data_6551 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6551 _Entry.Title ; Solution structure of the C-terminal domain of ERCC1 complexed with the C-terminal domain of XPF ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2005-03-18 _Entry.Accession_date 2005-03-28 _Entry.Last_release_date 2005-12-14 _Entry.Original_release_date 2005-12-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 K. Tripsianes . . . 6551 2 G. Folkers . . . 6551 3 H. Odijk . . . 6551 4 N. Jaspers . G. . 6551 5 J. Hoeijmakers . H. . 6551 6 R. Kaptein . . . 6551 7 R. Boelens . . . 6551 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6551 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1184 6551 '13C chemical shifts' 575 6551 '15N chemical shifts' 165 6551 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-12-14 2005-03-18 original author . 6551 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6551 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16338413 _Citation.Full_citation . _Citation.Title ; The Structure of the Human ERCC1/XPF Interaction Domains Reveals a Complementary Role for the Two Proteins in Nucleotide Excision Repair ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Structure (Cambridge, MA, U. S.)' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1849 _Citation.Page_last 1858 _Citation.Year 2005 _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 Konstantinos Tripsianes . . . 6551 1 2 Gert Folkers . . . 6551 1 3 Eiso AB . . . 6551 1 4 Devashish Das . . . 6551 1 5 Hanny Odijk . . . 6551 1 6 Nicolaas Jaspers . G.J. . 6551 1 7 Jan Hoeijmakers . H.J. . 6551 1 8 Robert Kaptein . . . 6551 1 9 Rolf Boelens . . . 6551 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID helix-hairpin-helix 6551 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ERCC-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ERCC-1 _Assembly.Entry_ID 6551 _Assembly.ID 1 _Assembly.Name 'DNA excision repair protein ERCC-1, DNA repair endonuclease XPF (E.C.3.1.-.-)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6551 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DNA excision repair protein ERCC-1' 1 $ERCC-1 . . . native . . . . . 6551 1 2 'DNA repair endonuclease XPF' 2 $XPF . . . native . . . . . 6551 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1Z00 . . . . . . 6551 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DNA excision repair protein ERCC-1, DNA repair endonuclease XPF (E.C.3.1.-.-)' system 6551 1 ERCC-1 abbreviation 6551 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ERCC-1 _Entity.Sf_category entity _Entity.Sf_framecode ERCC-1 _Entity.Entry_ID 6551 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ERCC-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MADLLMEKLEQDFVSRVTEC LTTVKSVNKTDSQTLLTTFG SLEQLIAASREDLALCPGLG PQKARRLFDVLHEPFLKVPG GLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6851 . XPF_dna_repair_protein . . . . . 100.00 84 100.00 100.00 2.24e-54 . . . . 6551 1 2 no PDB 1Z00 . "Solution Structure Of The C-Terminal Domain Of Ercc1 Complexed With The C-Terminal Domain Of Xpf" . . . . . 100.00 84 100.00 100.00 2.24e-54 . . . . 6551 1 3 no PDB 2A1J . "Crystal Structure Of The Complex Between The C-Terminal Domains Of Human Xpf And Ercc1" . . . . . 73.81 63 100.00 100.00 6.53e-37 . . . . 6551 1 4 no PDB 2AQ0 . "Solution Structure Of The Human Homodimeric Dna Repair Protein Xpf" . . . . . 100.00 84 100.00 100.00 2.24e-54 . . . . 6551 1 5 no PDB 2KN7 . "Structure Of The Xpf-Single Strand Dna Complex" . . . . . 79.76 67 100.00 100.00 1.95e-41 . . . . 6551 1 6 no DBJ BAF82415 . "unnamed protein product [Homo sapiens]" . . . . . 98.81 916 100.00 100.00 5.60e-47 . . . . 6551 1 7 no DBJ BAG63350 . "unnamed protein product [Homo sapiens]" . . . . . 98.81 466 100.00 100.00 4.80e-50 . . . . 6551 1 8 no GB AAB07689 . "DNA repair endonuclease subunit [Homo sapiens]" . . . . . 98.81 905 100.00 100.00 5.02e-47 . . . . 6551 1 9 no GB AAB50174 . "DNA repair protein [Homo sapiens]" . . . . . 98.81 916 100.00 100.00 5.33e-47 . . . . 6551 1 10 no GB AAI60102 . "Excision repair cross-complementing rodent repair deficiency, complementation group 4 [synthetic construct]" . . . . . 98.81 916 100.00 100.00 5.33e-47 . . . . 6551 1 11 no GB AAL91593 . "excision repair cross-complementing rodent repair deficiency, complementation group 4 [Homo sapiens]" . . . . . 98.81 916 100.00 100.00 5.33e-47 . . . . 6551 1 12 no GB EAW85117 . "excision repair cross-complementing rodent repair deficiency, complementation group 4, isoform CRA_a [Homo sapiens]" . . . . . 98.81 916 100.00 100.00 5.33e-47 . . . . 6551 1 13 no REF NP_005227 . "DNA repair endonuclease XPF [Homo sapiens]" . . . . . 98.81 916 100.00 100.00 5.33e-47 . . . . 6551 1 14 no REF XP_003832737 . "PREDICTED: DNA repair endonuclease XPF [Pan paniscus]" . . . . . 98.81 916 100.00 100.00 4.77e-47 . . . . 6551 1 15 no REF XP_004057285 . "PREDICTED: DNA repair endonuclease XPF [Gorilla gorilla gorilla]" . . . . . 98.81 867 100.00 100.00 4.17e-47 . . . . 6551 1 16 no REF XP_510831 . "PREDICTED: DNA repair endonuclease XPF [Pan troglodytes]" . . . . . 98.81 916 100.00 100.00 4.77e-47 . . . . 6551 1 17 no SP Q92889 . "RecName: Full=DNA repair endonuclease XPF; AltName: Full=DNA excision repair protein ERCC-4; AltName: Full=DNA repair protein c" . . . . . 98.81 916 100.00 100.00 5.33e-47 . . . . 6551 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ERCC-1 common 6551 1 ERCC-1 abbreviation 6551 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6551 1 2 . ALA . 6551 1 3 . ASP . 6551 1 4 . LEU . 6551 1 5 . LEU . 6551 1 6 . MET . 6551 1 7 . GLU . 6551 1 8 . LYS . 6551 1 9 . LEU . 6551 1 10 . GLU . 6551 1 11 . GLN . 6551 1 12 . ASP . 6551 1 13 . PHE . 6551 1 14 . VAL . 6551 1 15 . SER . 6551 1 16 . ARG . 6551 1 17 . VAL . 6551 1 18 . THR . 6551 1 19 . GLU . 6551 1 20 . CYS . 6551 1 21 . LEU . 6551 1 22 . THR . 6551 1 23 . THR . 6551 1 24 . VAL . 6551 1 25 . LYS . 6551 1 26 . SER . 6551 1 27 . VAL . 6551 1 28 . ASN . 6551 1 29 . LYS . 6551 1 30 . THR . 6551 1 31 . ASP . 6551 1 32 . SER . 6551 1 33 . GLN . 6551 1 34 . THR . 6551 1 35 . LEU . 6551 1 36 . LEU . 6551 1 37 . THR . 6551 1 38 . THR . 6551 1 39 . PHE . 6551 1 40 . GLY . 6551 1 41 . SER . 6551 1 42 . LEU . 6551 1 43 . GLU . 6551 1 44 . GLN . 6551 1 45 . LEU . 6551 1 46 . ILE . 6551 1 47 . ALA . 6551 1 48 . ALA . 6551 1 49 . SER . 6551 1 50 . ARG . 6551 1 51 . GLU . 6551 1 52 . ASP . 6551 1 53 . LEU . 6551 1 54 . ALA . 6551 1 55 . LEU . 6551 1 56 . CYS . 6551 1 57 . PRO . 6551 1 58 . GLY . 6551 1 59 . LEU . 6551 1 60 . GLY . 6551 1 61 . PRO . 6551 1 62 . GLN . 6551 1 63 . LYS . 6551 1 64 . ALA . 6551 1 65 . ARG . 6551 1 66 . ARG . 6551 1 67 . LEU . 6551 1 68 . PHE . 6551 1 69 . ASP . 6551 1 70 . VAL . 6551 1 71 . LEU . 6551 1 72 . HIS . 6551 1 73 . GLU . 6551 1 74 . PRO . 6551 1 75 . PHE . 6551 1 76 . LEU . 6551 1 77 . LYS . 6551 1 78 . VAL . 6551 1 79 . PRO . 6551 1 80 . GLY . 6551 1 81 . GLY . 6551 1 82 . LEU . 6551 1 83 . GLU . 6551 1 84 . HIS . 6551 1 85 . HIS . 6551 1 86 . HIS . 6551 1 87 . HIS . 6551 1 88 . HIS . 6551 1 89 . HIS . 6551 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6551 1 . ALA 2 2 6551 1 . ASP 3 3 6551 1 . LEU 4 4 6551 1 . LEU 5 5 6551 1 . MET 6 6 6551 1 . GLU 7 7 6551 1 . LYS 8 8 6551 1 . LEU 9 9 6551 1 . GLU 10 10 6551 1 . GLN 11 11 6551 1 . ASP 12 12 6551 1 . PHE 13 13 6551 1 . VAL 14 14 6551 1 . SER 15 15 6551 1 . ARG 16 16 6551 1 . VAL 17 17 6551 1 . THR 18 18 6551 1 . GLU 19 19 6551 1 . CYS 20 20 6551 1 . LEU 21 21 6551 1 . THR 22 22 6551 1 . THR 23 23 6551 1 . VAL 24 24 6551 1 . LYS 25 25 6551 1 . SER 26 26 6551 1 . VAL 27 27 6551 1 . ASN 28 28 6551 1 . LYS 29 29 6551 1 . THR 30 30 6551 1 . ASP 31 31 6551 1 . SER 32 32 6551 1 . GLN 33 33 6551 1 . THR 34 34 6551 1 . LEU 35 35 6551 1 . LEU 36 36 6551 1 . THR 37 37 6551 1 . THR 38 38 6551 1 . PHE 39 39 6551 1 . GLY 40 40 6551 1 . SER 41 41 6551 1 . LEU 42 42 6551 1 . GLU 43 43 6551 1 . GLN 44 44 6551 1 . LEU 45 45 6551 1 . ILE 46 46 6551 1 . ALA 47 47 6551 1 . ALA 48 48 6551 1 . SER 49 49 6551 1 . ARG 50 50 6551 1 . GLU 51 51 6551 1 . ASP 52 52 6551 1 . LEU 53 53 6551 1 . ALA 54 54 6551 1 . LEU 55 55 6551 1 . CYS 56 56 6551 1 . PRO 57 57 6551 1 . GLY 58 58 6551 1 . LEU 59 59 6551 1 . GLY 60 60 6551 1 . PRO 61 61 6551 1 . GLN 62 62 6551 1 . LYS 63 63 6551 1 . ALA 64 64 6551 1 . ARG 65 65 6551 1 . ARG 66 66 6551 1 . LEU 67 67 6551 1 . PHE 68 68 6551 1 . ASP 69 69 6551 1 . VAL 70 70 6551 1 . LEU 71 71 6551 1 . HIS 72 72 6551 1 . GLU 73 73 6551 1 . PRO 74 74 6551 1 . PHE 75 75 6551 1 . LEU 76 76 6551 1 . LYS 77 77 6551 1 . VAL 78 78 6551 1 . PRO 79 79 6551 1 . GLY 80 80 6551 1 . GLY 81 81 6551 1 . LEU 82 82 6551 1 . GLU 83 83 6551 1 . HIS 84 84 6551 1 . HIS 85 85 6551 1 . HIS 86 86 6551 1 . HIS 87 87 6551 1 . HIS 88 88 6551 1 . HIS 89 89 6551 1 stop_ save_ save_XPF _Entity.Sf_category entity _Entity.Sf_framecode XPF _Entity.Entry_ID 6551 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name XPF _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDSETLPESEKYNPGPQDFL LKMPGVNAKNCRSLMHHVKN IAELAALSQDELTSILGNAA NAKQLYDFIHTSFAEVVSKG KGKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT Q92889 . 'DNA repair endonuclease XPF (DNA excision repair protein ERCC-4) (DNA-repair protein complementing XP-F cells) (Xeroderma pigmentosum group F-complementing protein)' . . . . . 98.81 905 100.00 100.00 2.77e-41 . . . . 6551 2 . . REF XP_510831 . 'PREDICTED: excision repair cross-complementing rodent repair deficiency, complementation group 4 [Pan troglodytes]' . . . . . 98.81 916 100.00 100.00 2.68e-41 . . . . 6551 2 . . REF NP_005227 . 'excision repair cross-complementing rodent repair deficiency, complementation group 4 [Homo sapiens]' . . . . . 98.81 916 100.00 100.00 2.94e-41 . . . . 6551 2 . . GenBank EAW85117 . 'excision repair cross-complementing rodent repair deficiency, complementation group 4, isoform CRA_a [Homo sapiens]' . . . . . 98.81 916 100.00 100.00 2.94e-41 . . . . 6551 2 . . GenBank AAL91593 . 'excision repair cross-complementing rodent repair deficiency, complementation group 4 [Homo sapiens]' . . . . . 98.81 916 100.00 100.00 2.94e-41 . . . . 6551 2 . . GenBank AAI60102 . 'Excision repair cross-complementing rodent repair deficiency, complementation group 4 [synthetic construct]' . . . . . 98.81 916 100.00 100.00 2.94e-41 . . . . 6551 2 . . GenBank AAB50174 . 'DNA repair protein [Homo sapiens]' . . . . . 98.81 916 100.00 100.00 2.94e-41 . . . . 6551 2 . . GenBank AAB07689 . 'DNA repair endonuclease subunit' . . . . . 98.81 905 100.00 100.00 2.94e-41 . . . . 6551 2 . . DBJ BAG63350 . 'unnamed protein product [Homo sapiens]' . . . . . 98.81 466 100.00 100.00 1.72e-42 . . . . 6551 2 . . DBJ BAF82415 . 'unnamed protein product [Homo sapiens]' . . . . . 98.81 916 100.00 100.00 3.06e-41 . . . . 6551 2 . . PDB 2AQ0 . 'Solution Structure Of The Human Homodimeric Dna Repair Protein Xpf' . . . . . 100.00 84 100.00 100.00 1.46e-42 . . . . 6551 2 . . PDB 2A1J . 'Crystal Structure Of The Complex Between The C-Terminal Domains Of Human Xpf And Ercc1' . . . . . 73.81 63 100.00 100.00 5.56e-29 . . . . 6551 2 . . PDB 1Z00 . 'Solution Structure Of The C-Terminal Domain Of Ercc1 Complexed With The C-Terminal Domain Of Xpf' . . . . . 100.00 84 100.00 100.00 1.46e-42 . . . . 6551 2 . . BMRB 6851 . XPF . . . . . 100.00 84 100.00 100.00 1.46e-42 . . . . 6551 2 . . BMRB 6502 . 'XPF subunit' . . . . . 98.81 100 100.00 100.00 5.54e-42 . . . . 6551 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID XPF common 6551 2 XPF abbreviation 6551 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 . MET . 6551 2 2 . ASP . 6551 2 3 . SER . 6551 2 4 . GLU . 6551 2 5 . THR . 6551 2 6 . LEU . 6551 2 7 . PRO . 6551 2 8 . GLU . 6551 2 9 . SER . 6551 2 10 . GLU . 6551 2 11 . LYS . 6551 2 12 . TYR . 6551 2 13 . ASN . 6551 2 14 . PRO . 6551 2 15 . GLY . 6551 2 16 . PRO . 6551 2 17 . GLN . 6551 2 18 . ASP . 6551 2 19 . PHE . 6551 2 20 . LEU . 6551 2 21 . LEU . 6551 2 22 . LYS . 6551 2 23 . MET . 6551 2 24 . PRO . 6551 2 25 . GLY . 6551 2 26 . VAL . 6551 2 27 . ASN . 6551 2 28 . ALA . 6551 2 29 . LYS . 6551 2 30 . ASN . 6551 2 31 . CYS . 6551 2 32 . ARG . 6551 2 33 . SER . 6551 2 34 . LEU . 6551 2 35 . MET . 6551 2 36 . HIS . 6551 2 37 . HIS . 6551 2 38 . VAL . 6551 2 39 . LYS . 6551 2 40 . ASN . 6551 2 41 . ILE . 6551 2 42 . ALA . 6551 2 43 . GLU . 6551 2 44 . LEU . 6551 2 45 . ALA . 6551 2 46 . ALA . 6551 2 47 . LEU . 6551 2 48 . SER . 6551 2 49 . GLN . 6551 2 50 . ASP . 6551 2 51 . GLU . 6551 2 52 . LEU . 6551 2 53 . THR . 6551 2 54 . SER . 6551 2 55 . ILE . 6551 2 56 . LEU . 6551 2 57 . GLY . 6551 2 58 . ASN . 6551 2 59 . ALA . 6551 2 60 . ALA . 6551 2 61 . ASN . 6551 2 62 . ALA . 6551 2 63 . LYS . 6551 2 64 . GLN . 6551 2 65 . LEU . 6551 2 66 . TYR . 6551 2 67 . ASP . 6551 2 68 . PHE . 6551 2 69 . ILE . 6551 2 70 . HIS . 6551 2 71 . THR . 6551 2 72 . SER . 6551 2 73 . PHE . 6551 2 74 . ALA . 6551 2 75 . GLU . 6551 2 76 . VAL . 6551 2 77 . VAL . 6551 2 78 . SER . 6551 2 79 . LYS . 6551 2 80 . GLY . 6551 2 81 . LYS . 6551 2 82 . GLY . 6551 2 83 . LYS . 6551 2 84 . LYS . 6551 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 . MET 1 1 6551 2 . ASP 2 2 6551 2 . SER 3 3 6551 2 . GLU 4 4 6551 2 . THR 5 5 6551 2 . LEU 6 6 6551 2 . PRO 7 7 6551 2 . GLU 8 8 6551 2 . SER 9 9 6551 2 . GLU 10 10 6551 2 . LYS 11 11 6551 2 . TYR 12 12 6551 2 . ASN 13 13 6551 2 . PRO 14 14 6551 2 . GLY 15 15 6551 2 . PRO 16 16 6551 2 . GLN 17 17 6551 2 . ASP 18 18 6551 2 . PHE 19 19 6551 2 . LEU 20 20 6551 2 . LEU 21 21 6551 2 . LYS 22 22 6551 2 . MET 23 23 6551 2 . PRO 24 24 6551 2 . GLY 25 25 6551 2 . VAL 26 26 6551 2 . ASN 27 27 6551 2 . ALA 28 28 6551 2 . LYS 29 29 6551 2 . ASN 30 30 6551 2 . CYS 31 31 6551 2 . ARG 32 32 6551 2 . SER 33 33 6551 2 . LEU 34 34 6551 2 . MET 35 35 6551 2 . HIS 36 36 6551 2 . HIS 37 37 6551 2 . VAL 38 38 6551 2 . LYS 39 39 6551 2 . ASN 40 40 6551 2 . ILE 41 41 6551 2 . ALA 42 42 6551 2 . GLU 43 43 6551 2 . LEU 44 44 6551 2 . ALA 45 45 6551 2 . ALA 46 46 6551 2 . LEU 47 47 6551 2 . SER 48 48 6551 2 . GLN 49 49 6551 2 . ASP 50 50 6551 2 . GLU 51 51 6551 2 . LEU 52 52 6551 2 . THR 53 53 6551 2 . SER 54 54 6551 2 . ILE 55 55 6551 2 . LEU 56 56 6551 2 . GLY 57 57 6551 2 . ASN 58 58 6551 2 . ALA 59 59 6551 2 . ALA 60 60 6551 2 . ASN 61 61 6551 2 . ALA 62 62 6551 2 . LYS 63 63 6551 2 . GLN 64 64 6551 2 . LEU 65 65 6551 2 . TYR 66 66 6551 2 . ASP 67 67 6551 2 . PHE 68 68 6551 2 . ILE 69 69 6551 2 . HIS 70 70 6551 2 . THR 71 71 6551 2 . SER 72 72 6551 2 . PHE 73 73 6551 2 . ALA 74 74 6551 2 . GLU 75 75 6551 2 . VAL 76 76 6551 2 . VAL 77 77 6551 2 . SER 78 78 6551 2 . LYS 79 79 6551 2 . GLY 80 80 6551 2 . LYS 81 81 6551 2 . GLY 82 82 6551 2 . LYS 83 83 6551 2 . LYS 84 84 6551 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 6551 _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 $ERCC-1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6551 1 2 2 $XPF . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6551 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 6551 _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 $ERCC-1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6551 1 2 2 $XPF . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6551 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6551 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ERCC-1 '[U-15N; U-13C]' . . 1 $ERCC-1 . . 1.5 . . mM . . . . 6551 1 2 XPF '[U-15N; U-13C]' . . 2 $XPF . . 1.5 . . mM . . . . 6551 1 3 phosphate . . . . . . . 50 . . mM . . . . 6551 1 4 NaCl . . . . . . . 100 . . mM . . . . 6551 1 5 D2O . . . . . . . 8 . . % . . . . 6551 1 6 H2O . . . . . . . 92 . . % . . . . 6551 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6551 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ERCC-1 [U-15N] . . 1 $ERCC-1 . . 1 . . mM . . . . 6551 2 2 XPF [U-15N] . . 2 $XPF . . 1 . . mM . . . . 6551 2 3 phosphate . . . . . . . 50 . . mM . . . . 6551 2 4 NaCl . . . . . . . 100 . . mM . . . . 6551 2 5 D2O . . . . . . . 8 . . % . . . . 6551 2 6 H2O . . . . . . . 92 . . % . . . . 6551 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6551 _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 7.0 . pH 6551 1 temperature 295.5 . K 6551 1 'ionic strength' 150 . mM 6551 1 pressure 1 . atm 6551 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6551 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.5 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6551 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6551 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6551 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6551 _Software.ID 3 _Software.Name Sparky _Software.Version 3.110 _Software.Details 'Goddard and Kneller' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6551 3 stop_ save_ save_cyana _Software.Sf_category software _Software.Sf_framecode cyana _Software.Entry_ID 6551 _Software.ID 4 _Software.Name cyana _Software.Version 2.0 _Software.Details Guntert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6551 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 6551 _Software.ID 5 _Software.Name CNS _Software.Version 1.1 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6551 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6551 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6551 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 900 . . . 6551 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 6551 _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 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6551 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6551 1 3 '(h)cCH NOESY HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6551 1 4 '(h)nCH NOESY HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6551 1 5 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6551 1 6 '2D NOESY 15N filtered' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6551 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6551 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6551 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6551 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '(h)cCH NOESY HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6551 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '(h)nCH NOESY HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6551 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6551 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D NOESY 15N filtered' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6551 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6551 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6551 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6551 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6551 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6551 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 2 2 ALA HA H 1 3.908 0.025 . . . . . . . . . . 6551 1 2 . 1 1 2 2 ALA HB1 H 1 1.216 0.005 . . . . . . . . . . 6551 1 3 . 1 1 2 2 ALA HB2 H 1 1.216 0.005 . . . . . . . . . . 6551 1 4 . 1 1 2 2 ALA HB3 H 1 1.216 0.005 . . . . . . . . . . 6551 1 5 . 1 1 2 2 ALA CA C 13 55.534 0.250 . . . . . . . . . . 6551 1 6 . 1 1 2 2 ALA CB C 13 19.027 0.250 . . . . . . . . . . 6551 1 7 . 1 1 3 3 ASP HA H 1 4.628 0.012 . . . . . . . . . . 6551 1 8 . 1 1 3 3 ASP HB2 H 1 2.706 0.015 . . . . . . . . . . 6551 1 9 . 1 1 3 3 ASP HB3 H 1 2.524 0.001 . . . . . . . . . . 6551 1 10 . 1 1 3 3 ASP CA C 13 54.209 0.280 . . . . . . . . . . 6551 1 11 . 1 1 3 3 ASP CB C 13 41.453 0.250 . . . . . . . . . . 6551 1 12 . 1 1 4 4 LEU H H 1 8.381 0.025 . . . . . . . . . . 6551 1 13 . 1 1 4 4 LEU HA H 1 4.256 0.004 . . . . . . . . . . 6551 1 14 . 1 1 4 4 LEU HB2 H 1 1.617 0.015 . . . . . . . . . . 6551 1 15 . 1 1 4 4 LEU HB3 H 1 1.553 0.015 . . . . . . . . . . 6551 1 16 . 1 1 4 4 LEU HG H 1 2.096 0.015 . . . . . . . . . . 6551 1 17 . 1 1 4 4 LEU HD11 H 1 0.893 0.025 . . . . . . . . . . 6551 1 18 . 1 1 4 4 LEU HD12 H 1 0.893 0.025 . . . . . . . . . . 6551 1 19 . 1 1 4 4 LEU HD13 H 1 0.893 0.025 . . . . . . . . . . 6551 1 20 . 1 1 4 4 LEU HD21 H 1 0.840 0.025 . . . . . . . . . . 6551 1 21 . 1 1 4 4 LEU HD22 H 1 0.840 0.025 . . . . . . . . . . 6551 1 22 . 1 1 4 4 LEU HD23 H 1 0.840 0.025 . . . . . . . . . . 6551 1 23 . 1 1 4 4 LEU CA C 13 55.575 0.250 . . . . . . . . . . 6551 1 24 . 1 1 4 4 LEU CB C 13 42.241 0.250 . . . . . . . . . . 6551 1 25 . 1 1 4 4 LEU CG C 13 26.505 0.250 . . . . . . . . . . 6551 1 26 . 1 1 4 4 LEU CD1 C 13 24.876 0.250 . . . . . . . . . . 6551 1 27 . 1 1 4 4 LEU CD2 C 13 23.550 0.250 . . . . . . . . . . 6551 1 28 . 1 1 4 4 LEU N N 15 123.419 0.250 . . . . . . . . . . 6551 1 29 . 1 1 5 5 LEU H H 1 8.263 0.025 . . . . . . . . . . 6551 1 30 . 1 1 5 5 LEU HA H 1 4.249 0.002 . . . . . . . . . . 6551 1 31 . 1 1 5 5 LEU HB2 H 1 1.673 0.015 . . . . . . . . . . 6551 1 32 . 1 1 5 5 LEU HB3 H 1 1.578 0.015 . . . . . . . . . . 6551 1 33 . 1 1 5 5 LEU HG H 1 1.602 0.015 . . . . . . . . . . 6551 1 34 . 1 1 5 5 LEU HD11 H 1 0.896 0.015 . . . . . . . . . . 6551 1 35 . 1 1 5 5 LEU HD12 H 1 0.896 0.015 . . . . . . . . . . 6551 1 36 . 1 1 5 5 LEU HD13 H 1 0.896 0.015 . . . . . . . . . . 6551 1 37 . 1 1 5 5 LEU HD21 H 1 0.865 0.001 . . . . . . . . . . 6551 1 38 . 1 1 5 5 LEU HD22 H 1 0.865 0.001 . . . . . . . . . . 6551 1 39 . 1 1 5 5 LEU HD23 H 1 0.865 0.001 . . . . . . . . . . 6551 1 40 . 1 1 5 5 LEU CA C 13 55.960 0.250 . . . . . . . . . . 6551 1 41 . 1 1 5 5 LEU CB C 13 41.864 0.250 . . . . . . . . . . 6551 1 42 . 1 1 5 5 LEU CG C 13 27.050 0.250 . . . . . . . . . . 6551 1 43 . 1 1 5 5 LEU CD1 C 13 24.844 0.250 . . . . . . . . . . 6551 1 44 . 1 1 5 5 LEU CD2 C 13 23.715 0.280 . . . . . . . . . . 6551 1 45 . 1 1 5 5 LEU N N 15 122.432 0.250 . . . . . . . . . . 6551 1 46 . 1 1 6 6 MET H H 1 8.204 0.025 . . . . . . . . . . 6551 1 47 . 1 1 6 6 MET HA H 1 4.369 0.006 . . . . . . . . . . 6551 1 48 . 1 1 6 6 MET HB2 H 1 2.014 0.004 . . . . . . . . . . 6551 1 49 . 1 1 6 6 MET HB3 H 1 2.014 0.004 . . . . . . . . . . 6551 1 50 . 1 1 6 6 MET HG2 H 1 2.604 0.027 . . . . . . . . . . 6551 1 51 . 1 1 6 6 MET HG3 H 1 2.513 0.031 . . . . . . . . . . 6551 1 52 . 1 1 6 6 MET HE1 H 1 2.051 0.005 . . . . . . . . . . 6551 1 53 . 1 1 6 6 MET HE2 H 1 2.051 0.005 . . . . . . . . . . 6551 1 54 . 1 1 6 6 MET HE3 H 1 2.051 0.005 . . . . . . . . . . 6551 1 55 . 1 1 6 6 MET CA C 13 56.252 0.258 . . . . . . . . . . 6551 1 56 . 1 1 6 6 MET CB C 13 32.699 0.250 . . . . . . . . . . 6551 1 57 . 1 1 6 6 MET CG C 13 32.241 0.250 . . . . . . . . . . 6551 1 58 . 1 1 6 6 MET CE C 13 17.066 0.250 . . . . . . . . . . 6551 1 59 . 1 1 6 6 MET N N 15 120.464 0.250 . . . . . . . . . . 6551 1 60 . 1 1 7 7 GLU H H 1 8.368 0.025 . . . . . . . . . . 6551 1 61 . 1 1 7 7 GLU HA H 1 4.191 0.006 . . . . . . . . . . 6551 1 62 . 1 1 7 7 GLU HB2 H 1 2.047 0.015 . . . . . . . . . . 6551 1 63 . 1 1 7 7 GLU HB3 H 1 1.933 0.026 . . . . . . . . . . 6551 1 64 . 1 1 7 7 GLU HG2 H 1 2.271 0.015 . . . . . . . . . . 6551 1 65 . 1 1 7 7 GLU HG3 H 1 2.201 0.003 . . . . . . . . . . 6551 1 66 . 1 1 7 7 GLU CA C 13 57.510 0.250 . . . . . . . . . . 6551 1 67 . 1 1 7 7 GLU CB C 13 30.103 0.250 . . . . . . . . . . 6551 1 68 . 1 1 7 7 GLU CG C 13 36.509 0.250 . . . . . . . . . . 6551 1 69 . 1 1 7 7 GLU N N 15 121.177 0.250 . . . . . . . . . . 6551 1 70 . 1 1 8 8 LYS H H 1 8.159 0.025 . . . . . . . . . . 6551 1 71 . 1 1 8 8 LYS HA H 1 4.237 0.015 . . . . . . . . . . 6551 1 72 . 1 1 8 8 LYS HB2 H 1 1.824 0.015 . . . . . . . . . . 6551 1 73 . 1 1 8 8 LYS HB3 H 1 1.824 0.015 . . . . . . . . . . 6551 1 74 . 1 1 8 8 LYS HG2 H 1 1.508 0.025 . . . . . . . . . . 6551 1 75 . 1 1 8 8 LYS HG3 H 1 1.398 0.015 . . . . . . . . . . 6551 1 76 . 1 1 8 8 LYS HD2 H 1 1.661 0.010 . . . . . . . . . . 6551 1 77 . 1 1 8 8 LYS HD3 H 1 1.661 0.010 . . . . . . . . . . 6551 1 78 . 1 1 8 8 LYS HE2 H 1 2.822 0.002 . . . . . . . . . . 6551 1 79 . 1 1 8 8 LYS HE3 H 1 2.822 0.002 . . . . . . . . . . 6551 1 80 . 1 1 8 8 LYS CA C 13 57.312 0.250 . . . . . . . . . . 6551 1 81 . 1 1 8 8 LYS CB C 13 32.688 0.250 . . . . . . . . . . 6551 1 82 . 1 1 8 8 LYS CG C 13 24.870 0.250 . . . . . . . . . . 6551 1 83 . 1 1 8 8 LYS CD C 13 29.226 0.250 . . . . . . . . . . 6551 1 84 . 1 1 8 8 LYS CE C 13 42.273 0.250 . . . . . . . . . . 6551 1 85 . 1 1 8 8 LYS N N 15 121.490 0.250 . . . . . . . . . . 6551 1 86 . 1 1 9 9 LEU H H 1 8.136 0.025 . . . . . . . . . . 6551 1 87 . 1 1 9 9 LEU HA H 1 4.226 0.005 . . . . . . . . . . 6551 1 88 . 1 1 9 9 LEU HB2 H 1 1.739 0.015 . . . . . . . . . . 6551 1 89 . 1 1 9 9 LEU HB3 H 1 1.571 0.011 . . . . . . . . . . 6551 1 90 . 1 1 9 9 LEU HG H 1 1.667 0.009 . . . . . . . . . . 6551 1 91 . 1 1 9 9 LEU HD11 H 1 0.901 0.013 . . . . . . . . . . 6551 1 92 . 1 1 9 9 LEU HD12 H 1 0.901 0.013 . . . . . . . . . . 6551 1 93 . 1 1 9 9 LEU HD13 H 1 0.901 0.013 . . . . . . . . . . 6551 1 94 . 1 1 9 9 LEU HD21 H 1 0.867 0.016 . . . . . . . . . . 6551 1 95 . 1 1 9 9 LEU HD22 H 1 0.867 0.016 . . . . . . . . . . 6551 1 96 . 1 1 9 9 LEU HD23 H 1 0.867 0.016 . . . . . . . . . . 6551 1 97 . 1 1 9 9 LEU CA C 13 56.762 0.250 . . . . . . . . . . 6551 1 98 . 1 1 9 9 LEU CB C 13 42.158 0.250 . . . . . . . . . . 6551 1 99 . 1 1 9 9 LEU CG C 13 27.167 0.250 . . . . . . . . . . 6551 1 100 . 1 1 9 9 LEU CD1 C 13 25.113 0.250 . . . . . . . . . . 6551 1 101 . 1 1 9 9 LEU CD2 C 13 24.175 0.332 . . . . . . . . . . 6551 1 102 . 1 1 9 9 LEU N N 15 121.456 0.250 . . . . . . . . . . 6551 1 103 . 1 1 10 10 GLU H H 1 8.278 0.025 . . . . . . . . . . 6551 1 104 . 1 1 10 10 GLU HA H 1 4.080 0.005 . . . . . . . . . . 6551 1 105 . 1 1 10 10 GLU HB2 H 1 2.060 0.015 . . . . . . . . . . 6551 1 106 . 1 1 10 10 GLU HB3 H 1 2.060 0.015 . . . . . . . . . . 6551 1 107 . 1 1 10 10 GLU HG2 H 1 2.291 0.032 . . . . . . . . . . 6551 1 108 . 1 1 10 10 GLU HG3 H 1 2.188 0.023 . . . . . . . . . . 6551 1 109 . 1 1 10 10 GLU CA C 13 58.316 0.250 . . . . . . . . . . 6551 1 110 . 1 1 10 10 GLU CB C 13 29.944 0.250 . . . . . . . . . . 6551 1 111 . 1 1 10 10 GLU CG C 13 36.439 0.250 . . . . . . . . . . 6551 1 112 . 1 1 10 10 GLU N N 15 120.670 0.250 . . . . . . . . . . 6551 1 113 . 1 1 11 11 GLN H H 1 8.258 0.025 . . . . . . . . . . 6551 1 114 . 1 1 11 11 GLN HA H 1 4.177 0.035 . . . . . . . . . . 6551 1 115 . 1 1 11 11 GLN HB2 H 1 2.072 0.001 . . . . . . . . . . 6551 1 116 . 1 1 11 11 GLN HB3 H 1 2.072 0.001 . . . . . . . . . . 6551 1 117 . 1 1 11 11 GLN HG2 H 1 2.405 0.011 . . . . . . . . . . 6551 1 118 . 1 1 11 11 GLN HG3 H 1 2.340 0.025 . . . . . . . . . . 6551 1 119 . 1 1 11 11 GLN HE21 H 1 7.528 0.025 . . . . . . . . . . 6551 1 120 . 1 1 11 11 GLN HE22 H 1 6.858 0.025 . . . . . . . . . . 6551 1 121 . 1 1 11 11 GLN CA C 13 57.584 0.250 . . . . . . . . . . 6551 1 122 . 1 1 11 11 GLN CB C 13 29.181 0.250 . . . . . . . . . . 6551 1 123 . 1 1 11 11 GLN CG C 13 34.105 0.250 . . . . . . . . . . 6551 1 124 . 1 1 11 11 GLN N N 15 119.502 0.250 . . . . . . . . . . 6551 1 125 . 1 1 11 11 GLN NE2 N 15 112.154 0.250 . . . . . . . . . . 6551 1 126 . 1 1 12 12 ASP H H 1 8.525 0.025 . . . . . . . . . . 6551 1 127 . 1 1 12 12 ASP HA H 1 4.526 0.012 . . . . . . . . . . 6551 1 128 . 1 1 12 12 ASP HB2 H 1 2.849 0.006 . . . . . . . . . . 6551 1 129 . 1 1 12 12 ASP HB3 H 1 2.722 0.009 . . . . . . . . . . 6551 1 130 . 1 1 12 12 ASP CA C 13 55.809 0.250 . . . . . . . . . . 6551 1 131 . 1 1 12 12 ASP CB C 13 41.089 0.250 . . . . . . . . . . 6551 1 132 . 1 1 12 12 ASP N N 15 121.251 0.250 . . . . . . . . . . 6551 1 133 . 1 1 13 13 PHE H H 1 8.175 0.025 . . . . . . . . . . 6551 1 134 . 1 1 13 13 PHE HA H 1 4.471 0.011 . . . . . . . . . . 6551 1 135 . 1 1 13 13 PHE HB2 H 1 3.474 0.012 . . . . . . . . . . 6551 1 136 . 1 1 13 13 PHE HB3 H 1 3.162 0.015 . . . . . . . . . . 6551 1 137 . 1 1 13 13 PHE HD1 H 1 7.130 0.025 . . . . . . . . . . 6551 1 138 . 1 1 13 13 PHE HD2 H 1 7.130 0.025 . . . . . . . . . . 6551 1 139 . 1 1 13 13 PHE HE1 H 1 7.128 0.011 . . . . . . . . . . 6551 1 140 . 1 1 13 13 PHE HE2 H 1 7.128 0.011 . . . . . . . . . . 6551 1 141 . 1 1 13 13 PHE HZ H 1 6.900 0.015 . . . . . . . . . . 6551 1 142 . 1 1 13 13 PHE CA C 13 61.483 0.250 . . . . . . . . . . 6551 1 143 . 1 1 13 13 PHE CB C 13 39.670 0.250 . . . . . . . . . . 6551 1 144 . 1 1 13 13 PHE CD1 C 13 131.787 0.250 . . . . . . . . . . 6551 1 145 . 1 1 13 13 PHE CD2 C 13 131.787 0.250 . . . . . . . . . . 6551 1 146 . 1 1 13 13 PHE CE1 C 13 131.545 0.250 . . . . . . . . . . 6551 1 147 . 1 1 13 13 PHE CE2 C 13 131.545 0.250 . . . . . . . . . . 6551 1 148 . 1 1 13 13 PHE CZ C 13 129.733 0.250 . . . . . . . . . . 6551 1 149 . 1 1 13 13 PHE N N 15 121.904 0.250 . . . . . . . . . . 6551 1 150 . 1 1 14 14 VAL H H 1 8.381 0.025 . . . . . . . . . . 6551 1 151 . 1 1 14 14 VAL HA H 1 3.163 0.005 . . . . . . . . . . 6551 1 152 . 1 1 14 14 VAL HB H 1 2.106 0.007 . . . . . . . . . . 6551 1 153 . 1 1 14 14 VAL HG11 H 1 1.081 0.006 . . . . . . . . . . 6551 1 154 . 1 1 14 14 VAL HG12 H 1 1.081 0.006 . . . . . . . . . . 6551 1 155 . 1 1 14 14 VAL HG13 H 1 1.081 0.006 . . . . . . . . . . 6551 1 156 . 1 1 14 14 VAL HG21 H 1 0.806 0.006 . . . . . . . . . . 6551 1 157 . 1 1 14 14 VAL HG22 H 1 0.806 0.006 . . . . . . . . . . 6551 1 158 . 1 1 14 14 VAL HG23 H 1 0.806 0.006 . . . . . . . . . . 6551 1 159 . 1 1 14 14 VAL CA C 13 66.980 0.250 . . . . . . . . . . 6551 1 160 . 1 1 14 14 VAL CB C 13 31.453 0.250 . . . . . . . . . . 6551 1 161 . 1 1 14 14 VAL CG1 C 13 23.581 0.250 . . . . . . . . . . 6551 1 162 . 1 1 14 14 VAL CG2 C 13 21.162 0.250 . . . . . . . . . . 6551 1 163 . 1 1 14 14 VAL N N 15 118.144 0.250 . . . . . . . . . . 6551 1 164 . 1 1 15 15 SER H H 1 8.442 0.025 . . . . . . . . . . 6551 1 165 . 1 1 15 15 SER HB2 H 1 4.127 0.006 . . . . . . . . . . 6551 1 166 . 1 1 15 15 SER HB3 H 1 4.011 0.009 . . . . . . . . . . 6551 1 167 . 1 1 15 15 SER CB C 13 62.286 0.260 . . . . . . . . . . 6551 1 168 . 1 1 15 15 SER N N 15 118.316 0.250 . . . . . . . . . . 6551 1 169 . 1 1 16 16 ARG HA H 1 4.116 0.003 . . . . . . . . . . 6551 1 170 . 1 1 16 16 ARG HB2 H 1 2.091 0.005 . . . . . . . . . . 6551 1 171 . 1 1 16 16 ARG HB3 H 1 2.091 0.005 . . . . . . . . . . 6551 1 172 . 1 1 16 16 ARG HG2 H 1 1.658 0.011 . . . . . . . . . . 6551 1 173 . 1 1 16 16 ARG HG3 H 1 1.658 0.011 . . . . . . . . . . 6551 1 174 . 1 1 16 16 ARG HD2 H 1 3.120 0.014 . . . . . . . . . . 6551 1 175 . 1 1 16 16 ARG HD3 H 1 3.069 0.006 . . . . . . . . . . 6551 1 176 . 1 1 16 16 ARG CA C 13 57.913 0.250 . . . . . . . . . . 6551 1 177 . 1 1 16 16 ARG CB C 13 29.989 0.286 . . . . . . . . . . 6551 1 178 . 1 1 16 16 ARG CG C 13 27.314 0.250 . . . . . . . . . . 6551 1 179 . 1 1 16 16 ARG CD C 13 42.722 0.250 . . . . . . . . . . 6551 1 180 . 1 1 17 17 VAL H H 1 8.569 0.025 . . . . . . . . . . 6551 1 181 . 1 1 17 17 VAL HA H 1 3.606 0.010 . . . . . . . . . . 6551 1 182 . 1 1 17 17 VAL HB H 1 1.798 0.005 . . . . . . . . . . 6551 1 183 . 1 1 17 17 VAL HG11 H 1 0.670 0.006 . . . . . . . . . . 6551 1 184 . 1 1 17 17 VAL HG12 H 1 0.670 0.006 . . . . . . . . . . 6551 1 185 . 1 1 17 17 VAL HG13 H 1 0.670 0.006 . . . . . . . . . . 6551 1 186 . 1 1 17 17 VAL HG21 H 1 0.412 0.002 . . . . . . . . . . 6551 1 187 . 1 1 17 17 VAL HG22 H 1 0.412 0.002 . . . . . . . . . . 6551 1 188 . 1 1 17 17 VAL HG23 H 1 0.412 0.002 . . . . . . . . . . 6551 1 189 . 1 1 17 17 VAL CA C 13 67.530 0.250 . . . . . . . . . . 6551 1 190 . 1 1 17 17 VAL CB C 13 31.372 0.250 . . . . . . . . . . 6551 1 191 . 1 1 17 17 VAL CG1 C 13 21.759 0.250 . . . . . . . . . . 6551 1 192 . 1 1 17 17 VAL CG2 C 13 23.248 0.250 . . . . . . . . . . 6551 1 193 . 1 1 17 17 VAL N N 15 120.967 0.250 . . . . . . . . . . 6551 1 194 . 1 1 18 18 THR H H 1 8.212 0.025 . . . . . . . . . . 6551 1 195 . 1 1 18 18 THR HA H 1 3.790 0.006 . . . . . . . . . . 6551 1 196 . 1 1 18 18 THR HB H 1 4.377 0.010 . . . . . . . . . . 6551 1 197 . 1 1 18 18 THR HG21 H 1 1.199 0.007 . . . . . . . . . . 6551 1 198 . 1 1 18 18 THR HG22 H 1 1.199 0.007 . . . . . . . . . . 6551 1 199 . 1 1 18 18 THR HG23 H 1 1.199 0.007 . . . . . . . . . . 6551 1 200 . 1 1 18 18 THR CA C 13 67.379 0.250 . . . . . . . . . . 6551 1 201 . 1 1 18 18 THR CB C 13 68.427 0.250 . . . . . . . . . . 6551 1 202 . 1 1 18 18 THR CG2 C 13 21.708 0.250 . . . . . . . . . . 6551 1 203 . 1 1 18 18 THR N N 15 117.395 0.250 . . . . . . . . . . 6551 1 204 . 1 1 19 19 GLU H H 1 8.192 0.025 . . . . . . . . . . 6551 1 205 . 1 1 19 19 GLU HA H 1 3.773 0.011 . . . . . . . . . . 6551 1 206 . 1 1 19 19 GLU HB2 H 1 2.174 0.007 . . . . . . . . . . 6551 1 207 . 1 1 19 19 GLU HB3 H 1 1.947 0.005 . . . . . . . . . . 6551 1 208 . 1 1 19 19 GLU HG2 H 1 2.343 0.001 . . . . . . . . . . 6551 1 209 . 1 1 19 19 GLU HG3 H 1 2.183 0.018 . . . . . . . . . . 6551 1 210 . 1 1 19 19 GLU CA C 13 59.789 0.250 . . . . . . . . . . 6551 1 211 . 1 1 19 19 GLU CB C 13 29.544 0.250 . . . . . . . . . . 6551 1 212 . 1 1 19 19 GLU CG C 13 36.662 0.250 . . . . . . . . . . 6551 1 213 . 1 1 19 19 GLU N N 15 122.544 0.250 . . . . . . . . . . 6551 1 214 . 1 1 20 20 CYS H H 1 7.273 0.025 . . . . . . . . . . 6551 1 215 . 1 1 20 20 CYS HA H 1 3.579 0.011 . . . . . . . . . . 6551 1 216 . 1 1 20 20 CYS HB2 H 1 2.509 0.007 . . . . . . . . . . 6551 1 217 . 1 1 20 20 CYS HB3 H 1 1.346 0.014 . . . . . . . . . . 6551 1 218 . 1 1 20 20 CYS CA C 13 63.423 0.250 . . . . . . . . . . 6551 1 219 . 1 1 20 20 CYS CB C 13 26.063 0.250 . . . . . . . . . . 6551 1 220 . 1 1 20 20 CYS N N 15 114.455 0.250 . . . . . . . . . . 6551 1 221 . 1 1 21 21 LEU H H 1 8.300 0.025 . . . . . . . . . . 6551 1 222 . 1 1 21 21 LEU HA H 1 3.920 0.004 . . . . . . . . . . 6551 1 223 . 1 1 21 21 LEU HB2 H 1 2.001 0.010 . . . . . . . . . . 6551 1 224 . 1 1 21 21 LEU HB3 H 1 1.251 0.015 . . . . . . . . . . 6551 1 225 . 1 1 21 21 LEU HG H 1 1.807 0.013 . . . . . . . . . . 6551 1 226 . 1 1 21 21 LEU HD11 H 1 0.800 0.006 . . . . . . . . . . 6551 1 227 . 1 1 21 21 LEU HD12 H 1 0.800 0.006 . . . . . . . . . . 6551 1 228 . 1 1 21 21 LEU HD13 H 1 0.800 0.006 . . . . . . . . . . 6551 1 229 . 1 1 21 21 LEU HD21 H 1 0.841 0.024 . . . . . . . . . . 6551 1 230 . 1 1 21 21 LEU HD22 H 1 0.841 0.024 . . . . . . . . . . 6551 1 231 . 1 1 21 21 LEU HD23 H 1 0.841 0.024 . . . . . . . . . . 6551 1 232 . 1 1 21 21 LEU CA C 13 58.846 0.250 . . . . . . . . . . 6551 1 233 . 1 1 21 21 LEU CB C 13 41.517 0.250 . . . . . . . . . . 6551 1 234 . 1 1 21 21 LEU CG C 13 27.163 0.250 . . . . . . . . . . 6551 1 235 . 1 1 21 21 LEU CD1 C 13 26.484 0.250 . . . . . . . . . . 6551 1 236 . 1 1 21 21 LEU CD2 C 13 23.277 0.250 . . . . . . . . . . 6551 1 237 . 1 1 21 21 LEU N N 15 120.299 0.250 . . . . . . . . . . 6551 1 238 . 1 1 22 22 THR H H 1 8.005 0.025 . . . . . . . . . . 6551 1 239 . 1 1 22 22 THR HA H 1 4.318 0.006 . . . . . . . . . . 6551 1 240 . 1 1 22 22 THR HB H 1 4.539 0.004 . . . . . . . . . . 6551 1 241 . 1 1 22 22 THR HG21 H 1 1.123 0.004 . . . . . . . . . . 6551 1 242 . 1 1 22 22 THR HG22 H 1 1.123 0.004 . . . . . . . . . . 6551 1 243 . 1 1 22 22 THR HG23 H 1 1.123 0.004 . . . . . . . . . . 6551 1 244 . 1 1 22 22 THR CA C 13 63.034 0.250 . . . . . . . . . . 6551 1 245 . 1 1 22 22 THR CB C 13 69.294 0.250 . . . . . . . . . . 6551 1 246 . 1 1 22 22 THR CG2 C 13 20.903 0.250 . . . . . . . . . . 6551 1 247 . 1 1 22 22 THR N N 15 102.695 0.250 . . . . . . . . . . 6551 1 248 . 1 1 23 23 THR H H 1 7.389 0.025 . . . . . . . . . . 6551 1 249 . 1 1 23 23 THR HA H 1 4.157 0.010 . . . . . . . . . . 6551 1 250 . 1 1 23 23 THR HB H 1 4.245 0.012 . . . . . . . . . . 6551 1 251 . 1 1 23 23 THR HG21 H 1 1.361 0.002 . . . . . . . . . . 6551 1 252 . 1 1 23 23 THR HG22 H 1 1.361 0.002 . . . . . . . . . . 6551 1 253 . 1 1 23 23 THR HG23 H 1 1.361 0.002 . . . . . . . . . . 6551 1 254 . 1 1 23 23 THR CA C 13 64.550 0.250 . . . . . . . . . . 6551 1 255 . 1 1 23 23 THR CB C 13 70.308 0.250 . . . . . . . . . . 6551 1 256 . 1 1 23 23 THR CG2 C 13 21.388 0.250 . . . . . . . . . . 6551 1 257 . 1 1 23 23 THR N N 15 112.151 0.250 . . . . . . . . . . 6551 1 258 . 1 1 24 24 VAL H H 1 7.526 0.025 . . . . . . . . . . 6551 1 259 . 1 1 24 24 VAL HA H 1 3.856 0.010 . . . . . . . . . . 6551 1 260 . 1 1 24 24 VAL HB H 1 2.329 0.017 . . . . . . . . . . 6551 1 261 . 1 1 24 24 VAL HG11 H 1 1.123 0.002 . . . . . . . . . . 6551 1 262 . 1 1 24 24 VAL HG12 H 1 1.123 0.002 . . . . . . . . . . 6551 1 263 . 1 1 24 24 VAL HG13 H 1 1.123 0.002 . . . . . . . . . . 6551 1 264 . 1 1 24 24 VAL HG21 H 1 0.820 0.006 . . . . . . . . . . 6551 1 265 . 1 1 24 24 VAL HG22 H 1 0.820 0.006 . . . . . . . . . . 6551 1 266 . 1 1 24 24 VAL HG23 H 1 0.820 0.006 . . . . . . . . . . 6551 1 267 . 1 1 24 24 VAL CA C 13 62.599 0.250 . . . . . . . . . . 6551 1 268 . 1 1 24 24 VAL CB C 13 30.440 0.250 . . . . . . . . . . 6551 1 269 . 1 1 24 24 VAL CG1 C 13 22.136 0.250 . . . . . . . . . . 6551 1 270 . 1 1 24 24 VAL CG2 C 13 22.023 0.250 . . . . . . . . . . 6551 1 271 . 1 1 24 24 VAL N N 15 124.339 0.250 . . . . . . . . . . 6551 1 272 . 1 1 25 25 LYS H H 1 8.386 0.025 . . . . . . . . . . 6551 1 273 . 1 1 25 25 LYS HA H 1 3.958 0.004 . . . . . . . . . . 6551 1 274 . 1 1 25 25 LYS HB2 H 1 1.830 0.015 . . . . . . . . . . 6551 1 275 . 1 1 25 25 LYS HB3 H 1 1.661 0.004 . . . . . . . . . . 6551 1 276 . 1 1 25 25 LYS HG2 H 1 1.490 0.021 . . . . . . . . . . 6551 1 277 . 1 1 25 25 LYS HG3 H 1 1.414 0.012 . . . . . . . . . . 6551 1 278 . 1 1 25 25 LYS HE2 H 1 2.950 0.021 . . . . . . . . . . 6551 1 279 . 1 1 25 25 LYS HE3 H 1 2.950 0.021 . . . . . . . . . . 6551 1 280 . 1 1 25 25 LYS CA C 13 58.712 0.250 . . . . . . . . . . 6551 1 281 . 1 1 25 25 LYS CB C 13 32.332 0.250 . . . . . . . . . . 6551 1 282 . 1 1 25 25 LYS CG C 13 24.704 0.250 . . . . . . . . . . 6551 1 283 . 1 1 25 25 LYS CD C 13 29.215 0.250 . . . . . . . . . . 6551 1 284 . 1 1 25 25 LYS CE C 13 42.178 0.250 . . . . . . . . . . 6551 1 285 . 1 1 25 25 LYS N N 15 128.406 0.250 . . . . . . . . . . 6551 1 286 . 1 1 26 26 SER H H 1 8.670 0.025 . . . . . . . . . . 6551 1 287 . 1 1 26 26 SER HA H 1 4.017 0.006 . . . . . . . . . . 6551 1 288 . 1 1 26 26 SER HB2 H 1 3.885 0.005 . . . . . . . . . . 6551 1 289 . 1 1 26 26 SER HB3 H 1 3.885 0.005 . . . . . . . . . . 6551 1 290 . 1 1 26 26 SER CA C 13 61.800 0.250 . . . . . . . . . . 6551 1 291 . 1 1 26 26 SER CB C 13 63.734 0.264 . . . . . . . . . . 6551 1 292 . 1 1 26 26 SER N N 15 119.112 0.250 . . . . . . . . . . 6551 1 293 . 1 1 27 27 VAL H H 1 8.209 0.025 . . . . . . . . . . 6551 1 294 . 1 1 27 27 VAL HA H 1 4.176 0.009 . . . . . . . . . . 6551 1 295 . 1 1 27 27 VAL HB H 1 2.451 0.007 . . . . . . . . . . 6551 1 296 . 1 1 27 27 VAL HG11 H 1 0.722 0.009 . . . . . . . . . . 6551 1 297 . 1 1 27 27 VAL HG12 H 1 0.722 0.009 . . . . . . . . . . 6551 1 298 . 1 1 27 27 VAL HG13 H 1 0.722 0.009 . . . . . . . . . . 6551 1 299 . 1 1 27 27 VAL HG21 H 1 0.706 0.010 . . . . . . . . . . 6551 1 300 . 1 1 27 27 VAL HG22 H 1 0.706 0.010 . . . . . . . . . . 6551 1 301 . 1 1 27 27 VAL HG23 H 1 0.706 0.010 . . . . . . . . . . 6551 1 302 . 1 1 27 27 VAL CA C 13 63.569 0.250 . . . . . . . . . . 6551 1 303 . 1 1 27 27 VAL CB C 13 30.566 0.250 . . . . . . . . . . 6551 1 304 . 1 1 27 27 VAL CG1 C 13 21.742 0.250 . . . . . . . . . . 6551 1 305 . 1 1 27 27 VAL CG2 C 13 22.355 0.250 . . . . . . . . . . 6551 1 306 . 1 1 27 27 VAL N N 15 126.166 0.250 . . . . . . . . . . 6551 1 307 . 1 1 28 28 ASN H H 1 9.046 0.025 . . . . . . . . . . 6551 1 308 . 1 1 28 28 ASN HA H 1 5.095 0.008 . . . . . . . . . . 6551 1 309 . 1 1 28 28 ASN HB2 H 1 3.330 0.032 . . . . . . . . . . 6551 1 310 . 1 1 28 28 ASN HB3 H 1 2.689 0.005 . . . . . . . . . . 6551 1 311 . 1 1 28 28 ASN HD21 H 1 7.577 0.025 . . . . . . . . . . 6551 1 312 . 1 1 28 28 ASN HD22 H 1 6.889 0.025 . . . . . . . . . . 6551 1 313 . 1 1 28 28 ASN CA C 13 51.279 0.250 . . . . . . . . . . 6551 1 314 . 1 1 28 28 ASN CB C 13 40.965 0.250 . . . . . . . . . . 6551 1 315 . 1 1 28 28 ASN N N 15 126.521 0.250 . . . . . . . . . . 6551 1 316 . 1 1 28 28 ASN ND2 N 15 112.925 0.250 . . . . . . . . . . 6551 1 317 . 1 1 29 29 LYS H H 1 8.541 0.025 . . . . . . . . . . 6551 1 318 . 1 1 29 29 LYS HA H 1 3.792 0.009 . . . . . . . . . . 6551 1 319 . 1 1 29 29 LYS HB2 H 1 1.878 0.010 . . . . . . . . . . 6551 1 320 . 1 1 29 29 LYS HB3 H 1 1.831 0.015 . . . . . . . . . . 6551 1 321 . 1 1 29 29 LYS HG2 H 1 1.529 0.008 . . . . . . . . . . 6551 1 322 . 1 1 29 29 LYS HG3 H 1 1.285 0.005 . . . . . . . . . . 6551 1 323 . 1 1 29 29 LYS HD2 H 1 1.651 0.003 . . . . . . . . . . 6551 1 324 . 1 1 29 29 LYS HD3 H 1 1.651 0.003 . . . . . . . . . . 6551 1 325 . 1 1 29 29 LYS HE2 H 1 2.923 0.001 . . . . . . . . . . 6551 1 326 . 1 1 29 29 LYS HE3 H 1 2.923 0.001 . . . . . . . . . . 6551 1 327 . 1 1 29 29 LYS CA C 13 60.580 0.250 . . . . . . . . . . 6551 1 328 . 1 1 29 29 LYS CB C 13 32.157 0.250 . . . . . . . . . . 6551 1 329 . 1 1 29 29 LYS CG C 13 25.426 0.250 . . . . . . . . . . 6551 1 330 . 1 1 29 29 LYS CD C 13 29.444 0.250 . . . . . . . . . . 6551 1 331 . 1 1 29 29 LYS CE C 13 42.192 0.250 . . . . . . . . . . 6551 1 332 . 1 1 30 30 THR H H 1 8.033 0.025 . . . . . . . . . . 6551 1 333 . 1 1 30 30 THR HA H 1 3.949 0.005 . . . . . . . . . . 6551 1 334 . 1 1 30 30 THR HB H 1 4.226 0.007 . . . . . . . . . . 6551 1 335 . 1 1 30 30 THR HG21 H 1 1.191 0.006 . . . . . . . . . . 6551 1 336 . 1 1 30 30 THR HG22 H 1 1.191 0.006 . . . . . . . . . . 6551 1 337 . 1 1 30 30 THR HG23 H 1 1.191 0.006 . . . . . . . . . . 6551 1 338 . 1 1 30 30 THR CA C 13 66.586 0.250 . . . . . . . . . . 6551 1 339 . 1 1 30 30 THR CB C 13 68.086 0.250 . . . . . . . . . . 6551 1 340 . 1 1 30 30 THR CG2 C 13 21.900 0.250 . . . . . . . . . . 6551 1 341 . 1 1 30 30 THR N N 15 119.348 0.250 . . . . . . . . . . 6551 1 342 . 1 1 31 31 ASP H H 1 8.607 0.025 . . . . . . . . . . 6551 1 343 . 1 1 31 31 ASP HA H 1 4.278 0.006 . . . . . . . . . . 6551 1 344 . 1 1 31 31 ASP HB2 H 1 3.009 0.017 . . . . . . . . . . 6551 1 345 . 1 1 31 31 ASP HB3 H 1 2.298 0.009 . . . . . . . . . . 6551 1 346 . 1 1 31 31 ASP CA C 13 57.041 0.250 . . . . . . . . . . 6551 1 347 . 1 1 31 31 ASP CB C 13 41.441 0.250 . . . . . . . . . . 6551 1 348 . 1 1 31 31 ASP N N 15 124.007 0.250 . . . . . . . . . . 6551 1 349 . 1 1 32 32 SER H H 1 8.072 0.025 . . . . . . . . . . 6551 1 350 . 1 1 32 32 SER HA H 1 3.922 0.001 . . . . . . . . . . 6551 1 351 . 1 1 32 32 SER HB2 H 1 3.714 0.003 . . . . . . . . . . 6551 1 352 . 1 1 32 32 SER HB3 H 1 3.714 0.003 . . . . . . . . . . 6551 1 353 . 1 1 32 32 SER CA C 13 62.785 0.250 . . . . . . . . . . 6551 1 354 . 1 1 32 32 SER CB C 13 63.109 0.250 . . . . . . . . . . 6551 1 355 . 1 1 32 32 SER N N 15 113.425 0.250 . . . . . . . . . . 6551 1 356 . 1 1 33 33 GLN H H 1 7.594 0.025 . . . . . . . . . . 6551 1 357 . 1 1 33 33 GLN HA H 1 3.820 0.024 . . . . . . . . . . 6551 1 358 . 1 1 33 33 GLN HB2 H 1 2.194 0.001 . . . . . . . . . . 6551 1 359 . 1 1 33 33 GLN HB3 H 1 2.153 0.020 . . . . . . . . . . 6551 1 360 . 1 1 33 33 GLN HG2 H 1 2.391 0.012 . . . . . . . . . . 6551 1 361 . 1 1 33 33 GLN HG3 H 1 2.276 0.014 . . . . . . . . . . 6551 1 362 . 1 1 33 33 GLN HE21 H 1 7.219 0.025 . . . . . . . . . . 6551 1 363 . 1 1 33 33 GLN HE22 H 1 6.579 0.025 . . . . . . . . . . 6551 1 364 . 1 1 33 33 GLN CA C 13 59.312 0.250 . . . . . . . . . . 6551 1 365 . 1 1 33 33 GLN CB C 13 28.014 0.250 . . . . . . . . . . 6551 1 366 . 1 1 33 33 GLN CG C 13 34.018 0.250 . . . . . . . . . . 6551 1 367 . 1 1 33 33 GLN N N 15 120.047 0.250 . . . . . . . . . . 6551 1 368 . 1 1 33 33 GLN NE2 N 15 109.946 0.250 . . . . . . . . . . 6551 1 369 . 1 1 34 34 THR H H 1 8.452 0.025 . . . . . . . . . . 6551 1 370 . 1 1 34 34 THR HA H 1 3.889 0.011 . . . . . . . . . . 6551 1 371 . 1 1 34 34 THR HB H 1 4.324 0.003 . . . . . . . . . . 6551 1 372 . 1 1 34 34 THR HG21 H 1 1.269 0.002 . . . . . . . . . . 6551 1 373 . 1 1 34 34 THR HG22 H 1 1.269 0.002 . . . . . . . . . . 6551 1 374 . 1 1 34 34 THR HG23 H 1 1.269 0.002 . . . . . . . . . . 6551 1 375 . 1 1 34 34 THR CA C 13 66.279 0.250 . . . . . . . . . . 6551 1 376 . 1 1 34 34 THR CB C 13 68.305 0.250 . . . . . . . . . . 6551 1 377 . 1 1 34 34 THR CG2 C 13 22.342 0.250 . . . . . . . . . . 6551 1 378 . 1 1 34 34 THR N N 15 118.422 0.250 . . . . . . . . . . 6551 1 379 . 1 1 35 35 LEU H H 1 8.761 0.025 . . . . . . . . . . 6551 1 380 . 1 1 35 35 LEU HA H 1 4.173 0.006 . . . . . . . . . . 6551 1 381 . 1 1 35 35 LEU HB2 H 1 2.103 0.015 . . . . . . . . . . 6551 1 382 . 1 1 35 35 LEU HB3 H 1 1.315 0.013 . . . . . . . . . . 6551 1 383 . 1 1 35 35 LEU HG H 1 1.917 0.002 . . . . . . . . . . 6551 1 384 . 1 1 35 35 LEU HD11 H 1 0.788 0.010 . . . . . . . . . . 6551 1 385 . 1 1 35 35 LEU HD12 H 1 0.788 0.010 . . . . . . . . . . 6551 1 386 . 1 1 35 35 LEU HD13 H 1 0.788 0.010 . . . . . . . . . . 6551 1 387 . 1 1 35 35 LEU HD21 H 1 1.052 0.011 . . . . . . . . . . 6551 1 388 . 1 1 35 35 LEU HD22 H 1 1.052 0.011 . . . . . . . . . . 6551 1 389 . 1 1 35 35 LEU HD23 H 1 1.052 0.011 . . . . . . . . . . 6551 1 390 . 1 1 35 35 LEU CA C 13 58.909 0.250 . . . . . . . . . . 6551 1 391 . 1 1 35 35 LEU CB C 13 42.144 0.250 . . . . . . . . . . 6551 1 392 . 1 1 35 35 LEU CG C 13 27.358 0.250 . . . . . . . . . . 6551 1 393 . 1 1 35 35 LEU CD1 C 13 26.625 0.250 . . . . . . . . . . 6551 1 394 . 1 1 35 35 LEU CD2 C 13 24.531 0.250 . . . . . . . . . . 6551 1 395 . 1 1 35 35 LEU N N 15 125.336 0.250 . . . . . . . . . . 6551 1 396 . 1 1 36 36 LEU H H 1 8.133 0.025 . . . . . . . . . . 6551 1 397 . 1 1 36 36 LEU HA H 1 3.988 0.007 . . . . . . . . . . 6551 1 398 . 1 1 36 36 LEU HB2 H 1 1.502 0.003 . . . . . . . . . . 6551 1 399 . 1 1 36 36 LEU HB3 H 1 1.327 0.004 . . . . . . . . . . 6551 1 400 . 1 1 36 36 LEU HG H 1 1.448 0.007 . . . . . . . . . . 6551 1 401 . 1 1 36 36 LEU HD11 H 1 0.526 0.013 . . . . . . . . . . 6551 1 402 . 1 1 36 36 LEU HD12 H 1 0.526 0.013 . . . . . . . . . . 6551 1 403 . 1 1 36 36 LEU HD13 H 1 0.526 0.013 . . . . . . . . . . 6551 1 404 . 1 1 36 36 LEU HD21 H 1 0.631 0.013 . . . . . . . . . . 6551 1 405 . 1 1 36 36 LEU HD22 H 1 0.631 0.013 . . . . . . . . . . 6551 1 406 . 1 1 36 36 LEU HD23 H 1 0.631 0.013 . . . . . . . . . . 6551 1 407 . 1 1 36 36 LEU CA C 13 57.760 0.250 . . . . . . . . . . 6551 1 408 . 1 1 36 36 LEU CB C 13 41.762 0.250 . . . . . . . . . . 6551 1 409 . 1 1 36 36 LEU CG C 13 27.066 0.250 . . . . . . . . . . 6551 1 410 . 1 1 36 36 LEU CD1 C 13 23.777 0.250 . . . . . . . . . . 6551 1 411 . 1 1 36 36 LEU CD2 C 13 24.073 0.256 . . . . . . . . . . 6551 1 412 . 1 1 36 36 LEU N N 15 119.609 0.250 . . . . . . . . . . 6551 1 413 . 1 1 37 37 THR H H 1 8.119 0.025 . . . . . . . . . . 6551 1 414 . 1 1 37 37 THR HA H 1 3.967 0.005 . . . . . . . . . . 6551 1 415 . 1 1 37 37 THR HB H 1 4.232 0.002 . . . . . . . . . . 6551 1 416 . 1 1 37 37 THR HG21 H 1 1.156 0.017 . . . . . . . . . . 6551 1 417 . 1 1 37 37 THR HG22 H 1 1.156 0.017 . . . . . . . . . . 6551 1 418 . 1 1 37 37 THR HG23 H 1 1.156 0.017 . . . . . . . . . . 6551 1 419 . 1 1 37 37 THR CA C 13 65.407 0.250 . . . . . . . . . . 6551 1 420 . 1 1 37 37 THR CB C 13 69.128 0.250 . . . . . . . . . . 6551 1 421 . 1 1 37 37 THR CG2 C 13 21.768 0.250 . . . . . . . . . . 6551 1 422 . 1 1 37 37 THR N N 15 111.835 0.250 . . . . . . . . . . 6551 1 423 . 1 1 38 38 THR H H 1 7.829 0.025 . . . . . . . . . . 6551 1 424 . 1 1 38 38 THR HA H 1 3.822 0.011 . . . . . . . . . . 6551 1 425 . 1 1 38 38 THR HB H 1 3.856 0.011 . . . . . . . . . . 6551 1 426 . 1 1 38 38 THR HG21 H 1 0.440 0.003 . . . . . . . . . . 6551 1 427 . 1 1 38 38 THR HG22 H 1 0.440 0.003 . . . . . . . . . . 6551 1 428 . 1 1 38 38 THR HG23 H 1 0.440 0.003 . . . . . . . . . . 6551 1 429 . 1 1 38 38 THR CA C 13 66.494 0.250 . . . . . . . . . . 6551 1 430 . 1 1 38 38 THR CB C 13 69.313 0.250 . . . . . . . . . . 6551 1 431 . 1 1 38 38 THR CG2 C 13 20.434 0.250 . . . . . . . . . . 6551 1 432 . 1 1 38 38 THR N N 15 117.126 0.250 . . . . . . . . . . 6551 1 433 . 1 1 39 39 PHE H H 1 8.154 0.025 . . . . . . . . . . 6551 1 434 . 1 1 39 39 PHE HA H 1 4.506 0.006 . . . . . . . . . . 6551 1 435 . 1 1 39 39 PHE HB2 H 1 3.063 0.014 . . . . . . . . . . 6551 1 436 . 1 1 39 39 PHE HB3 H 1 2.764 0.015 . . . . . . . . . . 6551 1 437 . 1 1 39 39 PHE HD1 H 1 7.388 0.019 . . . . . . . . . . 6551 1 438 . 1 1 39 39 PHE HD2 H 1 7.388 0.019 . . . . . . . . . . 6551 1 439 . 1 1 39 39 PHE HE1 H 1 7.267 0.016 . . . . . . . . . . 6551 1 440 . 1 1 39 39 PHE HE2 H 1 7.267 0.016 . . . . . . . . . . 6551 1 441 . 1 1 39 39 PHE HZ H 1 6.925 0.015 . . . . . . . . . . 6551 1 442 . 1 1 39 39 PHE CA C 13 59.938 0.250 . . . . . . . . . . 6551 1 443 . 1 1 39 39 PHE CB C 13 40.503 0.250 . . . . . . . . . . 6551 1 444 . 1 1 39 39 PHE CD1 C 13 131.814 0.326 . . . . . . . . . . 6551 1 445 . 1 1 39 39 PHE CD2 C 13 131.814 0.326 . . . . . . . . . . 6551 1 446 . 1 1 39 39 PHE CE1 C 13 131.555 0.250 . . . . . . . . . . 6551 1 447 . 1 1 39 39 PHE CE2 C 13 131.555 0.250 . . . . . . . . . . 6551 1 448 . 1 1 39 39 PHE CZ C 13 129.332 0.332 . . . . . . . . . . 6551 1 449 . 1 1 39 39 PHE N N 15 117.008 0.250 . . . . . . . . . . 6551 1 450 . 1 1 40 40 GLY H H 1 8.284 0.025 . . . . . . . . . . 6551 1 451 . 1 1 40 40 GLY HA2 H 1 4.319 0.007 . . . . . . . . . . 6551 1 452 . 1 1 40 40 GLY HA3 H 1 4.022 0.008 . . . . . . . . . . 6551 1 453 . 1 1 40 40 GLY CA C 13 47.659 0.250 . . . . . . . . . . 6551 1 454 . 1 1 40 40 GLY N N 15 108.960 0.250 . . . . . . . . . . 6551 1 455 . 1 1 41 41 SER H H 1 7.604 0.025 . . . . . . . . . . 6551 1 456 . 1 1 41 41 SER HA H 1 4.468 0.016 . . . . . . . . . . 6551 1 457 . 1 1 41 41 SER HB2 H 1 3.812 0.015 . . . . . . . . . . 6551 1 458 . 1 1 41 41 SER HB3 H 1 3.812 0.015 . . . . . . . . . . 6551 1 459 . 1 1 41 41 SER CA C 13 55.762 0.250 . . . . . . . . . . 6551 1 460 . 1 1 41 41 SER CB C 13 66.903 0.250 . . . . . . . . . . 6551 1 461 . 1 1 41 41 SER N N 15 111.236 0.250 . . . . . . . . . . 6551 1 462 . 1 1 42 42 LEU H H 1 10.500 0.025 . . . . . . . . . . 6551 1 463 . 1 1 42 42 LEU HA H 1 4.027 0.016 . . . . . . . . . . 6551 1 464 . 1 1 42 42 LEU HB2 H 1 1.599 0.010 . . . . . . . . . . 6551 1 465 . 1 1 42 42 LEU HB3 H 1 1.522 0.003 . . . . . . . . . . 6551 1 466 . 1 1 42 42 LEU HG H 1 1.577 0.013 . . . . . . . . . . 6551 1 467 . 1 1 42 42 LEU HD11 H 1 0.737 0.006 . . . . . . . . . . 6551 1 468 . 1 1 42 42 LEU HD12 H 1 0.737 0.006 . . . . . . . . . . 6551 1 469 . 1 1 42 42 LEU HD13 H 1 0.737 0.006 . . . . . . . . . . 6551 1 470 . 1 1 42 42 LEU HD21 H 1 0.797 0.002 . . . . . . . . . . 6551 1 471 . 1 1 42 42 LEU HD22 H 1 0.797 0.002 . . . . . . . . . . 6551 1 472 . 1 1 42 42 LEU HD23 H 1 0.797 0.002 . . . . . . . . . . 6551 1 473 . 1 1 42 42 LEU CA C 13 57.690 0.250 . . . . . . . . . . 6551 1 474 . 1 1 42 42 LEU CB C 13 40.924 0.250 . . . . . . . . . . 6551 1 475 . 1 1 42 42 LEU CG C 13 27.568 0.250 . . . . . . . . . . 6551 1 476 . 1 1 42 42 LEU CD1 C 13 25.279 0.250 . . . . . . . . . . 6551 1 477 . 1 1 42 42 LEU CD2 C 13 25.452 0.250 . . . . . . . . . . 6551 1 478 . 1 1 42 42 LEU N N 15 124.019 0.250 . . . . . . . . . . 6551 1 479 . 1 1 43 43 GLU H H 1 7.842 0.025 . . . . . . . . . . 6551 1 480 . 1 1 43 43 GLU HA H 1 3.393 0.010 . . . . . . . . . . 6551 1 481 . 1 1 43 43 GLU HB2 H 1 1.981 0.015 . . . . . . . . . . 6551 1 482 . 1 1 43 43 GLU HB3 H 1 1.747 0.015 . . . . . . . . . . 6551 1 483 . 1 1 43 43 GLU HG2 H 1 2.199 0.001 . . . . . . . . . . 6551 1 484 . 1 1 43 43 GLU HG3 H 1 2.008 0.004 . . . . . . . . . . 6551 1 485 . 1 1 43 43 GLU CA C 13 60.149 0.250 . . . . . . . . . . 6551 1 486 . 1 1 43 43 GLU CB C 13 29.960 0.250 . . . . . . . . . . 6551 1 487 . 1 1 43 43 GLU CG C 13 35.620 0.250 . . . . . . . . . . 6551 1 488 . 1 1 43 43 GLU N N 15 118.065 0.250 . . . . . . . . . . 6551 1 489 . 1 1 44 44 GLN H H 1 7.788 0.025 . . . . . . . . . . 6551 1 490 . 1 1 44 44 GLN HA H 1 4.066 0.013 . . . . . . . . . . 6551 1 491 . 1 1 44 44 GLN HB2 H 1 2.373 0.007 . . . . . . . . . . 6551 1 492 . 1 1 44 44 GLN HB3 H 1 2.264 0.008 . . . . . . . . . . 6551 1 493 . 1 1 44 44 GLN HG2 H 1 2.570 0.010 . . . . . . . . . . 6551 1 494 . 1 1 44 44 GLN HG3 H 1 2.431 0.006 . . . . . . . . . . 6551 1 495 . 1 1 44 44 GLN HE21 H 1 7.842 0.025 . . . . . . . . . . 6551 1 496 . 1 1 44 44 GLN HE22 H 1 6.917 0.025 . . . . . . . . . . 6551 1 497 . 1 1 44 44 GLN CA C 13 58.211 0.250 . . . . . . . . . . 6551 1 498 . 1 1 44 44 GLN CB C 13 29.274 0.250 . . . . . . . . . . 6551 1 499 . 1 1 44 44 GLN CG C 13 34.875 0.250 . . . . . . . . . . 6551 1 500 . 1 1 44 44 GLN N N 15 117.336 0.250 . . . . . . . . . . 6551 1 501 . 1 1 44 44 GLN NE2 N 15 113.983 0.250 . . . . . . . . . . 6551 1 502 . 1 1 45 45 LEU H H 1 7.773 0.025 . . . . . . . . . . 6551 1 503 . 1 1 45 45 LEU HA H 1 3.229 0.009 . . . . . . . . . . 6551 1 504 . 1 1 45 45 LEU HB2 H 1 1.643 0.012 . . . . . . . . . . 6551 1 505 . 1 1 45 45 LEU HB3 H 1 1.480 0.008 . . . . . . . . . . 6551 1 506 . 1 1 45 45 LEU HG H 1 1.369 0.015 . . . . . . . . . . 6551 1 507 . 1 1 45 45 LEU CA C 13 58.221 0.250 . . . . . . . . . . 6551 1 508 . 1 1 45 45 LEU CB C 13 42.498 0.250 . . . . . . . . . . 6551 1 509 . 1 1 45 45 LEU CG C 13 27.177 0.262 . . . . . . . . . . 6551 1 510 . 1 1 45 45 LEU CD1 C 13 26.544 0.250 . . . . . . . . . . 6551 1 511 . 1 1 45 45 LEU CD2 C 13 26.544 0.250 . . . . . . . . . . 6551 1 512 . 1 1 45 45 LEU N N 15 122.661 0.250 . . . . . . . . . . 6551 1 513 . 1 1 45 45 LEU HD11 H 1 0.630 0.007 . . . . . . . . . . 6551 1 514 . 1 1 45 45 LEU HD12 H 1 0.630 0.007 . . . . . . . . . . 6551 1 515 . 1 1 45 45 LEU HD13 H 1 0.630 0.007 . . . . . . . . . . 6551 1 516 . 1 1 45 45 LEU HD21 H 1 0.630 0.007 . . . . . . . . . . 6551 1 517 . 1 1 45 45 LEU HD22 H 1 0.630 0.007 . . . . . . . . . . 6551 1 518 . 1 1 45 45 LEU HD23 H 1 0.630 0.007 . . . . . . . . . . 6551 1 519 . 1 1 46 46 ILE H H 1 8.270 0.025 . . . . . . . . . . 6551 1 520 . 1 1 46 46 ILE HA H 1 3.248 0.007 . . . . . . . . . . 6551 1 521 . 1 1 46 46 ILE HB H 1 1.664 0.010 . . . . . . . . . . 6551 1 522 . 1 1 46 46 ILE HG12 H 1 1.651 0.015 . . . . . . . . . . 6551 1 523 . 1 1 46 46 ILE HG13 H 1 0.548 0.010 . . . . . . . . . . 6551 1 524 . 1 1 46 46 ILE HG21 H 1 0.538 0.006 . . . . . . . . . . 6551 1 525 . 1 1 46 46 ILE HG22 H 1 0.538 0.006 . . . . . . . . . . 6551 1 526 . 1 1 46 46 ILE HG23 H 1 0.538 0.006 . . . . . . . . . . 6551 1 527 . 1 1 46 46 ILE HD11 H 1 0.671 0.003 . . . . . . . . . . 6551 1 528 . 1 1 46 46 ILE HD12 H 1 0.671 0.003 . . . . . . . . . . 6551 1 529 . 1 1 46 46 ILE HD13 H 1 0.671 0.003 . . . . . . . . . . 6551 1 530 . 1 1 46 46 ILE CA C 13 64.667 0.250 . . . . . . . . . . 6551 1 531 . 1 1 46 46 ILE CB C 13 38.154 0.250 . . . . . . . . . . 6551 1 532 . 1 1 46 46 ILE CG1 C 13 31.279 0.250 . . . . . . . . . . 6551 1 533 . 1 1 46 46 ILE CG2 C 13 14.536 0.250 . . . . . . . . . . 6551 1 534 . 1 1 46 46 ILE CD1 C 13 18.264 0.250 . . . . . . . . . . 6551 1 535 . 1 1 46 46 ILE N N 15 117.626 0.250 . . . . . . . . . . 6551 1 536 . 1 1 47 47 ALA H H 1 7.014 0.025 . . . . . . . . . . 6551 1 537 . 1 1 47 47 ALA HA H 1 4.183 0.004 . . . . . . . . . . 6551 1 538 . 1 1 47 47 ALA HB1 H 1 1.423 0.005 . . . . . . . . . . 6551 1 539 . 1 1 47 47 ALA HB2 H 1 1.423 0.005 . . . . . . . . . . 6551 1 540 . 1 1 47 47 ALA HB3 H 1 1.423 0.005 . . . . . . . . . . 6551 1 541 . 1 1 47 47 ALA CA C 13 52.363 0.250 . . . . . . . . . . 6551 1 542 . 1 1 47 47 ALA CB C 13 19.112 0.250 . . . . . . . . . . 6551 1 543 . 1 1 47 47 ALA N N 15 117.927 0.250 . . . . . . . . . . 6551 1 544 . 1 1 48 48 ALA H H 1 7.028 0.025 . . . . . . . . . . 6551 1 545 . 1 1 48 48 ALA HA H 1 4.293 0.014 . . . . . . . . . . 6551 1 546 . 1 1 48 48 ALA HB1 H 1 1.268 0.002 . . . . . . . . . . 6551 1 547 . 1 1 48 48 ALA HB2 H 1 1.268 0.002 . . . . . . . . . . 6551 1 548 . 1 1 48 48 ALA HB3 H 1 1.268 0.002 . . . . . . . . . . 6551 1 549 . 1 1 48 48 ALA CA C 13 52.420 0.250 . . . . . . . . . . 6551 1 550 . 1 1 48 48 ALA CB C 13 19.854 0.250 . . . . . . . . . . 6551 1 551 . 1 1 48 48 ALA N N 15 122.138 0.250 . . . . . . . . . . 6551 1 552 . 1 1 49 49 SER H H 1 9.024 0.025 . . . . . . . . . . 6551 1 553 . 1 1 49 49 SER HA H 1 4.500 0.010 . . . . . . . . . . 6551 1 554 . 1 1 49 49 SER HB2 H 1 4.264 0.015 . . . . . . . . . . 6551 1 555 . 1 1 49 49 SER HB3 H 1 4.030 0.009 . . . . . . . . . . 6551 1 556 . 1 1 49 49 SER CA C 13 56.915 0.254 . . . . . . . . . . 6551 1 557 . 1 1 49 49 SER CB C 13 65.448 0.250 . . . . . . . . . . 6551 1 558 . 1 1 49 49 SER N N 15 117.806 0.250 . . . . . . . . . . 6551 1 559 . 1 1 50 50 ARG H H 1 8.370 0.025 . . . . . . . . . . 6551 1 560 . 1 1 50 50 ARG HA H 1 3.433 0.010 . . . . . . . . . . 6551 1 561 . 1 1 50 50 ARG HB2 H 1 1.244 0.003 . . . . . . . . . . 6551 1 562 . 1 1 50 50 ARG HB3 H 1 0.796 0.008 . . . . . . . . . . 6551 1 563 . 1 1 50 50 ARG HG2 H 1 0.944 0.004 . . . . . . . . . . 6551 1 564 . 1 1 50 50 ARG HG3 H 1 0.754 0.004 . . . . . . . . . . 6551 1 565 . 1 1 50 50 ARG HD2 H 1 2.811 0.010 . . . . . . . . . . 6551 1 566 . 1 1 50 50 ARG HD3 H 1 2.769 0.006 . . . . . . . . . . 6551 1 567 . 1 1 50 50 ARG CA C 13 60.272 0.250 . . . . . . . . . . 6551 1 568 . 1 1 50 50 ARG CB C 13 29.567 0.250 . . . . . . . . . . 6551 1 569 . 1 1 50 50 ARG CG C 13 27.029 0.250 . . . . . . . . . . 6551 1 570 . 1 1 50 50 ARG CD C 13 43.261 0.250 . . . . . . . . . . 6551 1 571 . 1 1 50 50 ARG N N 15 120.957 0.250 . . . . . . . . . . 6551 1 572 . 1 1 51 51 GLU H H 1 8.283 0.025 . . . . . . . . . . 6551 1 573 . 1 1 51 51 GLU HA H 1 3.794 0.010 . . . . . . . . . . 6551 1 574 . 1 1 51 51 GLU HB2 H 1 1.896 0.004 . . . . . . . . . . 6551 1 575 . 1 1 51 51 GLU HB3 H 1 1.814 0.009 . . . . . . . . . . 6551 1 576 . 1 1 51 51 GLU HG2 H 1 2.324 0.010 . . . . . . . . . . 6551 1 577 . 1 1 51 51 GLU HG3 H 1 2.094 0.008 . . . . . . . . . . 6551 1 578 . 1 1 51 51 GLU CA C 13 60.126 0.250 . . . . . . . . . . 6551 1 579 . 1 1 51 51 GLU CB C 13 28.885 0.250 . . . . . . . . . . 6551 1 580 . 1 1 51 51 GLU CG C 13 37.217 0.250 . . . . . . . . . . 6551 1 581 . 1 1 51 51 GLU N N 15 117.613 0.250 . . . . . . . . . . 6551 1 582 . 1 1 52 52 ASP H H 1 7.883 0.025 . . . . . . . . . . 6551 1 583 . 1 1 52 52 ASP HA H 1 4.373 0.006 . . . . . . . . . . 6551 1 584 . 1 1 52 52 ASP HB2 H 1 3.074 0.025 . . . . . . . . . . 6551 1 585 . 1 1 52 52 ASP HB3 H 1 2.686 0.011 . . . . . . . . . . 6551 1 586 . 1 1 52 52 ASP CA C 13 57.256 0.250 . . . . . . . . . . 6551 1 587 . 1 1 52 52 ASP CB C 13 40.851 0.250 . . . . . . . . . . 6551 1 588 . 1 1 52 52 ASP N N 15 119.918 0.250 . . . . . . . . . . 6551 1 589 . 1 1 53 53 LEU H H 1 7.980 0.025 . . . . . . . . . . 6551 1 590 . 1 1 53 53 LEU HA H 1 3.944 0.015 . . . . . . . . . . 6551 1 591 . 1 1 53 53 LEU HB2 H 1 1.324 0.010 . . . . . . . . . . 6551 1 592 . 1 1 53 53 LEU HB3 H 1 1.132 0.008 . . . . . . . . . . 6551 1 593 . 1 1 53 53 LEU HG H 1 1.359 0.025 . . . . . . . . . . 6551 1 594 . 1 1 53 53 LEU HD11 H 1 1.091 0.015 . . . . . . . . . . 6551 1 595 . 1 1 53 53 LEU HD12 H 1 1.091 0.015 . . . . . . . . . . 6551 1 596 . 1 1 53 53 LEU HD13 H 1 1.091 0.015 . . . . . . . . . . 6551 1 597 . 1 1 53 53 LEU HD21 H 1 0.887 0.015 . . . . . . . . . . 6551 1 598 . 1 1 53 53 LEU HD22 H 1 0.887 0.015 . . . . . . . . . . 6551 1 599 . 1 1 53 53 LEU HD23 H 1 0.887 0.015 . . . . . . . . . . 6551 1 600 . 1 1 53 53 LEU CA C 13 58.316 0.250 . . . . . . . . . . 6551 1 601 . 1 1 53 53 LEU CB C 13 42.715 0.250 . . . . . . . . . . 6551 1 602 . 1 1 53 53 LEU CG C 13 27.023 0.250 . . . . . . . . . . 6551 1 603 . 1 1 53 53 LEU CD1 C 13 25.793 0.250 . . . . . . . . . . 6551 1 604 . 1 1 53 53 LEU CD2 C 13 24.484 0.250 . . . . . . . . . . 6551 1 605 . 1 1 53 53 LEU N N 15 119.354 0.250 . . . . . . . . . . 6551 1 606 . 1 1 54 54 ALA H H 1 7.732 0.025 . . . . . . . . . . 6551 1 607 . 1 1 54 54 ALA HA H 1 3.758 0.004 . . . . . . . . . . 6551 1 608 . 1 1 54 54 ALA HB1 H 1 1.266 0.005 . . . . . . . . . . 6551 1 609 . 1 1 54 54 ALA HB2 H 1 1.266 0.005 . . . . . . . . . . 6551 1 610 . 1 1 54 54 ALA HB3 H 1 1.266 0.005 . . . . . . . . . . 6551 1 611 . 1 1 54 54 ALA CA C 13 54.087 0.250 . . . . . . . . . . 6551 1 612 . 1 1 54 54 ALA CB C 13 18.092 0.250 . . . . . . . . . . 6551 1 613 . 1 1 54 54 ALA N N 15 117.847 0.250 . . . . . . . . . . 6551 1 614 . 1 1 55 55 LEU H H 1 7.311 0.025 . . . . . . . . . . 6551 1 615 . 1 1 55 55 LEU HA H 1 4.177 0.003 . . . . . . . . . . 6551 1 616 . 1 1 55 55 LEU HB2 H 1 1.809 0.014 . . . . . . . . . . 6551 1 617 . 1 1 55 55 LEU HB3 H 1 1.602 0.003 . . . . . . . . . . 6551 1 618 . 1 1 55 55 LEU HG H 1 1.827 0.006 . . . . . . . . . . 6551 1 619 . 1 1 55 55 LEU HD11 H 1 0.881 0.006 . . . . . . . . . . 6551 1 620 . 1 1 55 55 LEU HD12 H 1 0.881 0.006 . . . . . . . . . . 6551 1 621 . 1 1 55 55 LEU HD13 H 1 0.881 0.006 . . . . . . . . . . 6551 1 622 . 1 1 55 55 LEU HD21 H 1 0.823 0.016 . . . . . . . . . . 6551 1 623 . 1 1 55 55 LEU HD22 H 1 0.823 0.016 . . . . . . . . . . 6551 1 624 . 1 1 55 55 LEU HD23 H 1 0.823 0.016 . . . . . . . . . . 6551 1 625 . 1 1 55 55 LEU CA C 13 54.971 0.250 . . . . . . . . . . 6551 1 626 . 1 1 55 55 LEU CB C 13 42.480 0.250 . . . . . . . . . . 6551 1 627 . 1 1 55 55 LEU CG C 13 26.706 0.250 . . . . . . . . . . 6551 1 628 . 1 1 55 55 LEU CD1 C 13 25.163 0.250 . . . . . . . . . . 6551 1 629 . 1 1 55 55 LEU CD2 C 13 22.823 0.250 . . . . . . . . . . 6551 1 630 . 1 1 55 55 LEU N N 15 116.927 0.250 . . . . . . . . . . 6551 1 631 . 1 1 56 56 CYS H H 1 7.605 0.025 . . . . . . . . . . 6551 1 632 . 1 1 56 56 CYS HA H 1 4.476 0.009 . . . . . . . . . . 6551 1 633 . 1 1 56 56 CYS HB2 H 1 2.943 0.005 . . . . . . . . . . 6551 1 634 . 1 1 56 56 CYS HB3 H 1 2.943 0.005 . . . . . . . . . . 6551 1 635 . 1 1 56 56 CYS CA C 13 58.380 0.250 . . . . . . . . . . 6551 1 636 . 1 1 56 56 CYS CB C 13 27.083 0.250 . . . . . . . . . . 6551 1 637 . 1 1 56 56 CYS N N 15 122.548 0.250 . . . . . . . . . . 6551 1 638 . 1 1 57 57 PRO HA H 1 4.201 0.002 . . . . . . . . . . 6551 1 639 . 1 1 57 57 PRO HB2 H 1 2.224 0.005 . . . . . . . . . . 6551 1 640 . 1 1 57 57 PRO HB3 H 1 1.842 0.025 . . . . . . . . . . 6551 1 641 . 1 1 57 57 PRO HG2 H 1 1.957 0.001 . . . . . . . . . . 6551 1 642 . 1 1 57 57 PRO HG3 H 1 1.957 0.001 . . . . . . . . . . 6551 1 643 . 1 1 57 57 PRO HD2 H 1 3.994 0.005 . . . . . . . . . . 6551 1 644 . 1 1 57 57 PRO HD3 H 1 3.620 0.005 . . . . . . . . . . 6551 1 645 . 1 1 57 57 PRO CA C 13 64.602 0.250 . . . . . . . . . . 6551 1 646 . 1 1 57 57 PRO CB C 13 31.800 0.250 . . . . . . . . . . 6551 1 647 . 1 1 57 57 PRO CG C 13 27.580 0.250 . . . . . . . . . . 6551 1 648 . 1 1 57 57 PRO CD C 13 51.320 0.250 . . . . . . . . . . 6551 1 649 . 1 1 58 58 GLY H H 1 8.605 0.025 . . . . . . . . . . 6551 1 650 . 1 1 58 58 GLY HA2 H 1 4.160 0.012 . . . . . . . . . . 6551 1 651 . 1 1 58 58 GLY HA3 H 1 3.654 0.005 . . . . . . . . . . 6551 1 652 . 1 1 58 58 GLY CA C 13 45.683 0.250 . . . . . . . . . . 6551 1 653 . 1 1 58 58 GLY N N 15 111.025 0.250 . . . . . . . . . . 6551 1 654 . 1 1 59 59 LEU H H 1 7.681 0.025 . . . . . . . . . . 6551 1 655 . 1 1 59 59 LEU HA H 1 4.339 0.013 . . . . . . . . . . 6551 1 656 . 1 1 59 59 LEU HB2 H 1 1.855 0.005 . . . . . . . . . . 6551 1 657 . 1 1 59 59 LEU HB3 H 1 1.764 0.012 . . . . . . . . . . 6551 1 658 . 1 1 59 59 LEU HG H 1 1.778 0.007 . . . . . . . . . . 6551 1 659 . 1 1 59 59 LEU HD11 H 1 0.802 0.006 . . . . . . . . . . 6551 1 660 . 1 1 59 59 LEU HD12 H 1 0.802 0.006 . . . . . . . . . . 6551 1 661 . 1 1 59 59 LEU HD13 H 1 0.802 0.006 . . . . . . . . . . 6551 1 662 . 1 1 59 59 LEU HD21 H 1 0.538 0.017 . . . . . . . . . . 6551 1 663 . 1 1 59 59 LEU HD22 H 1 0.538 0.017 . . . . . . . . . . 6551 1 664 . 1 1 59 59 LEU HD23 H 1 0.538 0.017 . . . . . . . . . . 6551 1 665 . 1 1 59 59 LEU CA C 13 56.116 0.250 . . . . . . . . . . 6551 1 666 . 1 1 59 59 LEU CB C 13 41.727 0.250 . . . . . . . . . . 6551 1 667 . 1 1 59 59 LEU CG C 13 27.815 0.250 . . . . . . . . . . 6551 1 668 . 1 1 59 59 LEU CD1 C 13 24.445 0.250 . . . . . . . . . . 6551 1 669 . 1 1 59 59 LEU CD2 C 13 23.607 0.250 . . . . . . . . . . 6551 1 670 . 1 1 59 59 LEU N N 15 123.800 0.250 . . . . . . . . . . 6551 1 671 . 1 1 60 60 GLY H H 1 8.108 0.025 . . . . . . . . . . 6551 1 672 . 1 1 60 60 GLY HA2 H 1 4.329 0.017 . . . . . . . . . . 6551 1 673 . 1 1 60 60 GLY HA3 H 1 4.022 0.010 . . . . . . . . . . 6551 1 674 . 1 1 60 60 GLY CA C 13 44.693 0.250 . . . . . . . . . . 6551 1 675 . 1 1 60 60 GLY N N 15 106.642 0.250 . . . . . . . . . . 6551 1 676 . 1 1 61 61 PRO HA H 1 4.142 0.006 . . . . . . . . . . 6551 1 677 . 1 1 61 61 PRO HB2 H 1 2.280 0.015 . . . . . . . . . . 6551 1 678 . 1 1 61 61 PRO HB3 H 1 1.939 0.015 . . . . . . . . . . 6551 1 679 . 1 1 61 61 PRO HG2 H 1 2.069 0.022 . . . . . . . . . . 6551 1 680 . 1 1 61 61 PRO HG3 H 1 2.069 0.022 . . . . . . . . . . 6551 1 681 . 1 1 61 61 PRO HD2 H 1 3.790 0.007 . . . . . . . . . . 6551 1 682 . 1 1 61 61 PRO HD3 H 1 3.648 0.005 . . . . . . . . . . 6551 1 683 . 1 1 61 61 PRO CA C 13 65.404 0.250 . . . . . . . . . . 6551 1 684 . 1 1 61 61 PRO CB C 13 31.989 0.250 . . . . . . . . . . 6551 1 685 . 1 1 61 61 PRO CG C 13 27.625 0.250 . . . . . . . . . . 6551 1 686 . 1 1 61 61 PRO CD C 13 49.817 0.250 . . . . . . . . . . 6551 1 687 . 1 1 62 62 GLN HA H 1 4.152 0.017 . . . . . . . . . . 6551 1 688 . 1 1 62 62 GLN HB2 H 1 2.098 0.015 . . . . . . . . . . 6551 1 689 . 1 1 62 62 GLN HB3 H 1 2.038 0.014 . . . . . . . . . . 6551 1 690 . 1 1 62 62 GLN HG2 H 1 2.402 0.022 . . . . . . . . . . 6551 1 691 . 1 1 62 62 GLN HG3 H 1 2.347 0.010 . . . . . . . . . . 6551 1 692 . 1 1 62 62 GLN HE21 H 1 7.338 0.025 . . . . . . . . . . 6551 1 693 . 1 1 62 62 GLN HE22 H 1 6.572 0.025 . . . . . . . . . . 6551 1 694 . 1 1 62 62 GLN CA C 13 59.459 0.250 . . . . . . . . . . 6551 1 695 . 1 1 62 62 GLN CB C 13 28.168 0.250 . . . . . . . . . . 6551 1 696 . 1 1 62 62 GLN CG C 13 34.307 0.250 . . . . . . . . . . 6551 1 697 . 1 1 62 62 GLN NE2 N 15 110.868 0.250 . . . . . . . . . . 6551 1 698 . 1 1 63 63 LYS H H 1 8.502 0.025 . . . . . . . . . . 6551 1 699 . 1 1 63 63 LYS HA H 1 3.730 0.010 . . . . . . . . . . 6551 1 700 . 1 1 63 63 LYS HB2 H 1 1.473 0.008 . . . . . . . . . . 6551 1 701 . 1 1 63 63 LYS HB3 H 1 1.473 0.008 . . . . . . . . . . 6551 1 702 . 1 1 63 63 LYS HG2 H 1 1.324 0.002 . . . . . . . . . . 6551 1 703 . 1 1 63 63 LYS HG3 H 1 1.324 0.002 . . . . . . . . . . 6551 1 704 . 1 1 63 63 LYS HD2 H 1 1.653 0.025 . . . . . . . . . . 6551 1 705 . 1 1 63 63 LYS HD3 H 1 1.653 0.025 . . . . . . . . . . 6551 1 706 . 1 1 63 63 LYS HE2 H 1 2.941 0.015 . . . . . . . . . . 6551 1 707 . 1 1 63 63 LYS HE3 H 1 2.941 0.015 . . . . . . . . . . 6551 1 708 . 1 1 63 63 LYS CA C 13 60.304 0.250 . . . . . . . . . . 6551 1 709 . 1 1 63 63 LYS CB C 13 33.410 0.250 . . . . . . . . . . 6551 1 710 . 1 1 63 63 LYS CG C 13 26.722 0.250 . . . . . . . . . . 6551 1 711 . 1 1 63 63 LYS CD C 13 30.142 0.250 . . . . . . . . . . 6551 1 712 . 1 1 63 63 LYS CE C 13 42.188 0.250 . . . . . . . . . . 6551 1 713 . 1 1 63 63 LYS N N 15 120.376 0.250 . . . . . . . . . . 6551 1 714 . 1 1 64 64 ALA H H 1 7.658 0.025 . . . . . . . . . . 6551 1 715 . 1 1 64 64 ALA HA H 1 3.769 0.016 . . . . . . . . . . 6551 1 716 . 1 1 64 64 ALA HB1 H 1 1.362 0.013 . . . . . . . . . . 6551 1 717 . 1 1 64 64 ALA HB2 H 1 1.362 0.013 . . . . . . . . . . 6551 1 718 . 1 1 64 64 ALA HB3 H 1 1.362 0.013 . . . . . . . . . . 6551 1 719 . 1 1 64 64 ALA CA C 13 55.569 0.250 . . . . . . . . . . 6551 1 720 . 1 1 64 64 ALA CB C 13 19.151 0.250 . . . . . . . . . . 6551 1 721 . 1 1 64 64 ALA N N 15 117.487 0.250 . . . . . . . . . . 6551 1 722 . 1 1 65 65 ARG H H 1 7.572 0.025 . . . . . . . . . . 6551 1 723 . 1 1 65 65 ARG HA H 1 3.791 0.003 . . . . . . . . . . 6551 1 724 . 1 1 65 65 ARG HB2 H 1 1.972 0.001 . . . . . . . . . . 6551 1 725 . 1 1 65 65 ARG HB3 H 1 1.893 0.005 . . . . . . . . . . 6551 1 726 . 1 1 65 65 ARG HG2 H 1 1.617 0.025 . . . . . . . . . . 6551 1 727 . 1 1 65 65 ARG HG3 H 1 1.617 0.025 . . . . . . . . . . 6551 1 728 . 1 1 65 65 ARG HD2 H 1 3.139 0.011 . . . . . . . . . . 6551 1 729 . 1 1 65 65 ARG HD3 H 1 3.139 0.011 . . . . . . . . . . 6551 1 730 . 1 1 65 65 ARG CA C 13 59.675 0.250 . . . . . . . . . . 6551 1 731 . 1 1 65 65 ARG CB C 13 29.656 0.250 . . . . . . . . . . 6551 1 732 . 1 1 65 65 ARG CG C 13 27.218 0.250 . . . . . . . . . . 6551 1 733 . 1 1 65 65 ARG CD C 13 43.328 0.250 . . . . . . . . . . 6551 1 734 . 1 1 65 65 ARG N N 15 116.835 0.250 . . . . . . . . . . 6551 1 735 . 1 1 66 66 ARG H H 1 7.609 0.025 . . . . . . . . . . 6551 1 736 . 1 1 66 66 ARG HA H 1 4.101 0.005 . . . . . . . . . . 6551 1 737 . 1 1 66 66 ARG HB2 H 1 1.775 0.016 . . . . . . . . . . 6551 1 738 . 1 1 66 66 ARG HB3 H 1 1.775 0.016 . . . . . . . . . . 6551 1 739 . 1 1 66 66 ARG HG2 H 1 1.838 0.004 . . . . . . . . . . 6551 1 740 . 1 1 66 66 ARG HG3 H 1 1.712 0.006 . . . . . . . . . . 6551 1 741 . 1 1 66 66 ARG HD2 H 1 3.269 0.008 . . . . . . . . . . 6551 1 742 . 1 1 66 66 ARG HD3 H 1 3.031 0.006 . . . . . . . . . . 6551 1 743 . 1 1 66 66 ARG CA C 13 59.257 0.250 . . . . . . . . . . 6551 1 744 . 1 1 66 66 ARG CB C 13 30.428 0.250 . . . . . . . . . . 6551 1 745 . 1 1 66 66 ARG CG C 13 28.062 0.250 . . . . . . . . . . 6551 1 746 . 1 1 66 66 ARG CD C 13 44.009 0.250 . . . . . . . . . . 6551 1 747 . 1 1 66 66 ARG N N 15 117.043 0.250 . . . . . . . . . . 6551 1 748 . 1 1 67 67 LEU H H 1 8.256 0.025 . . . . . . . . . . 6551 1 749 . 1 1 67 67 LEU HA H 1 4.011 0.017 . . . . . . . . . . 6551 1 750 . 1 1 67 67 LEU HB2 H 1 1.730 0.014 . . . . . . . . . . 6551 1 751 . 1 1 67 67 LEU HB3 H 1 1.450 0.021 . . . . . . . . . . 6551 1 752 . 1 1 67 67 LEU HG H 1 1.454 0.025 . . . . . . . . . . 6551 1 753 . 1 1 67 67 LEU HD11 H 1 0.861 0.019 . . . . . . . . . . 6551 1 754 . 1 1 67 67 LEU HD12 H 1 0.861 0.019 . . . . . . . . . . 6551 1 755 . 1 1 67 67 LEU HD13 H 1 0.861 0.019 . . . . . . . . . . 6551 1 756 . 1 1 67 67 LEU HD21 H 1 0.867 0.022 . . . . . . . . . . 6551 1 757 . 1 1 67 67 LEU HD22 H 1 0.867 0.022 . . . . . . . . . . 6551 1 758 . 1 1 67 67 LEU HD23 H 1 0.867 0.022 . . . . . . . . . . 6551 1 759 . 1 1 67 67 LEU CA C 13 57.833 0.250 . . . . . . . . . . 6551 1 760 . 1 1 67 67 LEU CB C 13 42.195 0.250 . . . . . . . . . . 6551 1 761 . 1 1 67 67 LEU CG C 13 27.955 0.250 . . . . . . . . . . 6551 1 762 . 1 1 67 67 LEU CD1 C 13 27.248 0.250 . . . . . . . . . . 6551 1 763 . 1 1 67 67 LEU CD2 C 13 24.335 0.250 . . . . . . . . . . 6551 1 764 . 1 1 67 67 LEU N N 15 119.185 0.250 . . . . . . . . . . 6551 1 765 . 1 1 68 68 PHE H H 1 8.558 0.025 . . . . . . . . . . 6551 1 766 . 1 1 68 68 PHE HA H 1 3.743 0.013 . . . . . . . . . . 6551 1 767 . 1 1 68 68 PHE HB2 H 1 3.100 0.007 . . . . . . . . . . 6551 1 768 . 1 1 68 68 PHE HB3 H 1 3.011 0.031 . . . . . . . . . . 6551 1 769 . 1 1 68 68 PHE HD1 H 1 7.093 0.030 . . . . . . . . . . 6551 1 770 . 1 1 68 68 PHE HD2 H 1 7.093 0.030 . . . . . . . . . . 6551 1 771 . 1 1 68 68 PHE HE1 H 1 6.660 0.015 . . . . . . . . . . 6551 1 772 . 1 1 68 68 PHE HE2 H 1 6.660 0.015 . . . . . . . . . . 6551 1 773 . 1 1 68 68 PHE HZ H 1 7.092 0.025 . . . . . . . . . . 6551 1 774 . 1 1 68 68 PHE CA C 13 62.961 0.250 . . . . . . . . . . 6551 1 775 . 1 1 68 68 PHE CB C 13 39.652 0.250 . . . . . . . . . . 6551 1 776 . 1 1 68 68 PHE CD1 C 13 131.748 0.368 . . . . . . . . . . 6551 1 777 . 1 1 68 68 PHE CD2 C 13 131.748 0.368 . . . . . . . . . . 6551 1 778 . 1 1 68 68 PHE CE1 C 13 129.513 0.250 . . . . . . . . . . 6551 1 779 . 1 1 68 68 PHE CE2 C 13 129.513 0.250 . . . . . . . . . . 6551 1 780 . 1 1 68 68 PHE N N 15 118.850 0.250 . . . . . . . . . . 6551 1 781 . 1 1 69 69 ASP H H 1 8.641 0.025 . . . . . . . . . . 6551 1 782 . 1 1 69 69 ASP HA H 1 4.508 0.007 . . . . . . . . . . 6551 1 783 . 1 1 69 69 ASP HB2 H 1 2.849 0.019 . . . . . . . . . . 6551 1 784 . 1 1 69 69 ASP HB3 H 1 2.641 0.008 . . . . . . . . . . 6551 1 785 . 1 1 69 69 ASP CA C 13 57.750 0.250 . . . . . . . . . . 6551 1 786 . 1 1 69 69 ASP CB C 13 39.500 0.250 . . . . . . . . . . 6551 1 787 . 1 1 69 69 ASP N N 15 119.065 0.250 . . . . . . . . . . 6551 1 788 . 1 1 70 70 VAL H H 1 7.755 0.025 . . . . . . . . . . 6551 1 789 . 1 1 70 70 VAL HA H 1 3.526 0.007 . . . . . . . . . . 6551 1 790 . 1 1 70 70 VAL HB H 1 1.967 0.002 . . . . . . . . . . 6551 1 791 . 1 1 70 70 VAL HG11 H 1 0.608 0.004 . . . . . . . . . . 6551 1 792 . 1 1 70 70 VAL HG12 H 1 0.608 0.004 . . . . . . . . . . 6551 1 793 . 1 1 70 70 VAL HG13 H 1 0.608 0.004 . . . . . . . . . . 6551 1 794 . 1 1 70 70 VAL HG21 H 1 0.978 0.005 . . . . . . . . . . 6551 1 795 . 1 1 70 70 VAL HG22 H 1 0.978 0.005 . . . . . . . . . . 6551 1 796 . 1 1 70 70 VAL HG23 H 1 0.978 0.005 . . . . . . . . . . 6551 1 797 . 1 1 70 70 VAL CA C 13 67.057 0.250 . . . . . . . . . . 6551 1 798 . 1 1 70 70 VAL CB C 13 31.041 0.250 . . . . . . . . . . 6551 1 799 . 1 1 70 70 VAL CG1 C 13 21.222 0.250 . . . . . . . . . . 6551 1 800 . 1 1 70 70 VAL CG2 C 13 24.445 0.250 . . . . . . . . . . 6551 1 801 . 1 1 70 70 VAL N N 15 121.099 0.250 . . . . . . . . . . 6551 1 802 . 1 1 71 71 LEU H H 1 7.068 0.025 . . . . . . . . . . 6551 1 803 . 1 1 71 71 LEU HA H 1 3.480 0.006 . . . . . . . . . . 6551 1 804 . 1 1 71 71 LEU HB2 H 1 0.558 0.016 . . . . . . . . . . 6551 1 805 . 1 1 71 71 LEU HB3 H 1 1.337 0.015 . . . . . . . . . . 6551 1 806 . 1 1 71 71 LEU HG H 1 1.616 0.013 . . . . . . . . . . 6551 1 807 . 1 1 71 71 LEU HD11 H 1 0.389 0.006 . . . . . . . . . . 6551 1 808 . 1 1 71 71 LEU HD12 H 1 0.389 0.006 . . . . . . . . . . 6551 1 809 . 1 1 71 71 LEU HD13 H 1 0.389 0.006 . . . . . . . . . . 6551 1 810 . 1 1 71 71 LEU HD21 H 1 -0.080 0.004 . . . . . . . . . . 6551 1 811 . 1 1 71 71 LEU HD22 H 1 -0.080 0.004 . . . . . . . . . . 6551 1 812 . 1 1 71 71 LEU HD23 H 1 -0.080 0.004 . . . . . . . . . . 6551 1 813 . 1 1 71 71 LEU CA C 13 55.517 0.250 . . . . . . . . . . 6551 1 814 . 1 1 71 71 LEU CB C 13 41.820 0.250 . . . . . . . . . . 6551 1 815 . 1 1 71 71 LEU CG C 13 25.490 0.252 . . . . . . . . . . 6551 1 816 . 1 1 71 71 LEU CD1 C 13 25.414 0.250 . . . . . . . . . . 6551 1 817 . 1 1 71 71 LEU CD2 C 13 21.535 0.250 . . . . . . . . . . 6551 1 818 . 1 1 71 71 LEU N N 15 114.020 0.250 . . . . . . . . . . 6551 1 819 . 1 1 72 72 HIS H H 1 7.216 0.025 . . . . . . . . . . 6551 1 820 . 1 1 72 72 HIS HA H 1 4.332 0.008 . . . . . . . . . . 6551 1 821 . 1 1 72 72 HIS HB2 H 1 2.982 0.006 . . . . . . . . . . 6551 1 822 . 1 1 72 72 HIS HB3 H 1 2.921 0.004 . . . . . . . . . . 6551 1 823 . 1 1 72 72 HIS HD2 H 1 6.644 0.017 . . . . . . . . . . 6551 1 824 . 1 1 72 72 HIS HE1 H 1 8.700 0.016 . . . . . . . . . . 6551 1 825 . 1 1 72 72 HIS CA C 13 56.092 0.250 . . . . . . . . . . 6551 1 826 . 1 1 72 72 HIS CB C 13 30.507 0.250 . . . . . . . . . . 6551 1 827 . 1 1 72 72 HIS CD2 C 13 120.093 0.296 . . . . . . . . . . 6551 1 828 . 1 1 72 72 HIS CE1 C 13 136.604 0.250 . . . . . . . . . . 6551 1 829 . 1 1 72 72 HIS N N 15 110.224 0.250 . . . . . . . . . . 6551 1 830 . 1 1 73 73 GLU H H 1 8.715 0.025 . . . . . . . . . . 6551 1 831 . 1 1 73 73 GLU HA H 1 4.376 0.004 . . . . . . . . . . 6551 1 832 . 1 1 73 73 GLU HB2 H 1 2.075 0.015 . . . . . . . . . . 6551 1 833 . 1 1 73 73 GLU HB3 H 1 1.817 0.008 . . . . . . . . . . 6551 1 834 . 1 1 73 73 GLU HG2 H 1 2.334 0.004 . . . . . . . . . . 6551 1 835 . 1 1 73 73 GLU HG3 H 1 2.334 0.004 . . . . . . . . . . 6551 1 836 . 1 1 73 73 GLU CA C 13 55.464 0.250 . . . . . . . . . . 6551 1 837 . 1 1 73 73 GLU CB C 13 29.464 0.250 . . . . . . . . . . 6551 1 838 . 1 1 73 73 GLU CG C 13 37.052 0.250 . . . . . . . . . . 6551 1 839 . 1 1 73 73 GLU N N 15 126.484 0.250 . . . . . . . . . . 6551 1 840 . 1 1 74 74 PRO HA H 1 4.620 0.011 . . . . . . . . . . 6551 1 841 . 1 1 74 74 PRO HB2 H 1 2.200 0.015 . . . . . . . . . . 6551 1 842 . 1 1 74 74 PRO HB3 H 1 2.200 0.015 . . . . . . . . . . 6551 1 843 . 1 1 74 74 PRO HG2 H 1 2.066 0.019 . . . . . . . . . . 6551 1 844 . 1 1 74 74 PRO HG3 H 1 1.921 0.008 . . . . . . . . . . 6551 1 845 . 1 1 74 74 PRO HD2 H 1 3.766 0.001 . . . . . . . . . . 6551 1 846 . 1 1 74 74 PRO HD3 H 1 3.590 0.020 . . . . . . . . . . 6551 1 847 . 1 1 74 74 PRO CA C 13 61.853 0.250 . . . . . . . . . . 6551 1 848 . 1 1 74 74 PRO CB C 13 31.928 0.250 . . . . . . . . . . 6551 1 849 . 1 1 74 74 PRO CG C 13 28.106 0.250 . . . . . . . . . . 6551 1 850 . 1 1 74 74 PRO CD C 13 50.334 0.250 . . . . . . . . . . 6551 1 851 . 1 1 75 75 PHE H H 1 7.841 0.025 . . . . . . . . . . 6551 1 852 . 1 1 75 75 PHE HA H 1 4.464 0.009 . . . . . . . . . . 6551 1 853 . 1 1 75 75 PHE HB2 H 1 3.377 0.004 . . . . . . . . . . 6551 1 854 . 1 1 75 75 PHE HB3 H 1 3.040 0.015 . . . . . . . . . . 6551 1 855 . 1 1 75 75 PHE HD1 H 1 7.397 0.006 . . . . . . . . . . 6551 1 856 . 1 1 75 75 PHE HD2 H 1 7.397 0.006 . . . . . . . . . . 6551 1 857 . 1 1 75 75 PHE HE1 H 1 6.893 0.008 . . . . . . . . . . 6551 1 858 . 1 1 75 75 PHE HE2 H 1 6.893 0.008 . . . . . . . . . . 6551 1 859 . 1 1 75 75 PHE HZ H 1 6.715 0.008 . . . . . . . . . . 6551 1 860 . 1 1 75 75 PHE CA C 13 61.351 0.250 . . . . . . . . . . 6551 1 861 . 1 1 75 75 PHE CB C 13 40.250 0.250 . . . . . . . . . . 6551 1 862 . 1 1 75 75 PHE CD1 C 13 132.522 0.250 . . . . . . . . . . 6551 1 863 . 1 1 75 75 PHE CD2 C 13 132.522 0.250 . . . . . . . . . . 6551 1 864 . 1 1 75 75 PHE CE1 C 13 131.144 0.250 . . . . . . . . . . 6551 1 865 . 1 1 75 75 PHE CE2 C 13 131.144 0.250 . . . . . . . . . . 6551 1 866 . 1 1 75 75 PHE CZ C 13 129.507 0.250 . . . . . . . . . . 6551 1 867 . 1 1 75 75 PHE N N 15 117.345 0.250 . . . . . . . . . . 6551 1 868 . 1 1 76 76 LEU H H 1 8.120 0.025 . . . . . . . . . . 6551 1 869 . 1 1 76 76 LEU HA H 1 4.649 0.007 . . . . . . . . . . 6551 1 870 . 1 1 76 76 LEU HB2 H 1 1.428 0.015 . . . . . . . . . . 6551 1 871 . 1 1 76 76 LEU HB3 H 1 1.657 0.018 . . . . . . . . . . 6551 1 872 . 1 1 76 76 LEU HG H 1 1.668 0.005 . . . . . . . . . . 6551 1 873 . 1 1 76 76 LEU HD11 H 1 0.798 0.007 . . . . . . . . . . 6551 1 874 . 1 1 76 76 LEU HD12 H 1 0.798 0.007 . . . . . . . . . . 6551 1 875 . 1 1 76 76 LEU HD13 H 1 0.798 0.007 . . . . . . . . . . 6551 1 876 . 1 1 76 76 LEU HD21 H 1 0.616 0.008 . . . . . . . . . . 6551 1 877 . 1 1 76 76 LEU HD22 H 1 0.616 0.008 . . . . . . . . . . 6551 1 878 . 1 1 76 76 LEU HD23 H 1 0.616 0.008 . . . . . . . . . . 6551 1 879 . 1 1 76 76 LEU CA C 13 54.117 0.250 . . . . . . . . . . 6551 1 880 . 1 1 76 76 LEU CB C 13 42.421 0.250 . . . . . . . . . . 6551 1 881 . 1 1 76 76 LEU CG C 13 27.383 0.250 . . . . . . . . . . 6551 1 882 . 1 1 76 76 LEU CD1 C 13 25.598 0.250 . . . . . . . . . . 6551 1 883 . 1 1 76 76 LEU CD2 C 13 23.817 0.250 . . . . . . . . . . 6551 1 884 . 1 1 76 76 LEU N N 15 116.650 0.250 . . . . . . . . . . 6551 1 885 . 1 1 77 77 LYS H H 1 8.024 0.025 . . . . . . . . . . 6551 1 886 . 1 1 77 77 LYS HA H 1 4.087 0.009 . . . . . . . . . . 6551 1 887 . 1 1 77 77 LYS HB2 H 1 1.595 0.003 . . . . . . . . . . 6551 1 888 . 1 1 77 77 LYS HB3 H 1 1.393 0.007 . . . . . . . . . . 6551 1 889 . 1 1 77 77 LYS HG2 H 1 1.181 0.007 . . . . . . . . . . 6551 1 890 . 1 1 77 77 LYS HG3 H 1 1.181 0.007 . . . . . . . . . . 6551 1 891 . 1 1 77 77 LYS HD2 H 1 1.551 0.007 . . . . . . . . . . 6551 1 892 . 1 1 77 77 LYS HD3 H 1 1.551 0.007 . . . . . . . . . . 6551 1 893 . 1 1 77 77 LYS HE2 H 1 2.911 0.031 . . . . . . . . . . 6551 1 894 . 1 1 77 77 LYS HE3 H 1 2.911 0.031 . . . . . . . . . . 6551 1 895 . 1 1 77 77 LYS CA C 13 57.220 0.250 . . . . . . . . . . 6551 1 896 . 1 1 77 77 LYS CB C 13 33.276 0.250 . . . . . . . . . . 6551 1 897 . 1 1 77 77 LYS CG C 13 25.425 0.250 . . . . . . . . . . 6551 1 898 . 1 1 77 77 LYS CD C 13 29.545 0.250 . . . . . . . . . . 6551 1 899 . 1 1 77 77 LYS CE C 13 42.094 0.250 . . . . . . . . . . 6551 1 900 . 1 1 77 77 LYS N N 15 121.763 0.250 . . . . . . . . . . 6551 1 901 . 1 1 78 78 VAL H H 1 8.156 0.025 . . . . . . . . . . 6551 1 902 . 1 1 78 78 VAL HA H 1 4.382 0.011 . . . . . . . . . . 6551 1 903 . 1 1 78 78 VAL HB H 1 2.011 0.001 . . . . . . . . . . 6551 1 904 . 1 1 78 78 VAL HG11 H 1 0.879 0.003 . . . . . . . . . . 6551 1 905 . 1 1 78 78 VAL HG12 H 1 0.879 0.003 . . . . . . . . . . 6551 1 906 . 1 1 78 78 VAL HG13 H 1 0.879 0.003 . . . . . . . . . . 6551 1 907 . 1 1 78 78 VAL HG21 H 1 0.903 0.006 . . . . . . . . . . 6551 1 908 . 1 1 78 78 VAL HG22 H 1 0.903 0.006 . . . . . . . . . . 6551 1 909 . 1 1 78 78 VAL HG23 H 1 0.903 0.006 . . . . . . . . . . 6551 1 910 . 1 1 78 78 VAL CA C 13 59.462 0.250 . . . . . . . . . . 6551 1 911 . 1 1 78 78 VAL CB C 13 32.749 0.250 . . . . . . . . . . 6551 1 912 . 1 1 78 78 VAL CG1 C 13 20.389 0.250 . . . . . . . . . . 6551 1 913 . 1 1 78 78 VAL CG2 C 13 21.119 0.250 . . . . . . . . . . 6551 1 914 . 1 1 78 78 VAL N N 15 121.916 0.250 . . . . . . . . . . 6551 1 915 . 1 1 79 79 PRO HA H 1 4.346 0.006 . . . . . . . . . . 6551 1 916 . 1 1 79 79 PRO HB2 H 1 2.258 0.013 . . . . . . . . . . 6551 1 917 . 1 1 79 79 PRO HB3 H 1 1.880 0.008 . . . . . . . . . . 6551 1 918 . 1 1 79 79 PRO HG2 H 1 1.999 0.003 . . . . . . . . . . 6551 1 919 . 1 1 79 79 PRO HG3 H 1 1.925 0.013 . . . . . . . . . . 6551 1 920 . 1 1 79 79 PRO HD2 H 1 3.822 0.002 . . . . . . . . . . 6551 1 921 . 1 1 79 79 PRO HD3 H 1 3.627 0.005 . . . . . . . . . . 6551 1 922 . 1 1 79 79 PRO CA C 13 63.463 0.250 . . . . . . . . . . 6551 1 923 . 1 1 79 79 PRO CB C 13 32.107 0.250 . . . . . . . . . . 6551 1 924 . 1 1 79 79 PRO CG C 13 27.569 0.250 . . . . . . . . . . 6551 1 925 . 1 1 79 79 PRO CD C 13 50.960 0.250 . . . . . . . . . . 6551 1 926 . 1 1 80 80 GLY H H 1 8.455 0.025 . . . . . . . . . . 6551 1 927 . 1 1 80 80 GLY HA2 H 1 3.920 0.015 . . . . . . . . . . 6551 1 928 . 1 1 80 80 GLY HA3 H 1 3.920 0.015 . . . . . . . . . . 6551 1 929 . 1 1 80 80 GLY CA C 13 45.344 0.250 . . . . . . . . . . 6551 1 930 . 1 1 80 80 GLY N N 15 109.385 0.250 . . . . . . . . . . 6551 1 931 . 1 1 81 81 GLY H H 1 8.308 0.025 . . . . . . . . . . 6551 1 932 . 1 1 81 81 GLY HA2 H 1 3.926 0.002 . . . . . . . . . . 6551 1 933 . 1 1 81 81 GLY HA3 H 1 3.926 0.002 . . . . . . . . . . 6551 1 934 . 1 1 81 81 GLY CA C 13 45.363 0.250 . . . . . . . . . . 6551 1 935 . 1 1 81 81 GLY N N 15 108.733 0.250 . . . . . . . . . . 6551 1 936 . 1 1 82 82 LEU H H 1 8.137 0.025 . . . . . . . . . . 6551 1 937 . 1 1 82 82 LEU HA H 1 4.254 0.004 . . . . . . . . . . 6551 1 938 . 1 1 82 82 LEU HB2 H 1 1.468 0.015 . . . . . . . . . . 6551 1 939 . 1 1 82 82 LEU HB3 H 1 1.468 0.015 . . . . . . . . . . 6551 1 940 . 1 1 82 82 LEU HG H 1 1.517 0.003 . . . . . . . . . . 6551 1 941 . 1 1 82 82 LEU HD11 H 1 0.832 0.015 . . . . . . . . . . 6551 1 942 . 1 1 82 82 LEU HD12 H 1 0.832 0.015 . . . . . . . . . . 6551 1 943 . 1 1 82 82 LEU HD13 H 1 0.832 0.015 . . . . . . . . . . 6551 1 944 . 1 1 82 82 LEU HD21 H 1 0.778 0.001 . . . . . . . . . . 6551 1 945 . 1 1 82 82 LEU HD22 H 1 0.778 0.001 . . . . . . . . . . 6551 1 946 . 1 1 82 82 LEU HD23 H 1 0.778 0.001 . . . . . . . . . . 6551 1 947 . 1 1 82 82 LEU CA C 13 55.244 0.250 . . . . . . . . . . 6551 1 948 . 1 1 82 82 LEU CB C 13 42.390 0.250 . . . . . . . . . . 6551 1 949 . 1 1 82 82 LEU CG C 13 26.999 0.250 . . . . . . . . . . 6551 1 950 . 1 1 82 82 LEU CD1 C 13 24.861 0.250 . . . . . . . . . . 6551 1 951 . 1 1 82 82 LEU CD2 C 13 23.503 0.250 . . . . . . . . . . 6551 1 952 . 1 1 82 82 LEU N N 15 121.323 0.250 . . . . . . . . . . 6551 1 953 . 1 1 83 83 GLU H H 1 8.454 0.025 . . . . . . . . . . 6551 1 954 . 1 1 83 83 GLU HA H 1 4.134 0.015 . . . . . . . . . . 6551 1 955 . 1 1 83 83 GLU HB2 H 1 1.857 0.005 . . . . . . . . . . 6551 1 956 . 1 1 83 83 GLU HB3 H 1 1.793 0.001 . . . . . . . . . . 6551 1 957 . 1 1 83 83 GLU HG2 H 1 2.145 0.015 . . . . . . . . . . 6551 1 958 . 1 1 83 83 GLU HG3 H 1 2.072 0.001 . . . . . . . . . . 6551 1 959 . 1 1 83 83 GLU CA C 13 56.767 0.250 . . . . . . . . . . 6551 1 960 . 1 1 83 83 GLU CB C 13 30.064 0.250 . . . . . . . . . . 6551 1 961 . 1 1 83 83 GLU CG C 13 36.206 0.268 . . . . . . . . . . 6551 1 962 . 1 1 83 83 GLU N N 15 121.195 0.250 . . . . . . . . . . 6551 1 963 . 1 1 84 84 HIS H H 1 8.201 0.038 . . . . . . . . . . 6551 1 964 . 1 1 84 84 HIS HA H 1 4.502 0.005 . . . . . . . . . . 6551 1 965 . 1 1 84 84 HIS HB2 H 1 2.968 0.015 . . . . . . . . . . 6551 1 966 . 1 1 84 84 HIS HB3 H 1 2.968 0.015 . . . . . . . . . . 6551 1 967 . 1 1 84 84 HIS CA C 13 56.120 0.250 . . . . . . . . . . 6551 1 968 . 1 1 84 84 HIS CB C 13 30.485 0.250 . . . . . . . . . . 6551 1 969 . 1 1 84 84 HIS N N 15 119.640 0.250 . . . . . . . . . . 6551 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 6551 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6551 2 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 . 2 2 2 2 ASP HA H 1 4.645 0.005 . . . . . . . . . . 6551 2 2 . 2 2 2 2 ASP HB2 H 1 2.720 0.006 . . . . . . . . . . 6551 2 3 . 2 2 2 2 ASP HB3 H 1 2.591 0.004 . . . . . . . . . . 6551 2 4 . 2 2 2 2 ASP CA C 13 54.609 0.250 . . . . . . . . . . 6551 2 5 . 2 2 2 2 ASP CB C 13 41.380 0.250 . . . . . . . . . . 6551 2 6 . 2 2 3 3 SER H H 1 8.406 0.025 . . . . . . . . . . 6551 2 7 . 2 2 3 3 SER HA H 1 4.362 0.015 . . . . . . . . . . 6551 2 8 . 2 2 3 3 SER HB2 H 1 3.858 0.015 . . . . . . . . . . 6551 2 9 . 2 2 3 3 SER HB3 H 1 3.810 0.015 . . . . . . . . . . 6551 2 10 . 2 2 3 3 SER CA C 13 58.758 0.250 . . . . . . . . . . 6551 2 11 . 2 2 3 3 SER CB C 13 63.779 0.250 . . . . . . . . . . 6551 2 12 . 2 2 3 3 SER N N 15 116.202 0.250 . . . . . . . . . . 6551 2 13 . 2 2 4 4 GLU H H 1 8.459 0.025 . . . . . . . . . . 6551 2 14 . 2 2 4 4 GLU HA H 1 4.293 0.020 . . . . . . . . . . 6551 2 15 . 2 2 4 4 GLU HB2 H 1 2.332 0.005 . . . . . . . . . . 6551 2 16 . 2 2 4 4 GLU HB3 H 1 1.925 0.005 . . . . . . . . . . 6551 2 17 . 2 2 4 4 GLU HG2 H 1 2.248 0.015 . . . . . . . . . . 6551 2 18 . 2 2 4 4 GLU HG3 H 1 2.171 0.015 . . . . . . . . . . 6551 2 19 . 2 2 4 4 GLU CA C 13 56.794 0.250 . . . . . . . . . . 6551 2 20 . 2 2 4 4 GLU CB C 13 30.198 0.250 . . . . . . . . . . 6551 2 21 . 2 2 4 4 GLU CG C 13 36.363 0.250 . . . . . . . . . . 6551 2 22 . 2 2 4 4 GLU N N 15 122.328 0.250 . . . . . . . . . . 6551 2 23 . 2 2 5 5 THR H H 1 8.107 0.025 . . . . . . . . . . 6551 2 24 . 2 2 5 5 THR HA H 1 4.258 0.002 . . . . . . . . . . 6551 2 25 . 2 2 5 5 THR HB H 1 4.098 0.001 . . . . . . . . . . 6551 2 26 . 2 2 5 5 THR HG21 H 1 1.144 0.004 . . . . . . . . . . 6551 2 27 . 2 2 5 5 THR HG22 H 1 1.144 0.004 . . . . . . . . . . 6551 2 28 . 2 2 5 5 THR HG23 H 1 1.144 0.004 . . . . . . . . . . 6551 2 29 . 2 2 5 5 THR CA C 13 61.848 0.250 . . . . . . . . . . 6551 2 30 . 2 2 5 5 THR CB C 13 69.832 0.250 . . . . . . . . . . 6551 2 31 . 2 2 5 5 THR CG2 C 13 21.764 0.250 . . . . . . . . . . 6551 2 32 . 2 2 5 5 THR N N 15 115.419 0.250 . . . . . . . . . . 6551 2 33 . 2 2 6 6 LEU H H 1 8.260 0.025 . . . . . . . . . . 6551 2 34 . 2 2 6 6 LEU HA H 1 4.564 0.003 . . . . . . . . . . 6551 2 35 . 2 2 6 6 LEU HB2 H 1 1.458 0.004 . . . . . . . . . . 6551 2 36 . 2 2 6 6 LEU HB3 H 1 1.526 0.004 . . . . . . . . . . 6551 2 37 . 2 2 6 6 LEU HG H 1 1.600 0.006 . . . . . . . . . . 6551 2 38 . 2 2 6 6 LEU HD11 H 1 0.838 0.015 . . . . . . . . . . 6551 2 39 . 2 2 6 6 LEU HD12 H 1 0.838 0.015 . . . . . . . . . . 6551 2 40 . 2 2 6 6 LEU HD13 H 1 0.838 0.015 . . . . . . . . . . 6551 2 41 . 2 2 6 6 LEU HD21 H 1 0.819 0.013 . . . . . . . . . . 6551 2 42 . 2 2 6 6 LEU HD22 H 1 0.819 0.013 . . . . . . . . . . 6551 2 43 . 2 2 6 6 LEU HD23 H 1 0.819 0.013 . . . . . . . . . . 6551 2 44 . 2 2 6 6 LEU CA C 13 53.033 0.250 . . . . . . . . . . 6551 2 45 . 2 2 6 6 LEU CB C 13 41.947 0.250 . . . . . . . . . . 6551 2 46 . 2 2 6 6 LEU CG C 13 27.088 0.250 . . . . . . . . . . 6551 2 47 . 2 2 6 6 LEU CD1 C 13 25.260 0.250 . . . . . . . . . . 6551 2 48 . 2 2 6 6 LEU CD2 C 13 23.632 0.250 . . . . . . . . . . 6551 2 49 . 2 2 6 6 LEU N N 15 126.279 0.250 . . . . . . . . . . 6551 2 50 . 2 2 7 7 PRO HA H 1 4.399 0.001 . . . . . . . . . . 6551 2 51 . 2 2 7 7 PRO HB2 H 1 2.279 0.014 . . . . . . . . . . 6551 2 52 . 2 2 7 7 PRO HB3 H 1 1.880 0.003 . . . . . . . . . . 6551 2 53 . 2 2 7 7 PRO HG2 H 1 1.987 0.014 . . . . . . . . . . 6551 2 54 . 2 2 7 7 PRO HG3 H 1 1.987 0.014 . . . . . . . . . . 6551 2 55 . 2 2 7 7 PRO HD2 H 1 3.822 0.004 . . . . . . . . . . 6551 2 56 . 2 2 7 7 PRO HD3 H 1 3.546 0.004 . . . . . . . . . . 6551 2 57 . 2 2 7 7 PRO CA C 13 63.210 0.250 . . . . . . . . . . 6551 2 58 . 2 2 7 7 PRO CB C 13 32.095 0.250 . . . . . . . . . . 6551 2 59 . 2 2 7 7 PRO CG C 13 27.562 0.250 . . . . . . . . . . 6551 2 60 . 2 2 7 7 PRO CD C 13 50.665 0.250 . . . . . . . . . . 6551 2 61 . 2 2 8 8 GLU H H 1 8.708 0.025 . . . . . . . . . . 6551 2 62 . 2 2 8 8 GLU HA H 1 4.120 0.009 . . . . . . . . . . 6551 2 63 . 2 2 8 8 GLU HB2 H 1 2.059 0.041 . . . . . . . . . . 6551 2 64 . 2 2 8 8 GLU HB3 H 1 2.059 0.041 . . . . . . . . . . 6551 2 65 . 2 2 8 8 GLU HG2 H 1 2.307 0.015 . . . . . . . . . . 6551 2 66 . 2 2 8 8 GLU HG3 H 1 2.074 0.025 . . . . . . . . . . 6551 2 67 . 2 2 8 8 GLU CA C 13 57.689 0.250 . . . . . . . . . . 6551 2 68 . 2 2 8 8 GLU CB C 13 29.596 0.250 . . . . . . . . . . 6551 2 69 . 2 2 8 8 GLU CG C 13 36.535 0.278 . . . . . . . . . . 6551 2 70 . 2 2 8 8 GLU N N 15 120.879 0.250 . . . . . . . . . . 6551 2 71 . 2 2 9 9 SER H H 1 8.188 0.025 . . . . . . . . . . 6551 2 72 . 2 2 9 9 SER HA H 1 4.343 0.006 . . . . . . . . . . 6551 2 73 . 2 2 9 9 SER HB2 H 1 3.974 0.001 . . . . . . . . . . 6551 2 74 . 2 2 9 9 SER HB3 H 1 3.897 0.004 . . . . . . . . . . 6551 2 75 . 2 2 9 9 SER CA C 13 59.722 0.250 . . . . . . . . . . 6551 2 76 . 2 2 9 9 SER CB C 13 63.513 0.250 . . . . . . . . . . 6551 2 77 . 2 2 9 9 SER N N 15 114.237 0.250 . . . . . . . . . . 6551 2 78 . 2 2 10 10 GLU H H 1 8.356 0.025 . . . . . . . . . . 6551 2 79 . 2 2 10 10 GLU HA H 1 4.294 0.011 . . . . . . . . . . 6551 2 80 . 2 2 10 10 GLU HB2 H 1 2.055 0.015 . . . . . . . . . . 6551 2 81 . 2 2 10 10 GLU HB3 H 1 1.857 0.006 . . . . . . . . . . 6551 2 82 . 2 2 10 10 GLU HG2 H 1 2.248 0.006 . . . . . . . . . . 6551 2 83 . 2 2 10 10 GLU HG3 H 1 2.155 0.006 . . . . . . . . . . 6551 2 84 . 2 2 10 10 GLU CA C 13 56.910 0.250 . . . . . . . . . . 6551 2 85 . 2 2 10 10 GLU CB C 13 29.853 0.250 . . . . . . . . . . 6551 2 86 . 2 2 10 10 GLU CG C 13 36.271 0.250 . . . . . . . . . . 6551 2 87 . 2 2 10 10 GLU N N 15 121.350 0.250 . . . . . . . . . . 6551 2 88 . 2 2 11 11 LYS H H 1 7.797 0.025 . . . . . . . . . . 6551 2 89 . 2 2 11 11 LYS HA H 1 4.085 0.015 . . . . . . . . . . 6551 2 90 . 2 2 11 11 LYS HB2 H 1 1.323 0.022 . . . . . . . . . . 6551 2 91 . 2 2 11 11 LYS HB3 H 1 1.323 0.022 . . . . . . . . . . 6551 2 92 . 2 2 11 11 LYS HG2 H 1 1.123 0.008 . . . . . . . . . . 6551 2 93 . 2 2 11 11 LYS HG3 H 1 1.018 0.009 . . . . . . . . . . 6551 2 94 . 2 2 11 11 LYS HD2 H 1 1.512 0.006 . . . . . . . . . . 6551 2 95 . 2 2 11 11 LYS HD3 H 1 1.512 0.006 . . . . . . . . . . 6551 2 96 . 2 2 11 11 LYS HE2 H 1 2.845 0.008 . . . . . . . . . . 6551 2 97 . 2 2 11 11 LYS HE3 H 1 2.845 0.008 . . . . . . . . . . 6551 2 98 . 2 2 11 11 LYS CA C 13 56.918 0.250 . . . . . . . . . . 6551 2 99 . 2 2 11 11 LYS CB C 13 33.686 0.250 . . . . . . . . . . 6551 2 100 . 2 2 11 11 LYS CG C 13 24.982 0.250 . . . . . . . . . . 6551 2 101 . 2 2 11 11 LYS CD C 13 29.280 0.250 . . . . . . . . . . 6551 2 102 . 2 2 11 11 LYS CE C 13 42.147 0.250 . . . . . . . . . . 6551 2 103 . 2 2 11 11 LYS N N 15 119.190 0.250 . . . . . . . . . . 6551 2 104 . 2 2 12 12 TYR H H 1 7.724 0.025 . . . . . . . . . . 6551 2 105 . 2 2 12 12 TYR HA H 1 5.307 0.012 . . . . . . . . . . 6551 2 106 . 2 2 12 12 TYR HB2 H 1 3.065 0.010 . . . . . . . . . . 6551 2 107 . 2 2 12 12 TYR HB3 H 1 2.571 0.024 . . . . . . . . . . 6551 2 108 . 2 2 12 12 TYR HD1 H 1 7.037 0.008 . . . . . . . . . . 6551 2 109 . 2 2 12 12 TYR HD2 H 1 7.037 0.008 . . . . . . . . . . 6551 2 110 . 2 2 12 12 TYR HE1 H 1 6.573 0.005 . . . . . . . . . . 6551 2 111 . 2 2 12 12 TYR HE2 H 1 6.573 0.005 . . . . . . . . . . 6551 2 112 . 2 2 12 12 TYR CA C 13 56.396 0.250 . . . . . . . . . . 6551 2 113 . 2 2 12 12 TYR CB C 13 40.158 0.250 . . . . . . . . . . 6551 2 114 . 2 2 12 12 TYR CD1 C 13 133.706 0.338 . . . . . . . . . . 6551 2 115 . 2 2 12 12 TYR CD2 C 13 133.706 0.338 . . . . . . . . . . 6551 2 116 . 2 2 12 12 TYR CE1 C 13 117.764 0.250 . . . . . . . . . . 6551 2 117 . 2 2 12 12 TYR CE2 C 13 117.764 0.250 . . . . . . . . . . 6551 2 118 . 2 2 12 12 TYR N N 15 118.149 0.250 . . . . . . . . . . 6551 2 119 . 2 2 13 13 ASN H H 1 8.885 0.025 . . . . . . . . . . 6551 2 120 . 2 2 13 13 ASN HA H 1 4.953 0.015 . . . . . . . . . . 6551 2 121 . 2 2 13 13 ASN HB2 H 1 2.856 0.004 . . . . . . . . . . 6551 2 122 . 2 2 13 13 ASN HB3 H 1 2.759 0.009 . . . . . . . . . . 6551 2 123 . 2 2 13 13 ASN HD21 H 1 8.249 0.025 . . . . . . . . . . 6551 2 124 . 2 2 13 13 ASN HD22 H 1 7.166 0.025 . . . . . . . . . . 6551 2 125 . 2 2 13 13 ASN CA C 13 50.968 0.250 . . . . . . . . . . 6551 2 126 . 2 2 13 13 ASN CB C 13 38.570 0.250 . . . . . . . . . . 6551 2 127 . 2 2 13 13 ASN N N 15 123.650 0.250 . . . . . . . . . . 6551 2 128 . 2 2 13 13 ASN ND2 N 15 114.592 0.250 . . . . . . . . . . 6551 2 129 . 2 2 14 14 PRO HA H 1 4.334 0.011 . . . . . . . . . . 6551 2 130 . 2 2 14 14 PRO HB2 H 1 2.359 0.003 . . . . . . . . . . 6551 2 131 . 2 2 14 14 PRO HB3 H 1 2.045 0.012 . . . . . . . . . . 6551 2 132 . 2 2 14 14 PRO HG2 H 1 2.124 0.004 . . . . . . . . . . 6551 2 133 . 2 2 14 14 PRO HG3 H 1 2.124 0.004 . . . . . . . . . . 6551 2 134 . 2 2 14 14 PRO HD2 H 1 4.062 0.012 . . . . . . . . . . 6551 2 135 . 2 2 14 14 PRO HD3 H 1 4.062 0.012 . . . . . . . . . . 6551 2 136 . 2 2 14 14 PRO CA C 13 65.330 0.250 . . . . . . . . . . 6551 2 137 . 2 2 14 14 PRO CB C 13 32.132 0.250 . . . . . . . . . . 6551 2 138 . 2 2 14 14 PRO CG C 13 27.572 0.250 . . . . . . . . . . 6551 2 139 . 2 2 14 14 PRO CD C 13 51.226 0.250 . . . . . . . . . . 6551 2 140 . 2 2 15 15 GLY H H 1 8.774 0.025 . . . . . . . . . . 6551 2 141 . 2 2 15 15 GLY HA2 H 1 4.051 0.012 . . . . . . . . . . 6551 2 142 . 2 2 15 15 GLY HA3 H 1 3.913 0.017 . . . . . . . . . . 6551 2 143 . 2 2 15 15 GLY CA C 13 48.249 0.250 . . . . . . . . . . 6551 2 144 . 2 2 15 15 GLY N N 15 105.407 0.250 . . . . . . . . . . 6551 2 145 . 2 2 16 16 PRO HA H 1 4.202 0.011 . . . . . . . . . . 6551 2 146 . 2 2 16 16 PRO HB2 H 1 2.535 0.006 . . . . . . . . . . 6551 2 147 . 2 2 16 16 PRO HB3 H 1 1.889 0.008 . . . . . . . . . . 6551 2 148 . 2 2 16 16 PRO HG2 H 1 1.780 0.015 . . . . . . . . . . 6551 2 149 . 2 2 16 16 PRO HG3 H 1 1.780 0.015 . . . . . . . . . . 6551 2 150 . 2 2 16 16 PRO HD2 H 1 3.667 0.015 . . . . . . . . . . 6551 2 151 . 2 2 16 16 PRO HD3 H 1 3.537 0.010 . . . . . . . . . . 6551 2 152 . 2 2 16 16 PRO CA C 13 65.346 0.250 . . . . . . . . . . 6551 2 153 . 2 2 16 16 PRO CB C 13 33.610 0.270 . . . . . . . . . . 6551 2 154 . 2 2 16 16 PRO CG C 13 28.140 0.250 . . . . . . . . . . 6551 2 155 . 2 2 16 16 PRO CD C 13 51.093 0.250 . . . . . . . . . . 6551 2 156 . 2 2 17 17 GLN H H 1 7.252 0.025 . . . . . . . . . . 6551 2 157 . 2 2 17 17 GLN HA H 1 3.879 0.021 . . . . . . . . . . 6551 2 158 . 2 2 17 17 GLN HB2 H 1 2.074 0.015 . . . . . . . . . . 6551 2 159 . 2 2 17 17 GLN HB3 H 1 2.074 0.015 . . . . . . . . . . 6551 2 160 . 2 2 17 17 GLN HG2 H 1 2.199 0.016 . . . . . . . . . . 6551 2 161 . 2 2 17 17 GLN HG3 H 1 1.878 0.014 . . . . . . . . . . 6551 2 162 . 2 2 17 17 GLN HE21 H 1 6.853 0.025 . . . . . . . . . . 6551 2 163 . 2 2 17 17 GLN HE22 H 1 6.581 0.025 . . . . . . . . . . 6551 2 164 . 2 2 17 17 GLN CA C 13 59.979 0.250 . . . . . . . . . . 6551 2 165 . 2 2 17 17 GLN CB C 13 29.865 0.250 . . . . . . . . . . 6551 2 166 . 2 2 17 17 GLN CG C 13 34.508 0.250 . . . . . . . . . . 6551 2 167 . 2 2 17 17 GLN N N 15 115.540 0.250 . . . . . . . . . . 6551 2 168 . 2 2 17 17 GLN NE2 N 15 108.628 0.250 . . . . . . . . . . 6551 2 169 . 2 2 18 18 ASP H H 1 8.795 0.025 . . . . . . . . . . 6551 2 170 . 2 2 18 18 ASP HA H 1 4.343 0.005 . . . . . . . . . . 6551 2 171 . 2 2 18 18 ASP HB2 H 1 2.930 0.017 . . . . . . . . . . 6551 2 172 . 2 2 18 18 ASP HB3 H 1 2.486 0.004 . . . . . . . . . . 6551 2 173 . 2 2 18 18 ASP CA C 13 57.185 0.250 . . . . . . . . . . 6551 2 174 . 2 2 18 18 ASP CB C 13 40.326 0.250 . . . . . . . . . . 6551 2 175 . 2 2 18 18 ASP N N 15 118.430 0.250 . . . . . . . . . . 6551 2 176 . 2 2 19 19 PHE H H 1 7.501 0.025 . . . . . . . . . . 6551 2 177 . 2 2 19 19 PHE HA H 1 3.899 0.005 . . . . . . . . . . 6551 2 178 . 2 2 19 19 PHE HB2 H 1 3.207 0.010 . . . . . . . . . . 6551 2 179 . 2 2 19 19 PHE HB3 H 1 3.207 0.010 . . . . . . . . . . 6551 2 180 . 2 2 19 19 PHE HD1 H 1 6.948 0.007 . . . . . . . . . . 6551 2 181 . 2 2 19 19 PHE HD2 H 1 6.948 0.007 . . . . . . . . . . 6551 2 182 . 2 2 19 19 PHE HE1 H 1 6.800 0.012 . . . . . . . . . . 6551 2 183 . 2 2 19 19 PHE HE2 H 1 6.800 0.012 . . . . . . . . . . 6551 2 184 . 2 2 19 19 PHE HZ H 1 6.915 0.015 . . . . . . . . . . 6551 2 185 . 2 2 19 19 PHE CA C 13 60.995 0.250 . . . . . . . . . . 6551 2 186 . 2 2 19 19 PHE CB C 13 40.291 0.250 . . . . . . . . . . 6551 2 187 . 2 2 19 19 PHE CD1 C 13 133.469 0.366 . . . . . . . . . . 6551 2 188 . 2 2 19 19 PHE CD2 C 13 133.469 0.366 . . . . . . . . . . 6551 2 189 . 2 2 19 19 PHE CE1 C 13 128.130 0.250 . . . . . . . . . . 6551 2 190 . 2 2 19 19 PHE CE2 C 13 128.130 0.250 . . . . . . . . . . 6551 2 191 . 2 2 19 19 PHE CZ C 13 129.524 0.250 . . . . . . . . . . 6551 2 192 . 2 2 19 19 PHE N N 15 118.823 0.250 . . . . . . . . . . 6551 2 193 . 2 2 20 20 LEU H H 1 8.364 0.025 . . . . . . . . . . 6551 2 194 . 2 2 20 20 LEU HA H 1 3.990 0.012 . . . . . . . . . . 6551 2 195 . 2 2 20 20 LEU HB2 H 1 2.080 0.009 . . . . . . . . . . 6551 2 196 . 2 2 20 20 LEU HB3 H 1 1.731 0.008 . . . . . . . . . . 6551 2 197 . 2 2 20 20 LEU HG H 1 0.494 0.006 . . . . . . . . . . 6551 2 198 . 2 2 20 20 LEU HD11 H 1 0.940 0.005 . . . . . . . . . . 6551 2 199 . 2 2 20 20 LEU HD12 H 1 0.940 0.005 . . . . . . . . . . 6551 2 200 . 2 2 20 20 LEU HD13 H 1 0.940 0.005 . . . . . . . . . . 6551 2 201 . 2 2 20 20 LEU HD21 H 1 1.562 0.015 . . . . . . . . . . 6551 2 202 . 2 2 20 20 LEU HD22 H 1 1.562 0.015 . . . . . . . . . . 6551 2 203 . 2 2 20 20 LEU HD23 H 1 1.562 0.015 . . . . . . . . . . 6551 2 204 . 2 2 20 20 LEU CA C 13 58.319 0.250 . . . . . . . . . . 6551 2 205 . 2 2 20 20 LEU CB C 13 43.032 0.250 . . . . . . . . . . 6551 2 206 . 2 2 20 20 LEU CG C 13 26.617 0.250 . . . . . . . . . . 6551 2 207 . 2 2 20 20 LEU CD1 C 13 24.912 0.250 . . . . . . . . . . 6551 2 208 . 2 2 20 20 LEU CD2 C 13 26.517 0.258 . . . . . . . . . . 6551 2 209 . 2 2 20 20 LEU N N 15 118.667 0.250 . . . . . . . . . . 6551 2 210 . 2 2 21 21 LEU H H 1 7.961 0.025 . . . . . . . . . . 6551 2 211 . 2 2 21 21 LEU HA H 1 3.760 0.006 . . . . . . . . . . 6551 2 212 . 2 2 21 21 LEU HB2 H 1 1.743 0.025 . . . . . . . . . . 6551 2 213 . 2 2 21 21 LEU HB3 H 1 1.454 0.015 . . . . . . . . . . 6551 2 214 . 2 2 21 21 LEU HG H 1 1.776 0.008 . . . . . . . . . . 6551 2 215 . 2 2 21 21 LEU HD11 H 1 0.795 0.003 . . . . . . . . . . 6551 2 216 . 2 2 21 21 LEU HD12 H 1 0.795 0.003 . . . . . . . . . . 6551 2 217 . 2 2 21 21 LEU HD13 H 1 0.795 0.003 . . . . . . . . . . 6551 2 218 . 2 2 21 21 LEU HD21 H 1 0.712 0.019 . . . . . . . . . . 6551 2 219 . 2 2 21 21 LEU HD22 H 1 0.712 0.019 . . . . . . . . . . 6551 2 220 . 2 2 21 21 LEU HD23 H 1 0.712 0.019 . . . . . . . . . . 6551 2 221 . 2 2 21 21 LEU CA C 13 56.271 0.250 . . . . . . . . . . 6551 2 222 . 2 2 21 21 LEU CB C 13 41.803 0.250 . . . . . . . . . . 6551 2 223 . 2 2 21 21 LEU CG C 13 27.804 0.250 . . . . . . . . . . 6551 2 224 . 2 2 21 21 LEU CD1 C 13 25.146 0.250 . . . . . . . . . . 6551 2 225 . 2 2 21 21 LEU CD2 C 13 22.553 0.250 . . . . . . . . . . 6551 2 226 . 2 2 21 21 LEU N N 15 113.562 0.250 . . . . . . . . . . 6551 2 227 . 2 2 22 22 LYS H H 1 7.166 0.025 . . . . . . . . . . 6551 2 228 . 2 2 22 22 LYS HA H 1 4.206 0.006 . . . . . . . . . . 6551 2 229 . 2 2 22 22 LYS HB2 H 1 1.851 0.015 . . . . . . . . . . 6551 2 230 . 2 2 22 22 LYS HB3 H 1 1.734 0.013 . . . . . . . . . . 6551 2 231 . 2 2 22 22 LYS HG2 H 1 1.386 0.008 . . . . . . . . . . 6551 2 232 . 2 2 22 22 LYS HG3 H 1 1.253 0.005 . . . . . . . . . . 6551 2 233 . 2 2 22 22 LYS HD2 H 1 1.508 0.025 . . . . . . . . . . 6551 2 234 . 2 2 22 22 LYS HD3 H 1 1.356 0.015 . . . . . . . . . . 6551 2 235 . 2 2 22 22 LYS HE2 H 1 2.822 0.017 . . . . . . . . . . 6551 2 236 . 2 2 22 22 LYS HE3 H 1 2.822 0.017 . . . . . . . . . . 6551 2 237 . 2 2 22 22 LYS CA C 13 54.527 0.250 . . . . . . . . . . 6551 2 238 . 2 2 22 22 LYS CB C 13 33.605 0.250 . . . . . . . . . . 6551 2 239 . 2 2 22 22 LYS CG C 13 24.573 0.250 . . . . . . . . . . 6551 2 240 . 2 2 22 22 LYS CD C 13 29.211 0.250 . . . . . . . . . . 6551 2 241 . 2 2 22 22 LYS CE C 13 42.326 0.250 . . . . . . . . . . 6551 2 242 . 2 2 22 22 LYS N N 15 116.348 0.250 . . . . . . . . . . 6551 2 243 . 2 2 23 23 MET H H 1 7.884 0.025 . . . . . . . . . . 6551 2 244 . 2 2 23 23 MET HA H 1 3.594 0.010 . . . . . . . . . . 6551 2 245 . 2 2 23 23 MET HB2 H 1 2.042 0.025 . . . . . . . . . . 6551 2 246 . 2 2 23 23 MET HB3 H 1 2.042 0.025 . . . . . . . . . . 6551 2 247 . 2 2 23 23 MET HG2 H 1 3.301 0.016 . . . . . . . . . . 6551 2 248 . 2 2 23 23 MET HG3 H 1 2.289 0.013 . . . . . . . . . . 6551 2 249 . 2 2 23 23 MET HE1 H 1 2.188 0.015 . . . . . . . . . . 6551 2 250 . 2 2 23 23 MET HE2 H 1 2.188 0.015 . . . . . . . . . . 6551 2 251 . 2 2 23 23 MET HE3 H 1 2.188 0.015 . . . . . . . . . . 6551 2 252 . 2 2 23 23 MET CA C 13 55.177 0.250 . . . . . . . . . . 6551 2 253 . 2 2 23 23 MET CB C 13 32.397 0.250 . . . . . . . . . . 6551 2 254 . 2 2 23 23 MET CG C 13 34.073 0.250 . . . . . . . . . . 6551 2 255 . 2 2 23 23 MET CE C 13 18.533 0.250 . . . . . . . . . . 6551 2 256 . 2 2 23 23 MET N N 15 122.011 0.250 . . . . . . . . . . 6551 2 257 . 2 2 24 24 PRO HA H 1 3.925 0.013 . . . . . . . . . . 6551 2 258 . 2 2 24 24 PRO HB2 H 1 1.993 0.001 . . . . . . . . . . 6551 2 259 . 2 2 24 24 PRO HB3 H 1 1.496 0.013 . . . . . . . . . . 6551 2 260 . 2 2 24 24 PRO HG2 H 1 1.538 0.004 . . . . . . . . . . 6551 2 261 . 2 2 24 24 PRO HG3 H 1 1.351 0.013 . . . . . . . . . . 6551 2 262 . 2 2 24 24 PRO HD2 H 1 2.508 0.014 . . . . . . . . . . 6551 2 263 . 2 2 24 24 PRO HD3 H 1 1.829 0.008 . . . . . . . . . . 6551 2 264 . 2 2 24 24 PRO CA C 13 63.636 0.250 . . . . . . . . . . 6551 2 265 . 2 2 24 24 PRO CB C 13 32.144 0.250 . . . . . . . . . . 6551 2 266 . 2 2 24 24 PRO CG C 13 28.306 0.250 . . . . . . . . . . 6551 2 267 . 2 2 24 24 PRO CD C 13 48.951 0.250 . . . . . . . . . . 6551 2 268 . 2 2 25 25 GLY H H 1 7.845 0.025 . . . . . . . . . . 6551 2 269 . 2 2 25 25 GLY HA2 H 1 4.417 0.016 . . . . . . . . . . 6551 2 270 . 2 2 25 25 GLY HA3 H 1 3.284 0.015 . . . . . . . . . . 6551 2 271 . 2 2 25 25 GLY CA C 13 44.827 0.250 . . . . . . . . . . 6551 2 272 . 2 2 25 25 GLY N N 15 107.063 0.250 . . . . . . . . . . 6551 2 273 . 2 2 26 26 VAL H H 1 7.373 0.025 . . . . . . . . . . 6551 2 274 . 2 2 26 26 VAL HA H 1 4.260 0.006 . . . . . . . . . . 6551 2 275 . 2 2 26 26 VAL HB H 1 2.126 0.011 . . . . . . . . . . 6551 2 276 . 2 2 26 26 VAL HG11 H 1 0.736 0.008 . . . . . . . . . . 6551 2 277 . 2 2 26 26 VAL HG12 H 1 0.736 0.008 . . . . . . . . . . 6551 2 278 . 2 2 26 26 VAL HG13 H 1 0.736 0.008 . . . . . . . . . . 6551 2 279 . 2 2 26 26 VAL HG21 H 1 0.655 0.003 . . . . . . . . . . 6551 2 280 . 2 2 26 26 VAL HG22 H 1 0.655 0.003 . . . . . . . . . . 6551 2 281 . 2 2 26 26 VAL HG23 H 1 0.655 0.003 . . . . . . . . . . 6551 2 282 . 2 2 26 26 VAL CA C 13 61.677 0.250 . . . . . . . . . . 6551 2 283 . 2 2 26 26 VAL CB C 13 31.627 0.250 . . . . . . . . . . 6551 2 284 . 2 2 26 26 VAL CG1 C 13 22.525 0.250 . . . . . . . . . . 6551 2 285 . 2 2 26 26 VAL CG2 C 13 22.693 0.250 . . . . . . . . . . 6551 2 286 . 2 2 26 26 VAL N N 15 119.576 0.250 . . . . . . . . . . 6551 2 287 . 2 2 27 27 ASN H H 1 9.246 0.025 . . . . . . . . . . 6551 2 288 . 2 2 27 27 ASN HA H 1 4.744 0.028 . . . . . . . . . . 6551 2 289 . 2 2 27 27 ASN HB2 H 1 3.056 0.004 . . . . . . . . . . 6551 2 290 . 2 2 27 27 ASN HB3 H 1 2.743 0.013 . . . . . . . . . . 6551 2 291 . 2 2 27 27 ASN HD21 H 1 7.631 0.025 . . . . . . . . . . 6551 2 292 . 2 2 27 27 ASN HD22 H 1 6.466 0.025 . . . . . . . . . . 6551 2 293 . 2 2 27 27 ASN CA C 13 51.559 0.250 . . . . . . . . . . 6551 2 294 . 2 2 27 27 ASN CB C 13 40.668 0.250 . . . . . . . . . . 6551 2 295 . 2 2 27 27 ASN N N 15 123.811 0.250 . . . . . . . . . . 6551 2 296 . 2 2 27 27 ASN ND2 N 15 115.000 0.250 . . . . . . . . . . 6551 2 297 . 2 2 28 28 ALA H H 1 8.504 0.025 . . . . . . . . . . 6551 2 298 . 2 2 28 28 ALA HA H 1 4.034 0.007 . . . . . . . . . . 6551 2 299 . 2 2 28 28 ALA HB1 H 1 1.379 0.007 . . . . . . . . . . 6551 2 300 . 2 2 28 28 ALA HB2 H 1 1.379 0.007 . . . . . . . . . . 6551 2 301 . 2 2 28 28 ALA HB3 H 1 1.379 0.007 . . . . . . . . . . 6551 2 302 . 2 2 28 28 ALA CA C 13 55.010 0.250 . . . . . . . . . . 6551 2 303 . 2 2 28 28 ALA CB C 13 18.601 0.250 . . . . . . . . . . 6551 2 304 . 2 2 28 28 ALA N N 15 118.975 0.250 . . . . . . . . . . 6551 2 305 . 2 2 29 29 LYS H H 1 8.131 0.025 . . . . . . . . . . 6551 2 306 . 2 2 29 29 LYS HA H 1 4.233 0.013 . . . . . . . . . . 6551 2 307 . 2 2 29 29 LYS HB2 H 1 1.841 0.006 . . . . . . . . . . 6551 2 308 . 2 2 29 29 LYS HB3 H 1 1.757 0.025 . . . . . . . . . . 6551 2 309 . 2 2 29 29 LYS HG2 H 1 1.442 0.003 . . . . . . . . . . 6551 2 310 . 2 2 29 29 LYS HG3 H 1 1.353 0.010 . . . . . . . . . . 6551 2 311 . 2 2 29 29 LYS HD2 H 1 1.631 0.006 . . . . . . . . . . 6551 2 312 . 2 2 29 29 LYS HD3 H 1 1.631 0.006 . . . . . . . . . . 6551 2 313 . 2 2 29 29 LYS HE2 H 1 2.936 0.015 . . . . . . . . . . 6551 2 314 . 2 2 29 29 LYS HE3 H 1 2.936 0.015 . . . . . . . . . . 6551 2 315 . 2 2 29 29 LYS CA C 13 57.809 0.250 . . . . . . . . . . 6551 2 316 . 2 2 29 29 LYS CB C 13 32.759 0.250 . . . . . . . . . . 6551 2 317 . 2 2 29 29 LYS CG C 13 25.119 0.250 . . . . . . . . . . 6551 2 318 . 2 2 29 29 LYS CD C 13 29.082 0.250 . . . . . . . . . . 6551 2 319 . 2 2 29 29 LYS CE C 13 42.152 0.250 . . . . . . . . . . 6551 2 320 . 2 2 29 29 LYS N N 15 115.911 0.250 . . . . . . . . . . 6551 2 321 . 2 2 30 30 ASN H H 1 8.129 0.025 . . . . . . . . . . 6551 2 322 . 2 2 30 30 ASN HA H 1 4.763 0.025 . . . . . . . . . . 6551 2 323 . 2 2 30 30 ASN HB2 H 1 3.108 0.007 . . . . . . . . . . 6551 2 324 . 2 2 30 30 ASN HB3 H 1 2.758 0.015 . . . . . . . . . . 6551 2 325 . 2 2 30 30 ASN HD21 H 1 7.716 0.025 . . . . . . . . . . 6551 2 326 . 2 2 30 30 ASN HD22 H 1 7.440 0.025 . . . . . . . . . . 6551 2 327 . 2 2 30 30 ASN CA C 13 53.099 0.250 . . . . . . . . . . 6551 2 328 . 2 2 30 30 ASN CB C 13 39.480 0.250 . . . . . . . . . . 6551 2 329 . 2 2 30 30 ASN N N 15 117.113 0.250 . . . . . . . . . . 6551 2 330 . 2 2 30 30 ASN ND2 N 15 108.750 0.250 . . . . . . . . . . 6551 2 331 . 2 2 31 31 CYS H H 1 8.023 0.025 . . . . . . . . . . 6551 2 332 . 2 2 31 31 CYS HA H 1 3.889 0.003 . . . . . . . . . . 6551 2 333 . 2 2 31 31 CYS HB2 H 1 2.939 0.008 . . . . . . . . . . 6551 2 334 . 2 2 31 31 CYS HB3 H 1 2.521 0.006 . . . . . . . . . . 6551 2 335 . 2 2 31 31 CYS CA C 13 61.468 0.250 . . . . . . . . . . 6551 2 336 . 2 2 31 31 CYS CB C 13 26.584 0.250 . . . . . . . . . . 6551 2 337 . 2 2 31 31 CYS N N 15 118.726 0.250 . . . . . . . . . . 6551 2 338 . 2 2 32 32 ARG H H 1 8.000 0.025 . . . . . . . . . . 6551 2 339 . 2 2 32 32 ARG HA H 1 3.673 0.008 . . . . . . . . . . 6551 2 340 . 2 2 32 32 ARG HB2 H 1 1.810 0.004 . . . . . . . . . . 6551 2 341 . 2 2 32 32 ARG HB3 H 1 1.702 0.004 . . . . . . . . . . 6551 2 342 . 2 2 32 32 ARG HG2 H 1 1.729 0.015 . . . . . . . . . . 6551 2 343 . 2 2 32 32 ARG HG3 H 1 1.456 0.015 . . . . . . . . . . 6551 2 344 . 2 2 32 32 ARG HD2 H 1 3.093 0.008 . . . . . . . . . . 6551 2 345 . 2 2 32 32 ARG HD3 H 1 3.093 0.004 . . . . . . . . . . 6551 2 346 . 2 2 32 32 ARG CA C 13 59.712 0.250 . . . . . . . . . . 6551 2 347 . 2 2 32 32 ARG CB C 13 29.013 0.250 . . . . . . . . . . 6551 2 348 . 2 2 32 32 ARG CG C 13 28.050 0.250 . . . . . . . . . . 6551 2 349 . 2 2 32 32 ARG CD C 13 43.157 0.272 . . . . . . . . . . 6551 2 350 . 2 2 32 32 ARG N N 15 121.720 0.250 . . . . . . . . . . 6551 2 351 . 2 2 33 33 SER H H 1 7.781 0.025 . . . . . . . . . . 6551 2 352 . 2 2 33 33 SER HA H 1 4.223 0.008 . . . . . . . . . . 6551 2 353 . 2 2 33 33 SER HB2 H 1 3.931 0.007 . . . . . . . . . . 6551 2 354 . 2 2 33 33 SER HB3 H 1 3.931 0.007 . . . . . . . . . . 6551 2 355 . 2 2 33 33 SER CA C 13 61.618 0.250 . . . . . . . . . . 6551 2 356 . 2 2 33 33 SER CB C 13 62.600 0.250 . . . . . . . . . . 6551 2 357 . 2 2 33 33 SER N N 15 114.836 0.250 . . . . . . . . . . 6551 2 358 . 2 2 34 34 LEU H H 1 7.149 0.037 . . . . . . . . . . 6551 2 359 . 2 2 34 34 LEU HA H 1 3.840 0.006 . . . . . . . . . . 6551 2 360 . 2 2 34 34 LEU HB2 H 1 1.607 0.011 . . . . . . . . . . 6551 2 361 . 2 2 34 34 LEU HB3 H 1 1.289 0.017 . . . . . . . . . . 6551 2 362 . 2 2 34 34 LEU HG H 1 1.438 0.008 . . . . . . . . . . 6551 2 363 . 2 2 34 34 LEU HD11 H 1 0.758 0.005 . . . . . . . . . . 6551 2 364 . 2 2 34 34 LEU HD12 H 1 0.758 0.005 . . . . . . . . . . 6551 2 365 . 2 2 34 34 LEU HD13 H 1 0.758 0.005 . . . . . . . . . . 6551 2 366 . 2 2 34 34 LEU HD21 H 1 0.651 0.010 . . . . . . . . . . 6551 2 367 . 2 2 34 34 LEU HD22 H 1 0.651 0.010 . . . . . . . . . . 6551 2 368 . 2 2 34 34 LEU HD23 H 1 0.651 0.010 . . . . . . . . . . 6551 2 369 . 2 2 34 34 LEU CA C 13 58.850 0.250 . . . . . . . . . . 6551 2 370 . 2 2 34 34 LEU CB C 13 42.382 0.250 . . . . . . . . . . 6551 2 371 . 2 2 34 34 LEU CG C 13 27.085 0.250 . . . . . . . . . . 6551 2 372 . 2 2 34 34 LEU CD1 C 13 26.636 0.250 . . . . . . . . . . 6551 2 373 . 2 2 34 34 LEU CD2 C 13 24.490 0.250 . . . . . . . . . . 6551 2 374 . 2 2 34 34 LEU N N 15 120.547 0.250 . . . . . . . . . . 6551 2 375 . 2 2 35 35 MET H H 1 7.663 0.029 . . . . . . . . . . 6551 2 376 . 2 2 35 35 MET HA H 1 3.530 0.010 . . . . . . . . . . 6551 2 377 . 2 2 35 35 MET HB2 H 1 1.746 0.015 . . . . . . . . . . 6551 2 378 . 2 2 35 35 MET HB3 H 1 1.550 0.025 . . . . . . . . . . 6551 2 379 . 2 2 35 35 MET HG2 H 1 0.463 0.013 . . . . . . . . . . 6551 2 380 . 2 2 35 35 MET HG3 H 1 2.146 0.019 . . . . . . . . . . 6551 2 381 . 2 2 35 35 MET HE1 H 1 1.193 0.003 . . . . . . . . . . 6551 2 382 . 2 2 35 35 MET HE2 H 1 1.193 0.003 . . . . . . . . . . 6551 2 383 . 2 2 35 35 MET HE3 H 1 1.193 0.003 . . . . . . . . . . 6551 2 384 . 2 2 35 35 MET CA C 13 58.975 0.250 . . . . . . . . . . 6551 2 385 . 2 2 35 35 MET CB C 13 33.736 0.250 . . . . . . . . . . 6551 2 386 . 2 2 35 35 MET CG C 13 31.845 0.250 . . . . . . . . . . 6551 2 387 . 2 2 35 35 MET CE C 13 15.878 0.250 . . . . . . . . . . 6551 2 388 . 2 2 35 35 MET N N 15 113.845 0.250 . . . . . . . . . . 6551 2 389 . 2 2 36 36 HIS H H 1 7.602 0.025 . . . . . . . . . . 6551 2 390 . 2 2 36 36 HIS HA H 1 4.478 0.023 . . . . . . . . . . 6551 2 391 . 2 2 36 36 HIS HB2 H 1 3.085 0.015 . . . . . . . . . . 6551 2 392 . 2 2 36 36 HIS HB3 H 1 2.957 0.015 . . . . . . . . . . 6551 2 393 . 2 2 36 36 HIS HD2 H 1 6.834 0.002 . . . . . . . . . . 6551 2 394 . 2 2 36 36 HIS CA C 13 57.363 0.250 . . . . . . . . . . 6551 2 395 . 2 2 36 36 HIS CB C 13 29.970 0.250 . . . . . . . . . . 6551 2 396 . 2 2 36 36 HIS CD2 C 13 122.787 0.250 . . . . . . . . . . 6551 2 397 . 2 2 36 36 HIS N N 15 112.460 0.250 . . . . . . . . . . 6551 2 398 . 2 2 37 37 HIS H H 1 7.686 0.025 . . . . . . . . . . 6551 2 399 . 2 2 37 37 HIS HA H 1 4.595 0.005 . . . . . . . . . . 6551 2 400 . 2 2 37 37 HIS HB2 H 1 3.247 0.003 . . . . . . . . . . 6551 2 401 . 2 2 37 37 HIS HB3 H 1 2.987 0.006 . . . . . . . . . . 6551 2 402 . 2 2 37 37 HIS HD2 H 1 7.216 0.007 . . . . . . . . . . 6551 2 403 . 2 2 37 37 HIS CA C 13 58.473 0.250 . . . . . . . . . . 6551 2 404 . 2 2 37 37 HIS CB C 13 32.678 0.250 . . . . . . . . . . 6551 2 405 . 2 2 37 37 HIS CD2 C 13 121.742 0.250 . . . . . . . . . . 6551 2 406 . 2 2 37 37 HIS N N 15 116.805 0.250 . . . . . . . . . . 6551 2 407 . 2 2 38 38 VAL H H 1 7.953 0.025 . . . . . . . . . . 6551 2 408 . 2 2 38 38 VAL HA H 1 4.437 0.002 . . . . . . . . . . 6551 2 409 . 2 2 38 38 VAL HB H 1 2.300 0.007 . . . . . . . . . . 6551 2 410 . 2 2 38 38 VAL HG11 H 1 1.139 0.005 . . . . . . . . . . 6551 2 411 . 2 2 38 38 VAL HG12 H 1 1.139 0.005 . . . . . . . . . . 6551 2 412 . 2 2 38 38 VAL HG13 H 1 1.139 0.005 . . . . . . . . . . 6551 2 413 . 2 2 38 38 VAL HG21 H 1 1.010 0.002 . . . . . . . . . . 6551 2 414 . 2 2 38 38 VAL HG22 H 1 1.010 0.002 . . . . . . . . . . 6551 2 415 . 2 2 38 38 VAL HG23 H 1 1.010 0.002 . . . . . . . . . . 6551 2 416 . 2 2 38 38 VAL CA C 13 60.584 0.250 . . . . . . . . . . 6551 2 417 . 2 2 38 38 VAL CB C 13 34.136 0.250 . . . . . . . . . . 6551 2 418 . 2 2 38 38 VAL CG1 C 13 23.069 0.250 . . . . . . . . . . 6551 2 419 . 2 2 38 38 VAL CG2 C 13 21.684 0.250 . . . . . . . . . . 6551 2 420 . 2 2 38 38 VAL N N 15 117.862 0.250 . . . . . . . . . . 6551 2 421 . 2 2 39 39 LYS H H 1 8.933 0.025 . . . . . . . . . . 6551 2 422 . 2 2 39 39 LYS HA H 1 3.946 0.010 . . . . . . . . . . 6551 2 423 . 2 2 39 39 LYS HB2 H 1 1.823 0.004 . . . . . . . . . . 6551 2 424 . 2 2 39 39 LYS HB3 H 1 1.466 0.008 . . . . . . . . . . 6551 2 425 . 2 2 39 39 LYS HG2 H 1 1.500 0.007 . . . . . . . . . . 6551 2 426 . 2 2 39 39 LYS HG3 H 1 1.174 0.006 . . . . . . . . . . 6551 2 427 . 2 2 39 39 LYS HD2 H 1 1.656 0.020 . . . . . . . . . . 6551 2 428 . 2 2 39 39 LYS HD3 H 1 1.656 0.020 . . . . . . . . . . 6551 2 429 . 2 2 39 39 LYS HE2 H 1 2.940 0.018 . . . . . . . . . . 6551 2 430 . 2 2 39 39 LYS HE3 H 1 2.940 0.018 . . . . . . . . . . 6551 2 431 . 2 2 39 39 LYS CA C 13 60.037 0.250 . . . . . . . . . . 6551 2 432 . 2 2 39 39 LYS CB C 13 34.141 0.250 . . . . . . . . . . 6551 2 433 . 2 2 39 39 LYS CG C 13 25.131 0.250 . . . . . . . . . . 6551 2 434 . 2 2 39 39 LYS CD C 13 29.245 0.250 . . . . . . . . . . 6551 2 435 . 2 2 39 39 LYS CE C 13 42.103 0.250 . . . . . . . . . . 6551 2 436 . 2 2 39 39 LYS N N 15 123.024 0.250 . . . . . . . . . . 6551 2 437 . 2 2 40 40 ASN H H 1 7.281 0.025 . . . . . . . . . . 6551 2 438 . 2 2 40 40 ASN HA H 1 3.087 0.010 . . . . . . . . . . 6551 2 439 . 2 2 40 40 ASN HB2 H 1 2.433 0.015 . . . . . . . . . . 6551 2 440 . 2 2 40 40 ASN HB3 H 1 2.345 0.023 . . . . . . . . . . 6551 2 441 . 2 2 40 40 ASN HD21 H 1 7.516 0.025 . . . . . . . . . . 6551 2 442 . 2 2 40 40 ASN HD22 H 1 6.952 0.025 . . . . . . . . . . 6551 2 443 . 2 2 40 40 ASN CA C 13 50.721 0.250 . . . . . . . . . . 6551 2 444 . 2 2 40 40 ASN CB C 13 39.551 0.250 . . . . . . . . . . 6551 2 445 . 2 2 40 40 ASN N N 15 112.845 0.250 . . . . . . . . . . 6551 2 446 . 2 2 40 40 ASN ND2 N 15 112.636 0.250 . . . . . . . . . . 6551 2 447 . 2 2 41 41 ILE H H 1 9.080 0.025 . . . . . . . . . . 6551 2 448 . 2 2 41 41 ILE HA H 1 3.494 0.010 . . . . . . . . . . 6551 2 449 . 2 2 41 41 ILE HB H 1 1.603 0.011 . . . . . . . . . . 6551 2 450 . 2 2 41 41 ILE HG12 H 1 0.969 0.007 . . . . . . . . . . 6551 2 451 . 2 2 41 41 ILE HG13 H 1 1.681 0.021 . . . . . . . . . . 6551 2 452 . 2 2 41 41 ILE HG21 H 1 0.815 0.006 . . . . . . . . . . 6551 2 453 . 2 2 41 41 ILE HG22 H 1 0.815 0.006 . . . . . . . . . . 6551 2 454 . 2 2 41 41 ILE HG23 H 1 0.815 0.006 . . . . . . . . . . 6551 2 455 . 2 2 41 41 ILE HD11 H 1 0.510 0.003 . . . . . . . . . . 6551 2 456 . 2 2 41 41 ILE HD12 H 1 0.510 0.003 . . . . . . . . . . 6551 2 457 . 2 2 41 41 ILE HD13 H 1 0.510 0.003 . . . . . . . . . . 6551 2 458 . 2 2 41 41 ILE CA C 13 64.681 0.250 . . . . . . . . . . 6551 2 459 . 2 2 41 41 ILE CB C 13 35.966 0.250 . . . . . . . . . . 6551 2 460 . 2 2 41 41 ILE CG1 C 13 30.544 0.250 . . . . . . . . . . 6551 2 461 . 2 2 41 41 ILE CG2 C 13 12.593 0.250 . . . . . . . . . . 6551 2 462 . 2 2 41 41 ILE CD1 C 13 17.221 0.250 . . . . . . . . . . 6551 2 463 . 2 2 41 41 ILE N N 15 120.951 0.250 . . . . . . . . . . 6551 2 464 . 2 2 42 42 ALA H H 1 6.960 0.025 . . . . . . . . . . 6551 2 465 . 2 2 42 42 ALA HA H 1 3.708 0.003 . . . . . . . . . . 6551 2 466 . 2 2 42 42 ALA HB1 H 1 0.875 0.004 . . . . . . . . . . 6551 2 467 . 2 2 42 42 ALA HB2 H 1 0.875 0.004 . . . . . . . . . . 6551 2 468 . 2 2 42 42 ALA HB3 H 1 0.875 0.004 . . . . . . . . . . 6551 2 469 . 2 2 42 42 ALA CA C 13 54.993 0.250 . . . . . . . . . . 6551 2 470 . 2 2 42 42 ALA CB C 13 17.560 0.250 . . . . . . . . . . 6551 2 471 . 2 2 42 42 ALA N N 15 119.795 0.250 . . . . . . . . . . 6551 2 472 . 2 2 43 43 GLU H H 1 8.224 0.025 . . . . . . . . . . 6551 2 473 . 2 2 43 43 GLU HA H 1 3.978 0.011 . . . . . . . . . . 6551 2 474 . 2 2 43 43 GLU HB2 H 1 2.166 0.009 . . . . . . . . . . 6551 2 475 . 2 2 43 43 GLU HB3 H 1 2.038 0.004 . . . . . . . . . . 6551 2 476 . 2 2 43 43 GLU HG2 H 1 2.613 0.002 . . . . . . . . . . 6551 2 477 . 2 2 43 43 GLU HG3 H 1 2.324 0.011 . . . . . . . . . . 6551 2 478 . 2 2 43 43 GLU CA C 13 59.297 0.250 . . . . . . . . . . 6551 2 479 . 2 2 43 43 GLU CB C 13 29.830 0.250 . . . . . . . . . . 6551 2 480 . 2 2 43 43 GLU CG C 13 37.581 0.250 . . . . . . . . . . 6551 2 481 . 2 2 43 43 GLU N N 15 118.281 0.250 . . . . . . . . . . 6551 2 482 . 2 2 44 44 LEU H H 1 7.887 0.025 . . . . . . . . . . 6551 2 483 . 2 2 44 44 LEU HA H 1 4.009 0.008 . . . . . . . . . . 6551 2 484 . 2 2 44 44 LEU HB2 H 1 1.993 0.010 . . . . . . . . . . 6551 2 485 . 2 2 44 44 LEU HB3 H 1 1.847 0.008 . . . . . . . . . . 6551 2 486 . 2 2 44 44 LEU HG H 1 1.823 0.015 . . . . . . . . . . 6551 2 487 . 2 2 44 44 LEU HD11 H 1 1.006 0.002 . . . . . . . . . . 6551 2 488 . 2 2 44 44 LEU HD12 H 1 1.006 0.002 . . . . . . . . . . 6551 2 489 . 2 2 44 44 LEU HD13 H 1 1.006 0.002 . . . . . . . . . . 6551 2 490 . 2 2 44 44 LEU HD21 H 1 0.919 0.009 . . . . . . . . . . 6551 2 491 . 2 2 44 44 LEU HD22 H 1 0.919 0.009 . . . . . . . . . . 6551 2 492 . 2 2 44 44 LEU HD23 H 1 0.919 0.009 . . . . . . . . . . 6551 2 493 . 2 2 44 44 LEU CA C 13 57.920 0.250 . . . . . . . . . . 6551 2 494 . 2 2 44 44 LEU CB C 13 42.451 0.250 . . . . . . . . . . 6551 2 495 . 2 2 44 44 LEU CG C 13 26.677 0.250 . . . . . . . . . . 6551 2 496 . 2 2 44 44 LEU CD1 C 13 26.334 0.250 . . . . . . . . . . 6551 2 497 . 2 2 44 44 LEU CD2 C 13 26.247 0.250 . . . . . . . . . . 6551 2 498 . 2 2 44 44 LEU N N 15 119.777 0.250 . . . . . . . . . . 6551 2 499 . 2 2 45 45 ALA H H 1 7.607 0.025 . . . . . . . . . . 6551 2 500 . 2 2 45 45 ALA HA H 1 3.906 0.006 . . . . . . . . . . 6551 2 501 . 2 2 45 45 ALA HB1 H 1 1.329 0.003 . . . . . . . . . . 6551 2 502 . 2 2 45 45 ALA HB2 H 1 1.329 0.003 . . . . . . . . . . 6551 2 503 . 2 2 45 45 ALA HB3 H 1 1.329 0.003 . . . . . . . . . . 6551 2 504 . 2 2 45 45 ALA CA C 13 54.158 0.250 . . . . . . . . . . 6551 2 505 . 2 2 45 45 ALA CB C 13 18.819 0.250 . . . . . . . . . . 6551 2 506 . 2 2 45 45 ALA N N 15 116.733 0.250 . . . . . . . . . . 6551 2 507 . 2 2 46 46 ALA H H 1 7.403 0.025 . . . . . . . . . . 6551 2 508 . 2 2 46 46 ALA HA H 1 4.502 0.001 . . . . . . . . . . 6551 2 509 . 2 2 46 46 ALA HB1 H 1 1.520 0.004 . . . . . . . . . . 6551 2 510 . 2 2 46 46 ALA HB2 H 1 1.520 0.004 . . . . . . . . . . 6551 2 511 . 2 2 46 46 ALA HB3 H 1 1.520 0.004 . . . . . . . . . . 6551 2 512 . 2 2 46 46 ALA CA C 13 51.918 0.250 . . . . . . . . . . 6551 2 513 . 2 2 46 46 ALA CB C 13 19.764 0.250 . . . . . . . . . . 6551 2 514 . 2 2 46 46 ALA N N 15 118.122 0.250 . . . . . . . . . . 6551 2 515 . 2 2 47 47 LEU H H 1 7.012 0.025 . . . . . . . . . . 6551 2 516 . 2 2 47 47 LEU HA H 1 4.561 0.003 . . . . . . . . . . 6551 2 517 . 2 2 47 47 LEU HB2 H 1 1.865 0.007 . . . . . . . . . . 6551 2 518 . 2 2 47 47 LEU HB3 H 1 1.523 0.010 . . . . . . . . . . 6551 2 519 . 2 2 47 47 LEU HG H 1 2.096 0.007 . . . . . . . . . . 6551 2 520 . 2 2 47 47 LEU CA C 13 54.842 0.250 . . . . . . . . . . 6551 2 521 . 2 2 47 47 LEU CB C 13 43.326 0.250 . . . . . . . . . . 6551 2 522 . 2 2 47 47 LEU CG C 13 26.478 0.250 . . . . . . . . . . 6551 2 523 . 2 2 47 47 LEU CD1 C 13 25.221 0.250 . . . . . . . . . . 6551 2 524 . 2 2 47 47 LEU CD2 C 13 22.904 0.250 . . . . . . . . . . 6551 2 525 . 2 2 47 47 LEU N N 15 118.614 0.250 . . . . . . . . . . 6551 2 526 . 2 2 47 47 LEU HD11 H 1 0.837 0.015 . . . . . . . . . . 6551 2 527 . 2 2 47 47 LEU HD12 H 1 0.837 0.015 . . . . . . . . . . 6551 2 528 . 2 2 47 47 LEU HD13 H 1 0.837 0.015 . . . . . . . . . . 6551 2 529 . 2 2 47 47 LEU HD21 H 1 0.837 0.015 . . . . . . . . . . 6551 2 530 . 2 2 47 47 LEU HD22 H 1 0.837 0.015 . . . . . . . . . . 6551 2 531 . 2 2 47 47 LEU HD23 H 1 0.837 0.015 . . . . . . . . . . 6551 2 532 . 2 2 48 48 SER H H 1 9.549 0.025 . . . . . . . . . . 6551 2 533 . 2 2 48 48 SER HA H 1 4.585 0.014 . . . . . . . . . . 6551 2 534 . 2 2 48 48 SER HB2 H 1 4.318 0.028 . . . . . . . . . . 6551 2 535 . 2 2 48 48 SER HB3 H 1 4.318 0.028 . . . . . . . . . . 6551 2 536 . 2 2 48 48 SER CA C 13 57.176 0.250 . . . . . . . . . . 6551 2 537 . 2 2 48 48 SER CB C 13 65.380 0.250 . . . . . . . . . . 6551 2 538 . 2 2 48 48 SER N N 15 119.407 0.250 . . . . . . . . . . 6551 2 539 . 2 2 49 49 GLN H H 1 8.742 0.025 . . . . . . . . . . 6551 2 540 . 2 2 49 49 GLN HA H 1 3.571 0.005 . . . . . . . . . . 6551 2 541 . 2 2 49 49 GLN HB2 H 1 1.519 0.006 . . . . . . . . . . 6551 2 542 . 2 2 49 49 GLN HB3 H 1 1.030 0.007 . . . . . . . . . . 6551 2 543 . 2 2 49 49 GLN HG2 H 1 2.012 0.002 . . . . . . . . . . 6551 2 544 . 2 2 49 49 GLN HG3 H 1 1.652 0.005 . . . . . . . . . . 6551 2 545 . 2 2 49 49 GLN HE21 H 1 7.217 0.025 . . . . . . . . . . 6551 2 546 . 2 2 49 49 GLN HE22 H 1 6.572 0.025 . . . . . . . . . . 6551 2 547 . 2 2 49 49 GLN CA C 13 60.321 0.250 . . . . . . . . . . 6551 2 548 . 2 2 49 49 GLN CB C 13 27.982 0.250 . . . . . . . . . . 6551 2 549 . 2 2 49 49 GLN CG C 13 33.915 0.250 . . . . . . . . . . 6551 2 550 . 2 2 49 49 GLN N N 15 121.982 0.250 . . . . . . . . . . 6551 2 551 . 2 2 49 49 GLN NE2 N 15 110.047 0.250 . . . . . . . . . . 6551 2 552 . 2 2 50 50 ASP H H 1 8.462 0.025 . . . . . . . . . . 6551 2 553 . 2 2 50 50 ASP HA H 1 4.262 0.005 . . . . . . . . . . 6551 2 554 . 2 2 50 50 ASP HB2 H 1 2.549 0.007 . . . . . . . . . . 6551 2 555 . 2 2 50 50 ASP HB3 H 1 2.483 0.001 . . . . . . . . . . 6551 2 556 . 2 2 50 50 ASP CA C 13 57.594 0.250 . . . . . . . . . . 6551 2 557 . 2 2 50 50 ASP CB C 13 40.276 0.250 . . . . . . . . . . 6551 2 558 . 2 2 50 50 ASP N N 15 120.162 0.250 . . . . . . . . . . 6551 2 559 . 2 2 51 51 GLU H H 1 8.009 0.025 . . . . . . . . . . 6551 2 560 . 2 2 51 51 GLU HA H 1 3.992 0.002 . . . . . . . . . . 6551 2 561 . 2 2 51 51 GLU HB2 H 1 2.172 0.015 . . . . . . . . . . 6551 2 562 . 2 2 51 51 GLU HB3 H 1 2.034 0.025 . . . . . . . . . . 6551 2 563 . 2 2 51 51 GLU HG2 H 1 2.247 0.015 . . . . . . . . . . 6551 2 564 . 2 2 51 51 GLU HG3 H 1 2.325 0.006 . . . . . . . . . . 6551 2 565 . 2 2 51 51 GLU CA C 13 59.551 0.250 . . . . . . . . . . 6551 2 566 . 2 2 51 51 GLU CB C 13 30.097 0.250 . . . . . . . . . . 6551 2 567 . 2 2 51 51 GLU CG C 13 37.706 0.250 . . . . . . . . . . 6551 2 568 . 2 2 51 51 GLU N N 15 122.522 0.250 . . . . . . . . . . 6551 2 569 . 2 2 52 52 LEU H H 1 8.342 0.025 . . . . . . . . . . 6551 2 570 . 2 2 52 52 LEU HA H 1 3.942 0.006 . . . . . . . . . . 6551 2 571 . 2 2 52 52 LEU HB2 H 1 2.087 0.009 . . . . . . . . . . 6551 2 572 . 2 2 52 52 LEU HB3 H 1 1.343 0.023 . . . . . . . . . . 6551 2 573 . 2 2 52 52 LEU HG H 1 0.894 0.023 . . . . . . . . . . 6551 2 574 . 2 2 52 52 LEU HD11 H 1 1.093 0.005 . . . . . . . . . . 6551 2 575 . 2 2 52 52 LEU HD12 H 1 1.093 0.005 . . . . . . . . . . 6551 2 576 . 2 2 52 52 LEU HD13 H 1 1.093 0.005 . . . . . . . . . . 6551 2 577 . 2 2 52 52 LEU HD21 H 1 0.966 0.002 . . . . . . . . . . 6551 2 578 . 2 2 52 52 LEU HD22 H 1 0.966 0.002 . . . . . . . . . . 6551 2 579 . 2 2 52 52 LEU HD23 H 1 0.966 0.002 . . . . . . . . . . 6551 2 580 . 2 2 52 52 LEU CA C 13 58.166 0.250 . . . . . . . . . . 6551 2 581 . 2 2 52 52 LEU CB C 13 42.822 0.250 . . . . . . . . . . 6551 2 582 . 2 2 52 52 LEU CG C 13 27.306 0.250 . . . . . . . . . . 6551 2 583 . 2 2 52 52 LEU CD1 C 13 25.759 0.250 . . . . . . . . . . 6551 2 584 . 2 2 52 52 LEU CD2 C 13 21.449 0.250 . . . . . . . . . . 6551 2 585 . 2 2 52 52 LEU N N 15 118.809 0.250 . . . . . . . . . . 6551 2 586 . 2 2 53 53 THR H H 1 8.394 0.025 . . . . . . . . . . 6551 2 587 . 2 2 53 53 THR HA H 1 4.370 0.005 . . . . . . . . . . 6551 2 588 . 2 2 53 53 THR HB H 1 3.459 0.003 . . . . . . . . . . 6551 2 589 . 2 2 53 53 THR HG21 H 1 1.406 0.015 . . . . . . . . . . 6551 2 590 . 2 2 53 53 THR HG22 H 1 1.406 0.015 . . . . . . . . . . 6551 2 591 . 2 2 53 53 THR HG23 H 1 1.406 0.015 . . . . . . . . . . 6551 2 592 . 2 2 53 53 THR CA C 13 67.828 0.250 . . . . . . . . . . 6551 2 593 . 2 2 53 53 THR CB C 13 68.059 0.250 . . . . . . . . . . 6551 2 594 . 2 2 53 53 THR CG2 C 13 20.236 0.250 . . . . . . . . . . 6551 2 595 . 2 2 53 53 THR N N 15 119.251 0.250 . . . . . . . . . . 6551 2 596 . 2 2 54 54 SER H H 1 7.583 0.025 . . . . . . . . . . 6551 2 597 . 2 2 54 54 SER HA H 1 4.084 0.006 . . . . . . . . . . 6551 2 598 . 2 2 54 54 SER HB2 H 1 3.900 0.005 . . . . . . . . . . 6551 2 599 . 2 2 54 54 SER HB3 H 1 3.900 0.005 . . . . . . . . . . 6551 2 600 . 2 2 54 54 SER CA C 13 61.540 0.250 . . . . . . . . . . 6551 2 601 . 2 2 54 54 SER CB C 13 62.782 0.250 . . . . . . . . . . 6551 2 602 . 2 2 54 54 SER N N 15 116.890 0.250 . . . . . . . . . . 6551 2 603 . 2 2 55 55 ILE H H 1 7.589 0.025 . . . . . . . . . . 6551 2 604 . 2 2 55 55 ILE HA H 1 3.492 0.007 . . . . . . . . . . 6551 2 605 . 2 2 55 55 ILE HB H 1 1.462 0.008 . . . . . . . . . . 6551 2 606 . 2 2 55 55 ILE HG12 H 1 1.574 0.003 . . . . . . . . . . 6551 2 607 . 2 2 55 55 ILE HG13 H 1 0.455 0.008 . . . . . . . . . . 6551 2 608 . 2 2 55 55 ILE HG21 H 1 0.614 0.003 . . . . . . . . . . 6551 2 609 . 2 2 55 55 ILE HG22 H 1 0.614 0.003 . . . . . . . . . . 6551 2 610 . 2 2 55 55 ILE HG23 H 1 0.614 0.003 . . . . . . . . . . 6551 2 611 . 2 2 55 55 ILE HD11 H 1 0.607 0.005 . . . . . . . . . . 6551 2 612 . 2 2 55 55 ILE HD12 H 1 0.607 0.005 . . . . . . . . . . 6551 2 613 . 2 2 55 55 ILE HD13 H 1 0.607 0.005 . . . . . . . . . . 6551 2 614 . 2 2 55 55 ILE CA C 13 64.370 0.250 . . . . . . . . . . 6551 2 615 . 2 2 55 55 ILE CB C 13 39.486 0.250 . . . . . . . . . . 6551 2 616 . 2 2 55 55 ILE CG1 C 13 28.559 0.250 . . . . . . . . . . 6551 2 617 . 2 2 55 55 ILE CG2 C 13 17.656 0.250 . . . . . . . . . . 6551 2 618 . 2 2 55 55 ILE CD1 C 13 14.615 0.250 . . . . . . . . . . 6551 2 619 . 2 2 55 55 ILE N N 15 119.660 0.250 . . . . . . . . . . 6551 2 620 . 2 2 56 56 LEU H H 1 8.490 0.025 . . . . . . . . . . 6551 2 621 . 2 2 56 56 LEU HA H 1 4.145 0.005 . . . . . . . . . . 6551 2 622 . 2 2 56 56 LEU HB2 H 1 1.791 0.015 . . . . . . . . . . 6551 2 623 . 2 2 56 56 LEU HB3 H 1 1.486 0.015 . . . . . . . . . . 6551 2 624 . 2 2 56 56 LEU HG H 1 1.723 0.015 . . . . . . . . . . 6551 2 625 . 2 2 56 56 LEU HD11 H 1 0.674 0.008 . . . . . . . . . . 6551 2 626 . 2 2 56 56 LEU HD12 H 1 0.674 0.008 . . . . . . . . . . 6551 2 627 . 2 2 56 56 LEU HD13 H 1 0.674 0.008 . . . . . . . . . . 6551 2 628 . 2 2 56 56 LEU HD21 H 1 0.730 0.016 . . . . . . . . . . 6551 2 629 . 2 2 56 56 LEU HD22 H 1 0.730 0.016 . . . . . . . . . . 6551 2 630 . 2 2 56 56 LEU HD23 H 1 0.730 0.016 . . . . . . . . . . 6551 2 631 . 2 2 56 56 LEU CA C 13 56.284 0.250 . . . . . . . . . . 6551 2 632 . 2 2 56 56 LEU CB C 13 42.619 0.250 . . . . . . . . . . 6551 2 633 . 2 2 56 56 LEU CG C 13 27.238 0.250 . . . . . . . . . . 6551 2 634 . 2 2 56 56 LEU CD1 C 13 25.103 0.250 . . . . . . . . . . 6551 2 635 . 2 2 56 56 LEU CD2 C 13 22.603 0.250 . . . . . . . . . . 6551 2 636 . 2 2 56 56 LEU N N 15 115.374 0.250 . . . . . . . . . . 6551 2 637 . 2 2 57 57 GLY H H 1 8.127 0.025 . . . . . . . . . . 6551 2 638 . 2 2 57 57 GLY HA2 H 1 4.067 0.006 . . . . . . . . . . 6551 2 639 . 2 2 57 57 GLY HA3 H 1 3.822 0.003 . . . . . . . . . . 6551 2 640 . 2 2 57 57 GLY CA C 13 45.943 0.250 . . . . . . . . . . 6551 2 641 . 2 2 57 57 GLY N N 15 107.942 0.250 . . . . . . . . . . 6551 2 642 . 2 2 58 58 ASN H H 1 6.570 0.025 . . . . . . . . . . 6551 2 643 . 2 2 58 58 ASN HA H 1 4.748 0.038 . . . . . . . . . . 6551 2 644 . 2 2 58 58 ASN HB2 H 1 2.752 0.004 . . . . . . . . . . 6551 2 645 . 2 2 58 58 ASN HB3 H 1 2.649 0.019 . . . . . . . . . . 6551 2 646 . 2 2 58 58 ASN HD21 H 1 7.784 0.025 . . . . . . . . . . 6551 2 647 . 2 2 58 58 ASN HD22 H 1 6.966 0.025 . . . . . . . . . . 6551 2 648 . 2 2 58 58 ASN CA C 13 53.760 0.250 . . . . . . . . . . 6551 2 649 . 2 2 58 58 ASN CB C 13 41.656 0.250 . . . . . . . . . . 6551 2 650 . 2 2 58 58 ASN N N 15 114.427 0.250 . . . . . . . . . . 6551 2 651 . 2 2 58 58 ASN ND2 N 15 113.808 0.250 . . . . . . . . . . 6551 2 652 . 2 2 59 59 ALA HA H 1 4.267 0.014 . . . . . . . . . . 6551 2 653 . 2 2 59 59 ALA HB1 H 1 1.377 0.024 . . . . . . . . . . 6551 2 654 . 2 2 59 59 ALA HB2 H 1 1.377 0.024 . . . . . . . . . . 6551 2 655 . 2 2 59 59 ALA HB3 H 1 1.377 0.024 . . . . . . . . . . 6551 2 656 . 2 2 59 59 ALA CA C 13 54.700 0.250 . . . . . . . . . . 6551 2 657 . 2 2 59 59 ALA CB C 13 18.653 0.250 . . . . . . . . . . 6551 2 658 . 2 2 60 60 ALA H H 1 8.369 0.025 . . . . . . . . . . 6551 2 659 . 2 2 60 60 ALA HA H 1 4.168 0.015 . . . . . . . . . . 6551 2 660 . 2 2 60 60 ALA HB1 H 1 1.448 0.007 . . . . . . . . . . 6551 2 661 . 2 2 60 60 ALA HB2 H 1 1.448 0.007 . . . . . . . . . . 6551 2 662 . 2 2 60 60 ALA HB3 H 1 1.448 0.007 . . . . . . . . . . 6551 2 663 . 2 2 60 60 ALA CA C 13 55.343 0.250 . . . . . . . . . . 6551 2 664 . 2 2 60 60 ALA CB C 13 17.542 0.250 . . . . . . . . . . 6551 2 665 . 2 2 60 60 ALA N N 15 123.415 0.250 . . . . . . . . . . 6551 2 666 . 2 2 61 61 ASN H H 1 8.432 0.025 . . . . . . . . . . 6551 2 667 . 2 2 61 61 ASN HA H 1 4.429 0.008 . . . . . . . . . . 6551 2 668 . 2 2 61 61 ASN HB2 H 1 3.278 0.016 . . . . . . . . . . 6551 2 669 . 2 2 61 61 ASN HB3 H 1 2.360 0.006 . . . . . . . . . . 6551 2 670 . 2 2 61 61 ASN HD21 H 1 7.424 0.025 . . . . . . . . . . 6551 2 671 . 2 2 61 61 ASN HD22 H 1 6.955 0.025 . . . . . . . . . . 6551 2 672 . 2 2 61 61 ASN CA C 13 56.069 0.250 . . . . . . . . . . 6551 2 673 . 2 2 61 61 ASN CB C 13 37.838 0.250 . . . . . . . . . . 6551 2 674 . 2 2 61 61 ASN N N 15 118.321 0.250 . . . . . . . . . . 6551 2 675 . 2 2 61 61 ASN ND2 N 15 109.955 0.250 . . . . . . . . . . 6551 2 676 . 2 2 62 62 ALA H H 1 7.555 0.025 . . . . . . . . . . 6551 2 677 . 2 2 62 62 ALA HA H 1 3.792 0.013 . . . . . . . . . . 6551 2 678 . 2 2 62 62 ALA HB1 H 1 1.406 0.005 . . . . . . . . . . 6551 2 679 . 2 2 62 62 ALA HB2 H 1 1.406 0.005 . . . . . . . . . . 6551 2 680 . 2 2 62 62 ALA HB3 H 1 1.406 0.005 . . . . . . . . . . 6551 2 681 . 2 2 62 62 ALA CA C 13 55.460 0.250 . . . . . . . . . . 6551 2 682 . 2 2 62 62 ALA CB C 13 20.237 0.250 . . . . . . . . . . 6551 2 683 . 2 2 62 62 ALA N N 15 119.641 0.250 . . . . . . . . . . 6551 2 684 . 2 2 63 63 LYS H H 1 8.006 0.025 . . . . . . . . . . 6551 2 685 . 2 2 63 63 LYS HA H 1 3.915 0.005 . . . . . . . . . . 6551 2 686 . 2 2 63 63 LYS HB2 H 1 1.914 0.014 . . . . . . . . . . 6551 2 687 . 2 2 63 63 LYS HB3 H 1 1.777 0.001 . . . . . . . . . . 6551 2 688 . 2 2 63 63 LYS HG2 H 1 1.444 0.018 . . . . . . . . . . 6551 2 689 . 2 2 63 63 LYS HG3 H 1 1.309 0.007 . . . . . . . . . . 6551 2 690 . 2 2 63 63 LYS HD2 H 1 1.631 0.031 . . . . . . . . . . 6551 2 691 . 2 2 63 63 LYS HD3 H 1 1.631 0.031 . . . . . . . . . . 6551 2 692 . 2 2 63 63 LYS HE2 H 1 3.074 0.003 . . . . . . . . . . 6551 2 693 . 2 2 63 63 LYS HE3 H 1 2.955 0.025 . . . . . . . . . . 6551 2 694 . 2 2 63 63 LYS CA C 13 59.826 0.250 . . . . . . . . . . 6551 2 695 . 2 2 63 63 LYS CB C 13 32.397 0.250 . . . . . . . . . . 6551 2 696 . 2 2 63 63 LYS CG C 13 25.091 0.250 . . . . . . . . . . 6551 2 697 . 2 2 63 63 LYS CD C 13 29.133 0.250 . . . . . . . . . . 6551 2 698 . 2 2 63 63 LYS CE C 13 42.522 0.250 . . . . . . . . . . 6551 2 699 . 2 2 63 63 LYS N N 15 118.526 0.250 . . . . . . . . . . 6551 2 700 . 2 2 64 64 GLN H H 1 7.669 0.025 . . . . . . . . . . 6551 2 701 . 2 2 64 64 GLN HA H 1 4.059 0.004 . . . . . . . . . . 6551 2 702 . 2 2 64 64 GLN HB2 H 1 2.099 0.006 . . . . . . . . . . 6551 2 703 . 2 2 64 64 GLN HB3 H 1 1.806 0.008 . . . . . . . . . . 6551 2 704 . 2 2 64 64 GLN HG2 H 1 2.527 0.010 . . . . . . . . . . 6551 2 705 . 2 2 64 64 GLN HG3 H 1 2.297 0.006 . . . . . . . . . . 6551 2 706 . 2 2 64 64 GLN HE21 H 1 7.199 0.025 . . . . . . . . . . 6551 2 707 . 2 2 64 64 GLN HE22 H 1 6.728 0.025 . . . . . . . . . . 6551 2 708 . 2 2 64 64 GLN CA C 13 59.262 0.250 . . . . . . . . . . 6551 2 709 . 2 2 64 64 GLN CB C 13 29.123 0.250 . . . . . . . . . . 6551 2 710 . 2 2 64 64 GLN CG C 13 34.709 0.250 . . . . . . . . . . 6551 2 711 . 2 2 64 64 GLN N N 15 116.148 0.250 . . . . . . . . . . 6551 2 712 . 2 2 64 64 GLN NE2 N 15 110.361 0.250 . . . . . . . . . . 6551 2 713 . 2 2 65 65 LEU H H 1 7.864 0.025 . . . . . . . . . . 6551 2 714 . 2 2 65 65 LEU HA H 1 4.321 0.011 . . . . . . . . . . 6551 2 715 . 2 2 65 65 LEU HB2 H 1 1.847 0.001 . . . . . . . . . . 6551 2 716 . 2 2 65 65 LEU HB3 H 1 1.847 0.001 . . . . . . . . . . 6551 2 717 . 2 2 65 65 LEU HG H 1 1.595 0.011 . . . . . . . . . . 6551 2 718 . 2 2 65 65 LEU HD11 H 1 0.890 0.004 . . . . . . . . . . 6551 2 719 . 2 2 65 65 LEU HD12 H 1 0.890 0.004 . . . . . . . . . . 6551 2 720 . 2 2 65 65 LEU HD13 H 1 0.890 0.004 . . . . . . . . . . 6551 2 721 . 2 2 65 65 LEU HD21 H 1 1.128 0.004 . . . . . . . . . . 6551 2 722 . 2 2 65 65 LEU HD22 H 1 1.128 0.004 . . . . . . . . . . 6551 2 723 . 2 2 65 65 LEU HD23 H 1 1.128 0.004 . . . . . . . . . . 6551 2 724 . 2 2 65 65 LEU CA C 13 58.270 0.250 . . . . . . . . . . 6551 2 725 . 2 2 65 65 LEU CB C 13 42.211 0.250 . . . . . . . . . . 6551 2 726 . 2 2 65 65 LEU CG C 13 27.389 0.250 . . . . . . . . . . 6551 2 727 . 2 2 65 65 LEU CD1 C 13 25.010 0.250 . . . . . . . . . . 6551 2 728 . 2 2 65 65 LEU CD2 C 13 23.753 0.250 . . . . . . . . . . 6551 2 729 . 2 2 65 65 LEU N N 15 121.877 0.250 . . . . . . . . . . 6551 2 730 . 2 2 66 66 TYR H H 1 8.885 0.025 . . . . . . . . . . 6551 2 731 . 2 2 66 66 TYR HA H 1 3.808 0.008 . . . . . . . . . . 6551 2 732 . 2 2 66 66 TYR HB2 H 1 3.129 0.002 . . . . . . . . . . 6551 2 733 . 2 2 66 66 TYR HB3 H 1 3.061 0.015 . . . . . . . . . . 6551 2 734 . 2 2 66 66 TYR HD1 H 1 7.147 0.016 . . . . . . . . . . 6551 2 735 . 2 2 66 66 TYR HD2 H 1 7.147 0.016 . . . . . . . . . . 6551 2 736 . 2 2 66 66 TYR HE1 H 1 6.741 0.015 . . . . . . . . . . 6551 2 737 . 2 2 66 66 TYR HE2 H 1 6.741 0.015 . . . . . . . . . . 6551 2 738 . 2 2 66 66 TYR CA C 13 63.490 0.250 . . . . . . . . . . 6551 2 739 . 2 2 66 66 TYR CB C 13 39.579 0.250 . . . . . . . . . . 6551 2 740 . 2 2 66 66 TYR CD1 C 13 133.286 0.294 . . . . . . . . . . 6551 2 741 . 2 2 66 66 TYR CD2 C 13 133.286 0.294 . . . . . . . . . . 6551 2 742 . 2 2 66 66 TYR CE1 C 13 118.499 0.250 . . . . . . . . . . 6551 2 743 . 2 2 66 66 TYR CE2 C 13 118.499 0.250 . . . . . . . . . . 6551 2 744 . 2 2 66 66 TYR N N 15 119.679 0.250 . . . . . . . . . . 6551 2 745 . 2 2 67 67 ASP H H 1 9.269 0.025 . . . . . . . . . . 6551 2 746 . 2 2 67 67 ASP HA H 1 4.440 0.004 . . . . . . . . . . 6551 2 747 . 2 2 67 67 ASP HB2 H 1 2.906 0.004 . . . . . . . . . . 6551 2 748 . 2 2 67 67 ASP HB3 H 1 2.548 0.005 . . . . . . . . . . 6551 2 749 . 2 2 67 67 ASP CA C 13 57.111 0.250 . . . . . . . . . . 6551 2 750 . 2 2 67 67 ASP CB C 13 39.402 0.250 . . . . . . . . . . 6551 2 751 . 2 2 67 67 ASP N N 15 118.801 0.250 . . . . . . . . . . 6551 2 752 . 2 2 68 68 PHE H H 1 8.023 0.025 . . . . . . . . . . 6551 2 753 . 2 2 68 68 PHE HA H 1 4.465 0.009 . . . . . . . . . . 6551 2 754 . 2 2 68 68 PHE HB2 H 1 3.477 0.015 . . . . . . . . . . 6551 2 755 . 2 2 68 68 PHE HB3 H 1 3.135 0.025 . . . . . . . . . . 6551 2 756 . 2 2 68 68 PHE HD1 H 1 7.280 0.015 . . . . . . . . . . 6551 2 757 . 2 2 68 68 PHE HD2 H 1 7.280 0.015 . . . . . . . . . . 6551 2 758 . 2 2 68 68 PHE HE1 H 1 7.433 0.015 . . . . . . . . . . 6551 2 759 . 2 2 68 68 PHE HE2 H 1 7.433 0.015 . . . . . . . . . . 6551 2 760 . 2 2 68 68 PHE HZ H 1 7.213 0.025 . . . . . . . . . . 6551 2 761 . 2 2 68 68 PHE CA C 13 61.357 0.250 . . . . . . . . . . 6551 2 762 . 2 2 68 68 PHE CB C 13 39.730 0.250 . . . . . . . . . . 6551 2 763 . 2 2 68 68 PHE CD1 C 13 131.439 0.250 . . . . . . . . . . 6551 2 764 . 2 2 68 68 PHE CD2 C 13 131.439 0.250 . . . . . . . . . . 6551 2 765 . 2 2 68 68 PHE CE1 C 13 131.159 0.250 . . . . . . . . . . 6551 2 766 . 2 2 68 68 PHE CE2 C 13 131.159 0.250 . . . . . . . . . . 6551 2 767 . 2 2 68 68 PHE N N 15 122.460 0.250 . . . . . . . . . . 6551 2 768 . 2 2 69 69 ILE H H 1 7.660 0.025 . . . . . . . . . . 6551 2 769 . 2 2 69 69 ILE HA H 1 3.399 0.008 . . . . . . . . . . 6551 2 770 . 2 2 69 69 ILE HB H 1 1.380 0.007 . . . . . . . . . . 6551 2 771 . 2 2 69 69 ILE HG12 H 1 2.139 0.003 . . . . . . . . . . 6551 2 772 . 2 2 69 69 ILE HG13 H 1 0.593 0.012 . . . . . . . . . . 6551 2 773 . 2 2 69 69 ILE HG21 H 1 -0.046 0.002 . . . . . . . . . . 6551 2 774 . 2 2 69 69 ILE HG22 H 1 -0.046 0.002 . . . . . . . . . . 6551 2 775 . 2 2 69 69 ILE HG23 H 1 -0.046 0.002 . . . . . . . . . . 6551 2 776 . 2 2 69 69 ILE HD11 H 1 0.679 0.005 . . . . . . . . . . 6551 2 777 . 2 2 69 69 ILE HD12 H 1 0.679 0.005 . . . . . . . . . . 6551 2 778 . 2 2 69 69 ILE HD13 H 1 0.679 0.005 . . . . . . . . . . 6551 2 779 . 2 2 69 69 ILE CA C 13 64.316 0.250 . . . . . . . . . . 6551 2 780 . 2 2 69 69 ILE CB C 13 39.278 0.250 . . . . . . . . . . 6551 2 781 . 2 2 69 69 ILE CG1 C 13 29.803 0.250 . . . . . . . . . . 6551 2 782 . 2 2 69 69 ILE CG2 C 13 16.668 0.250 . . . . . . . . . . 6551 2 783 . 2 2 69 69 ILE CD1 C 13 13.872 0.250 . . . . . . . . . . 6551 2 784 . 2 2 69 69 ILE N N 15 114.688 0.250 . . . . . . . . . . 6551 2 785 . 2 2 70 70 HIS H H 1 7.549 0.025 . . . . . . . . . . 6551 2 786 . 2 2 70 70 HIS HA H 1 4.436 0.005 . . . . . . . . . . 6551 2 787 . 2 2 70 70 HIS HB2 H 1 3.341 0.010 . . . . . . . . . . 6551 2 788 . 2 2 70 70 HIS HB3 H 1 3.341 0.010 . . . . . . . . . . 6551 2 789 . 2 2 70 70 HIS HD2 H 1 6.256 0.015 . . . . . . . . . . 6551 2 790 . 2 2 70 70 HIS HE1 H 1 8.768 0.013 . . . . . . . . . . 6551 2 791 . 2 2 70 70 HIS CA C 13 56.670 0.250 . . . . . . . . . . 6551 2 792 . 2 2 70 70 HIS CB C 13 28.820 0.250 . . . . . . . . . . 6551 2 793 . 2 2 70 70 HIS CD2 C 13 122.555 0.250 . . . . . . . . . . 6551 2 794 . 2 2 70 70 HIS CE1 C 13 136.634 0.250 . . . . . . . . . . 6551 2 795 . 2 2 70 70 HIS N N 15 110.576 0.250 . . . . . . . . . . 6551 2 796 . 2 2 71 71 THR H H 1 7.526 0.025 . . . . . . . . . . 6551 2 797 . 2 2 71 71 THR HA H 1 4.082 0.008 . . . . . . . . . . 6551 2 798 . 2 2 71 71 THR HB H 1 3.792 0.009 . . . . . . . . . . 6551 2 799 . 2 2 71 71 THR HG21 H 1 0.669 0.004 . . . . . . . . . . 6551 2 800 . 2 2 71 71 THR HG22 H 1 0.669 0.004 . . . . . . . . . . 6551 2 801 . 2 2 71 71 THR HG23 H 1 0.669 0.004 . . . . . . . . . . 6551 2 802 . 2 2 71 71 THR CA C 13 64.703 0.250 . . . . . . . . . . 6551 2 803 . 2 2 71 71 THR CB C 13 69.690 0.250 . . . . . . . . . . 6551 2 804 . 2 2 71 71 THR CG2 C 13 20.840 0.250 . . . . . . . . . . 6551 2 805 . 2 2 71 71 THR N N 15 119.001 0.250 . . . . . . . . . . 6551 2 806 . 2 2 72 72 SER H H 1 8.561 0.025 . . . . . . . . . . 6551 2 807 . 2 2 72 72 SER HA H 1 4.741 0.025 . . . . . . . . . . 6551 2 808 . 2 2 72 72 SER HB2 H 1 3.916 0.001 . . . . . . . . . . 6551 2 809 . 2 2 72 72 SER HB3 H 1 3.821 0.007 . . . . . . . . . . 6551 2 810 . 2 2 72 72 SER CA C 13 56.682 0.250 . . . . . . . . . . 6551 2 811 . 2 2 72 72 SER CB C 13 64.377 0.250 . . . . . . . . . . 6551 2 812 . 2 2 72 72 SER N N 15 120.095 0.250 . . . . . . . . . . 6551 2 813 . 2 2 73 73 PHE H H 1 9.059 0.025 . . . . . . . . . . 6551 2 814 . 2 2 73 73 PHE HA H 1 4.335 0.020 . . . . . . . . . . 6551 2 815 . 2 2 73 73 PHE HB2 H 1 3.371 0.029 . . . . . . . . . . 6551 2 816 . 2 2 73 73 PHE HB3 H 1 3.128 0.030 . . . . . . . . . . 6551 2 817 . 2 2 73 73 PHE HD1 H 1 7.159 0.002 . . . . . . . . . . 6551 2 818 . 2 2 73 73 PHE HD2 H 1 7.159 0.002 . . . . . . . . . . 6551 2 819 . 2 2 73 73 PHE HE1 H 1 7.251 0.049 . . . . . . . . . . 6551 2 820 . 2 2 73 73 PHE HE2 H 1 7.251 0.049 . . . . . . . . . . 6551 2 821 . 2 2 73 73 PHE HZ H 1 7.055 0.025 . . . . . . . . . . 6551 2 822 . 2 2 73 73 PHE CA C 13 58.983 0.250 . . . . . . . . . . 6551 2 823 . 2 2 73 73 PHE CB C 13 39.665 0.266 . . . . . . . . . . 6551 2 824 . 2 2 73 73 PHE CD1 C 13 131.371 0.250 . . . . . . . . . . 6551 2 825 . 2 2 73 73 PHE CD2 C 13 131.371 0.250 . . . . . . . . . . 6551 2 826 . 2 2 73 73 PHE CE1 C 13 131.324 0.250 . . . . . . . . . . 6551 2 827 . 2 2 73 73 PHE CE2 C 13 131.324 0.250 . . . . . . . . . . 6551 2 828 . 2 2 73 73 PHE N N 15 126.340 0.250 . . . . . . . . . . 6551 2 829 . 2 2 74 74 ALA H H 1 8.371 0.025 . . . . . . . . . . 6551 2 830 . 2 2 74 74 ALA HA H 1 4.040 0.011 . . . . . . . . . . 6551 2 831 . 2 2 74 74 ALA HB1 H 1 1.352 0.006 . . . . . . . . . . 6551 2 832 . 2 2 74 74 ALA HB2 H 1 1.352 0.006 . . . . . . . . . . 6551 2 833 . 2 2 74 74 ALA HB3 H 1 1.352 0.006 . . . . . . . . . . 6551 2 834 . 2 2 74 74 ALA CA C 13 54.048 0.250 . . . . . . . . . . 6551 2 835 . 2 2 74 74 ALA CB C 13 18.954 0.250 . . . . . . . . . . 6551 2 836 . 2 2 74 74 ALA N N 15 120.987 0.250 . . . . . . . . . . 6551 2 837 . 2 2 75 75 GLU H H 1 7.828 0.025 . . . . . . . . . . 6551 2 838 . 2 2 75 75 GLU HA H 1 4.115 0.007 . . . . . . . . . . 6551 2 839 . 2 2 75 75 GLU HB2 H 1 2.029 0.009 . . . . . . . . . . 6551 2 840 . 2 2 75 75 GLU HB3 H 1 2.029 0.009 . . . . . . . . . . 6551 2 841 . 2 2 75 75 GLU HG2 H 1 2.207 0.006 . . . . . . . . . . 6551 2 842 . 2 2 75 75 GLU HG3 H 1 2.207 0.006 . . . . . . . . . . 6551 2 843 . 2 2 75 75 GLU CA C 13 57.506 0.250 . . . . . . . . . . 6551 2 844 . 2 2 75 75 GLU CB C 13 29.969 0.250 . . . . . . . . . . 6551 2 845 . 2 2 75 75 GLU CG C 13 36.579 0.250 . . . . . . . . . . 6551 2 846 . 2 2 75 75 GLU N N 15 117.406 0.250 . . . . . . . . . . 6551 2 847 . 2 2 76 76 VAL H H 1 7.656 0.025 . . . . . . . . . . 6551 2 848 . 2 2 76 76 VAL HA H 1 3.856 0.008 . . . . . . . . . . 6551 2 849 . 2 2 76 76 VAL HB H 1 2.018 0.009 . . . . . . . . . . 6551 2 850 . 2 2 76 76 VAL HG11 H 1 0.813 0.008 . . . . . . . . . . 6551 2 851 . 2 2 76 76 VAL HG12 H 1 0.813 0.008 . . . . . . . . . . 6551 2 852 . 2 2 76 76 VAL HG13 H 1 0.813 0.008 . . . . . . . . . . 6551 2 853 . 2 2 76 76 VAL HG21 H 1 0.752 0.004 . . . . . . . . . . 6551 2 854 . 2 2 76 76 VAL HG22 H 1 0.752 0.004 . . . . . . . . . . 6551 2 855 . 2 2 76 76 VAL HG23 H 1 0.752 0.004 . . . . . . . . . . 6551 2 856 . 2 2 76 76 VAL CA C 13 64.044 0.250 . . . . . . . . . . 6551 2 857 . 2 2 76 76 VAL CB C 13 32.207 0.250 . . . . . . . . . . 6551 2 858 . 2 2 76 76 VAL CG1 C 13 21.325 0.250 . . . . . . . . . . 6551 2 859 . 2 2 76 76 VAL CG2 C 13 21.278 0.250 . . . . . . . . . . 6551 2 860 . 2 2 76 76 VAL N N 15 119.189 0.250 . . . . . . . . . . 6551 2 861 . 2 2 77 77 VAL H H 1 7.851 0.035 . . . . . . . . . . 6551 2 862 . 2 2 77 77 VAL HA H 1 3.907 0.008 . . . . . . . . . . 6551 2 863 . 2 2 77 77 VAL HB H 1 1.910 0.003 . . . . . . . . . . 6551 2 864 . 2 2 77 77 VAL HG11 H 1 0.795 0.025 . . . . . . . . . . 6551 2 865 . 2 2 77 77 VAL HG12 H 1 0.795 0.025 . . . . . . . . . . 6551 2 866 . 2 2 77 77 VAL HG13 H 1 0.795 0.025 . . . . . . . . . . 6551 2 867 . 2 2 77 77 VAL HG21 H 1 0.750 0.022 . . . . . . . . . . 6551 2 868 . 2 2 77 77 VAL HG22 H 1 0.750 0.022 . . . . . . . . . . 6551 2 869 . 2 2 77 77 VAL HG23 H 1 0.750 0.022 . . . . . . . . . . 6551 2 870 . 2 2 77 77 VAL CA C 13 63.538 0.250 . . . . . . . . . . 6551 2 871 . 2 2 77 77 VAL CB C 13 32.169 0.250 . . . . . . . . . . 6551 2 872 . 2 2 77 77 VAL CG1 C 13 21.056 0.250 . . . . . . . . . . 6551 2 873 . 2 2 77 77 VAL CG2 C 13 21.200 0.250 . . . . . . . . . . 6551 2 874 . 2 2 77 77 VAL N N 15 119.583 0.250 . . . . . . . . . . 6551 2 875 . 2 2 78 78 SER H H 1 8.028 0.025 . . . . . . . . . . 6551 2 876 . 2 2 78 78 SER HA H 1 4.308 0.004 . . . . . . . . . . 6551 2 877 . 2 2 78 78 SER HB2 H 1 3.866 0.026 . . . . . . . . . . 6551 2 878 . 2 2 78 78 SER HB3 H 1 3.866 0.026 . . . . . . . . . . 6551 2 879 . 2 2 78 78 SER CA C 13 59.262 0.250 . . . . . . . . . . 6551 2 880 . 2 2 78 78 SER CB C 13 63.576 0.250 . . . . . . . . . . 6551 2 881 . 2 2 78 78 SER N N 15 117.278 0.250 . . . . . . . . . . 6551 2 882 . 2 2 79 79 LYS H H 1 8.097 0.025 . . . . . . . . . . 6551 2 883 . 2 2 79 79 LYS HA H 1 4.236 0.023 . . . . . . . . . . 6551 2 884 . 2 2 79 79 LYS HB2 H 1 1.837 0.025 . . . . . . . . . . 6551 2 885 . 2 2 79 79 LYS HB3 H 1 1.786 0.025 . . . . . . . . . . 6551 2 886 . 2 2 79 79 LYS HG2 H 1 1.480 0.025 . . . . . . . . . . 6551 2 887 . 2 2 79 79 LYS HG3 H 1 1.404 0.025 . . . . . . . . . . 6551 2 888 . 2 2 79 79 LYS HD2 H 1 1.625 0.006 . . . . . . . . . . 6551 2 889 . 2 2 79 79 LYS HD3 H 1 1.625 0.006 . . . . . . . . . . 6551 2 890 . 2 2 79 79 LYS HE2 H 1 2.943 0.018 . . . . . . . . . . 6551 2 891 . 2 2 79 79 LYS HE3 H 1 2.943 0.018 . . . . . . . . . . 6551 2 892 . 2 2 79 79 LYS CA C 13 57.094 0.250 . . . . . . . . . . 6551 2 893 . 2 2 79 79 LYS CB C 13 32.689 0.250 . . . . . . . . . . 6551 2 894 . 2 2 79 79 LYS CG C 13 25.079 0.250 . . . . . . . . . . 6551 2 895 . 2 2 79 79 LYS CD C 13 29.191 0.250 . . . . . . . . . . 6551 2 896 . 2 2 79 79 LYS CE C 13 42.178 0.250 . . . . . . . . . . 6551 2 897 . 2 2 79 79 LYS N N 15 122.509 0.250 . . . . . . . . . . 6551 2 898 . 2 2 80 80 GLY H H 1 8.250 0.025 . . . . . . . . . . 6551 2 899 . 2 2 80 80 GLY HA2 H 1 3.925 0.025 . . . . . . . . . . 6551 2 900 . 2 2 80 80 GLY HA3 H 1 3.925 0.025 . . . . . . . . . . 6551 2 901 . 2 2 80 80 GLY CA C 13 45.547 0.250 . . . . . . . . . . 6551 2 902 . 2 2 80 80 GLY N N 15 108.848 0.250 . . . . . . . . . . 6551 2 903 . 2 2 81 81 LYS H H 1 8.069 0.025 . . . . . . . . . . 6551 2 904 . 2 2 81 81 LYS HA H 1 4.290 0.014 . . . . . . . . . . 6551 2 905 . 2 2 81 81 LYS HB2 H 1 1.844 0.025 . . . . . . . . . . 6551 2 906 . 2 2 81 81 LYS HB3 H 1 1.755 0.015 . . . . . . . . . . 6551 2 907 . 2 2 81 81 LYS HG2 H 1 1.440 0.025 . . . . . . . . . . 6551 2 908 . 2 2 81 81 LYS HG3 H 1 1.380 0.025 . . . . . . . . . . 6551 2 909 . 2 2 81 81 LYS HD2 H 1 1.646 0.015 . . . . . . . . . . 6551 2 910 . 2 2 81 81 LYS HD3 H 1 1.646 0.015 . . . . . . . . . . 6551 2 911 . 2 2 81 81 LYS HE2 H 1 2.950 0.025 . . . . . . . . . . 6551 2 912 . 2 2 81 81 LYS HE3 H 1 2.950 0.025 . . . . . . . . . . 6551 2 913 . 2 2 81 81 LYS CA C 13 56.550 0.250 . . . . . . . . . . 6551 2 914 . 2 2 81 81 LYS CB C 13 32.910 0.250 . . . . . . . . . . 6551 2 915 . 2 2 81 81 LYS CG C 13 24.772 0.250 . . . . . . . . . . 6551 2 916 . 2 2 81 81 LYS CD C 13 29.164 0.250 . . . . . . . . . . 6551 2 917 . 2 2 81 81 LYS CE C 13 42.182 0.250 . . . . . . . . . . 6551 2 918 . 2 2 81 81 LYS N N 15 120.524 0.250 . . . . . . . . . . 6551 2 919 . 2 2 82 82 GLY H H 1 8.405 0.025 . . . . . . . . . . 6551 2 920 . 2 2 82 82 GLY HA2 H 1 3.920 0.015 . . . . . . . . . . 6551 2 921 . 2 2 82 82 GLY HA3 H 1 3.920 0.015 . . . . . . . . . . 6551 2 922 . 2 2 82 82 GLY CA C 13 45.359 0.250 . . . . . . . . . . 6551 2 923 . 2 2 82 82 GLY N N 15 109.665 0.250 . . . . . . . . . . 6551 2 924 . 2 2 83 83 LYS H H 1 8.069 0.025 . . . . . . . . . . 6551 2 925 . 2 2 83 83 LYS HA H 1 4.301 0.015 . . . . . . . . . . 6551 2 926 . 2 2 83 83 LYS HB2 H 1 1.802 0.025 . . . . . . . . . . 6551 2 927 . 2 2 83 83 LYS HB3 H 1 1.696 0.015 . . . . . . . . . . 6551 2 928 . 2 2 83 83 LYS HG2 H 1 1.381 0.025 . . . . . . . . . . 6551 2 929 . 2 2 83 83 LYS HG3 H 1 1.381 0.025 . . . . . . . . . . 6551 2 930 . 2 2 83 83 LYS HD2 H 1 1.631 0.025 . . . . . . . . . . 6551 2 931 . 2 2 83 83 LYS HD3 H 1 1.631 0.025 . . . . . . . . . . 6551 2 932 . 2 2 83 83 LYS HE2 H 1 2.948 0.025 . . . . . . . . . . 6551 2 933 . 2 2 83 83 LYS HE3 H 1 2.948 0.025 . . . . . . . . . . 6551 2 934 . 2 2 83 83 LYS CA C 13 56.269 0.250 . . . . . . . . . . 6551 2 935 . 2 2 83 83 LYS CB C 13 33.199 0.250 . . . . . . . . . . 6551 2 936 . 2 2 83 83 LYS CG C 13 24.838 0.250 . . . . . . . . . . 6551 2 937 . 2 2 83 83 LYS CD C 13 29.191 0.250 . . . . . . . . . . 6551 2 938 . 2 2 83 83 LYS CE C 13 42.174 0.250 . . . . . . . . . . 6551 2 939 . 2 2 83 83 LYS N N 15 121.246 0.250 . . . . . . . . . . 6551 2 940 . 2 2 84 84 LYS H H 1 7.982 0.025 . . . . . . . . . . 6551 2 941 . 2 2 84 84 LYS HA H 1 4.110 0.015 . . . . . . . . . . 6551 2 942 . 2 2 84 84 LYS HB2 H 1 1.768 0.025 . . . . . . . . . . 6551 2 943 . 2 2 84 84 LYS HB3 H 1 1.662 0.006 . . . . . . . . . . 6551 2 944 . 2 2 84 84 LYS HG2 H 1 1.349 0.032 . . . . . . . . . . 6551 2 945 . 2 2 84 84 LYS HG3 H 1 1.349 0.032 . . . . . . . . . . 6551 2 946 . 2 2 84 84 LYS HD2 H 1 1.657 0.015 . . . . . . . . . . 6551 2 947 . 2 2 84 84 LYS HD3 H 1 1.657 0.015 . . . . . . . . . . 6551 2 948 . 2 2 84 84 LYS HE2 H 1 2.933 0.015 . . . . . . . . . . 6551 2 949 . 2 2 84 84 LYS HE3 H 1 2.933 0.015 . . . . . . . . . . 6551 2 950 . 2 2 84 84 LYS CA C 13 57.751 0.250 . . . . . . . . . . 6551 2 951 . 2 2 84 84 LYS CB C 13 33.668 0.274 . . . . . . . . . . 6551 2 952 . 2 2 84 84 LYS CG C 13 24.864 0.250 . . . . . . . . . . 6551 2 953 . 2 2 84 84 LYS CD C 13 29.213 0.250 . . . . . . . . . . 6551 2 954 . 2 2 84 84 LYS CE C 13 42.148 0.250 . . . . . . . . . . 6551 2 955 . 2 2 84 84 LYS N N 15 128.132 0.250 . . . . . . . . . . 6551 2 stop_ save_