CG2 C 13 17.086 . . 1 . . . . 102 I CG2 . 16824 1 1213 . 2 2 30 30 ILE N N 15 124.850 . . 1 . . . . 102 I N . 16824 1 1214 . 2 2 31 31 PRO HA H 1 4.640 . . 1 . . . . 103 P HA . 16824 1 1215 . 2 2 31 31 PRO HB2 H 1 1.906 . . 2 . . . . 103 P HB1 . 16824 1 1216 . 2 2 31 31 PRO HB3 H 1 2.363 . . 2 . . . . 103 P HB2 . 16824 1 1217 . 2 2 31 31 PRO HD2 H 1 3.663 . . 2 . . . . 103 P HD1 . 16824 1 1218 . 2 2 31 31 PRO HD3 H 1 3.858 . . 2 . . . . 103 P HD2 . 16824 1 1219 . 2 2 31 31 PRO HG2 H 1 2.008 . . 2 . . . . 103 P HG1 . 16824 1 1220 . 2 2 31 31 PRO HG3 H 1 2.055 . . 2 . . . . 103 P HG2 . 16824 1 1221 . 2 2 31 31 PRO CA C 13 61.480 . . 1 . . . . 103 P CA . 16824 1 1222 . 2 2 31 31 PRO CB C 13 31.140 . . 1 . . . . 103 P CB . 16824 1 1223 . 2 2 31 31 PRO CD C 13 50.870 . . 1 . . . . 103 P CD . 16824 1 1224 . 2 2 31 31 PRO CG C 13 27.350 . . 1 . . . . 103 P CG . 16824 1 1225 . 2 2 32 32 PRO HA H 1 4.390 . . 1 . . . . 104 P HA . 16824 1 1226 . 2 2 32 32 PRO HB2 H 1 2.268 . . 2 . . . . 104 P HB1 . 16824 1 1227 . 2 2 32 32 PRO HB3 H 1 1.901 . . 2 . . . . 104 P HB2 . 16824 1 1228 . 2 2 32 32 PRO HD2 H 1 3.828 . . 2 . . . . 104 P HD1 . 16824 1 1229 . 2 2 32 32 PRO HD3 H 1 3.657 . . 2 . . . . 104 P HD2 . 16824 1 1230 . 2 2 32 32 PRO HG2 H 1 2.023 . . 2 . . . . 104 P HG1 . 16824 1 1231 . 2 2 32 32 PRO HG3 H 1 1.905 . . 2 . . . . 104 P HG2 . 16824 1 1232 . 2 2 32 32 PRO C C 13 176.170 . . 1 . . . . 104 P C . 16824 1 1233 . 2 2 32 32 PRO CA C 13 62.727 . . 1 . . . . 104 P CA . 16824 1 1234 . 2 2 32 32 PRO CB C 13 32.053 . . 1 . . . . 104 P CB . 16824 1 1235 . 2 2 32 32 PRO CD C 13 50.528 . . 1 . . . . 104 P CD . 16824 1 1236 . 2 2 32 32 PRO CG C 13 26.908 . . 1 . . . . 104 P CG . 16824 1 1237 . 2 2 33 33 ALA H H 1 8.166 . . 1 . . . . 105 A HN . 16824 1 1238 . 2 2 33 33 ALA HA H 1 4.535 . . 1 . . . . 105 A HA . 16824 1 1239 . 2 2 33 33 ALA HB1 H 1 1.320 . . 1 . . . . 105 A HB1 . 16824 1 1240 . 2 2 33 33 ALA HB2 H 1 1.320 . . 1 . . . . 105 A HB1 . 16824 1 1241 . 2 2 33 33 ALA HB3 H 1 1.320 . . 1 . . . . 105 A HB1 . 16824 1 1242 . 2 2 33 33 ALA CA C 13 50.218 . . 1 . . . . 105 A CA . 16824 1 1243 . 2 2 33 33 ALA CB C 13 18.249 . . 1 . . . . 105 A CB . 16824 1 1244 . 2 2 33 33 ALA N N 15 125.099 . . 1 . . . . 105 A N . 16824 1 1245 . 2 2 34 34 PRO HA H 1 4.234 . . 1 . . . . 106 P HA . 16824 1 1246 . 2 2 34 34 PRO HB2 H 1 1.955 . . 2 . . . . 106 P HB1 . 16824 1 1247 . 2 2 34 34 PRO HB3 H 1 1.517 . . 2 . . . . 106 P HB2 . 16824 1 1248 . 2 2 34 34 PRO HD2 H 1 3.735 . . 2 . . . . 106 P HD1 . 16824 1 1249 . 2 2 34 34 PRO HD3 H 1 3.577 . . 2 . . . . 106 P HD2 . 16824 1 1250 . 2 2 34 34 PRO HG2 H 1 1.908 . . 2 . . . . 106 P HG1 . 16824 1 1251 . 2 2 34 34 PRO HG3 H 1 1.905 . . 2 . . . . 106 P HG2 . 16824 1 1252 . 2 2 34 34 PRO C C 13 176.299 . . 1 . . . . 106 P C . 16824 1 1253 . 2 2 34 34 PRO CA C 13 63.012 . . 1 . . . . 106 P CA . 16824 1 1254 . 2 2 34 34 PRO CB C 13 31.825 . . 1 . . . . 106 P CB . 16824 1 1255 . 2 2 34 34 PRO CD C 13 50.376 . . 1 . . . . 106 P CD . 16824 1 1256 . 2 2 34 34 PRO CG C 13 26.925 . . 1 . . . . 106 P CG . 16824 1 1257 . 2 2 35 35 ASN H H 1 8.140 . . 1 . . . . 107 N HN . 16824 1 1258 . 2 2 35 35 ASN HA H 1 4.668 . . 1 . . . . 107 N HA . 16824 1 1259 . 2 2 35 35 ASN HB2 H 1 2.670 . . 2 . . . . 107 N HB1 . 16824 1 1260 . 2 2 35 35 ASN HB3 H 1 2.742 . . 2 . . . . 107 N HB2 . 16824 1 1261 . 2 2 35 35 ASN HD21 H 1 7.520 . . 2 . . . . 107 N HD21 . 16824 1 1262 . 2 2 35 35 ASN HD22 H 1 6.850 . . 2 . . . . 107 N HD22 . 16824 1 1263 . 2 2 35 35 ASN C C 13 173.759 . . 1 . . . . 107 N C . 16824 1 1264 . 2 2 35 35 ASN CA C 13 52.980 . . 1 . . . . 107 N CA . 16824 1 1265 . 2 2 35 35 ASN CB C 13 38.910 . . 1 . . . . 107 N CB . 16824 1 1266 . 2 2 35 35 ASN N N 15 118.650 . . 1 . . . . 107 N N . 16824 1 1267 . 2 2 35 35 ASN ND2 N 15 112.700 . . 1 . . . . 107 N ND2 . 16824 1 1268 . 2 2 36 36 TRP H H 1 7.510 . . 1 . . . . 108 W HN . 16824 1 1269 . 2 2 36 36 TRP HA H 1 4.530 . . 1 . . . . 108 W HA . 16824 1 1270 . 2 2 36 36 TRP HB2 H 1 3.340 . . 2 . . . . 108 W HB1 . 16824 1 1271 . 2 2 36 36 TRP HB3 H 1 3.195 . . 2 . . . . 108 W HB2 . 16824 1 1272 . 2 2 36 36 TRP HD1 H 1 7.220 . . 1 . . . . 108 W HD1 . 16824 1 1273 . 2 2 36 36 TRP HE1 H 1 10.074 . . 3 . . . . 108 W HE1 . 16824 1 1274 . 2 2 36 36 TRP HE3 H 1 7.695 . . 3 . . . . 108 W HE3 . 16824 1 1275 . 2 2 36 36 TRP HH2 H 1 7.230 . . 1 . . . . 108 W HH2 . 16824 1 1276 . 2 2 36 36 TRP HZ2 H 1 7.493 . . 3 . . . . 108 W HZ2 . 16824 1 1277 . 2 2 36 36 TRP HZ3 H 1 7.170 . . 3 . . . . 108 W HZ3 . 16824 1 1278 . 2 2 36 36 TRP CA C 13 58.660 . . 1 . . . . 108 W CA . 16824 1 1279 . 2 2 36 36 TRP CB C 13 30.050 . . 1 . . . . 108 W CB . 16824 1 1280 . 2 2 36 36 TRP CD1 C 13 126.600 . . 3 . . . . 108 W CD1 . 16824 1 1281 . 2 2 36 36 TRP CZ2 C 13 114.300 . . 3 . . . . 108 W CZ2 . 16824 1 1282 . 2 2 36 36 TRP N N 15 125.850 . . 1 . . . . 108 W N . 16824 1 1283 . 2 2 36 36 TRP NE1 N 15 128.777 . . 1 . . . . 108 W NE1 . 16824 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 256 16824 1 1 257 16824 1 1 258 16824 1 1 259 16824 1 1 260 16824 1 1 261 16824 1 2 473 16824 1 2 474 16824 1 2 475 16824 1 2 476 16824 1 2 477 16824 1 2 478 16824 1 3 567 16824 1 3 568 16824 1 3 569 16824 1 4 910 16824 1 4 911 16824 1 4 912 16824 1 4 913 16824 1 4 914 16824 1 4 915 16824 1 5 963 16824 1 5 964 16824 1 5 965 16824 1 5 966 16824 1 5 967 16824 1 5 968 16824 1 6 1025 16824 1 6 1026 16824 1 6 1027 16824 1 stop_ save_