data_5882 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5882 _Entry.Title ; Backbone chemical shift assignments for the C-terminal globular domain of EMILIN-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-25 _Entry.Accession_date 2003-07-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Giuliana Verdone . . . 5882 2 Simon Colebrooke . A. . 5882 3 Jonathan Boyd . . . 5882 4 Paolo Viglino . . . 5882 5 Alessandra Corazza . . . 5882 6 Gennaro Esposito . . . 5882 7 Iain Campbell . D. . 5882 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5882 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 142 5882 '13C chemical shifts' 438 5882 '15N chemical shifts' 137 5882 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2010-04-19 2003-07-25 update BMRB 'add related PDB ID' 5882 2 . . 2007-01-12 2003-07-25 update author 'update the residue sequence' 5882 1 . . 2004-04-07 2003-07-25 original author 'original release' 5882 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2OII 'structure entry' 5882 PDB 2KA3 'structure entry' 5882 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5882 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15017143 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific backbone NMR assignments for the C-terminal globular domain of EMILIN-1. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 91 _Citation.Page_last 92 _Citation.Year 2004 _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 Giuliana Verdone . . . 5882 1 2 Simon Colebrooke . A. . 5882 1 3 Jonathan Boyd . . . 5882 1 4 Paolo Viglino . . . 5882 1 5 Alessandra Corazza . . . 5882 1 6 Roberto Doliana . . . 5882 1 7 Gabriella Mungiguerra . . . 5882 1 8 Alfonso Colombatti . . . 5882 1 9 Gennaro Esposito . . . 5882 1 10 Iain Campbell . D. . 5882 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'C1q-like domain' 5882 1 'elastic fibres' 5882 1 EMILIN 5882 1 TROSY 5882 1 'partially deuterated proteins' 5882 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_gC1q-like _Assembly.Sf_category assembly _Assembly.Sf_framecode system_gC1q-like _Assembly.Entry_ID 5882 _Assembly.ID 1 _Assembly.Name 'C1q trimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID trimer 5882 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 'C1q subunit 1' 1 $C1q_monomer . . . native . . 1 . . 5882 1 2 'C1q subunit 2' 1 $C1q_monomer . . . native . . 1 . . 5882 1 3 'C1q subunit 3' 1 $C1q_monomer . . . native . . 1 . . 5882 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'C1q trimer' system 5882 1 gC1q-like abbreviation 5882 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'trimerization of h-EMILIN-1' 5882 1 'cell-adhesion promoting function' 5882 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_C1q_monomer _Entity.Sf_category entity _Entity.Sf_framecode C1q_monomer _Entity.Entry_ID 5882 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'C1q domain of h-EMILIN-1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGSPVPQVAFS AALSLPRSEPGTVPFDRVLL NDGGYYDPETGVFTAPLAGR YLLSAVLTGHRHEKVEAVLS RSNQGVARVDSGGYEPEGLE NKPVAESQPSPGTLGVFSLI LPLQAGDTVCVDLVMGQLAH SEEPLTIFSGALLYGDPELE HA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16824 _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 PDB 2KA3 . "Structure Of Emilin-1 C1q-Like Domain" . . . . . 100.00 162 100.00 100.00 1.20e-110 . . . . 5882 1 2 no PDB 2OII . "Structure Of Emilin-1 C1q-Like Domain" . . . . . 99.38 162 100.00 100.00 6.05e-110 . . . . 5882 1 3 no EMBL CAB43287 . "hypothetical protein [Homo sapiens]" . . . . . 93.21 990 99.34 100.00 3.49e-93 . . . . 5882 1 4 no GB AAD42161 . "emilin precursor [Homo sapiens]" . . . . . 93.21 1016 99.34 100.00 4.04e-93 . . . . 5882 1 5 no GB AAF25006 . "elastin microfibril interfase located protein [Homo sapiens]" . . . . . 93.21 1016 99.34 100.00 4.04e-93 . . . . 5882 1 6 no GB AAH07530 . "EMILIN1 protein [Homo sapiens]" . . . . . 93.21 347 99.34 100.00 7.48e-99 . . . . 5882 1 7 no GB AAH09947 . "EMILIN1 protein, partial [Homo sapiens]" . . . . . 93.21 580 99.34 100.00 1.26e-96 . . . . 5882 1 8 no GB AAI36280 . "Elastin microfibril interfacer 1 [Homo sapiens]" . . . . . 93.21 1016 99.34 100.00 4.04e-93 . . . . 5882 1 9 no REF NP_001247837 . "EMILIN-1 precursor [Macaca mulatta]" . . . . . 93.21 1016 98.68 100.00 1.75e-92 . . . . 5882 1 10 no REF NP_008977 . "EMILIN-1 precursor [Homo sapiens]" . . . . . 93.21 1016 99.34 100.00 4.04e-93 . . . . 5882 1 11 no REF XP_002812243 . "PREDICTED: EMILIN-1 [Pongo abelii]" . . . . . 93.21 1016 98.68 100.00 1.86e-92 . . . . 5882 1 12 no REF XP_003270673 . "PREDICTED: EMILIN-1 [Nomascus leucogenys]" . . . . . 93.21 1016 98.01 100.00 1.05e-91 . . . . 5882 1 13 no REF XP_003827126 . "PREDICTED: EMILIN-1 isoform X1 [Pan paniscus]" . . . . . 93.21 1016 98.68 100.00 1.72e-92 . . . . 5882 1 14 no SP Q9Y6C2 . "RecName: Full=EMILIN-1; AltName: Full=Elastin microfibril interface-located protein 1; Short=Elastin microfibril interfacer 1; " . . . . . 93.21 1016 99.34 100.00 4.26e-93 . . . . 5882 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'C1q domain of h-EMILIN-1' common 5882 1 gC1q-like abbreviation 5882 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5882 1 2 . ARG . 5882 1 3 . GLY . 5882 1 4 . SER . 5882 1 5 . HIS . 5882 1 6 . HIS . 5882 1 7 . HIS . 5882 1 8 . HIS . 5882 1 9 . HIS . 5882 1 10 . HIS . 5882 1 11 . GLY . 5882 1 12 . SER . 5882 1 13 . PRO . 5882 1 14 . VAL . 5882 1 15 . PRO . 5882 1 16 . GLN . 5882 1 17 . VAL . 5882 1 18 . ALA . 5882 1 19 . PHE . 5882 1 20 . SER . 5882 1 21 . ALA . 5882 1 22 . ALA . 5882 1 23 . LEU . 5882 1 24 . SER . 5882 1 25 . LEU . 5882 1 26 . PRO . 5882 1 27 . ARG . 5882 1 28 . SER . 5882 1 29 . GLU . 5882 1 30 . PRO . 5882 1 31 . GLY . 5882 1 32 . THR . 5882 1 33 . VAL . 5882 1 34 . PRO . 5882 1 35 . PHE . 5882 1 36 . ASP . 5882 1 37 . ARG . 5882 1 38 . VAL . 5882 1 39 . LEU . 5882 1 40 . LEU . 5882 1 41 . ASN . 5882 1 42 . ASP . 5882 1 43 . GLY . 5882 1 44 . GLY . 5882 1 45 . TYR . 5882 1 46 . TYR . 5882 1 47 . ASP . 5882 1 48 . PRO . 5882 1 49 . GLU . 5882 1 50 . THR . 5882 1 51 . GLY . 5882 1 52 . VAL . 5882 1 53 . PHE . 5882 1 54 . THR . 5882 1 55 . ALA . 5882 1 56 . PRO . 5882 1 57 . LEU . 5882 1 58 . ALA . 5882 1 59 . GLY . 5882 1 60 . ARG . 5882 1 61 . TYR . 5882 1 62 . LEU . 5882 1 63 . LEU . 5882 1 64 . SER . 5882 1 65 . ALA . 5882 1 66 . VAL . 5882 1 67 . LEU . 5882 1 68 . THR . 5882 1 69 . GLY . 5882 1 70 . HIS . 5882 1 71 . ARG . 5882 1 72 . HIS . 5882 1 73 . GLU . 5882 1 74 . LYS . 5882 1 75 . VAL . 5882 1 76 . GLU . 5882 1 77 . ALA . 5882 1 78 . VAL . 5882 1 79 . LEU . 5882 1 80 . SER . 5882 1 81 . ARG . 5882 1 82 . SER . 5882 1 83 . ASN . 5882 1 84 . GLN . 5882 1 85 . GLY . 5882 1 86 . VAL . 5882 1 87 . ALA . 5882 1 88 . ARG . 5882 1 89 . VAL . 5882 1 90 . ASP . 5882 1 91 . SER . 5882 1 92 . GLY . 5882 1 93 . GLY . 5882 1 94 . TYR . 5882 1 95 . GLU . 5882 1 96 . PRO . 5882 1 97 . GLU . 5882 1 98 . GLY . 5882 1 99 . LEU . 5882 1 100 . GLU . 5882 1 101 . ASN . 5882 1 102 . LYS . 5882 1 103 . PRO . 5882 1 104 . VAL . 5882 1 105 . ALA . 5882 1 106 . GLU . 5882 1 107 . SER . 5882 1 108 . GLN . 5882 1 109 . PRO . 5882 1 110 . SER . 5882 1 111 . PRO . 5882 1 112 . GLY . 5882 1 113 . THR . 5882 1 114 . LEU . 5882 1 115 . GLY . 5882 1 116 . VAL . 5882 1 117 . PHE . 5882 1 118 . SER . 5882 1 119 . LEU . 5882 1 120 . ILE . 5882 1 121 . LEU . 5882 1 122 . PRO . 5882 1 123 . LEU . 5882 1 124 . GLN . 5882 1 125 . ALA . 5882 1 126 . GLY . 5882 1 127 . ASP . 5882 1 128 . THR . 5882 1 129 . VAL . 5882 1 130 . CYS . 5882 1 131 . VAL . 5882 1 132 . ASP . 5882 1 133 . LEU . 5882 1 134 . VAL . 5882 1 135 . MET . 5882 1 136 . GLY . 5882 1 137 . GLN . 5882 1 138 . LEU . 5882 1 139 . ALA . 5882 1 140 . HIS . 5882 1 141 . SER . 5882 1 142 . GLU . 5882 1 143 . GLU . 5882 1 144 . PRO . 5882 1 145 . LEU . 5882 1 146 . THR . 5882 1 147 . ILE . 5882 1 148 . PHE . 5882 1 149 . SER . 5882 1 150 . GLY . 5882 1 151 . ALA . 5882 1 152 . LEU . 5882 1 153 . LEU . 5882 1 154 . TYR . 5882 1 155 . GLY . 5882 1 156 . ASP . 5882 1 157 . PRO . 5882 1 158 . GLU . 5882 1 159 . LEU . 5882 1 160 . GLU . 5882 1 161 . HIS . 5882 1 162 . ALA . 5882 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 5882 1 . ARG 2 2 5882 1 . GLY 3 3 5882 1 . SER 4 4 5882 1 . HIS 5 5 5882 1 . HIS 6 6 5882 1 . HIS 7 7 5882 1 . HIS 8 8 5882 1 . HIS 9 9 5882 1 . HIS 10 10 5882 1 . GLY 11 11 5882 1 . SER 12 12 5882 1 . PRO 13 13 5882 1 . VAL 14 14 5882 1 . PRO 15 15 5882 1 . GLN 16 16 5882 1 . VAL 17 17 5882 1 . ALA 18 18 5882 1 . PHE 19 19 5882 1 . SER 20 20 5882 1 . ALA 21 21 5882 1 . ALA 22 22 5882 1 . LEU 23 23 5882 1 . SER 24 24 5882 1 . LEU 25 25 5882 1 . PRO 26 26 5882 1 . ARG 27 27 5882 1 . SER 28 28 5882 1 . GLU 29 29 5882 1 . PRO 30 30 5882 1 . GLY 31 31 5882 1 . THR 32 32 5882 1 . VAL 33 33 5882 1 . PRO 34 34 5882 1 . PHE 35 35 5882 1 . ASP 36 36 5882 1 . ARG 37 37 5882 1 . VAL 38 38 5882 1 . LEU 39 39 5882 1 . LEU 40 40 5882 1 . ASN 41 41 5882 1 . ASP 42 42 5882 1 . GLY 43 43 5882 1 . GLY 44 44 5882 1 . TYR 45 45 5882 1 . TYR 46 46 5882 1 . ASP 47 47 5882 1 . PRO 48 48 5882 1 . GLU 49 49 5882 1 . THR 50 50 5882 1 . GLY 51 51 5882 1 . VAL 52 52 5882 1 . PHE 53 53 5882 1 . THR 54 54 5882 1 . ALA 55 55 5882 1 . PRO 56 56 5882 1 . LEU 57 57 5882 1 . ALA 58 58 5882 1 . GLY 59 59 5882 1 . ARG 60 60 5882 1 . TYR 61 61 5882 1 . LEU 62 62 5882 1 . LEU 63 63 5882 1 . SER 64 64 5882 1 . ALA 65 65 5882 1 . VAL 66 66 5882 1 . LEU 67 67 5882 1 . THR 68 68 5882 1 . GLY 69 69 5882 1 . HIS 70 70 5882 1 . ARG 71 71 5882 1 . HIS 72 72 5882 1 . GLU 73 73 5882 1 . LYS 74 74 5882 1 . VAL 75 75 5882 1 . GLU 76 76 5882 1 . ALA 77 77 5882 1 . VAL 78 78 5882 1 . LEU 79 79 5882 1 . SER 80 80 5882 1 . ARG 81 81 5882 1 . SER 82 82 5882 1 . ASN 83 83 5882 1 . GLN 84 84 5882 1 . GLY 85 85 5882 1 . VAL 86 86 5882 1 . ALA 87 87 5882 1 . ARG 88 88 5882 1 . VAL 89 89 5882 1 . ASP 90 90 5882 1 . SER 91 91 5882 1 . GLY 92 92 5882 1 . GLY 93 93 5882 1 . TYR 94 94 5882 1 . GLU 95 95 5882 1 . PRO 96 96 5882 1 . GLU 97 97 5882 1 . GLY 98 98 5882 1 . LEU 99 99 5882 1 . GLU 100 100 5882 1 . ASN 101 101 5882 1 . LYS 102 102 5882 1 . PRO 103 103 5882 1 . VAL 104 104 5882 1 . ALA 105 105 5882 1 . GLU 106 106 5882 1 . SER 107 107 5882 1 . GLN 108 108 5882 1 . PRO 109 109 5882 1 . SER 110 110 5882 1 . PRO 111 111 5882 1 . GLY 112 112 5882 1 . THR 113 113 5882 1 . LEU 114 114 5882 1 . GLY 115 115 5882 1 . VAL 116 116 5882 1 . PHE 117 117 5882 1 . SER 118 118 5882 1 . LEU 119 119 5882 1 . ILE 120 120 5882 1 . LEU 121 121 5882 1 . PRO 122 122 5882 1 . LEU 123 123 5882 1 . GLN 124 124 5882 1 . ALA 125 125 5882 1 . GLY 126 126 5882 1 . ASP 127 127 5882 1 . THR 128 128 5882 1 . VAL 129 129 5882 1 . CYS 130 130 5882 1 . VAL 131 131 5882 1 . ASP 132 132 5882 1 . LEU 133 133 5882 1 . VAL 134 134 5882 1 . MET 135 135 5882 1 . GLY 136 136 5882 1 . GLN 137 137 5882 1 . LEU 138 138 5882 1 . ALA 139 139 5882 1 . HIS 140 140 5882 1 . SER 141 141 5882 1 . GLU 142 142 5882 1 . GLU 143 143 5882 1 . PRO 144 144 5882 1 . LEU 145 145 5882 1 . THR 146 146 5882 1 . ILE 147 147 5882 1 . PHE 148 148 5882 1 . SER 149 149 5882 1 . GLY 150 150 5882 1 . ALA 151 151 5882 1 . LEU 152 152 5882 1 . LEU 153 153 5882 1 . TYR 154 154 5882 1 . GLY 155 155 5882 1 . ASP 156 156 5882 1 . PRO 157 157 5882 1 . GLU 158 158 5882 1 . LEU 159 159 5882 1 . GLU 160 160 5882 1 . HIS 161 161 5882 1 . ALA 162 162 5882 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 5882 _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 $C1q_monomer . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . 'elastic tissue' . . . . . . . 'extracellular matrix' . . . . . . . . 5882 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 5882 _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 $C1q_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 5882 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5882 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C1q domain of h-EMILIN-1' '[U-100% 13C; U-100% 15N; 80% 2H]' . . 1 $C1q_monomer . . 1.8 . . mM . . . . 5882 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 5882 1 3 'sodium chloride' . . . . . . . 100 . . mM . . . . 5882 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5882 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.50 0.01 n/a 5882 1 temperature 310.0 0.1 K 5882 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5882 _Software.ID 1 _Software.Name FELIX _Software.Version 2.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra processing' 5882 1 stop_ save_ save_XEasy _Software.Sf_category software _Software.Sf_framecode XEasy _Software.Entry_ID 5882 _Software.ID 2 _Software.Name XEasy _Software.Version 1.3.13 _Software.Details ; Bartels C, Xia TH, Billeter M, Guntert P, Wthrich K. (1995) J Biomol NMR 6:1-10. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra assignment' 5882 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5882 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; Spectrometers are built in-house at the Oxford Centre for Molecular Sciences. They incorporate an Oxford Instruments magnet and a GE/Omega computer. ; _NMR_spectrometer.Manufacturer 'Oxford Instruments' _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5882 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'Oxford Instruments' _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5882 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'Oxford Instruments' _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5882 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 'Oxford Instruments' . . 750 ; Spectrometers are built in-house at the Oxford Centre for Molecular Sciences. They incorporate an Oxford Instruments magnet and a GE/Omega computer. ; . . 5882 1 2 NMR_spectrometer_2 'Oxford Instruments' . . 600 . . . 5882 1 3 NMR_spectrometer_3 'Oxford Instruments' . . 500 . . . 5882 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 5882 _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 1H,15N-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5882 1 2 '3D [15N, 1H]-TROSY-HNCA' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5882 1 3 '3D [15N, 1H]-TROSY-HN(CO)CA' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5882 1 4 '3D [15N, 1H]-TROSY-HNCACB' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5882 1 5 '3D [15N, 1H]-TROSY-HN(CO)CACB' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5882 1 6 '3D [15N, 1H]-TROSY-HNCO' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5882 1 7 '3D [15N, 1H]-TROSY-HN(CA)CO' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5882 1 8 '3D 15N-NOESY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 5882 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5882 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H,15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5882 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D [15N, 1H]-TROSY-HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5882 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D [15N, 1H]-TROSY-HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5882 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D [15N, 1H]-TROSY-HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5882 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D [15N, 1H]-TROSY-HN(CO)CACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5882 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D [15N, 1H]-TROSY-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_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5882 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D [15N, 1H]-TROSY-HN(CA)CO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5882 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 15N-NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5882 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 dioxane 'methylene protons' . . . . ppm 3.750 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5882 1 C 13 dioxane 'methylene protons' . . . . ppm . external indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5882 1 N 15 dioxane 'methylene protons' . . . . ppm . external indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5882 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5882 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5882 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 13 13 PRO CA C 13 62.9 0.2 . 1 . . . . 846 . . . 5882 1 2 . 1 1 13 13 PRO C C 13 176.4 0.2 . 1 . . . . 846 . . . 5882 1 3 . 1 1 13 13 PRO CB C 13 30.7 0.2 . 1 . . . . 846 . . . 5882 1 4 . 1 1 14 14 VAL H H 1 7.98 0.01 . 1 . . . . 847 . . . 5882 1 5 . 1 1 14 14 VAL N N 15 119.91 0.03 . 1 . . . . 847 . . . 5882 1 6 . 1 1 14 14 VAL CA C 13 58.9 0.2 . 1 . . . . 847 . . . 5882 1 7 . 1 1 14 14 VAL C C 13 174.2 0.2 . 1 . . . . 847 . . . 5882 1 8 . 1 1 14 14 VAL CB C 13 31.6 0.2 . 1 . . . . 847 . . . 5882 1 9 . 1 1 15 15 PRO CA C 13 62.4 0.2 . 1 . . . . 848 . . . 5882 1 10 . 1 1 15 15 PRO C C 13 175.2 0.2 . 1 . . . . 848 . . . 5882 1 11 . 1 1 15 15 PRO CB C 13 30.6 0.2 . 1 . . . . 848 . . . 5882 1 12 . 1 1 16 16 GLN H H 1 7.68 0.01 . 1 . . . . 849 . . . 5882 1 13 . 1 1 16 16 GLN N N 15 119.90 0.03 . 1 . . . . 849 . . . 5882 1 14 . 1 1 16 16 GLN CA C 13 54.7 0.2 . 1 . . . . 849 . . . 5882 1 15 . 1 1 16 16 GLN C C 13 174.4 0.2 . 1 . . . . 849 . . . 5882 1 16 . 1 1 16 16 GLN CB C 13 26.1 0.2 . 1 . . . . 849 . . . 5882 1 17 . 1 1 17 17 VAL H H 1 7.98 0.01 . 1 . . . . 850 . . . 5882 1 18 . 1 1 17 17 VAL N N 15 122.91 0.03 . 1 . . . . 850 . . . 5882 1 19 . 1 1 17 17 VAL CA C 13 61.2 0.2 . 1 . . . . 850 . . . 5882 1 20 . 1 1 17 17 VAL C C 13 173.7 0.2 . 1 . . . . 850 . . . 5882 1 21 . 1 1 17 17 VAL CB C 13 34.2 0.2 . 1 . . . . 850 . . . 5882 1 22 . 1 1 18 18 ALA H H 1 7.59 0.01 . 1 . . . . 851 . . . 5882 1 23 . 1 1 18 18 ALA N N 15 124.83 0.03 . 1 . . . . 851 . . . 5882 1 24 . 1 1 18 18 ALA CA C 13 52.0 0.2 . 1 . . . . 851 . . . 5882 1 25 . 1 1 18 18 ALA C C 13 174.7 0.2 . 1 . . . . 851 . . . 5882 1 26 . 1 1 18 18 ALA CB C 13 21.3 0.2 . 1 . . . . 851 . . . 5882 1 27 . 1 1 19 19 PHE H H 1 9.00 0.01 . 1 . . . . 852 . . . 5882 1 28 . 1 1 19 19 PHE N N 15 116.05 0.03 . 1 . . . . 852 . . . 5882 1 29 . 1 1 19 19 PHE CA C 13 55.0 0.2 . 1 . . . . 852 . . . 5882 1 30 . 1 1 19 19 PHE C C 13 172.2 0.2 . 1 . . . . 852 . . . 5882 1 31 . 1 1 19 19 PHE CB C 13 42.4 0.2 . 1 . . . . 852 . . . 5882 1 32 . 1 1 20 20 SER H H 1 8.70 0.01 . 1 . . . . 853 . . . 5882 1 33 . 1 1 20 20 SER N N 15 114.66 0.03 . 1 . . . . 853 . . . 5882 1 34 . 1 1 20 20 SER CA C 13 58.5 0.2 . 1 . . . . 853 . . . 5882 1 35 . 1 1 20 20 SER C C 13 173.5 0.2 . 1 . . . . 853 . . . 5882 1 36 . 1 1 20 20 SER CB C 13 65.9 0.2 . 1 . . . . 853 . . . 5882 1 37 . 1 1 21 21 ALA H H 1 9.90 0.01 . 1 . . . . 854 . . . 5882 1 38 . 1 1 21 21 ALA N N 15 131.92 0.03 . 1 . . . . 854 . . . 5882 1 39 . 1 1 21 21 ALA CA C 13 51.0 0.2 . 1 . . . . 854 . . . 5882 1 40 . 1 1 21 21 ALA C C 13 173.4 0.2 . 1 . . . . 854 . . . 5882 1 41 . 1 1 21 21 ALA CB C 13 22.8 0.2 . 1 . . . . 854 . . . 5882 1 42 . 1 1 22 22 ALA H H 1 9.79 0.01 . 1 . . . . 855 . . . 5882 1 43 . 1 1 22 22 ALA N N 15 123.31 0.03 . 1 . . . . 855 . . . 5882 1 44 . 1 1 22 22 ALA CA C 13 49.1 0.2 . 1 . . . . 855 . . . 5882 1 45 . 1 1 22 22 ALA C C 13 175.8 0.2 . 1 . . . . 855 . . . 5882 1 46 . 1 1 22 22 ALA CB C 13 23.4 0.2 . 1 . . . . 855 . . . 5882 1 47 . 1 1 23 23 LEU H H 1 8.31 0.01 . 1 . . . . 856 . . . 5882 1 48 . 1 1 23 23 LEU N N 15 120.92 0.03 . 1 . . . . 856 . . . 5882 1 49 . 1 1 23 23 LEU CA C 13 54.2 0.2 . 1 . . . . 856 . . . 5882 1 50 . 1 1 23 23 LEU C C 13 176.8 0.2 . 1 . . . . 856 . . . 5882 1 51 . 1 1 23 23 LEU CB C 13 43.4 0.2 . 1 . . . . 856 . . . 5882 1 52 . 1 1 24 24 SER H H 1 10.92 0.01 . 1 . . . . 857 . . . 5882 1 53 . 1 1 24 24 SER N N 15 128.32 0.03 . 1 . . . . 857 . . . 5882 1 54 . 1 1 24 24 SER CA C 13 58.8 0.2 . 1 . . . . 857 . . . 5882 1 55 . 1 1 24 24 SER C C 13 172.3 0.2 . 1 . . . . 857 . . . 5882 1 56 . 1 1 24 24 SER CB C 13 64.7 0.2 . 1 . . . . 857 . . . 5882 1 57 . 1 1 25 25 LEU H H 1 7.23 0.01 . 1 . . . . 858 . . . 5882 1 58 . 1 1 25 25 LEU N N 15 125.70 0.03 . 1 . . . . 858 . . . 5882 1 59 . 1 1 25 25 LEU CA C 13 51.5 0.2 . 1 . . . . 858 . . . 5882 1 60 . 1 1 25 25 LEU C C 13 172.8 0.2 . 1 . . . . 858 . . . 5882 1 61 . 1 1 25 25 LEU CB C 13 42.2 0.2 . 1 . . . . 858 . . . 5882 1 62 . 1 1 26 26 PRO CA C 13 62.7 0.2 . 1 . . . . 859 . . . 5882 1 63 . 1 1 26 26 PRO C C 13 177.7 0.2 . 1 . . . . 859 . . . 5882 1 64 . 1 1 26 26 PRO CB C 13 31.1 0.2 . 1 . . . . 859 . . . 5882 1 65 . 1 1 27 27 ARG H H 1 8.41 0.01 . 1 . . . . 860 . . . 5882 1 66 . 1 1 27 27 ARG N N 15 120.50 0.03 . 1 . . . . 860 . . . 5882 1 67 . 1 1 27 27 ARG CA C 13 56.5 0.2 . 1 . . . . 860 . . . 5882 1 68 . 1 1 27 27 ARG C C 13 176.4 0.2 . 1 . . . . 860 . . . 5882 1 69 . 1 1 27 27 ARG CB C 13 29.0 0.2 . 1 . . . . 860 . . . 5882 1 70 . 1 1 28 28 SER H H 1 8.03 0.01 . 1 . . . . 861 . . . 5882 1 71 . 1 1 28 28 SER N N 15 115.37 0.03 . 1 . . . . 861 . . . 5882 1 72 . 1 1 28 28 SER CA C 13 57.7 0.2 . 1 . . . . 861 . . . 5882 1 73 . 1 1 28 28 SER C C 13 174.0 0.2 . 1 . . . . 861 . . . 5882 1 74 . 1 1 28 28 SER CB C 13 63.1 0.2 . 1 . . . . 861 . . . 5882 1 75 . 1 1 29 29 GLU H H 1 8.30 0.01 . 1 . . . . 862 . . . 5882 1 76 . 1 1 29 29 GLU N N 15 122.44 0.03 . 1 . . . . 862 . . . 5882 1 77 . 1 1 29 29 GLU CA C 13 53.2 0.2 . 1 . . . . 862 . . . 5882 1 78 . 1 1 29 29 GLU C C 13 175.0 0.2 . 1 . . . . 862 . . . 5882 1 79 . 1 1 29 29 GLU CB C 13 28.0 0.2 . 1 . . . . 862 . . . 5882 1 80 . 1 1 30 30 PRO CA C 13 62.5 0.2 . 1 . . . . 863 . . . 5882 1 81 . 1 1 30 30 PRO C C 13 176.2 0.2 . 1 . . . . 863 . . . 5882 1 82 . 1 1 30 30 PRO CB C 13 31.7 0.2 . 1 . . . . 863 . . . 5882 1 83 . 1 1 31 31 GLY H H 1 8.75 0.01 . 1 . . . . 864 . . . 5882 1 84 . 1 1 31 31 GLY N N 15 108.28 0.03 . 1 . . . . 864 . . . 5882 1 85 . 1 1 31 31 GLY CA C 13 42.6 0.2 . 1 . . . . 864 . . . 5882 1 86 . 1 1 31 31 GLY C C 13 174.6 0.2 . 1 . . . . 864 . . . 5882 1 87 . 1 1 32 32 THR H H 1 8.40 0.01 . 1 . . . . 865 . . . 5882 1 88 . 1 1 32 32 THR N N 15 121.13 0.03 . 1 . . . . 865 . . . 5882 1 89 . 1 1 32 32 THR CA C 13 64.1 0.2 . 1 . . . . 865 . . . 5882 1 90 . 1 1 32 32 THR C C 13 174.9 0.2 . 1 . . . . 865 . . . 5882 1 91 . 1 1 32 32 THR CB C 13 68.4 0.2 . 1 . . . . 865 . . . 5882 1 92 . 1 1 33 33 VAL H H 1 9.07 0.01 . 1 . . . . 866 . . . 5882 1 93 . 1 1 33 33 VAL N N 15 128.92 0.03 . 1 . . . . 866 . . . 5882 1 94 . 1 1 33 33 VAL CA C 13 60.3 0.2 . 1 . . . . 866 . . . 5882 1 95 . 1 1 33 33 VAL C C 13 173.2 0.2 . 1 . . . . 866 . . . 5882 1 96 . 1 1 33 33 VAL CB C 13 32.6 0.2 . 1 . . . . 866 . . . 5882 1 97 . 1 1 34 34 PRO CA C 13 60.0 0.2 . 1 . . . . 867 . . . 5882 1 98 . 1 1 34 34 PRO C C 13 174.9 0.2 . 1 . . . . 867 . . . 5882 1 99 . 1 1 34 34 PRO CB C 13 28.1 0.2 . 1 . . . . 867 . . . 5882 1 100 . 1 1 35 35 PHE H H 1 6.98 0.01 . 1 . . . . 868 . . . 5882 1 101 . 1 1 35 35 PHE N N 15 123.47 0.03 . 1 . . . . 868 . . . 5882 1 102 . 1 1 35 35 PHE CA C 13 58.9 0.2 . 1 . . . . 868 . . . 5882 1 103 . 1 1 35 35 PHE C C 13 176.3 0.2 . 1 . . . . 868 . . . 5882 1 104 . 1 1 35 35 PHE CB C 13 36.2 0.2 . 1 . . . . 868 . . . 5882 1 105 . 1 1 36 36 ASP H H 1 8.61 0.01 . 1 . . . . 869 . . . 5882 1 106 . 1 1 36 36 ASP N N 15 124.75 0.03 . 1 . . . . 869 . . . 5882 1 107 . 1 1 36 36 ASP CA C 13 55.9 0.2 . 1 . . . . 869 . . . 5882 1 108 . 1 1 36 36 ASP C C 13 174.8 0.2 . 1 . . . . 869 . . . 5882 1 109 . 1 1 36 36 ASP CB C 13 42.1 0.2 . 1 . . . . 869 . . . 5882 1 110 . 1 1 37 37 ARG H H 1 9.29 0.01 . 1 . . . . 870 . . . 5882 1 111 . 1 1 37 37 ARG N N 15 122.72 0.03 . 1 . . . . 870 . . . 5882 1 112 . 1 1 37 37 ARG CA C 13 54.1 0.2 . 1 . . . . 870 . . . 5882 1 113 . 1 1 37 37 ARG C C 13 175.3 0.2 . 1 . . . . 870 . . . 5882 1 114 . 1 1 37 37 ARG CB C 13 28.5 0.2 . 1 . . . . 870 . . . 5882 1 115 . 1 1 38 38 VAL H H 1 9.01 0.01 . 1 . . . . 871 . . . 5882 1 116 . 1 1 38 38 VAL N N 15 128.08 0.03 . 1 . . . . 871 . . . 5882 1 117 . 1 1 38 38 VAL CA C 13 64.3 0.2 . 1 . . . . 871 . . . 5882 1 118 . 1 1 38 38 VAL C C 13 176.1 0.2 . 1 . . . . 871 . . . 5882 1 119 . 1 1 38 38 VAL CB C 13 31.2 0.2 . 1 . . . . 871 . . . 5882 1 120 . 1 1 39 39 LEU H H 1 9.03 0.01 . 1 . . . . 872 . . . 5882 1 121 . 1 1 39 39 LEU N N 15 130.22 0.03 . 1 . . . . 872 . . . 5882 1 122 . 1 1 39 39 LEU CA C 13 55.8 0.2 . 1 . . . . 872 . . . 5882 1 123 . 1 1 39 39 LEU C C 13 176.0 0.2 . 1 . . . . 872 . . . 5882 1 124 . 1 1 39 39 LEU CB C 13 40.9 0.2 . 1 . . . . 872 . . . 5882 1 125 . 1 1 40 40 LEU H H 1 8.12 0.01 . 1 . . . . 873 . . . 5882 1 126 . 1 1 40 40 LEU N N 15 119.75 0.03 . 1 . . . . 873 . . . 5882 1 127 . 1 1 40 40 LEU CA C 13 54.7 0.2 . 1 . . . . 873 . . . 5882 1 128 . 1 1 40 40 LEU C C 13 174.9 0.2 . 1 . . . . 873 . . . 5882 1 129 . 1 1 40 40 LEU CB C 13 44.3 0.2 . 1 . . . . 873 . . . 5882 1 130 . 1 1 41 41 ASN CA C 13 52.1 0.2 . 1 . . . . 874 . . . 5882 1 131 . 1 1 41 41 ASN C C 13 175.7 0.2 . 1 . . . . 874 . . . 5882 1 132 . 1 1 41 41 ASN CB C 13 35.8 0.2 . 1 . . . . 874 . . . 5882 1 133 . 1 1 42 42 ASP H H 1 8.84 0.01 . 1 . . . . 875 . . . 5882 1 134 . 1 1 42 42 ASP N N 15 126.80 0.03 . 1 . . . . 875 . . . 5882 1 135 . 1 1 42 42 ASP CA C 13 56.4 0.2 . 1 . . . . 875 . . . 5882 1 136 . 1 1 42 42 ASP C C 13 176.6 0.2 . 1 . . . . 875 . . . 5882 1 137 . 1 1 42 42 ASP CB C 13 38.4 0.2 . 1 . . . . 875 . . . 5882 1 138 . 1 1 43 43 GLY H H 1 8.93 0.01 . 1 . . . . 876 . . . 5882 1 139 . 1 1 43 43 GLY N N 15 116.22 0.03 . 1 . . . . 876 . . . 5882 1 140 . 1 1 43 43 GLY CA C 13 44.5 0.2 . 1 . . . . 876 . . . 5882 1 141 . 1 1 43 43 GLY C C 13 173.9 0.2 . 1 . . . . 876 . . . 5882 1 142 . 1 1 44 44 GLY H H 1 7.54 0.01 . 1 . . . . 877 . . . 5882 1 143 . 1 1 44 44 GLY N N 15 105.28 0.03 . 1 . . . . 877 . . . 5882 1 144 . 1 1 44 44 GLY CA C 13 45.9 0.2 . 1 . . . . 877 . . . 5882 1 145 . 1 1 44 44 GLY C C 13 174.6 0.2 . 1 . . . . 877 . . . 5882 1 146 . 1 1 45 45 TYR H H 1 8.03 0.01 . 1 . . . . 878 . . . 5882 1 147 . 1 1 45 45 TYR N N 15 118.12 0.03 . 1 . . . . 878 . . . 5882 1 148 . 1 1 45 45 TYR CA C 13 59.3 0.2 . 1 . . . . 878 . . . 5882 1 149 . 1 1 45 45 TYR C C 13 175.4 0.2 . 1 . . . . 878 . . . 5882 1 150 . 1 1 45 45 TYR CB C 13 36.6 0.2 . 1 . . . . 878 . . . 5882 1 151 . 1 1 46 46 TYR H H 1 8.04 0.01 . 1 . . . . 879 . . . 5882 1 152 . 1 1 46 46 TYR N N 15 119.06 0.03 . 1 . . . . 879 . . . 5882 1 153 . 1 1 46 46 TYR CA C 13 57.1 0.2 . 1 . . . . 879 . . . 5882 1 154 . 1 1 46 46 TYR C C 13 173.3 0.2 . 1 . . . . 879 . . . 5882 1 155 . 1 1 46 46 TYR CB C 13 38.1 0.2 . 1 . . . . 879 . . . 5882 1 156 . 1 1 47 47 ASP H H 1 6.99 0.01 . 1 . . . . 880 . . . 5882 1 157 . 1 1 47 47 ASP N N 15 127.88 0.03 . 1 . . . . 880 . . . 5882 1 158 . 1 1 47 47 ASP CA C 13 49.1 0.2 . 1 . . . . 880 . . . 5882 1 159 . 1 1 47 47 ASP C C 13 173.3 0.2 . 1 . . . . 880 . . . 5882 1 160 . 1 1 47 47 ASP CB C 13 41.9 0.2 . 1 . . . . 880 . . . 5882 1 161 . 1 1 48 48 PRO CA C 13 63.2 0.2 . 1 . . . . 881 . . . 5882 1 162 . 1 1 48 48 PRO C C 13 176.8 0.2 . 1 . . . . 881 . . . 5882 1 163 . 1 1 48 48 PRO CB C 13 31.1 0.2 . 1 . . . . 881 . . . 5882 1 164 . 1 1 49 49 GLU H H 1 7.97 0.01 . 1 . . . . 882 . . . 5882 1 165 . 1 1 49 49 GLU N N 15 115.26 0.03 . 1 . . . . 882 . . . 5882 1 166 . 1 1 49 49 GLU CA C 13 57.8 0.2 . 1 . . . . 882 . . . 5882 1 167 . 1 1 49 49 GLU C C 13 178.2 0.2 . 1 . . . . 882 . . . 5882 1 168 . 1 1 49 49 GLU CB C 13 28.6 0.2 . 1 . . . . 882 . . . 5882 1 169 . 1 1 50 50 THR H H 1 6.90 0.01 . 1 . . . . 883 . . . 5882 1 170 . 1 1 50 50 THR N N 15 103.96 0.03 . 1 . . . . 883 . . . 5882 1 171 . 1 1 50 50 THR CA C 13 60.4 0.2 . 1 . . . . 883 . . . 5882 1 172 . 1 1 50 50 THR C C 13 175.9 0.2 . 1 . . . . 883 . . . 5882 1 173 . 1 1 50 50 THR CB C 13 70.5 0.2 . 1 . . . . 883 . . . 5882 1 174 . 1 1 51 51 GLY H H 1 8.59 0.01 . 1 . . . . 884 . . . 5882 1 175 . 1 1 51 51 GLY N N 15 108.40 0.03 . 1 . . . . 884 . . . 5882 1 176 . 1 1 51 51 GLY CA C 13 45.1 0.2 . 1 . . . . 884 . . . 5882 1 177 . 1 1 51 51 GLY C C 13 173.6 0.2 . 1 . . . . 884 . . . 5882 1 178 . 1 1 52 52 VAL H H 1 7.30 0.01 . 1 . . . . 885 . . . 5882 1 179 . 1 1 52 52 VAL N N 15 118.10 0.03 . 1 . . . . 885 . . . 5882 1 180 . 1 1 52 52 VAL CA C 13 61.6 0.2 . 1 . . . . 885 . . . 5882 1 181 . 1 1 52 52 VAL C C 13 177.1 0.2 . 1 . . . . 885 . . . 5882 1 182 . 1 1 52 52 VAL CB C 13 33.0 0.2 . 1 . . . . 885 . . . 5882 1 183 . 1 1 53 53 PHE H H 1 9.19 0.01 . 1 . . . . 886 . . . 5882 1 184 . 1 1 53 53 PHE N N 15 130.16 0.03 . 1 . . . . 886 . . . 5882 1 185 . 1 1 53 53 PHE CA C 13 55.1 0.2 . 1 . . . . 886 . . . 5882 1 186 . 1 1 53 53 PHE C C 13 173.6 0.2 . 1 . . . . 886 . . . 5882 1 187 . 1 1 53 53 PHE CB C 13 40.1 0.2 . 1 . . . . 886 . . . 5882 1 188 . 1 1 54 54 THR H H 1 7.35 0.01 . 1 . . . . 887 . . . 5882 1 189 . 1 1 54 54 THR N N 15 124.84 0.03 . 1 . . . . 887 . . . 5882 1 190 . 1 1 54 54 THR CA C 13 60.4 0.2 . 1 . . . . 887 . . . 5882 1 191 . 1 1 54 54 THR C C 13 172.4 0.2 . 1 . . . . 887 . . . 5882 1 192 . 1 1 54 54 THR CB C 13 68.1 0.2 . 1 . . . . 887 . . . 5882 1 193 . 1 1 55 55 ALA H H 1 8.29 0.01 . 1 . . . . 888 . . . 5882 1 194 . 1 1 55 55 ALA N N 15 127.64 0.03 . 1 . . . . 888 . . . 5882 1 195 . 1 1 55 55 ALA CA C 13 49.1 0.2 . 1 . . . . 888 . . . 5882 1 196 . 1 1 55 55 ALA C C 13 177.6 0.2 . 1 . . . . 888 . . . 5882 1 197 . 1 1 55 55 ALA CB C 13 16.9 0.2 . 1 . . . . 888 . . . 5882 1 198 . 1 1 56 56 PRO CA C 13 62.4 0.2 . 1 . . . . 889 . . . 5882 1 199 . 1 1 56 56 PRO C C 13 175.4 0.2 . 1 . . . . 889 . . . 5882 1 200 . 1 1 56 56 PRO CB C 13 29.9 0.2 . 1 . . . . 889 . . . 5882 1 201 . 1 1 57 57 LEU H H 1 6.47 0.01 . 1 . . . . 890 . . . 5882 1 202 . 1 1 57 57 LEU N N 15 114.77 0.03 . 1 . . . . 890 . . . 5882 1 203 . 1 1 57 57 LEU CA C 13 52.6 0.2 . 1 . . . . 890 . . . 5882 1 204 . 1 1 57 57 LEU C C 13 175.3 0.2 . 1 . . . . 890 . . . 5882 1 205 . 1 1 57 57 LEU CB C 13 44.5 0.2 . 1 . . . . 890 . . . 5882 1 206 . 1 1 58 58 ALA H H 1 8.99 0.01 . 1 . . . . 891 . . . 5882 1 207 . 1 1 58 58 ALA N N 15 127.29 0.03 . 1 . . . . 891 . . . 5882 1 208 . 1 1 58 58 ALA CA C 13 51.4 0.2 . 1 . . . . 891 . . . 5882 1 209 . 1 1 58 58 ALA C C 13 177.4 0.2 . 1 . . . . 891 . . . 5882 1 210 . 1 1 58 58 ALA CB C 13 17.7 0.2 . 1 . . . . 891 . . . 5882 1 211 . 1 1 59 59 GLY H H 1 8.78 0.01 . 1 . . . . 892 . . . 5882 1 212 . 1 1 59 59 GLY N N 15 111.26 0.03 . 1 . . . . 892 . . . 5882 1 213 . 1 1 59 59 GLY CA C 13 45.7 0.2 . 1 . . . . 892 . . . 5882 1 214 . 1 1 59 59 GLY C C 13 170.1 0.2 . 1 . . . . 892 . . . 5882 1 215 . 1 1 60 60 ARG H H 1 8.39 0.01 . 1 . . . . 893 . . . 5882 1 216 . 1 1 60 60 ARG N N 15 122.06 0.03 . 1 . . . . 893 . . . 5882 1 217 . 1 1 60 60 ARG CA C 13 55.3 0.2 . 1 . . . . 893 . . . 5882 1 218 . 1 1 60 60 ARG C C 13 174.3 0.2 . 1 . . . . 893 . . . 5882 1 219 . 1 1 60 60 ARG CB C 13 29.0 0.2 . 1 . . . . 893 . . . 5882 1 220 . 1 1 61 61 TYR H H 1 8.79 0.01 . 1 . . . . 894 . . . 5882 1 221 . 1 1 61 61 TYR N N 15 121.57 0.03 . 1 . . . . 894 . . . 5882 1 222 . 1 1 61 61 TYR CA C 13 55.5 0.2 . 1 . . . . 894 . . . 5882 1 223 . 1 1 61 61 TYR C C 13 174.2 0.2 . 1 . . . . 894 . . . 5882 1 224 . 1 1 61 61 TYR CB C 13 39.0 0.2 . 1 . . . . 894 . . . 5882 1 225 . 1 1 62 62 LEU H H 1 8.73 0.01 . 1 . . . . 895 . . . 5882 1 226 . 1 1 62 62 LEU N N 15 125.08 0.03 . 1 . . . . 895 . . . 5882 1 227 . 1 1 62 62 LEU CA C 13 53.9 0.2 . 1 . . . . 895 . . . 5882 1 228 . 1 1 62 62 LEU C C 13 174.9 0.2 . 1 . . . . 895 . . . 5882 1 229 . 1 1 62 62 LEU CB C 13 42.7 0.2 . 1 . . . . 895 . . . 5882 1 230 . 1 1 63 63 LEU H H 1 8.66 0.01 . 1 . . . . 896 . . . 5882 1 231 . 1 1 63 63 LEU N N 15 126.27 0.03 . 1 . . . . 896 . . . 5882 1 232 . 1 1 63 63 LEU CA C 13 53.0 0.2 . 1 . . . . 896 . . . 5882 1 233 . 1 1 63 63 LEU C C 13 174.8 0.2 . 1 . . . . 896 . . . 5882 1 234 . 1 1 63 63 LEU CB C 13 44.5 0.2 . 1 . . . . 896 . . . 5882 1 235 . 1 1 64 64 SER H H 1 8.86 0.01 . 1 . . . . 897 . . . 5882 1 236 . 1 1 64 64 SER N N 15 114.17 0.03 . 1 . . . . 897 . . . 5882 1 237 . 1 1 64 64 SER CA C 13 55.0 0.2 . 1 . . . . 897 . . . 5882 1 238 . 1 1 64 64 SER C C 13 172.8 0.2 . 1 . . . . 897 . . . 5882 1 239 . 1 1 64 64 SER CB C 13 65.8 0.2 . 1 . . . . 897 . . . 5882 1 240 . 1 1 65 65 ALA H H 1 9.20 0.01 . 1 . . . . 898 . . . 5882 1 241 . 1 1 65 65 ALA N N 15 124.41 0.03 . 1 . . . . 898 . . . 5882 1 242 . 1 1 65 65 ALA CA C 13 51.5 0.2 . 1 . . . . 898 . . . 5882 1 243 . 1 1 65 65 ALA C C 13 175.3 0.2 . 1 . . . . 898 . . . 5882 1 244 . 1 1 65 65 ALA CB C 13 22.0 0.2 . 1 . . . . 898 . . . 5882 1 245 . 1 1 66 66 VAL H H 1 9.06 0.01 . 1 . . . . 899 . . . 5882 1 246 . 1 1 66 66 VAL N N 15 121.85 0.03 . 1 . . . . 899 . . . 5882 1 247 . 1 1 66 66 VAL CA C 13 62.2 0.2 . 1 . . . . 899 . . . 5882 1 248 . 1 1 66 66 VAL C C 13 174.0 0.2 . 1 . . . . 899 . . . 5882 1 249 . 1 1 66 66 VAL CB C 13 33.4 0.2 . 1 . . . . 899 . . . 5882 1 250 . 1 1 67 67 LEU H H 1 9.35 0.01 . 1 . . . . 900 . . . 5882 1 251 . 1 1 67 67 LEU N N 15 125.15 0.03 . 1 . . . . 900 . . . 5882 1 252 . 1 1 67 67 LEU CA C 13 52.9 0.2 . 1 . . . . 900 . . . 5882 1 253 . 1 1 67 67 LEU C C 13 174.2 0.2 . 1 . . . . 900 . . . 5882 1 254 . 1 1 67 67 LEU CB C 13 41.4 0.2 . 1 . . . . 900 . . . 5882 1 255 . 1 1 68 68 THR H H 1 7.58 0.01 . 1 . . . . 901 . . . 5882 1 256 . 1 1 68 68 THR N N 15 118.82 0.03 . 1 . . . . 901 . . . 5882 1 257 . 1 1 68 68 THR CA C 13 61.9 0.2 . 1 . . . . 901 . . . 5882 1 258 . 1 1 68 68 THR C C 13 174.3 0.2 . 1 . . . . 901 . . . 5882 1 259 . 1 1 68 68 THR CB C 13 68.4 0.2 . 1 . . . . 901 . . . 5882 1 260 . 1 1 69 69 GLY H H 1 9.21 0.01 . 1 . . . . 902 . . . 5882 1 261 . 1 1 69 69 GLY N N 15 114.66 0.03 . 1 . . . . 902 . . . 5882 1 262 . 1 1 69 69 GLY CA C 13 43.5 0.2 . 1 . . . . 902 . . . 5882 1 263 . 1 1 69 69 GLY C C 13 174.4 0.2 . 1 . . . . 902 . . . 5882 1 264 . 1 1 70 70 HIS H H 1 8.31 0.01 . 1 . . . . 903 . . . 5882 1 265 . 1 1 70 70 HIS N N 15 118.13 0.03 . 1 . . . . 903 . . . 5882 1 266 . 1 1 70 70 HIS CA C 13 55.3 0.2 . 1 . . . . 903 . . . 5882 1 267 . 1 1 70 70 HIS C C 13 175.9 0.2 . 1 . . . . 903 . . . 5882 1 268 . 1 1 70 70 HIS CB C 13 31.0 0.2 . 1 . . . . 903 . . . 5882 1 269 . 1 1 71 71 ARG H H 1 8.44 0.01 . 1 . . . . 904 . . . 5882 1 270 . 1 1 71 71 ARG N N 15 119.97 0.03 . 1 . . . . 904 . . . 5882 1 271 . 1 1 71 71 ARG CA C 13 57.8 0.2 . 1 . . . . 904 . . . 5882 1 272 . 1 1 71 71 ARG C C 13 175.9 0.2 . 1 . . . . 904 . . . 5882 1 273 . 1 1 71 71 ARG CB C 13 29.1 0.2 . 1 . . . . 904 . . . 5882 1 274 . 1 1 72 72 HIS H H 1 8.50 0.01 . 1 . . . . 905 . . . 5882 1 275 . 1 1 72 72 HIS N N 15 114.71 0.03 . 1 . . . . 905 . . . 5882 1 276 . 1 1 72 72 HIS CA C 13 57.6 0.2 . 1 . . . . 905 . . . 5882 1 277 . 1 1 72 72 HIS C C 13 174.2 0.2 . 1 . . . . 905 . . . 5882 1 278 . 1 1 72 72 HIS CB C 13 28.6 0.2 . 1 . . . . 905 . . . 5882 1 279 . 1 1 73 73 GLU H H 1 7.70 0.01 . 1 . . . . 906 . . . 5882 1 280 . 1 1 73 73 GLU N N 15 119.62 0.03 . 1 . . . . 906 . . . 5882 1 281 . 1 1 73 73 GLU CA C 13 54.7 0.2 . 1 . . . . 906 . . . 5882 1 282 . 1 1 73 73 GLU C C 13 174.3 0.2 . 1 . . . . 906 . . . 5882 1 283 . 1 1 73 73 GLU CB C 13 31.4 0.2 . 1 . . . . 906 . . . 5882 1 284 . 1 1 74 74 LYS H H 1 8.10 0.01 . 1 . . . . 907 . . . 5882 1 285 . 1 1 74 74 LYS N N 15 120.29 0.03 . 1 . . . . 907 . . . 5882 1 286 . 1 1 74 74 LYS CA C 13 55.3 0.2 . 1 . . . . 907 . . . 5882 1 287 . 1 1 74 74 LYS C C 13 174.3 0.2 . 1 . . . . 907 . . . 5882 1 288 . 1 1 74 74 LYS CB C 13 31.8 0.2 . 1 . . . . 907 . . . 5882 1 289 . 1 1 75 75 VAL H H 1 8.45 0.01 . 1 . . . . 908 . . . 5882 1 290 . 1 1 75 75 VAL N N 15 118.34 0.03 . 1 . . . . 908 . . . 5882 1 291 . 1 1 75 75 VAL CA C 13 60.3 0.2 . 1 . . . . 908 . . . 5882 1 292 . 1 1 75 75 VAL C C 13 174.5 0.2 . 1 . . . . 908 . . . 5882 1 293 . 1 1 75 75 VAL CB C 13 33.6 0.2 . 1 . . . . 908 . . . 5882 1 294 . 1 1 76 76 GLU H H 1 8.39 0.01 . 1 . . . . 909 . . . 5882 1 295 . 1 1 76 76 GLU N N 15 125.67 0.03 . 1 . . . . 909 . . . 5882 1 296 . 1 1 76 76 GLU CA C 13 54.0 0.2 . 1 . . . . 909 . . . 5882 1 297 . 1 1 76 76 GLU C C 13 175.2 0.2 . 1 . . . . 909 . . . 5882 1 298 . 1 1 76 76 GLU CB C 13 32.9 0.2 . 1 . . . . 909 . . . 5882 1 299 . 1 1 77 77 ALA H H 1 8.71 0.01 . 1 . . . . 910 . . . 5882 1 300 . 1 1 77 77 ALA N N 15 126.57 0.03 . 1 . . . . 910 . . . 5882 1 301 . 1 1 77 77 ALA CA C 13 50.7 0.2 . 1 . . . . 910 . . . 5882 1 302 . 1 1 77 77 ALA C C 13 173.7 0.2 . 1 . . . . 910 . . . 5882 1 303 . 1 1 77 77 ALA CB C 13 22.5 0.2 . 1 . . . . 910 . . . 5882 1 304 . 1 1 78 78 VAL H H 1 9.37 0.01 . 1 . . . . 911 . . . 5882 1 305 . 1 1 78 78 VAL N N 15 120.37 0.03 . 1 . . . . 911 . . . 5882 1 306 . 1 1 78 78 VAL CA C 13 60.3 0.2 . 1 . . . . 911 . . . 5882 1 307 . 1 1 78 78 VAL C C 13 173.7 0.2 . 1 . . . . 911 . . . 5882 1 308 . 1 1 78 78 VAL CB C 13 35.8 0.2 . 1 . . . . 911 . . . 5882 1 309 . 1 1 79 79 LEU H H 1 8.21 0.01 . 1 . . . . 912 . . . 5882 1 310 . 1 1 79 79 LEU N N 15 128.75 0.03 . 1 . . . . 912 . . . 5882 1 311 . 1 1 79 79 LEU CA C 13 53.1 0.2 . 1 . . . . 912 . . . 5882 1 312 . 1 1 79 79 LEU C C 13 174.6 0.2 . 1 . . . . 912 . . . 5882 1 313 . 1 1 79 79 LEU CB C 13 40.2 0.2 . 1 . . . . 912 . . . 5882 1 314 . 1 1 80 80 SER H H 1 8.87 0.01 . 1 . . . . 913 . . . 5882 1 315 . 1 1 80 80 SER N N 15 124.54 0.03 . 1 . . . . 913 . . . 5882 1 316 . 1 1 80 80 SER CA C 13 56.4 0.2 . 1 . . . . 913 . . . 5882 1 317 . 1 1 80 80 SER C C 13 173.3 0.2 . 1 . . . . 913 . . . 5882 1 318 . 1 1 80 80 SER CB C 13 64.3 0.2 . 1 . . . . 913 . . . 5882 1 319 . 1 1 81 81 ARG H H 1 8.93 0.01 . 1 . . . . 914 . . . 5882 1 320 . 1 1 81 81 ARG N N 15 126.10 0.03 . 1 . . . . 914 . . . 5882 1 321 . 1 1 81 81 ARG CA C 13 52.9 0.2 . 1 . . . . 914 . . . 5882 1 322 . 1 1 81 81 ARG C C 13 176.3 0.2 . 1 . . . . 914 . . . 5882 1 323 . 1 1 81 81 ARG CB C 13 30.9 0.2 . 1 . . . . 914 . . . 5882 1 324 . 1 1 82 82 SER H H 1 10.19 0.01 . 1 . . . . 915 . . . 5882 1 325 . 1 1 82 82 SER N N 15 127.33 0.03 . 1 . . . . 915 . . . 5882 1 326 . 1 1 82 82 SER CA C 13 58.2 0.2 . 1 . . . . 915 . . . 5882 1 327 . 1 1 82 82 SER C C 13 174.4 0.2 . 1 . . . . 915 . . . 5882 1 328 . 1 1 82 82 SER CB C 13 61.6 0.2 . 1 . . . . 915 . . . 5882 1 329 . 1 1 83 83 ASN H H 1 8.28 0.01 . 1 . . . . 916 . . . 5882 1 330 . 1 1 83 83 ASN N N 15 108.53 0.03 . 1 . . . . 916 . . . 5882 1 331 . 1 1 83 83 ASN CA C 13 54.8 0.2 . 1 . . . . 916 . . . 5882 1 332 . 1 1 83 83 ASN C C 13 173.5 0.2 . 1 . . . . 916 . . . 5882 1 333 . 1 1 83 83 ASN CB C 13 36.8 0.2 . 1 . . . . 916 . . . 5882 1 334 . 1 1 83 83 ASN CG C 13 178.7 0.2 . 1 . . . . 916 . . . 5882 1 335 . 1 1 83 83 ASN ND2 N 15 112.60 0.03 . 1 . . . . 916 . . . 5882 1 336 . 1 1 83 83 ASN HD21 H 1 7.38 0.01 . 2 . . . . 916 . . . 5882 1 337 . 1 1 83 83 ASN HD22 H 1 6.75 0.01 . 2 . . . . 916 . . . 5882 1 338 . 1 1 84 84 GLN H H 1 7.81 0.01 . 1 . . . . 917 . . . 5882 1 339 . 1 1 84 84 GLN N N 15 118.81 0.03 . 1 . . . . 917 . . . 5882 1 340 . 1 1 84 84 GLN CA C 13 53.9 0.2 . 1 . . . . 917 . . . 5882 1 341 . 1 1 84 84 GLN C C 13 175.5 0.2 . 1 . . . . 917 . . . 5882 1 342 . 1 1 84 84 GLN CB C 13 30.1 0.2 . 1 . . . . 917 . . . 5882 1 343 . 1 1 84 84 GLN CG C 13 32.5 0.2 . 1 . . . . 917 . . . 5882 1 344 . 1 1 84 84 GLN CD C 13 180.6 0.2 . 1 . . . . 917 . . . 5882 1 345 . 1 1 84 84 GLN NE2 N 15 112.02 0.03 . 1 . . . . 917 . . . 5882 1 346 . 1 1 84 84 GLN HE21 H 1 7.46 0.01 . 2 . . . . 917 . . . 5882 1 347 . 1 1 84 84 GLN HE22 H 1 6.79 0.01 . 2 . . . . 917 . . . 5882 1 348 . 1 1 85 85 GLY H H 1 8.78 0.01 . 1 . . . . 918 . . . 5882 1 349 . 1 1 85 85 GLY N N 15 113.22 0.03 . 1 . . . . 918 . . . 5882 1 350 . 1 1 85 85 GLY CA C 13 46.3 0.2 . 1 . . . . 918 . . . 5882 1 351 . 1 1 85 85 GLY C C 13 174.7 0.2 . 1 . . . . 918 . . . 5882 1 352 . 1 1 86 86 VAL H H 1 9.19 0.01 . 1 . . . . 919 . . . 5882 1 353 . 1 1 86 86 VAL N N 15 121.23 0.03 . 1 . . . . 919 . . . 5882 1 354 . 1 1 86 86 VAL CA C 13 61.4 0.2 . 1 . . . . 919 . . . 5882 1 355 . 1 1 86 86 VAL C C 13 174.1 0.2 . 1 . . . . 919 . . . 5882 1 356 . 1 1 86 86 VAL CB C 13 32.6 0.2 . 1 . . . . 919 . . . 5882 1 357 . 1 1 87 87 ALA H H 1 7.45 0.01 . 1 . . . . 920 . . . 5882 1 358 . 1 1 87 87 ALA N N 15 116.39 0.03 . 1 . . . . 920 . . . 5882 1 359 . 1 1 87 87 ALA CA C 13 51.1 0.2 . 1 . . . . 920 . . . 5882 1 360 . 1 1 87 87 ALA C C 13 174.4 0.2 . 1 . . . . 920 . . . 5882 1 361 . 1 1 87 87 ALA CB C 13 21.2 0.2 . 1 . . . . 920 . . . 5882 1 362 . 1 1 88 88 ARG H H 1 8.84 0.01 . 1 . . . . 921 . . . 5882 1 363 . 1 1 88 88 ARG N N 15 121.76 0.03 . 1 . . . . 921 . . . 5882 1 364 . 1 1 88 88 ARG CA C 13 54.5 0.2 . 1 . . . . 921 . . . 5882 1 365 . 1 1 88 88 ARG C C 13 173.7 0.2 . 1 . . . . 921 . . . 5882 1 366 . 1 1 88 88 ARG CB C 13 34.2 0.2 . 1 . . . . 921 . . . 5882 1 367 . 1 1 89 89 VAL H H 1 8.77 0.01 . 1 . . . . 922 . . . 5882 1 368 . 1 1 89 89 VAL N N 15 117.91 0.03 . 1 . . . . 922 . . . 5882 1 369 . 1 1 89 89 VAL CA C 13 59.2 0.2 . 1 . . . . 922 . . . 5882 1 370 . 1 1 89 89 VAL C C 13 174.9 0.2 . 1 . . . . 922 . . . 5882 1 371 . 1 1 89 89 VAL CB C 13 34.0 0.2 . 1 . . . . 922 . . . 5882 1 372 . 1 1 90 90 ASP H H 1 8.38 0.01 . 1 . . . . 923 . . . 5882 1 373 . 1 1 90 90 ASP N N 15 122.36 0.03 . 1 . . . . 923 . . . 5882 1 374 . 1 1 90 90 ASP CA C 13 53.3 0.2 . 1 . . . . 923 . . . 5882 1 375 . 1 1 90 90 ASP C C 13 177.7 0.2 . 1 . . . . 923 . . . 5882 1 376 . 1 1 90 90 ASP CB C 13 41.3 0.2 . 1 . . . . 923 . . . 5882 1 377 . 1 1 91 91 SER H H 1 9.27 0.01 . 1 . . . . 924 . . . 5882 1 378 . 1 1 91 91 SER N N 15 121.43 0.03 . 1 . . . . 924 . . . 5882 1 379 . 1 1 91 91 SER CA C 13 60.5 0.2 . 1 . . . . 924 . . . 5882 1 380 . 1 1 91 91 SER C C 13 175.0 0.2 . 1 . . . . 924 . . . 5882 1 381 . 1 1 91 91 SER CB C 13 62.4 0.2 . 1 . . . . 924 . . . 5882 1 382 . 1 1 92 92 GLY H H 1 8.88 0.01 . 1 . . . . 925 . . . 5882 1 383 . 1 1 92 92 GLY N N 15 109.79 0.03 . 1 . . . . 925 . . . 5882 1 384 . 1 1 92 92 GLY CA C 13 45.0 0.2 . 1 . . . . 925 . . . 5882 1 385 . 1 1 92 92 GLY C C 13 174.8 0.2 . 1 . . . . 925 . . . 5882 1 386 . 1 1 93 93 GLY H H 1 7.39 0.01 . 1 . . . . 926 . . . 5882 1 387 . 1 1 93 93 GLY N N 15 107.18 0.03 . 1 . . . . 926 . . . 5882 1 388 . 1 1 93 93 GLY CA C 13 43.7 0.2 . 1 . . . . 926 . . . 5882 1 389 . 1 1 93 93 GLY C C 13 172.1 0.2 . 1 . . . . 926 . . . 5882 1 390 . 1 1 94 94 TYR H H 1 8.16 0.01 . 1 . . . . 927 . . . 5882 1 391 . 1 1 94 94 TYR N N 15 119.72 0.03 . 1 . . . . 927 . . . 5882 1 392 . 1 1 94 94 TYR CA C 13 57.7 0.2 . 1 . . . . 927 . . . 5882 1 393 . 1 1 94 94 TYR C C 13 174.6 0.2 . 1 . . . . 927 . . . 5882 1 394 . 1 1 94 94 TYR CB C 13 39.9 0.2 . 1 . . . . 927 . . . 5882 1 395 . 1 1 95 95 GLU H H 1 7.80 0.01 . 1 . . . . 928 . . . 5882 1 396 . 1 1 95 95 GLU N N 15 127.70 0.03 . 1 . . . . 928 . . . 5882 1 397 . 1 1 95 95 GLU CA C 13 52.3 0.2 . 1 . . . . 928 . . . 5882 1 398 . 1 1 95 95 GLU C C 13 172.8 0.2 . 1 . . . . 928 . . . 5882 1 399 . 1 1 95 95 GLU CB C 13 30.3 0.2 . 1 . . . . 928 . . . 5882 1 400 . 1 1 96 96 PRO CA C 13 62.2 0.2 . 1 . . . . 929 . . . 5882 1 401 . 1 1 96 96 PRO C C 13 176.5 0.2 . 1 . . . . 929 . . . 5882 1 402 . 1 1 96 96 PRO CB C 13 30.9 0.2 . 1 . . . . 929 . . . 5882 1 403 . 1 1 97 97 GLU H H 1 8.37 0.01 . 1 . . . . 930 . . . 5882 1 404 . 1 1 97 97 GLU N N 15 120.66 0.03 . 1 . . . . 930 . . . 5882 1 405 . 1 1 97 97 GLU CA C 13 56.4 0.2 . 1 . . . . 930 . . . 5882 1 406 . 1 1 97 97 GLU C C 13 177.3 0.2 . 1 . . . . 930 . . . 5882 1 407 . 1 1 97 97 GLU CB C 13 29.1 0.2 . 1 . . . . 930 . . . 5882 1 408 . 1 1 98 98 GLY H H 1 8.39 0.01 . 1 . . . . 931 . . . 5882 1 409 . 1 1 98 98 GLY N N 15 109.70 0.03 . 1 . . . . 931 . . . 5882 1 410 . 1 1 98 98 GLY CA C 13 45.0 0.2 . 1 . . . . 931 . . . 5882 1 411 . 1 1 98 98 GLY C C 13 174.5 0.2 . 1 . . . . 931 . . . 5882 1 412 . 1 1 99 99 LEU H H 1 7.95 0.01 . 1 . . . . 932 . . . 5882 1 413 . 1 1 99 99 LEU N N 15 121.31 0.03 . 1 . . . . 932 . . . 5882 1 414 . 1 1 99 99 LEU CA C 13 55.1 0.2 . 1 . . . . 932 . . . 5882 1 415 . 1 1 99 99 LEU C C 13 177.6 0.2 . 1 . . . . 932 . . . 5882 1 416 . 1 1 99 99 LEU CB C 13 41.1 0.2 . 1 . . . . 932 . . . 5882 1 417 . 1 1 100 100 GLU H H 1 8.46 0.01 . 1 . . . . 933 . . . 5882 1 418 . 1 1 100 100 GLU N N 15 120.40 0.03 . 1 . . . . 933 . . . 5882 1 419 . 1 1 100 100 GLU CA C 13 56.5 0.2 . 1 . . . . 933 . . . 5882 1 420 . 1 1 100 100 GLU C C 13 176.2 0.2 . 1 . . . . 933 . . . 5882 1 421 . 1 1 100 100 GLU CB C 13 29.0 0.2 . 1 . . . . 933 . . . 5882 1 422 . 1 1 101 101 ASN CA C 13 52.9 0.2 . 1 . . . . 934 . . . 5882 1 423 . 1 1 101 101 ASN CB C 13 37.8 0.2 . 1 . . . . 934 . . . 5882 1 424 . 1 1 101 101 ASN CG C 13 177.2 0.2 . 1 . . . . 934 . . . 5882 1 425 . 1 1 101 101 ASN ND2 N 15 112.76 0.03 . 1 . . . . 934 . . . 5882 1 426 . 1 1 101 101 ASN HD21 H 1 7.50 0.01 . 2 . . . . 934 . . . 5882 1 427 . 1 1 101 101 ASN HD22 H 1 6.83 0.01 . 2 . . . . 934 . . . 5882 1 428 . 1 1 102 102 LYS H H 1 7.95 0.01 . 1 . . . . 935 . . . 5882 1 429 . 1 1 102 102 LYS N N 15 121.98 0.03 . 1 . . . . 935 . . . 5882 1 430 . 1 1 102 102 LYS CA C 13 53.9 0.2 . 1 . . . . 935 . . . 5882 1 431 . 1 1 102 102 LYS C C 13 174.4 0.2 . 1 . . . . 935 . . . 5882 1 432 . 1 1 102 102 LYS CB C 13 31.5 0.2 . 1 . . . . 935 . . . 5882 1 433 . 1 1 103 103 PRO CA C 13 62.8 0.2 . 1 . . . . 936 . . . 5882 1 434 . 1 1 103 103 PRO C C 13 177.0 0.2 . 1 . . . . 936 . . . 5882 1 435 . 1 1 103 103 PRO CB C 13 31.0 0.2 . 1 . . . . 936 . . . 5882 1 436 . 1 1 104 104 VAL H H 1 8.04 0.01 . 1 . . . . 937 . . . 5882 1 437 . 1 1 104 104 VAL N N 15 119.65 0.03 . 1 . . . . 937 . . . 5882 1 438 . 1 1 104 104 VAL CA C 13 61.9 0.2 . 1 . . . . 937 . . . 5882 1 439 . 1 1 104 104 VAL C C 13 176.1 0.2 . 1 . . . . 937 . . . 5882 1 440 . 1 1 104 104 VAL CB C 13 31.7 0.2 . 1 . . . . 937 . . . 5882 1 441 . 1 1 105 105 ALA H H 1 8.19 0.01 . 1 . . . . 938 . . . 5882 1 442 . 1 1 105 105 ALA N N 15 126.34 0.03 . 1 . . . . 938 . . . 5882 1 443 . 1 1 105 105 ALA CA C 13 52.1 0.2 . 1 . . . . 938 . . . 5882 1 444 . 1 1 105 105 ALA C C 13 177.6 0.2 . 1 . . . . 938 . . . 5882 1 445 . 1 1 105 105 ALA CB C 13 19.6 0.2 . 1 . . . . 938 . . . 5882 1 446 . 1 1 106 106 GLU H H 1 8.24 0.01 . 1 . . . . 939 . . . 5882 1 447 . 1 1 106 106 GLU N N 15 119.03 0.03 . 1 . . . . 939 . . . 5882 1 448 . 1 1 106 106 GLU CA C 13 56.4 0.2 . 1 . . . . 939 . . . 5882 1 449 . 1 1 106 106 GLU C C 13 177.6 0.2 . 1 . . . . 939 . . . 5882 1 450 . 1 1 106 106 GLU CB C 13 28.9 0.2 . 1 . . . . 939 . . . 5882 1 451 . 1 1 107 107 SER CA C 13 57.5 0.2 . 1 . . . . 940 . . . 5882 1 452 . 1 1 107 107 SER C C 13 173.4 0.2 . 1 . . . . 940 . . . 5882 1 453 . 1 1 107 107 SER CB C 13 64.2 0.2 . 1 . . . . 940 . . . 5882 1 454 . 1 1 108 108 GLN H H 1 7.64 0.01 . 1 . . . . 941 . . . 5882 1 455 . 1 1 108 108 GLN N N 15 122.93 0.03 . 1 . . . . 941 . . . 5882 1 456 . 1 1 108 108 GLN CA C 13 53.4 0.2 . 1 . . . . 941 . . . 5882 1 457 . 1 1 108 108 GLN C C 13 173.4 0.2 . 1 . . . . 941 . . . 5882 1 458 . 1 1 108 108 GLN CB C 13 29.3 0.2 . 1 . . . . 941 . . . 5882 1 459 . 1 1 108 108 GLN CG C 13 33.0 0.2 . 1 . . . . 941 . . . 5882 1 460 . 1 1 108 108 GLN NE2 N 15 114.27 0.03 . 1 . . . . 941 . . . 5882 1 461 . 1 1 108 108 GLN HE21 H 1 7.69 0.01 . 2 . . . . 941 . . . 5882 1 462 . 1 1 108 108 GLN HE22 H 1 6.95 0.01 . 2 . . . . 941 . . . 5882 1 463 . 1 1 109 109 PRO CA C 13 62.5 0.2 . 1 . . . . 942 . . . 5882 1 464 . 1 1 109 109 PRO C C 13 176.6 0.2 . 1 . . . . 942 . . . 5882 1 465 . 1 1 109 109 PRO CB C 13 30.7 0.2 . 1 . . . . 942 . . . 5882 1 466 . 1 1 110 110 SER H H 1 8.45 0.01 . 1 . . . . 943 . . . 5882 1 467 . 1 1 110 110 SER N N 15 117.49 0.03 . 1 . . . . 943 . . . 5882 1 468 . 1 1 110 110 SER CA C 13 56.2 0.2 . 1 . . . . 943 . . . 5882 1 469 . 1 1 110 110 SER CB C 13 63.4 0.2 . 1 . . . . 943 . . . 5882 1 470 . 1 1 111 111 PRO CA C 13 62.4 0.2 . 1 . . . . 944 . . . 5882 1 471 . 1 1 111 111 PRO C C 13 177.0 0.2 . 1 . . . . 944 . . . 5882 1 472 . 1 1 111 111 PRO CB C 13 31.2 0.2 . 1 . . . . 944 . . . 5882 1 473 . 1 1 112 112 GLY H H 1 7.99 0.01 . 1 . . . . 945 . . . 5882 1 474 . 1 1 112 112 GLY N N 15 106.44 0.03 . 1 . . . . 945 . . . 5882 1 475 . 1 1 112 112 GLY CA C 13 45.0 0.2 . 1 . . . . 945 . . . 5882 1 476 . 1 1 112 112 GLY C C 13 175.6 0.2 . 1 . . . . 945 . . . 5882 1 477 . 1 1 113 113 THR H H 1 8.50 0.01 . 1 . . . . 946 . . . 5882 1 478 . 1 1 113 113 THR N N 15 111.27 0.03 . 1 . . . . 946 . . . 5882 1 479 . 1 1 113 113 THR CA C 13 60.7 0.2 . 1 . . . . 946 . . . 5882 1 480 . 1 1 113 113 THR C C 13 172.6 0.2 . 1 . . . . 946 . . . 5882 1 481 . 1 1 113 113 THR CB C 13 69.3 0.2 . 1 . . . . 946 . . . 5882 1 482 . 1 1 114 114 LEU H H 1 7.63 0.01 . 1 . . . . 947 . . . 5882 1 483 . 1 1 114 114 LEU N N 15 123.50 0.03 . 1 . . . . 947 . . . 5882 1 484 . 1 1 114 114 LEU CA C 13 53.4 0.2 . 1 . . . . 947 . . . 5882 1 485 . 1 1 114 114 LEU C C 13 175.3 0.2 . 1 . . . . 947 . . . 5882 1 486 . 1 1 114 114 LEU CB C 13 45.1 0.2 . 1 . . . . 947 . . . 5882 1 487 . 1 1 115 115 GLY H H 1 9.13 0.01 . 1 . . . . 948 . . . 5882 1 488 . 1 1 115 115 GLY N N 15 111.15 0.03 . 1 . . . . 948 . . . 5882 1 489 . 1 1 115 115 GLY CA C 13 43.6 0.2 . 1 . . . . 948 . . . 5882 1 490 . 1 1 115 115 GLY C C 13 170.1 0.2 . 1 . . . . 948 . . . 5882 1 491 . 1 1 116 116 VAL H H 1 8.24 0.01 . 1 . . . . 949 . . . 5882 1 492 . 1 1 116 116 VAL N N 15 122.60 0.03 . 1 . . . . 949 . . . 5882 1 493 . 1 1 116 116 VAL CA C 13 60.1 0.2 . 1 . . . . 949 . . . 5882 1 494 . 1 1 116 116 VAL C C 13 174.2 0.2 . 1 . . . . 949 . . . 5882 1 495 . 1 1 116 116 VAL CB C 13 35.6 0.2 . 1 . . . . 949 . . . 5882 1 496 . 1 1 117 117 PHE H H 1 8.93 0.01 . 1 . . . . 950 . . . 5882 1 497 . 1 1 117 117 PHE N N 15 119.63 0.03 . 1 . . . . 950 . . . 5882 1 498 . 1 1 117 117 PHE CA C 13 55.9 0.2 . 1 . . . . 950 . . . 5882 1 499 . 1 1 117 117 PHE C C 13 176.5 0.2 . 1 . . . . 950 . . . 5882 1 500 . 1 1 117 117 PHE CB C 13 40.3 0.2 . 1 . . . . 950 . . . 5882 1 501 . 1 1 118 118 SER H H 1 9.04 0.01 . 1 . . . . 951 . . . 5882 1 502 . 1 1 118 118 SER N N 15 116.77 0.03 . 1 . . . . 951 . . . 5882 1 503 . 1 1 118 118 SER CA C 13 58.2 0.2 . 1 . . . . 951 . . . 5882 1 504 . 1 1 118 118 SER C C 13 172.5 0.2 . 1 . . . . 951 . . . 5882 1 505 . 1 1 118 118 SER CB C 13 61.9 0.2 . 1 . . . . 951 . . . 5882 1 506 . 1 1 119 119 LEU H H 1 8.74 0.01 . 1 . . . . 952 . . . 5882 1 507 . 1 1 119 119 LEU N N 15 126.19 0.03 . 1 . . . . 952 . . . 5882 1 508 . 1 1 119 119 LEU CA C 13 55.0 0.2 . 1 . . . . 952 . . . 5882 1 509 . 1 1 119 119 LEU C C 13 172.7 0.2 . 1 . . . . 952 . . . 5882 1 510 . 1 1 119 119 LEU CB C 13 40.8 0.2 . 1 . . . . 952 . . . 5882 1 511 . 1 1 120 120 ILE H H 1 6.61 0.01 . 1 . . . . 953 . . . 5882 1 512 . 1 1 120 120 ILE N N 15 117.66 0.03 . 1 . . . . 953 . . . 5882 1 513 . 1 1 120 120 ILE CA C 13 59.1 0.2 . 1 . . . . 953 . . . 5882 1 514 . 1 1 120 120 ILE C C 13 174.1 0.2 . 1 . . . . 953 . . . 5882 1 515 . 1 1 120 120 ILE CB C 13 38.7 0.2 . 1 . . . . 953 . . . 5882 1 516 . 1 1 121 121 LEU H H 1 8.67 0.01 . 1 . . . . 954 . . . 5882 1 517 . 1 1 121 121 LEU N N 15 121.43 0.03 . 1 . . . . 954 . . . 5882 1 518 . 1 1 121 121 LEU CA C 13 49.9 0.2 . 1 . . . . 954 . . . 5882 1 519 . 1 1 121 121 LEU CB C 13 45.3 0.2 . 1 . . . . 954 . . . 5882 1 520 . 1 1 122 122 PRO CA C 13 61.3 0.2 . 1 . . . . 955 . . . 5882 1 521 . 1 1 122 122 PRO C C 13 175.5 0.2 . 1 . . . . 955 . . . 5882 1 522 . 1 1 122 122 PRO CB C 13 30.1 0.2 . 1 . . . . 955 . . . 5882 1 523 . 1 1 123 123 LEU H H 1 9.14 0.01 . 1 . . . . 956 . . . 5882 1 524 . 1 1 123 123 LEU N N 15 123.19 0.03 . 1 . . . . 956 . . . 5882 1 525 . 1 1 123 123 LEU CA C 13 52.8 0.2 . 1 . . . . 956 . . . 5882 1 526 . 1 1 123 123 LEU C C 13 177.1 0.2 . 1 . . . . 956 . . . 5882 1 527 . 1 1 123 123 LEU CB C 13 42.1 0.2 . 1 . . . . 956 . . . 5882 1 528 . 1 1 124 124 GLN H H 1 9.23 0.01 . 1 . . . . 957 . . . 5882 1 529 . 1 1 124 124 GLN N N 15 121.82 0.03 . 1 . . . . 957 . . . 5882 1 530 . 1 1 124 124 GLN CA C 13 53.3 0.2 . 1 . . . . 957 . . . 5882 1 531 . 1 1 124 124 GLN C C 13 176.1 0.2 . 1 . . . . 957 . . . 5882 1 532 . 1 1 124 124 GLN CB C 13 28.9 0.2 . 1 . . . . 957 . . . 5882 1 533 . 1 1 124 124 GLN CG C 13 33.3 0.2 . 1 . . . . 957 . . . 5882 1 534 . 1 1 124 124 GLN CD C 13 180.8 0.2 . 1 . . . . 957 . . . 5882 1 535 . 1 1 124 124 GLN NE2 N 15 113.28 0.03 . 1 . . . . 957 . . . 5882 1 536 . 1 1 124 124 GLN HE21 H 1 7.59 0.01 . 2 . . . . 957 . . . 5882 1 537 . 1 1 124 124 GLN HE22 H 1 6.84 0.01 . 2 . . . . 957 . . . 5882 1 538 . 1 1 125 125 ALA H H 1 8.20 0.01 . 1 . . . . 958 . . . 5882 1 539 . 1 1 125 125 ALA N N 15 122.12 0.03 . 1 . . . . 958 . . . 5882 1 540 . 1 1 125 125 ALA CA C 13 53.2 0.2 . 1 . . . . 958 . . . 5882 1 541 . 1 1 125 125 ALA C C 13 178.9 0.2 . 1 . . . . 958 . . . 5882 1 542 . 1 1 125 125 ALA CB C 13 17.3 0.2 . 1 . . . . 958 . . . 5882 1 543 . 1 1 126 126 GLY H H 1 8.99 0.01 . 1 . . . . 959 . . . 5882 1 544 . 1 1 126 126 GLY N N 15 112.43 0.03 . 1 . . . . 959 . . . 5882 1 545 . 1 1 126 126 GLY CA C 13 44.3 0.2 . 1 . . . . 959 . . . 5882 1 546 . 1 1 126 126 GLY C C 13 174.8 0.2 . 1 . . . . 959 . . . 5882 1 547 . 1 1 127 127 ASP H H 1 7.92 0.01 . 1 . . . . 960 . . . 5882 1 548 . 1 1 127 127 ASP N N 15 120.66 0.03 . 1 . . . . 960 . . . 5882 1 549 . 1 1 127 127 ASP CA C 13 55.0 0.2 . 1 . . . . 960 . . . 5882 1 550 . 1 1 127 127 ASP C C 13 175.2 0.2 . 1 . . . . 960 . . . 5882 1 551 . 1 1 127 127 ASP CB C 13 41.1 0.2 . 1 . . . . 960 . . . 5882 1 552 . 1 1 128 128 THR H H 1 7.51 0.01 . 1 . . . . 961 . . . 5882 1 553 . 1 1 128 128 THR N N 15 107.93 0.03 . 1 . . . . 961 . . . 5882 1 554 . 1 1 128 128 THR CA C 13 57.5 0.2 . 1 . . . . 961 . . . 5882 1 555 . 1 1 128 128 THR C C 13 175.6 0.2 . 1 . . . . 961 . . . 5882 1 556 . 1 1 128 128 THR CB C 13 70.6 0.2 . 1 . . . . 961 . . . 5882 1 557 . 1 1 129 129 VAL H H 1 9.45 0.01 . 1 . . . . 962 . . . 5882 1 558 . 1 1 129 129 VAL N N 15 120.48 0.03 . 1 . . . . 962 . . . 5882 1 559 . 1 1 129 129 VAL CA C 13 60.1 0.2 . 1 . . . . 962 . . . 5882 1 560 . 1 1 129 129 VAL C C 13 174.2 0.2 . 1 . . . . 962 . . . 5882 1 561 . 1 1 129 129 VAL CB C 13 34.7 0.2 . 1 . . . . 962 . . . 5882 1 562 . 1 1 130 130 CYS H H 1 8.58 0.01 . 1 . . . . 963 . . . 5882 1 563 . 1 1 130 130 CYS N N 15 119.83 0.03 . 1 . . . . 963 . . . 5882 1 564 . 1 1 130 130 CYS CA C 13 55.3 0.2 . 1 . . . . 963 . . . 5882 1 565 . 1 1 130 130 CYS C C 13 170.4 0.2 . 1 . . . . 963 . . . 5882 1 566 . 1 1 130 130 CYS CB C 13 31.2 0.2 . 1 . . . . 963 . . . 5882 1 567 . 1 1 131 131 VAL H H 1 9.85 0.01 . 1 . . . . 964 . . . 5882 1 568 . 1 1 131 131 VAL N N 15 121.19 0.03 . 1 . . . . 964 . . . 5882 1 569 . 1 1 131 131 VAL CA C 13 61.3 0.2 . 1 . . . . 964 . . . 5882 1 570 . 1 1 131 131 VAL C C 13 173.3 0.2 . 1 . . . . 964 . . . 5882 1 571 . 1 1 131 131 VAL CB C 13 31.9 0.2 . 1 . . . . 964 . . . 5882 1 572 . 1 1 132 132 ASP H H 1 9.32 0.01 . 1 . . . . 965 . . . 5882 1 573 . 1 1 132 132 ASP N N 15 127.10 0.03 . 1 . . . . 965 . . . 5882 1 574 . 1 1 132 132 ASP CA C 13 52.1 0.2 . 1 . . . . 965 . . . 5882 1 575 . 1 1 132 132 ASP C C 13 175.4 0.2 . 1 . . . . 965 . . . 5882 1 576 . 1 1 132 132 ASP CB C 13 40.5 0.2 . 1 . . . . 965 . . . 5882 1 577 . 1 1 133 133 LEU H H 1 8.64 0.01 . 1 . . . . 966 . . . 5882 1 578 . 1 1 133 133 LEU N N 15 126.77 0.03 . 1 . . . . 966 . . . 5882 1 579 . 1 1 133 133 LEU CA C 13 54.9 0.2 . 1 . . . . 966 . . . 5882 1 580 . 1 1 133 133 LEU C C 13 176.1 0.2 . 1 . . . . 966 . . . 5882 1 581 . 1 1 133 133 LEU CB C 13 42.9 0.2 . 1 . . . . 966 . . . 5882 1 582 . 1 1 134 134 VAL H H 1 8.98 0.01 . 1 . . . . 967 . . . 5882 1 583 . 1 1 134 134 VAL N N 15 128.46 0.03 . 1 . . . . 967 . . . 5882 1 584 . 1 1 134 134 VAL CA C 13 63.9 0.2 . 1 . . . . 967 . . . 5882 1 585 . 1 1 134 134 VAL C C 13 175.2 0.2 . 1 . . . . 967 . . . 5882 1 586 . 1 1 134 134 VAL CB C 13 32.3 0.2 . 1 . . . . 967 . . . 5882 1 587 . 1 1 135 135 MET H H 1 7.98 0.01 . 1 . . . . 968 . . . 5882 1 588 . 1 1 135 135 MET N N 15 116.05 0.03 . 1 . . . . 968 . . . 5882 1 589 . 1 1 135 135 MET CA C 13 55.0 0.2 . 1 . . . . 968 . . . 5882 1 590 . 1 1 135 135 MET C C 13 173.5 0.2 . 1 . . . . 968 . . . 5882 1 591 . 1 1 135 135 MET CB C 13 35.1 0.2 . 1 . . . . 968 . . . 5882 1 592 . 1 1 136 136 GLY H H 1 8.05 0.01 . 1 . . . . 969 . . . 5882 1 593 . 1 1 136 136 GLY N N 15 108.68 0.03 . 1 . . . . 969 . . . 5882 1 594 . 1 1 136 136 GLY CA C 13 43.6 0.2 . 1 . . . . 969 . . . 5882 1 595 . 1 1 136 136 GLY C C 13 172.2 0.2 . 1 . . . . 969 . . . 5882 1 596 . 1 1 137 137 GLN H H 1 7.95 0.01 . 1 . . . . 970 . . . 5882 1 597 . 1 1 137 137 GLN N N 15 114.94 0.03 . 1 . . . . 970 . . . 5882 1 598 . 1 1 137 137 GLN CA C 13 53.8 0.2 . 1 . . . . 970 . . . 5882 1 599 . 1 1 137 137 GLN C C 13 175.1 0.2 . 1 . . . . 970 . . . 5882 1 600 . 1 1 137 137 GLN CB C 13 30.1 0.2 . 1 . . . . 970 . . . 5882 1 601 . 1 1 138 138 LEU H H 1 7.90 0.01 . 1 . . . . 971 . . . 5882 1 602 . 1 1 138 138 LEU N N 15 118.52 0.03 . 1 . . . . 971 . . . 5882 1 603 . 1 1 138 138 LEU CA C 13 52.8 0.2 . 1 . . . . 971 . . . 5882 1 604 . 1 1 138 138 LEU C C 13 176.7 0.2 . 1 . . . . 971 . . . 5882 1 605 . 1 1 138 138 LEU CB C 13 42.7 0.2 . 1 . . . . 971 . . . 5882 1 606 . 1 1 139 139 ALA H H 1 9.26 0.01 . 1 . . . . 972 . . . 5882 1 607 . 1 1 139 139 ALA N N 15 123.33 0.03 . 1 . . . . 972 . . . 5882 1 608 . 1 1 139 139 ALA CA C 13 52.2 0.2 . 1 . . . . 972 . . . 5882 1 609 . 1 1 139 139 ALA C C 13 176.0 0.2 . 1 . . . . 972 . . . 5882 1 610 . 1 1 139 139 ALA CB C 13 20.2 0.2 . 1 . . . . 972 . . . 5882 1 611 . 1 1 140 140 HIS H H 1 7.66 0.01 . 1 . . . . 973 . . . 5882 1 612 . 1 1 140 140 HIS N N 15 123.02 0.03 . 1 . . . . 973 . . . 5882 1 613 . 1 1 140 140 HIS CA C 13 53.9 0.2 . 1 . . . . 973 . . . 5882 1 614 . 1 1 140 140 HIS C C 13 172.4 0.2 . 1 . . . . 973 . . . 5882 1 615 . 1 1 140 140 HIS CB C 13 32.5 0.2 . 1 . . . . 973 . . . 5882 1 616 . 1 1 141 141 SER H H 1 7.30 0.01 . 1 . . . . 974 . . . 5882 1 617 . 1 1 141 141 SER N N 15 112.05 0.03 . 1 . . . . 974 . . . 5882 1 618 . 1 1 141 141 SER CA C 13 57.2 0.2 . 1 . . . . 974 . . . 5882 1 619 . 1 1 141 141 SER C C 13 173.6 0.2 . 1 . . . . 974 . . . 5882 1 620 . 1 1 141 141 SER CB C 13 62.9 0.2 . 1 . . . . 974 . . . 5882 1 621 . 1 1 142 142 GLU H H 1 8.44 0.01 . 1 . . . . 975 . . . 5882 1 622 . 1 1 142 142 GLU N N 15 123.56 0.03 . 1 . . . . 975 . . . 5882 1 623 . 1 1 142 142 GLU CA C 13 58.5 0.2 . 1 . . . . 975 . . . 5882 1 624 . 1 1 142 142 GLU C C 13 177.1 0.2 . 1 . . . . 975 . . . 5882 1 625 . 1 1 142 142 GLU CB C 13 28.3 0.2 . 1 . . . . 975 . . . 5882 1 626 . 1 1 143 143 GLU H H 1 7.64 0.01 . 1 . . . . 976 . . . 5882 1 627 . 1 1 143 143 GLU N N 15 119.35 0.03 . 1 . . . . 976 . . . 5882 1 628 . 1 1 143 143 GLU CA C 13 53.0 0.2 . 1 . . . . 976 . . . 5882 1 629 . 1 1 143 143 GLU C C 13 174.0 0.2 . 1 . . . . 976 . . . 5882 1 630 . 1 1 143 143 GLU CB C 13 28.5 0.2 . 1 . . . . 976 . . . 5882 1 631 . 1 1 144 144 PRO CA C 13 62.2 0.2 . 1 . . . . 977 . . . 5882 1 632 . 1 1 144 144 PRO C C 13 177.3 0.2 . 1 . . . . 977 . . . 5882 1 633 . 1 1 144 144 PRO CB C 13 30.9 0.2 . 1 . . . . 977 . . . 5882 1 634 . 1 1 145 145 LEU H H 1 8.19 0.01 . 1 . . . . 978 . . . 5882 1 635 . 1 1 145 145 LEU N N 15 120.53 0.03 . 1 . . . . 978 . . . 5882 1 636 . 1 1 145 145 LEU CA C 13 54.5 0.2 . 1 . . . . 978 . . . 5882 1 637 . 1 1 145 145 LEU C C 13 173.6 0.2 . 1 . . . . 978 . . . 5882 1 638 . 1 1 145 145 LEU CB C 13 44.1 0.2 . 1 . . . . 978 . . . 5882 1 639 . 1 1 146 146 THR H H 1 8.28 0.01 . 1 . . . . 979 . . . 5882 1 640 . 1 1 146 146 THR N N 15 120.74 0.03 . 1 . . . . 979 . . . 5882 1 641 . 1 1 146 146 THR CA C 13 61.5 0.2 . 1 . . . . 979 . . . 5882 1 642 . 1 1 146 146 THR C C 13 174.3 0.2 . 1 . . . . 979 . . . 5882 1 643 . 1 1 146 146 THR CB C 13 71.5 0.2 . 1 . . . . 979 . . . 5882 1 644 . 1 1 147 147 ILE H H 1 9.34 0.01 . 1 . . . . 980 . . . 5882 1 645 . 1 1 147 147 ILE N N 15 127.59 0.03 . 1 . . . . 980 . . . 5882 1 646 . 1 1 147 147 ILE CA C 13 60.6 0.2 . 1 . . . . 980 . . . 5882 1 647 . 1 1 147 147 ILE C C 13 171.9 0.2 . 1 . . . . 980 . . . 5882 1 648 . 1 1 147 147 ILE CB C 13 43.1 0.2 . 1 . . . . 980 . . . 5882 1 649 . 1 1 148 148 PHE H H 1 8.85 0.01 . 1 . . . . 981 . . . 5882 1 650 . 1 1 148 148 PHE N N 15 129.39 0.03 . 1 . . . . 981 . . . 5882 1 651 . 1 1 148 148 PHE CA C 13 52.8 0.2 . 1 . . . . 981 . . . 5882 1 652 . 1 1 148 148 PHE C C 13 173.1 0.2 . 1 . . . . 981 . . . 5882 1 653 . 1 1 148 148 PHE CB C 13 40.5 0.2 . 1 . . . . 981 . . . 5882 1 654 . 1 1 149 149 SER H H 1 9.21 0.01 . 1 . . . . 982 . . . 5882 1 655 . 1 1 149 149 SER N N 15 120.72 0.03 . 1 . . . . 982 . . . 5882 1 656 . 1 1 149 149 SER CA C 13 56.2 0.2 . 1 . . . . 982 . . . 5882 1 657 . 1 1 149 149 SER C C 13 170.4 0.2 . 1 . . . . 982 . . . 5882 1 658 . 1 1 149 149 SER CB C 13 66.2 0.2 . 1 . . . . 982 . . . 5882 1 659 . 1 1 150 150 GLY H H 1 6.79 0.01 . 1 . . . . 983 . . . 5882 1 660 . 1 1 150 150 GLY N N 15 106.09 0.03 . 1 . . . . 983 . . . 5882 1 661 . 1 1 150 150 GLY CA C 13 44.6 0.2 . 1 . . . . 983 . . . 5882 1 662 . 1 1 150 150 GLY C C 13 171.2 0.2 . 1 . . . . 983 . . . 5882 1 663 . 1 1 151 151 ALA H H 1 8.66 0.01 . 1 . . . . 984 . . . 5882 1 664 . 1 1 151 151 ALA N N 15 116.86 0.03 . 1 . . . . 984 . . . 5882 1 665 . 1 1 151 151 ALA CA C 13 51.0 0.2 . 1 . . . . 984 . . . 5882 1 666 . 1 1 151 151 ALA C C 13 175.7 0.2 . 1 . . . . 984 . . . 5882 1 667 . 1 1 151 151 ALA CB C 13 22.2 0.2 . 1 . . . . 984 . . . 5882 1 668 . 1 1 152 152 LEU H H 1 8.27 0.01 . 1 . . . . 985 . . . 5882 1 669 . 1 1 152 152 LEU N N 15 122.84 0.03 . 1 . . . . 985 . . . 5882 1 670 . 1 1 152 152 LEU CA C 13 54.4 0.2 . 1 . . . . 985 . . . 5882 1 671 . 1 1 152 152 LEU C C 13 175.0 0.2 . 1 . . . . 985 . . . 5882 1 672 . 1 1 152 152 LEU CB C 13 41.4 0.2 . 1 . . . . 985 . . . 5882 1 673 . 1 1 153 153 LEU H H 1 8.70 0.01 . 1 . . . . 986 . . . 5882 1 674 . 1 1 153 153 LEU N N 15 127.98 0.03 . 1 . . . . 986 . . . 5882 1 675 . 1 1 153 153 LEU CA C 13 55.9 0.2 . 1 . . . . 986 . . . 5882 1 676 . 1 1 153 153 LEU C C 13 176.7 0.2 . 1 . . . . 986 . . . 5882 1 677 . 1 1 153 153 LEU CB C 13 41.0 0.2 . 1 . . . . 986 . . . 5882 1 678 . 1 1 154 154 TYR H H 1 6.58 0.01 . 1 . . . . 987 . . . 5882 1 679 . 1 1 154 154 TYR N N 15 108.79 0.03 . 1 . . . . 987 . . . 5882 1 680 . 1 1 154 154 TYR CA C 13 55.8 0.2 . 1 . . . . 987 . . . 5882 1 681 . 1 1 154 154 TYR C C 13 174.0 0.2 . 1 . . . . 987 . . . 5882 1 682 . 1 1 154 154 TYR CB C 13 37.7 0.2 . 1 . . . . 987 . . . 5882 1 683 . 1 1 155 155 GLY H H 1 8.85 0.01 . 1 . . . . 988 . . . 5882 1 684 . 1 1 155 155 GLY N N 15 107.24 0.03 . 1 . . . . 988 . . . 5882 1 685 . 1 1 155 155 GLY CA C 13 43.5 0.2 . 1 . . . . 988 . . . 5882 1 686 . 1 1 155 155 GLY C C 13 172.7 0.2 . 1 . . . . 988 . . . 5882 1 687 . 1 1 156 156 ASP H H 1 7.78 0.01 . 1 . . . . 989 . . . 5882 1 688 . 1 1 156 156 ASP N N 15 122.21 0.03 . 1 . . . . 989 . . . 5882 1 689 . 1 1 156 156 ASP CA C 13 52.3 0.2 . 1 . . . . 989 . . . 5882 1 690 . 1 1 156 156 ASP C C 13 175.8 0.2 . 1 . . . . 989 . . . 5882 1 691 . 1 1 156 156 ASP CB C 13 39.9 0.2 . 1 . . . . 989 . . . 5882 1 692 . 1 1 157 157 PRO CA C 13 63.2 0.2 . 1 . . . . 990 . . . 5882 1 693 . 1 1 157 157 PRO C C 13 177.3 0.2 . 1 . . . . 990 . . . 5882 1 694 . 1 1 157 157 PRO CB C 13 31.2 0.2 . 1 . . . . 990 . . . 5882 1 695 . 1 1 158 158 GLU H H 1 8.50 0.01 . 1 . . . . 991 . . . 5882 1 696 . 1 1 158 158 GLU N N 15 119.44 0.03 . 1 . . . . 991 . . . 5882 1 697 . 1 1 158 158 GLU CA C 13 56.3 0.2 . 1 . . . . 991 . . . 5882 1 698 . 1 1 158 158 GLU C C 13 176.7 0.2 . 1 . . . . 991 . . . 5882 1 699 . 1 1 158 158 GLU CB C 13 28.9 0.2 . 1 . . . . 991 . . . 5882 1 700 . 1 1 159 159 LEU H H 1 7.84 0.01 . 1 . . . . 992 . . . 5882 1 701 . 1 1 159 159 LEU N N 15 121.37 0.03 . 1 . . . . 992 . . . 5882 1 702 . 1 1 159 159 LEU CA C 13 54.8 0.2 . 1 . . . . 992 . . . 5882 1 703 . 1 1 159 159 LEU C C 13 177.3 0.2 . 1 . . . . 992 . . . 5882 1 704 . 1 1 159 159 LEU CB C 13 41.4 0.2 . 1 . . . . 992 . . . 5882 1 705 . 1 1 160 160 GLU H H 1 8.08 0.01 . 1 . . . . 993 . . . 5882 1 706 . 1 1 160 160 GLU N N 15 120.60 0.03 . 1 . . . . 993 . . . 5882 1 707 . 1 1 160 160 GLU CA C 13 56.2 0.2 . 1 . . . . 993 . . . 5882 1 708 . 1 1 160 160 GLU C C 13 176.0 0.2 . 1 . . . . 993 . . . 5882 1 709 . 1 1 160 160 GLU CB C 13 29.2 0.2 . 1 . . . . 993 . . . 5882 1 710 . 1 1 161 161 HIS CA C 13 55.3 0.2 . 1 . . . . 994 . . . 5882 1 711 . 1 1 161 161 HIS C C 13 173.9 0.2 . 1 . . . . 994 . . . 5882 1 712 . 1 1 161 161 HIS CB C 13 29.7 0.2 . 1 . . . . 994 . . . 5882 1 713 . 1 1 162 162 ALA H H 1 7.87 0.01 . 1 . . . . 995 . . . 5882 1 714 . 1 1 162 162 ALA N N 15 130.54 0.03 . 1 . . . . 995 . . . 5882 1 715 . 1 1 162 162 ALA CA C 13 53.3 0.2 . 1 . . . . 995 . . . 5882 1 716 . 1 1 162 162 ALA C C 13 170.2 0.2 . 1 . . . . 995 . . . 5882 1 717 . 1 1 162 162 ALA CB C 13 20.1 0.2 . 1 . . . . 995 . . . 5882 1 stop_ save_