data_15703 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15703 _Entry.Title ; Soluble form of human earliest activation antigen of leukocytes CD69 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-01 _Entry.Accession_date 2008-04-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Monika Kubickova . . . 15703 2 Pavel Kaderavek . . . 15703 3 Josef Chmelik . . . 15703 4 Lukas Zidek . . . 15703 5 Vladimir Sklenar . . . 15703 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15703 heteronucl_NOEs 1 15703 heteronucl_T1_relaxation 1 15703 heteronucl_T2_relaxation 1 15703 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 205 15703 '15N chemical shifts' 102 15703 '1H chemical shifts' 102 15703 'heteronuclear NOE values' 83 15703 'T1 relaxation values' 83 15703 'T2 relaxation values' 84 15703 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 . . 2009-02-10 2008-04-01 update BMRB 'correct residue names in data tables' 15703 1 . . 2008-11-10 2008-04-01 original author 'original release' 15703 stop_ save_ ############### # Citations # ############### save_citation _Citation.Sf_category citations _Citation.Sf_framecode citation _Citation.Entry_ID 15703 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18959746 _Citation.Full_citation . _Citation.Title ; Soluble recombinant CD69 receptors optimized to have an exceptional physical and chemical stability display prolonged circulation and remain intact in the blood of mice ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _Citation.Journal_volume 275 _Citation.Journal_issue 22 _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 5589 _Citation.Page_last 5606 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ondrej Vanek . . . 15703 1 2 Monika Nalezkova . . . 15703 1 3 Daniel Kavan . . . 15703 1 4 Ivana Borovickova . . . 15703 1 5 Petr Pompach . . . 15703 1 6 Petr Novak . . . 15703 1 7 Vinay Kumar . . . 15703 1 8 Luca Vannucci . . . 15703 1 9 Jiri Hudecek . . . 15703 1 10 Katerina Hofbauerova . . . 15703 1 11 Vladimir Kopecky . . Jr. 15703 1 12 Jiri Brynda . . . 15703 1 13 Petr Kolenko . . . 15703 1 14 Jan Dohnalek . . . 15703 1 15 Pavel Kaderavek . . . 15703 1 16 Josef Chmelik . . . 15703 1 17 Lukas Gorcik . . . 15703 1 18 Lukas Zidek . . . 15703 1 19 Vladimir Sklenar . . . 15703 1 20 Karel Bezouska . . . 15703 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CD69 15703 1 'C-type lectin' 15703 1 'leukocyte activation' 15703 1 'ligand binding' 15703 1 NMR 15703 1 refolding 15703 1 stability 15703 1 'tumor therapies' 15703 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15703 _Assembly.ID 1 _Assembly.Name CD69 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CD69 1 $CD69 A . yes native no no . . . 15703 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CD69 _Entity.Sf_category entity _Entity.Sf_framecode CD69 _Entity.Entry_ID 15703 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CD69 _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 ; GQYTFSMPSDSHVSSCSEDW VGYQRKCYFISTVKRSWTSA QNACSEHGATLAVIDSEKDM NFLKRYAGREEHWVGLKKEP GHPWKWSNGKEFNNWFNVTG SDKCVFLKNTEVSSMECEKN LYWICNKPYK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1E87 . "Human Cd69 - Trigonal Form" . . . . . 90.77 118 100.00 100.00 3.51e-81 . . . . 15703 1 2 no PDB 1E8I . "Human Cd69-Tetragonal Form" . . . . . 90.77 118 100.00 100.00 3.51e-81 . . . . 15703 1 3 no PDB 1FM5 . "Crystal Structure Of Human Cd69" . . . . . 100.00 199 100.00 100.00 1.25e-91 . . . . 15703 1 4 no PDB 3CCK . "Human Cd69" . . . . . 90.77 118 100.00 100.00 3.51e-81 . . . . 15703 1 5 no PDB 3HUP . "High-Resolution Structure Of The Extracellular Domain Of Human Cd69" . . . . . 100.00 130 100.00 100.00 2.46e-91 . . . . 15703 1 6 no DBJ BAF84558 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 199 100.00 100.00 1.25e-91 . . . . 15703 1 7 no DBJ BAG64271 . "unnamed protein product [Homo sapiens]" . . . . . 73.08 164 100.00 100.00 6.94e-64 . . . . 15703 1 8 no EMBL CAA80298 . "CD69 [Homo sapiens]" . . . . . 100.00 199 100.00 100.00 1.25e-91 . . . . 15703 1 9 no EMBL CAA83017 . "early lymphocyte activation antigen CD69 [Homo sapiens]" . . . . . 100.00 199 100.00 100.00 1.25e-91 . . . . 15703 1 10 no GB AAB46359 . "early activation antigen CD69 [Homo sapiens]" . . . . . 100.00 199 100.00 100.00 1.25e-91 . . . . 15703 1 11 no GB AAH07037 . "CD69 molecule [Homo sapiens]" . . . . . 100.00 199 100.00 100.00 1.25e-91 . . . . 15703 1 12 no GB AAO63584 . "CD69 antigen [Homo sapiens]" . . . . . 100.00 199 100.00 100.00 1.25e-91 . . . . 15703 1 13 no GB ABM84101 . "CD69 molecule [synthetic construct]" . . . . . 100.00 199 100.00 100.00 1.25e-91 . . . . 15703 1 14 no GB ABM87473 . "CD69 molecule [synthetic construct]" . . . . . 100.00 199 100.00 100.00 1.25e-91 . . . . 15703 1 15 no REF NP_001772 . "early activation antigen CD69 [Homo sapiens]" . . . . . 100.00 199 100.00 100.00 1.25e-91 . . . . 15703 1 16 no REF XP_002822933 . "PREDICTED: early activation antigen CD69 [Pongo abelii]" . . . . . 100.00 203 98.46 99.23 1.85e-90 . . . . 15703 1 17 no REF XP_003265512 . "PREDICTED: early activation antigen CD69 isoform X1 [Nomascus leucogenys]" . . . . . 100.00 199 96.92 99.23 1.39e-89 . . . . 15703 1 18 no REF XP_003829696 . "PREDICTED: early activation antigen CD69 [Pan paniscus]" . . . . . 100.00 199 99.23 100.00 5.22e-91 . . . . 15703 1 19 no REF XP_004052729 . "PREDICTED: early activation antigen CD69 [Gorilla gorilla gorilla]" . . . . . 100.00 199 98.46 99.23 2.96e-90 . . . . 15703 1 20 no SP Q07108 . "RecName: Full=Early activation antigen CD69; AltName: Full=Activation inducer molecule; Short=AIM; AltName: Full=BL-AC/P26; Alt" . . . . . 100.00 199 100.00 100.00 1.25e-91 . . . . 15703 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'The earliest activation antigen of human leukocytes' 15703 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 15703 1 2 . GLN . 15703 1 3 . TYR . 15703 1 4 . THR . 15703 1 5 . PHE . 15703 1 6 . SER . 15703 1 7 . MET . 15703 1 8 . PRO . 15703 1 9 . SER . 15703 1 10 . ASP . 15703 1 11 . SER . 15703 1 12 . HIS . 15703 1 13 . VAL . 15703 1 14 . SER . 15703 1 15 . SER . 15703 1 16 . CYS . 15703 1 17 . SER . 15703 1 18 . GLU . 15703 1 19 . ASP . 15703 1 20 . TRP . 15703 1 21 . VAL . 15703 1 22 . GLY . 15703 1 23 . TYR . 15703 1 24 . GLN . 15703 1 25 . ARG . 15703 1 26 . LYS . 15703 1 27 . CYS . 15703 1 28 . TYR . 15703 1 29 . PHE . 15703 1 30 . ILE . 15703 1 31 . SER . 15703 1 32 . THR . 15703 1 33 . VAL . 15703 1 34 . LYS . 15703 1 35 . ARG . 15703 1 36 . SER . 15703 1 37 . TRP . 15703 1 38 . THR . 15703 1 39 . SER . 15703 1 40 . ALA . 15703 1 41 . GLN . 15703 1 42 . ASN . 15703 1 43 . ALA . 15703 1 44 . CYS . 15703 1 45 . SER . 15703 1 46 . GLU . 15703 1 47 . HIS . 15703 1 48 . GLY . 15703 1 49 . ALA . 15703 1 50 . THR . 15703 1 51 . LEU . 15703 1 52 . ALA . 15703 1 53 . VAL . 15703 1 54 . ILE . 15703 1 55 . ASP . 15703 1 56 . SER . 15703 1 57 . GLU . 15703 1 58 . LYS . 15703 1 59 . ASP . 15703 1 60 . MET . 15703 1 61 . ASN . 15703 1 62 . PHE . 15703 1 63 . LEU . 15703 1 64 . LYS . 15703 1 65 . ARG . 15703 1 66 . TYR . 15703 1 67 . ALA . 15703 1 68 . GLY . 15703 1 69 . ARG . 15703 1 70 . GLU . 15703 1 71 . GLU . 15703 1 72 . HIS . 15703 1 73 . TRP . 15703 1 74 . VAL . 15703 1 75 . GLY . 15703 1 76 . LEU . 15703 1 77 . LYS . 15703 1 78 . LYS . 15703 1 79 . GLU . 15703 1 80 . PRO . 15703 1 81 . GLY . 15703 1 82 . HIS . 15703 1 83 . PRO . 15703 1 84 . TRP . 15703 1 85 . LYS . 15703 1 86 . TRP . 15703 1 87 . SER . 15703 1 88 . ASN . 15703 1 89 . GLY . 15703 1 90 . LYS . 15703 1 91 . GLU . 15703 1 92 . PHE . 15703 1 93 . ASN . 15703 1 94 . ASN . 15703 1 95 . TRP . 15703 1 96 . PHE . 15703 1 97 . ASN . 15703 1 98 . VAL . 15703 1 99 . THR . 15703 1 100 . GLY . 15703 1 101 . SER . 15703 1 102 . ASP . 15703 1 103 . LYS . 15703 1 104 . CYS . 15703 1 105 . VAL . 15703 1 106 . PHE . 15703 1 107 . LEU . 15703 1 108 . LYS . 15703 1 109 . ASN . 15703 1 110 . THR . 15703 1 111 . GLU . 15703 1 112 . VAL . 15703 1 113 . SER . 15703 1 114 . SER . 15703 1 115 . MET . 15703 1 116 . GLU . 15703 1 117 . CYS . 15703 1 118 . GLU . 15703 1 119 . LYS . 15703 1 120 . ASN . 15703 1 121 . LEU . 15703 1 122 . TYR . 15703 1 123 . TRP . 15703 1 124 . ILE . 15703 1 125 . CYS . 15703 1 126 . ASN . 15703 1 127 . LYS . 15703 1 128 . PRO . 15703 1 129 . TYR . 15703 1 130 . LYS . 15703 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15703 1 . GLN 2 2 15703 1 . TYR 3 3 15703 1 . THR 4 4 15703 1 . PHE 5 5 15703 1 . SER 6 6 15703 1 . MET 7 7 15703 1 . PRO 8 8 15703 1 . SER 9 9 15703 1 . ASP 10 10 15703 1 . SER 11 11 15703 1 . HIS 12 12 15703 1 . VAL 13 13 15703 1 . SER 14 14 15703 1 . SER 15 15 15703 1 . CYS 16 16 15703 1 . SER 17 17 15703 1 . GLU 18 18 15703 1 . ASP 19 19 15703 1 . TRP 20 20 15703 1 . VAL 21 21 15703 1 . GLY 22 22 15703 1 . TYR 23 23 15703 1 . GLN 24 24 15703 1 . ARG 25 25 15703 1 . LYS 26 26 15703 1 . CYS 27 27 15703 1 . TYR 28 28 15703 1 . PHE 29 29 15703 1 . ILE 30 30 15703 1 . SER 31 31 15703 1 . THR 32 32 15703 1 . VAL 33 33 15703 1 . LYS 34 34 15703 1 . ARG 35 35 15703 1 . SER 36 36 15703 1 . TRP 37 37 15703 1 . THR 38 38 15703 1 . SER 39 39 15703 1 . ALA 40 40 15703 1 . GLN 41 41 15703 1 . ASN 42 42 15703 1 . ALA 43 43 15703 1 . CYS 44 44 15703 1 . SER 45 45 15703 1 . GLU 46 46 15703 1 . HIS 47 47 15703 1 . GLY 48 48 15703 1 . ALA 49 49 15703 1 . THR 50 50 15703 1 . LEU 51 51 15703 1 . ALA 52 52 15703 1 . VAL 53 53 15703 1 . ILE 54 54 15703 1 . ASP 55 55 15703 1 . SER 56 56 15703 1 . GLU 57 57 15703 1 . LYS 58 58 15703 1 . ASP 59 59 15703 1 . MET 60 60 15703 1 . ASN 61 61 15703 1 . PHE 62 62 15703 1 . LEU 63 63 15703 1 . LYS 64 64 15703 1 . ARG 65 65 15703 1 . TYR 66 66 15703 1 . ALA 67 67 15703 1 . GLY 68 68 15703 1 . ARG 69 69 15703 1 . GLU 70 70 15703 1 . GLU 71 71 15703 1 . HIS 72 72 15703 1 . TRP 73 73 15703 1 . VAL 74 74 15703 1 . GLY 75 75 15703 1 . LEU 76 76 15703 1 . LYS 77 77 15703 1 . LYS 78 78 15703 1 . GLU 79 79 15703 1 . PRO 80 80 15703 1 . GLY 81 81 15703 1 . HIS 82 82 15703 1 . PRO 83 83 15703 1 . TRP 84 84 15703 1 . LYS 85 85 15703 1 . TRP 86 86 15703 1 . SER 87 87 15703 1 . ASN 88 88 15703 1 . GLY 89 89 15703 1 . LYS 90 90 15703 1 . GLU 91 91 15703 1 . PHE 92 92 15703 1 . ASN 93 93 15703 1 . ASN 94 94 15703 1 . TRP 95 95 15703 1 . PHE 96 96 15703 1 . ASN 97 97 15703 1 . VAL 98 98 15703 1 . THR 99 99 15703 1 . GLY 100 100 15703 1 . SER 101 101 15703 1 . ASP 102 102 15703 1 . LYS 103 103 15703 1 . CYS 104 104 15703 1 . VAL 105 105 15703 1 . PHE 106 106 15703 1 . LEU 107 107 15703 1 . LYS 108 108 15703 1 . ASN 109 109 15703 1 . THR 110 110 15703 1 . GLU 111 111 15703 1 . VAL 112 112 15703 1 . SER 113 113 15703 1 . SER 114 114 15703 1 . MET 115 115 15703 1 . GLU 116 116 15703 1 . CYS 117 117 15703 1 . GLU 118 118 15703 1 . LYS 119 119 15703 1 . ASN 120 120 15703 1 . LEU 121 121 15703 1 . TYR 122 122 15703 1 . TRP 123 123 15703 1 . ILE 124 124 15703 1 . CYS 125 125 15703 1 . ASN 126 126 15703 1 . LYS 127 127 15703 1 . PRO 128 128 15703 1 . TYR 129 129 15703 1 . LYS 130 130 15703 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 15703 _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 $CD69 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15703 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 15703 _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 $CD69 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pRSETB . . . . . . 15703 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15703 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CD69 '[U-13C; U-15N]' . . 1 $CD69 . . 0.9 . . mM . . . . 15703 1 2 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15703 1 3 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 15703 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15703 1 5 MES 'natural abundance' . . . . . . 10 . . mM . . . . 15703 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15703 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CD69 [U-15N] . . 1 $CD69 . . 0.65 . . mM . . . . 15703 2 2 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 15703 2 3 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 15703 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15703 2 5 MES 'natural abundance' . . . . . . 10 . . mM . . . . 15703 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15703 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 60 . mM 15703 1 pH 5.8 . pH 15703 1 pressure 1 . atm 15703 1 temperature 300 . K 15703 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15703 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.111 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15703 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15703 1 'peak picking' 15703 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15703 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15703 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15703 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15703 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15703 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15703 3 stop_ save_ save_RELAX _Software.Sf_category software _Software.Sf_framecode RELAX _Software.Entry_ID 15703 _Software.ID 4 _Software.Name Relax _Software.Version 1.2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID d'Auvergne . . 15703 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15703 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15703 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15703 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 15703 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15703 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15703 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15703 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15703 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15703 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15703 1 6 T1 no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15703 1 7 T2 no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15703 1 8 ssNOE no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15703 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15703 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15703 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15703 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15703 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15703 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D CBCA(CO)NH' . . . 15703 1 3 '3D HNCACB' . . . 15703 1 4 '3D HNCA' . . . 15703 1 5 '3D HN(CO)CA' . . . 15703 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 TYR H H 1 8.340 0.001 . 1 . . . . 3 Y H . 15703 1 2 . 1 1 3 3 TYR CA C 13 57.567 0.043 . 1 . . . . 3 Y CA . 15703 1 3 . 1 1 3 3 TYR CB C 13 38.805 0.013 . 1 . . . . 3 Y CB . 15703 1 4 . 1 1 3 3 TYR N N 15 121.575 0.009 . 1 . . . . 3 Y N . 15703 1 5 . 1 1 4 4 THR H H 1 7.899 0.002 . 1 . . . . 4 T H . 15703 1 6 . 1 1 4 4 THR CA C 13 61.606 0.081 . 1 . . . . 4 T CA . 15703 1 7 . 1 1 4 4 THR CB C 13 69.860 0.019 . 1 . . . . 4 T CB . 15703 1 8 . 1 1 4 4 THR N N 15 117.065 0.012 . 1 . . . . 4 T N . 15703 1 9 . 1 1 5 5 PHE H H 1 8.070 0.002 . 1 . . . . 5 F H . 15703 1 10 . 1 1 5 5 PHE CA C 13 57.494 0.067 . 1 . . . . 5 F CA . 15703 1 11 . 1 1 5 5 PHE CB C 13 39.597 0.011 . 1 . . . . 5 F CB . 15703 1 12 . 1 1 5 5 PHE N N 15 122.657 0.007 . 1 . . . . 5 F N . 15703 1 13 . 1 1 6 6 SER H H 1 8.070 0.002 . 1 . . . . 6 S H . 15703 1 14 . 1 1 6 6 SER CA C 13 57.833 0.067 . 1 . . . . 6 S CA . 15703 1 15 . 1 1 6 6 SER CB C 13 63.940 0.026 . 1 . . . . 6 S CB . 15703 1 16 . 1 1 6 6 SER N N 15 117.864 0.038 . 1 . . . . 6 S N . 15703 1 17 . 1 1 7 7 MET H H 1 8.271 0.002 . 1 . . . . 7 M H . 15703 1 18 . 1 1 7 7 MET CA C 13 53.314 0.000 . 1 . . . . 7 M CA . 15703 1 19 . 1 1 7 7 MET CB C 13 32.485 0.000 . 1 . . . . 7 M CB . 15703 1 20 . 1 1 7 7 MET N N 15 123.414 0.027 . 1 . . . . 7 M N . 15703 1 21 . 1 1 8 8 PRO CA C 13 63.382 0.008 . 1 . . . . 8 P CA . 15703 1 22 . 1 1 8 8 PRO CB C 13 31.962 0.005 . 1 . . . . 8 P CB . 15703 1 23 . 1 1 9 9 SER H H 1 8.330 0.001 . 1 . . . . 9 S H . 15703 1 24 . 1 1 9 9 SER CA C 13 58.475 0.063 . 1 . . . . 9 S CA . 15703 1 25 . 1 1 9 9 SER CB C 13 63.767 0.086 . 1 . . . . 9 S CB . 15703 1 26 . 1 1 9 9 SER N N 15 115.829 0.009 . 1 . . . . 9 S N . 15703 1 27 . 1 1 10 10 ASP H H 1 8.239 0.002 . 1 . . . . 10 D H . 15703 1 28 . 1 1 10 10 ASP CA C 13 54.195 0.060 . 1 . . . . 10 D CA . 15703 1 29 . 1 1 10 10 ASP CB C 13 41.108 0.002 . 1 . . . . 10 D CB . 15703 1 30 . 1 1 10 10 ASP N N 15 122.347 0.017 . 1 . . . . 10 D N . 15703 1 31 . 1 1 11 11 SER H H 1 8.112 0.002 . 1 . . . . 11 S H . 15703 1 32 . 1 1 11 11 SER CA C 13 58.573 0.073 . 1 . . . . 11 S CA . 15703 1 33 . 1 1 11 11 SER CB C 13 63.685 0.034 . 1 . . . . 11 S CB . 15703 1 34 . 1 1 11 11 SER N N 15 116.059 0.011 . 1 . . . . 11 S N . 15703 1 35 . 1 1 12 12 HIS H H 1 8.407 0.002 . 1 . . . . 12 H H . 15703 1 36 . 1 1 12 12 HIS CA C 13 55.665 0.051 . 1 . . . . 12 H CA . 15703 1 37 . 1 1 12 12 HIS CB C 13 29.154 0.024 . 1 . . . . 12 H CB . 15703 1 38 . 1 1 12 12 HIS N N 15 120.830 0.011 . 1 . . . . 12 H N . 15703 1 39 . 1 1 13 13 VAL H H 1 8.025 0.002 . 1 . . . . 13 V H . 15703 1 40 . 1 1 13 13 VAL CA C 13 62.213 0.087 . 1 . . . . 13 V CA . 15703 1 41 . 1 1 13 13 VAL CB C 13 32.757 0.021 . 1 . . . . 13 V CB . 15703 1 42 . 1 1 13 13 VAL N N 15 121.312 0.010 . 1 . . . . 13 V N . 15703 1 43 . 1 1 14 14 SER H H 1 8.303 0.003 . 1 . . . . 14 S H . 15703 1 44 . 1 1 14 14 SER CA C 13 57.855 0.046 . 1 . . . . 14 S CA . 15703 1 45 . 1 1 14 14 SER CB C 13 64.005 0.073 . 1 . . . . 14 S CB . 15703 1 46 . 1 1 14 14 SER N N 15 119.690 0.021 . 1 . . . . 14 S N . 15703 1 47 . 1 1 15 15 SER H H 1 8.189 0.004 . 1 . . . . 15 S H . 15703 1 48 . 1 1 15 15 SER CA C 13 60.997 0.098 . 1 . . . . 15 S CA . 15703 1 49 . 1 1 15 15 SER CB C 13 68.684 0.179 . 1 . . . . 15 S CB . 15703 1 50 . 1 1 15 15 SER N N 15 108.825 0.084 . 1 . . . . 15 S N . 15703 1 51 . 1 1 16 16 CYS H H 1 7.517 0.004 . 1 . . . . 16 C H . 15703 1 52 . 1 1 16 16 CYS CA C 13 59.745 0.088 . 1 . . . . 16 C CA . 15703 1 53 . 1 1 16 16 CYS CB C 13 35.002 0.018 . 1 . . . . 16 C CB . 15703 1 54 . 1 1 16 16 CYS N N 15 117.726 0.044 . 1 . . . . 16 C N . 15703 1 55 . 1 1 17 17 SER H H 1 8.790 0.003 . 1 . . . . 17 S H . 15703 1 56 . 1 1 17 17 SER CA C 13 56.517 0.075 . 1 . . . . 17 S CA . 15703 1 57 . 1 1 17 17 SER N N 15 126.559 0.050 . 1 . . . . 17 S N . 15703 1 58 . 1 1 23 23 TYR H H 1 9.204 0.000 . 1 . . . . 23 Y H . 15703 1 59 . 1 1 23 23 TYR N N 15 124.716 0.000 . 1 . . . . 23 Y N . 15703 1 60 . 1 1 30 30 ILE H H 1 6.685 0.000 . 1 . . . . 30 I H . 15703 1 61 . 1 1 30 30 ILE CA C 13 60.232 0.059 . 1 . . . . 30 I CA . 15703 1 62 . 1 1 30 30 ILE CB C 13 39.929 0.000 . 1 . . . . 30 I CB . 15703 1 63 . 1 1 30 30 ILE N N 15 117.069 0.000 . 1 . . . . 30 I N . 15703 1 64 . 1 1 31 31 SER H H 1 8.131 0.005 . 1 . . . . 31 S H . 15703 1 65 . 1 1 31 31 SER CA C 13 58.365 0.062 . 1 . . . . 31 S CA . 15703 1 66 . 1 1 31 31 SER CB C 13 62.978 0.038 . 1 . . . . 31 S CB . 15703 1 67 . 1 1 31 31 SER N N 15 122.607 0.058 . 1 . . . . 31 S N . 15703 1 68 . 1 1 32 32 THR H H 1 8.340 0.005 . 1 . . . . 32 T H . 15703 1 69 . 1 1 32 32 THR CA C 13 61.015 0.078 . 1 . . . . 32 T CA . 15703 1 70 . 1 1 32 32 THR CB C 13 68.958 0.071 . 1 . . . . 32 T CB . 15703 1 71 . 1 1 32 32 THR N N 15 106.322 0.031 . 1 . . . . 32 T N . 15703 1 72 . 1 1 33 33 VAL H H 1 7.026 0.006 . 1 . . . . 33 V H . 15703 1 73 . 1 1 33 33 VAL CA C 13 59.127 0.013 . 1 . . . . 33 V CA . 15703 1 74 . 1 1 33 33 VAL CB C 13 35.297 0.026 . 1 . . . . 33 V CB . 15703 1 75 . 1 1 33 33 VAL N N 15 115.338 0.051 . 1 . . . . 33 V N . 15703 1 76 . 1 1 34 34 LYS H H 1 8.207 0.002 . 1 . . . . 34 K H . 15703 1 77 . 1 1 34 34 LYS CA C 13 55.214 0.031 . 1 . . . . 34 K CA . 15703 1 78 . 1 1 34 34 LYS CB C 13 34.069 0.017 . 1 . . . . 34 K CB . 15703 1 79 . 1 1 34 34 LYS N N 15 119.422 0.030 . 1 . . . . 34 K N . 15703 1 80 . 1 1 35 35 ARG H H 1 9.375 0.003 . 1 . . . . 35 R H . 15703 1 81 . 1 1 35 35 ARG CA C 13 55.071 0.078 . 1 . . . . 35 R CA . 15703 1 82 . 1 1 35 35 ARG CB C 13 37.605 0.038 . 1 . . . . 35 R CB . 15703 1 83 . 1 1 35 35 ARG N N 15 122.233 0.035 . 1 . . . . 35 R N . 15703 1 84 . 1 1 36 36 SER H H 1 8.477 0.004 . 1 . . . . 36 S H . 15703 1 85 . 1 1 36 36 SER CA C 13 57.773 0.056 . 1 . . . . 36 S CA . 15703 1 86 . 1 1 36 36 SER CB C 13 64.343 0.000 . 1 . . . . 36 S CB . 15703 1 87 . 1 1 36 36 SER N N 15 118.110 0.112 . 1 . . . . 36 S N . 15703 1 88 . 1 1 37 37 TRP H H 1 8.216 0.012 . 1 . . . . 37 W H . 15703 1 89 . 1 1 37 37 TRP CA C 13 63.389 0.061 . 1 . . . . 37 W CA . 15703 1 90 . 1 1 37 37 TRP CB C 13 31.782 0.032 . 1 . . . . 37 W CB . 15703 1 91 . 1 1 37 37 TRP N N 15 122.327 0.028 . 1 . . . . 37 W N . 15703 1 92 . 1 1 38 38 THR H H 1 8.432 0.002 . 1 . . . . 38 T H . 15703 1 93 . 1 1 38 38 THR CA C 13 66.363 0.041 . 1 . . . . 38 T CA . 15703 1 94 . 1 1 38 38 THR CB C 13 68.579 0.023 . 1 . . . . 38 T CB . 15703 1 95 . 1 1 38 38 THR N N 15 109.506 0.027 . 1 . . . . 38 T N . 15703 1 96 . 1 1 39 39 SER H H 1 7.445 0.002 . 1 . . . . 39 S H . 15703 1 97 . 1 1 39 39 SER CA C 13 61.308 0.082 . 1 . . . . 39 S CA . 15703 1 98 . 1 1 39 39 SER CB C 13 62.879 0.065 . 1 . . . . 39 S CB . 15703 1 99 . 1 1 39 39 SER N N 15 118.068 0.030 . 1 . . . . 39 S N . 15703 1 100 . 1 1 40 40 ALA H H 1 8.665 0.003 . 1 . . . . 40 A H . 15703 1 101 . 1 1 40 40 ALA CA C 13 54.559 0.053 . 1 . . . . 40 A CA . 15703 1 102 . 1 1 40 40 ALA CB C 13 17.254 0.044 . 1 . . . . 40 A CB . 15703 1 103 . 1 1 40 40 ALA N N 15 128.405 0.042 . 1 . . . . 40 A N . 15703 1 104 . 1 1 41 41 GLN H H 1 8.009 0.007 . 1 . . . . 41 Q H . 15703 1 105 . 1 1 41 41 GLN CA C 13 58.430 0.056 . 1 . . . . 41 Q CA . 15703 1 106 . 1 1 41 41 GLN CB C 13 25.970 0.060 . 1 . . . . 41 Q CB . 15703 1 107 . 1 1 41 41 GLN N N 15 118.793 0.100 . 1 . . . . 41 Q N . 15703 1 108 . 1 1 42 42 ASN H H 1 7.695 0.005 . 1 . . . . 42 N H . 15703 1 109 . 1 1 42 42 ASN CA C 13 55.939 0.064 . 1 . . . . 42 N CA . 15703 1 110 . 1 1 42 42 ASN CB C 13 37.664 0.041 . 1 . . . . 42 N CB . 15703 1 111 . 1 1 42 42 ASN N N 15 118.545 0.068 . 1 . . . . 42 N N . 15703 1 112 . 1 1 43 43 ALA H H 1 7.770 0.002 . 1 . . . . 43 A H . 15703 1 113 . 1 1 43 43 ALA CA C 13 55.281 0.047 . 1 . . . . 43 A CA . 15703 1 114 . 1 1 43 43 ALA CB C 13 17.796 0.046 . 1 . . . . 43 A CB . 15703 1 115 . 1 1 43 43 ALA N N 15 124.720 0.021 . 1 . . . . 43 A N . 15703 1 116 . 1 1 44 44 CYS H H 1 8.652 0.002 . 1 . . . . 44 C H . 15703 1 117 . 1 1 44 44 CYS CA C 13 56.571 0.051 . 1 . . . . 44 C CA . 15703 1 118 . 1 1 44 44 CYS CB C 13 35.300 0.032 . 1 . . . . 44 C CB . 15703 1 119 . 1 1 44 44 CYS N N 15 116.590 0.063 . 1 . . . . 44 C N . 15703 1 120 . 1 1 45 45 SER H H 1 8.678 0.006 . 1 . . . . 45 S H . 15703 1 121 . 1 1 45 45 SER CA C 13 61.879 0.133 . 1 . . . . 45 S CA . 15703 1 122 . 1 1 45 45 SER CB C 13 62.655 0.007 . 1 . . . . 45 S CB . 15703 1 123 . 1 1 45 45 SER N N 15 119.984 0.056 . 1 . . . . 45 S N . 15703 1 124 . 1 1 46 46 GLU H H 1 7.852 0.006 . 1 . . . . 46 E H . 15703 1 125 . 1 1 46 46 GLU CA C 13 58.726 0.046 . 1 . . . . 46 E CA . 15703 1 126 . 1 1 46 46 GLU CB C 13 29.248 0.036 . 1 . . . . 46 E CB . 15703 1 127 . 1 1 46 46 GLU N N 15 123.429 0.060 . 1 . . . . 46 E N . 15703 1 128 . 1 1 47 47 HIS H H 1 7.485 0.003 . 1 . . . . 47 H H . 15703 1 129 . 1 1 47 47 HIS CA C 13 55.080 0.060 . 1 . . . . 47 H CA . 15703 1 130 . 1 1 47 47 HIS CB C 13 30.171 0.062 . 1 . . . . 47 H CB . 15703 1 131 . 1 1 47 47 HIS N N 15 115.220 0.068 . 1 . . . . 47 H N . 15703 1 132 . 1 1 48 48 GLY H H 1 7.960 0.003 . 1 . . . . 48 G H . 15703 1 133 . 1 1 48 48 GLY CA C 13 46.500 0.021 . 1 . . . . 48 G CA . 15703 1 134 . 1 1 48 48 GLY N N 15 108.692 0.039 . 1 . . . . 48 G N . 15703 1 135 . 1 1 49 49 ALA H H 1 7.878 0.002 . 1 . . . . 49 A H . 15703 1 136 . 1 1 49 49 ALA CA C 13 49.484 0.073 . 1 . . . . 49 A CA . 15703 1 137 . 1 1 49 49 ALA CB C 13 23.145 0.019 . 1 . . . . 49 A CB . 15703 1 138 . 1 1 49 49 ALA N N 15 121.009 0.017 . 1 . . . . 49 A N . 15703 1 139 . 1 1 50 50 THR H H 1 8.301 0.006 . 1 . . . . 50 T H . 15703 1 140 . 1 1 50 50 THR CA C 13 60.281 0.186 . 1 . . . . 50 T CA . 15703 1 141 . 1 1 50 50 THR N N 15 111.755 0.103 . 1 . . . . 50 T N . 15703 1 142 . 1 1 51 51 LEU CA C 13 57.468 0.003 . 1 . . . . 51 L CA . 15703 1 143 . 1 1 52 52 ALA H H 1 8.705 0.004 . 1 . . . . 52 A H . 15703 1 144 . 1 1 52 52 ALA CA C 13 54.301 0.083 . 1 . . . . 52 A CA . 15703 1 145 . 1 1 52 52 ALA CB C 13 19.473 0.026 . 1 . . . . 52 A CB . 15703 1 146 . 1 1 52 52 ALA N N 15 119.968 0.071 . 1 . . . . 52 A N . 15703 1 147 . 1 1 53 53 VAL H H 1 7.858 0.008 . 1 . . . . 53 V H . 15703 1 148 . 1 1 53 53 VAL CA C 13 61.132 0.049 . 1 . . . . 53 V CA . 15703 1 149 . 1 1 53 53 VAL N N 15 121.387 0.102 . 1 . . . . 53 V N . 15703 1 150 . 1 1 54 54 ILE CA C 13 61.209 0.044 . 1 . . . . 54 I CA . 15703 1 151 . 1 1 54 54 ILE CB C 13 39.089 0.000 . 1 . . . . 54 I CB . 15703 1 152 . 1 1 55 55 ASP H H 1 9.193 0.009 . 1 . . . . 55 D H . 15703 1 153 . 1 1 55 55 ASP CA C 13 56.004 0.102 . 1 . . . . 55 D CA . 15703 1 154 . 1 1 55 55 ASP CB C 13 43.288 0.036 . 1 . . . . 55 D CB . 15703 1 155 . 1 1 55 55 ASP N N 15 125.519 0.123 . 1 . . . . 55 D N . 15703 1 156 . 1 1 56 56 SER H H 1 7.963 0.006 . 1 . . . . 56 S H . 15703 1 157 . 1 1 56 56 SER CA C 13 56.438 0.065 . 1 . . . . 56 S CA . 15703 1 158 . 1 1 56 56 SER CB C 13 67.383 0.047 . 1 . . . . 56 S CB . 15703 1 159 . 1 1 56 56 SER N N 15 113.129 0.018 . 1 . . . . 56 S N . 15703 1 160 . 1 1 57 57 GLU H H 1 8.927 0.002 . 1 . . . . 57 E H . 15703 1 161 . 1 1 57 57 GLU CA C 13 59.477 0.106 . 1 . . . . 57 E CA . 15703 1 162 . 1 1 57 57 GLU CB C 13 29.415 0.040 . 1 . . . . 57 E CB . 15703 1 163 . 1 1 57 57 GLU N N 15 122.291 0.033 . 1 . . . . 57 E N . 15703 1 164 . 1 1 58 58 LYS H H 1 7.967 0.003 . 1 . . . . 58 K H . 15703 1 165 . 1 1 58 58 LYS CA C 13 60.283 0.041 . 1 . . . . 58 K CA . 15703 1 166 . 1 1 58 58 LYS CB C 13 32.125 0.134 . 1 . . . . 58 K CB . 15703 1 167 . 1 1 58 58 LYS N N 15 118.682 0.023 . 1 . . . . 58 K N . 15703 1 168 . 1 1 59 59 ASP H H 1 7.885 0.010 . 1 . . . . 59 D H . 15703 1 169 . 1 1 59 59 ASP N N 15 121.041 0.058 . 1 . . . . 59 D N . 15703 1 170 . 1 1 60 60 MET CA C 13 58.477 0.060 . 1 . . . . 60 M CA . 15703 1 171 . 1 1 60 60 MET CB C 13 32.567 0.075 . 1 . . . . 60 M CB . 15703 1 172 . 1 1 61 61 ASN H H 1 8.650 0.005 . 1 . . . . 61 N H . 15703 1 173 . 1 1 61 61 ASN CA C 13 56.008 0.091 . 1 . . . . 61 N CA . 15703 1 174 . 1 1 61 61 ASN CB C 13 37.782 0.025 . 1 . . . . 61 N CB . 15703 1 175 . 1 1 61 61 ASN N N 15 117.351 0.053 . 1 . . . . 61 N N . 15703 1 176 . 1 1 62 62 PHE H H 1 7.634 0.004 . 1 . . . . 62 F H . 15703 1 177 . 1 1 62 62 PHE CA C 13 60.729 0.069 . 1 . . . . 62 F CA . 15703 1 178 . 1 1 62 62 PHE CB C 13 39.672 0.000 . 1 . . . . 62 F CB . 15703 1 179 . 1 1 62 62 PHE N N 15 121.517 0.040 . 1 . . . . 62 F N . 15703 1 180 . 1 1 63 63 LEU H H 1 8.104 0.004 . 1 . . . . 63 L H . 15703 1 181 . 1 1 63 63 LEU CA C 13 57.713 0.280 . 1 . . . . 63 L CA . 15703 1 182 . 1 1 63 63 LEU CB C 13 42.451 0.062 . 1 . . . . 63 L CB . 15703 1 183 . 1 1 63 63 LEU N N 15 119.283 0.056 . 1 . . . . 63 L N . 15703 1 184 . 1 1 64 64 LYS H H 1 8.273 0.003 . 1 . . . . 64 K H . 15703 1 185 . 1 1 64 64 LYS CA C 13 60.669 0.046 . 1 . . . . 64 K CA . 15703 1 186 . 1 1 64 64 LYS CB C 13 33.320 0.051 . 1 . . . . 64 K CB . 15703 1 187 . 1 1 64 64 LYS N N 15 117.143 0.154 . 1 . . . . 64 K N . 15703 1 188 . 1 1 65 65 ARG H H 1 7.020 0.003 . 1 . . . . 65 R H . 15703 1 189 . 1 1 65 65 ARG CA C 13 58.555 0.046 . 1 . . . . 65 R CA . 15703 1 190 . 1 1 65 65 ARG CB C 13 29.546 0.000 . 1 . . . . 65 R CB . 15703 1 191 . 1 1 65 65 ARG N N 15 116.418 0.073 . 1 . . . . 65 R N . 15703 1 192 . 1 1 66 66 TYR CA C 13 59.764 0.212 . 1 . . . . 66 Y CA . 15703 1 193 . 1 1 66 66 TYR CB C 13 43.629 0.000 . 1 . . . . 66 Y CB . 15703 1 194 . 1 1 67 67 ALA H H 1 8.308 0.007 . 1 . . . . 67 A H . 15703 1 195 . 1 1 67 67 ALA CA C 13 54.362 0.146 . 1 . . . . 67 A CA . 15703 1 196 . 1 1 67 67 ALA CB C 13 18.344 0.006 . 1 . . . . 67 A CB . 15703 1 197 . 1 1 67 67 ALA N N 15 119.358 0.090 . 1 . . . . 67 A N . 15703 1 198 . 1 1 68 68 GLY H H 1 6.904 0.003 . 1 . . . . 68 G H . 15703 1 199 . 1 1 68 68 GLY CA C 13 45.403 0.018 . 1 . . . . 68 G CA . 15703 1 200 . 1 1 68 68 GLY N N 15 101.470 0.073 . 1 . . . . 68 G N . 15703 1 201 . 1 1 69 69 ARG H H 1 8.331 0.004 . 1 . . . . 69 R H . 15703 1 202 . 1 1 69 69 ARG CA C 13 55.139 0.000 . 1 . . . . 69 R CA . 15703 1 203 . 1 1 69 69 ARG CB C 13 30.426 0.000 . 1 . . . . 69 R CB . 15703 1 204 . 1 1 69 69 ARG N N 15 120.829 0.234 . 1 . . . . 69 R N . 15703 1 205 . 1 1 71 71 GLU CA C 13 58.968 0.124 . 1 . . . . 71 E CA . 15703 1 206 . 1 1 71 71 GLU CB C 13 29.418 0.082 . 1 . . . . 71 E CB . 15703 1 207 . 1 1 72 72 HIS H H 1 9.285 0.005 . 1 . . . . 72 H H . 15703 1 208 . 1 1 72 72 HIS CA C 13 54.557 0.050 . 1 . . . . 72 H CA . 15703 1 209 . 1 1 72 72 HIS CB C 13 31.636 0.043 . 1 . . . . 72 H CB . 15703 1 210 . 1 1 72 72 HIS N N 15 120.107 0.053 . 1 . . . . 72 H N . 15703 1 211 . 1 1 73 73 TRP H H 1 9.974 0.007 . 1 . . . . 73 W H . 15703 1 212 . 1 1 73 73 TRP CA C 13 58.201 0.088 . 1 . . . . 73 W CA . 15703 1 213 . 1 1 73 73 TRP CB C 13 32.980 0.071 . 1 . . . . 73 W CB . 15703 1 214 . 1 1 73 73 TRP N N 15 124.489 0.070 . 1 . . . . 73 W N . 15703 1 215 . 1 1 74 74 VAL H H 1 8.813 0.003 . 1 . . . . 74 V H . 15703 1 216 . 1 1 74 74 VAL CA C 13 60.234 0.079 . 1 . . . . 74 V CA . 15703 1 217 . 1 1 74 74 VAL CB C 13 34.384 0.051 . 1 . . . . 74 V CB . 15703 1 218 . 1 1 74 74 VAL N N 15 110.353 0.050 . 1 . . . . 74 V N . 15703 1 219 . 1 1 75 75 GLY H H 1 9.608 0.016 . 1 . . . . 75 G H . 15703 1 220 . 1 1 75 75 GLY CA C 13 50.276 0.126 . 1 . . . . 75 G CA . 15703 1 221 . 1 1 75 75 GLY N N 15 108.429 0.093 . 1 . . . . 75 G N . 15703 1 222 . 1 1 76 76 LEU H H 1 7.611 0.003 . 1 . . . . 76 L H . 15703 1 223 . 1 1 76 76 LEU CA C 13 54.076 0.000 . 1 . . . . 76 L CA . 15703 1 224 . 1 1 76 76 LEU CB C 13 45.316 0.000 . 1 . . . . 76 L CB . 15703 1 225 . 1 1 76 76 LEU N N 15 124.033 0.048 . 1 . . . . 76 L N . 15703 1 226 . 1 1 77 77 LYS H H 1 7.996 0.000 . 1 . . . . 77 K H . 15703 1 227 . 1 1 77 77 LYS CA C 13 55.104 0.052 . 1 . . . . 77 K CA . 15703 1 228 . 1 1 77 77 LYS CB C 13 35.855 0.002 . 1 . . . . 77 K CB . 15703 1 229 . 1 1 77 77 LYS N N 15 122.134 0.000 . 1 . . . . 77 K N . 15703 1 230 . 1 1 78 78 LYS H H 1 8.626 0.004 . 1 . . . . 78 K H . 15703 1 231 . 1 1 78 78 LYS CA C 13 54.054 0.077 . 1 . . . . 78 K CA . 15703 1 232 . 1 1 78 78 LYS CB C 13 33.880 0.031 . 1 . . . . 78 K CB . 15703 1 233 . 1 1 78 78 LYS N N 15 125.468 0.029 . 1 . . . . 78 K N . 15703 1 234 . 1 1 79 79 GLU H H 1 7.755 0.002 . 1 . . . . 79 E H . 15703 1 235 . 1 1 79 79 GLU CA C 13 52.895 0.058 . 1 . . . . 79 E CA . 15703 1 236 . 1 1 79 79 GLU CB C 13 29.510 0.000 . 1 . . . . 79 E CB . 15703 1 237 . 1 1 79 79 GLU N N 15 122.604 0.048 . 1 . . . . 79 E N . 15703 1 238 . 1 1 82 82 HIS H H 1 8.081 0.000 . 1 . . . . 82 H H . 15703 1 239 . 1 1 82 82 HIS N N 15 119.289 0.000 . 1 . . . . 82 H N . 15703 1 240 . 1 1 83 83 PRO CA C 13 62.077 0.083 . 1 . . . . 83 P CA . 15703 1 241 . 1 1 83 83 PRO CB C 13 32.719 0.066 . 1 . . . . 83 P CB . 15703 1 242 . 1 1 84 84 TRP H H 1 7.668 0.006 . 1 . . . . 84 W H . 15703 1 243 . 1 1 84 84 TRP CA C 13 58.064 0.098 . 1 . . . . 84 W CA . 15703 1 244 . 1 1 84 84 TRP CB C 13 31.508 0.043 . 1 . . . . 84 W CB . 15703 1 245 . 1 1 84 84 TRP N N 15 118.551 0.023 . 1 . . . . 84 W N . 15703 1 246 . 1 1 85 85 LYS H H 1 8.633 0.002 . 1 . . . . 85 K H . 15703 1 247 . 1 1 85 85 LYS CA C 13 55.541 0.031 . 1 . . . . 85 K CA . 15703 1 248 . 1 1 85 85 LYS CB C 13 36.710 0.011 . 1 . . . . 85 K CB . 15703 1 249 . 1 1 85 85 LYS N N 15 121.190 0.016 . 1 . . . . 85 K N . 15703 1 250 . 1 1 86 86 TRP H H 1 8.940 0.002 . 1 . . . . 86 W H . 15703 1 251 . 1 1 86 86 TRP CA C 13 56.870 0.061 . 1 . . . . 86 W CA . 15703 1 252 . 1 1 86 86 TRP CB C 13 32.676 0.021 . 1 . . . . 86 W CB . 15703 1 253 . 1 1 86 86 TRP N N 15 122.208 0.034 . 1 . . . . 86 W N . 15703 1 254 . 1 1 87 87 SER H H 1 9.350 0.004 . 1 . . . . 87 S H . 15703 1 255 . 1 1 87 87 SER CA C 13 60.506 0.062 . 1 . . . . 87 S CA . 15703 1 256 . 1 1 87 87 SER CB C 13 62.770 0.015 . 1 . . . . 87 S CB . 15703 1 257 . 1 1 87 87 SER N N 15 118.545 0.028 . 1 . . . . 87 S N . 15703 1 258 . 1 1 88 88 ASN H H 1 7.383 0.003 . 1 . . . . 88 N H . 15703 1 259 . 1 1 88 88 ASN CA C 13 52.090 0.058 . 1 . . . . 88 N CA . 15703 1 260 . 1 1 88 88 ASN CB C 13 38.076 0.003 . 1 . . . . 88 N CB . 15703 1 261 . 1 1 88 88 ASN N N 15 117.154 0.036 . 1 . . . . 88 N N . 15703 1 262 . 1 1 89 89 GLY H H 1 8.506 0.003 . 1 . . . . 89 G H . 15703 1 263 . 1 1 89 89 GLY CA C 13 45.251 0.042 . 1 . . . . 89 G CA . 15703 1 264 . 1 1 89 89 GLY N N 15 108.435 0.044 . 1 . . . . 89 G N . 15703 1 265 . 1 1 90 90 LYS H H 1 7.639 0.002 . 1 . . . . 90 K H . 15703 1 266 . 1 1 90 90 LYS CA C 13 56.533 0.067 . 1 . . . . 90 K CA . 15703 1 267 . 1 1 90 90 LYS CB C 13 33.227 0.008 . 1 . . . . 90 K CB . 15703 1 268 . 1 1 90 90 LYS N N 15 121.101 0.034 . 1 . . . . 90 K N . 15703 1 269 . 1 1 91 91 GLU H H 1 8.876 0.002 . 1 . . . . 91 E H . 15703 1 270 . 1 1 91 91 GLU CA C 13 57.557 0.075 . 1 . . . . 91 E CA . 15703 1 271 . 1 1 91 91 GLU CB C 13 30.260 0.000 . 1 . . . . 91 E CB . 15703 1 272 . 1 1 91 91 GLU N N 15 122.804 0.024 . 1 . . . . 91 E N . 15703 1 273 . 1 1 92 92 PHE H H 1 8.387 0.003 . 1 . . . . 92 F H . 15703 1 274 . 1 1 92 92 PHE CA C 13 55.094 0.060 . 1 . . . . 92 F CA . 15703 1 275 . 1 1 92 92 PHE CB C 13 40.640 0.005 . 1 . . . . 92 F CB . 15703 1 276 . 1 1 92 92 PHE N N 15 124.066 0.058 . 1 . . . . 92 F N . 15703 1 277 . 1 1 93 93 ASN H H 1 8.558 0.003 . 1 . . . . 93 N H . 15703 1 278 . 1 1 93 93 ASN CA C 13 52.254 0.019 . 1 . . . . 93 N CA . 15703 1 279 . 1 1 93 93 ASN CB C 13 37.575 0.000 . 1 . . . . 93 N CB . 15703 1 280 . 1 1 93 93 ASN N N 15 127.100 0.062 . 1 . . . . 93 N N . 15703 1 281 . 1 1 94 94 ASN CA C 13 55.681 0.071 . 1 . . . . 94 N CA . 15703 1 282 . 1 1 94 94 ASN CB C 13 36.255 0.013 . 1 . . . . 94 N CB . 15703 1 283 . 1 1 95 95 TRP H H 1 6.784 0.002 . 1 . . . . 95 W H . 15703 1 284 . 1 1 95 95 TRP CA C 13 58.781 0.039 . 1 . . . . 95 W CA . 15703 1 285 . 1 1 95 95 TRP CB C 13 27.201 0.122 . 1 . . . . 95 W CB . 15703 1 286 . 1 1 95 95 TRP N N 15 114.526 0.027 . 1 . . . . 95 W N . 15703 1 287 . 1 1 96 96 PHE H H 1 6.291 0.004 . 1 . . . . 96 F H . 15703 1 288 . 1 1 96 96 PHE CA C 13 54.905 0.051 . 1 . . . . 96 F CA . 15703 1 289 . 1 1 96 96 PHE CB C 13 40.467 0.135 . 1 . . . . 96 F CB . 15703 1 290 . 1 1 96 96 PHE N N 15 114.138 0.063 . 1 . . . . 96 F N . 15703 1 291 . 1 1 97 97 ASN H H 1 8.447 0.003 . 1 . . . . 97 N H . 15703 1 292 . 1 1 97 97 ASN CA C 13 52.599 0.121 . 1 . . . . 97 N CA . 15703 1 293 . 1 1 97 97 ASN CB C 13 40.204 0.054 . 1 . . . . 97 N CB . 15703 1 294 . 1 1 97 97 ASN N N 15 117.758 0.032 . 1 . . . . 97 N N . 15703 1 295 . 1 1 98 98 VAL H H 1 8.116 0.002 . 1 . . . . 98 V H . 15703 1 296 . 1 1 98 98 VAL CA C 13 61.724 0.090 . 1 . . . . 98 V CA . 15703 1 297 . 1 1 98 98 VAL CB C 13 33.320 0.069 . 1 . . . . 98 V CB . 15703 1 298 . 1 1 98 98 VAL N N 15 123.590 0.031 . 1 . . . . 98 V N . 15703 1 299 . 1 1 99 99 THR H H 1 8.040 0.005 . 1 . . . . 99 T H . 15703 1 300 . 1 1 99 99 THR CA C 13 61.309 0.117 . 1 . . . . 99 T CA . 15703 1 301 . 1 1 99 99 THR CB C 13 70.174 0.045 . 1 . . . . 99 T CB . 15703 1 302 . 1 1 99 99 THR N N 15 118.523 0.040 . 1 . . . . 99 T N . 15703 1 303 . 1 1 100 100 GLY H H 1 8.507 0.003 . 1 . . . . 100 G H . 15703 1 304 . 1 1 100 100 GLY CA C 13 44.651 0.040 . 1 . . . . 100 G CA . 15703 1 305 . 1 1 100 100 GLY N N 15 106.758 0.033 . 1 . . . . 100 G N . 15703 1 306 . 1 1 101 101 SER H H 1 8.750 0.002 . 1 . . . . 101 S H . 15703 1 307 . 1 1 101 101 SER CA C 13 57.535 0.061 . 1 . . . . 101 S CA . 15703 1 308 . 1 1 101 101 SER CB C 13 64.220 0.034 . 1 . . . . 101 S CB . 15703 1 309 . 1 1 101 101 SER N N 15 113.366 0.019 . 1 . . . . 101 S N . 15703 1 310 . 1 1 102 102 ASP H H 1 7.948 0.003 . 1 . . . . 102 D H . 15703 1 311 . 1 1 102 102 ASP CA C 13 54.278 0.024 . 1 . . . . 102 D CA . 15703 1 312 . 1 1 102 102 ASP CB C 13 44.213 0.029 . 1 . . . . 102 D CB . 15703 1 313 . 1 1 102 102 ASP N N 15 123.448 0.043 . 1 . . . . 102 D N . 15703 1 314 . 1 1 103 103 LYS H H 1 8.687 0.008 . 1 . . . . 103 K H . 15703 1 315 . 1 1 103 103 LYS CA C 13 58.931 0.042 . 1 . . . . 103 K CA . 15703 1 316 . 1 1 103 103 LYS CB C 13 33.510 0.043 . 1 . . . . 103 K CB . 15703 1 317 . 1 1 103 103 LYS N N 15 114.982 0.067 . 1 . . . . 103 K N . 15703 1 318 . 1 1 104 104 CYS H H 1 7.359 0.005 . 1 . . . . 104 C H . 15703 1 319 . 1 1 104 104 CYS CA C 13 59.634 0.082 . 1 . . . . 104 C CA . 15703 1 320 . 1 1 104 104 CYS CB C 13 48.522 0.014 . 1 . . . . 104 C CB . 15703 1 321 . 1 1 104 104 CYS N N 15 113.474 0.011 . 1 . . . . 104 C N . 15703 1 322 . 1 1 105 105 VAL H H 1 7.506 0.004 . 1 . . . . 105 V H . 15703 1 323 . 1 1 105 105 VAL CA C 13 62.964 0.048 . 1 . . . . 105 V CA . 15703 1 324 . 1 1 105 105 VAL CB C 13 33.440 0.067 . 1 . . . . 105 V CB . 15703 1 325 . 1 1 105 105 VAL N N 15 122.712 0.046 . 1 . . . . 105 V N . 15703 1 326 . 1 1 106 106 PHE H H 1 8.642 0.004 . 1 . . . . 106 F H . 15703 1 327 . 1 1 106 106 PHE CA C 13 54.428 0.100 . 1 . . . . 106 F CA . 15703 1 328 . 1 1 106 106 PHE CB C 13 43.940 0.034 . 1 . . . . 106 F CB . 15703 1 329 . 1 1 106 106 PHE N N 15 123.162 0.049 . 1 . . . . 106 F N . 15703 1 330 . 1 1 107 107 LEU H H 1 9.301 0.007 . 1 . . . . 107 L H . 15703 1 331 . 1 1 107 107 LEU CA C 13 53.320 0.077 . 1 . . . . 107 L CA . 15703 1 332 . 1 1 107 107 LEU CB C 13 47.153 0.065 . 1 . . . . 107 L CB . 15703 1 333 . 1 1 107 107 LEU N N 15 116.853 0.070 . 1 . . . . 107 L N . 15703 1 334 . 1 1 108 108 LYS H H 1 8.670 0.006 . 1 . . . . 108 K H . 15703 1 335 . 1 1 108 108 LYS CA C 13 55.311 0.036 . 1 . . . . 108 K CA . 15703 1 336 . 1 1 108 108 LYS CB C 13 35.191 0.053 . 1 . . . . 108 K CB . 15703 1 337 . 1 1 108 108 LYS N N 15 119.037 0.116 . 1 . . . . 108 K N . 15703 1 338 . 1 1 109 109 ASN H H 1 8.962 0.006 . 1 . . . . 109 N H . 15703 1 339 . 1 1 109 109 ASN CA C 13 56.275 0.135 . 1 . . . . 109 N CA . 15703 1 340 . 1 1 109 109 ASN CB C 13 36.678 0.024 . 1 . . . . 109 N CB . 15703 1 341 . 1 1 109 109 ASN N N 15 117.839 0.121 . 1 . . . . 109 N N . 15703 1 342 . 1 1 110 110 THR H H 1 7.452 0.008 . 1 . . . . 110 T H . 15703 1 343 . 1 1 110 110 THR CA C 13 61.591 0.099 . 1 . . . . 110 T CA . 15703 1 344 . 1 1 110 110 THR CB C 13 70.016 0.046 . 1 . . . . 110 T CB . 15703 1 345 . 1 1 110 110 THR N N 15 105.620 0.095 . 1 . . . . 110 T N . 15703 1 346 . 1 1 111 111 GLU H H 1 7.376 0.004 . 1 . . . . 111 E H . 15703 1 347 . 1 1 111 111 GLU CA C 13 56.517 0.094 . 1 . . . . 111 E CA . 15703 1 348 . 1 1 111 111 GLU CB C 13 33.314 0.011 . 1 . . . . 111 E CB . 15703 1 349 . 1 1 111 111 GLU N N 15 119.995 0.047 . 1 . . . . 111 E N . 15703 1 350 . 1 1 112 112 VAL H H 1 7.755 0.003 . 1 . . . . 112 V H . 15703 1 351 . 1 1 112 112 VAL CA C 13 61.584 0.078 . 1 . . . . 112 V CA . 15703 1 352 . 1 1 112 112 VAL CB C 13 32.449 0.170 . 1 . . . . 112 V CB . 15703 1 353 . 1 1 112 112 VAL N N 15 121.493 0.077 . 1 . . . . 112 V N . 15703 1 354 . 1 1 113 113 SER H H 1 7.735 0.004 . 1 . . . . 113 S H . 15703 1 355 . 1 1 113 113 SER CA C 13 54.995 0.063 . 1 . . . . 113 S CA . 15703 1 356 . 1 1 113 113 SER CB C 13 64.100 0.042 . 1 . . . . 113 S CB . 15703 1 357 . 1 1 113 113 SER N N 15 120.037 0.051 . 1 . . . . 113 S N . 15703 1 358 . 1 1 114 114 SER H H 1 8.271 0.003 . 1 . . . . 114 S H . 15703 1 359 . 1 1 114 114 SER CA C 13 55.913 0.101 . 1 . . . . 114 S CA . 15703 1 360 . 1 1 114 114 SER CB C 13 67.854 0.013 . 1 . . . . 114 S CB . 15703 1 361 . 1 1 114 114 SER N N 15 112.288 0.033 . 1 . . . . 114 S N . 15703 1 362 . 1 1 115 115 MET H H 1 9.594 0.003 . 1 . . . . 115 M H . 15703 1 363 . 1 1 115 115 MET CA C 13 55.083 0.058 . 1 . . . . 115 M CA . 15703 1 364 . 1 1 115 115 MET CB C 13 37.119 0.008 . 1 . . . . 115 M CB . 15703 1 365 . 1 1 115 115 MET N N 15 121.886 0.023 . 1 . . . . 115 M N . 15703 1 366 . 1 1 116 116 GLU H H 1 8.578 0.003 . 1 . . . . 116 E H . 15703 1 367 . 1 1 116 116 GLU CA C 13 58.460 0.048 . 1 . . . . 116 E CA . 15703 1 368 . 1 1 116 116 GLU CB C 13 29.503 0.064 . 1 . . . . 116 E CB . 15703 1 369 . 1 1 116 116 GLU N N 15 123.466 0.039 . 1 . . . . 116 E N . 15703 1 370 . 1 1 117 117 CYS H H 1 8.252 0.005 . 1 . . . . 117 C H . 15703 1 371 . 1 1 117 117 CYS CA C 13 58.047 0.071 . 1 . . . . 117 C CA . 15703 1 372 . 1 1 117 117 CYS CB C 13 46.275 0.021 . 1 . . . . 117 C CB . 15703 1 373 . 1 1 117 117 CYS N N 15 121.337 0.097 . 1 . . . . 117 C N . 15703 1 374 . 1 1 118 118 GLU H H 1 8.734 0.002 . 1 . . . . 118 E H . 15703 1 375 . 1 1 118 118 GLU CA C 13 57.573 0.064 . 1 . . . . 118 E CA . 15703 1 376 . 1 1 118 118 GLU CB C 13 29.135 0.047 . 1 . . . . 118 E CB . 15703 1 377 . 1 1 118 118 GLU N N 15 117.192 0.026 . 1 . . . . 118 E N . 15703 1 378 . 1 1 119 119 LYS H H 1 7.891 0.009 . 1 . . . . 119 K H . 15703 1 379 . 1 1 119 119 LYS CA C 13 56.661 0.114 . 1 . . . . 119 K CA . 15703 1 380 . 1 1 119 119 LYS CB C 13 32.032 0.031 . 1 . . . . 119 K CB . 15703 1 381 . 1 1 119 119 LYS N N 15 121.044 0.098 . 1 . . . . 119 K N . 15703 1 382 . 1 1 120 120 ASN H H 1 8.318 0.002 . 1 . . . . 120 N H . 15703 1 383 . 1 1 120 120 ASN CA C 13 52.156 0.055 . 1 . . . . 120 N CA . 15703 1 384 . 1 1 120 120 ASN CB C 13 38.385 0.006 . 1 . . . . 120 N CB . 15703 1 385 . 1 1 120 120 ASN N N 15 118.140 0.093 . 1 . . . . 120 N N . 15703 1 386 . 1 1 121 121 LEU H H 1 8.244 0.004 . 1 . . . . 121 L H . 15703 1 387 . 1 1 121 121 LEU CA C 13 53.537 0.071 . 1 . . . . 121 L CA . 15703 1 388 . 1 1 121 121 LEU CB C 13 44.993 0.030 . 1 . . . . 121 L CB . 15703 1 389 . 1 1 121 121 LEU N N 15 126.395 0.118 . 1 . . . . 121 L N . 15703 1 390 . 1 1 122 122 TYR H H 1 6.514 0.005 . 1 . . . . 122 Y H . 15703 1 391 . 1 1 122 122 TYR CA C 13 59.009 0.047 . 1 . . . . 122 Y CA . 15703 1 392 . 1 1 122 122 TYR CB C 13 39.569 0.037 . 1 . . . . 122 Y CB . 15703 1 393 . 1 1 122 122 TYR N N 15 117.556 0.057 . 1 . . . . 122 Y N . 15703 1 394 . 1 1 123 123 TRP H H 1 8.763 0.007 . 1 . . . . 123 W H . 15703 1 395 . 1 1 123 123 TRP CA C 13 57.640 0.073 . 1 . . . . 123 W CA . 15703 1 396 . 1 1 123 123 TRP CB C 13 34.225 0.057 . 1 . . . . 123 W CB . 15703 1 397 . 1 1 123 123 TRP N N 15 115.621 0.076 . 1 . . . . 123 W N . 15703 1 398 . 1 1 124 124 ILE H H 1 7.820 0.003 . 1 . . . . 124 I H . 15703 1 399 . 1 1 124 124 ILE CA C 13 59.578 0.094 . 1 . . . . 124 I CA . 15703 1 400 . 1 1 124 124 ILE CB C 13 41.923 0.050 . 1 . . . . 124 I CB . 15703 1 401 . 1 1 124 124 ILE N N 15 117.734 0.081 . 1 . . . . 124 I N . 15703 1 402 . 1 1 125 125 CYS H H 1 9.727 0.008 . 1 . . . . 125 C H . 15703 1 403 . 1 1 125 125 CYS CA C 13 52.168 0.055 . 1 . . . . 125 C CA . 15703 1 404 . 1 1 125 125 CYS CB C 13 41.052 0.068 . 1 . . . . 125 C CB . 15703 1 405 . 1 1 125 125 CYS N N 15 123.127 0.083 . 1 . . . . 125 C N . 15703 1 406 . 1 1 126 126 ASN H H 1 9.764 0.006 . 1 . . . . 126 N H . 15703 1 407 . 1 1 126 126 ASN CA C 13 52.945 0.059 . 1 . . . . 126 N CA . 15703 1 408 . 1 1 126 126 ASN CB C 13 41.703 0.000 . 1 . . . . 126 N CB . 15703 1 409 . 1 1 126 126 ASN N N 15 115.796 0.022 . 1 . . . . 126 N N . 15703 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 15703 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 8 ssNOE . . . 15703 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 THR N N 15 . 1 1 4 4 THR H H 1 -2.89825 0.83977 . . . . . . . . . . 15703 1 2 . 1 1 5 5 PHE N N 15 . 1 1 5 5 PHE H H 1 -1.69568 0.05875 . . . . . . . . . . 15703 1 3 . 1 1 6 6 SER N N 15 . 1 1 6 6 SER H H 1 0.46320 0.05429 . . . . . . . . . . 15703 1 4 . 1 1 7 7 MET N N 15 . 1 1 7 7 MET H H 1 -0.43109 0.05574 . . . . . . . . . . 15703 1 5 . 1 1 9 9 SER N N 15 . 1 1 9 9 SER H H 1 -0.14744 0.06820 . . . . . . . . . . 15703 1 6 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 -0.08656 0.02002 . . . . . . . . . . 15703 1 7 . 1 1 12 12 HIS N N 15 . 1 1 12 12 HIS H H 1 0.15925 0.06826 . . . . . . . . . . 15703 1 8 . 1 1 13 13 VAL N N 15 . 1 1 13 13 VAL H H 1 0.27623 0.04099 . . . . . . . . . . 15703 1 9 . 1 1 14 14 SER N N 15 . 1 1 14 14 SER H H 1 0.35589 0.03865 . . . . . . . . . . 15703 1 10 . 1 1 15 15 SER N N 15 . 1 1 15 15 SER H H 1 0.58364 0.17601 . . . . . . . . . . 15703 1 11 . 1 1 16 16 CYS N N 15 . 1 1 16 16 CYS H H 1 0.78631 0.13752 . . . . . . . . . . 15703 1 12 . 1 1 17 17 SER N N 15 . 1 1 17 17 SER H H 1 0.72391 0.15778 . . . . . . . . . . 15703 1 13 . 1 1 23 23 TYR N N 15 . 1 1 23 23 TYR H H 1 0.81970 0.09592 . . . . . . . . . . 15703 1 14 . 1 1 30 30 ILE N N 15 . 1 1 30 30 ILE H H 1 0.65313 0.26203 . . . . . . . . . . 15703 1 15 . 1 1 32 32 THR N N 15 . 1 1 32 32 THR H H 1 0.72847 0.07090 . . . . . . . . . . 15703 1 16 . 1 1 33 33 VAL N N 15 . 1 1 33 33 VAL H H 1 0.78185 0.05385 . . . . . . . . . . 15703 1 17 . 1 1 34 34 LYS N N 15 . 1 1 34 34 LYS H H 1 0.71340 0.04728 . . . . . . . . . . 15703 1 18 . 1 1 35 35 ARG N N 15 . 1 1 35 35 ARG H H 1 0.76922 0.06818 . . . . . . . . . . 15703 1 19 . 1 1 38 38 THR N N 15 . 1 1 38 38 THR H H 1 0.78101 0.04576 . . . . . . . . . . 15703 1 20 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 0.82028 0.04588 . . . . . . . . . . 15703 1 21 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.82413 0.04619 . . . . . . . . . . 15703 1 22 . 1 1 41 41 GLN N N 15 . 1 1 41 41 GLN H H 1 0.77867 0.03817 . . . . . . . . . . 15703 1 23 . 1 1 43 43 ALA N N 15 . 1 1 43 43 ALA H H 1 0.80913 0.04105 . . . . . . . . . . 15703 1 24 . 1 1 44 44 CYS N N 15 . 1 1 44 44 CYS H H 1 0.82427 0.04517 . . . . . . . . . . 15703 1 25 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.82440 0.03999 . . . . . . . . . . 15703 1 26 . 1 1 46 46 GLU N N 15 . 1 1 46 46 GLU H H 1 0.79220 0.04768 . . . . . . . . . . 15703 1 27 . 1 1 47 47 HIS N N 15 . 1 1 47 47 HIS H H 1 0.76132 0.04193 . . . . . . . . . . 15703 1 28 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.80026 0.04975 . . . . . . . . . . 15703 1 29 . 1 1 50 50 THR N N 15 . 1 1 50 50 THR H H 1 0.80152 0.13954 . . . . . . . . . . 15703 1 30 . 1 1 52 52 ALA N N 15 . 1 1 52 52 ALA H H 1 0.82840 0.07356 . . . . . . . . . . 15703 1 31 . 1 1 55 55 ASP N N 15 . 1 1 55 55 ASP H H 1 0.74700 0.14263 . . . . . . . . . . 15703 1 32 . 1 1 56 56 SER N N 15 . 1 1 56 56 SER H H 1 0.72388 0.06678 . . . . . . . . . . 15703 1 33 . 1 1 58 58 LYS N N 15 . 1 1 58 58 LYS H H 1 0.76214 0.03519 . . . . . . . . . . 15703 1 34 . 1 1 61 61 ASN N N 15 . 1 1 61 61 ASN H H 1 0.80234 0.07099 . . . . . . . . . . 15703 1 35 . 1 1 62 62 PHE N N 15 . 1 1 62 62 PHE H H 1 0.83846 0.04847 . . . . . . . . . . 15703 1 36 . 1 1 64 64 LYS N N 15 . 1 1 64 64 LYS H H 1 0.83136 0.07410 . . . . . . . . . . 15703 1 37 . 1 1 65 65 ARG N N 15 . 1 1 65 65 ARG H H 1 0.81341 0.05312 . . . . . . . . . . 15703 1 38 . 1 1 68 68 GLY N N 15 . 1 1 68 68 GLY H H 1 0.75542 0.06560 . . . . . . . . . . 15703 1 39 . 1 1 72 72 HIS N N 15 . 1 1 72 72 HIS H H 1 0.92966 0.14258 . . . . . . . . . . 15703 1 40 . 1 1 73 73 TRP N N 15 . 1 1 73 73 TRP H H 1 0.80540 0.10734 . . . . . . . . . . 15703 1 41 . 1 1 74 74 VAL N N 15 . 1 1 74 74 VAL H H 1 0.80884 0.06253 . . . . . . . . . . 15703 1 42 . 1 1 75 75 GLY N N 15 . 1 1 75 75 GLY H H 1 0.83311 0.16502 . . . . . . . . . . 15703 1 43 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.76673 0.06104 . . . . . . . . . . 15703 1 44 . 1 1 78 78 LYS N N 15 . 1 1 78 78 LYS H H 1 0.74537 0.06592 . . . . . . . . . . 15703 1 45 . 1 1 79 79 GLU N N 15 . 1 1 79 79 GLU H H 1 0.60158 0.04837 . . . . . . . . . . 15703 1 46 . 1 1 82 82 HIS N N 15 . 1 1 82 82 HIS H H 1 0.69939 0.01680 . . . . . . . . . . 15703 1 47 . 1 1 85 85 LYS N N 15 . 1 1 85 85 LYS H H 1 0.72897 0.03961 . . . . . . . . . . 15703 1 48 . 1 1 87 87 SER N N 15 . 1 1 87 87 SER H H 1 0.78946 0.06958 . . . . . . . . . . 15703 1 49 . 1 1 88 88 ASN N N 15 . 1 1 88 88 ASN H H 1 0.77056 0.04000 . . . . . . . . . . 15703 1 50 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.73806 0.03572 . . . . . . . . . . 15703 1 51 . 1 1 90 90 LYS N N 15 . 1 1 90 90 LYS H H 1 0.72268 0.02908 . . . . . . . . . . 15703 1 52 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.58481 0.02744 . . . . . . . . . . 15703 1 53 . 1 1 92 92 PHE N N 15 . 1 1 92 92 PHE H H 1 0.45908 0.04423 . . . . . . . . . . 15703 1 54 . 1 1 93 93 ASN N N 15 . 1 1 93 93 ASN H H 1 0.66350 0.04188 . . . . . . . . . . 15703 1 55 . 1 1 95 95 TRP N N 15 . 1 1 95 95 TRP H H 1 0.83712 0.04209 . . . . . . . . . . 15703 1 56 . 1 1 96 96 PHE N N 15 . 1 1 96 96 PHE H H 1 0.78808 0.02948 . . . . . . . . . . 15703 1 57 . 1 1 97 97 ASN N N 15 . 1 1 97 97 ASN H H 1 0.75657 0.03722 . . . . . . . . . . 15703 1 58 . 1 1 98 98 VAL N N 15 . 1 1 98 98 VAL H H 1 0.61547 0.03184 . . . . . . . . . . 15703 1 59 . 1 1 99 99 THR N N 15 . 1 1 99 99 THR H H 1 0.75040 0.02996 . . . . . . . . . . 15703 1 60 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.65838 0.03592 . . . . . . . . . . 15703 1 61 . 1 1 101 101 SER N N 15 . 1 1 101 101 SER H H 1 0.63184 0.03638 . . . . . . . . . . 15703 1 62 . 1 1 102 102 ASP N N 15 . 1 1 102 102 ASP H H 1 0.70961 0.03963 . . . . . . . . . . 15703 1 63 . 1 1 103 103 LYS N N 15 . 1 1 103 103 LYS H H 1 0.90330 0.18444 . . . . . . . . . . 15703 1 64 . 1 1 104 104 CYS N N 15 . 1 1 104 104 CYS H H 1 0.76929 0.05383 . . . . . . . . . . 15703 1 65 . 1 1 105 105 VAL N N 15 . 1 1 105 105 VAL H H 1 0.80327 0.06687 . . . . . . . . . . 15703 1 66 . 1 1 106 106 PHE N N 15 . 1 1 106 106 PHE H H 1 0.78587 0.04943 . . . . . . . . . . 15703 1 67 . 1 1 107 107 LEU N N 15 . 1 1 107 107 LEU H H 1 0.80356 0.12094 . . . . . . . . . . 15703 1 68 . 1 1 110 110 THR N N 15 . 1 1 110 110 THR H H 1 0.72478 0.07917 . . . . . . . . . . 15703 1 69 . 1 1 111 111 GLU N N 15 . 1 1 111 111 GLU H H 1 0.67100 0.05664 . . . . . . . . . . 15703 1 70 . 1 1 112 112 VAL N N 15 . 1 1 112 112 VAL H H 1 0.61335 0.05400 . . . . . . . . . . 15703 1 71 . 1 1 113 113 SER N N 15 . 1 1 113 113 SER H H 1 0.75238 0.05396 . . . . . . . . . . 15703 1 72 . 1 1 114 114 SER N N 15 . 1 1 114 114 SER H H 1 0.72201 0.03467 . . . . . . . . . . 15703 1 73 . 1 1 115 115 MET N N 15 . 1 1 115 115 MET H H 1 0.82107 0.05679 . . . . . . . . . . 15703 1 74 . 1 1 116 116 GLU N N 15 . 1 1 116 116 GLU H H 1 0.71494 0.05007 . . . . . . . . . . 15703 1 75 . 1 1 117 117 CYS N N 15 . 1 1 117 117 CYS H H 1 0.73750 0.03973 . . . . . . . . . . 15703 1 76 . 1 1 118 118 GLU N N 15 . 1 1 118 118 GLU H H 1 0.75433 0.03151 . . . . . . . . . . 15703 1 77 . 1 1 120 120 ASN N N 15 . 1 1 120 120 ASN H H 1 0.78724 0.04963 . . . . . . . . . . 15703 1 78 . 1 1 121 121 LEU N N 15 . 1 1 121 121 LEU H H 1 0.80273 0.08282 . . . . . . . . . . 15703 1 79 . 1 1 122 122 TYR N N 15 . 1 1 122 122 TYR H H 1 0.73122 0.11996 . . . . . . . . . . 15703 1 80 . 1 1 123 123 TRP N N 15 . 1 1 123 123 TRP H H 1 0.75283 0.07191 . . . . . . . . . . 15703 1 81 . 1 1 124 124 ILE N N 15 . 1 1 124 124 ILE H H 1 0.86275 0.09035 . . . . . . . . . . 15703 1 82 . 1 1 125 125 CYS N N 15 . 1 1 125 125 CYS H H 1 0.82581 0.11007 . . . . . . . . . . 15703 1 83 . 1 1 126 126 ASN N N 15 . 1 1 126 126 ASN H H 1 0.77604 0.06571 . . . . . . . . . . 15703 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 15703 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 6 T1 . . . 15703 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 4 4 THR N N 15 0.96812 0.07241 . . . . . 15703 1 2 . 1 1 5 5 PHE N N 15 0.42407 0.00489 . . . . . 15703 1 3 . 1 1 6 6 SER N N 15 1.36413 0.03639 . . . . . 15703 1 4 . 1 1 7 7 MET N N 15 1.30974 0.01733 . . . . . 15703 1 5 . 1 1 9 9 SER N N 15 1.56673 0.03677 . . . . . 15703 1 6 . 1 1 11 11 SER N N 15 1.55257 0.01242 . . . . . 15703 1 7 . 1 1 12 12 HIS N N 15 1.42688 0.05820 . . . . . 15703 1 8 . 1 1 13 13 VAL N N 15 1.45259 0.02293 . . . . . 15703 1 9 . 1 1 14 14 SER N N 15 1.44950 0.02380 . . . . . 15703 1 10 . 1 1 15 15 SER N N 15 1.21604 0.09828 . . . . . 15703 1 11 . 1 1 16 16 CYS N N 15 0.94135 0.05191 . . . . . 15703 1 12 . 1 1 17 17 SER N N 15 0.94439 0.06341 . . . . . 15703 1 13 . 1 1 23 23 TYR N N 15 0.86881 0.04313 . . . . . 15703 1 14 . 1 1 30 30 ILE N N 15 1.01247 0.14004 . . . . . 15703 1 15 . 1 1 32 32 THR N N 15 1.02781 0.03598 . . . . . 15703 1 16 . 1 1 33 33 VAL N N 15 0.96364 0.02115 . . . . . 15703 1 17 . 1 1 34 34 LYS N N 15 0.99027 0.01884 . . . . . 15703 1 18 . 1 1 35 35 ARG N N 15 0.95021 0.03070 . . . . . 15703 1 19 . 1 1 38 38 THR N N 15 0.92306 0.01934 . . . . . 15703 1 20 . 1 1 39 39 SER N N 15 0.99823 0.01870 . . . . . 15703 1 21 . 1 1 40 40 ALA N N 15 0.98535 0.01802 . . . . . 15703 1 22 . 1 1 41 41 GLN N N 15 0.91696 0.01744 . . . . . 15703 1 23 . 1 1 43 43 ALA N N 15 0.97444 0.01383 . . . . . 15703 1 24 . 1 1 44 44 CYS N N 15 0.89001 0.01775 . . . . . 15703 1 25 . 1 1 45 45 SER N N 15 1.01649 0.01595 . . . . . 15703 1 26 . 1 1 46 46 GLU N N 15 1.01676 0.01681 . . . . . 15703 1 27 . 1 1 47 47 HIS N N 15 0.88077 0.01537 . . . . . 15703 1 28 . 1 1 48 48 GLY N N 15 0.93191 0.01967 . . . . . 15703 1 29 . 1 1 50 50 THR N N 15 0.86556 0.05332 . . . . . 15703 1 30 . 1 1 52 52 ALA N N 15 0.92265 0.02859 . . . . . 15703 1 31 . 1 1 55 55 ASP N N 15 0.83776 0.07995 . . . . . 15703 1 32 . 1 1 56 56 SER N N 15 0.92754 0.03092 . . . . . 15703 1 33 . 1 1 58 58 LYS N N 15 0.99247 0.01581 . . . . . 15703 1 34 . 1 1 61 61 ASN N N 15 0.95393 0.03145 . . . . . 15703 1 35 . 1 1 62 62 PHE N N 15 0.96496 0.01843 . . . . . 15703 1 36 . 1 1 64 64 LYS N N 15 1.00025 0.02928 . . . . . 15703 1 37 . 1 1 65 65 ARG N N 15 0.97709 0.01968 . . . . . 15703 1 38 . 1 1 68 68 GLY N N 15 0.99752 0.02999 . . . . . 15703 1 39 . 1 1 72 72 HIS N N 15 0.96697 0.05922 . . . . . 15703 1 40 . 1 1 73 73 TRP N N 15 0.91622 0.04896 . . . . . 15703 1 41 . 1 1 74 74 VAL N N 15 0.87063 0.02492 . . . . . 15703 1 42 . 1 1 75 75 GLY N N 15 0.80987 0.08804 . . . . . 15703 1 43 . 1 1 76 76 LEU N N 15 0.88475 0.02230 . . . . . 15703 1 44 . 1 1 78 78 LYS N N 15 0.94346 0.03018 . . . . . 15703 1 45 . 1 1 79 79 GLU N N 15 1.02157 0.02009 . . . . . 15703 1 46 . 1 1 82 82 HIS N N 15 0.98700 0.00755 . . . . . 15703 1 47 . 1 1 85 85 LYS N N 15 0.97092 0.01522 . . . . . 15703 1 48 . 1 1 87 87 SER N N 15 0.91939 0.03017 . . . . . 15703 1 49 . 1 1 88 88 ASN N N 15 0.98565 0.01658 . . . . . 15703 1 50 . 1 1 89 89 GLY N N 15 0.92446 0.01425 . . . . . 15703 1 51 . 1 1 90 90 LYS N N 15 0.89057 0.00942 . . . . . 15703 1 52 . 1 1 91 91 GLU N N 15 0.96938 0.00892 . . . . . 15703 1 53 . 1 1 92 92 PHE N N 15 0.92545 0.02044 . . . . . 15703 1 54 . 1 1 93 93 ASN N N 15 0.90707 0.02211 . . . . . 15703 1 55 . 1 1 95 95 TRP N N 15 0.96987 0.01732 . . . . . 15703 1 56 . 1 1 96 96 PHE N N 15 0.92349 0.01107 . . . . . 15703 1 57 . 1 1 97 97 ASN N N 15 0.84068 0.01421 . . . . . 15703 1 58 . 1 1 98 98 VAL N N 15 0.77474 0.01078 . . . . . 15703 1 59 . 1 1 99 99 THR N N 15 0.91378 0.01301 . . . . . 15703 1 60 . 1 1 100 100 GLY N N 15 0.98534 0.01772 . . . . . 15703 1 61 . 1 1 101 101 SER N N 15 0.92291 0.01542 . . . . . 15703 1 62 . 1 1 102 102 ASP N N 15 0.84699 0.01512 . . . . . 15703 1 63 . 1 1 103 103 LYS N N 15 0.87974 0.08496 . . . . . 15703 1 64 . 1 1 104 104 CYS N N 15 0.93398 0.02255 . . . . . 15703 1 65 . 1 1 105 105 VAL N N 15 0.91276 0.02653 . . . . . 15703 1 66 . 1 1 106 106 PHE N N 15 0.95593 0.02461 . . . . . 15703 1 67 . 1 1 107 107 LEU N N 15 1.00039 0.05434 . . . . . 15703 1 68 . 1 1 110 110 THR N N 15 1.01937 0.03957 . . . . . 15703 1 69 . 1 1 111 111 GLU N N 15 0.93328 0.02191 . . . . . 15703 1 70 . 1 1 112 112 VAL N N 15 0.94043 0.02100 . . . . . 15703 1 71 . 1 1 113 113 SER N N 15 0.97770 0.02371 . . . . . 15703 1 72 . 1 1 114 114 SER N N 15 0.97062 0.01429 . . . . . 15703 1 73 . 1 1 115 115 MET N N 15 1.01712 0.02335 . . . . . 15703 1 74 . 1 1 116 116 GLU N N 15 0.92425 0.02116 . . . . . 15703 1 75 . 1 1 117 117 CYS N N 15 0.84949 0.01473 . . . . . 15703 1 76 . 1 1 118 118 GLU N N 15 0.91913 0.01157 . . . . . 15703 1 77 . 1 1 120 120 ASN N N 15 0.90795 0.01831 . . . . . 15703 1 78 . 1 1 121 121 LEU N N 15 0.84870 0.03780 . . . . . 15703 1 79 . 1 1 122 122 TYR N N 15 0.92865 0.06046 . . . . . 15703 1 80 . 1 1 123 123 TRP N N 15 0.90261 0.03371 . . . . . 15703 1 81 . 1 1 124 124 ILE N N 15 0.88974 0.03622 . . . . . 15703 1 82 . 1 1 125 125 CYS N N 15 0.81442 0.05466 . . . . . 15703 1 83 . 1 1 126 126 ASN N N 15 0.80879 0.03065 . . . . . 15703 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 15703 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 7 T2 . . . 15703 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 4 4 THR N N 15 2.51775 0.32436 . . . . . . . 15703 1 2 . 1 1 5 5 PHE N N 15 0.89464 0.03078 . . . . . . . 15703 1 3 . 1 1 6 6 SER N N 15 14.20858 0.85190 . . . . . . . 15703 1 4 . 1 1 7 7 MET N N 15 3.87734 0.10996 . . . . . . . 15703 1 5 . 1 1 9 9 SER N N 15 5.07397 0.22852 . . . . . . . 15703 1 6 . 1 1 11 11 SER N N 15 5.63479 0.08275 . . . . . . . 15703 1 7 . 1 1 12 12 HIS N N 15 7.96052 0.64408 . . . . . . . 15703 1 8 . 1 1 13 13 VAL N N 15 8.73288 0.28980 . . . . . . . 15703 1 9 . 1 1 14 14 SER N N 15 12.52560 0.50706 . . . . . . . 15703 1 10 . 1 1 15 15 SER N N 15 14.39569 3.20461 . . . . . . . 15703 1 11 . 1 1 16 16 CYS N N 15 18.83893 3.03966 . . . . . . . 15703 1 12 . 1 1 17 17 SER N N 15 16.24188 3.78374 . . . . . . . 15703 1 13 . 1 1 23 23 TYR N N 15 19.03977 2.92120 . . . . . . . 15703 1 14 . 1 1 30 30 ILE N N 15 17.84827 8.72504 . . . . . . . 15703 1 15 . 1 1 32 32 THR N N 15 16.81839 1.57642 . . . . . . . 15703 1 16 . 1 1 33 33 VAL N N 15 17.92645 1.21175 . . . . . . . 15703 1 17 . 1 1 34 34 LYS N N 15 16.32116 0.91514 . . . . . . . 15703 1 18 . 1 1 35 35 ARG N N 15 17.21805 1.66044 . . . . . . . 15703 1 19 . 1 1 37 37 TRP N N 15 6.69937 0.13520 . . . . . . . 15703 1 20 . 1 1 38 38 THR N N 15 18.39994 1.14461 . . . . . . . 15703 1 21 . 1 1 39 39 SER N N 15 20.38333 1.14618 . . . . . . . 15703 1 22 . 1 1 40 40 ALA N N 15 19.92301 1.21734 . . . . . . . 15703 1 23 . 1 1 41 41 GLN N N 15 19.67171 1.02209 . . . . . . . 15703 1 24 . 1 1 43 43 ALA N N 15 18.71607 0.78301 . . . . . . . 15703 1 25 . 1 1 44 44 CYS N N 15 18.52845 1.08880 . . . . . . . 15703 1 26 . 1 1 45 45 SER N N 15 20.85543 1.15175 . . . . . . . 15703 1 27 . 1 1 46 46 GLU N N 15 18.79955 0.95171 . . . . . . . 15703 1 28 . 1 1 47 47 HIS N N 15 18.50056 0.90276 . . . . . . . 15703 1 29 . 1 1 48 48 GLY N N 15 19.34182 1.20082 . . . . . . . 15703 1 30 . 1 1 50 50 THR N N 15 25.41649 5.77308 . . . . . . . 15703 1 31 . 1 1 52 52 ALA N N 15 20.85593 1.84818 . . . . . . . 15703 1 32 . 1 1 55 55 ASP N N 15 23.69390 6.36323 . . . . . . . 15703 1 33 . 1 1 56 56 SER N N 15 16.54964 1.50547 . . . . . . . 15703 1 34 . 1 1 58 58 LYS N N 15 19.90172 0.90448 . . . . . . . 15703 1 35 . 1 1 61 61 ASN N N 15 18.87816 1.93216 . . . . . . . 15703 1 36 . 1 1 62 62 PHE N N 15 21.05250 1.34607 . . . . . . . 15703 1 37 . 1 1 64 64 LYS N N 15 18.70205 1.55930 . . . . . . . 15703 1 38 . 1 1 65 65 ARG N N 15 19.16270 1.25125 . . . . . . . 15703 1 39 . 1 1 68 68 GLY N N 15 17.07941 1.38679 . . . . . . . 15703 1 40 . 1 1 72 72 HIS N N 15 18.22731 3.88982 . . . . . . . 15703 1 41 . 1 1 73 73 TRP N N 15 18.90778 3.31628 . . . . . . . 15703 1 42 . 1 1 74 74 VAL N N 15 20.65001 1.79318 . . . . . . . 15703 1 43 . 1 1 75 75 GLY N N 15 23.44627 9.47290 . . . . . . . 15703 1 44 . 1 1 76 76 LEU N N 15 18.87972 1.42719 . . . . . . . 15703 1 45 . 1 1 78 78 LYS N N 15 19.46310 1.93149 . . . . . . . 15703 1 46 . 1 1 79 79 GLU N N 15 21.25737 1.41047 . . . . . . . 15703 1 47 . 1 1 82 82 HIS N N 15 17.85301 0.36037 . . . . . . . 15703 1 48 . 1 1 85 85 LYS N N 15 16.88728 0.82265 . . . . . . . 15703 1 49 . 1 1 87 87 SER N N 15 18.80019 1.93940 . . . . . . . 15703 1 50 . 1 1 88 88 ASN N N 15 18.24997 0.94922 . . . . . . . 15703 1 51 . 1 1 89 89 GLY N N 15 17.78865 0.82695 . . . . . . . 15703 1 52 . 1 1 90 90 LYS N N 15 19.75798 0.61136 . . . . . . . 15703 1 53 . 1 1 91 91 GLU N N 15 15.96690 0.41146 . . . . . . . 15703 1 54 . 1 1 92 92 PHE N N 15 16.76745 0.97491 . . . . . . . 15703 1 55 . 1 1 93 93 ASN N N 15 20.79213 1.44615 . . . . . . . 15703 1 56 . 1 1 95 95 TRP N N 15 19.02015 1.04101 . . . . . . . 15703 1 57 . 1 1 96 96 PHE N N 15 21.43484 0.88174 . . . . . . . 15703 1 58 . 1 1 97 97 ASN N N 15 18.97982 0.88939 . . . . . . . 15703 1 59 . 1 1 98 98 VAL N N 15 16.62992 0.63384 . . . . . . . 15703 1 60 . 1 1 99 99 THR N N 15 20.75740 0.90413 . . . . . . . 15703 1 61 . 1 1 100 100 GLY N N 15 21.00002 1.12381 . . . . . . . 15703 1 62 . 1 1 101 101 SER N N 15 15.60569 0.66092 . . . . . . . 15703 1 63 . 1 1 102 102 ASP N N 15 18.32704 0.94057 . . . . . . . 15703 1 64 . 1 1 103 103 LYS N N 15 18.83031 6.04233 . . . . . . . 15703 1 65 . 1 1 104 104 CYS N N 15 22.65997 1.82494 . . . . . . . 15703 1 66 . 1 1 105 105 VAL N N 15 17.87420 1.69199 . . . . . . . 15703 1 67 . 1 1 106 106 PHE N N 15 18.31450 1.35241 . . . . . . . 15703 1 68 . 1 1 107 107 LEU N N 15 19.92487 4.21093 . . . . . . . 15703 1 69 . 1 1 110 110 THR N N 15 16.48943 1.96635 . . . . . . . 15703 1 70 . 1 1 111 111 GLU N N 15 18.31785 1.36770 . . . . . . . 15703 1 71 . 1 1 112 112 VAL N N 15 17.29182 1.02939 . . . . . . . 15703 1 72 . 1 1 113 113 SER N N 15 18.86317 1.27019 . . . . . . . 15703 1 73 . 1 1 114 114 SER N N 15 18.44803 0.77253 . . . . . . . 15703 1 74 . 1 1 115 115 MET N N 15 19.41449 1.57980 . . . . . . . 15703 1 75 . 1 1 116 116 GLU N N 15 17.79432 1.27326 . . . . . . . 15703 1 76 . 1 1 117 117 CYS N N 15 18.54154 0.92654 . . . . . . . 15703 1 77 . 1 1 118 118 GLU N N 15 19.60836 0.74593 . . . . . . . 15703 1 78 . 1 1 120 120 ASN N N 15 17.28365 1.03296 . . . . . . . 15703 1 79 . 1 1 121 121 LEU N N 15 17.31241 1.90582 . . . . . . . 15703 1 80 . 1 1 122 122 TYR N N 15 18.43128 3.62294 . . . . . . . 15703 1 81 . 1 1 123 123 TRP N N 15 19.32486 2.18740 . . . . . . . 15703 1 82 . 1 1 124 124 ILE N N 15 20.33339 2.45817 . . . . . . . 15703 1 83 . 1 1 125 125 CYS N N 15 23.31710 5.46944 . . . . . . . 15703 1 84 . 1 1 126 126 ASN N N 15 22.36044 2.73691 . . . . . . . 15703 1 stop_ save_