data_7058 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7058 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Solution structure of Calponin Homology domain of Human MICAL-1' 'Structure analysis' ; The data from the entries that make up this study were used to determine the structure of Calponin Homology domain of Human MICAL-1 ; 7058 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'calponin homology domain' 7058 1 . MICAL 7058 1 . 'NMR structure' 7058 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7058 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for calponin homology domain of human MICAL_1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-04-08 _Entry.Accession_date 2006-04-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Haiming Dai . . . 7058 2 Hongbin Sun . . . 7058 3 Jiahai Zhang . . . 7058 4 shangmin Xiong . . . 7058 5 Jian Xu . . . 7058 6 Jihui Wu . . . 7058 7 yunyu Shi . . . 7058 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7058 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 426 7058 '15N chemical shifts' 115 7058 '1H chemical shifts' 736 7058 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-07 2006-04-08 update BMRB 'complete entry citation' 7058 1 . . 2006-06-27 2006-04-08 original author 'original release' 7058 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DK9 'BMRB Entry Tracking System' 7058 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7058 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17043746 _Citation.Full_citation . _Citation.Title 'Solution structure of calponin homology domain of Human MICAL-1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 4 _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 295 _Citation.Page_last 300 _Citation.Year 2006 _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 Hongbin Sun . . . 7058 1 2 Haiming Dai . . . 7058 1 3 Jiahai Zhang . . . 7058 1 4 Xianju Jin . . . 7058 1 5 Shangmin Xiong . . . 7058 1 6 Jian Xu . . . 7058 1 7 Jihui Wu . . . 7058 1 8 Yunyu Shi . . . 7058 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'calponin homology domain' 7058 1 MICAL 7058 1 'NMR structure' 7058 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7058 _Assembly.ID 1 _Assembly.Name 'MICAL_1 CH monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _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 protein 7058 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 'MICAL_1 CH' 1 $calponin_homology_domain_of_human_MICAL_1 . . yes native no no . . . 7058 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_calponin_homology_domain_of_human_MICAL_1 _Entity.Sf_category entity _Entity.Sf_framecode calponin_homology_domain_of_human_MICAL_1 _Entity.Entry_ID 7058 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'MICAL_1 CH' _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 ; MGHHHHHHMGSAGTQEELLR WCQEQTAGYPGVHVSDLSSS WADGLALCALVYRLQPGLLE PSELQGLGALEATAWALKVA ENELGITPVVSAQAVVAGSD PLGLIAYLSHFHSAFKSM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq -8-109 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 11085 . "CH domain" . . . . . 91.53 116 99.07 100.00 8.17e-69 . . . . 7058 1 2 no PDB 1WYL . "Solution Structure Of The Ch Domain Of Human Nedd9 Interacting Protein With Calponin Homology And Lim Domains" . . . . . 91.53 116 99.07 100.00 8.17e-69 . . . . 7058 1 3 no PDB 2DK9 . "Solution Structure Of Calponin Homology Domain Of Human Mical-1" . . . . . 100.00 118 100.00 100.00 8.29e-78 . . . . 7058 1 4 no DBJ BAB13949 . "unnamed protein product [Homo sapiens]" . . . . . 92.37 1067 100.00 100.00 4.03e-64 . . . . 7058 1 5 no DBJ BAB15124 . "unnamed protein product [Homo sapiens]" . . . . . 92.37 1067 100.00 100.00 3.65e-64 . . . . 7058 1 6 no DBJ BAB86289 . "CasL interacting molecule MICAL [Homo sapiens]" . . . . . 92.37 1067 100.00 100.00 3.99e-64 . . . . 7058 1 7 no DBJ BAD18727 . "FLJ00407 protein [Homo sapiens]" . . . . . 90.68 591 100.00 100.00 4.39e-65 . . . . 7058 1 8 no DBJ BAH12301 . "unnamed protein product [Homo sapiens]" . . . . . 92.37 1086 100.00 100.00 4.49e-64 . . . . 7058 1 9 no EMBL CAB59266 . "hypothetical protein [Homo sapiens]" . . . . . 92.37 646 100.00 100.00 3.46e-66 . . . . 7058 1 10 no GB AAH09972 . "MICAL1 protein [Homo sapiens]" . . . . . 92.37 981 100.00 100.00 1.96e-64 . . . . 7058 1 11 no GB AAH42144 . "Microtubule associated monoxygenase, calponin and LIM domain containing 1 [Homo sapiens]" . . . . . 92.37 1067 100.00 100.00 3.99e-64 . . . . 7058 1 12 no GB AAH52983 . "Microtubule associated monoxygenase, calponin and LIM domain containing 1 [Homo sapiens]" . . . . . 92.37 1067 100.00 100.00 3.99e-64 . . . . 7058 1 13 no GB AIC63549 . "MICAL1, partial [synthetic construct]" . . . . . 92.37 981 100.00 100.00 1.96e-64 . . . . 7058 1 14 no GB EAW48341 . "microtubule associated monoxygenase, calponin and LIM domain containing 1, isoform CRA_c [Homo sapiens]" . . . . . 92.37 981 100.00 100.00 2.08e-64 . . . . 7058 1 15 no REF NP_001152763 . "protein-methionine sulfoxide oxidase MICAL1 isoform 2 [Homo sapiens]" . . . . . 92.37 981 100.00 100.00 2.08e-64 . . . . 7058 1 16 no REF NP_001273542 . "protein-methionine sulfoxide oxidase MICAL1 isoform 3 [Homo sapiens]" . . . . . 92.37 1086 100.00 100.00 4.49e-64 . . . . 7058 1 17 no REF NP_073602 . "protein-methionine sulfoxide oxidase MICAL1 isoform 1 [Homo sapiens]" . . . . . 92.37 1067 100.00 100.00 3.99e-64 . . . . 7058 1 18 no REF XP_001090339 . "PREDICTED: NEDD9-interacting protein with calponin homology and LIM domains isoform 3 [Macaca mulatta]" . . . . . 91.53 1066 97.22 99.07 1.03e-60 . . . . 7058 1 19 no REF XP_001153132 . "PREDICTED: protein-methionine sulfoxide oxidase MICAL1 isoform X1 [Pan troglodytes]" . . . . . 91.53 1086 99.07 100.00 3.12e-62 . . . . 7058 1 20 no SP Q8TDZ2 . "RecName: Full=Protein-methionine sulfoxide oxidase MICAL1; AltName: Full=Molecule interacting with CasL protein 1; Short=MICAL-" . . . . . 92.37 1067 100.00 100.00 3.99e-64 . . . . 7058 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MICAL_1 CH' . 7058 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 -8 MET . 7058 1 2 -7 GLY . 7058 1 3 -6 HIS . 7058 1 4 -5 HIS . 7058 1 5 -4 HIS . 7058 1 6 -3 HIS . 7058 1 7 -2 HIS . 7058 1 8 -1 HIS . 7058 1 9 0 MET . 7058 1 10 1 GLY . 7058 1 11 2 SER . 7058 1 12 3 ALA . 7058 1 13 4 GLY . 7058 1 14 5 THR . 7058 1 15 6 GLN . 7058 1 16 7 GLU . 7058 1 17 8 GLU . 7058 1 18 9 LEU . 7058 1 19 10 LEU . 7058 1 20 11 ARG . 7058 1 21 12 TRP . 7058 1 22 13 CYS . 7058 1 23 14 GLN . 7058 1 24 15 GLU . 7058 1 25 16 GLN . 7058 1 26 17 THR . 7058 1 27 18 ALA . 7058 1 28 19 GLY . 7058 1 29 20 TYR . 7058 1 30 21 PRO . 7058 1 31 22 GLY . 7058 1 32 23 VAL . 7058 1 33 24 HIS . 7058 1 34 25 VAL . 7058 1 35 26 SER . 7058 1 36 27 ASP . 7058 1 37 28 LEU . 7058 1 38 29 SER . 7058 1 39 30 SER . 7058 1 40 31 SER . 7058 1 41 32 TRP . 7058 1 42 33 ALA . 7058 1 43 34 ASP . 7058 1 44 35 GLY . 7058 1 45 36 LEU . 7058 1 46 37 ALA . 7058 1 47 38 LEU . 7058 1 48 39 CYS . 7058 1 49 40 ALA . 7058 1 50 41 LEU . 7058 1 51 42 VAL . 7058 1 52 43 TYR . 7058 1 53 44 ARG . 7058 1 54 45 LEU . 7058 1 55 46 GLN . 7058 1 56 47 PRO . 7058 1 57 48 GLY . 7058 1 58 49 LEU . 7058 1 59 50 LEU . 7058 1 60 51 GLU . 7058 1 61 52 PRO . 7058 1 62 53 SER . 7058 1 63 54 GLU . 7058 1 64 55 LEU . 7058 1 65 56 GLN . 7058 1 66 57 GLY . 7058 1 67 58 LEU . 7058 1 68 59 GLY . 7058 1 69 60 ALA . 7058 1 70 61 LEU . 7058 1 71 62 GLU . 7058 1 72 63 ALA . 7058 1 73 64 THR . 7058 1 74 65 ALA . 7058 1 75 66 TRP . 7058 1 76 67 ALA . 7058 1 77 68 LEU . 7058 1 78 69 LYS . 7058 1 79 70 VAL . 7058 1 80 71 ALA . 7058 1 81 72 GLU . 7058 1 82 73 ASN . 7058 1 83 74 GLU . 7058 1 84 75 LEU . 7058 1 85 76 GLY . 7058 1 86 77 ILE . 7058 1 87 78 THR . 7058 1 88 79 PRO . 7058 1 89 80 VAL . 7058 1 90 81 VAL . 7058 1 91 82 SER . 7058 1 92 83 ALA . 7058 1 93 84 GLN . 7058 1 94 85 ALA . 7058 1 95 86 VAL . 7058 1 96 87 VAL . 7058 1 97 88 ALA . 7058 1 98 89 GLY . 7058 1 99 90 SER . 7058 1 100 91 ASP . 7058 1 101 92 PRO . 7058 1 102 93 LEU . 7058 1 103 94 GLY . 7058 1 104 95 LEU . 7058 1 105 96 ILE . 7058 1 106 97 ALA . 7058 1 107 98 TYR . 7058 1 108 99 LEU . 7058 1 109 100 SER . 7058 1 110 101 HIS . 7058 1 111 102 PHE . 7058 1 112 103 HIS . 7058 1 113 104 SER . 7058 1 114 105 ALA . 7058 1 115 106 PHE . 7058 1 116 107 LYS . 7058 1 117 108 SER . 7058 1 118 109 MET . 7058 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 7058 1 . GLY 2 2 7058 1 . HIS 3 3 7058 1 . HIS 4 4 7058 1 . HIS 5 5 7058 1 . HIS 6 6 7058 1 . HIS 7 7 7058 1 . HIS 8 8 7058 1 . MET 9 9 7058 1 . GLY 10 10 7058 1 . SER 11 11 7058 1 . ALA 12 12 7058 1 . GLY 13 13 7058 1 . THR 14 14 7058 1 . GLN 15 15 7058 1 . GLU 16 16 7058 1 . GLU 17 17 7058 1 . LEU 18 18 7058 1 . LEU 19 19 7058 1 . ARG 20 20 7058 1 . TRP 21 21 7058 1 . CYS 22 22 7058 1 . GLN 23 23 7058 1 . GLU 24 24 7058 1 . GLN 25 25 7058 1 . THR 26 26 7058 1 . ALA 27 27 7058 1 . GLY 28 28 7058 1 . TYR 29 29 7058 1 . PRO 30 30 7058 1 . GLY 31 31 7058 1 . VAL 32 32 7058 1 . HIS 33 33 7058 1 . VAL 34 34 7058 1 . SER 35 35 7058 1 . ASP 36 36 7058 1 . LEU 37 37 7058 1 . SER 38 38 7058 1 . SER 39 39 7058 1 . SER 40 40 7058 1 . TRP 41 41 7058 1 . ALA 42 42 7058 1 . ASP 43 43 7058 1 . GLY 44 44 7058 1 . LEU 45 45 7058 1 . ALA 46 46 7058 1 . LEU 47 47 7058 1 . CYS 48 48 7058 1 . ALA 49 49 7058 1 . LEU 50 50 7058 1 . VAL 51 51 7058 1 . TYR 52 52 7058 1 . ARG 53 53 7058 1 . LEU 54 54 7058 1 . GLN 55 55 7058 1 . PRO 56 56 7058 1 . GLY 57 57 7058 1 . LEU 58 58 7058 1 . LEU 59 59 7058 1 . GLU 60 60 7058 1 . PRO 61 61 7058 1 . SER 62 62 7058 1 . GLU 63 63 7058 1 . LEU 64 64 7058 1 . GLN 65 65 7058 1 . GLY 66 66 7058 1 . LEU 67 67 7058 1 . GLY 68 68 7058 1 . ALA 69 69 7058 1 . LEU 70 70 7058 1 . GLU 71 71 7058 1 . ALA 72 72 7058 1 . THR 73 73 7058 1 . ALA 74 74 7058 1 . TRP 75 75 7058 1 . ALA 76 76 7058 1 . LEU 77 77 7058 1 . LYS 78 78 7058 1 . VAL 79 79 7058 1 . ALA 80 80 7058 1 . GLU 81 81 7058 1 . ASN 82 82 7058 1 . GLU 83 83 7058 1 . LEU 84 84 7058 1 . GLY 85 85 7058 1 . ILE 86 86 7058 1 . THR 87 87 7058 1 . PRO 88 88 7058 1 . VAL 89 89 7058 1 . VAL 90 90 7058 1 . SER 91 91 7058 1 . ALA 92 92 7058 1 . GLN 93 93 7058 1 . ALA 94 94 7058 1 . VAL 95 95 7058 1 . VAL 96 96 7058 1 . ALA 97 97 7058 1 . GLY 98 98 7058 1 . SER 99 99 7058 1 . ASP 100 100 7058 1 . PRO 101 101 7058 1 . LEU 102 102 7058 1 . GLY 103 103 7058 1 . LEU 104 104 7058 1 . ILE 105 105 7058 1 . ALA 106 106 7058 1 . TYR 107 107 7058 1 . LEU 108 108 7058 1 . SER 109 109 7058 1 . HIS 110 110 7058 1 . PHE 111 111 7058 1 . HIS 112 112 7058 1 . SER 113 113 7058 1 . ALA 114 114 7058 1 . PHE 115 115 7058 1 . LYS 116 116 7058 1 . SER 117 117 7058 1 . MET 118 118 7058 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7058 _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 $calponin_homology_domain_of_human_MICAL_1 . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7058 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 7058 _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 $calponin_homology_domain_of_human_MICAL_1 . 'recombinant technology' . E.coli 'E.coli BL21 (DE3)' . Human 'homo spains' . . . . . . . . . . . . . plasmid . . p28 'N-terminal His tag' . . . . . 7058 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7058 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N-labeled MICAL_1 CH' _Sample.Aggregate_sample_number 1 _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 'MICAL_1 CH' [U-15N] . . 1 $calponin_homology_domain_of_human_MICAL_1 . protein 1.5 1.4 1.6 mM 0.1 . . . 7058 1 2 'phosphate buffer' . . . . . . . 50 49 51 mM 1 . . . 7058 1 3 NaCl . . . . . . . 50 49 51 mM 1 . . . 7058 1 4 D2O . . . . . . . 10 9 11 % 1 . . . 7058 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7058 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N- labeled MICAL-1 CH' _Sample.Aggregate_sample_number 1 _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 'MICAL_1 CH' '[U-13C; U-15N]' . . 1 $calponin_homology_domain_of_human_MICAL_1 . protein 1.5 1.4 1.6 mM 0.1 . . . 7058 2 2 'phosphate buffer' . . . . . . . 50 49 51 mM 1 . . . 7058 2 3 'phosphate buffer' . . . . . . . 50 49 51 mM 1 . . . 7058 2 4 D2O . . . . . . . 10 9 11 % 1 . . . 7058 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7058 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N- labeled MICAL-1 CH' _Sample.Aggregate_sample_number 1 _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 'MICAL_1 CH' '[U-13C; U-15N]' . . 1 $calponin_homology_domain_of_human_MICAL_1 . protein 1.5 . . mM 0.1 . . . 7058 3 2 'phosphate buffer' . . . . . . . 50 . . mM 0.1 . . . 7058 3 3 NaCl . . . . . . . 50 . . mM 0.1 . . . 7058 3 4 D2O . . . . . . . 99.96 . . % 1 . . . 7058 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7058 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.01 pH 7058 1 pressure 1 0.01 atm 7058 1 temperature 293 0.1 K 7058 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7058 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details F.Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data analysis' 7058 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 7058 _Software.ID 2 _Software.Name SPARKY _Software.Version 3 _Software.Details Goddard save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 7058 _Software.ID 3 _Software.Name CNS _Software.Version 1.1 _Software.Details Brunger save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 7058 _Software.ID 4 _Software.Name Molmol _Software.Version 2k.2 _Software.Details Koradi save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer_(example) _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer_(example) _NMR_spectrometer.Entry_ID 7058 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker DMX 500 MHz' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_600MHz_spectrometer_(example) _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer_(example) _NMR_spectrometer.Entry_ID 7058 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Bruker DMX 600 MHz' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7058 _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 1H15N_HSQC no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7058 1 2 CBCACONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7058 1 3 CBCANH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7058 1 4 HNCO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7058 1 5 HBHACBCACONH no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7058 1 6 HCCONH-tocsy no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7058 1 7 CCONH-tocsy no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7058 1 8 15N_NOESY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7058 1 9 13C_NOESY no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7058 1 10 HNCACO no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7058 1 11 HCCH-tocsy no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7058 1 12 HCCH-cosy no . . . . . . . . . . . . . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7058 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 7058 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N 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_CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONH _NMR_spec_expt.Entry_ID 7058 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCACONH _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_CBCANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCANH _NMR_spec_expt.Entry_ID 7058 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCANH _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_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7058 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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_HBHACBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHACBCACONH _NMR_spec_expt.Entry_ID 7058 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HBHACBCACONH _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_HCCONH-tocsy _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCONH-tocsy _NMR_spec_expt.Entry_ID 7058 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCONH-tocsy _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CCONH-tocsy _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CCONH-tocsy _NMR_spec_expt.Entry_ID 7058 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CCONH-tocsy _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_NOESY _NMR_spec_expt.Entry_ID 7058 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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_13C_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_NOESY _NMR_spec_expt.Entry_ID 7058 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '13C 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_HNCACO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACO _NMR_spec_expt.Entry_ID 7058 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNCACO _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_HCCH-tocsy _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-tocsy _NMR_spec_expt.Entry_ID 7058 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCH-tocsy _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-cosy _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-cosy _NMR_spec_expt.Entry_ID 7058 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name HCCH-cosy _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_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7058 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7058 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7058 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7058 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7058 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 1H15N_HSQC 1 $sample_1 isotropic 7058 1 2 CBCACONH 2 $sample_2 isotropic 7058 1 3 CBCANH 2 $sample_2 isotropic 7058 1 4 HNCO 2 $sample_2 isotropic 7058 1 5 HBHACBCACONH 2 $sample_2 isotropic 7058 1 6 HCCONH-tocsy 2 $sample_2 isotropic 7058 1 7 CCONH-tocsy 2 $sample_2 isotropic 7058 1 8 15N_NOESY 2 $sample_2 isotropic 7058 1 9 13C_NOESY 3 $sample_3 isotropic 7058 1 10 HNCACO 2 $sample_2 isotropic 7058 1 11 HCCH-tocsy 3 $sample_3 isotropic 7058 1 12 HCCH-cosy 3 $sample_3 isotropic 7058 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 7058 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 9 9 MET H H 1 8.59 0.01 . 1 . . . . 0 M NH . 7058 1 2 . 1 1 9 9 MET HA H 1 4.471 0.01 . 1 . . . . 0 M HA . 7058 1 3 . 1 1 9 9 MET HB2 H 1 2.056 0.01 . 1 . . . . 0 M HB1 . 7058 1 4 . 1 1 9 9 MET HB3 H 1 2.056 0.01 . 1 . . . . 0 M HB2 . 7058 1 5 . 1 1 9 9 MET HG2 H 1 2.471 0.01 . 1 . . . . 0 M HG1 . 7058 1 6 . 1 1 9 9 MET HG3 H 1 2.54 0.01 . 1 . . . . 0 M HG2 . 7058 1 7 . 1 1 9 9 MET C C 13 176.606 0.1 . 1 . . . . 0 M CO . 7058 1 8 . 1 1 9 9 MET CA C 13 55.398 0.1 . 1 . . . . 0 M CA . 7058 1 9 . 1 1 9 9 MET CB C 13 32.346 0.1 . 1 . . . . 0 M CB . 7058 1 10 . 1 1 9 9 MET CG C 13 31.955 0.1 . 1 . . . . 0 M CG . 7058 1 11 . 1 1 9 9 MET N N 15 122.519 0.1 . 1 . . . . 0 M N . 7058 1 12 . 1 1 10 10 GLY H H 1 8.448 0.01 . 1 . . . . 1 G NH . 7058 1 13 . 1 1 10 10 GLY HA2 H 1 3.997 0.01 . 1 . . . . 1 G HA1 . 7058 1 14 . 1 1 10 10 GLY HA3 H 1 3.997 0.01 . 1 . . . . 1 G HA2 . 7058 1 15 . 1 1 10 10 GLY C C 13 174.118 0.1 . 1 . . . . 1 G CO . 7058 1 16 . 1 1 10 10 GLY CA C 13 45.16 0.1 . 1 . . . . 1 G CA . 7058 1 17 . 1 1 10 10 GLY N N 15 110.335 0.1 . 1 . . . . 1 G N . 7058 1 18 . 1 1 11 11 SER H H 1 8.328 0.01 . 1 . . . . 2 S NH . 7058 1 19 . 1 1 11 11 SER HA H 1 4.473 0.01 . 1 . . . . 2 S HA . 7058 1 20 . 1 1 11 11 SER HB2 H 1 3.898 0.01 . 1 . . . . 2 S HB1 . 7058 1 21 . 1 1 11 11 SER HB3 H 1 3.898 0.01 . 1 . . . . 2 S HB2 . 7058 1 22 . 1 1 11 11 SER C C 13 174.639 0.1 . 1 . . . . 2 S CO . 7058 1 23 . 1 1 11 11 SER CA C 13 58.191 0.1 . 1 . . . . 2 S CA . 7058 1 24 . 1 1 11 11 SER CB C 13 63.748 0.1 . 1 . . . . 2 S CB . 7058 1 25 . 1 1 11 11 SER N N 15 115.931 0.1 . 1 . . . . 2 S N . 7058 1 26 . 1 1 12 12 ALA H H 1 8.582 0.01 . 1 . . . . 3 A NH . 7058 1 27 . 1 1 12 12 ALA HA H 1 4.332 0.01 . 1 . . . . 3 A HA . 7058 1 28 . 1 1 12 12 ALA HB1 H 1 1.399 0.01 . 1 . . . . 3 A HB# . 7058 1 29 . 1 1 12 12 ALA HB2 H 1 1.399 0.01 . 1 . . . . 3 A HB# . 7058 1 30 . 1 1 12 12 ALA HB3 H 1 1.399 0.01 . 1 . . . . 3 A HB# . 7058 1 31 . 1 1 12 12 ALA C C 13 178.475 0.1 . 1 . . . . 3 A CO . 7058 1 32 . 1 1 12 12 ALA CA C 13 52.935 0.1 . 1 . . . . 3 A CA . 7058 1 33 . 1 1 12 12 ALA CB C 13 19.293 0.1 . 1 . . . . 3 A CB . 7058 1 34 . 1 1 12 12 ALA N N 15 126.079 0.1 . 1 . . . . 3 A N . 7058 1 35 . 1 1 13 13 GLY H H 1 8.455 0.01 . 1 . . . . 4 G NH . 7058 1 36 . 1 1 13 13 GLY HA2 H 1 4.067 0.01 . 1 . . . . 4 G HA1 . 7058 1 37 . 1 1 13 13 GLY HA3 H 1 4.067 0.01 . 1 . . . . 4 G HA2 . 7058 1 38 . 1 1 13 13 GLY C C 13 175.075 0.1 . 1 . . . . 4 G CO . 7058 1 39 . 1 1 13 13 GLY CA C 13 45.447 0.1 . 1 . . . . 4 G CA . 7058 1 40 . 1 1 13 13 GLY N N 15 108.112 0.1 . 1 . . . . 4 G N . 7058 1 41 . 1 1 14 14 THR H H 1 8.181 0.01 . 1 . . . . 5 T NH . 7058 1 42 . 1 1 14 14 THR HA H 1 4.394 0.01 . 1 . . . . 5 T HA . 7058 1 43 . 1 1 14 14 THR HB H 1 4.513 0.01 . 1 . . . . 5 T HB . 7058 1 44 . 1 1 14 14 THR HG21 H 1 1.291 0.01 . 1 . . . . 5 T HG2# . 7058 1 45 . 1 1 14 14 THR HG22 H 1 1.291 0.01 . 1 . . . . 5 T HG2# . 7058 1 46 . 1 1 14 14 THR HG23 H 1 1.291 0.01 . 1 . . . . 5 T HG2# . 7058 1 47 . 1 1 14 14 THR C C 13 176.416 0.1 . 1 . . . . 5 T CO . 7058 1 48 . 1 1 14 14 THR CA C 13 62.224 0.1 . 1 . . . . 5 T CA . 7058 1 49 . 1 1 14 14 THR CB C 13 70.049 0.1 . 1 . . . . 5 T CB . 7058 1 50 . 1 1 14 14 THR CG2 C 13 21.783 0.1 . 1 . . . . 5 T CG2 . 7058 1 51 . 1 1 14 14 THR N N 15 113.017 0.1 . 1 . . . . 5 T N . 7058 1 52 . 1 1 15 15 GLN H H 1 8.853 0.01 . 1 . . . . 6 Q NH . 7058 1 53 . 1 1 15 15 GLN HA H 1 4.061 0.01 . 1 . . . . 6 Q HA . 7058 1 54 . 1 1 15 15 GLN HB2 H 1 2.157 0.01 . 1 . . . . 6 Q HB1 . 7058 1 55 . 1 1 15 15 GLN HB3 H 1 2.048 0.01 . 1 . . . . 6 Q HB2 . 7058 1 56 . 1 1 15 15 GLN HG2 H 1 2.243 0.01 . 1 . . . . 6 Q HG1 . 7058 1 57 . 1 1 15 15 GLN HG3 H 1 2.486 0.01 . 1 . . . . 6 Q HG2 . 7058 1 58 . 1 1 15 15 GLN HE21 H 1 7.561 0.01 . 1 . . . . 6 Q HE21 . 7058 1 59 . 1 1 15 15 GLN HE22 H 1 6.8 0.01 . 1 . . . . 6 Q HE22 . 7058 1 60 . 1 1 15 15 GLN C C 13 177.788 0.1 . 1 . . . . 6 Q CO . 7058 1 61 . 1 1 15 15 GLN CA C 13 59.155 0.1 . 1 . . . . 6 Q CA . 7058 1 62 . 1 1 15 15 GLN CB C 13 27.902 0.1 . 1 . . . . 6 Q CB . 7058 1 63 . 1 1 15 15 GLN CG C 13 34.63 0.1 . 1 . . . . 6 Q CG . 7058 1 64 . 1 1 15 15 GLN N N 15 121.641 0.1 . 1 . . . . 6 Q N . 7058 1 65 . 1 1 15 15 GLN NE2 N 15 110.666 0.1 . 1 . . . . 6 Q NE2 . 7058 1 66 . 1 1 16 16 GLU H H 1 8.507 0.01 . 1 . . . . 7 E NH . 7058 1 67 . 1 1 16 16 GLU HA H 1 4.037 0.01 . 1 . . . . 7 E HA . 7058 1 68 . 1 1 16 16 GLU HB2 H 1 2.027 0.01 . 1 . . . . 7 E HB1 . 7058 1 69 . 1 1 16 16 GLU HB3 H 1 2.145 0.01 . 1 . . . . 7 E HB2 . 7058 1 70 . 1 1 16 16 GLU HG2 H 1 2.37 0.01 . 1 . . . . 7 E HG1 . 7058 1 71 . 1 1 16 16 GLU HG3 H 1 2.37 0.01 . 1 . . . . 7 E HG2 . 7058 1 72 . 1 1 16 16 GLU C C 13 178.947 0.1 . 1 . . . . 7 E CO . 7058 1 73 . 1 1 16 16 GLU CA C 13 60.2 0.1 . 1 . . . . 7 E CA . 7058 1 74 . 1 1 16 16 GLU CB C 13 29.073 0.1 . 1 . . . . 7 E CB . 7058 1 75 . 1 1 16 16 GLU CG C 13 36.505 0.1 . 1 . . . . 7 E CG . 7058 1 76 . 1 1 16 16 GLU N N 15 120.574 0.1 . 1 . . . . 7 E N . 7058 1 77 . 1 1 17 17 GLU H H 1 7.951 0.01 . 1 . . . . 8 E NH . 7058 1 78 . 1 1 17 17 GLU HA H 1 4.099 0.01 . 1 . . . . 8 E HA . 7058 1 79 . 1 1 17 17 GLU HB2 H 1 2.171 0.01 . 1 . . . . 8 E HB1 . 7058 1 80 . 1 1 17 17 GLU HB3 H 1 2.031 0.01 . 1 . . . . 8 E HB2 . 7058 1 81 . 1 1 17 17 GLU HG2 H 1 2.332 0.01 . 1 . . . . 8 E HG1 . 7058 1 82 . 1 1 17 17 GLU HG3 H 1 2.369 0.01 . 1 . . . . 8 E HG2 . 7058 1 83 . 1 1 17 17 GLU C C 13 178.776 0.1 . 1 . . . . 8 E CO . 7058 1 84 . 1 1 17 17 GLU CA C 13 59.102 0.1 . 1 . . . . 8 E CA . 7058 1 85 . 1 1 17 17 GLU CB C 13 29.337 0.1 . 1 . . . . 8 E CB . 7058 1 86 . 1 1 17 17 GLU CG C 13 36.185 0.1 . 1 . . . . 8 E CG . 7058 1 87 . 1 1 17 17 GLU N N 15 120.467 0.1 . 1 . . . . 8 E N . 7058 1 88 . 1 1 18 18 LEU H H 1 7.953 0.01 . 1 . . . . 9 L NH . 7058 1 89 . 1 1 18 18 LEU HA H 1 3.765 0.01 . 1 . . . . 9 L HA . 7058 1 90 . 1 1 18 18 LEU HB2 H 1 2.003 0.01 . 1 . . . . 9 L HB1 . 7058 1 91 . 1 1 18 18 LEU HB3 H 1 1.517 0.01 . 1 . . . . 9 L HB2 . 7058 1 92 . 1 1 18 18 LEU HG H 1 1.466 0.01 . 1 . . . . 9 L HG . 7058 1 93 . 1 1 18 18 LEU HD11 H 1 0.885 0.01 . 1 . . . . 9 L HD1# . 7058 1 94 . 1 1 18 18 LEU HD12 H 1 0.885 0.01 . 1 . . . . 9 L HD1# . 7058 1 95 . 1 1 18 18 LEU HD13 H 1 0.885 0.01 . 1 . . . . 9 L HD1# . 7058 1 96 . 1 1 18 18 LEU HD21 H 1 0.791 0.01 . 1 . . . . 9 L HD2# . 7058 1 97 . 1 1 18 18 LEU HD22 H 1 0.791 0.01 . 1 . . . . 9 L HD2# . 7058 1 98 . 1 1 18 18 LEU HD23 H 1 0.791 0.01 . 1 . . . . 9 L HD2# . 7058 1 99 . 1 1 18 18 LEU C C 13 178.656 0.1 . 1 . . . . 9 L CO . 7058 1 100 . 1 1 18 18 LEU CA C 13 57.89 0.1 . 1 . . . . 9 L CA . 7058 1 101 . 1 1 18 18 LEU CB C 13 41.486 0.1 . 1 . . . . 9 L CB . 7058 1 102 . 1 1 18 18 LEU CG C 13 26.944 0.1 . 1 . . . . 9 L CG . 7058 1 103 . 1 1 18 18 LEU CD1 C 13 26.335 0.1 . 1 . . . . 9 L CD1 . 7058 1 104 . 1 1 18 18 LEU CD2 C 13 23.417 0.1 . 1 . . . . 9 L CD2 . 7058 1 105 . 1 1 18 18 LEU N N 15 121.765 0.1 . 1 . . . . 9 L N . 7058 1 106 . 1 1 19 19 LEU H H 1 8.433 0.01 . 1 . . . . 10 L NH . 7058 1 107 . 1 1 19 19 LEU HA H 1 4.02 0.01 . 1 . . . . 10 L HA . 7058 1 108 . 1 1 19 19 LEU HB2 H 1 1.409 0.01 . 1 . . . . 10 L HB1 . 7058 1 109 . 1 1 19 19 LEU HB3 H 1 2.038 0.01 . 1 . . . . 10 L HB2 . 7058 1 110 . 1 1 19 19 LEU HG H 1 1.353 0.01 . 1 . . . . 10 L HG . 7058 1 111 . 1 1 19 19 LEU HD11 H 1 0.877 0.01 . 1 . . . . 10 L HD1# . 7058 1 112 . 1 1 19 19 LEU HD12 H 1 0.877 0.01 . 1 . . . . 10 L HD1# . 7058 1 113 . 1 1 19 19 LEU HD13 H 1 0.877 0.01 . 1 . . . . 10 L HD1# . 7058 1 114 . 1 1 19 19 LEU HD21 H 1 0.699 0.01 . 1 . . . . 10 L HD2# . 7058 1 115 . 1 1 19 19 LEU HD22 H 1 0.699 0.01 . 1 . . . . 10 L HD2# . 7058 1 116 . 1 1 19 19 LEU HD23 H 1 0.699 0.01 . 1 . . . . 10 L HD2# . 7058 1 117 . 1 1 19 19 LEU C C 13 177.87 0.1 . 1 . . . . 10 L CO . 7058 1 118 . 1 1 19 19 LEU CA C 13 58.977 0.1 . 1 . . . . 10 L CA . 7058 1 119 . 1 1 19 19 LEU CB C 13 41 0.1 . 1 . . . . 10 L CB . 7058 1 120 . 1 1 19 19 LEU CG C 13 26.892 0.1 . 1 . . . . 10 L CG . 7058 1 121 . 1 1 19 19 LEU CD1 C 13 25.944 0.1 . 1 . . . . 10 L CD1 . 7058 1 122 . 1 1 19 19 LEU CD2 C 13 23.466 0.1 . 1 . . . . 10 L CD2 . 7058 1 123 . 1 1 19 19 LEU N N 15 120.129 0.1 . 1 . . . . 10 L N . 7058 1 124 . 1 1 20 20 ARG H H 1 8.018 0.01 . 1 . . . . 11 R NH . 7058 1 125 . 1 1 20 20 ARG HA H 1 4.29 0.01 . 1 . . . . 11 R HA . 7058 1 126 . 1 1 20 20 ARG HB2 H 1 2.007 0.01 . 1 . . . . 11 R HB1 . 7058 1 127 . 1 1 20 20 ARG HB3 H 1 2.007 0.01 . 1 . . . . 11 R HB2 . 7058 1 128 . 1 1 20 20 ARG HG2 H 1 1.736 0.01 . 1 . . . . 11 R HG1 . 7058 1 129 . 1 1 20 20 ARG HG3 H 1 1.841 0.01 . 1 . . . . 11 R HG2 . 7058 1 130 . 1 1 20 20 ARG HD2 H 1 3.303 0.01 . 1 . . . . 11 R HD1 . 7058 1 131 . 1 1 20 20 ARG HD3 H 1 3.303 0.01 . 1 . . . . 11 R HD2 . 7058 1 132 . 1 1 20 20 ARG C C 13 178.804 0.1 . 1 . . . . 11 R CO . 7058 1 133 . 1 1 20 20 ARG CA C 13 59.33 0.1 . 1 . . . . 11 R CA . 7058 1 134 . 1 1 20 20 ARG CB C 13 29.802 0.1 . 1 . . . . 11 R CB . 7058 1 135 . 1 1 20 20 ARG CG C 13 27.162 0.1 . 1 . . . . 11 R CG . 7058 1 136 . 1 1 20 20 ARG CD C 13 43.112 0.1 . 1 . . . . 11 R CD . 7058 1 137 . 1 1 20 20 ARG N N 15 117.878 0.1 . 1 . . . . 11 R N . 7058 1 138 . 1 1 21 21 TRP H H 1 8.413 0.01 . 1 . . . . 12 W NH . 7058 1 139 . 1 1 21 21 TRP HA H 1 4.371 0.01 . 1 . . . . 12 W HA . 7058 1 140 . 1 1 21 21 TRP HB2 H 1 3.356 0.01 . 1 . . . . 12 W HB1 . 7058 1 141 . 1 1 21 21 TRP HB3 H 1 3.356 0.01 . 1 . . . . 12 W HB2 . 7058 1 142 . 1 1 21 21 TRP HD1 H 1 7.573 0.01 . 1 . . . . 12 W HD1 . 7058 1 143 . 1 1 21 21 TRP HE1 H 1 10.392 0.01 . 1 . . . . 12 W HE1 . 7058 1 144 . 1 1 21 21 TRP HE3 H 1 7.746 0.01 . 1 . . . . 12 W HE3 . 7058 1 145 . 1 1 21 21 TRP HZ2 H 1 7.111 0.01 . 1 . . . . 12 W HZ2 . 7058 1 146 . 1 1 21 21 TRP HZ3 H 1 6.646 0.01 . 1 . . . . 12 W HZ3 . 7058 1 147 . 1 1 21 21 TRP C C 13 178.748 0.1 . 1 . . . . 12 W CO . 7058 1 148 . 1 1 21 21 TRP CA C 13 62.654 0.1 . 1 . . . . 12 W CA . 7058 1 149 . 1 1 21 21 TRP CB C 13 28.306 0.1 . 1 . . . . 12 W CB . 7058 1 150 . 1 1 21 21 TRP N N 15 120.568 0.1 . 1 . . . . 12 W N . 7058 1 151 . 1 1 21 21 TRP NE1 N 15 131.005 0.1 . 1 . . . . 12 W NE1 . 7058 1 152 . 1 1 22 22 CYS H H 1 8.91 0.01 . 1 . . . . 13 C NH . 7058 1 153 . 1 1 22 22 CYS HA H 1 3.71 0.01 . 1 . . . . 13 C HA . 7058 1 154 . 1 1 22 22 CYS HB2 H 1 2.865 0.01 . 1 . . . . 13 C HB1 . 7058 1 155 . 1 1 22 22 CYS HB3 H 1 3.558 0.01 . 1 . . . . 13 C HB2 . 7058 1 156 . 1 1 22 22 CYS C C 13 178.763 0.1 . 1 . . . . 13 C CO . 7058 1 157 . 1 1 22 22 CYS CA C 13 65.118 0.1 . 1 . . . . 13 C CA . 7058 1 158 . 1 1 22 22 CYS CB C 13 27.969 0.1 . 1 . . . . 13 C CB . 7058 1 159 . 1 1 22 22 CYS N N 15 116.916 0.1 . 1 . . . . 13 C N . 7058 1 160 . 1 1 23 23 GLN H H 1 8.804 0.01 . 1 . . . . 14 Q NH . 7058 1 161 . 1 1 23 23 GLN HA H 1 3.633 0.01 . 1 . . . . 14 Q HA . 7058 1 162 . 1 1 23 23 GLN HB2 H 1 1.923 0.01 . 1 . . . . 14 Q HB1 . 7058 1 163 . 1 1 23 23 GLN HB3 H 1 2.564 0.01 . 1 . . . . 14 Q HB2 . 7058 1 164 . 1 1 23 23 GLN HG2 H 1 2.567 0.01 . 1 . . . . 14 Q HG1 . 7058 1 165 . 1 1 23 23 GLN HG3 H 1 2.363 0.01 . 1 . . . . 14 Q HG2 . 7058 1 166 . 1 1 23 23 GLN HE21 H 1 6.834 0.01 . 1 . . . . 14 Q HE21 . 7058 1 167 . 1 1 23 23 GLN HE22 H 1 7.402 0.01 . 1 . . . . 14 Q HE22 . 7058 1 168 . 1 1 23 23 GLN C C 13 177.741 0.1 . 1 . . . . 14 Q CO . 7058 1 169 . 1 1 23 23 GLN CA C 13 59.734 0.1 . 1 . . . . 14 Q CA . 7058 1 170 . 1 1 23 23 GLN CB C 13 27.974 0.1 . 1 . . . . 14 Q CB . 7058 1 171 . 1 1 23 23 GLN CG C 13 34.28 0.1 . 1 . . . . 14 Q CG . 7058 1 172 . 1 1 23 23 GLN N N 15 120.898 0.1 . 1 . . . . 14 Q N . 7058 1 173 . 1 1 23 23 GLN NE2 N 15 109.691 0.1 . 1 . . . . 14 Q NE2 . 7058 1 174 . 1 1 24 24 GLU H H 1 8.213 0.01 . 1 . . . . 15 E NH . 7058 1 175 . 1 1 24 24 GLU HA H 1 3.985 0.01 . 1 . . . . 15 E HA . 7058 1 176 . 1 1 24 24 GLU HB2 H 1 2.162 0.01 . 1 . . . . 15 E HB1 . 7058 1 177 . 1 1 24 24 GLU HB3 H 1 2.014 0.01 . 1 . . . . 15 E HB2 . 7058 1 178 . 1 1 24 24 GLU HG2 H 1 2.448 0.01 . 1 . . . . 15 E HG1 . 7058 1 179 . 1 1 24 24 GLU HG3 H 1 2.169 0.01 . 1 . . . . 15 E HG2 . 7058 1 180 . 1 1 24 24 GLU C C 13 179.725 0.1 . 1 . . . . 15 E CO . 7058 1 181 . 1 1 24 24 GLU CA C 13 59.174 0.1 . 1 . . . . 15 E CA . 7058 1 182 . 1 1 24 24 GLU CB C 13 29.322 0.1 . 1 . . . . 15 E CB . 7058 1 183 . 1 1 24 24 GLU CG C 13 36.211 0.1 . 1 . . . . 15 E CG . 7058 1 184 . 1 1 24 24 GLU N N 15 119.861 0.1 . 1 . . . . 15 E N . 7058 1 185 . 1 1 25 25 GLN H H 1 8.036 0.01 . 1 . . . . 16 Q NH . 7058 1 186 . 1 1 25 25 GLN HA H 1 3.884 0.01 . 1 . . . . 16 Q HA . 7058 1 187 . 1 1 25 25 GLN HB2 H 1 1.18 0.01 . 1 . . . . 16 Q HB1 . 7058 1 188 . 1 1 25 25 GLN HB3 H 1 1.733 0.01 . 1 . . . . 16 Q HB2 . 7058 1 189 . 1 1 25 25 GLN HG2 H 1 1.242 0.01 . 1 . . . . 16 Q HG1 . 7058 1 190 . 1 1 25 25 GLN HG3 H 1 0.54 0.01 . 1 . . . . 16 Q HG2 . 7058 1 191 . 1 1 25 25 GLN HE21 H 1 6.614 0.01 . 1 . . . . 16 Q HE11 . 7058 1 192 . 1 1 25 25 GLN HE22 H 1 7.451 0.01 . 1 . . . . 16 Q HE12 . 7058 1 193 . 1 1 25 25 GLN C C 13 177.268 0.1 . 1 . . . . 16 Q CO . 7058 1 194 . 1 1 25 25 GLN CA C 13 56.541 0.1 . 1 . . . . 16 Q CA . 7058 1 195 . 1 1 25 25 GLN CB C 13 28.728 0.1 . 1 . . . . 16 Q CB . 7058 1 196 . 1 1 25 25 GLN CG C 13 31.168 0.1 . 1 . . . . 16 Q CG . 7058 1 197 . 1 1 25 25 GLN N N 15 114.057 0.1 . 1 . . . . 16 Q N . 7058 1 198 . 1 1 25 25 GLN NE2 N 15 111.315 0.1 . 1 . . . . 16 Q NE2 . 7058 1 199 . 1 1 26 26 THR H H 1 7.071 0.01 . 1 . . . . 17 T NH . 7058 1 200 . 1 1 26 26 THR HA H 1 4.03 0.01 . 1 . . . . 17 T HA . 7058 1 201 . 1 1 26 26 THR HB H 1 4.19 0.01 . 1 . . . . 17 T HB . 7058 1 202 . 1 1 26 26 THR HG21 H 1 0.999 0.01 . 1 . . . . 17 T HG2# . 7058 1 203 . 1 1 26 26 THR HG22 H 1 0.999 0.01 . 1 . . . . 17 T HG2# . 7058 1 204 . 1 1 26 26 THR HG23 H 1 0.999 0.01 . 1 . . . . 17 T HG2# . 7058 1 205 . 1 1 26 26 THR C C 13 173.815 0.1 . 1 . . . . 17 T CO . 7058 1 206 . 1 1 26 26 THR CA C 13 61.585 0.1 . 1 . . . . 17 T CA . 7058 1 207 . 1 1 26 26 THR CB C 13 70.046 0.1 . 1 . . . . 17 T CB . 7058 1 208 . 1 1 26 26 THR CG2 C 13 21.129 0.1 . 1 . . . . 17 T CG2 . 7058 1 209 . 1 1 26 26 THR N N 15 102.906 0.1 . 1 . . . . 17 T N . 7058 1 210 . 1 1 27 27 ALA H H 1 6.899 0.01 . 1 . . . . 18 A NH . 7058 1 211 . 1 1 27 27 ALA HA H 1 4.118 0.01 . 1 . . . . 18 A HA . 7058 1 212 . 1 1 27 27 ALA HB1 H 1 1.429 0.01 . 1 . . . . 18 A HB# . 7058 1 213 . 1 1 27 27 ALA HB2 H 1 1.429 0.01 . 1 . . . . 18 A HB# . 7058 1 214 . 1 1 27 27 ALA HB3 H 1 1.429 0.01 . 1 . . . . 18 A HB# . 7058 1 215 . 1 1 27 27 ALA C C 13 179.141 0.1 . 1 . . . . 18 A CO . 7058 1 216 . 1 1 27 27 ALA CA C 13 53.686 0.1 . 1 . . . . 18 A CA . 7058 1 217 . 1 1 27 27 ALA CB C 13 18.62 0.1 . 1 . . . . 18 A CB . 7058 1 218 . 1 1 27 27 ALA N N 15 124.066 0.1 . 1 . . . . 18 A N . 7058 1 219 . 1 1 28 28 GLY H H 1 8.733 0.01 . 1 . . . . 19 G NH . 7058 1 220 . 1 1 28 28 GLY HA2 H 1 4.145 0.01 . 1 . . . . 19 G HA1 . 7058 1 221 . 1 1 28 28 GLY HA3 H 1 3.675 0.01 . 1 . . . . 19 G HA2 . 7058 1 222 . 1 1 28 28 GLY C C 13 174.057 0.1 . 1 . . . . 19 G CO . 7058 1 223 . 1 1 28 28 GLY CA C 13 45.335 0.1 . 1 . . . . 19 G CA . 7058 1 224 . 1 1 28 28 GLY N N 15 110.963 0.1 . 1 . . . . 19 G N . 7058 1 225 . 1 1 29 29 TYR H H 1 7.873 0.01 . 1 . . . . 20 Y NH . 7058 1 226 . 1 1 29 29 TYR HA H 1 4.527 0.01 . 1 . . . . 20 Y HA . 7058 1 227 . 1 1 29 29 TYR HB2 H 1 2.714 0.01 . 1 . . . . 20 Y HB1 . 7058 1 228 . 1 1 29 29 TYR HB3 H 1 2.837 0.01 . 1 . . . . 20 Y HB2 . 7058 1 229 . 1 1 29 29 TYR HD1 H 1 6.525 0.01 . 1 . . . . 20 Y HD1 . 7058 1 230 . 1 1 29 29 TYR HD2 H 1 6.953 0.01 . 1 . . . . 20 Y HD2 . 7058 1 231 . 1 1 29 29 TYR HE1 H 1 7.481 0.01 . 1 . . . . 20 Y HE1 . 7058 1 232 . 1 1 29 29 TYR HE2 H 1 7.662 0.01 . 1 . . . . 20 Y HE2 . 7058 1 233 . 1 1 29 29 TYR CA C 13 56.602 0.1 . 1 . . . . 20 Y CA . 7058 1 234 . 1 1 29 29 TYR CB C 13 38.901 0.1 . 1 . . . . 20 Y CB . 7058 1 235 . 1 1 29 29 TYR N N 15 125.71 0.1 . 1 . . . . 20 Y N . 7058 1 236 . 1 1 30 30 PRO HA H 1 4.171 0.01 . 1 . . . . 21 P HA . 7058 1 237 . 1 1 30 30 PRO HB2 H 1 1.739 0.01 . 1 . . . . 21 P HB1 . 7058 1 238 . 1 1 30 30 PRO HB3 H 1 2.089 0.01 . 1 . . . . 21 P HB2 . 7058 1 239 . 1 1 30 30 PRO HG2 H 1 2.652 0.01 . 1 . . . . 21 P HG1 . 7058 1 240 . 1 1 30 30 PRO HG3 H 1 2.652 0.01 . 1 . . . . 21 P HG2 . 7058 1 241 . 1 1 30 30 PRO HD2 H 1 2.417 0.01 . 1 . . . . 21 P HD1 . 7058 1 242 . 1 1 30 30 PRO HD3 H 1 3.497 0.01 . 1 . . . . 21 P HD2 . 7058 1 243 . 1 1 30 30 PRO C C 13 177.141 0.1 . 1 . . . . 21 P CO . 7058 1 244 . 1 1 30 30 PRO CA C 13 63.921 0.1 . 1 . . . . 21 P CA . 7058 1 245 . 1 1 30 30 PRO CB C 13 31.335 0.1 . 1 . . . . 21 P CB . 7058 1 246 . 1 1 30 30 PRO CG C 13 30.852 0.1 . 1 . . . . 21 P CG . 7058 1 247 . 1 1 30 30 PRO CD C 13 50.262 0.1 . 1 . . . . 21 P CD . 7058 1 248 . 1 1 31 31 GLY H H 1 8.584 0.01 . 1 . . . . 22 G NH . 7058 1 249 . 1 1 31 31 GLY HA2 H 1 3.658 0.01 . 1 . . . . 22 G HA1 . 7058 1 250 . 1 1 31 31 GLY HA3 H 1 4.123 0.01 . 1 . . . . 22 G HA2 . 7058 1 251 . 1 1 31 31 GLY C C 13 174.15 0.1 . 1 . . . . 22 G CO . 7058 1 252 . 1 1 31 31 GLY CA C 13 45.235 0.1 . 1 . . . . 22 G CA . 7058 1 253 . 1 1 31 31 GLY N N 15 109.585 0.1 . 1 . . . . 22 G N . 7058 1 254 . 1 1 32 32 VAL H H 1 7.437 0.01 . 1 . . . . 23 V NH . 7058 1 255 . 1 1 32 32 VAL HA H 1 3.872 0.01 . 1 . . . . 23 V HA . 7058 1 256 . 1 1 32 32 VAL HB H 1 1.997 0.01 . 1 . . . . 23 V HB . 7058 1 257 . 1 1 32 32 VAL HG11 H 1 0.701 0.01 . 1 . . . . 23 V HG1# . 7058 1 258 . 1 1 32 32 VAL HG12 H 1 0.701 0.01 . 1 . . . . 23 V HG1# . 7058 1 259 . 1 1 32 32 VAL HG13 H 1 0.701 0.01 . 1 . . . . 23 V HG1# . 7058 1 260 . 1 1 32 32 VAL HG21 H 1 0.708 0.01 . 1 . . . . 23 V HG2# . 7058 1 261 . 1 1 32 32 VAL HG22 H 1 0.708 0.01 . 1 . . . . 23 V HG2# . 7058 1 262 . 1 1 32 32 VAL HG23 H 1 0.708 0.01 . 1 . . . . 23 V HG2# . 7058 1 263 . 1 1 32 32 VAL C C 13 175.075 0.1 . 1 . . . . 23 V CO . 7058 1 264 . 1 1 32 32 VAL CA C 13 61.742 0.1 . 1 . . . . 23 V CA . 7058 1 265 . 1 1 32 32 VAL CB C 13 33.145 0.1 . 1 . . . . 23 V CB . 7058 1 266 . 1 1 32 32 VAL CG1 C 13 23.328 0.1 . 1 . . . . 23 V CG1 . 7058 1 267 . 1 1 32 32 VAL CG2 C 13 21.384 0.1 . 1 . . . . 23 V CG2 . 7058 1 268 . 1 1 32 32 VAL N N 15 120.016 0.1 . 1 . . . . 23 V N . 7058 1 269 . 1 1 33 33 HIS H H 1 8.897 0.01 . 1 . . . . 24 H NH . 7058 1 270 . 1 1 33 33 HIS HA H 1 4.558 0.01 . 1 . . . . 24 H HA . 7058 1 271 . 1 1 33 33 HIS HB2 H 1 3.061 0.01 . 1 . . . . 24 H HB1 . 7058 1 272 . 1 1 33 33 HIS HB3 H 1 3.061 0.01 . 1 . . . . 24 H HB2 . 7058 1 273 . 1 1 33 33 HIS C C 13 173.114 0.1 . 1 . . . . 24 H CO . 7058 1 274 . 1 1 33 33 HIS CA C 13 54.936 0.1 . 1 . . . . 24 H CA . 7058 1 275 . 1 1 33 33 HIS CB C 13 29.079 0.1 . 1 . . . . 24 H CB . 7058 1 276 . 1 1 33 33 HIS N N 15 126.455 0.1 . 1 . . . . 24 H N . 7058 1 277 . 1 1 34 34 VAL H H 1 8.91 0.01 . 1 . . . . 25 V NH . 7058 1 278 . 1 1 34 34 VAL HA H 1 3.607 0.01 . 1 . . . . 25 V HA . 7058 1 279 . 1 1 34 34 VAL HB H 1 1.726 0.01 . 1 . . . . 25 V HB . 7058 1 280 . 1 1 34 34 VAL HG11 H 1 0.967 0.01 . 1 . . . . 25 V HG1# . 7058 1 281 . 1 1 34 34 VAL HG12 H 1 0.967 0.01 . 1 . . . . 25 V HG1# . 7058 1 282 . 1 1 34 34 VAL HG13 H 1 0.967 0.01 . 1 . . . . 25 V HG1# . 7058 1 283 . 1 1 34 34 VAL HG21 H 1 0.209 0.01 . 1 . . . . 25 V HG2# . 7058 1 284 . 1 1 34 34 VAL HG22 H 1 0.209 0.01 . 1 . . . . 25 V HG2# . 7058 1 285 . 1 1 34 34 VAL HG23 H 1 0.209 0.01 . 1 . . . . 25 V HG2# . 7058 1 286 . 1 1 34 34 VAL C C 13 175.543 0.1 . 1 . . . . 25 V CO . 7058 1 287 . 1 1 34 34 VAL CA C 13 63.698 0.1 . 1 . . . . 25 V CA . 7058 1 288 . 1 1 34 34 VAL CB C 13 31.097 0.1 . 1 . . . . 25 V CB . 7058 1 289 . 1 1 34 34 VAL CG1 C 13 22.177 0.1 . 1 . . . . 25 V CG1 . 7058 1 290 . 1 1 34 34 VAL CG2 C 13 22.07 0.1 . 1 . . . . 25 V CG2 . 7058 1 291 . 1 1 34 34 VAL N N 15 125.764 0.1 . 1 . . . . 25 V N . 7058 1 292 . 1 1 35 35 SER H H 1 8.546 0.01 . 1 . . . . 26 S NH . 7058 1 293 . 1 1 35 35 SER HA H 1 4.503 0.01 . 1 . . . . 26 S HA . 7058 1 294 . 1 1 35 35 SER HB2 H 1 3.591 0.01 . 1 . . . . 26 S HB1 . 7058 1 295 . 1 1 35 35 SER HB3 H 1 3.975 0.01 . 1 . . . . 26 S HB2 . 7058 1 296 . 1 1 35 35 SER C C 13 172.583 0.1 . 1 . . . . 26 S CO . 7058 1 297 . 1 1 35 35 SER CA C 13 57.261 0.1 . 1 . . . . 26 S CA . 7058 1 298 . 1 1 35 35 SER CB C 13 65.053 0.1 . 1 . . . . 26 S CB . 7058 1 299 . 1 1 35 35 SER N N 15 122.389 0.1 . 1 . . . . 26 S N . 7058 1 300 . 1 1 36 36 ASP H H 1 8.017 0.01 . 1 . . . . 27 D NH . 7058 1 301 . 1 1 36 36 ASP HA H 1 4.615 0.01 . 1 . . . . 27 D HA . 7058 1 302 . 1 1 36 36 ASP HB2 H 1 3.081 0.01 . 1 . . . . 27 D HB1 . 7058 1 303 . 1 1 36 36 ASP HB3 H 1 3.179 0.01 . 1 . . . . 27 D HB2 . 7058 1 304 . 1 1 36 36 ASP C C 13 174.753 0.1 . 1 . . . . 27 D CO . 7058 1 305 . 1 1 36 36 ASP CA C 13 53.198 0.1 . 1 . . . . 27 D CA . 7058 1 306 . 1 1 36 36 ASP CB C 13 41.841 0.1 . 1 . . . . 27 D CB . 7058 1 307 . 1 1 36 36 ASP N N 15 120.554 0.1 . 1 . . . . 27 D N . 7058 1 308 . 1 1 37 37 LEU H H 1 8.319 0.01 . 1 . . . . 28 L NH . 7058 1 309 . 1 1 37 37 LEU HA H 1 4.871 0.01 . 1 . . . . 28 L HA . 7058 1 310 . 1 1 37 37 LEU HB2 H 1 1.735 0.01 . 1 . . . . 28 L HB1 . 7058 1 311 . 1 1 37 37 LEU HB3 H 1 1.735 0.01 . 1 . . . . 28 L HB2 . 7058 1 312 . 1 1 37 37 LEU HG H 1 1.669 0.01 . 1 . . . . 28 L HG . 7058 1 313 . 1 1 37 37 LEU HD11 H 1 0.799 0.01 . 1 . . . . 28 L HD1# . 7058 1 314 . 1 1 37 37 LEU HD12 H 1 0.799 0.01 . 1 . . . . 28 L HD1# . 7058 1 315 . 1 1 37 37 LEU HD13 H 1 0.799 0.01 . 1 . . . . 28 L HD1# . 7058 1 316 . 1 1 37 37 LEU HD21 H 1 0.997 0.01 . 1 . . . . 28 L HD2# . 7058 1 317 . 1 1 37 37 LEU HD22 H 1 0.997 0.01 . 1 . . . . 28 L HD2# . 7058 1 318 . 1 1 37 37 LEU HD23 H 1 0.997 0.01 . 1 . . . . 28 L HD2# . 7058 1 319 . 1 1 37 37 LEU C C 13 175.116 0.1 . 1 . . . . 28 L CO . 7058 1 320 . 1 1 37 37 LEU CA C 13 53.458 0.1 . 1 . . . . 28 L CA . 7058 1 321 . 1 1 37 37 LEU CB C 13 40.947 0.1 . 1 . . . . 28 L CB . 7058 1 322 . 1 1 37 37 LEU CG C 13 26.739 0.1 . 1 . . . . 28 L CG . 7058 1 323 . 1 1 37 37 LEU CD1 C 13 23.12 0.1 . 1 . . . . 28 L CD1 . 7058 1 324 . 1 1 37 37 LEU CD2 C 13 26.367 0.1 . 1 . . . . 28 L CD2 . 7058 1 325 . 1 1 37 37 LEU N N 15 116.425 0.1 . 1 . . . . 28 L N . 7058 1 326 . 1 1 38 38 SER H H 1 8.7 0.01 . 1 . . . . 29 S NH . 7058 1 327 . 1 1 38 38 SER HA H 1 4.616 0.01 . 1 . . . . 29 S HA . 7058 1 328 . 1 1 38 38 SER HB2 H 1 3.851 0.01 . 1 . . . . 29 S HB1 . 7058 1 329 . 1 1 38 38 SER HB3 H 1 3.962 0.01 . 1 . . . . 29 S HB2 . 7058 1 330 . 1 1 38 38 SER C C 13 176.236 0.1 . 1 . . . . 29 S CO . 7058 1 331 . 1 1 38 38 SER CA C 13 57.996 0.1 . 1 . . . . 29 S CA . 7058 1 332 . 1 1 38 38 SER CB C 13 62.961 0.1 . 1 . . . . 29 S CB . 7058 1 333 . 1 1 38 38 SER N N 15 111.009 0.1 . 1 . . . . 29 S N . 7058 1 334 . 1 1 39 39 SER H H 1 9.046 0.01 . 1 . . . . 30 S NH . 7058 1 335 . 1 1 39 39 SER HA H 1 4.472 0.01 . 1 . . . . 30 S HA . 7058 1 336 . 1 1 39 39 SER HB2 H 1 4.135 0.01 . 1 . . . . 30 S HB1 . 7058 1 337 . 1 1 39 39 SER HB3 H 1 4.135 0.01 . 1 . . . . 30 S HB2 . 7058 1 338 . 1 1 39 39 SER C C 13 177.24 0.1 . 1 . . . . 30 S CO . 7058 1 339 . 1 1 39 39 SER CA C 13 62.172 0.1 . 1 . . . . 30 S CA . 7058 1 340 . 1 1 39 39 SER CB C 13 63.723 0.1 . 1 . . . . 30 S CB . 7058 1 341 . 1 1 39 39 SER N N 15 126.59 0.1 . 1 . . . . 30 S N . 7058 1 342 . 1 1 40 40 SER H H 1 10.791 0.1 . 1 . . . . 31 S NH . 7058 1 343 . 1 1 40 40 SER HA H 1 4.441 0.01 . 1 . . . . 31 S HA . 7058 1 344 . 1 1 40 40 SER HB2 H 1 3.845 0.01 . 1 . . . . 31 S HB1 . 7058 1 345 . 1 1 40 40 SER HB3 H 1 3.888 0.01 . 1 . . . . 31 S HB2 . 7058 1 346 . 1 1 40 40 SER C C 13 173.623 0.1 . 1 . . . . 31 S CO . 7058 1 347 . 1 1 40 40 SER CA C 13 60.89 0.1 . 1 . . . . 31 S CA . 7058 1 348 . 1 1 40 40 SER CB C 13 63.855 0.1 . 1 . . . . 31 S CB . 7058 1 349 . 1 1 40 40 SER N N 15 121.296 0.1 . 1 . . . . 31 S N . 7058 1 350 . 1 1 41 41 TRP H H 1 7.981 0.01 . 1 . . . . 32 W NH . 7058 1 351 . 1 1 41 41 TRP HA H 1 4.489 0.01 . 1 . . . . 32 W HA . 7058 1 352 . 1 1 41 41 TRP HB2 H 1 2.981 0.01 . 1 . . . . 32 W HB1 . 7058 1 353 . 1 1 41 41 TRP HB3 H 1 3.513 0.01 . 1 . . . . 32 W HB2 . 7058 1 354 . 1 1 41 41 TRP HD1 H 1 6.982 0.01 . 1 . . . . 32 W HD1 . 7058 1 355 . 1 1 41 41 TRP HE1 H 1 10.339 0.01 . 1 . . . . 32 W HE1 . 7058 1 356 . 1 1 41 41 TRP HE3 H 1 7.594 0.01 . 1 . . . . 32 W HE2 . 7058 1 357 . 1 1 41 41 TRP HZ2 H 1 7.064 0.01 . 1 . . . . 32 W HZ2 . 7058 1 358 . 1 1 41 41 TRP HZ3 H 1 6.537 0.01 . 1 . . . . 32 W HZ3 . 7058 1 359 . 1 1 41 41 TRP HH2 H 1 6.636 0.01 . 1 . . . . 32 W HH2 . 7058 1 360 . 1 1 41 41 TRP C C 13 176.133 0.1 . 1 . . . . 32 W CO . 7058 1 361 . 1 1 41 41 TRP CA C 13 56.848 0.1 . 1 . . . . 32 W CA . 7058 1 362 . 1 1 41 41 TRP CB C 13 29.274 0.1 . 1 . . . . 32 W CB . 7058 1 363 . 1 1 41 41 TRP N N 15 120.182 0.1 . 1 . . . . 32 W N . 7058 1 364 . 1 1 41 41 TRP NE1 N 15 127.757 0.1 . 1 . . . . 32 W NE . 7058 1 365 . 1 1 42 42 ALA H H 1 7.249 0.01 . 1 . . . . 33 A NH . 7058 1 366 . 1 1 42 42 ALA HA H 1 4.393 0.01 . 1 . . . . 33 A HA . 7058 1 367 . 1 1 42 42 ALA HB1 H 1 1.671 0.01 . 1 . . . . 33 A HB# . 7058 1 368 . 1 1 42 42 ALA HB2 H 1 1.671 0.01 . 1 . . . . 33 A HB# . 7058 1 369 . 1 1 42 42 ALA HB3 H 1 1.671 0.01 . 1 . . . . 33 A HB# . 7058 1 370 . 1 1 42 42 ALA C C 13 177.072 0.1 . 1 . . . . 33 A CO . 7058 1 371 . 1 1 42 42 ALA CA C 13 54.366 0.1 . 1 . . . . 33 A CA . 7058 1 372 . 1 1 42 42 ALA CB C 13 19.955 0.1 . 1 . . . . 33 A CB . 7058 1 373 . 1 1 42 42 ALA N N 15 120.946 0.1 . 1 . . . . 33 A N . 7058 1 374 . 1 1 43 43 ASP H H 1 7.631 0.01 . 1 . . . . 34 D NH . 7058 1 375 . 1 1 43 43 ASP HA H 1 4.863 0.01 . 1 . . . . 34 D HA . 7058 1 376 . 1 1 43 43 ASP HB2 H 1 2.582 0.01 . 1 . . . . 34 D HB1 . 7058 1 377 . 1 1 43 43 ASP HB3 H 1 3.253 0.01 . 1 . . . . 34 D HB2 . 7058 1 378 . 1 1 43 43 ASP C C 13 176.629 0.1 . 1 . . . . 34 D CO . 7058 1 379 . 1 1 43 43 ASP CA C 13 52.299 0.1 . 1 . . . . 34 D CA . 7058 1 380 . 1 1 43 43 ASP CB C 13 40.253 0.1 . 1 . . . . 34 D CB . 7058 1 381 . 1 1 43 43 ASP N N 15 112.675 0.1 . 1 . . . . 34 D N . 7058 1 382 . 1 1 44 44 GLY H H 1 7.43 0.01 . 1 . . . . 35 G NH . 7058 1 383 . 1 1 44 44 GLY HA2 H 1 4.287 0.01 . 1 . . . . 35 G HA1 . 7058 1 384 . 1 1 44 44 GLY HA3 H 1 3.882 0.01 . 1 . . . . 35 G HA2 . 7058 1 385 . 1 1 44 44 GLY C C 13 175.031 0.1 . 1 . . . . 35 G CO . 7058 1 386 . 1 1 44 44 GLY CA C 13 48.02 0.1 . 1 . . . . 35 G CA . 7058 1 387 . 1 1 44 44 GLY N N 15 106.419 0.1 . 1 . . . . 35 G N . 7058 1 388 . 1 1 45 45 LEU H H 1 7.685 0.01 . 1 . . . . 36 L NH . 7058 1 389 . 1 1 45 45 LEU HA H 1 3.949 0.01 . 1 . . . . 36 L HA . 7058 1 390 . 1 1 45 45 LEU HB2 H 1 1.24 0.01 . 1 . . . . 36 L HB1 . 7058 1 391 . 1 1 45 45 LEU HB3 H 1 1.81 0.01 . 1 . . . . 36 L HB2 . 7058 1 392 . 1 1 45 45 LEU HG H 1 1.537 0.01 . 1 . . . . 36 L HG . 7058 1 393 . 1 1 45 45 LEU HD11 H 1 0.837 0.01 . 1 . . . . 36 L HD1# . 7058 1 394 . 1 1 45 45 LEU HD12 H 1 0.837 0.01 . 1 . . . . 36 L HD1# . 7058 1 395 . 1 1 45 45 LEU HD13 H 1 0.837 0.01 . 1 . . . . 36 L HD1# . 7058 1 396 . 1 1 45 45 LEU HD21 H 1 0.924 0.01 . 1 . . . . 36 L HD2# . 7058 1 397 . 1 1 45 45 LEU HD22 H 1 0.924 0.01 . 1 . . . . 36 L HD2# . 7058 1 398 . 1 1 45 45 LEU HD23 H 1 0.924 0.01 . 1 . . . . 36 L HD2# . 7058 1 399 . 1 1 45 45 LEU C C 13 178.997 0.1 . 1 . . . . 36 L CO . 7058 1 400 . 1 1 45 45 LEU CA C 13 58.093 0.1 . 1 . . . . 36 L CA . 7058 1 401 . 1 1 45 45 LEU CB C 13 41.179 0.1 . 1 . . . . 36 L CB . 7058 1 402 . 1 1 45 45 LEU CG C 13 26.892 0.1 . 1 . . . . 36 L CG . 7058 1 403 . 1 1 45 45 LEU CD1 C 13 22.252 0.1 . 1 . . . . 36 L CD1 . 7058 1 404 . 1 1 45 45 LEU CD2 C 13 24.995 0.1 . 1 . . . . 36 L CD2 . 7058 1 405 . 1 1 45 45 LEU N N 15 119.79 0.1 . 1 . . . . 36 L N . 7058 1 406 . 1 1 46 46 ALA H H 1 8.835 0.01 . 1 . . . . 37 A NH . 7058 1 407 . 1 1 46 46 ALA HA H 1 3.617 0.01 . 1 . . . . 37 A HA . 7058 1 408 . 1 1 46 46 ALA HB1 H 1 0.389 0.01 . 1 . . . . 37 A HB# . 7058 1 409 . 1 1 46 46 ALA HB2 H 1 0.389 0.01 . 1 . . . . 37 A HB# . 7058 1 410 . 1 1 46 46 ALA HB3 H 1 0.389 0.01 . 1 . . . . 37 A HB# . 7058 1 411 . 1 1 46 46 ALA C C 13 178.822 0.1 . 1 . . . . 37 A CO . 7058 1 412 . 1 1 46 46 ALA CA C 13 55.385 0.1 . 1 . . . . 37 A CA . 7058 1 413 . 1 1 46 46 ALA CB C 13 17.804 0.1 . 1 . . . . 37 A CB . 7058 1 414 . 1 1 46 46 ALA N N 15 121.745 0.1 . 1 . . . . 37 A N . 7058 1 415 . 1 1 47 47 LEU H H 1 8.593 0.01 . 1 . . . . 38 L NH . 7058 1 416 . 1 1 47 47 LEU HA H 1 4.196 0.01 . 1 . . . . 38 L HA . 7058 1 417 . 1 1 47 47 LEU HB2 H 1 1.598 0.01 . 1 . . . . 38 L HB1 . 7058 1 418 . 1 1 47 47 LEU HB3 H 1 2.093 0.01 . 1 . . . . 38 L HB2 . 7058 1 419 . 1 1 47 47 LEU HG H 1 2.238 0.01 . 1 . . . . 38 L HG . 7058 1 420 . 1 1 47 47 LEU HD11 H 1 1.219 0.01 . 1 . . . . 38 L HD1# . 7058 1 421 . 1 1 47 47 LEU HD12 H 1 1.219 0.01 . 1 . . . . 38 L HD1# . 7058 1 422 . 1 1 47 47 LEU HD13 H 1 1.219 0.01 . 1 . . . . 38 L HD1# . 7058 1 423 . 1 1 47 47 LEU HD21 H 1 1.072 0.01 . 1 . . . . 38 L HD2# . 7058 1 424 . 1 1 47 47 LEU HD22 H 1 1.072 0.01 . 1 . . . . 38 L HD2# . 7058 1 425 . 1 1 47 47 LEU HD23 H 1 1.072 0.01 . 1 . . . . 38 L HD2# . 7058 1 426 . 1 1 47 47 LEU C C 13 179.024 0.1 . 1 . . . . 38 L CO . 7058 1 427 . 1 1 47 47 LEU CA C 13 58.188 0.1 . 1 . . . . 38 L CA . 7058 1 428 . 1 1 47 47 LEU CB C 13 42.462 0.1 . 1 . . . . 38 L CB . 7058 1 429 . 1 1 47 47 LEU CG C 13 27.925 0.1 . 1 . . . . 38 L CG . 7058 1 430 . 1 1 47 47 LEU CD1 C 13 26.254 0.1 . 1 . . . . 38 L CD1 . 7058 1 431 . 1 1 47 47 LEU CD2 C 13 24.439 0.1 . 1 . . . . 38 L CD2 . 7058 1 432 . 1 1 47 47 LEU N N 15 118.733 0.1 . 1 . . . . 38 L N . 7058 1 433 . 1 1 48 48 CYS H H 1 7.634 0.01 . 1 . . . . 39 C NH . 7058 1 434 . 1 1 48 48 CYS HA H 1 4.137 0.01 . 1 . . . . 39 C HA . 7058 1 435 . 1 1 48 48 CYS HB2 H 1 3.265 0.01 . 1 . . . . 39 C HB1 . 7058 1 436 . 1 1 48 48 CYS HB3 H 1 2.554 0.01 . 1 . . . . 39 C HB2 . 7058 1 437 . 1 1 48 48 CYS C C 13 175.834 0.1 . 1 . . . . 39 C CO . 7058 1 438 . 1 1 48 48 CYS CA C 13 64.991 0.1 . 1 . . . . 39 C CA . 7058 1 439 . 1 1 48 48 CYS CB C 13 26.561 0.1 . 1 . . . . 39 C CB . 7058 1 440 . 1 1 48 48 CYS N N 15 116.22 0.1 . 1 . . . . 39 C N . 7058 1 441 . 1 1 49 49 ALA H H 1 8.297 0.01 . 1 . . . . 40 A NH . 7058 1 442 . 1 1 49 49 ALA HA H 1 3.233 0.01 . 1 . . . . 40 A HA . 7058 1 443 . 1 1 49 49 ALA HB1 H 1 0.848 0.01 . 1 . . . . 40 A HB# . 7058 1 444 . 1 1 49 49 ALA HB2 H 1 0.848 0.01 . 1 . . . . 40 A HB# . 7058 1 445 . 1 1 49 49 ALA HB3 H 1 0.848 0.01 . 1 . . . . 40 A HB# . 7058 1 446 . 1 1 49 49 ALA C C 13 178.968 0.1 . 1 . . . . 40 A CO . 7058 1 447 . 1 1 49 49 ALA CA C 13 54.841 0.1 . 1 . . . . 40 A CA . 7058 1 448 . 1 1 49 49 ALA CB C 13 18.645 0.1 . 1 . . . . 40 A CB . 7058 1 449 . 1 1 49 49 ALA N N 15 121.692 0.1 . 1 . . . . 40 A N . 7058 1 450 . 1 1 50 50 LEU H H 1 7.975 0.01 . 1 . . . . 41 L NH . 7058 1 451 . 1 1 50 50 LEU HA H 1 3.634 0.01 . 1 . . . . 41 L HA . 7058 1 452 . 1 1 50 50 LEU HB2 H 1 1.443 0.01 . 1 . . . . 41 L HB1 . 7058 1 453 . 1 1 50 50 LEU HB3 H 1 1.709 0.01 . 1 . . . . 41 L HB2 . 7058 1 454 . 1 1 50 50 LEU HG H 1 1.28 0.01 . 1 . . . . 41 L HG . 7058 1 455 . 1 1 50 50 LEU HD11 H 1 0.541 0.01 . 1 . . . . 41 L HD1# . 7058 1 456 . 1 1 50 50 LEU HD12 H 1 0.541 0.01 . 1 . . . . 41 L HD1# . 7058 1 457 . 1 1 50 50 LEU HD13 H 1 0.541 0.01 . 1 . . . . 41 L HD1# . 7058 1 458 . 1 1 50 50 LEU HD21 H 1 0.256 0.01 . 1 . . . . 41 L HD2# . 7058 1 459 . 1 1 50 50 LEU HD22 H 1 0.256 0.01 . 1 . . . . 41 L HD2# . 7058 1 460 . 1 1 50 50 LEU HD23 H 1 0.256 0.01 . 1 . . . . 41 L HD2# . 7058 1 461 . 1 1 50 50 LEU C C 13 177.694 0.1 . 1 . . . . 41 L CO . 7058 1 462 . 1 1 50 50 LEU CA C 13 57.917 0.1 . 1 . . . . 41 L CA . 7058 1 463 . 1 1 50 50 LEU CB C 13 42.492 0.1 . 1 . . . . 41 L CB . 7058 1 464 . 1 1 50 50 LEU CG C 13 26.395 0.1 . 1 . . . . 41 L CG . 7058 1 465 . 1 1 50 50 LEU CD1 C 13 24.248 0.1 . 1 . . . . 41 L CD1 . 7058 1 466 . 1 1 50 50 LEU CD2 C 13 24.923 0.1 . 1 . . . . 41 L CD2 . 7058 1 467 . 1 1 50 50 LEU N N 15 118.95 0.1 . 1 . . . . 41 L N . 7058 1 468 . 1 1 51 51 VAL H H 1 7.726 0.01 . 1 . . . . 42 V NH . 7058 1 469 . 1 1 51 51 VAL HA H 1 3.495 0.01 . 1 . . . . 42 V HA . 7058 1 470 . 1 1 51 51 VAL HB H 1 2.192 0.01 . 1 . . . . 42 V HB . 7058 1 471 . 1 1 51 51 VAL HG11 H 1 0.87 0.01 . 1 . . . . 42 V HG1# . 7058 1 472 . 1 1 51 51 VAL HG12 H 1 0.87 0.01 . 1 . . . . 42 V HG1# . 7058 1 473 . 1 1 51 51 VAL HG13 H 1 0.87 0.01 . 1 . . . . 42 V HG1# . 7058 1 474 . 1 1 51 51 VAL HG21 H 1 1.171 0.01 . 1 . . . . 42 V HG2# . 7058 1 475 . 1 1 51 51 VAL HG22 H 1 1.171 0.01 . 1 . . . . 42 V HG2# . 7058 1 476 . 1 1 51 51 VAL HG23 H 1 1.171 0.01 . 1 . . . . 42 V HG2# . 7058 1 477 . 1 1 51 51 VAL C C 13 177.096 0.1 . 1 . . . . 42 V CO . 7058 1 478 . 1 1 51 51 VAL CA C 13 66.7 0.1 . 1 . . . . 42 V CA . 7058 1 479 . 1 1 51 51 VAL CB C 13 31.366 0.1 . 1 . . . . 42 V CB . 7058 1 480 . 1 1 51 51 VAL CG1 C 13 22.143 0.1 . 1 . . . . 42 V CG1 . 7058 1 481 . 1 1 51 51 VAL CG2 C 13 22.593 0.1 . 1 . . . . 42 V CG2 . 7058 1 482 . 1 1 51 51 VAL N N 15 114.781 0.1 . 1 . . . . 42 V N . 7058 1 483 . 1 1 52 52 TYR H H 1 8.358 0.01 . 1 . . . . 43 Y NH . 7058 1 484 . 1 1 52 52 TYR HA H 1 4.247 0.01 . 1 . . . . 43 Y HA . 7058 1 485 . 1 1 52 52 TYR HB2 H 1 3.171 0.01 . 1 . . . . 43 Y HB1 . 7058 1 486 . 1 1 52 52 TYR HB3 H 1 3.171 0.01 . 1 . . . . 43 Y HB2 . 7058 1 487 . 1 1 52 52 TYR HD1 H 1 7.331 0.01 . 1 . . . . 43 Y HD1 . 7058 1 488 . 1 1 52 52 TYR HD2 H 1 7.331 0.01 . 1 . . . . 43 Y HD2 . 7058 1 489 . 1 1 52 52 TYR HE1 H 1 6.926 0.01 . 1 . . . . 43 Y HE1 . 7058 1 490 . 1 1 52 52 TYR HE2 H 1 6.926 0.01 . 1 . . . . 43 Y HE2 . 7058 1 491 . 1 1 52 52 TYR C C 13 177.872 0.1 . 1 . . . . 43 Y CO . 7058 1 492 . 1 1 52 52 TYR CA C 13 61.155 0.1 . 1 . . . . 43 Y CA . 7058 1 493 . 1 1 52 52 TYR CB C 13 38.324 0.1 . 1 . . . . 43 Y CB . 7058 1 494 . 1 1 52 52 TYR N N 15 117.906 0.1 . 1 . . . . 43 Y N . 7058 1 495 . 1 1 53 53 ARG H H 1 8.088 0.01 . 1 . . . . 44 R NH . 7058 1 496 . 1 1 53 53 ARG HA H 1 4.046 0.01 . 1 . . . . 44 R HA . 7058 1 497 . 1 1 53 53 ARG HB2 H 1 1.93 0.01 . 1 . . . . 44 R HB1 . 7058 1 498 . 1 1 53 53 ARG HB3 H 1 2.149 0.01 . 1 . . . . 44 R HB2 . 7058 1 499 . 1 1 53 53 ARG HG2 H 1 1.658 0.01 . 1 . . . . 44 R HG1 . 7058 1 500 . 1 1 53 53 ARG HG3 H 1 1.966 0.01 . 1 . . . . 44 R HG2 . 7058 1 501 . 1 1 53 53 ARG HD2 H 1 3.346 0.01 . 1 . . . . 44 R HD1 . 7058 1 502 . 1 1 53 53 ARG HD3 H 1 3.346 0.01 . 1 . . . . 44 R HD2 . 7058 1 503 . 1 1 53 53 ARG C C 13 178.413 0.1 . 1 . . . . 44 R CO . 7058 1 504 . 1 1 53 53 ARG CA C 13 57.025 0.1 . 1 . . . . 44 R CA . 7058 1 505 . 1 1 53 53 ARG CB C 13 29.296 0.1 . 1 . . . . 44 R CB . 7058 1 506 . 1 1 53 53 ARG CG C 13 27.211 0.1 . 1 . . . . 44 R CG . 7058 1 507 . 1 1 53 53 ARG CD C 13 42.533 0.1 . 1 . . . . 44 R CD . 7058 1 508 . 1 1 53 53 ARG N N 15 117.973 0.1 . 1 . . . . 44 R N . 7058 1 509 . 1 1 54 54 LEU H H 1 7.523 0.01 . 1 . . . . 45 L NH . 7058 1 510 . 1 1 54 54 LEU HA H 1 4.166 0.01 . 1 . . . . 45 L HA . 7058 1 511 . 1 1 54 54 LEU HB2 H 1 1.105 0.01 . 1 . . . . 45 L HB1 . 7058 1 512 . 1 1 54 54 LEU HB3 H 1 1.635 0.01 . 1 . . . . 45 L HB2 . 7058 1 513 . 1 1 54 54 LEU HG H 1 1.834 0.01 . 1 . . . . 45 L HG . 7058 1 514 . 1 1 54 54 LEU HD11 H 1 0.715 0.01 . 1 . . . . 45 L HD1# . 7058 1 515 . 1 1 54 54 LEU HD12 H 1 0.715 0.01 . 1 . . . . 45 L HD1# . 7058 1 516 . 1 1 54 54 LEU HD13 H 1 0.715 0.01 . 1 . . . . 45 L HD1# . 7058 1 517 . 1 1 54 54 LEU HD21 H 1 0.757 0.01 . 1 . . . . 45 L HD2# . 7058 1 518 . 1 1 54 54 LEU HD22 H 1 0.757 0.01 . 1 . . . . 45 L HD2# . 7058 1 519 . 1 1 54 54 LEU HD23 H 1 0.757 0.01 . 1 . . . . 45 L HD2# . 7058 1 520 . 1 1 54 54 LEU C C 13 176.922 0.1 . 1 . . . . 45 L CO . 7058 1 521 . 1 1 54 54 LEU CA C 13 55.895 0.1 . 1 . . . . 45 L CA . 7058 1 522 . 1 1 54 54 LEU CB C 13 42.016 0.1 . 1 . . . . 45 L CB . 7058 1 523 . 1 1 54 54 LEU CG C 13 26.776 0.1 . 1 . . . . 45 L CG . 7058 1 524 . 1 1 54 54 LEU CD1 C 13 26.342 0.1 . 1 . . . . 45 L CD1 . 7058 1 525 . 1 1 54 54 LEU CD2 C 13 22.355 0.1 . 1 . . . . 45 L CD2 . 7058 1 526 . 1 1 54 54 LEU N N 15 117.499 0.1 . 1 . . . . 45 L N . 7058 1 527 . 1 1 55 55 GLN H H 1 7.936 0.01 . 1 . . . . 46 Q NH . 7058 1 528 . 1 1 55 55 GLN HA H 1 4.807 0.01 . 1 . . . . 46 Q HA . 7058 1 529 . 1 1 55 55 GLN HB2 H 1 2.213 0.01 . 1 . . . . 46 Q HB1 . 7058 1 530 . 1 1 55 55 GLN HB3 H 1 2.17 0.01 . 1 . . . . 46 Q HB2 . 7058 1 531 . 1 1 55 55 GLN HE21 H 1 7.466 0.01 . 1 . . . . 46 Q HE21 . 7058 1 532 . 1 1 55 55 GLN HE22 H 1 6.649 0.01 . 1 . . . . 46 Q HE22 . 7058 1 533 . 1 1 55 55 GLN CA C 13 52.798 0.1 . 1 . . . . 46 Q CA . 7058 1 534 . 1 1 55 55 GLN CB C 13 29.691 0.1 . 1 . . . . 46 Q CB . 7058 1 535 . 1 1 55 55 GLN CG C 13 34.171 0.1 . 1 . . . . 46 Q CG . 7058 1 536 . 1 1 55 55 GLN N N 15 119.757 0.1 . 1 . . . . 46 Q N . 7058 1 537 . 1 1 55 55 GLN NE2 N 15 111.125 0.1 . 1 . . . . 46 Q NE2 . 7058 1 538 . 1 1 56 56 PRO HA H 1 4.428 0.01 . 1 . . . . 47 P HA . 7058 1 539 . 1 1 56 56 PRO HB2 H 1 1.899 0.01 . 1 . . . . 47 P HB1 . 7058 1 540 . 1 1 56 56 PRO HB3 H 1 2.187 0.01 . 1 . . . . 47 P HB2 . 7058 1 541 . 1 1 56 56 PRO HG2 H 1 1.996 0.01 . 1 . . . . 47 P HG1 . 7058 1 542 . 1 1 56 56 PRO HG3 H 1 1.996 0.01 . 1 . . . . 47 P HG2 . 7058 1 543 . 1 1 56 56 PRO HD2 H 1 3.498 0.01 . 1 . . . . 47 P HD1 . 7058 1 544 . 1 1 56 56 PRO HD3 H 1 3.654 0.01 . 1 . . . . 47 P HD2 . 7058 1 545 . 1 1 56 56 PRO C C 13 178.188 0.1 . 1 . . . . 47 P CO . 7058 1 546 . 1 1 56 56 PRO CA C 13 63.87 0.01 . 1 . . . . 47 P CA . 7058 1 547 . 1 1 56 56 PRO CB C 13 31.779 0.1 . 1 . . . . 47 P CB . 7058 1 548 . 1 1 56 56 PRO CG C 13 27.085 0.1 . 1 . . . . 47 P CG . 7058 1 549 . 1 1 56 56 PRO CD C 13 50.262 0.1 . 1 . . . . 47 P CD . 7058 1 550 . 1 1 57 57 GLY H H 1 8.457 0.01 . 1 . . . . 48 G NH . 7058 1 551 . 1 1 57 57 GLY HA2 H 1 4.042 0.01 . 1 . . . . 48 G HA1 . 7058 1 552 . 1 1 57 57 GLY HA3 H 1 4.042 0.01 . 1 . . . . 48 G HA2 . 7058 1 553 . 1 1 57 57 GLY C C 13 174.801 0.1 . 1 . . . . 48 G CO . 7058 1 554 . 1 1 57 57 GLY CA C 13 45.377 0.1 . 1 . . . . 48 G CA . 7058 1 555 . 1 1 57 57 GLY N N 15 108.813 0.1 . 1 . . . . 48 G N . 7058 1 556 . 1 1 58 58 LEU H H 1 8.076 0.01 . 1 . . . . 49 L NH . 7058 1 557 . 1 1 58 58 LEU HA H 1 4.514 0.01 . 1 . . . . 49 L HA . 7058 1 558 . 1 1 58 58 LEU HB2 H 1 1.769 0.01 . 1 . . . . 49 L HB1 . 7058 1 559 . 1 1 58 58 LEU HB3 H 1 1.957 0.01 . 1 . . . . 49 L HB2 . 7058 1 560 . 1 1 58 58 LEU HG H 1 1.778 0.01 . 1 . . . . 49 L HG . 7058 1 561 . 1 1 58 58 LEU HD11 H 1 0.904 0.01 . 1 . . . . 49 L HD1# . 7058 1 562 . 1 1 58 58 LEU HD12 H 1 0.904 0.01 . 1 . . . . 49 L HD1# . 7058 1 563 . 1 1 58 58 LEU HD13 H 1 0.904 0.01 . 1 . . . . 49 L HD1# . 7058 1 564 . 1 1 58 58 LEU HD21 H 1 0.918 0.01 . 1 . . . . 49 L HD2# . 7058 1 565 . 1 1 58 58 LEU HD22 H 1 0.918 0.01 . 1 . . . . 49 L HD2# . 7058 1 566 . 1 1 58 58 LEU HD23 H 1 0.918 0.01 . 1 . . . . 49 L HD2# . 7058 1 567 . 1 1 58 58 LEU C C 13 176.463 0.1 . 1 . . . . 49 L CO . 7058 1 568 . 1 1 58 58 LEU CA C 13 55.099 0.1 . 1 . . . . 49 L CA . 7058 1 569 . 1 1 58 58 LEU CB C 13 42.958 0.1 . 1 . . . . 49 L CB . 7058 1 570 . 1 1 58 58 LEU CG C 13 26.731 0.1 . 1 . . . . 49 L CG . 7058 1 571 . 1 1 58 58 LEU CD1 C 13 23.543 0.1 . 1 . . . . 49 L CD1 . 7058 1 572 . 1 1 58 58 LEU CD2 C 13 25.684 0.1 . 1 . . . . 49 L CD2 . 7058 1 573 . 1 1 58 58 LEU N N 15 121.443 0.1 . 1 . . . . 49 L N . 7058 1 574 . 1 1 59 59 LEU H H 1 8.037 0.01 . 1 . . . . 50 L NH . 7058 1 575 . 1 1 59 59 LEU HA H 1 4.409 0.01 . 1 . . . . 50 L HA . 7058 1 576 . 1 1 59 59 LEU HB2 H 1 1.575 0.01 . 1 . . . . 50 L HB1 . 7058 1 577 . 1 1 59 59 LEU HB3 H 1 1.626 0.01 . 1 . . . . 50 L HB2 . 7058 1 578 . 1 1 59 59 LEU HG H 1 1.612 0.01 . 1 . . . . 50 L HG . 7058 1 579 . 1 1 59 59 LEU HD11 H 1 0.767 0.01 . 1 . . . . 50 L HD1# . 7058 1 580 . 1 1 59 59 LEU HD12 H 1 0.767 0.01 . 1 . . . . 50 L HD1# . 7058 1 581 . 1 1 59 59 LEU HD13 H 1 0.767 0.01 . 1 . . . . 50 L HD1# . 7058 1 582 . 1 1 59 59 LEU HD21 H 1 0.809 0.01 . 1 . . . . 50 L HD2# . 7058 1 583 . 1 1 59 59 LEU HD22 H 1 0.809 0.01 . 1 . . . . 50 L HD2# . 7058 1 584 . 1 1 59 59 LEU HD23 H 1 0.809 0.01 . 1 . . . . 50 L HD2# . 7058 1 585 . 1 1 59 59 LEU C C 13 175.914 0.1 . 1 . . . . 50 L CO . 7058 1 586 . 1 1 59 59 LEU CA C 13 54.551 0.1 . 1 . . . . 50 L CA . 7058 1 587 . 1 1 59 59 LEU CB C 13 42.734 0.1 . 1 . . . . 50 L CB . 7058 1 588 . 1 1 59 59 LEU CG C 13 26.987 0.1 . 1 . . . . 50 L CG . 7058 1 589 . 1 1 59 59 LEU CD1 C 13 23.974 0.1 . 1 . . . . 50 L CD1 . 7058 1 590 . 1 1 59 59 LEU CD2 C 13 25.085 0.1 . 1 . . . . 50 L CD2 . 7058 1 591 . 1 1 59 59 LEU N N 15 120.698 0.1 . 1 . . . . 50 L N . 7058 1 592 . 1 1 60 60 GLU H H 1 8.557 0.01 . 1 . . . . 51 E NH . 7058 1 593 . 1 1 60 60 GLU HA H 1 4.374 0.01 . 1 . . . . 51 E HA . 7058 1 594 . 1 1 60 60 GLU HB2 H 1 1.84 0.01 . 1 . . . . 51 E HB1 . 7058 1 595 . 1 1 60 60 GLU HB3 H 1 1.963 0.01 . 1 . . . . 51 E HB2 . 7058 1 596 . 1 1 60 60 GLU HG2 H 1 2.182 0.01 . 1 . . . . 51 E HG1 . 7058 1 597 . 1 1 60 60 GLU HG3 H 1 2.182 0.01 . 1 . . . . 51 E HG2 . 7058 1 598 . 1 1 60 60 GLU CA C 13 54.091 0.1 . 1 . . . . 51 E CA . 7058 1 599 . 1 1 60 60 GLU CB C 13 29.491 0.1 . 1 . . . . 51 E CB . 7058 1 600 . 1 1 60 60 GLU CG C 13 35.791 0.1 . 1 . . . . 51 E CG . 7058 1 601 . 1 1 60 60 GLU N N 15 123.746 0.1 . 1 . . . . 51 E N . 7058 1 602 . 1 1 61 61 PRO HA H 1 4.173 0.01 . 1 . . . . 52 P HA . 7058 1 603 . 1 1 61 61 PRO HB2 H 1 1.989 0.01 . 1 . . . . 52 P HB1 . 7058 1 604 . 1 1 61 61 PRO HB3 H 1 2.09 0.01 . 1 . . . . 52 P HB2 . 7058 1 605 . 1 1 61 61 PRO HG2 H 1 1.444 0.01 . 1 . . . . 52 P HG1 . 7058 1 606 . 1 1 61 61 PRO HG3 H 1 1.633 0.01 . 1 . . . . 52 P HG2 . 7058 1 607 . 1 1 61 61 PRO HD2 H 1 3.679 0.01 . 1 . . . . 52 P HD1 . 7058 1 608 . 1 1 61 61 PRO HD3 H 1 3.679 0.01 . 1 . . . . 52 P HD2 . 7058 1 609 . 1 1 61 61 PRO C C 13 178.657 0.1 . 1 . . . . 52 P CO . 7058 1 610 . 1 1 61 61 PRO CA C 13 64.234 0.1 . 1 . . . . 52 P CA . 7058 1 611 . 1 1 61 61 PRO CB C 13 31.636 0.1 . 1 . . . . 52 P CB . 7058 1 612 . 1 1 61 61 PRO CG C 13 27.469 0.1 . 1 . . . . 52 P CG . 7058 1 613 . 1 1 61 61 PRO CD C 13 50.2 0.1 . 1 . . . . 52 P CD . 7058 1 614 . 1 1 62 62 SER H H 1 8.549 0.01 . 1 . . . . 53 S NH . 7058 1 615 . 1 1 62 62 SER HA H 1 3.881 0.01 . 1 . . . . 53 S HA . 7058 1 616 . 1 1 62 62 SER HB2 H 1 4.104 0.01 . 1 . . . . 53 S HB1 . 7058 1 617 . 1 1 62 62 SER HB3 H 1 4.104 0.01 . 1 . . . . 53 S HB2 . 7058 1 618 . 1 1 62 62 SER C C 13 176.354 0.1 . 1 . . . . 53 S CO . 7058 1 619 . 1 1 62 62 SER CA C 13 60.663 0.1 . 1 . . . . 53 S CA . 7058 1 620 . 1 1 62 62 SER CB C 13 62.32 0.01 . 1 . . . . 53 S CB . 7058 1 621 . 1 1 62 62 SER N N 15 115.64 0.1 . 1 . . . . 53 S N . 7058 1 622 . 1 1 63 63 GLU H H 1 8.383 0.01 . 1 . . . . 54 E NH . 7058 1 623 . 1 1 63 63 GLU HA H 1 4.173 0.01 . 1 . . . . 54 E HA . 7058 1 624 . 1 1 63 63 GLU HB2 H 1 2.064 0.01 . 1 . . . . 54 E HB1 . 7058 1 625 . 1 1 63 63 GLU HB3 H 1 2.064 0.01 . 1 . . . . 54 E HB2 . 7058 1 626 . 1 1 63 63 GLU HG2 H 1 2.211 0.01 . 1 . . . . 54 E HG1 . 7058 1 627 . 1 1 63 63 GLU HG3 H 1 2.279 0.01 . 1 . . . . 54 E HG2 . 7058 1 628 . 1 1 63 63 GLU C C 13 177.454 0.1 . 1 . . . . 54 E CO . 7058 1 629 . 1 1 63 63 GLU CA C 13 57.647 0.1 . 1 . . . . 54 E CA . 7058 1 630 . 1 1 63 63 GLU CB C 13 29.203 0.1 . 1 . . . . 54 E CB . 7058 1 631 . 1 1 63 63 GLU CG C 13 36.757 0.1 . 1 . . . . 54 E CG . 7058 1 632 . 1 1 63 63 GLU N N 15 120.765 0.1 . 1 . . . . 54 E N . 7058 1 633 . 1 1 64 64 LEU H H 1 7.322 0.01 . 1 . . . . 55 L NH . 7058 1 634 . 1 1 64 64 LEU HA H 1 4.044 0.01 . 1 . . . . 55 L HA . 7058 1 635 . 1 1 64 64 LEU HB2 H 1 1.535 0.01 . 1 . . . . 55 L HB1 . 7058 1 636 . 1 1 64 64 LEU HB3 H 1 1.535 0.01 . 1 . . . . 55 L HB2 . 7058 1 637 . 1 1 64 64 LEU HG H 1 1.38 0.01 . 1 . . . . 55 L HG . 7058 1 638 . 1 1 64 64 LEU HD11 H 1 0.353 0.01 . 1 . . . . 55 L HD1# . 7058 1 639 . 1 1 64 64 LEU HD12 H 1 0.353 0.01 . 1 . . . . 55 L HD1# . 7058 1 640 . 1 1 64 64 LEU HD13 H 1 0.353 0.01 . 1 . . . . 55 L HD1# . 7058 1 641 . 1 1 64 64 LEU HD21 H 1 0.622 0.01 . 1 . . . . 55 L HD2# . 7058 1 642 . 1 1 64 64 LEU HD22 H 1 0.622 0.01 . 1 . . . . 55 L HD2# . 7058 1 643 . 1 1 64 64 LEU HD23 H 1 0.622 0.01 . 1 . . . . 55 L HD2# . 7058 1 644 . 1 1 64 64 LEU C C 13 178.121 0.1 . 1 . . . . 55 L CO . 7058 1 645 . 1 1 64 64 LEU CA C 13 55.758 0.1 . 1 . . . . 55 L CA . 7058 1 646 . 1 1 64 64 LEU CB C 13 41.912 0.1 . 1 . . . . 55 L CB . 7058 1 647 . 1 1 64 64 LEU CG C 13 26.778 0.1 . 1 . . . . 55 L CG . 7058 1 648 . 1 1 64 64 LEU CD1 C 13 23.1 0.1 . 1 . . . . 55 L CD1 . 7058 1 649 . 1 1 64 64 LEU CD2 C 13 25.056 0.1 . 1 . . . . 55 L CD2 . 7058 1 650 . 1 1 64 64 LEU N N 15 119.208 0.1 . 1 . . . . 55 L N . 7058 1 651 . 1 1 65 65 GLN H H 1 7.526 0.01 . 1 . . . . 56 Q NH . 7058 1 652 . 1 1 65 65 GLN HA H 1 4.002 0.01 . 1 . . . . 56 Q HA . 7058 1 653 . 1 1 65 65 GLN HB2 H 1 2.05 0.01 . 1 . . . . 56 Q HB1 . 7058 1 654 . 1 1 65 65 GLN HB3 H 1 2.05 0.01 . 1 . . . . 56 Q HB2 . 7058 1 655 . 1 1 65 65 GLN HG2 H 1 2.381 0.01 . 1 . . . . 56 Q HG1 . 7058 1 656 . 1 1 65 65 GLN HG3 H 1 2.381 0.01 . 1 . . . . 56 Q HG2 . 7058 1 657 . 1 1 65 65 GLN HE21 H 1 6.793 0.01 . 1 . . . . 56 Q HE21 . 7058 1 658 . 1 1 65 65 GLN HE22 H 1 7.532 0.01 . 1 . . . . 56 Q HE22 . 7058 1 659 . 1 1 65 65 GLN C C 13 176.902 0.1 . 1 . . . . 56 Q CO . 7058 1 660 . 1 1 65 65 GLN CA C 13 57.656 0.1 . 1 . . . . 56 Q CA . 7058 1 661 . 1 1 65 65 GLN CB C 13 28.322 0.1 . 1 . . . . 56 Q CB . 7058 1 662 . 1 1 65 65 GLN CG C 13 33.689 0.1 . 1 . . . . 56 Q CG . 7058 1 663 . 1 1 65 65 GLN N N 15 116.913 0.1 . 1 . . . . 56 Q N . 7058 1 664 . 1 1 65 65 GLN NE2 N 15 111.668 0.1 . 1 . . . . 56 Q NE2 . 7058 1 665 . 1 1 66 66 GLY H H 1 8.301 0.01 . 1 . . . . 57 G NH . 7058 1 666 . 1 1 66 66 GLY HA2 H 1 3.884 0.01 . 1 . . . . 57 G HA1 . 7058 1 667 . 1 1 66 66 GLY HA3 H 1 4.033 0.01 . 1 . . . . 57 G HA2 . 7058 1 668 . 1 1 66 66 GLY C C 13 174.658 0.1 . 1 . . . . 57 G CO . 7058 1 669 . 1 1 66 66 GLY CA C 13 45.184 0.1 . 1 . . . . 57 G CA . 7058 1 670 . 1 1 66 66 GLY N N 15 108.639 0.1 . 1 . . . . 57 G N . 7058 1 671 . 1 1 67 67 LEU H H 1 7.437 0.01 . 1 . . . . 58 L NH . 7058 1 672 . 1 1 67 67 LEU HA H 1 4.386 0.01 . 1 . . . . 58 L HA . 7058 1 673 . 1 1 67 67 LEU HB2 H 1 1.592 0.01 . 1 . . . . 58 L HB1 . 7058 1 674 . 1 1 67 67 LEU HB3 H 1 1.883 0.01 . 1 . . . . 58 L HB2 . 7058 1 675 . 1 1 67 67 LEU HG H 1 1.732 0.01 . 1 . . . . 58 L HG . 7058 1 676 . 1 1 67 67 LEU HD11 H 1 0.789 0.01 . 1 . . . . 58 L HD1# . 7058 1 677 . 1 1 67 67 LEU HD12 H 1 0.789 0.01 . 1 . . . . 58 L HD1# . 7058 1 678 . 1 1 67 67 LEU HD13 H 1 0.789 0.01 . 1 . . . . 58 L HD1# . 7058 1 679 . 1 1 67 67 LEU HD21 H 1 0.8 0.01 . 1 . . . . 58 L HD2# . 7058 1 680 . 1 1 67 67 LEU HD22 H 1 0.8 0.01 . 1 . . . . 58 L HD2# . 7058 1 681 . 1 1 67 67 LEU HD23 H 1 0.8 0.01 . 1 . . . . 58 L HD2# . 7058 1 682 . 1 1 67 67 LEU C C 13 178.177 0.1 . 1 . . . . 58 L CO . 7058 1 683 . 1 1 67 67 LEU CA C 13 54.995 0.1 . 1 . . . . 58 L CA . 7058 1 684 . 1 1 67 67 LEU CB C 13 42.836 0.1 . 1 . . . . 58 L CB . 7058 1 685 . 1 1 67 67 LEU CG C 13 26.895 0.1 . 1 . . . . 58 L CG . 7058 1 686 . 1 1 67 67 LEU CD1 C 13 25.887 0.1 . 1 . . . . 58 L CD1 . 7058 1 687 . 1 1 67 67 LEU CD2 C 13 22.427 0.1 . 1 . . . . 58 L CD2 . 7058 1 688 . 1 1 67 67 LEU N N 15 120.609 0.1 . 1 . . . . 58 L N . 7058 1 689 . 1 1 68 68 GLY H H 1 8.451 0.01 . 1 . . . . 59 G NH . 7058 1 690 . 1 1 68 68 GLY HA2 H 1 4.188 0.01 . 1 . . . . 59 G HA1 . 7058 1 691 . 1 1 68 68 GLY HA3 H 1 4.188 0.01 . 1 . . . . 59 G HA2 . 7058 1 692 . 1 1 68 68 GLY C C 13 173.282 0.1 . 1 . . . . 59 G CO . 7058 1 693 . 1 1 68 68 GLY CA C 13 44.223 0.1 . 1 . . . . 59 G CA . 7058 1 694 . 1 1 68 68 GLY N N 15 108.898 0.1 . 1 . . . . 59 G N . 7058 1 695 . 1 1 69 69 ALA H H 1 8.355 0.01 . 1 . . . . 60 A NH . 7058 1 696 . 1 1 69 69 ALA HA H 1 4.147 0.01 . 1 . . . . 60 A HA . 7058 1 697 . 1 1 69 69 ALA HB1 H 1 1.615 0.01 . 1 . . . . 60 A HB# . 7058 1 698 . 1 1 69 69 ALA HB2 H 1 1.615 0.01 . 1 . . . . 60 A HB# . 7058 1 699 . 1 1 69 69 ALA HB3 H 1 1.615 0.01 . 1 . . . . 60 A HB# . 7058 1 700 . 1 1 69 69 ALA C C 13 180.871 0.1 . 1 . . . . 60 A CO . 7058 1 701 . 1 1 69 69 ALA CA C 13 55.755 0.1 . 1 . . . . 60 A CA . 7058 1 702 . 1 1 69 69 ALA CB C 13 20.061 0.1 . 1 . . . . 60 A CB . 7058 1 703 . 1 1 69 69 ALA N N 15 121.876 0.1 . 1 . . . . 60 A N . 7058 1 704 . 1 1 70 70 LEU H H 1 8.76 0.01 . 1 . . . . 61 L NH . 7058 1 705 . 1 1 70 70 LEU HA H 1 3.986 0.01 . 1 . . . . 61 L HA . 7058 1 706 . 1 1 70 70 LEU HB2 H 1 1.692 0.01 . 1 . . . . 61 L HB1 . 7058 1 707 . 1 1 70 70 LEU HB3 H 1 1.753 0.01 . 1 . . . . 61 L HB2 . 7058 1 708 . 1 1 70 70 LEU HG H 1 1.676 0.01 . 1 . . . . 61 L HG . 7058 1 709 . 1 1 70 70 LEU HD11 H 1 0.935 0.01 . 1 . . . . 61 L HD1# . 7058 1 710 . 1 1 70 70 LEU HD12 H 1 0.935 0.01 . 1 . . . . 61 L HD1# . 7058 1 711 . 1 1 70 70 LEU HD13 H 1 0.935 0.01 . 1 . . . . 61 L HD1# . 7058 1 712 . 1 1 70 70 LEU HD21 H 1 0.944 0.01 . 1 . . . . 61 L HD2# . 7058 1 713 . 1 1 70 70 LEU HD22 H 1 0.944 0.01 . 1 . . . . 61 L HD2# . 7058 1 714 . 1 1 70 70 LEU HD23 H 1 0.944 0.01 . 1 . . . . 61 L HD2# . 7058 1 715 . 1 1 70 70 LEU C C 13 178.516 0.1 . 1 . . . . 61 L CO . 7058 1 716 . 1 1 70 70 LEU CA C 13 58.548 0.1 . 1 . . . . 61 L CA . 7058 1 717 . 1 1 70 70 LEU CB C 13 41.518 0.1 . 1 . . . . 61 L CB . 7058 1 718 . 1 1 70 70 LEU CG C 13 27.023 0.1 . 1 . . . . 61 L CG . 7058 1 719 . 1 1 70 70 LEU CD1 C 13 23.7 0.1 . 1 . . . . 61 L CD1 . 7058 1 720 . 1 1 70 70 LEU CD2 C 13 24.538 0.1 . 1 . . . . 61 L CD2 . 7058 1 721 . 1 1 70 70 LEU N N 15 120.159 0.1 . 1 . . . . 61 L N . 7058 1 722 . 1 1 71 71 GLU H H 1 8.368 0.01 . 1 . . . . 62 E NH . 7058 1 723 . 1 1 71 71 GLU HA H 1 4.099 0.01 . 1 . . . . 62 E HA . 7058 1 724 . 1 1 71 71 GLU HB2 H 1 2.03 0.01 . 1 . . . . 62 E HB1 . 7058 1 725 . 1 1 71 71 GLU HB3 H 1 2.185 0.01 . 1 . . . . 62 E HB2 . 7058 1 726 . 1 1 71 71 GLU HG2 H 1 2.36 0.01 . 1 . . . . 62 E HG1 . 7058 1 727 . 1 1 71 71 GLU HG3 H 1 2.504 0.01 . 1 . . . . 62 E HG2 . 7058 1 728 . 1 1 71 71 GLU C C 13 179.955 0.1 . 1 . . . . 62 E CO . 7058 1 729 . 1 1 71 71 GLU CA C 13 60.072 0.1 . 1 . . . . 62 E CA . 7058 1 730 . 1 1 71 71 GLU CB C 13 29.565 0.1 . 1 . . . . 62 E CB . 7058 1 731 . 1 1 71 71 GLU CG C 13 37.25 0.1 . 1 . . . . 62 E CG . 7058 1 732 . 1 1 71 71 GLU N N 15 118.643 0.1 . 1 . . . . 62 E N . 7058 1 733 . 1 1 72 72 ALA H H 1 9.094 0.01 . 1 . . . . 63 A NH . 7058 1 734 . 1 1 72 72 ALA HA H 1 4.109 0.01 . 1 . . . . 63 A HA . 7058 1 735 . 1 1 72 72 ALA HB1 H 1 1.511 0.01 . 1 . . . . 63 A HB# . 7058 1 736 . 1 1 72 72 ALA HB2 H 1 1.511 0.01 . 1 . . . . 63 A HB# . 7058 1 737 . 1 1 72 72 ALA HB3 H 1 1.511 0.01 . 1 . . . . 63 A HB# . 7058 1 738 . 1 1 72 72 ALA C C 13 178.606 0.1 . 1 . . . . 63 A CO . 7058 1 739 . 1 1 72 72 ALA CA C 13 55.84 0.1 . 1 . . . . 63 A CA . 7058 1 740 . 1 1 72 72 ALA CB C 13 17.928 0.1 . 1 . . . . 63 A CB . 7058 1 741 . 1 1 72 72 ALA N N 15 124.159 0.1 . 1 . . . . 63 A N . 7058 1 742 . 1 1 73 73 THR H H 1 8.06 0.01 . 1 . . . . 64 T NH . 7058 1 743 . 1 1 73 73 THR HA H 1 3.88 0.01 . 1 . . . . 64 T HA . 7058 1 744 . 1 1 73 73 THR HB H 1 4.307 0.01 . 1 . . . . 64 T HB . 7058 1 745 . 1 1 73 73 THR HG21 H 1 1.335 0.01 . 1 . . . . 64 T HG2# . 7058 1 746 . 1 1 73 73 THR HG22 H 1 1.335 0.01 . 1 . . . . 64 T HG2# . 7058 1 747 . 1 1 73 73 THR HG23 H 1 1.335 0.01 . 1 . . . . 64 T HG2# . 7058 1 748 . 1 1 73 73 THR C C 13 176.076 0.1 . 1 . . . . 64 T CO . 7058 1 749 . 1 1 73 73 THR CA C 13 68.112 0.1 . 1 . . . . 64 T CA . 7058 1 750 . 1 1 73 73 THR CB C 13 68.052 0.1 . 1 . . . . 64 T CB . 7058 1 751 . 1 1 73 73 THR CG2 C 13 21.999 0.1 . 1 . . . . 64 T CG2 . 7058 1 752 . 1 1 73 73 THR N N 15 114.407 0.1 . 1 . . . . 64 T N . 7058 1 753 . 1 1 74 74 ALA H H 1 8.735 0.01 . 1 . . . . 65 A NH . 7058 1 754 . 1 1 74 74 ALA HA H 1 4.03 0.01 . 1 . . . . 65 A HA . 7058 1 755 . 1 1 74 74 ALA HB1 H 1 1.546 0.01 . 1 . . . . 65 A HB# . 7058 1 756 . 1 1 74 74 ALA HB2 H 1 1.546 0.01 . 1 . . . . 65 A HB# . 7058 1 757 . 1 1 74 74 ALA HB3 H 1 1.546 0.01 . 1 . . . . 65 A HB# . 7058 1 758 . 1 1 74 74 ALA C C 13 180.426 0.1 . 1 . . . . 65 A CO . 7058 1 759 . 1 1 74 74 ALA CA C 13 55.499 0.1 . 1 . . . . 65 A CA . 7058 1 760 . 1 1 74 74 ALA CB C 13 18.415 0.1 . 1 . . . . 65 A CB . 7058 1 761 . 1 1 74 74 ALA N N 15 121.618 0.1 . 1 . . . . 65 A N . 7058 1 762 . 1 1 75 75 TRP H H 1 8.234 0.01 . 1 . . . . 66 W NH . 7058 1 763 . 1 1 75 75 TRP HA H 1 4.32 0.01 . 1 . . . . 66 W HA . 7058 1 764 . 1 1 75 75 TRP HB2 H 1 3.379 0.01 . 1 . . . . 66 W HB1 . 7058 1 765 . 1 1 75 75 TRP HB3 H 1 3.654 0.01 . 1 . . . . 66 W HB2 . 7058 1 766 . 1 1 75 75 TRP HD1 H 1 7.245 0.01 . 1 . . . . 66 W HD1 . 7058 1 767 . 1 1 75 75 TRP HE1 H 1 10.303 0.01 . 1 . . . . 66 W HE1 . 7058 1 768 . 1 1 75 75 TRP HE3 H 1 7.740 0.01 . 1 . . . . 66 W HE3 . 7058 1 769 . 1 1 75 75 TRP HZ2 H 1 7.503 0.01 . 1 . . . . 66 W HZ2 . 7058 1 770 . 1 1 75 75 TRP HZ3 H 1 6.940 0.01 . 1 . . . . 66 W HZ3 . 7058 1 771 . 1 1 75 75 TRP C C 13 177.298 0.1 . 1 . . . . 66 W CO . 7058 1 772 . 1 1 75 75 TRP CA C 13 61.158 0.1 . 1 . . . . 66 W CA . 7058 1 773 . 1 1 75 75 TRP CB C 13 28.558 0.1 . 1 . . . . 66 W CB . 7058 1 774 . 1 1 75 75 TRP N N 15 120.458 0.1 . 1 . . . . 66 W N . 7058 1 775 . 1 1 75 75 TRP NE1 N 15 128.569 0.1 . 1 . . . . 66 W NE . 7058 1 776 . 1 1 76 76 ALA H H 1 8.249 0.01 . 1 . . . . 67 A NH . 7058 1 777 . 1 1 76 76 ALA HA H 1 3.792 0.01 . 1 . . . . 67 A HA . 7058 1 778 . 1 1 76 76 ALA HB1 H 1 1.803 0.01 . 1 . . . . 67 A HB# . 7058 1 779 . 1 1 76 76 ALA HB2 H 1 1.803 0.01 . 1 . . . . 67 A HB# . 7058 1 780 . 1 1 76 76 ALA HB3 H 1 1.803 0.01 . 1 . . . . 67 A HB# . 7058 1 781 . 1 1 76 76 ALA C C 13 179.647 0.1 . 1 . . . . 67 A CO . 7058 1 782 . 1 1 76 76 ALA CA C 13 55.816 0.1 . 1 . . . . 67 A CA . 7058 1 783 . 1 1 76 76 ALA CB C 13 18.814 0.1 . 1 . . . . 67 A CB . 7058 1 784 . 1 1 76 76 ALA N N 15 121.474 0.1 . 1 . . . . 67 A N . 7058 1 785 . 1 1 77 77 LEU H H 1 8.516 0.01 . 1 . . . . 68 L NH . 7058 1 786 . 1 1 77 77 LEU HA H 1 4.224 0.01 . 1 . . . . 68 L HA . 7058 1 787 . 1 1 77 77 LEU HB2 H 1 1.89 0.01 . 1 . . . . 68 L HB1 . 7058 1 788 . 1 1 77 77 LEU HB3 H 1 1.557 0.01 . 1 . . . . 68 L HB2 . 7058 1 789 . 1 1 77 77 LEU HG H 1 1.966 0.01 . 1 . . . . 68 L HG . 7058 1 790 . 1 1 77 77 LEU HD11 H 1 0.707 0.01 . 1 . . . . 68 L HD1# . 7058 1 791 . 1 1 77 77 LEU HD12 H 1 0.707 0.01 . 1 . . . . 68 L HD1# . 7058 1 792 . 1 1 77 77 LEU HD13 H 1 0.707 0.01 . 1 . . . . 68 L HD1# . 7058 1 793 . 1 1 77 77 LEU HD21 H 1 0.86 0.01 . 1 . . . . 68 L HD2# . 7058 1 794 . 1 1 77 77 LEU HD22 H 1 0.86 0.01 . 1 . . . . 68 L HD2# . 7058 1 795 . 1 1 77 77 LEU HD23 H 1 0.86 0.01 . 1 . . . . 68 L HD2# . 7058 1 796 . 1 1 77 77 LEU C C 13 181.716 0.1 . 1 . . . . 68 L CO . 7058 1 797 . 1 1 77 77 LEU CA C 13 57.971 0.1 . 1 . . . . 68 L CA . 7058 1 798 . 1 1 77 77 LEU CB C 13 42.192 0.1 . 1 . . . . 68 L CB . 7058 1 799 . 1 1 77 77 LEU CG C 13 28.127 0.1 . 1 . . . . 68 L CG . 7058 1 800 . 1 1 77 77 LEU CD1 C 13 23.932 0.1 . 1 . . . . 68 L CD1 . 7058 1 801 . 1 1 77 77 LEU CD2 C 13 25.06 0.1 . 1 . . . . 68 L CD2 . 7058 1 802 . 1 1 77 77 LEU N N 15 115.918 0.1 . 1 . . . . 68 L N . 7058 1 803 . 1 1 78 78 LYS H H 1 7.941 0.01 . 1 . . . . 69 K NH . 7058 1 804 . 1 1 78 78 LYS HA H 1 4.291 0.01 . 1 . . . . 69 K HA . 7058 1 805 . 1 1 78 78 LYS HB2 H 1 1.962 0.01 . 1 . . . . 69 K HB1 . 7058 1 806 . 1 1 78 78 LYS HB3 H 1 2.03 0.01 . 1 . . . . 69 K HB2 . 7058 1 807 . 1 1 78 78 LYS HG2 H 1 1.354 0.01 . 1 . . . . 69 K HG1 . 7058 1 808 . 1 1 78 78 LYS HG3 H 1 1.529 0.01 . 1 . . . . 69 K HG2 . 7058 1 809 . 1 1 78 78 LYS HD2 H 1 1.718 0.01 . 1 . . . . 69 K HD1 . 7058 1 810 . 1 1 78 78 LYS HD3 H 1 1.718 0.01 . 1 . . . . 69 K HD2 . 7058 1 811 . 1 1 78 78 LYS HE2 H 1 2.951 0.01 . 1 . . . . 69 K HE1 . 7058 1 812 . 1 1 78 78 LYS HE3 H 1 2.951 0.01 . 1 . . . . 69 K HE2 . 7058 1 813 . 1 1 78 78 LYS C C 13 178.494 0.1 . 1 . . . . 69 K CO . 7058 1 814 . 1 1 78 78 LYS CA C 13 59.158 0.1 . 1 . . . . 69 K CA . 7058 1 815 . 1 1 78 78 LYS CB C 13 31.85 0.1 . 1 . . . . 69 K CB . 7058 1 816 . 1 1 78 78 LYS CG C 13 24.407 0.1 . 1 . . . . 69 K CG . 7058 1 817 . 1 1 78 78 LYS CD C 13 28.813 0.1 . 1 . . . . 69 K CD . 7058 1 818 . 1 1 78 78 LYS CE C 13 41.728 0.1 . 1 . . . . 69 K CE . 7058 1 819 . 1 1 78 78 LYS N N 15 122.33 0.1 . 1 . . . . 69 K N . 7058 1 820 . 1 1 79 79 VAL H H 1 8.447 0.01 . 1 . . . . 70 V NH . 7058 1 821 . 1 1 79 79 VAL HA H 1 3.663 0.01 . 1 . . . . 70 V HA . 7058 1 822 . 1 1 79 79 VAL HB H 1 1.605 0.01 . 1 . . . . 70 V HB . 7058 1 823 . 1 1 79 79 VAL HG11 H 1 0.358 0.01 . 1 . . . . 70 V HG1# . 7058 1 824 . 1 1 79 79 VAL HG12 H 1 0.358 0.01 . 1 . . . . 70 V HG1# . 7058 1 825 . 1 1 79 79 VAL HG13 H 1 0.358 0.01 . 1 . . . . 70 V HG1# . 7058 1 826 . 1 1 79 79 VAL HG21 H 1 0.648 0.01 . 1 . . . . 70 V HG2# . 7058 1 827 . 1 1 79 79 VAL HG22 H 1 0.648 0.01 . 1 . . . . 70 V HG2# . 7058 1 828 . 1 1 79 79 VAL HG23 H 1 0.648 0.01 . 1 . . . . 70 V HG2# . 7058 1 829 . 1 1 79 79 VAL C C 13 179.101 0.1 . 1 . . . . 70 V CO . 7058 1 830 . 1 1 79 79 VAL CA C 13 66.181 0.1 . 1 . . . . 70 V CA . 7058 1 831 . 1 1 79 79 VAL CB C 13 31.655 0.1 . 1 . . . . 70 V CB . 7058 1 832 . 1 1 79 79 VAL CG1 C 13 21.651 0.1 . 1 . . . . 70 V CG1 . 7058 1 833 . 1 1 79 79 VAL CG2 C 13 22.023 0.1 . 1 . . . . 70 V CG2 . 7058 1 834 . 1 1 79 79 VAL N N 15 120.775 0.1 . 1 . . . . 70 V N . 7058 1 835 . 1 1 80 80 ALA H H 1 8.962 0.01 . 1 . . . . 71 A NH . 7058 1 836 . 1 1 80 80 ALA HA H 1 3.983 0.01 . 1 . . . . 71 A HA . 7058 1 837 . 1 1 80 80 ALA HB1 H 1 1.7 0.01 . 1 . . . . 71 A HB# . 7058 1 838 . 1 1 80 80 ALA HB2 H 1 1.7 0.01 . 1 . . . . 71 A HB# . 7058 1 839 . 1 1 80 80 ALA HB3 H 1 1.7 0.01 . 1 . . . . 71 A HB# . 7058 1 840 . 1 1 80 80 ALA C C 13 179.746 0.1 . 1 . . . . 71 A CO . 7058 1 841 . 1 1 80 80 ALA CA C 13 55.201 0.1 . 1 . . . . 71 A CA . 7058 1 842 . 1 1 80 80 ALA CB C 13 18.728 0.1 . 1 . . . . 71 A CB . 7058 1 843 . 1 1 80 80 ALA N N 15 121.67 0.1 . 1 . . . . 71 A N . 7058 1 844 . 1 1 81 81 GLU H H 1 7.56 0.01 . 1 . . . . 72 E NH . 7058 1 845 . 1 1 81 81 GLU HA H 1 4.047 0.01 . 1 . . . . 72 E HA . 7058 1 846 . 1 1 81 81 GLU HB2 H 1 2.012 0.01 . 1 . . . . 72 E HB1 . 7058 1 847 . 1 1 81 81 GLU HB3 H 1 2.243 0.01 . 1 . . . . 72 E HB2 . 7058 1 848 . 1 1 81 81 GLU HG2 H 1 2.056 0.01 . 1 . . . . 72 E HG1 . 7058 1 849 . 1 1 81 81 GLU HG3 H 1 2.171 0.01 . 1 . . . . 72 E HG2 . 7058 1 850 . 1 1 81 81 GLU C C 13 178.306 0.1 . 1 . . . . 72 E CO . 7058 1 851 . 1 1 81 81 GLU CA C 13 59.352 0.1 . 1 . . . . 72 E CA . 7058 1 852 . 1 1 81 81 GLU CB C 13 30.203 0.1 . 1 . . . . 72 E CB . 7058 1 853 . 1 1 81 81 GLU CG C 13 35.9 0.1 . 1 . . . . 72 E CG . 7058 1 854 . 1 1 81 81 GLU N N 15 118.202 0.1 . 1 . . . . 72 E N . 7058 1 855 . 1 1 82 82 ASN H H 1 8.583 0.01 . 1 . . . . 73 N NH . 7058 1 856 . 1 1 82 82 ASN HA H 1 4.408 0.01 . 1 . . . . 73 N HA . 7058 1 857 . 1 1 82 82 ASN HB2 H 1 2.844 0.01 . 1 . . . . 73 N HB1 . 7058 1 858 . 1 1 82 82 ASN HB3 H 1 2.844 0.01 . 1 . . . . 73 N HB2 . 7058 1 859 . 1 1 82 82 ASN HD21 H 1 6.994 0.01 . 1 . . . . 73 N HD21 . 7058 1 860 . 1 1 82 82 ASN HD22 H 1 7.67 0.01 . 1 . . . . 73 N HD22 . 7058 1 861 . 1 1 82 82 ASN C C 13 176.908 0.1 . 1 . . . . 73 N CO . 7058 1 862 . 1 1 82 82 ASN CA C 13 56.273 0.1 . 1 . . . . 73 N CA . 7058 1 863 . 1 1 82 82 ASN CB C 13 39.137 0.1 . 1 . . . . 73 N CB . 7058 1 864 . 1 1 82 82 ASN N N 15 117.011 0.1 . 1 . . . . 73 N N . 7058 1 865 . 1 1 82 82 ASN ND2 N 15 111.755 0.1 . 1 . . . . 73 N ND2 . 7058 1 866 . 1 1 83 83 GLU H H 1 8.998 0.01 . 1 . . . . 74 E NH . 7058 1 867 . 1 1 83 83 GLU HA H 1 4.66 0.01 . 1 . . . . 74 E HA . 7058 1 868 . 1 1 83 83 GLU HB2 H 1 1.886 0.01 . 1 . . . . 74 E HB1 . 7058 1 869 . 1 1 83 83 GLU HB3 H 1 2.162 0.01 . 1 . . . . 74 E HB2 . 7058 1 870 . 1 1 83 83 GLU HG2 H 1 2.317 0.01 . 1 . . . . 74 E HG1 . 7058 1 871 . 1 1 83 83 GLU HG3 H 1 2.317 0.01 . 1 . . . . 74 E HG2 . 7058 1 872 . 1 1 83 83 GLU C C 13 177.824 0.1 . 1 . . . . 74 E CO . 7058 1 873 . 1 1 83 83 GLU CA C 13 56.559 0.1 . 1 . . . . 74 E CA . 7058 1 874 . 1 1 83 83 GLU CB C 13 29.785 0.1 . 1 . . . . 74 E CB . 7058 1 875 . 1 1 83 83 GLU CG C 13 35.68 0.1 . 1 . . . . 74 E CG . 7058 1 876 . 1 1 83 83 GLU N N 15 114.178 0.1 . 1 . . . . 74 E N . 7058 1 877 . 1 1 84 84 LEU H H 1 6.877 0.01 . 1 . . . . 75 L NH . 7058 1 878 . 1 1 84 84 LEU HA H 1 4.787 0.01 . 1 . . . . 75 L HA . 7058 1 879 . 1 1 84 84 LEU HB2 H 1 1.87 0.01 . 1 . . . . 75 L HB1 . 7058 1 880 . 1 1 84 84 LEU HB3 H 1 2.37 0.01 . 1 . . . . 75 L HB2 . 7058 1 881 . 1 1 84 84 LEU HG H 1 1.582 0.01 . 1 . . . . 75 L HG . 7058 1 882 . 1 1 84 84 LEU HD11 H 1 0.892 0.01 . 1 . . . . 75 L HD1# . 7058 1 883 . 1 1 84 84 LEU HD12 H 1 0.892 0.01 . 1 . . . . 75 L HD1# . 7058 1 884 . 1 1 84 84 LEU HD13 H 1 0.892 0.01 . 1 . . . . 75 L HD1# . 7058 1 885 . 1 1 84 84 LEU HD21 H 1 0.957 0.01 . 1 . . . . 75 L HD2# . 7058 1 886 . 1 1 84 84 LEU HD22 H 1 0.957 0.01 . 1 . . . . 75 L HD2# . 7058 1 887 . 1 1 84 84 LEU HD23 H 1 0.957 0.01 . 1 . . . . 75 L HD2# . 7058 1 888 . 1 1 84 84 LEU C C 13 176.985 0.1 . 1 . . . . 75 L CO . 7058 1 889 . 1 1 84 84 LEU CA C 13 54.474 0.1 . 1 . . . . 75 L CA . 7058 1 890 . 1 1 84 84 LEU CB C 13 42.677 0.1 . 1 . . . . 75 L CB . 7058 1 891 . 1 1 84 84 LEU CG C 13 27.615 0.1 . 1 . . . . 75 L CG . 7058 1 892 . 1 1 84 84 LEU CD1 C 13 23.443 0.1 . 1 . . . . 75 L CD1 . 7058 1 893 . 1 1 84 84 LEU CD2 C 13 26.634 0.1 . 1 . . . . 75 L CD2 . 7058 1 894 . 1 1 84 84 LEU N N 15 114.478 0.1 . 1 . . . . 75 L N . 7058 1 895 . 1 1 85 85 GLY H H 1 7.167 0.01 . 1 . . . . 76 G NH . 7058 1 896 . 1 1 85 85 GLY HA2 H 1 3.935 0.01 . 1 . . . . 76 G HA1 . 7058 1 897 . 1 1 85 85 GLY HA3 H 1 3.935 0.01 . 1 . . . . 76 G HA2 . 7058 1 898 . 1 1 85 85 GLY C C 13 174.387 0.1 . 1 . . . . 76 G CO . 7058 1 899 . 1 1 85 85 GLY CA C 13 46.511 0.1 . 1 . . . . 76 G CA . 7058 1 900 . 1 1 85 85 GLY N N 15 107.319 0.1 . 1 . . . . 76 G N . 7058 1 901 . 1 1 86 86 ILE H H 1 7.878 0.01 . 1 . . . . 77 I NH . 7058 1 902 . 1 1 86 86 ILE HA H 1 4.024 0.01 . 1 . . . . 77 I HA . 7058 1 903 . 1 1 86 86 ILE HB H 1 1.378 0.01 . 1 . . . . 77 I HB . 7058 1 904 . 1 1 86 86 ILE HG12 H 1 0.868 0.01 . 1 . . . . 77 I HG11 . 7058 1 905 . 1 1 86 86 ILE HG13 H 1 0.552 0.01 . 1 . . . . 77 I HG12 . 7058 1 906 . 1 1 86 86 ILE HG21 H 1 0.235 0.01 . 1 . . . . 77 I HG2# . 7058 1 907 . 1 1 86 86 ILE HG22 H 1 0.235 0.01 . 1 . . . . 77 I HG2# . 7058 1 908 . 1 1 86 86 ILE HG23 H 1 0.235 0.01 . 1 . . . . 77 I HG2# . 7058 1 909 . 1 1 86 86 ILE HD11 H 1 0.063 0.01 . 1 . . . . 77 I HD1# . 7058 1 910 . 1 1 86 86 ILE HD12 H 1 0.063 0.01 . 1 . . . . 77 I HD1# . 7058 1 911 . 1 1 86 86 ILE HD13 H 1 0.063 0.01 . 1 . . . . 77 I HD1# . 7058 1 912 . 1 1 86 86 ILE C C 13 175.345 0.1 . 1 . . . . 77 I CO . 7058 1 913 . 1 1 86 86 ILE CA C 13 58.353 0.1 . 1 . . . . 77 I CA . 7058 1 914 . 1 1 86 86 ILE CB C 13 36.32 0.1 . 1 . . . . 77 I CB . 7058 1 915 . 1 1 86 86 ILE CG1 C 13 25.282 0.1 . 1 . . . . 77 I CG1 . 7058 1 916 . 1 1 86 86 ILE CG2 C 13 16.928 0.1 . 1 . . . . 77 I CG2 . 7058 1 917 . 1 1 86 86 ILE CD1 C 13 9.802 0.1 . 1 . . . . 77 I CD1 . 7058 1 918 . 1 1 86 86 ILE N N 15 121.497 0.1 . 1 . . . . 77 I N . 7058 1 919 . 1 1 87 87 THR H H 1 8.283 0.01 . 1 . . . . 78 T NH . 7058 1 920 . 1 1 87 87 THR HA H 1 4.257 0.01 . 1 . . . . 78 T HA . 7058 1 921 . 1 1 87 87 THR HB H 1 4.027 0.01 . 1 . . . . 78 T HB . 7058 1 922 . 1 1 87 87 THR HG21 H 1 1.252 0.01 . 1 . . . . 78 T HG2# . 7058 1 923 . 1 1 87 87 THR HG22 H 1 1.252 0.01 . 1 . . . . 78 T HG2# . 7058 1 924 . 1 1 87 87 THR HG23 H 1 1.252 0.01 . 1 . . . . 78 T HG2# . 7058 1 925 . 1 1 87 87 THR CA C 13 61.063 0.1 . 1 . . . . 78 T CA . 7058 1 926 . 1 1 87 87 THR CB C 13 69.254 0.1 . 1 . . . . 78 T CB . 7058 1 927 . 1 1 87 87 THR CG2 C 13 21.332 0.1 . 1 . . . . 78 T CG2 . 7058 1 928 . 1 1 87 87 THR N N 15 126.239 0.1 . 1 . . . . 78 T N . 7058 1 929 . 1 1 88 88 PRO HA H 1 4.57 0.01 . 1 . . . . 79 P HA . 7058 1 930 . 1 1 88 88 PRO HB2 H 1 1.973 0.01 . 1 . . . . 79 P HB1 . 7058 1 931 . 1 1 88 88 PRO HB3 H 1 2.116 0.01 . 1 . . . . 79 P HB2 . 7058 1 932 . 1 1 88 88 PRO HG2 H 1 2.137 0.01 . 1 . . . . 79 P HG1 . 7058 1 933 . 1 1 88 88 PRO HG3 H 1 2.137 0.01 . 1 . . . . 79 P HG2 . 7058 1 934 . 1 1 88 88 PRO HD2 H 1 3.735 0.01 . 1 . . . . 79 P HD1 . 7058 1 935 . 1 1 88 88 PRO HD3 H 1 3.735 0.01 . 1 . . . . 79 P HD2 . 7058 1 936 . 1 1 88 88 PRO C C 13 176.765 0.1 . 1 . . . . 79 P CO . 7058 1 937 . 1 1 88 88 PRO CA C 13 63.49 0.1 . 1 . . . . 79 P CA . 7058 1 938 . 1 1 88 88 PRO CB C 13 30.899 0.1 . 1 . . . . 79 P CB . 7058 1 939 . 1 1 88 88 PRO CG C 13 27.662 0.1 . 1 . . . . 79 P CG . 7058 1 940 . 1 1 88 88 PRO CD C 13 51.278 0.1 . 1 . . . . 79 P CD . 7058 1 941 . 1 1 89 89 VAL H H 1 7.223 0.01 . 1 . . . . 80 V NH . 7058 1 942 . 1 1 89 89 VAL HA H 1 4.154 0.01 . 1 . . . . 80 V HA . 7058 1 943 . 1 1 89 89 VAL HB H 1 2.123 0.01 . 1 . . . . 80 V HB . 7058 1 944 . 1 1 89 89 VAL HG11 H 1 1.001 0.01 . 1 . . . . 80 V HG1# . 7058 1 945 . 1 1 89 89 VAL HG12 H 1 1.001 0.01 . 1 . . . . 80 V HG1# . 7058 1 946 . 1 1 89 89 VAL HG13 H 1 1.001 0.01 . 1 . . . . 80 V HG1# . 7058 1 947 . 1 1 89 89 VAL HG21 H 1 1 0.01 . 1 . . . . 80 V HG2# . 7058 1 948 . 1 1 89 89 VAL HG22 H 1 1 0.01 . 1 . . . . 80 V HG2# . 7058 1 949 . 1 1 89 89 VAL HG23 H 1 1 0.01 . 1 . . . . 80 V HG2# . 7058 1 950 . 1 1 89 89 VAL C C 13 174.103 0.1 . 1 . . . . 80 V CO . 7058 1 951 . 1 1 89 89 VAL CA C 13 62.514 0.1 . 1 . . . . 80 V CA . 7058 1 952 . 1 1 89 89 VAL CB C 13 33.144 0.1 . 1 . . . . 80 V CB . 7058 1 953 . 1 1 89 89 VAL CG1 C 13 20.262 0.1 . 1 . . . . 80 V CG1 . 7058 1 954 . 1 1 89 89 VAL CG2 C 13 21.547 0.1 . 1 . . . . 80 V CG2 . 7058 1 955 . 1 1 89 89 VAL N N 15 119.461 0.1 . 1 . . . . 80 V N . 7058 1 956 . 1 1 90 90 VAL H H 1 6.97 0.01 . 1 . . . . 81 V NH . 7058 1 957 . 1 1 90 90 VAL HA H 1 4.541 0.01 . 1 . . . . 81 V HA . 7058 1 958 . 1 1 90 90 VAL HB H 1 1.794 0.01 . 1 . . . . 81 V HB . 7058 1 959 . 1 1 90 90 VAL HG11 H 1 0.589 0.01 . 1 . . . . 81 V HG1# . 7058 1 960 . 1 1 90 90 VAL HG12 H 1 0.589 0.01 . 1 . . . . 81 V HG1# . 7058 1 961 . 1 1 90 90 VAL HG13 H 1 0.589 0.01 . 1 . . . . 81 V HG1# . 7058 1 962 . 1 1 90 90 VAL HG21 H 1 0.747 0.01 . 1 . . . . 81 V HG2# . 7058 1 963 . 1 1 90 90 VAL HG22 H 1 0.747 0.01 . 1 . . . . 81 V HG2# . 7058 1 964 . 1 1 90 90 VAL HG23 H 1 0.747 0.01 . 1 . . . . 81 V HG2# . 7058 1 965 . 1 1 90 90 VAL C C 13 173.457 0.1 . 1 . . . . 81 V CO . 7058 1 966 . 1 1 90 90 VAL CA C 13 57.96 0.1 . 1 . . . . 81 V CA . 7058 1 967 . 1 1 90 90 VAL CB C 13 34.592 0.1 . 1 . . . . 81 V CB . 7058 1 968 . 1 1 90 90 VAL CG1 C 13 20.818 0.1 . 1 . . . . 81 V CG1 . 7058 1 969 . 1 1 90 90 VAL CG2 C 13 20.262 0.1 . 1 . . . . 81 V CG2 . 7058 1 970 . 1 1 90 90 VAL N N 15 114.408 0.1 . 1 . . . . 81 V N . 7058 1 971 . 1 1 91 91 SER H H 1 8.252 0.01 . 1 . . . . 82 S NH . 7058 1 972 . 1 1 91 91 SER HA H 1 4.444 0.01 . 1 . . . . 82 S HA . 7058 1 973 . 1 1 91 91 SER HB2 H 1 3.926 0.01 . 1 . . . . 82 S HB1 . 7058 1 974 . 1 1 91 91 SER HB3 H 1 4.268 0.01 . 1 . . . . 82 S HB2 . 7058 1 975 . 1 1 91 91 SER C C 13 174.591 0.1 . 1 . . . . 82 S CO . 7058 1 976 . 1 1 91 91 SER CA C 13 56.508 0.1 . 1 . . . . 82 S CA . 7058 1 977 . 1 1 91 91 SER CB C 13 65.142 0.1 . 1 . . . . 82 S CB . 7058 1 978 . 1 1 91 91 SER N N 15 118.819 0.1 . 1 . . . . 82 S N . 7058 1 979 . 1 1 92 92 ALA H H 1 8.933 0.01 . 1 . . . . 83 A NH . 7058 1 980 . 1 1 92 92 ALA HA H 1 3.959 0.01 . 1 . . . . 83 A HA . 7058 1 981 . 1 1 92 92 ALA HB1 H 1 1.427 0.01 . 1 . . . . 83 A HB# . 7058 1 982 . 1 1 92 92 ALA HB2 H 1 1.427 0.01 . 1 . . . . 83 A HB# . 7058 1 983 . 1 1 92 92 ALA HB3 H 1 1.427 0.01 . 1 . . . . 83 A HB# . 7058 1 984 . 1 1 92 92 ALA C C 13 179.032 0.1 . 1 . . . . 83 A CO . 7058 1 985 . 1 1 92 92 ALA CA C 13 55.348 0.1 . 1 . . . . 83 A CA . 7058 1 986 . 1 1 92 92 ALA CB C 13 17.88 0.1 . 1 . . . . 83 A CB . 7058 1 987 . 1 1 92 92 ALA N N 15 123.507 0.1 . 1 . . . . 83 A N . 7058 1 988 . 1 1 93 93 GLN H H 1 8.514 0.01 . 1 . . . . 84 Q NH . 7058 1 989 . 1 1 93 93 GLN HA H 1 3.861 0.01 . 1 . . . . 84 Q HA . 7058 1 990 . 1 1 93 93 GLN HB2 H 1 1.945 0.01 . 1 . . . . 84 Q HB1 . 7058 1 991 . 1 1 93 93 GLN HB3 H 1 2.105 0.01 . 1 . . . . 84 Q HB2 . 7058 1 992 . 1 1 93 93 GLN HG2 H 1 2.428 0.01 . 1 . . . . 84 Q HG1 . 7058 1 993 . 1 1 93 93 GLN HG3 H 1 2.507 0.01 . 1 . . . . 84 Q HG2 . 7058 1 994 . 1 1 93 93 GLN HE21 H 1 6.955 0.01 . 1 . . . . 84 Q HE21 . 7058 1 995 . 1 1 93 93 GLN HE22 H 1 7.466 0.01 . 1 . . . . 84 Q HE22 . 7058 1 996 . 1 1 93 93 GLN C C 13 177.919 0.1 . 1 . . . . 84 Q CO . 7058 1 997 . 1 1 93 93 GLN CA C 13 58.936 0.1 . 1 . . . . 84 Q CA . 7058 1 998 . 1 1 93 93 GLN CB C 13 27.774 0.1 . 1 . . . . 84 Q CB . 7058 1 999 . 1 1 93 93 GLN CG C 13 33.785 0.1 . 1 . . . . 84 Q CG . 7058 1 1000 . 1 1 93 93 GLN N N 15 114.587 0.1 . 1 . . . . 84 Q N . 7058 1 1001 . 1 1 93 93 GLN NE2 N 15 111.27 0.1 . 1 . . . . 84 Q NE2 . 7058 1 1002 . 1 1 94 94 ALA H H 1 7.81 0.01 . 1 . . . . 85 A NH . 7058 1 1003 . 1 1 94 94 ALA HA H 1 4.316 0.01 . 1 . . . . 85 A HA . 7058 1 1004 . 1 1 94 94 ALA HB1 H 1 1.453 0.01 . 1 . . . . 85 A HB# . 7058 1 1005 . 1 1 94 94 ALA HB2 H 1 1.453 0.01 . 1 . . . . 85 A HB# . 7058 1 1006 . 1 1 94 94 ALA HB3 H 1 1.453 0.01 . 1 . . . . 85 A HB# . 7058 1 1007 . 1 1 94 94 ALA C C 13 181.637 0.1 . 1 . . . . 85 A CO . 7058 1 1008 . 1 1 94 94 ALA CA C 13 54.532 0.01 . 1 . . . . 85 A CA . 7058 1 1009 . 1 1 94 94 ALA CB C 13 19.311 0.01 . 1 . . . . 85 A CB . 7058 1 1010 . 1 1 94 94 ALA N N 15 121.598 0.1 . 1 . . . . 85 A N . 7058 1 1011 . 1 1 95 95 VAL H H 1 7.953 0.01 . 1 . . . . 86 V NH . 7058 1 1012 . 1 1 95 95 VAL HA H 1 3.439 0.01 . 1 . . . . 86 V HA . 7058 1 1013 . 1 1 95 95 VAL HB H 1 2.434 0.01 . 1 . . . . 86 V HB . 7058 1 1014 . 1 1 95 95 VAL HG11 H 1 0.979 0.01 . 1 . . . . 86 V HG1# . 7058 1 1015 . 1 1 95 95 VAL HG12 H 1 0.979 0.01 . 1 . . . . 86 V HG1# . 7058 1 1016 . 1 1 95 95 VAL HG13 H 1 0.979 0.01 . 1 . . . . 86 V HG1# . 7058 1 1017 . 1 1 95 95 VAL HG21 H 1 1.083 0.01 . 1 . . . . 86 V HG2# . 7058 1 1018 . 1 1 95 95 VAL HG22 H 1 1.083 0.01 . 1 . . . . 86 V HG2# . 7058 1 1019 . 1 1 95 95 VAL HG23 H 1 1.083 0.01 . 1 . . . . 86 V HG2# . 7058 1 1020 . 1 1 95 95 VAL C C 13 178.353 0.1 . 1 . . . . 86 V CO . 7058 1 1021 . 1 1 95 95 VAL CA C 13 67.678 0.1 . 1 . . . . 86 V CA . 7058 1 1022 . 1 1 95 95 VAL CB C 13 31.964 0.1 . 1 . . . . 86 V CB . 7058 1 1023 . 1 1 95 95 VAL CG1 C 13 23.503 0.1 . 1 . . . . 86 V CG1 . 7058 1 1024 . 1 1 95 95 VAL CG2 C 13 22.082 0.1 . 1 . . . . 86 V CG2 . 7058 1 1025 . 1 1 95 95 VAL N N 15 120.9 0.1 . 1 . . . . 86 V N . 7058 1 1026 . 1 1 96 96 VAL H H 1 7.687 0.01 . 1 . . . . 87 V NH . 7058 1 1027 . 1 1 96 96 VAL HA H 1 4.464 0.01 . 1 . . . . 87 V HA . 7058 1 1028 . 1 1 96 96 VAL HB H 1 2.128 0.01 . 1 . . . . 87 V HB . 7058 1 1029 . 1 1 96 96 VAL HG11 H 1 1.012 0.01 . 1 . . . . 87 V HG1# . 7058 1 1030 . 1 1 96 96 VAL HG12 H 1 1.012 0.01 . 1 . . . . 87 V HG1# . 7058 1 1031 . 1 1 96 96 VAL HG13 H 1 1.012 0.01 . 1 . . . . 87 V HG1# . 7058 1 1032 . 1 1 96 96 VAL HG21 H 1 1.073 0.01 . 1 . . . . 87 V HG2# . 7058 1 1033 . 1 1 96 96 VAL HG22 H 1 1.073 0.01 . 1 . . . . 87 V HG2# . 7058 1 1034 . 1 1 96 96 VAL HG23 H 1 1.073 0.01 . 1 . . . . 87 V HG2# . 7058 1 1035 . 1 1 96 96 VAL C C 13 178.233 0.1 . 1 . . . . 87 V CO . 7058 1 1036 . 1 1 96 96 VAL CA C 13 64.621 0.1 . 1 . . . . 87 V CA . 7058 1 1037 . 1 1 96 96 VAL CB C 13 32.244 0.1 . 1 . . . . 87 V CB . 7058 1 1038 . 1 1 96 96 VAL CG1 C 13 21.191 0.1 . 1 . . . . 87 V CG1 . 7058 1 1039 . 1 1 96 96 VAL CG2 C 13 21.945 0.1 . 1 . . . . 87 V CG2 . 7058 1 1040 . 1 1 96 96 VAL N N 15 117.548 0.1 . 1 . . . . 87 V N . 7058 1 1041 . 1 1 97 97 ALA H H 1 8.128 0.01 . 1 . . . . 88 A NH . 7058 1 1042 . 1 1 97 97 ALA HA H 1 4.398 0.01 . 1 . . . . 88 A HA . 7058 1 1043 . 1 1 97 97 ALA HB1 H 1 1.522 0.01 . 1 . . . . 88 A HB# . 7058 1 1044 . 1 1 97 97 ALA HB2 H 1 1.522 0.01 . 1 . . . . 88 A HB# . 7058 1 1045 . 1 1 97 97 ALA HB3 H 1 1.522 0.01 . 1 . . . . 88 A HB# . 7058 1 1046 . 1 1 97 97 ALA C C 13 178.728 0.1 . 1 . . . . 88 A CO . 7058 1 1047 . 1 1 97 97 ALA CA C 13 52.312 0.1 . 1 . . . . 88 A CA . 7058 1 1048 . 1 1 97 97 ALA CB C 13 19.505 0.1 . 1 . . . . 88 A CB . 7058 1 1049 . 1 1 97 97 ALA N N 15 118.549 0.1 . 1 . . . . 88 A N . 7058 1 1050 . 1 1 98 98 GLY H H 1 7.898 0.01 . 1 . . . . 89 G NH . 7058 1 1051 . 1 1 98 98 GLY HA2 H 1 4.021 0.01 . 1 . . . . 89 G HA1 . 7058 1 1052 . 1 1 98 98 GLY HA3 H 1 4.027 0.01 . 1 . . . . 89 G HA2 . 7058 1 1053 . 1 1 98 98 GLY C C 13 176.02 0.1 . 1 . . . . 89 G CO . 7058 1 1054 . 1 1 98 98 GLY CA C 13 46.768 0.1 . 1 . . . . 89 G CA . 7058 1 1055 . 1 1 98 98 GLY N N 15 108.566 0.1 . 1 . . . . 89 G N . 7058 1 1056 . 1 1 99 99 SER H H 1 7.979 0.01 . 1 . . . . 90 S NH . 7058 1 1057 . 1 1 99 99 SER HA H 1 4.414 0.01 . 1 . . . . 90 S HA . 7058 1 1058 . 1 1 99 99 SER HB2 H 1 3.639 0.01 . 1 . . . . 90 S HB1 . 7058 1 1059 . 1 1 99 99 SER HB3 H 1 4.179 0.01 . 1 . . . . 90 S HB2 . 7058 1 1060 . 1 1 99 99 SER C C 13 174.317 0.1 . 1 . . . . 90 S CO . 7058 1 1061 . 1 1 99 99 SER CA C 13 58.589 0.1 . 1 . . . . 90 S CA . 7058 1 1062 . 1 1 99 99 SER CB C 13 64.334 0.1 . 1 . . . . 90 S CB . 7058 1 1063 . 1 1 99 99 SER N N 15 110.891 0.1 . 1 . . . . 90 S N . 7058 1 1064 . 1 1 100 100 ASP H H 1 8.871 0.01 . 1 . . . . 91 D NH . 7058 1 1065 . 1 1 100 100 ASP HA H 1 5.102 0.01 . 1 . . . . 91 D HA . 7058 1 1066 . 1 1 100 100 ASP HB2 H 1 2.368 0.01 . 1 . . . . 91 D HB1 . 7058 1 1067 . 1 1 100 100 ASP HB3 H 1 2.813 0.01 . 1 . . . . 91 D HB2 . 7058 1 1068 . 1 1 100 100 ASP CA C 13 51.551 0.1 . 1 . . . . 91 D CA . 7058 1 1069 . 1 1 100 100 ASP CB C 13 40.939 0.1 . 1 . . . . 91 D CB . 7058 1 1070 . 1 1 100 100 ASP N N 15 121.902 0.1 . 1 . . . . 91 D N . 7058 1 1071 . 1 1 101 101 PRO HA H 1 4.318 0.01 . 1 . . . . 92 P HA . 7058 1 1072 . 1 1 101 101 PRO HB2 H 1 1.993 0.01 . 1 . . . . 92 P HB1 . 7058 1 1073 . 1 1 101 101 PRO HB3 H 1 2.361 0.01 . 1 . . . . 92 P HB2 . 7058 1 1074 . 1 1 101 101 PRO HG2 H 1 2.004 0.01 . 1 . . . . 92 P HG1 . 7058 1 1075 . 1 1 101 101 PRO HG3 H 1 2.004 0.01 . 1 . . . . 92 P HG2 . 7058 1 1076 . 1 1 101 101 PRO HD2 H 1 3.367 0.01 . 1 . . . . 92 P HD1 . 7058 1 1077 . 1 1 101 101 PRO HD3 H 1 3.851 0.01 . 1 . . . . 92 P HD2 . 7058 1 1078 . 1 1 101 101 PRO C C 13 180.63 0.1 . 1 . . . . 92 P CO . 7058 1 1079 . 1 1 101 101 PRO CA C 13 64.648 0.1 . 1 . . . . 92 P CA . 7058 1 1080 . 1 1 101 101 PRO CB C 13 31.904 0.1 . 1 . . . . 92 P CB . 7058 1 1081 . 1 1 101 101 PRO CG C 13 29.714 0.1 . 1 . . . . 92 P CG . 7058 1 1082 . 1 1 101 101 PRO CD C 13 50.2 0.1 . 1 . . . . 92 P CD . 7058 1 1083 . 1 1 102 102 LEU H H 1 8.642 0.01 . 1 . . . . 93 L NH . 7058 1 1084 . 1 1 102 102 LEU HA H 1 4.145 0.01 . 1 . . . . 93 L HA . 7058 1 1085 . 1 1 102 102 LEU HB2 H 1 1.46 0.01 . 1 . . . . 93 L HB1 . 7058 1 1086 . 1 1 102 102 LEU HB3 H 1 1.92 0.01 . 1 . . . . 93 L HB2 . 7058 1 1087 . 1 1 102 102 LEU HG H 1 1.752 0.01 . 1 . . . . 93 L HG . 7058 1 1088 . 1 1 102 102 LEU HD11 H 1 0.875 0.01 . 1 . . . . 93 L HD1# . 7058 1 1089 . 1 1 102 102 LEU HD12 H 1 0.875 0.01 . 1 . . . . 93 L HD1# . 7058 1 1090 . 1 1 102 102 LEU HD13 H 1 0.875 0.01 . 1 . . . . 93 L HD1# . 7058 1 1091 . 1 1 102 102 LEU HD21 H 1 0.949 0.01 . 1 . . . . 93 L HD2# . 7058 1 1092 . 1 1 102 102 LEU HD22 H 1 0.949 0.01 . 1 . . . . 93 L HD2# . 7058 1 1093 . 1 1 102 102 LEU HD23 H 1 0.949 0.01 . 1 . . . . 93 L HD2# . 7058 1 1094 . 1 1 102 102 LEU C C 13 180.45 0.1 . 1 . . . . 93 L CO . 7058 1 1095 . 1 1 102 102 LEU CA C 13 57.569 0.1 . 1 . . . . 93 L CA . 7058 1 1096 . 1 1 102 102 LEU CB C 13 40.083 0.1 . 1 . . . . 93 L CB . 7058 1 1097 . 1 1 102 102 LEU CG C 13 27.558 0.1 . 1 . . . . 93 L CG . 7058 1 1098 . 1 1 102 102 LEU CD1 C 13 22.68 0.1 . 1 . . . . 93 L CD1 . 7058 1 1099 . 1 1 102 102 LEU CD2 C 13 24.831 0.1 . 1 . . . . 93 L CD2 . 7058 1 1100 . 1 1 102 102 LEU N N 15 117.353 0.1 . 1 . . . . 93 L N . 7058 1 1101 . 1 1 103 103 GLY H H 1 7.83 0.01 . 1 . . . . 94 G NH . 7058 1 1102 . 1 1 103 103 GLY HA2 H 1 3.674 0.01 . 1 . . . . 94 G HA1 . 7058 1 1103 . 1 1 103 103 GLY HA3 H 1 3.832 0.01 . 1 . . . . 94 G HA2 . 7058 1 1104 . 1 1 103 103 GLY C C 13 175.688 0.1 . 1 . . . . 94 G CO . 7058 1 1105 . 1 1 103 103 GLY CA C 13 47.121 0.1 . 1 . . . . 94 G CA . 7058 1 1106 . 1 1 103 103 GLY N N 15 112.339 0.1 . 1 . . . . 94 G N . 7058 1 1107 . 1 1 104 104 LEU H H 1 8.043 0.01 . 1 . . . . 95 L NH . 7058 1 1108 . 1 1 104 104 LEU HA H 1 4.133 0.01 . 1 . . . . 95 L HA . 7058 1 1109 . 1 1 104 104 LEU HB2 H 1 1.347 0.01 . 1 . . . . 95 L HB1 . 7058 1 1110 . 1 1 104 104 LEU HB3 H 1 2.054 0.01 . 1 . . . . 95 L HB2 . 7058 1 1111 . 1 1 104 104 LEU HG H 1 1.345 0.01 . 1 . . . . 95 L HG . 7058 1 1112 . 1 1 104 104 LEU HD11 H 1 0.881 0.01 . 1 . . . . 95 L HD1# . 7058 1 1113 . 1 1 104 104 LEU HD12 H 1 0.881 0.01 . 1 . . . . 95 L HD1# . 7058 1 1114 . 1 1 104 104 LEU HD13 H 1 0.881 0.01 . 1 . . . . 95 L HD1# . 7058 1 1115 . 1 1 104 104 LEU HD21 H 1 0.97 0.01 . 1 . . . . 95 L HD2# . 7058 1 1116 . 1 1 104 104 LEU HD22 H 1 0.97 0.01 . 1 . . . . 95 L HD2# . 7058 1 1117 . 1 1 104 104 LEU HD23 H 1 0.97 0.01 . 1 . . . . 95 L HD2# . 7058 1 1118 . 1 1 104 104 LEU C C 13 178.175 0.1 . 1 . . . . 95 L CO . 7058 1 1119 . 1 1 104 104 LEU CA C 13 58.091 0.1 . 1 . . . . 95 L CA . 7058 1 1120 . 1 1 104 104 LEU CB C 13 41.031 0.1 . 1 . . . . 95 L CB . 7058 1 1121 . 1 1 104 104 LEU CG C 13 27.116 0.1 . 1 . . . . 95 L CG . 7058 1 1122 . 1 1 104 104 LEU CD1 C 13 22.581 0.1 . 1 . . . . 95 L CD1 . 7058 1 1123 . 1 1 104 104 LEU CD2 C 13 26.484 0.1 . 1 . . . . 95 L CD2 . 7058 1 1124 . 1 1 104 104 LEU N N 15 122.358 0.1 . 1 . . . . 95 L N . 7058 1 1125 . 1 1 105 105 ILE H H 1 7.683 0.01 . 1 . . . . 96 I NH . 7058 1 1126 . 1 1 105 105 ILE HA H 1 3.418 0.01 . 1 . . . . 96 I HA . 7058 1 1127 . 1 1 105 105 ILE HB H 1 1.797 0.01 . 1 . . . . 96 I HB . 7058 1 1128 . 1 1 105 105 ILE HG12 H 1 0.981 0.01 . 1 . . . . 96 I HG11 . 7058 1 1129 . 1 1 105 105 ILE HG13 H 1 1.877 0.01 . 1 . . . . 96 I HG12 . 7058 1 1130 . 1 1 105 105 ILE HG21 H 1 0.829 0.01 . 1 . . . . 96 I HG2# . 7058 1 1131 . 1 1 105 105 ILE HG22 H 1 0.829 0.01 . 1 . . . . 96 I HG2# . 7058 1 1132 . 1 1 105 105 ILE HG23 H 1 0.829 0.01 . 1 . . . . 96 I HG2# . 7058 1 1133 . 1 1 105 105 ILE HD11 H 1 0.875 0.01 . 1 . . . . 96 I HD1# . 7058 1 1134 . 1 1 105 105 ILE HD12 H 1 0.875 0.01 . 1 . . . . 96 I HD1# . 7058 1 1135 . 1 1 105 105 ILE HD13 H 1 0.875 0.01 . 1 . . . . 96 I HD1# . 7058 1 1136 . 1 1 105 105 ILE C C 13 178.068 0.1 . 1 . . . . 96 I CO . 7058 1 1137 . 1 1 105 105 ILE CA C 13 66.359 0.1 . 1 . . . . 96 I CA . 7058 1 1138 . 1 1 105 105 ILE CB C 13 37.898 0.1 . 1 . . . . 96 I CB . 7058 1 1139 . 1 1 105 105 ILE CG1 C 13 31.408 0.1 . 1 . . . . 96 I CG1 . 7058 1 1140 . 1 1 105 105 ILE CG2 C 13 16.989 0.1 . 1 . . . . 96 I CG2 . 7058 1 1141 . 1 1 105 105 ILE CD1 C 13 13.438 0.1 . 1 . . . . 96 I CD1 . 7058 1 1142 . 1 1 105 105 ILE N N 15 118.509 0.1 . 1 . . . . 96 I N . 7058 1 1143 . 1 1 106 106 ALA H H 1 8.055 0.01 . 1 . . . . 97 A NH . 7058 1 1144 . 1 1 106 106 ALA HA H 1 3.994 0.01 . 1 . . . . 97 A HA . 7058 1 1145 . 1 1 106 106 ALA HB1 H 1 1.5 0.01 . 1 . . . . 97 A HB# . 7058 1 1146 . 1 1 106 106 ALA HB2 H 1 1.5 0.01 . 1 . . . . 97 A HB# . 7058 1 1147 . 1 1 106 106 ALA HB3 H 1 1.5 0.01 . 1 . . . . 97 A HB# . 7058 1 1148 . 1 1 106 106 ALA C C 13 179.95 0.1 . 1 . . . . 97 A CO . 7058 1 1149 . 1 1 106 106 ALA CA C 13 55.202 0.1 . 1 . . . . 97 A CA . 7058 1 1150 . 1 1 106 106 ALA CB C 13 17.991 0.1 . 1 . . . . 97 A CB . 7058 1 1151 . 1 1 106 106 ALA N N 15 123.512 0.1 . 1 . . . . 97 A N . 7058 1 1152 . 1 1 107 107 TYR H H 1 8.387 0.01 . 1 . . . . 98 Y NH . 7058 1 1153 . 1 1 107 107 TYR HA H 1 4.103 0.01 . 1 . . . . 98 Y HA . 7058 1 1154 . 1 1 107 107 TYR HB2 H 1 3.099 0.01 . 1 . . . . 98 Y HB1 . 7058 1 1155 . 1 1 107 107 TYR HB3 H 1 3.266 0.01 . 1 . . . . 98 Y HB2 . 7058 1 1156 . 1 1 107 107 TYR HD1 H 1 6.989 0.01 . 1 . . . . 98 Y HD1 . 7058 1 1157 . 1 1 107 107 TYR HD2 H 1 6.989 0.01 . 1 . . . . 98 Y HD2 . 7058 1 1158 . 1 1 107 107 TYR HE1 H 1 6.731 0.01 . 1 . . . . 98 Y HE1 . 7058 1 1159 . 1 1 107 107 TYR HE2 H 1 6.731 0.01 . 1 . . . . 98 Y HE2 . 7058 1 1160 . 1 1 107 107 TYR C C 13 177.522 0.1 . 1 . . . . 98 Y CO . 7058 1 1161 . 1 1 107 107 TYR CA C 13 61.084 0.1 . 1 . . . . 98 Y CA . 7058 1 1162 . 1 1 107 107 TYR CB C 13 39.025 0.1 . 1 . . . . 98 Y CB . 7058 1 1163 . 1 1 107 107 TYR N N 15 120.02 0.1 . 1 . . . . 98 Y N . 7058 1 1164 . 1 1 108 108 LEU H H 1 8.615 0.01 . 1 . . . . 99 L NH . 7058 1 1165 . 1 1 108 108 LEU HA H 1 3.978 0.01 . 1 . . . . 99 L HA . 7058 1 1166 . 1 1 108 108 LEU HB2 H 1 1.002 0.01 . 1 . . . . 99 L HB1 . 7058 1 1167 . 1 1 108 108 LEU HB3 H 1 1.766 0.01 . 1 . . . . 99 L HB2 . 7058 1 1168 . 1 1 108 108 LEU HG H 1 1.507 0.01 . 1 . . . . 99 L HG . 7058 1 1169 . 1 1 108 108 LEU HD11 H 1 -0.3 0.01 . 1 . . . . 99 L HD1# . 7058 1 1170 . 1 1 108 108 LEU HD12 H 1 -0.3 0.01 . 1 . . . . 99 L HD1# . 7058 1 1171 . 1 1 108 108 LEU HD13 H 1 -0.3 0.01 . 1 . . . . 99 L HD1# . 7058 1 1172 . 1 1 108 108 LEU HD21 H 1 -0.043 0.01 . 1 . . . . 99 L HD2# . 7058 1 1173 . 1 1 108 108 LEU HD22 H 1 -0.043 0.01 . 1 . . . . 99 L HD2# . 7058 1 1174 . 1 1 108 108 LEU HD23 H 1 -0.043 0.01 . 1 . . . . 99 L HD2# . 7058 1 1175 . 1 1 108 108 LEU C C 13 179.709 0.1 . 1 . . . . 99 L CO . 7058 1 1176 . 1 1 108 108 LEU CA C 13 57.959 0.1 . 1 . . . . 99 L CA . 7058 1 1177 . 1 1 108 108 LEU CB C 13 41.8 0.01 . 1 . . . . 99 L CB . 7058 1 1178 . 1 1 108 108 LEU CG C 13 26.365 0.1 . 1 . . . . 99 L CG . 7058 1 1179 . 1 1 108 108 LEU CD1 C 13 24.452 0.1 . 1 . . . . 99 L CD1 . 7058 1 1180 . 1 1 108 108 LEU CD2 C 13 20.756 0.1 . 1 . . . . 99 L CD2 . 7058 1 1181 . 1 1 108 108 LEU N N 15 117.74 0.1 . 1 . . . . 99 L N . 7058 1 1182 . 1 1 109 109 SER H H 1 8.769 0.01 . 1 . . . . 100 S NH . 7058 1 1183 . 1 1 109 109 SER HA H 1 4.229 0.01 . 1 . . . . 100 S HA . 7058 1 1184 . 1 1 109 109 SER HB2 H 1 4.001 0.01 . 1 . . . . 100 S HB1 . 7058 1 1185 . 1 1 109 109 SER HB3 H 1 4.001 0.01 . 1 . . . . 100 S HB2 . 7058 1 1186 . 1 1 109 109 SER C C 13 176.646 0.1 . 1 . . . . 100 S CO . 7058 1 1187 . 1 1 109 109 SER CA C 13 61.735 0.1 . 1 . . . . 100 S CA . 7058 1 1188 . 1 1 109 109 SER CB C 13 63.28 0.1 . 1 . . . . 100 S CB . 7058 1 1189 . 1 1 109 109 SER N N 15 114.967 0.1 . 1 . . . . 100 S N . 7058 1 1190 . 1 1 110 110 HIS H H 1 8.088 0.01 . 1 . . . . 101 H NH . 7058 1 1191 . 1 1 110 110 HIS HA H 1 4.55 0.01 . 1 . . . . 101 H HA . 7058 1 1192 . 1 1 110 110 HIS HB2 H 1 3.423 0.01 . 1 . . . . 101 H HB1 . 7058 1 1193 . 1 1 110 110 HIS HB3 H 1 3.133 0.01 . 1 . . . . 101 H HB2 . 7058 1 1194 . 1 1 110 110 HIS C C 13 178.249 0.1 . 1 . . . . 101 H CO . 7058 1 1195 . 1 1 110 110 HIS CA C 13 57.504 0.1 . 1 . . . . 101 H CA . 7058 1 1196 . 1 1 110 110 HIS CB C 13 28.553 0.1 . 1 . . . . 101 H CB . 7058 1 1197 . 1 1 110 110 HIS N N 15 121.958 0.1 . 1 . . . . 101 H N . 7058 1 1198 . 1 1 111 111 PHE H H 1 7.808 0.01 . 1 . . . . 102 F NH . 7058 1 1199 . 1 1 111 111 PHE HA H 1 4.117 0.01 . 1 . . . . 102 F HA . 7058 1 1200 . 1 1 111 111 PHE HB2 H 1 3.246 0.01 . 1 . . . . 102 F HB1 . 7058 1 1201 . 1 1 111 111 PHE HB3 H 1 3.463 0.01 . 1 . . . . 102 F HB2 . 7058 1 1202 . 1 1 111 111 PHE HD1 H 1 7.014 0.01 . 1 . . . . 102 F HD1 . 7058 1 1203 . 1 1 111 111 PHE HD2 H 1 7.014 0.01 . 1 . . . . 102 F HD2 . 7058 1 1204 . 1 1 111 111 PHE HE1 H 1 7.662 0.01 . 1 . . . . 102 F HE1 . 7058 1 1205 . 1 1 111 111 PHE HE2 H 1 7.662 0.01 . 1 . . . . 102 F HE2 . 7058 1 1206 . 1 1 111 111 PHE C C 13 176.92 0.1 . 1 . . . . 102 F CO . 7058 1 1207 . 1 1 111 111 PHE CA C 13 62.367 0.1 . 1 . . . . 102 F CA . 7058 1 1208 . 1 1 111 111 PHE CB C 13 39.243 0.1 . 1 . . . . 102 F CB . 7058 1 1209 . 1 1 111 111 PHE N N 15 120.092 0.1 . 1 . . . . 102 F N . 7058 1 1210 . 1 1 112 112 HIS H H 1 7.751 0.01 . 1 . . . . 103 H NH . 7058 1 1211 . 1 1 112 112 HIS HA H 1 2.539 0.01 . 1 . . . . 103 H HA . 7058 1 1212 . 1 1 112 112 HIS HB2 H 1 2.409 0.01 . 1 . . . . 103 H HB1 . 7058 1 1213 . 1 1 112 112 HIS HB3 H 1 2.923 0.01 . 1 . . . . 103 H HB2 . 7058 1 1214 . 1 1 112 112 HIS C C 13 176.394 0.1 . 1 . . . . 103 H CO . 7058 1 1215 . 1 1 112 112 HIS CA C 13 58.134 0.1 . 1 . . . . 103 H CA . 7058 1 1216 . 1 1 112 112 HIS CB C 13 31.125 0.1 . 1 . . . . 103 H CB . 7058 1 1217 . 1 1 112 112 HIS N N 15 118.254 0.1 . 1 . . . . 103 H N . 7058 1 1218 . 1 1 113 113 SER H H 1 8.352 0.01 . 1 . . . . 104 S NH . 7058 1 1219 . 1 1 113 113 SER HA H 1 3.737 0.01 . 1 . . . . 104 S HA . 7058 1 1220 . 1 1 113 113 SER HB2 H 1 3.807 0.01 . 1 . . . . 104 S HB1 . 7058 1 1221 . 1 1 113 113 SER HB3 H 1 3.854 0.01 . 1 . . . . 104 S HB2 . 7058 1 1222 . 1 1 113 113 SER C C 13 175.999 0.1 . 1 . . . . 104 S CO . 7058 1 1223 . 1 1 113 113 SER CA C 13 61.158 0.1 . 1 . . . . 104 S CA . 7058 1 1224 . 1 1 113 113 SER CB C 13 62.86 0.1 . 1 . . . . 104 S CB . 7058 1 1225 . 1 1 113 113 SER N N 15 111.731 0.1 . 1 . . . . 104 S N . 7058 1 1226 . 1 1 114 114 ALA H H 1 7.48 0.01 . 1 . . . . 105 A NH . 7058 1 1227 . 1 1 114 114 ALA HA H 1 4.035 0.01 . 1 . . . . 105 A HA . 7058 1 1228 . 1 1 114 114 ALA HB1 H 1 1.068 0.01 . 1 . . . . 105 A HB# . 7058 1 1229 . 1 1 114 114 ALA HB2 H 1 1.068 0.01 . 1 . . . . 105 A HB# . 7058 1 1230 . 1 1 114 114 ALA HB3 H 1 1.068 0.01 . 1 . . . . 105 A HB# . 7058 1 1231 . 1 1 114 114 ALA C C 13 179.143 0.1 . 1 . . . . 105 A CO . 7058 1 1232 . 1 1 114 114 ALA CA C 13 53.988 0.1 . 1 . . . . 105 A CA . 7058 1 1233 . 1 1 114 114 ALA CB C 13 19.136 0.1 . 1 . . . . 105 A CB . 7058 1 1234 . 1 1 114 114 ALA N N 15 121.092 0.1 . 1 . . . . 105 A N . 7058 1 1235 . 1 1 115 115 PHE H H 1 7.868 0.01 . 1 . . . . 106 F NH . 7058 1 1236 . 1 1 115 115 PHE HA H 1 4.796 0.01 . 1 . . . . 106 F HA . 7058 1 1237 . 1 1 115 115 PHE HB2 H 1 3.185 0.01 . 1 . . . . 106 F HB1 . 7058 1 1238 . 1 1 115 115 PHE HB3 H 1 3.745 0.01 . 1 . . . . 106 F HB2 . 7058 1 1239 . 1 1 115 115 PHE C C 13 176.321 0.1 . 1 . . . . 106 F CO . 7058 1 1240 . 1 1 115 115 PHE CA C 13 58.697 0.1 . 1 . . . . 106 F CA . 7058 1 1241 . 1 1 115 115 PHE CB C 13 40.254 0.1 . 1 . . . . 106 F CB . 7058 1 1242 . 1 1 115 115 PHE N N 15 114.334 0.1 . 1 . . . . 106 F N . 7058 1 1243 . 1 1 116 116 LYS H H 1 7.776 0.01 . 1 . . . . 107 K NH . 7058 1 1244 . 1 1 116 116 LYS HA H 1 4.28 0.01 . 1 . . . . 107 K HA . 7058 1 1245 . 1 1 116 116 LYS HB2 H 1 1.435 0.01 . 1 . . . . 107 K HB1 . 7058 1 1246 . 1 1 116 116 LYS HB3 H 1 1.554 0.01 . 1 . . . . 107 K HB2 . 7058 1 1247 . 1 1 116 116 LYS HG2 H 1 1.128 0.01 . 1 . . . . 107 K HG1 . 7058 1 1248 . 1 1 116 116 LYS HG3 H 1 1.256 0.01 . 1 . . . . 107 K HG2 . 7058 1 1249 . 1 1 116 116 LYS HD2 H 1 1.119 0.01 . 1 . . . . 107 K HD1 . 7058 1 1250 . 1 1 116 116 LYS HD3 H 1 1.283 0.01 . 1 . . . . 107 K HD2 . 7058 1 1251 . 1 1 116 116 LYS HE2 H 1 2.771 0.01 . 1 . . . . 107 K HE1 . 7058 1 1252 . 1 1 116 116 LYS HE3 H 1 2.771 0.01 . 1 . . . . 107 K HE2 . 7058 1 1253 . 1 1 116 116 LYS C C 13 176.421 0.1 . 1 . . . . 107 K CO . 7058 1 1254 . 1 1 116 116 LYS CA C 13 57.703 0.1 . 1 . . . . 107 K CA . 7058 1 1255 . 1 1 116 116 LYS CB C 13 31.537 0.1 . 1 . . . . 107 K CB . 7058 1 1256 . 1 1 116 116 LYS CG C 13 23.787 0.1 . 1 . . . . 107 K CG . 7058 1 1257 . 1 1 116 116 LYS CD C 13 29.026 0.1 . 1 . . . . 107 K CD . 7058 1 1258 . 1 1 116 116 LYS CE C 13 41.68 0.1 . 1 . . . . 107 K CE . 7058 1 1259 . 1 1 116 116 LYS N N 15 121.376 0.1 . 1 . . . . 107 K N . 7058 1 1260 . 1 1 117 117 SER H H 1 8.425 0.01 . 1 . . . . 108 S NH . 7058 1 1261 . 1 1 117 117 SER HA H 1 4.563 0.01 . 1 . . . . 108 S HA . 7058 1 1262 . 1 1 117 117 SER HB2 H 1 3.959 0.01 . 1 . . . . 108 S HB1 . 7058 1 1263 . 1 1 117 117 SER HB3 H 1 3.959 0.01 . 1 . . . . 108 S HB2 . 7058 1 1264 . 1 1 117 117 SER C C 13 173.802 0.1 . 1 . . . . 108 S CO . 7058 1 1265 . 1 1 117 117 SER CA C 13 58.357 0.1 . 1 . . . . 108 S CA . 7058 1 1266 . 1 1 117 117 SER CB C 13 63.611 0.1 . 1 . . . . 108 S CB . 7058 1 1267 . 1 1 117 117 SER N N 15 116.877 0.1 . 1 . . . . 108 S N . 7058 1 1268 . 1 1 118 118 MET H H 1 7.967 0.01 . 1 . . . . 109 M NH . 7058 1 1269 . 1 1 118 118 MET HA H 1 4.315 0.01 . 1 . . . . 109 M HA . 7058 1 1270 . 1 1 118 118 MET HB2 H 1 2.067 0.01 . 1 . . . . 109 M HB1 . 7058 1 1271 . 1 1 118 118 MET HB3 H 1 2.185 0.01 . 1 . . . . 109 M HB2 . 7058 1 1272 . 1 1 118 118 MET HG2 H 1 2.64 0.01 . 1 . . . . 109 M HG1 . 7058 1 1273 . 1 1 118 118 MET HG3 H 1 2.64 0.01 . 1 . . . . 109 M HG2 . 7058 1 1274 . 1 1 118 118 MET CA C 13 57.421 0.1 . 1 . . . . 109 M CA . 7058 1 1275 . 1 1 118 118 MET CB C 13 33.584 0.1 . 1 . . . . 109 M CB . 7058 1 1276 . 1 1 118 118 MET CG C 13 32.509 0.1 . 1 . . . . 109 M CG . 7058 1 1277 . 1 1 118 118 MET N N 15 127.445 0.1 . 1 . . . . 109 M N . 7058 1 stop_ save_