data_19739 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19739 _Entry.Title ; Structural Insights into Calcium Bound S100P - V Domain of the receptor for advanced glycation end products (RAGE) Complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-01-19 _Entry.Accession_date 2014-01-19 _Entry.Last_release_date 2014-11-03 _Entry.Original_release_date 2014-11-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details NMR _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 Srinivasa Penumutchu . Rao . 19739 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19739 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'S100P V Domain of RAGE' . 19739 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19739 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 214 19739 '15N chemical shifts' 81 19739 '1H chemical shifts' 443 19739 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-11-03 2014-01-19 original author . 19739 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2mjw 'BMRB Entry Tracking System' 19739 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19739 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25084534 _Citation.Full_citation . _Citation.Title 'Structural insights into calcium-bound S100P and the V domain of the RAGE complex' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 8 _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 e103947 _Citation.Page_last e103947 _Citation.Year 2014 _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 Srinivasa Penumutchu . Rao . 19739 1 2 Ruey-Hwang Chou . . . 19739 1 3 Chin Yu . . . 19739 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19739 _Assembly.ID 1 _Assembly.Name 'Calcium Bound S100P - V Domain of RAGE complex' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 . _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 'V-domain of Rage_1' 1 $entity_1 A . yes native no no . . . 19739 1 2 'V-domain of Rage_2' 1 $entity_1 B . yes native no no . . . 19739 1 3 'Calcium Bound S100P' 2 $entity_2 C . no native no no . . . 19739 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19739 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AMAQNITARIGEPLVLKCKG APKKPPQRLEWKLNTGRTEA WKVLSPQGGGPWDSVARVLP NGSLFLPAVGIQDEGIFRCQ AMNRNGKETKSNYRVRVYQI P ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11217.104 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17378 . V_domain . . . . . 98.02 105 100.00 100.00 6.61e-65 . . . . 19739 1 2 no BMRB 19953 . V_domain . . . . . 98.02 105 100.00 100.00 6.61e-65 . . . . 19739 1 3 no PDB 2E5E . "Solution Structure Of Variable-Type Domain Of Human Receptor For Advanced Glycation Endproducts" . . . . . 100.00 101 100.00 100.00 1.51e-66 . . . . 19739 1 4 no PDB 2L7U . "Structure Of Cel-pep-rage V Domain Complex" . . . . . 98.02 105 100.00 100.00 6.61e-65 . . . . 19739 1 5 no PDB 2M1K . "Interaction Of Human S100a6 (c3s) With V Domain Of Receptor For Advanced Glycation End Products (rage)" . . . . . 100.00 101 100.00 100.00 1.51e-66 . . . . 19739 1 6 no PDB 2MJW . "Structural Insights Into Calcium Bound S100p - V Domain Of The Receptor For Advanced Glycation End Products (rage) Complex" . . . . . 100.00 101 100.00 100.00 1.51e-66 . . . . 19739 1 7 no PDB 2MOV . "Receptor For Advanced Glycation End Products (rage) Specifically Recognizes Methylglyoxal Derived Ages" . . . . . 98.02 105 100.00 100.00 6.61e-65 . . . . 19739 1 8 no PDB 3CJJ . "Crystal Structure Of Human Rage Ligand-Binding Domain" . . . . . 99.01 219 100.00 100.00 7.63e-65 . . . . 19739 1 9 no PDB 3O3U . "Crystal Structure Of Human Receptor For Advanced Glycation Endproducts (Rage)" . . . . . 100.00 581 99.01 99.01 7.60e-62 . . . . 19739 1 10 no PDB 4LP4 . "Crystal Structure Of The Human Rage Vc1 Fragment In Space Group P62" . . . . . 100.00 212 100.00 100.00 1.62e-65 . . . . 19739 1 11 no PDB 4LP5 . "Crystal Structure Of The Full-length Human Rage Extracellular Domain (vc1c2 Fragment)" . . . . . 100.00 304 100.00 100.00 7.99e-65 . . . . 19739 1 12 no PDB 4OF5 . "Refinement Of Rage-dna Complex In 3s59 Without Dna" . . . . . 98.02 223 100.00 100.00 4.68e-64 . . . . 19739 1 13 no PDB 4OFV . "Refinement Of Rage-dna Complex In 3s58 Without Dna" . . . . . 98.02 223 100.00 100.00 4.68e-64 . . . . 19739 1 14 no PDB 4OI7 . "Rage Recognizes Nucleic Acids And Promotes Inflammatory Responses To Dna" . . . . . 98.02 223 100.00 100.00 4.68e-64 . . . . 19739 1 15 no PDB 4OI8 . "Rage Is A Nucleic Acid Receptor That Promotes Inflammatory Responses To Dna." . . . . . 98.02 223 100.00 100.00 4.68e-64 . . . . 19739 1 16 no PDB 4P2Y . "Crystal Structure Of The Human Rage Ectodomain (fragment Vc1c2) In Complex With Mouse S100a6" . . . . . 100.00 304 100.00 100.00 7.99e-65 . . . . 19739 1 17 no DBJ BAA05958 . "receptor of advanced glycosylation end products of proteins [Homo sapiens]" . . . . . 98.02 404 100.00 100.00 2.76e-62 . . . . 19739 1 18 no DBJ BAA89369 . "advanced glycation endproducts receptor [Homo sapiens]" . . . . . 98.02 404 100.00 100.00 2.76e-62 . . . . 19739 1 19 no DBJ BAC65465 . "soluble form of receptor for advanced glycation endproducts [Homo sapiens]" . . . . . 98.02 347 100.00 100.00 9.31e-63 . . . . 19739 1 20 no DBJ BAG35995 . "unnamed protein product [Homo sapiens]" . . . . . 98.02 404 100.00 100.00 2.76e-62 . . . . 19739 1 21 no DBJ BAG60385 . "unnamed protein product [Homo sapiens]" . . . . . 98.02 435 100.00 100.00 4.18e-62 . . . . 19739 1 22 no GB AAA03574 . "receptor for advanced glycosylation end products, partial [Homo sapiens]" . . . . . 98.02 404 98.99 100.00 1.60e-61 . . . . 19739 1 23 no GB AAB47491 . "receptor for advanced glycosylation end products [Homo sapiens]" . . . . . 98.02 404 100.00 100.00 2.76e-62 . . . . 19739 1 24 no GB AAH20669 . "Advanced glycosylation end product-specific receptor [Homo sapiens]" . . . . . 98.02 404 100.00 100.00 2.76e-62 . . . . 19739 1 25 no GB AAX07272 . "receptor for advanced glycosylation end-products [Homo sapiens]" . . . . . 98.02 404 100.00 100.00 2.76e-62 . . . . 19739 1 26 no GB AAX07273 . "receptor for advanced glycation end-products splice variant 1 [Homo sapiens]" . . . . . 98.02 347 100.00 100.00 9.31e-63 . . . . 19739 1 27 no REF NP_001127 . "advanced glycosylation end product-specific receptor isoform 1 precursor [Homo sapiens]" . . . . . 98.02 404 100.00 100.00 2.76e-62 . . . . 19739 1 28 no REF NP_001192046 . "advanced glycosylation end product-specific receptor precursor [Macaca mulatta]" . . . . . 98.02 403 97.98 98.99 4.30e-59 . . . . 19739 1 29 no REF NP_001193858 . "advanced glycosylation end product-specific receptor isoform 2 precursor [Homo sapiens]" . . . . . 98.02 420 100.00 100.00 3.94e-62 . . . . 19739 1 30 no REF NP_001193863 . "advanced glycosylation end product-specific receptor isoform 4 precursor [Homo sapiens]" . . . . . 98.02 363 100.00 100.00 1.38e-62 . . . . 19739 1 31 no REF NP_001193865 . "advanced glycosylation end product-specific receptor isoform 5 precursor [Homo sapiens]" . . . . . 98.02 355 100.00 100.00 3.15e-62 . . . . 19739 1 32 no SP Q15109 . "RecName: Full=Advanced glycosylation end product-specific receptor; AltName: Full=Receptor for advanced glycosylation end produ" . . . . . 98.02 404 100.00 100.00 2.76e-62 . . . . 19739 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 21 ALA . 19739 1 2 22 MET . 19739 1 3 23 ALA . 19739 1 4 24 GLN . 19739 1 5 25 ASN . 19739 1 6 26 ILE . 19739 1 7 27 THR . 19739 1 8 28 ALA . 19739 1 9 29 ARG . 19739 1 10 30 ILE . 19739 1 11 31 GLY . 19739 1 12 32 GLU . 19739 1 13 33 PRO . 19739 1 14 34 LEU . 19739 1 15 35 VAL . 19739 1 16 36 LEU . 19739 1 17 37 LYS . 19739 1 18 38 CYS . 19739 1 19 39 LYS . 19739 1 20 40 GLY . 19739 1 21 41 ALA . 19739 1 22 42 PRO . 19739 1 23 43 LYS . 19739 1 24 44 LYS . 19739 1 25 45 PRO . 19739 1 26 46 PRO . 19739 1 27 47 GLN . 19739 1 28 48 ARG . 19739 1 29 49 LEU . 19739 1 30 50 GLU . 19739 1 31 51 TRP . 19739 1 32 52 LYS . 19739 1 33 53 LEU . 19739 1 34 54 ASN . 19739 1 35 55 THR . 19739 1 36 56 GLY . 19739 1 37 57 ARG . 19739 1 38 58 THR . 19739 1 39 59 GLU . 19739 1 40 60 ALA . 19739 1 41 61 TRP . 19739 1 42 62 LYS . 19739 1 43 63 VAL . 19739 1 44 64 LEU . 19739 1 45 65 SER . 19739 1 46 66 PRO . 19739 1 47 67 GLN . 19739 1 48 68 GLY . 19739 1 49 69 GLY . 19739 1 50 70 GLY . 19739 1 51 71 PRO . 19739 1 52 72 TRP . 19739 1 53 73 ASP . 19739 1 54 74 SER . 19739 1 55 75 VAL . 19739 1 56 76 ALA . 19739 1 57 77 ARG . 19739 1 58 78 VAL . 19739 1 59 79 LEU . 19739 1 60 80 PRO . 19739 1 61 81 ASN . 19739 1 62 82 GLY . 19739 1 63 83 SER . 19739 1 64 84 LEU . 19739 1 65 85 PHE . 19739 1 66 86 LEU . 19739 1 67 87 PRO . 19739 1 68 88 ALA . 19739 1 69 89 VAL . 19739 1 70 90 GLY . 19739 1 71 91 ILE . 19739 1 72 92 GLN . 19739 1 73 93 ASP . 19739 1 74 94 GLU . 19739 1 75 95 GLY . 19739 1 76 96 ILE . 19739 1 77 97 PHE . 19739 1 78 98 ARG . 19739 1 79 99 CYS . 19739 1 80 100 GLN . 19739 1 81 101 ALA . 19739 1 82 102 MET . 19739 1 83 103 ASN . 19739 1 84 104 ARG . 19739 1 85 105 ASN . 19739 1 86 106 GLY . 19739 1 87 107 LYS . 19739 1 88 108 GLU . 19739 1 89 109 THR . 19739 1 90 110 LYS . 19739 1 91 111 SER . 19739 1 92 112 ASN . 19739 1 93 113 TYR . 19739 1 94 114 ARG . 19739 1 95 115 VAL . 19739 1 96 116 ARG . 19739 1 97 117 VAL . 19739 1 98 118 TYR . 19739 1 99 119 GLN . 19739 1 100 120 ILE . 19739 1 101 121 PRO . 19739 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 . ALA 1 1 19739 1 . MET 2 2 19739 1 . ALA 3 3 19739 1 . GLN 4 4 19739 1 . ASN 5 5 19739 1 . ILE 6 6 19739 1 . THR 7 7 19739 1 . ALA 8 8 19739 1 . ARG 9 9 19739 1 . ILE 10 10 19739 1 . GLY 11 11 19739 1 . GLU 12 12 19739 1 . PRO 13 13 19739 1 . LEU 14 14 19739 1 . VAL 15 15 19739 1 . LEU 16 16 19739 1 . LYS 17 17 19739 1 . CYS 18 18 19739 1 . LYS 19 19 19739 1 . GLY 20 20 19739 1 . ALA 21 21 19739 1 . PRO 22 22 19739 1 . LYS 23 23 19739 1 . LYS 24 24 19739 1 . PRO 25 25 19739 1 . PRO 26 26 19739 1 . GLN 27 27 19739 1 . ARG 28 28 19739 1 . LEU 29 29 19739 1 . GLU 30 30 19739 1 . TRP 31 31 19739 1 . LYS 32 32 19739 1 . LEU 33 33 19739 1 . ASN 34 34 19739 1 . THR 35 35 19739 1 . GLY 36 36 19739 1 . ARG 37 37 19739 1 . THR 38 38 19739 1 . GLU 39 39 19739 1 . ALA 40 40 19739 1 . TRP 41 41 19739 1 . LYS 42 42 19739 1 . VAL 43 43 19739 1 . LEU 44 44 19739 1 . SER 45 45 19739 1 . PRO 46 46 19739 1 . GLN 47 47 19739 1 . GLY 48 48 19739 1 . GLY 49 49 19739 1 . GLY 50 50 19739 1 . PRO 51 51 19739 1 . TRP 52 52 19739 1 . ASP 53 53 19739 1 . SER 54 54 19739 1 . VAL 55 55 19739 1 . ALA 56 56 19739 1 . ARG 57 57 19739 1 . VAL 58 58 19739 1 . LEU 59 59 19739 1 . PRO 60 60 19739 1 . ASN 61 61 19739 1 . GLY 62 62 19739 1 . SER 63 63 19739 1 . LEU 64 64 19739 1 . PHE 65 65 19739 1 . LEU 66 66 19739 1 . PRO 67 67 19739 1 . ALA 68 68 19739 1 . VAL 69 69 19739 1 . GLY 70 70 19739 1 . ILE 71 71 19739 1 . GLN 72 72 19739 1 . ASP 73 73 19739 1 . GLU 74 74 19739 1 . GLY 75 75 19739 1 . ILE 76 76 19739 1 . PHE 77 77 19739 1 . ARG 78 78 19739 1 . CYS 79 79 19739 1 . GLN 80 80 19739 1 . ALA 81 81 19739 1 . MET 82 82 19739 1 . ASN 83 83 19739 1 . ARG 84 84 19739 1 . ASN 85 85 19739 1 . GLY 86 86 19739 1 . LYS 87 87 19739 1 . GLU 88 88 19739 1 . THR 89 89 19739 1 . LYS 90 90 19739 1 . SER 91 91 19739 1 . ASN 92 92 19739 1 . TYR 93 93 19739 1 . ARG 94 94 19739 1 . VAL 95 95 19739 1 . ARG 96 96 19739 1 . VAL 97 97 19739 1 . TYR 98 98 19739 1 . GLN 99 99 19739 1 . ILE 100 100 19739 1 . PRO 101 101 19739 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 19739 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTELETAMGMIIDVFSRYSG SEGSTQTLTKGELKVLMEKE LPGFLQSGKDKDAVDKLLKD LDANGDAQVDFSEFIVFVAA ITSACHKYFEKAGLMTELET AMGMIIDVFSRYSGSEGSTQ TLTKGELKVLMEKELPGFLQ SGKDKDAVDKLLKDLDANGD AQVDFSEFIVFVAAITSACH KYFEKAGL ; _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 188 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20547.553 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17866 . S100P . . . . . 50.00 95 100.00 100.00 2.41e-58 . . . . 19739 2 2 no PDB 1J55 . "The Crystal Structure Of Ca+-Bound Human S100p Determined At 2.0a Resolution By X-Ray" . . . . . 50.00 95 100.00 100.00 2.41e-58 . . . . 19739 2 3 no PDB 2MJW . "Structural Insights Into Calcium Bound S100p - V Domain Of The Receptor For Advanced Glycation End Products (rage) Complex" . . . . . 50.00 94 100.00 100.00 2.90e-58 . . . . 19739 2 4 no DBJ BAJ20330 . "S100 calcium binding protein P [synthetic construct]" . . . . . 50.00 95 100.00 100.00 2.41e-58 . . . . 19739 2 5 no EMBL CAA46566 . "S100P calcium-binding protein [Homo sapiens]" . . . . . 50.00 95 100.00 100.00 2.41e-58 . . . . 19739 2 6 no GB AAH06819 . "S100 calcium binding protein P [Homo sapiens]" . . . . . 50.00 95 100.00 100.00 2.41e-58 . . . . 19739 2 7 no GB AAO41114 . "calcium-binding S100 protein [Homo sapiens]" . . . . . 50.00 95 100.00 100.00 2.41e-58 . . . . 19739 2 8 no GB AAP35953 . "S100 calcium binding protein P [Homo sapiens]" . . . . . 50.00 95 100.00 100.00 2.41e-58 . . . . 19739 2 9 no GB AAX31997 . "S100 calcium binding protein P [synthetic construct]" . . . . . 50.00 95 100.00 100.00 2.41e-58 . . . . 19739 2 10 no GB AAX31998 . "S100 calcium binding protein P [synthetic construct]" . . . . . 50.00 95 100.00 100.00 2.41e-58 . . . . 19739 2 11 no REF NP_005971 . "protein S100-P [Homo sapiens]" . . . . . 50.00 95 100.00 100.00 2.41e-58 . . . . 19739 2 12 no REF XP_001091876 . "PREDICTED: protein S100-P [Macaca mulatta]" . . . . . 50.00 95 100.00 100.00 2.41e-58 . . . . 19739 2 13 no REF XP_002814597 . "PREDICTED: protein S100-P [Pongo abelii]" . . . . . 50.00 95 100.00 100.00 2.41e-58 . . . . 19739 2 14 no REF XP_003310290 . "PREDICTED: protein S100-P [Pan troglodytes]" . . . . . 50.00 95 98.94 100.00 1.25e-57 . . . . 19739 2 15 no REF XP_003816512 . "PREDICTED: protein S100-P [Pan paniscus]" . . . . . 50.00 95 98.94 100.00 1.25e-57 . . . . 19739 2 16 no SP P25815 . "RecName: Full=Protein S100-P; AltName: Full=Migration-inducing gene 9 protein; Short=MIG9; AltName: Full=Protein S100-E; AltNam" . . . . . 50.00 95 100.00 100.00 2.41e-58 . . . . 19739 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 19739 2 2 . THR . 19739 2 3 . GLU . 19739 2 4 . LEU . 19739 2 5 . GLU . 19739 2 6 . THR . 19739 2 7 . ALA . 19739 2 8 . MET . 19739 2 9 . GLY . 19739 2 10 . MET . 19739 2 11 . ILE . 19739 2 12 . ILE . 19739 2 13 . ASP . 19739 2 14 . VAL . 19739 2 15 . PHE . 19739 2 16 . SER . 19739 2 17 . ARG . 19739 2 18 . TYR . 19739 2 19 . SER . 19739 2 20 . GLY . 19739 2 21 . SER . 19739 2 22 . GLU . 19739 2 23 . GLY . 19739 2 24 . SER . 19739 2 25 . THR . 19739 2 26 . GLN . 19739 2 27 . THR . 19739 2 28 . LEU . 19739 2 29 . THR . 19739 2 30 . LYS . 19739 2 31 . GLY . 19739 2 32 . GLU . 19739 2 33 . LEU . 19739 2 34 . LYS . 19739 2 35 . VAL . 19739 2 36 . LEU . 19739 2 37 . MET . 19739 2 38 . GLU . 19739 2 39 . LYS . 19739 2 40 . GLU . 19739 2 41 . LEU . 19739 2 42 . PRO . 19739 2 43 . GLY . 19739 2 44 . PHE . 19739 2 45 . LEU . 19739 2 46 . GLN . 19739 2 47 . SER . 19739 2 48 . GLY . 19739 2 49 . LYS . 19739 2 50 . ASP . 19739 2 51 . LYS . 19739 2 52 . ASP . 19739 2 53 . ALA . 19739 2 54 . VAL . 19739 2 55 . ASP . 19739 2 56 . LYS . 19739 2 57 . LEU . 19739 2 58 . LEU . 19739 2 59 . LYS . 19739 2 60 . ASP . 19739 2 61 . LEU . 19739 2 62 . ASP . 19739 2 63 . ALA . 19739 2 64 . ASN . 19739 2 65 . GLY . 19739 2 66 . ASP . 19739 2 67 . ALA . 19739 2 68 . GLN . 19739 2 69 . VAL . 19739 2 70 . ASP . 19739 2 71 . PHE . 19739 2 72 . SER . 19739 2 73 . GLU . 19739 2 74 . PHE . 19739 2 75 . ILE . 19739 2 76 . VAL . 19739 2 77 . PHE . 19739 2 78 . VAL . 19739 2 79 . ALA . 19739 2 80 . ALA . 19739 2 81 . ILE . 19739 2 82 . THR . 19739 2 83 . SER . 19739 2 84 . ALA . 19739 2 85 . CYS . 19739 2 86 . HIS . 19739 2 87 . LYS . 19739 2 88 . TYR . 19739 2 89 . PHE . 19739 2 90 . GLU . 19739 2 91 . LYS . 19739 2 92 . ALA . 19739 2 93 . GLY . 19739 2 94 . LEU . 19739 2 95 . MET . 19739 2 96 . THR . 19739 2 97 . GLU . 19739 2 98 . LEU . 19739 2 99 . GLU . 19739 2 100 . THR . 19739 2 101 . ALA . 19739 2 102 . MET . 19739 2 103 . GLY . 19739 2 104 . MET . 19739 2 105 . ILE . 19739 2 106 . ILE . 19739 2 107 . ASP . 19739 2 108 . VAL . 19739 2 109 . PHE . 19739 2 110 . SER . 19739 2 111 . ARG . 19739 2 112 . TYR . 19739 2 113 . SER . 19739 2 114 . GLY . 19739 2 115 . SER . 19739 2 116 . GLU . 19739 2 117 . GLY . 19739 2 118 . SER . 19739 2 119 . THR . 19739 2 120 . GLN . 19739 2 121 . THR . 19739 2 122 . LEU . 19739 2 123 . THR . 19739 2 124 . LYS . 19739 2 125 . GLY . 19739 2 126 . GLU . 19739 2 127 . LEU . 19739 2 128 . LYS . 19739 2 129 . VAL . 19739 2 130 . LEU . 19739 2 131 . MET . 19739 2 132 . GLU . 19739 2 133 . LYS . 19739 2 134 . GLU . 19739 2 135 . LEU . 19739 2 136 . PRO . 19739 2 137 . GLY . 19739 2 138 . PHE . 19739 2 139 . LEU . 19739 2 140 . GLN . 19739 2 141 . SER . 19739 2 142 . GLY . 19739 2 143 . LYS . 19739 2 144 . ASP . 19739 2 145 . LYS . 19739 2 146 . ASP . 19739 2 147 . ALA . 19739 2 148 . VAL . 19739 2 149 . ASP . 19739 2 150 . LYS . 19739 2 151 . LEU . 19739 2 152 . LEU . 19739 2 153 . LYS . 19739 2 154 . ASP . 19739 2 155 . LEU . 19739 2 156 . ASP . 19739 2 157 . ALA . 19739 2 158 . ASN . 19739 2 159 . GLY . 19739 2 160 . ASP . 19739 2 161 . ALA . 19739 2 162 . GLN . 19739 2 163 . VAL . 19739 2 164 . ASP . 19739 2 165 . PHE . 19739 2 166 . SER . 19739 2 167 . GLU . 19739 2 168 . PHE . 19739 2 169 . ILE . 19739 2 170 . VAL . 19739 2 171 . PHE . 19739 2 172 . VAL . 19739 2 173 . ALA . 19739 2 174 . ALA . 19739 2 175 . ILE . 19739 2 176 . THR . 19739 2 177 . SER . 19739 2 178 . ALA . 19739 2 179 . CYS . 19739 2 180 . HIS . 19739 2 181 . LYS . 19739 2 182 . TYR . 19739 2 183 . PHE . 19739 2 184 . GLU . 19739 2 185 . LYS . 19739 2 186 . ALA . 19739 2 187 . GLY . 19739 2 188 . LEU . 19739 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19739 2 . THR 2 2 19739 2 . GLU 3 3 19739 2 . LEU 4 4 19739 2 . GLU 5 5 19739 2 . THR 6 6 19739 2 . ALA 7 7 19739 2 . MET 8 8 19739 2 . GLY 9 9 19739 2 . MET 10 10 19739 2 . ILE 11 11 19739 2 . ILE 12 12 19739 2 . ASP 13 13 19739 2 . VAL 14 14 19739 2 . PHE 15 15 19739 2 . SER 16 16 19739 2 . ARG 17 17 19739 2 . TYR 18 18 19739 2 . SER 19 19 19739 2 . GLY 20 20 19739 2 . SER 21 21 19739 2 . GLU 22 22 19739 2 . GLY 23 23 19739 2 . SER 24 24 19739 2 . THR 25 25 19739 2 . GLN 26 26 19739 2 . THR 27 27 19739 2 . LEU 28 28 19739 2 . THR 29 29 19739 2 . LYS 30 30 19739 2 . GLY 31 31 19739 2 . GLU 32 32 19739 2 . LEU 33 33 19739 2 . LYS 34 34 19739 2 . VAL 35 35 19739 2 . LEU 36 36 19739 2 . MET 37 37 19739 2 . GLU 38 38 19739 2 . LYS 39 39 19739 2 . GLU 40 40 19739 2 . LEU 41 41 19739 2 . PRO 42 42 19739 2 . GLY 43 43 19739 2 . PHE 44 44 19739 2 . LEU 45 45 19739 2 . GLN 46 46 19739 2 . SER 47 47 19739 2 . GLY 48 48 19739 2 . LYS 49 49 19739 2 . ASP 50 50 19739 2 . LYS 51 51 19739 2 . ASP 52 52 19739 2 . ALA 53 53 19739 2 . VAL 54 54 19739 2 . ASP 55 55 19739 2 . LYS 56 56 19739 2 . LEU 57 57 19739 2 . LEU 58 58 19739 2 . LYS 59 59 19739 2 . ASP 60 60 19739 2 . LEU 61 61 19739 2 . ASP 62 62 19739 2 . ALA 63 63 19739 2 . ASN 64 64 19739 2 . GLY 65 65 19739 2 . ASP 66 66 19739 2 . ALA 67 67 19739 2 . GLN 68 68 19739 2 . VAL 69 69 19739 2 . ASP 70 70 19739 2 . PHE 71 71 19739 2 . SER 72 72 19739 2 . GLU 73 73 19739 2 . PHE 74 74 19739 2 . ILE 75 75 19739 2 . VAL 76 76 19739 2 . PHE 77 77 19739 2 . VAL 78 78 19739 2 . ALA 79 79 19739 2 . ALA 80 80 19739 2 . ILE 81 81 19739 2 . THR 82 82 19739 2 . SER 83 83 19739 2 . ALA 84 84 19739 2 . CYS 85 85 19739 2 . HIS 86 86 19739 2 . LYS 87 87 19739 2 . TYR 88 88 19739 2 . PHE 89 89 19739 2 . GLU 90 90 19739 2 . LYS 91 91 19739 2 . ALA 92 92 19739 2 . GLY 93 93 19739 2 . LEU 94 94 19739 2 . MET 95 95 19739 2 . THR 96 96 19739 2 . GLU 97 97 19739 2 . LEU 98 98 19739 2 . GLU 99 99 19739 2 . THR 100 100 19739 2 . ALA 101 101 19739 2 . MET 102 102 19739 2 . GLY 103 103 19739 2 . MET 104 104 19739 2 . ILE 105 105 19739 2 . ILE 106 106 19739 2 . ASP 107 107 19739 2 . VAL 108 108 19739 2 . PHE 109 109 19739 2 . SER 110 110 19739 2 . ARG 111 111 19739 2 . TYR 112 112 19739 2 . SER 113 113 19739 2 . GLY 114 114 19739 2 . SER 115 115 19739 2 . GLU 116 116 19739 2 . GLY 117 117 19739 2 . SER 118 118 19739 2 . THR 119 119 19739 2 . GLN 120 120 19739 2 . THR 121 121 19739 2 . LEU 122 122 19739 2 . THR 123 123 19739 2 . LYS 124 124 19739 2 . GLY 125 125 19739 2 . GLU 126 126 19739 2 . LEU 127 127 19739 2 . LYS 128 128 19739 2 . VAL 129 129 19739 2 . LEU 130 130 19739 2 . MET 131 131 19739 2 . GLU 132 132 19739 2 . LYS 133 133 19739 2 . GLU 134 134 19739 2 . LEU 135 135 19739 2 . PRO 136 136 19739 2 . GLY 137 137 19739 2 . PHE 138 138 19739 2 . LEU 139 139 19739 2 . GLN 140 140 19739 2 . SER 141 141 19739 2 . GLY 142 142 19739 2 . LYS 143 143 19739 2 . ASP 144 144 19739 2 . LYS 145 145 19739 2 . ASP 146 146 19739 2 . ALA 147 147 19739 2 . VAL 148 148 19739 2 . ASP 149 149 19739 2 . LYS 150 150 19739 2 . LEU 151 151 19739 2 . LEU 152 152 19739 2 . LYS 153 153 19739 2 . ASP 154 154 19739 2 . LEU 155 155 19739 2 . ASP 156 156 19739 2 . ALA 157 157 19739 2 . ASN 158 158 19739 2 . GLY 159 159 19739 2 . ASP 160 160 19739 2 . ALA 161 161 19739 2 . GLN 162 162 19739 2 . VAL 163 163 19739 2 . ASP 164 164 19739 2 . PHE 165 165 19739 2 . SER 166 166 19739 2 . GLU 167 167 19739 2 . PHE 168 168 19739 2 . ILE 169 169 19739 2 . VAL 170 170 19739 2 . PHE 171 171 19739 2 . VAL 172 172 19739 2 . ALA 173 173 19739 2 . ALA 174 174 19739 2 . ILE 175 175 19739 2 . THR 176 176 19739 2 . SER 177 177 19739 2 . ALA 178 178 19739 2 . CYS 179 179 19739 2 . HIS 180 180 19739 2 . LYS 181 181 19739 2 . TYR 182 182 19739 2 . PHE 183 183 19739 2 . GLU 184 184 19739 2 . LYS 185 185 19739 2 . ALA 186 186 19739 2 . GLY 187 187 19739 2 . LEU 188 188 19739 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19739 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19739 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19739 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 19739 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-15b(+) . . . . . . 19739 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . (pET20b+) . . . . . . 19739 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19739 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20 mM Tris-HC1, 100 mM KCl, 4 mM CaCl2, and pH 7.0' _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 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 19739 1 2 entity_2 '[U-100% 13C; U-100% 15N]' . . 2 $entity_2 . . 0.6 . . mM . . . . 19739 1 3 Tris-HCl 'natural abundance' . . . . . . 20 . . mM . . . . 19739 1 4 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 19739 1 5 CaCl2 'natural abundance' . . . . . . 4 . . mM . . . . 19739 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19739 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19739 1 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 19739 _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' 0.1 . M 19739 1 pH 6.8 . pH 19739 1 pressure 1 . atm 19739 1 temperature 273 . K 19739 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19739 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19739 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19739 1 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 19739 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19739 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 700 . . . 19739 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 19739 _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 . . . . . . . . . . . . . . . . 19739 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19739 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19739 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19739 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19739 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19739 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19739 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19739 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19739 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19739 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 19739 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19739 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19739 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19739 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 19739 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 19739 1 2 '2D 1H-13C HSQC' 1 $sample_1 . 19739 1 3 '3D HNCA' 1 $sample_1 . 19739 1 4 '3D HN(CO)CA' 1 $sample_1 . 19739 1 5 '3D HNCACB' 1 $sample_1 . 19739 1 6 '3D CBCA(CO)NH' 1 $sample_1 . 19739 1 7 '3D HCCH-TOCSY' 1 $sample_1 . 19739 1 8 '3D HBHA(CO)NH' 1 $sample_1 . 19739 1 9 '3D 1H-13C NOESY' 1 $sample_1 . 19739 1 10 '3D HCCH-COSY' 1 $sample_1 . 19739 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 19739 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 4 4 GLN H H 1 8.313 . . . . . . A 24 GLN H . 19739 1 2 . 1 1 4 4 GLN HA H 1 4.494 . . . . . . A 24 GLN HA . 19739 1 3 . 1 1 4 4 GLN HB2 H 1 2.137 . . . . . . A 24 GLN HB2 . 19739 1 4 . 1 1 4 4 GLN HG2 H 1 2.404 . . . . . . A 24 GLN HG2 . 19739 1 5 . 1 1 4 4 GLN CA C 13 54.966 . . . . . . A 24 GLN CA . 19739 1 6 . 1 1 4 4 GLN CB C 13 30.135 . . . . . . A 24 GLN CB . 19739 1 7 . 1 1 4 4 GLN CG C 13 33.853 . . . . . . A 24 GLN CG . 19739 1 8 . 1 1 4 4 GLN N N 15 121.38 . . . . . . A 24 GLN N . 19739 1 9 . 1 1 5 5 ASN H H 1 8.962 . . . . . . A 25 ASN H . 19739 1 10 . 1 1 5 5 ASN HA H 1 5.37 . . . . . . A 25 ASN HA . 19739 1 11 . 1 1 5 5 ASN HB2 H 1 2.771 . . . . . . A 25 ASN HB2 . 19739 1 12 . 1 1 5 5 ASN CA C 13 53.735 . . . . . . A 25 ASN CA . 19739 1 13 . 1 1 5 5 ASN CB C 13 39.355 . . . . . . A 25 ASN CB . 19739 1 14 . 1 1 5 5 ASN N N 15 125.37 . . . . . . A 25 ASN N . 19739 1 15 . 1 1 6 6 ILE H H 1 9.208 . . . . . . A 26 ILE H . 19739 1 16 . 1 1 6 6 ILE HA H 1 4.556 . . . . . . A 26 ILE HA . 19739 1 17 . 1 1 6 6 ILE HB H 1 2.097 . . . . . . A 26 ILE HB . 19739 1 18 . 1 1 6 6 ILE HG12 H 1 1.653 . . . . . . A 26 ILE HG12 . 19739 1 19 . 1 1 6 6 ILE HG13 H 1 1.574 . . . . . . A 26 ILE HG13 . 19739 1 20 . 1 1 6 6 ILE HG21 H 1 1.314 . . . . . . A 26 ILE HG21 . 19739 1 21 . 1 1 6 6 ILE HG22 H 1 1.314 . . . . . . A 26 ILE HG22 . 19739 1 22 . 1 1 6 6 ILE HG23 H 1 1.314 . . . . . . A 26 ILE HG23 . 19739 1 23 . 1 1 6 6 ILE HD11 H 1 0.845 . . . . . . A 26 ILE HD11 . 19739 1 24 . 1 1 6 6 ILE HD12 H 1 0.845 . . . . . . A 26 ILE HD12 . 19739 1 25 . 1 1 6 6 ILE HD13 H 1 0.845 . . . . . . A 26 ILE HD13 . 19739 1 26 . 1 1 6 6 ILE CA C 13 58.453 . . . . . . A 26 ILE CA . 19739 1 27 . 1 1 6 6 ILE CB C 13 39.937 . . . . . . A 26 ILE CB . 19739 1 28 . 1 1 6 6 ILE CG1 C 13 27.099 . . . . . . A 26 ILE CG1 . 19739 1 29 . 1 1 6 6 ILE CG2 C 13 17.364 . . . . . . A 26 ILE CG2 . 19739 1 30 . 1 1 6 6 ILE CD1 C 13 10.8 . . . . . . A 26 ILE CD1 . 19739 1 31 . 1 1 6 6 ILE N N 15 126.35 . . . . . . A 26 ILE N . 19739 1 32 . 1 1 7 7 THR H H 1 8.652 . . . . . . A 27 THR H . 19739 1 33 . 1 1 7 7 THR HA H 1 5.144 . . . . . . A 27 THR HA . 19739 1 34 . 1 1 7 7 THR HB H 1 3.995 . . . . . . A 27 THR HB . 19739 1 35 . 1 1 7 7 THR HG21 H 1 1.046 . . . . . . A 27 THR HG21 . 19739 1 36 . 1 1 7 7 THR HG22 H 1 1.046 . . . . . . A 27 THR HG22 . 19739 1 37 . 1 1 7 7 THR HG23 H 1 1.046 . . . . . . A 27 THR HG23 . 19739 1 38 . 1 1 7 7 THR CA C 13 60.949 . . . . . . A 27 THR CA . 19739 1 39 . 1 1 7 7 THR CB C 13 69.931 . . . . . . A 27 THR CB . 19739 1 40 . 1 1 7 7 THR CG2 C 13 22.136 . . . . . . A 27 THR CG2 . 19739 1 41 . 1 1 7 7 THR N N 15 122.55 . . . . . . A 27 THR N . 19739 1 42 . 1 1 8 8 ALA H H 1 8.965 . . . . . . A 28 ALA H . 19739 1 43 . 1 1 8 8 ALA HA H 1 4.67 . . . . . . A 28 ALA HA . 19739 1 44 . 1 1 8 8 ALA HB1 H 1 1.225 . . . . . . A 28 ALA HB1 . 19739 1 45 . 1 1 8 8 ALA HB2 H 1 1.225 . . . . . . A 28 ALA HB2 . 19739 1 46 . 1 1 8 8 ALA HB3 H 1 1.225 . . . . . . A 28 ALA HB3 . 19739 1 47 . 1 1 8 8 ALA CA C 13 50.234 . . . . . . A 28 ALA CA . 19739 1 48 . 1 1 8 8 ALA CB C 13 23.241 . . . . . . A 28 ALA CB . 19739 1 49 . 1 1 8 8 ALA N N 15 129.26 . . . . . . A 28 ALA N . 19739 1 50 . 1 1 9 9 ARG H H 1 8.248 . . . . . . A 29 ARG H . 19739 1 51 . 1 1 9 9 ARG HA H 1 4.349 . . . . . . A 29 ARG HA . 19739 1 52 . 1 1 9 9 ARG HB2 H 1 1.644 . . . . . . A 29 ARG HB2 . 19739 1 53 . 1 1 9 9 ARG HB3 H 1 1.537 . . . . . . A 29 ARG HB3 . 19739 1 54 . 1 1 9 9 ARG HG2 H 1 1.687 . . . . . . A 29 ARG HG2 . 19739 1 55 . 1 1 9 9 ARG HD2 H 1 2.994 . . . . . . A 29 ARG HD2 . 19739 1 56 . 1 1 9 9 ARG HD3 H 1 2.994 . . . . . . A 29 ARG HD3 . 19739 1 57 . 1 1 9 9 ARG CA C 13 55.038 . . . . . . A 29 ARG CA . 19739 1 58 . 1 1 9 9 ARG CB C 13 31.464 . . . . . . A 29 ARG CB . 19739 1 59 . 1 1 9 9 ARG CD C 13 43.47 . . . . . . A 29 ARG CD . 19739 1 60 . 1 1 9 9 ARG N N 15 120.87 . . . . . . A 29 ARG N . 19739 1 61 . 1 1 10 10 ILE H H 1 8.173 . . . . . . A 30 ILE H . 19739 1 62 . 1 1 10 10 ILE HA H 1 3.516 . . . . . . A 30 ILE HA . 19739 1 63 . 1 1 10 10 ILE HB H 1 1.586 . . . . . . A 30 ILE HB . 19739 1 64 . 1 1 10 10 ILE HG12 H 1 0.883 . . . . . . A 30 ILE HG12 . 19739 1 65 . 1 1 10 10 ILE HG21 H 1 0.94 . . . . . . A 30 ILE HG21 . 19739 1 66 . 1 1 10 10 ILE HG22 H 1 0.94 . . . . . . A 30 ILE HG22 . 19739 1 67 . 1 1 10 10 ILE HG23 H 1 0.94 . . . . . . A 30 ILE HG23 . 19739 1 68 . 1 1 10 10 ILE HD11 H 1 0.928 . . . . . . A 30 ILE HD11 . 19739 1 69 . 1 1 10 10 ILE HD12 H 1 0.928 . . . . . . A 30 ILE HD12 . 19739 1 70 . 1 1 10 10 ILE HD13 H 1 0.928 . . . . . . A 30 ILE HD13 . 19739 1 71 . 1 1 10 10 ILE CA C 13 62.839 . . . . . . A 30 ILE CA . 19739 1 72 . 1 1 10 10 ILE CB C 13 38.299 . . . . . . A 30 ILE CB . 19739 1 73 . 1 1 10 10 ILE CG1 C 13 29.282 . . . . . . A 30 ILE CG1 . 19739 1 74 . 1 1 10 10 ILE CG2 C 13 17.023 . . . . . . A 30 ILE CG2 . 19739 1 75 . 1 1 10 10 ILE CD1 C 13 14.081 . . . . . . A 30 ILE CD1 . 19739 1 76 . 1 1 10 10 ILE N N 15 122.83 . . . . . . A 30 ILE N . 19739 1 77 . 1 1 11 11 GLY H H 1 9.525 . . . . . . A 31 GLY H . 19739 1 78 . 1 1 11 11 GLY HA2 H 1 4.289 . . . . . . A 31 GLY HA2 . 19739 1 79 . 1 1 11 11 GLY HA3 H 1 3.82 . . . . . . A 31 GLY HA3 . 19739 1 80 . 1 1 11 11 GLY CA C 13 44.793 . . . . . . A 31 GLY CA . 19739 1 81 . 1 1 11 11 GLY N N 15 114.18 . . . . . . A 31 GLY N . 19739 1 82 . 1 1 12 12 GLU H H 1 7.634 . . . . . . A 32 GLU H . 19739 1 83 . 1 1 12 12 GLU HA H 1 4.779 . . . . . . A 32 GLU HA . 19739 1 84 . 1 1 12 12 GLU HB2 H 1 1.858 . . . . . . A 32 GLU HB2 . 19739 1 85 . 1 1 12 12 GLU HB3 H 1 2.093 . . . . . . A 32 GLU HB3 . 19739 1 86 . 1 1 12 12 GLU HG2 H 1 3.745 . . . . . . A 32 GLU HG2 . 19739 1 87 . 1 1 12 12 GLU CA C 13 55.223 . . . . . . A 32 GLU CA . 19739 1 88 . 1 1 12 12 GLU CB C 13 29.952 . . . . . . A 32 GLU CB . 19739 1 89 . 1 1 12 12 GLU N N 15 120.55 . . . . . . A 32 GLU N . 19739 1 90 . 1 1 13 13 PRO HA H 1 4.563 . . . . . . A 33 PRO HA . 19739 1 91 . 1 1 13 13 PRO HB2 H 1 2.377 . . . . . . A 33 PRO HB2 . 19739 1 92 . 1 1 13 13 PRO HG2 H 1 2.032 . . . . . . A 33 PRO HG2 . 19739 1 93 . 1 1 13 13 PRO CA C 13 61.941 . . . . . . A 33 PRO CA . 19739 1 94 . 1 1 13 13 PRO CB C 13 32.9 . . . . . . A 33 PRO CB . 19739 1 95 . 1 1 13 13 PRO CG C 13 26.84 . . . . . . A 33 PRO CG . 19739 1 96 . 1 1 14 14 LEU H H 1 8.519 . . . . . . A 34 LEU H . 19739 1 97 . 1 1 14 14 LEU HA H 1 4.528 . . . . . . A 34 LEU HA . 19739 1 98 . 1 1 14 14 LEU HB2 H 1 1.384 . . . . . . A 34 LEU HB2 . 19739 1 99 . 1 1 14 14 LEU HB3 H 1 1.117 . . . . . . A 34 LEU HB3 . 19739 1 100 . 1 1 14 14 LEU HG H 1 1.031 . . . . . . A 34 LEU HG . 19739 1 101 . 1 1 14 14 LEU HD11 H 1 0.413 . . . . . . A 34 LEU HD11 . 19739 1 102 . 1 1 14 14 LEU HD12 H 1 0.413 . . . . . . A 34 LEU HD12 . 19739 1 103 . 1 1 14 14 LEU HD13 H 1 0.413 . . . . . . A 34 LEU HD13 . 19739 1 104 . 1 1 14 14 LEU HD21 H 1 0.734 . . . . . . A 34 LEU HD21 . 19739 1 105 . 1 1 14 14 LEU HD22 H 1 0.734 . . . . . . A 34 LEU HD22 . 19739 1 106 . 1 1 14 14 LEU HD23 H 1 0.734 . . . . . . A 34 LEU HD23 . 19739 1 107 . 1 1 14 14 LEU CA C 13 54.176 . . . . . . A 34 LEU CA . 19739 1 108 . 1 1 14 14 LEU CB C 13 47.317 . . . . . . A 34 LEU CB . 19739 1 109 . 1 1 14 14 LEU CG C 13 27.334 . . . . . . A 34 LEU CG . 19739 1 110 . 1 1 14 14 LEU CD1 C 13 25.995 . . . . . . A 34 LEU CD1 . 19739 1 111 . 1 1 14 14 LEU CD2 C 13 25.995 . . . . . . A 34 LEU CD2 . 19739 1 112 . 1 1 14 14 LEU N N 15 121.68 . . . . . . A 34 LEU N . 19739 1 113 . 1 1 15 15 VAL H H 1 8.066 . . . . . . A 35 VAL H . 19739 1 114 . 1 1 15 15 VAL HA H 1 5 . . . . . . A 35 VAL HA . 19739 1 115 . 1 1 15 15 VAL HB H 1 1.864 . . . . . . A 35 VAL HB . 19739 1 116 . 1 1 15 15 VAL HG11 H 1 0.702 . . . . . . A 35 VAL HG11 . 19739 1 117 . 1 1 15 15 VAL HG12 H 1 0.702 . . . . . . A 35 VAL HG12 . 19739 1 118 . 1 1 15 15 VAL HG13 H 1 0.702 . . . . . . A 35 VAL HG13 . 19739 1 119 . 1 1 15 15 VAL HG21 H 1 0.834 . . . . . . A 35 VAL HG21 . 19739 1 120 . 1 1 15 15 VAL HG22 H 1 0.834 . . . . . . A 35 VAL HG22 . 19739 1 121 . 1 1 15 15 VAL HG23 H 1 0.834 . . . . . . A 35 VAL HG23 . 19739 1 122 . 1 1 15 15 VAL CA C 13 60.407 . . . . . . A 35 VAL CA . 19739 1 123 . 1 1 15 15 VAL CB C 13 33.515 . . . . . . A 35 VAL CB . 19739 1 124 . 1 1 15 15 VAL CG1 C 13 21.722 . . . . . . A 35 VAL CG1 . 19739 1 125 . 1 1 15 15 VAL CG2 C 13 21.785 . . . . . . A 35 VAL CG2 . 19739 1 126 . 1 1 15 15 VAL N N 15 124.43 . . . . . . A 35 VAL N . 19739 1 127 . 1 1 16 16 LEU H H 1 8.883 . . . . . . A 36 LEU H . 19739 1 128 . 1 1 16 16 LEU HA H 1 4.39 . . . . . . A 36 LEU HA . 19739 1 129 . 1 1 16 16 LEU HB3 H 1 1.326 . . . . . . A 36 LEU HB3 . 19739 1 130 . 1 1 16 16 LEU HG H 1 0.726 . . . . . . A 36 LEU HG . 19739 1 131 . 1 1 16 16 LEU HD11 H 1 0.004 . . . . . . A 36 LEU HD11 . 19739 1 132 . 1 1 16 16 LEU HD12 H 1 0.004 . . . . . . A 36 LEU HD12 . 19739 1 133 . 1 1 16 16 LEU HD13 H 1 0.004 . . . . . . A 36 LEU HD13 . 19739 1 134 . 1 1 16 16 LEU CA C 13 52.162 . . . . . . A 36 LEU CA . 19739 1 135 . 1 1 16 16 LEU N N 15 126.67 . . . . . . A 36 LEU N . 19739 1 136 . 1 1 17 17 LYS H H 1 8.399 . . . . . . A 37 LYS H . 19739 1 137 . 1 1 17 17 LYS HA H 1 4.536 . . . . . . A 37 LYS HA . 19739 1 138 . 1 1 17 17 LYS HB2 H 1 1.792 . . . . . . A 37 LYS HB2 . 19739 1 139 . 1 1 17 17 LYS HB3 H 1 1.813 . . . . . . A 37 LYS HB3 . 19739 1 140 . 1 1 17 17 LYS HD2 H 1 1.521 . . . . . . A 37 LYS HD2 . 19739 1 141 . 1 1 17 17 LYS HD3 H 1 1.442 . . . . . . A 37 LYS HD3 . 19739 1 142 . 1 1 17 17 LYS HE2 H 1 2.951 . . . . . . A 37 LYS HE2 . 19739 1 143 . 1 1 17 17 LYS HE3 H 1 3.07 . . . . . . A 37 LYS HE3 . 19739 1 144 . 1 1 17 17 LYS CA C 13 56.666 . . . . . . A 37 LYS CA . 19739 1 145 . 1 1 17 17 LYS CB C 13 33.609 . . . . . . A 37 LYS CB . 19739 1 146 . 1 1 17 17 LYS CD C 13 24.96 . . . . . . A 37 LYS CD . 19739 1 147 . 1 1 17 17 LYS CE C 13 41.966 . . . . . . A 37 LYS CE . 19739 1 148 . 1 1 17 17 LYS N N 15 121.22 . . . . . . A 37 LYS N . 19739 1 149 . 1 1 18 18 CYS H H 1 8.878 . . . . . . A 38 CYS H . 19739 1 150 . 1 1 18 18 CYS HA H 1 4.693 . . . . . . A 38 CYS HA . 19739 1 151 . 1 1 18 18 CYS HB3 H 1 2.961 . . . . . . A 38 CYS HB3 . 19739 1 152 . 1 1 18 18 CYS CA C 13 56.433 . . . . . . A 38 CYS CA . 19739 1 153 . 1 1 18 18 CYS CB C 13 44.031 . . . . . . A 38 CYS CB . 19739 1 154 . 1 1 18 18 CYS N N 15 126.37 . . . . . . A 38 CYS N . 19739 1 155 . 1 1 19 19 LYS H H 1 7.686 . . . . . . A 39 LYS H . 19739 1 156 . 1 1 19 19 LYS HA H 1 3.894 . . . . . . A 39 LYS HA . 19739 1 157 . 1 1 19 19 LYS HB2 H 1 1.541 . . . . . . A 39 LYS HB2 . 19739 1 158 . 1 1 19 19 LYS HB3 H 1 1.618 . . . . . . A 39 LYS HB3 . 19739 1 159 . 1 1 19 19 LYS HG2 H 1 1.028 . . . . . . A 39 LYS HG2 . 19739 1 160 . 1 1 19 19 LYS HG3 H 1 1.415 . . . . . . A 39 LYS HG3 . 19739 1 161 . 1 1 19 19 LYS HD2 H 1 1.656 . . . . . . A 39 LYS HD2 . 19739 1 162 . 1 1 19 19 LYS HE2 H 1 3.16 . . . . . . A 39 LYS HE2 . 19739 1 163 . 1 1 19 19 LYS HE3 H 1 3.16 . . . . . . A 39 LYS HE3 . 19739 1 164 . 1 1 19 19 LYS CA C 13 58.617 . . . . . . A 39 LYS CA . 19739 1 165 . 1 1 19 19 LYS CB C 13 31.967 . . . . . . A 39 LYS CB . 19739 1 166 . 1 1 19 19 LYS CG C 13 25.46 . . . . . . A 39 LYS CG . 19739 1 167 . 1 1 19 19 LYS CD C 13 29.104 . . . . . . A 39 LYS CD . 19739 1 168 . 1 1 19 19 LYS CE C 13 41.966 . . . . . . A 39 LYS CE . 19739 1 169 . 1 1 19 19 LYS N N 15 126.17 . . . . . . A 39 LYS N . 19739 1 170 . 1 1 20 20 GLY H H 1 8.228 . . . . . . A 40 GLY H . 19739 1 171 . 1 1 20 20 GLY HA2 H 1 3.914 . . . . . . A 40 GLY HA2 . 19739 1 172 . 1 1 20 20 GLY HA3 H 1 3.569 . . . . . . A 40 GLY HA3 . 19739 1 173 . 1 1 20 20 GLY CA C 13 45.092 . . . . . . A 40 GLY CA . 19739 1 174 . 1 1 20 20 GLY N N 15 108.77 . . . . . . A 40 GLY N . 19739 1 175 . 1 1 21 21 ALA H H 1 7.403 . . . . . . A 41 ALA H . 19739 1 176 . 1 1 21 21 ALA HA H 1 4.342 . . . . . . A 41 ALA HA . 19739 1 177 . 1 1 21 21 ALA HB1 H 1 1.21 . . . . . . A 41 ALA HB1 . 19739 1 178 . 1 1 21 21 ALA HB2 H 1 1.21 . . . . . . A 41 ALA HB2 . 19739 1 179 . 1 1 21 21 ALA HB3 H 1 1.21 . . . . . . A 41 ALA HB3 . 19739 1 180 . 1 1 21 21 ALA CA C 13 49.967 . . . . . . A 41 ALA CA . 19739 1 181 . 1 1 21 21 ALA CB C 13 17.899 . . . . . . A 41 ALA CB . 19739 1 182 . 1 1 21 21 ALA N N 15 122.19 . . . . . . A 41 ALA N . 19739 1 183 . 1 1 22 22 PRO HA H 1 4.524 . . . . . . A 42 PRO HA . 19739 1 184 . 1 1 22 22 PRO HB2 H 1 2.483 . . . . . . A 42 PRO HB2 . 19739 1 185 . 1 1 22 22 PRO HB3 H 1 2.028 . . . . . . A 42 PRO HB3 . 19739 1 186 . 1 1 22 22 PRO CA C 13 62.939 . . . . . . A 42 PRO CA . 19739 1 187 . 1 1 22 22 PRO CB C 13 32.739 . . . . . . A 42 PRO CB . 19739 1 188 . 1 1 23 23 LYS H H 1 8.447 . . . . . . A 43 LYS H . 19739 1 189 . 1 1 23 23 LYS HA H 1 4.108 . . . . . . A 43 LYS HA . 19739 1 190 . 1 1 23 23 LYS HB2 H 1 1.92 . . . . . . A 43 LYS HB2 . 19739 1 191 . 1 1 23 23 LYS HB3 H 1 1.763 . . . . . . A 43 LYS HB3 . 19739 1 192 . 1 1 23 23 LYS CA C 13 57.869 . . . . . . A 43 LYS CA . 19739 1 193 . 1 1 23 23 LYS CB C 13 33.223 . . . . . . A 43 LYS CB . 19739 1 194 . 1 1 23 23 LYS N N 15 118.9 . . . . . . A 43 LYS N . 19739 1 195 . 1 1 24 24 LYS H H 1 7.377 . . . . . . A 44 LYS H . 19739 1 196 . 1 1 24 24 LYS HA H 1 4.621 . . . . . . A 44 LYS HA . 19739 1 197 . 1 1 24 24 LYS HB2 H 1 1.871 . . . . . . A 44 LYS HB2 . 19739 1 198 . 1 1 24 24 LYS HE2 H 1 3.171 . . . . . . A 44 LYS HE2 . 19739 1 199 . 1 1 24 24 LYS CA C 13 52.986 . . . . . . A 44 LYS CA . 19739 1 200 . 1 1 24 24 LYS CD C 13 29.113 . . . . . . A 44 LYS CD . 19739 1 201 . 1 1 24 24 LYS N N 15 115.95 . . . . . . A 44 LYS N . 19739 1 202 . 1 1 26 26 PRO HB2 H 1 0.637 . . . . . . A 46 PRO HB2 . 19739 1 203 . 1 1 26 26 PRO HB3 H 1 1.214 . . . . . . A 46 PRO HB3 . 19739 1 204 . 1 1 26 26 PRO HD2 H 1 -0.043 . . . . . . A 46 PRO HD2 . 19739 1 205 . 1 1 26 26 PRO CB C 13 34.657 . . . . . . A 46 PRO CB . 19739 1 206 . 1 1 27 27 GLN HA H 1 4.358 . . . . . . A 47 GLN HA . 19739 1 207 . 1 1 27 27 GLN HB2 H 1 2.246 . . . . . . A 47 GLN HB2 . 19739 1 208 . 1 1 27 27 GLN HB3 H 1 1.918 . . . . . . A 47 GLN HB3 . 19739 1 209 . 1 1 27 27 GLN HG2 H 1 2.25 . . . . . . A 47 GLN HG2 . 19739 1 210 . 1 1 27 27 GLN CA C 13 55.007 . . . . . . A 47 GLN CA . 19739 1 211 . 1 1 27 27 GLN CB C 13 32.7 . . . . . . A 47 GLN CB . 19739 1 212 . 1 1 28 28 ARG H H 1 9.071 . . . . . . A 48 ARG H . 19739 1 213 . 1 1 28 28 ARG HA H 1 4.114 . . . . . . A 48 ARG HA . 19739 1 214 . 1 1 28 28 ARG HB2 H 1 1.61 . . . . . . A 48 ARG HB2 . 19739 1 215 . 1 1 28 28 ARG HG2 H 1 1.471 . . . . . . A 48 ARG HG2 . 19739 1 216 . 1 1 28 28 ARG HG3 H 1 1.624 . . . . . . A 48 ARG HG3 . 19739 1 217 . 1 1 28 28 ARG HD2 H 1 3.143 . . . . . . A 48 ARG HD2 . 19739 1 218 . 1 1 28 28 ARG CA C 13 45.59 . . . . . . A 48 ARG CA . 19739 1 219 . 1 1 28 28 ARG CB C 13 29.5 . . . . . . A 48 ARG CB . 19739 1 220 . 1 1 28 28 ARG CG C 13 27.111 . . . . . . A 48 ARG CG . 19739 1 221 . 1 1 28 28 ARG CD C 13 43.563 . . . . . . A 48 ARG CD . 19739 1 222 . 1 1 28 28 ARG N N 15 125.07 . . . . . . A 48 ARG N . 19739 1 223 . 1 1 29 29 LEU H H 1 7.798 . . . . . . A 49 LEU H . 19739 1 224 . 1 1 29 29 LEU HA H 1 5.265 . . . . . . A 49 LEU HA . 19739 1 225 . 1 1 29 29 LEU HB2 H 1 1.547 . . . . . . A 49 LEU HB2 . 19739 1 226 . 1 1 29 29 LEU HG H 1 0.928 . . . . . . A 49 LEU HG . 19739 1 227 . 1 1 29 29 LEU HD11 H 1 0.86 . . . . . . A 49 LEU HD11 . 19739 1 228 . 1 1 29 29 LEU HD12 H 1 0.86 . . . . . . A 49 LEU HD12 . 19739 1 229 . 1 1 29 29 LEU HD13 H 1 0.86 . . . . . . A 49 LEU HD13 . 19739 1 230 . 1 1 29 29 LEU CA C 13 54.309 . . . . . . A 49 LEU CA . 19739 1 231 . 1 1 29 29 LEU CB C 13 44.848 . . . . . . A 49 LEU CB . 19739 1 232 . 1 1 29 29 LEU CG C 13 27.992 . . . . . . A 49 LEU CG . 19739 1 233 . 1 1 29 29 LEU CD1 C 13 25.69 . . . . . . A 49 LEU CD1 . 19739 1 234 . 1 1 29 29 LEU N N 15 121.15 . . . . . . A 49 LEU N . 19739 1 235 . 1 1 30 30 GLU H H 1 8.38 . . . . . . A 50 GLU H . 19739 1 236 . 1 1 30 30 GLU HA H 1 4.735 . . . . . . A 50 GLU HA . 19739 1 237 . 1 1 30 30 GLU HB2 H 1 1.783 . . . . . . A 50 GLU HB2 . 19739 1 238 . 1 1 30 30 GLU HG2 H 1 2.013 . . . . . . A 50 GLU HG2 . 19739 1 239 . 1 1 30 30 GLU HG3 H 1 2.013 . . . . . . A 50 GLU HG3 . 19739 1 240 . 1 1 30 30 GLU CA C 13 55.947 . . . . . . A 50 GLU CA . 19739 1 241 . 1 1 30 30 GLU CB C 13 34.237 . . . . . . A 50 GLU CB . 19739 1 242 . 1 1 30 30 GLU CG C 13 37.421 . . . . . . A 50 GLU CG . 19739 1 243 . 1 1 30 30 GLU N N 15 120.2 . . . . . . A 50 GLU N . 19739 1 244 . 1 1 31 31 TRP H H 1 9.161 . . . . . . A 51 TRP H . 19739 1 245 . 1 1 31 31 TRP HA H 1 5.502 . . . . . . A 51 TRP HA . 19739 1 246 . 1 1 31 31 TRP HB2 H 1 2.994 . . . . . . A 51 TRP HB2 . 19739 1 247 . 1 1 31 31 TRP HD1 H 1 6.938 . . . . . . A 51 TRP HD1 . 19739 1 248 . 1 1 31 31 TRP HE3 H 1 7.51 . . . . . . A 51 TRP HE3 . 19739 1 249 . 1 1 31 31 TRP CA C 13 56.72 . . . . . . A 51 TRP CA . 19739 1 250 . 1 1 31 31 TRP CB C 13 32.52 . . . . . . A 51 TRP CB . 19739 1 251 . 1 1 31 31 TRP N N 15 125.56 . . . . . . A 51 TRP N . 19739 1 252 . 1 1 32 32 LYS H H 1 9.775 . . . . . . A 52 LYS H . 19739 1 253 . 1 1 32 32 LYS HA H 1 5.572 . . . . . . A 52 LYS HA . 19739 1 254 . 1 1 32 32 LYS HB2 H 1 1.661 . . . . . . A 52 LYS HB2 . 19739 1 255 . 1 1 32 32 LYS HB3 H 1 1.864 . . . . . . A 52 LYS HB3 . 19739 1 256 . 1 1 32 32 LYS HG2 H 1 0.872 . . . . . . A 52 LYS HG2 . 19739 1 257 . 1 1 32 32 LYS HD2 H 1 1.421 . . . . . . A 52 LYS HD2 . 19739 1 258 . 1 1 32 32 LYS HE2 H 1 2.88 . . . . . . A 52 LYS HE2 . 19739 1 259 . 1 1 32 32 LYS CA C 13 54.956 . . . . . . A 52 LYS CA . 19739 1 260 . 1 1 32 32 LYS CB C 13 36.9 . . . . . . A 52 LYS CB . 19739 1 261 . 1 1 32 32 LYS CG C 13 25.174 . . . . . . A 52 LYS CG . 19739 1 262 . 1 1 32 32 LYS N N 15 120.15 . . . . . . A 52 LYS N . 19739 1 263 . 1 1 33 33 LEU H H 1 9.238 . . . . . . A 53 LEU H . 19739 1 264 . 1 1 33 33 LEU HA H 1 5.366 . . . . . . A 53 LEU HA . 19739 1 265 . 1 1 33 33 LEU HB2 H 1 1.108 . . . . . . A 53 LEU HB2 . 19739 1 266 . 1 1 33 33 LEU HB3 H 1 1.926 . . . . . . A 53 LEU HB3 . 19739 1 267 . 1 1 33 33 LEU HG H 1 0.699 . . . . . . A 53 LEU HG . 19739 1 268 . 1 1 33 33 LEU HD21 H 1 1.469 . . . . . . A 53 LEU HD21 . 19739 1 269 . 1 1 33 33 LEU HD22 H 1 1.469 . . . . . . A 53 LEU HD22 . 19739 1 270 . 1 1 33 33 LEU HD23 H 1 1.469 . . . . . . A 53 LEU HD23 . 19739 1 271 . 1 1 33 33 LEU CA C 13 54.321 . . . . . . A 53 LEU CA . 19739 1 272 . 1 1 33 33 LEU CG C 13 25.657 . . . . . . A 53 LEU CG . 19739 1 273 . 1 1 33 33 LEU N N 15 122.45 . . . . . . A 53 LEU N . 19739 1 274 . 1 1 34 34 ASN H H 1 8.913 . . . . . . A 54 ASN H . 19739 1 275 . 1 1 34 34 ASN HA H 1 4.777 . . . . . . A 54 ASN HA . 19739 1 276 . 1 1 34 34 ASN HB2 H 1 1.973 . . . . . . A 54 ASN HB2 . 19739 1 277 . 1 1 34 34 ASN HD21 H 1 3.019 . . . . . . A 54 ASN HD21 . 19739 1 278 . 1 1 34 34 ASN HD22 H 1 3.019 . . . . . . A 54 ASN HD22 . 19739 1 279 . 1 1 34 34 ASN CA C 13 53.941 . . . . . . A 54 ASN CA . 19739 1 280 . 1 1 34 34 ASN N N 15 123.2 . . . . . . A 54 ASN N . 19739 1 281 . 1 1 35 35 THR H H 1 8.074 . . . . . . A 55 THR H . 19739 1 282 . 1 1 35 35 THR HA H 1 5.063 . . . . . . A 55 THR HA . 19739 1 283 . 1 1 35 35 THR HB H 1 4.517 . . . . . . A 55 THR HB . 19739 1 284 . 1 1 35 35 THR HG21 H 1 0.599 . . . . . . A 55 THR HG21 . 19739 1 285 . 1 1 35 35 THR HG22 H 1 0.599 . . . . . . A 55 THR HG22 . 19739 1 286 . 1 1 35 35 THR HG23 H 1 0.599 . . . . . . A 55 THR HG23 . 19739 1 287 . 1 1 35 35 THR CA C 13 68.927 . . . . . . A 55 THR CA . 19739 1 288 . 1 1 35 35 THR N N 15 112.57 . . . . . . A 55 THR N . 19739 1 289 . 1 1 36 36 GLY H H 1 7.982 . . . . . . A 56 GLY H . 19739 1 290 . 1 1 36 36 GLY HA2 H 1 4.073 . . . . . . A 56 GLY HA2 . 19739 1 291 . 1 1 36 36 GLY HA3 H 1 4.073 . . . . . . A 56 GLY HA3 . 19739 1 292 . 1 1 36 36 GLY CA C 13 47.301 . . . . . . A 56 GLY CA . 19739 1 293 . 1 1 36 36 GLY N N 15 108.64 . . . . . . A 56 GLY N . 19739 1 294 . 1 1 37 37 ARG H H 1 7.955 . . . . . . A 57 ARG H . 19739 1 295 . 1 1 37 37 ARG N N 15 116.81 . . . . . . A 57 ARG N . 19739 1 296 . 1 1 38 38 THR H H 1 7.284 . . . . . . A 58 THR H . 19739 1 297 . 1 1 38 38 THR HA H 1 4.495 . . . . . . A 58 THR HA . 19739 1 298 . 1 1 38 38 THR HB H 1 4.244 . . . . . . A 58 THR HB . 19739 1 299 . 1 1 38 38 THR HG21 H 1 0.978 . . . . . . A 58 THR HG21 . 19739 1 300 . 1 1 38 38 THR HG22 H 1 0.978 . . . . . . A 58 THR HG22 . 19739 1 301 . 1 1 38 38 THR HG23 H 1 0.978 . . . . . . A 58 THR HG23 . 19739 1 302 . 1 1 38 38 THR CA C 13 61.154 . . . . . . A 58 THR CA . 19739 1 303 . 1 1 38 38 THR CB C 13 70.2 . . . . . . A 58 THR CB . 19739 1 304 . 1 1 38 38 THR CG2 C 13 21.793 . . . . . . A 58 THR CG2 . 19739 1 305 . 1 1 38 38 THR N N 15 108.47 . . . . . . A 58 THR N . 19739 1 306 . 1 1 39 39 GLU HA H 1 4.106 . . . . . . A 59 GLU HA . 19739 1 307 . 1 1 39 39 GLU HB2 H 1 1.837 . . . . . . A 59 GLU HB2 . 19739 1 308 . 1 1 39 39 GLU CA C 13 57.3 . . . . . . A 59 GLU CA . 19739 1 309 . 1 1 40 40 ALA H H 1 7.887 . . . . . . A 60 ALA H . 19739 1 310 . 1 1 40 40 ALA HA H 1 4.069 . . . . . . A 60 ALA HA . 19739 1 311 . 1 1 40 40 ALA HB1 H 1 1.442 . . . . . . A 60 ALA HB1 . 19739 1 312 . 1 1 40 40 ALA HB2 H 1 1.442 . . . . . . A 60 ALA HB2 . 19739 1 313 . 1 1 40 40 ALA HB3 H 1 1.442 . . . . . . A 60 ALA HB3 . 19739 1 314 . 1 1 40 40 ALA CA C 13 51.691 . . . . . . A 60 ALA CA . 19739 1 315 . 1 1 40 40 ALA CB C 13 19.62 . . . . . . A 60 ALA CB . 19739 1 316 . 1 1 40 40 ALA N N 15 120.84 . . . . . . A 60 ALA N . 19739 1 317 . 1 1 41 41 TRP H H 1 7.621 . . . . . . A 61 TRP H . 19739 1 318 . 1 1 41 41 TRP HA H 1 4.101 . . . . . . A 61 TRP HA . 19739 1 319 . 1 1 41 41 TRP HB2 H 1 3.055 . . . . . . A 61 TRP HB2 . 19739 1 320 . 1 1 41 41 TRP HB3 H 1 3.193 . . . . . . A 61 TRP HB3 . 19739 1 321 . 1 1 41 41 TRP HD1 H 1 7.329 . . . . . . A 61 TRP HD1 . 19739 1 322 . 1 1 41 41 TRP CA C 13 58.27 . . . . . . A 61 TRP CA . 19739 1 323 . 1 1 41 41 TRP CB C 13 29.459 . . . . . . A 61 TRP CB . 19739 1 324 . 1 1 41 41 TRP N N 15 118.78 . . . . . . A 61 TRP N . 19739 1 325 . 1 1 42 42 LYS H H 1 9.201 . . . . . . A 62 LYS H . 19739 1 326 . 1 1 42 42 LYS HA H 1 4.805 . . . . . . A 62 LYS HA . 19739 1 327 . 1 1 42 42 LYS HB2 H 1 1.83 . . . . . . A 62 LYS HB2 . 19739 1 328 . 1 1 42 42 LYS HE2 H 1 3.146 . . . . . . A 62 LYS HE2 . 19739 1 329 . 1 1 42 42 LYS HE3 H 1 3.146 . . . . . . A 62 LYS HE3 . 19739 1 330 . 1 1 42 42 LYS CA C 13 54.102 . . . . . . A 62 LYS CA . 19739 1 331 . 1 1 42 42 LYS CB C 13 33.024 . . . . . . A 62 LYS CB . 19739 1 332 . 1 1 42 42 LYS CE C 13 43.3 . . . . . . A 62 LYS CE . 19739 1 333 . 1 1 42 42 LYS N N 15 124.07 . . . . . . A 62 LYS N . 19739 1 334 . 1 1 43 43 VAL H H 1 9.268 . . . . . . A 63 VAL H . 19739 1 335 . 1 1 43 43 VAL HA H 1 5.031 . . . . . . A 63 VAL HA . 19739 1 336 . 1 1 43 43 VAL HB H 1 1.856 . . . . . . A 63 VAL HB . 19739 1 337 . 1 1 43 43 VAL HG11 H 1 0.559 . . . . . . A 63 VAL HG11 . 19739 1 338 . 1 1 43 43 VAL HG12 H 1 0.559 . . . . . . A 63 VAL HG12 . 19739 1 339 . 1 1 43 43 VAL HG13 H 1 0.559 . . . . . . A 63 VAL HG13 . 19739 1 340 . 1 1 43 43 VAL HG21 H 1 0.623 . . . . . . A 63 VAL HG21 . 19739 1 341 . 1 1 43 43 VAL HG22 H 1 0.623 . . . . . . A 63 VAL HG22 . 19739 1 342 . 1 1 43 43 VAL HG23 H 1 0.623 . . . . . . A 63 VAL HG23 . 19739 1 343 . 1 1 43 43 VAL CA C 13 60.337 . . . . . . A 63 VAL CA . 19739 1 344 . 1 1 43 43 VAL CB C 13 33.71 . . . . . . A 63 VAL CB . 19739 1 345 . 1 1 43 43 VAL CG1 C 13 21.793 . . . . . . A 63 VAL CG1 . 19739 1 346 . 1 1 43 43 VAL CG2 C 13 21.793 . . . . . . A 63 VAL CG2 . 19739 1 347 . 1 1 43 43 VAL N N 15 120.38 . . . . . . A 63 VAL N . 19739 1 348 . 1 1 44 44 LEU HA H 1 4.65 . . . . . . A 64 LEU HA . 19739 1 349 . 1 1 44 44 LEU HB2 H 1 1.515 . . . . . . A 64 LEU HB2 . 19739 1 350 . 1 1 44 44 LEU HD21 H 1 0.714 . . . . . . A 64 LEU HD21 . 19739 1 351 . 1 1 44 44 LEU HD22 H 1 0.714 . . . . . . A 64 LEU HD22 . 19739 1 352 . 1 1 44 44 LEU HD23 H 1 0.714 . . . . . . A 64 LEU HD23 . 19739 1 353 . 1 1 44 44 LEU CA C 13 53.976 . . . . . . A 64 LEU CA . 19739 1 354 . 1 1 44 44 LEU CB C 13 43.868 . . . . . . A 64 LEU CB . 19739 1 355 . 1 1 44 44 LEU CD2 C 13 23.592 . . . . . . A 64 LEU CD2 . 19739 1 356 . 1 1 45 45 SER H H 1 8.654 . . . . . . A 65 SER H . 19739 1 357 . 1 1 45 45 SER HA H 1 5.092 . . . . . . A 65 SER HA . 19739 1 358 . 1 1 45 45 SER HB2 H 1 3.93 . . . . . . A 65 SER HB2 . 19739 1 359 . 1 1 45 45 SER HB3 H 1 4.106 . . . . . . A 65 SER HB3 . 19739 1 360 . 1 1 45 45 SER CA C 13 55.79 . . . . . . A 65 SER CA . 19739 1 361 . 1 1 45 45 SER CB C 13 64.408 . . . . . . A 65 SER CB . 19739 1 362 . 1 1 45 45 SER N N 15 117.96 . . . . . . A 65 SER N . 19739 1 363 . 1 1 46 46 PRO HA H 1 4.349 . . . . . . A 66 PRO HA . 19739 1 364 . 1 1 46 46 PRO HB3 H 1 1.926 . . . . . . A 66 PRO HB3 . 19739 1 365 . 1 1 46 46 PRO HG2 H 1 1.97 . . . . . . A 66 PRO HG2 . 19739 1 366 . 1 1 46 46 PRO HG3 H 1 2.091 . . . . . . A 66 PRO HG3 . 19739 1 367 . 1 1 46 46 PRO CA C 13 64.551 . . . . . . A 66 PRO CA . 19739 1 368 . 1 1 46 46 PRO CG C 13 27.89 . . . . . . A 66 PRO CG . 19739 1 369 . 1 1 47 47 GLN H H 1 8.212 . . . . . . A 67 GLN H . 19739 1 370 . 1 1 47 47 GLN HA H 1 4.334 . . . . . . A 67 GLN HA . 19739 1 371 . 1 1 47 47 GLN HB2 H 1 2.14 . . . . . . A 67 GLN HB2 . 19739 1 372 . 1 1 47 47 GLN HB3 H 1 2.046 . . . . . . A 67 GLN HB3 . 19739 1 373 . 1 1 47 47 GLN HG3 H 1 2.272 . . . . . . A 67 GLN HG3 . 19739 1 374 . 1 1 47 47 GLN CA C 13 56.604 . . . . . . A 67 GLN CA . 19739 1 375 . 1 1 47 47 GLN CB C 13 28.733 . . . . . . A 67 GLN CB . 19739 1 376 . 1 1 47 47 GLN CG C 13 33.978 . . . . . . A 67 GLN CG . 19739 1 377 . 1 1 47 47 GLN N N 15 116.96 . . . . . . A 67 GLN N . 19739 1 378 . 1 1 48 48 GLY H H 1 8.069 . . . . . . A 68 GLY H . 19739 1 379 . 1 1 48 48 GLY CA C 13 45.764 . . . . . . A 68 GLY CA . 19739 1 380 . 1 1 48 48 GLY N N 15 108.7 . . . . . . A 68 GLY N . 19739 1 381 . 1 1 49 49 GLY H H 1 8.354 . . . . . . A 69 GLY H . 19739 1 382 . 1 1 49 49 GLY HA2 H 1 4.245 . . . . . . A 69 GLY HA2 . 19739 1 383 . 1 1 49 49 GLY HA3 H 1 3.934 . . . . . . A 69 GLY HA3 . 19739 1 384 . 1 1 49 49 GLY CA C 13 45.053 . . . . . . A 69 GLY CA . 19739 1 385 . 1 1 49 49 GLY N N 15 109.37 . . . . . . A 69 GLY N . 19739 1 386 . 1 1 50 50 GLY H H 1 8.428 . . . . . . A 70 GLY H . 19739 1 387 . 1 1 50 50 GLY HA2 H 1 4.266 . . . . . . A 70 GLY HA2 . 19739 1 388 . 1 1 50 50 GLY HA3 H 1 4.13 . . . . . . A 70 GLY HA3 . 19739 1 389 . 1 1 50 50 GLY CA C 13 45.078 . . . . . . A 70 GLY CA . 19739 1 390 . 1 1 50 50 GLY N N 15 109.7 . . . . . . A 70 GLY N . 19739 1 391 . 1 1 51 51 PRO HA H 1 4.36 . . . . . . A 71 PRO HA . 19739 1 392 . 1 1 51 51 PRO HB2 H 1 2.244 . . . . . . A 71 PRO HB2 . 19739 1 393 . 1 1 51 51 PRO HB3 H 1 1.909 . . . . . . A 71 PRO HB3 . 19739 1 394 . 1 1 51 51 PRO HD2 H 1 7.077 . . . . . . A 71 PRO HD2 . 19739 1 395 . 1 1 51 51 PRO CA C 13 64.324 . . . . . . A 71 PRO CA . 19739 1 396 . 1 1 51 51 PRO CB C 13 32.1 . . . . . . A 71 PRO CB . 19739 1 397 . 1 1 52 52 TRP H H 1 8.204 . . . . . . A 72 TRP H . 19739 1 398 . 1 1 52 52 TRP HA H 1 4.398 . . . . . . A 72 TRP HA . 19739 1 399 . 1 1 52 52 TRP HB2 H 1 3.412 . . . . . . A 72 TRP HB2 . 19739 1 400 . 1 1 52 52 TRP HB3 H 1 3.234 . . . . . . A 72 TRP HB3 . 19739 1 401 . 1 1 52 52 TRP HD1 H 1 7.329 . . . . . . A 72 TRP HD1 . 19739 1 402 . 1 1 52 52 TRP CA C 13 59.36 . . . . . . A 72 TRP CA . 19739 1 403 . 1 1 52 52 TRP CB C 13 28.669 . . . . . . A 72 TRP CB . 19739 1 404 . 1 1 52 52 TRP N N 15 118.42 . . . . . . A 72 TRP N . 19739 1 405 . 1 1 53 53 ASP H H 1 7.686 . . . . . . A 73 ASP H . 19739 1 406 . 1 1 53 53 ASP HA H 1 4.425 . . . . . . A 73 ASP HA . 19739 1 407 . 1 1 53 53 ASP HB3 H 1 2.637 . . . . . . A 73 ASP HB3 . 19739 1 408 . 1 1 53 53 ASP CA C 13 57.046 . . . . . . A 73 ASP CA . 19739 1 409 . 1 1 53 53 ASP CB C 13 40.621 . . . . . . A 73 ASP CB . 19739 1 410 . 1 1 53 53 ASP N N 15 119.4 . . . . . . A 73 ASP N . 19739 1 411 . 1 1 54 54 SER H H 1 7.563 . . . . . . A 74 SER H . 19739 1 412 . 1 1 54 54 SER HA H 1 4.25 . . . . . . A 74 SER HA . 19739 1 413 . 1 1 54 54 SER HB2 H 1 3.83 . . . . . . A 74 SER HB2 . 19739 1 414 . 1 1 54 54 SER CA C 13 59.125 . . . . . . A 74 SER CA . 19739 1 415 . 1 1 54 54 SER N N 15 110.61 . . . . . . A 74 SER N . 19739 1 416 . 1 1 55 55 VAL H H 1 7.74 . . . . . . A 75 VAL H . 19739 1 417 . 1 1 55 55 VAL HA H 1 3.799 . . . . . . A 75 VAL HA . 19739 1 418 . 1 1 55 55 VAL HB H 1 1.767 . . . . . . A 75 VAL HB . 19739 1 419 . 1 1 55 55 VAL HG11 H 1 0.783 . . . . . . A 75 VAL HG11 . 19739 1 420 . 1 1 55 55 VAL HG12 H 1 0.783 . . . . . . A 75 VAL HG12 . 19739 1 421 . 1 1 55 55 VAL HG13 H 1 0.783 . . . . . . A 75 VAL HG13 . 19739 1 422 . 1 1 55 55 VAL CA C 13 63.657 . . . . . . A 75 VAL CA . 19739 1 423 . 1 1 55 55 VAL N N 15 119.23 . . . . . . A 75 VAL N . 19739 1 424 . 1 1 56 56 ALA H H 1 7.994 . . . . . . A 76 ALA H . 19739 1 425 . 1 1 56 56 ALA CA C 13 51.869 . . . . . . A 76 ALA CA . 19739 1 426 . 1 1 56 56 ALA N N 15 120.24 . . . . . . A 76 ALA N . 19739 1 427 . 1 1 57 57 ARG H H 1 8.796 . . . . . . A 77 ARG H . 19739 1 428 . 1 1 57 57 ARG HA H 1 4.912 . . . . . . A 77 ARG HA . 19739 1 429 . 1 1 57 57 ARG HB2 H 1 2.4 . . . . . . A 77 ARG HB2 . 19739 1 430 . 1 1 57 57 ARG HB3 H 1 2.4 . . . . . . A 77 ARG HB3 . 19739 1 431 . 1 1 57 57 ARG CA C 13 51.681 . . . . . . A 77 ARG CA . 19739 1 432 . 1 1 57 57 ARG CB C 13 20.705 . . . . . . A 77 ARG CB . 19739 1 433 . 1 1 57 57 ARG N N 15 119.73 . . . . . . A 77 ARG N . 19739 1 434 . 1 1 58 58 VAL H H 1 8.583 . . . . . . A 78 VAL H . 19739 1 435 . 1 1 58 58 VAL HA H 1 4.351 . . . . . . A 78 VAL HA . 19739 1 436 . 1 1 58 58 VAL HB H 1 1.911 . . . . . . A 78 VAL HB . 19739 1 437 . 1 1 58 58 VAL HG11 H 1 0.832 . . . . . . A 78 VAL HG11 . 19739 1 438 . 1 1 58 58 VAL HG12 H 1 0.832 . . . . . . A 78 VAL HG12 . 19739 1 439 . 1 1 58 58 VAL HG13 H 1 0.832 . . . . . . A 78 VAL HG13 . 19739 1 440 . 1 1 58 58 VAL HG21 H 1 0.842 . . . . . . A 78 VAL HG21 . 19739 1 441 . 1 1 58 58 VAL HG22 H 1 0.842 . . . . . . A 78 VAL HG22 . 19739 1 442 . 1 1 58 58 VAL HG23 H 1 0.842 . . . . . . A 78 VAL HG23 . 19739 1 443 . 1 1 58 58 VAL CA C 13 62.22 . . . . . . A 78 VAL CA . 19739 1 444 . 1 1 58 58 VAL CG2 C 13 22.829 . . . . . . A 78 VAL CG2 . 19739 1 445 . 1 1 58 58 VAL N N 15 123.46 . . . . . . A 78 VAL N . 19739 1 446 . 1 1 59 59 LEU H H 1 9.319 . . . . . . A 79 LEU H . 19739 1 447 . 1 1 59 59 LEU CA C 13 53.812 . . . . . . A 79 LEU CA . 19739 1 448 . 1 1 59 59 LEU N N 15 128.99 . . . . . . A 79 LEU N . 19739 1 449 . 1 1 60 60 PRO HA H 1 4.397 . . . . . . A 80 PRO HA . 19739 1 450 . 1 1 60 60 PRO HB2 H 1 2.383 . . . . . . A 80 PRO HB2 . 19739 1 451 . 1 1 60 60 PRO CA C 13 63.511 . . . . . . A 80 PRO CA . 19739 1 452 . 1 1 60 60 PRO CB C 13 31.7 . . . . . . A 80 PRO CB . 19739 1 453 . 1 1 61 61 ASN H H 1 7.297 . . . . . . A 81 ASN H . 19739 1 454 . 1 1 61 61 ASN HA H 1 4.573 . . . . . . A 81 ASN HA . 19739 1 455 . 1 1 61 61 ASN HB2 H 1 3.199 . . . . . . A 81 ASN HB2 . 19739 1 456 . 1 1 61 61 ASN HB3 H 1 2.781 . . . . . . A 81 ASN HB3 . 19739 1 457 . 1 1 61 61 ASN CA C 13 52.165 . . . . . . A 81 ASN CA . 19739 1 458 . 1 1 61 61 ASN CB C 13 37.2 . . . . . . A 81 ASN CB . 19739 1 459 . 1 1 61 61 ASN N N 15 109.84 . . . . . . A 81 ASN N . 19739 1 460 . 1 1 62 62 GLY H H 1 8.579 . . . . . . A 82 GLY H . 19739 1 461 . 1 1 62 62 GLY HA2 H 1 3.721 . . . . . . A 82 GLY HA2 . 19739 1 462 . 1 1 62 62 GLY HA3 H 1 4.136 . . . . . . A 82 GLY HA3 . 19739 1 463 . 1 1 62 62 GLY CA C 13 45.755 . . . . . . A 82 GLY CA . 19739 1 464 . 1 1 62 62 GLY N N 15 108.85 . . . . . . A 82 GLY N . 19739 1 465 . 1 1 63 63 SER H H 1 7.775 . . . . . . A 83 SER H . 19739 1 466 . 1 1 63 63 SER HA H 1 4.824 . . . . . . A 83 SER HA . 19739 1 467 . 1 1 63 63 SER HB2 H 1 3.762 . . . . . . A 83 SER HB2 . 19739 1 468 . 1 1 63 63 SER CA C 13 60.327 . . . . . . A 83 SER CA . 19739 1 469 . 1 1 63 63 SER N N 15 115.15 . . . . . . A 83 SER N . 19739 1 470 . 1 1 64 64 LEU H H 1 8.781 . . . . . . A 84 LEU H . 19739 1 471 . 1 1 64 64 LEU HA H 1 4.279 . . . . . . A 84 LEU HA . 19739 1 472 . 1 1 64 64 LEU HB2 H 1 0.309 . . . . . . A 84 LEU HB2 . 19739 1 473 . 1 1 64 64 LEU HB3 H 1 0.309 . . . . . . A 84 LEU HB3 . 19739 1 474 . 1 1 64 64 LEU HG H 1 0.243 . . . . . . A 84 LEU HG . 19739 1 475 . 1 1 64 64 LEU HD21 H 1 0.092 . . . . . . A 84 LEU HD21 . 19739 1 476 . 1 1 64 64 LEU HD22 H 1 0.092 . . . . . . A 84 LEU HD22 . 19739 1 477 . 1 1 64 64 LEU HD23 H 1 0.092 . . . . . . A 84 LEU HD23 . 19739 1 478 . 1 1 64 64 LEU CA C 13 53.621 . . . . . . A 84 LEU CA . 19739 1 479 . 1 1 64 64 LEU CB C 13 42.079 . . . . . . A 84 LEU CB . 19739 1 480 . 1 1 64 64 LEU CG C 13 26.9 . . . . . . A 84 LEU CG . 19739 1 481 . 1 1 64 64 LEU CD2 C 13 23.7 . . . . . . A 84 LEU CD2 . 19739 1 482 . 1 1 64 64 LEU N N 15 123.65 . . . . . . A 84 LEU N . 19739 1 483 . 1 1 65 65 PHE H H 1 8.991 . . . . . . A 85 PHE H . 19739 1 484 . 1 1 65 65 PHE HA H 1 5.368 . . . . . . A 85 PHE HA . 19739 1 485 . 1 1 65 65 PHE HB2 H 1 2.805 . . . . . . A 85 PHE HB2 . 19739 1 486 . 1 1 65 65 PHE HB3 H 1 2.697 . . . . . . A 85 PHE HB3 . 19739 1 487 . 1 1 65 65 PHE CA C 13 54.193 . . . . . . A 85 PHE CA . 19739 1 488 . 1 1 65 65 PHE CB C 13 46.443 . . . . . . A 85 PHE CB . 19739 1 489 . 1 1 65 65 PHE N N 15 126.12 . . . . . . A 85 PHE N . 19739 1 490 . 1 1 66 66 LEU H H 1 8.682 . . . . . . A 86 LEU H . 19739 1 491 . 1 1 66 66 LEU CA C 13 54.164 . . . . . . A 86 LEU CA . 19739 1 492 . 1 1 66 66 LEU N N 15 129.5 . . . . . . A 86 LEU N . 19739 1 493 . 1 1 67 67 PRO HA H 1 3.409 . . . . . . A 87 PRO HA . 19739 1 494 . 1 1 67 67 PRO HB2 H 1 3.053 . . . . . . A 87 PRO HB2 . 19739 1 495 . 1 1 67 67 PRO HB3 H 1 2.048 . . . . . . A 87 PRO HB3 . 19739 1 496 . 1 1 67 67 PRO CA C 13 64.101 . . . . . . A 87 PRO CA . 19739 1 497 . 1 1 67 67 PRO CB C 13 32.044 . . . . . . A 87 PRO CB . 19739 1 498 . 1 1 68 68 ALA H H 1 7.151 . . . . . . A 88 ALA H . 19739 1 499 . 1 1 68 68 ALA HA H 1 3.608 . . . . . . A 88 ALA HA . 19739 1 500 . 1 1 68 68 ALA HB1 H 1 0.982 . . . . . . A 88 ALA HB1 . 19739 1 501 . 1 1 68 68 ALA HB2 H 1 0.982 . . . . . . A 88 ALA HB2 . 19739 1 502 . 1 1 68 68 ALA HB3 H 1 0.982 . . . . . . A 88 ALA HB3 . 19739 1 503 . 1 1 68 68 ALA CA C 13 51.627 . . . . . . A 88 ALA CA . 19739 1 504 . 1 1 68 68 ALA CB C 13 18.9 . . . . . . A 88 ALA CB . 19739 1 505 . 1 1 68 68 ALA N N 15 115.01 . . . . . . A 88 ALA N . 19739 1 506 . 1 1 69 69 VAL H H 1 8.066 . . . . . . A 89 VAL H . 19739 1 507 . 1 1 69 69 VAL HA H 1 3.793 . . . . . . A 89 VAL HA . 19739 1 508 . 1 1 69 69 VAL HB H 1 1.976 . . . . . . A 89 VAL HB . 19739 1 509 . 1 1 69 69 VAL HG21 H 1 0.773 . . . . . . A 89 VAL HG21 . 19739 1 510 . 1 1 69 69 VAL HG22 H 1 0.773 . . . . . . A 89 VAL HG22 . 19739 1 511 . 1 1 69 69 VAL HG23 H 1 0.773 . . . . . . A 89 VAL HG23 . 19739 1 512 . 1 1 69 69 VAL CA C 13 64.159 . . . . . . A 89 VAL CA . 19739 1 513 . 1 1 69 69 VAL CB C 13 31.904 . . . . . . A 89 VAL CB . 19739 1 514 . 1 1 69 69 VAL CG2 C 13 23.188 . . . . . . A 89 VAL CG2 . 19739 1 515 . 1 1 69 69 VAL N N 15 124.89 . . . . . . A 89 VAL N . 19739 1 516 . 1 1 70 70 GLY H H 1 9.715 . . . . . . A 90 GLY H . 19739 1 517 . 1 1 70 70 GLY HA2 H 1 4.641 . . . . . . A 90 GLY HA2 . 19739 1 518 . 1 1 70 70 GLY HA3 H 1 3.707 . . . . . . A 90 GLY HA3 . 19739 1 519 . 1 1 70 70 GLY CA C 13 43.493 . . . . . . A 90 GLY CA . 19739 1 520 . 1 1 70 70 GLY N N 15 116.78 . . . . . . A 90 GLY N . 19739 1 521 . 1 1 71 71 ILE H H 1 8.596 . . . . . . A 91 ILE H . 19739 1 522 . 1 1 71 71 ILE HA H 1 3.802 . . . . . . A 91 ILE HA . 19739 1 523 . 1 1 71 71 ILE HB H 1 1.77 . . . . . . A 91 ILE HB . 19739 1 524 . 1 1 71 71 ILE HG12 H 1 1.259 . . . . . . A 91 ILE HG12 . 19739 1 525 . 1 1 71 71 ILE HG13 H 1 1.442 . . . . . . A 91 ILE HG13 . 19739 1 526 . 1 1 71 71 ILE HG21 H 1 1.358 . . . . . . A 91 ILE HG21 . 19739 1 527 . 1 1 71 71 ILE HG22 H 1 1.358 . . . . . . A 91 ILE HG22 . 19739 1 528 . 1 1 71 71 ILE HG23 H 1 1.358 . . . . . . A 91 ILE HG23 . 19739 1 529 . 1 1 71 71 ILE HD11 H 1 0.82 . . . . . . A 91 ILE HD11 . 19739 1 530 . 1 1 71 71 ILE HD12 H 1 0.82 . . . . . . A 91 ILE HD12 . 19739 1 531 . 1 1 71 71 ILE HD13 H 1 0.82 . . . . . . A 91 ILE HD13 . 19739 1 532 . 1 1 71 71 ILE CA C 13 63.781 . . . . . . A 91 ILE CA . 19739 1 533 . 1 1 71 71 ILE CB C 13 38.4 . . . . . . A 91 ILE CB . 19739 1 534 . 1 1 71 71 ILE CG1 C 13 28.5 . . . . . . A 91 ILE CG1 . 19739 1 535 . 1 1 71 71 ILE CG2 C 13 17.8 . . . . . . A 91 ILE CG2 . 19739 1 536 . 1 1 71 71 ILE CD1 C 13 13.9 . . . . . . A 91 ILE CD1 . 19739 1 537 . 1 1 71 71 ILE N N 15 118.49 . . . . . . A 91 ILE N . 19739 1 538 . 1 1 72 72 GLN H H 1 8.682 . . . . . . A 92 GLN H . 19739 1 539 . 1 1 72 72 GLN CA C 13 57.231 . . . . . . A 92 GLN CA . 19739 1 540 . 1 1 72 72 GLN N N 15 116.72 . . . . . . A 92 GLN N . 19739 1 541 . 1 1 73 73 ASP H H 1 7.644 . . . . . . A 93 ASP H . 19739 1 542 . 1 1 73 73 ASP HA H 1 4.631 . . . . . . A 93 ASP HA . 19739 1 543 . 1 1 73 73 ASP HB2 H 1 2.808 . . . . . . A 93 ASP HB2 . 19739 1 544 . 1 1 73 73 ASP HB3 H 1 2.66 . . . . . . A 93 ASP HB3 . 19739 1 545 . 1 1 73 73 ASP CA C 13 55.709 . . . . . . A 93 ASP CA . 19739 1 546 . 1 1 73 73 ASP CB C 13 41.9 . . . . . . A 93 ASP CB . 19739 1 547 . 1 1 73 73 ASP N N 15 115.89 . . . . . . A 93 ASP N . 19739 1 548 . 1 1 74 74 GLU H H 1 6.666 . . . . . . A 94 GLU H . 19739 1 549 . 1 1 74 74 GLU HA H 1 4.091 . . . . . . A 94 GLU HA . 19739 1 550 . 1 1 74 74 GLU HB2 H 1 2.135 . . . . . . A 94 GLU HB2 . 19739 1 551 . 1 1 74 74 GLU HB3 H 1 1.989 . . . . . . A 94 GLU HB3 . 19739 1 552 . 1 1 74 74 GLU HG2 H 1 2.898 . . . . . . A 94 GLU HG2 . 19739 1 553 . 1 1 74 74 GLU CA C 13 57.726 . . . . . . A 94 GLU CA . 19739 1 554 . 1 1 74 74 GLU CB C 13 30.544 . . . . . . A 94 GLU CB . 19739 1 555 . 1 1 74 74 GLU CG C 13 37.363 . . . . . . A 94 GLU CG . 19739 1 556 . 1 1 74 74 GLU N N 15 112.88 . . . . . . A 94 GLU N . 19739 1 557 . 1 1 75 75 GLY H H 1 8.024 . . . . . . A 95 GLY H . 19739 1 558 . 1 1 75 75 GLY HA2 H 1 3.84 . . . . . . A 95 GLY HA2 . 19739 1 559 . 1 1 75 75 GLY HA3 H 1 4.656 . . . . . . A 95 GLY HA3 . 19739 1 560 . 1 1 75 75 GLY CA C 13 45.059 . . . . . . A 95 GLY CA . 19739 1 561 . 1 1 75 75 GLY N N 15 109.75 . . . . . . A 95 GLY N . 19739 1 562 . 1 1 76 76 ILE H H 1 7.658 . . . . . . A 96 ILE H . 19739 1 563 . 1 1 76 76 ILE HA H 1 5.361 . . . . . . A 96 ILE HA . 19739 1 564 . 1 1 76 76 ILE HB H 1 1.654 . . . . . . A 96 ILE HB . 19739 1 565 . 1 1 76 76 ILE HG12 H 1 1.296 . . . . . . A 96 ILE HG12 . 19739 1 566 . 1 1 76 76 ILE HG21 H 1 1.21 . . . . . . A 96 ILE HG21 . 19739 1 567 . 1 1 76 76 ILE HG22 H 1 1.21 . . . . . . A 96 ILE HG22 . 19739 1 568 . 1 1 76 76 ILE HG23 H 1 1.21 . . . . . . A 96 ILE HG23 . 19739 1 569 . 1 1 76 76 ILE HD11 H 1 0.923 . . . . . . A 96 ILE HD11 . 19739 1 570 . 1 1 76 76 ILE HD12 H 1 0.923 . . . . . . A 96 ILE HD12 . 19739 1 571 . 1 1 76 76 ILE HD13 H 1 0.923 . . . . . . A 96 ILE HD13 . 19739 1 572 . 1 1 76 76 ILE CA C 13 59.635 . . . . . . A 96 ILE CA . 19739 1 573 . 1 1 76 76 ILE CB C 13 40.3 . . . . . . A 96 ILE CB . 19739 1 574 . 1 1 76 76 ILE CG1 C 13 27.213 . . . . . . A 96 ILE CG1 . 19739 1 575 . 1 1 76 76 ILE CG2 C 13 18.644 . . . . . . A 96 ILE CG2 . 19739 1 576 . 1 1 76 76 ILE CD1 C 13 12.808 . . . . . . A 96 ILE CD1 . 19739 1 577 . 1 1 76 76 ILE N N 15 119.99 . . . . . . A 96 ILE N . 19739 1 578 . 1 1 77 77 PHE H H 1 9.194 . . . . . . A 97 PHE H . 19739 1 579 . 1 1 77 77 PHE HA H 1 5.312 . . . . . . A 97 PHE HA . 19739 1 580 . 1 1 77 77 PHE HB2 H 1 3.033 . . . . . . A 97 PHE HB2 . 19739 1 581 . 1 1 77 77 PHE CA C 13 56.466 . . . . . . A 97 PHE CA . 19739 1 582 . 1 1 77 77 PHE CB C 13 43.544 . . . . . . A 97 PHE CB . 19739 1 583 . 1 1 77 77 PHE N N 15 124.05 . . . . . . A 97 PHE N . 19739 1 584 . 1 1 78 78 ARG HA H 1 5.742 . . . . . . A 98 ARG HA . 19739 1 585 . 1 1 78 78 ARG HB2 H 1 1.836 . . . . . . A 98 ARG HB2 . 19739 1 586 . 1 1 78 78 ARG HD2 H 1 2.777 . . . . . . A 98 ARG HD2 . 19739 1 587 . 1 1 78 78 ARG CA C 13 54.501 . . . . . . A 98 ARG CA . 19739 1 588 . 1 1 78 78 ARG CB C 13 35.283 . . . . . . A 98 ARG CB . 19739 1 589 . 1 1 78 78 ARG CD C 13 43.987 . . . . . . A 98 ARG CD . 19739 1 590 . 1 1 79 79 CYS H H 1 8.625 . . . . . . A 99 CYS H . 19739 1 591 . 1 1 79 79 CYS HA H 1 4.905 . . . . . . A 99 CYS HA . 19739 1 592 . 1 1 79 79 CYS HB2 H 1 1.159 . . . . . . A 99 CYS HB2 . 19739 1 593 . 1 1 79 79 CYS CA C 13 54.199 . . . . . . A 99 CYS CA . 19739 1 594 . 1 1 79 79 CYS N N 15 121.32 . . . . . . A 99 CYS N . 19739 1 595 . 1 1 80 80 GLN H H 1 8.39 . . . . . . A 100 GLN H . 19739 1 596 . 1 1 80 80 GLN HB2 H 1 1.853 . . . . . . A 100 GLN HB2 . 19739 1 597 . 1 1 80 80 GLN HB3 H 1 1.937 . . . . . . A 100 GLN HB3 . 19739 1 598 . 1 1 80 80 GLN HG2 H 1 2.043 . . . . . . A 100 GLN HG2 . 19739 1 599 . 1 1 80 80 GLN CA C 13 54.842 . . . . . . A 100 GLN CA . 19739 1 600 . 1 1 80 80 GLN CB C 13 31.6 . . . . . . A 100 GLN CB . 19739 1 601 . 1 1 80 80 GLN CG C 13 33.92 . . . . . . A 100 GLN CG . 19739 1 602 . 1 1 80 80 GLN N N 15 127.22 . . . . . . A 100 GLN N . 19739 1 603 . 1 1 81 81 ALA H H 1 8.623 . . . . . . A 101 ALA H . 19739 1 604 . 1 1 81 81 ALA HA H 1 4.275 . . . . . . A 101 ALA HA . 19739 1 605 . 1 1 81 81 ALA HB1 H 1 1.21 . . . . . . A 101 ALA HB1 . 19739 1 606 . 1 1 81 81 ALA HB2 H 1 1.21 . . . . . . A 101 ALA HB2 . 19739 1 607 . 1 1 81 81 ALA HB3 H 1 1.21 . . . . . . A 101 ALA HB3 . 19739 1 608 . 1 1 81 81 ALA CA C 13 50.552 . . . . . . A 101 ALA CA . 19739 1 609 . 1 1 81 81 ALA CB C 13 22.877 . . . . . . A 101 ALA CB . 19739 1 610 . 1 1 81 81 ALA N N 15 126.77 . . . . . . A 101 ALA N . 19739 1 611 . 1 1 82 82 MET H H 1 8.085 . . . . . . A 102 MET H . 19739 1 612 . 1 1 82 82 MET HA H 1 4.959 . . . . . . A 102 MET HA . 19739 1 613 . 1 1 82 82 MET HB2 H 1 1.929 . . . . . . A 102 MET HB2 . 19739 1 614 . 1 1 82 82 MET HG2 H 1 2.462 . . . . . . A 102 MET HG2 . 19739 1 615 . 1 1 82 82 MET HG3 H 1 2.429 . . . . . . A 102 MET HG3 . 19739 1 616 . 1 1 82 82 MET CA C 13 54.225 . . . . . . A 102 MET CA . 19739 1 617 . 1 1 82 82 MET CG C 13 32.01 . . . . . . A 102 MET CG . 19739 1 618 . 1 1 82 82 MET N N 15 119.56 . . . . . . A 102 MET N . 19739 1 619 . 1 1 83 83 ASN H H 1 8.37 . . . . . . A 103 ASN H . 19739 1 620 . 1 1 83 83 ASN HA H 1 4.856 . . . . . . A 103 ASN HA . 19739 1 621 . 1 1 83 83 ASN HB2 H 1 3.009 . . . . . . A 103 ASN HB2 . 19739 1 622 . 1 1 83 83 ASN HB3 H 1 3.381 . . . . . . A 103 ASN HB3 . 19739 1 623 . 1 1 83 83 ASN CA C 13 51.585 . . . . . . A 103 ASN CA . 19739 1 624 . 1 1 83 83 ASN CB C 13 39.479 . . . . . . A 103 ASN CB . 19739 1 625 . 1 1 83 83 ASN N N 15 122.28 . . . . . . A 103 ASN N . 19739 1 626 . 1 1 84 84 ARG HA H 1 4.11 . . . . . . A 104 ARG HA . 19739 1 627 . 1 1 84 84 ARG HB2 H 1 1.868 . . . . . . A 104 ARG HB2 . 19739 1 628 . 1 1 84 84 ARG HG2 H 1 1.651 . . . . . . A 104 ARG HG2 . 19739 1 629 . 1 1 84 84 ARG HD2 H 1 3.185 . . . . . . A 104 ARG HD2 . 19739 1 630 . 1 1 84 84 ARG CA C 13 58.633 . . . . . . A 104 ARG CA . 19739 1 631 . 1 1 84 84 ARG CB C 13 29.675 . . . . . . A 104 ARG CB . 19739 1 632 . 1 1 84 84 ARG CG C 13 26.988 . . . . . . A 104 ARG CG . 19739 1 633 . 1 1 84 84 ARG CD C 13 43.483 . . . . . . A 104 ARG CD . 19739 1 634 . 1 1 85 85 ASN H H 1 7.922 . . . . . . A 105 ASN H . 19739 1 635 . 1 1 85 85 ASN HA H 1 4.787 . . . . . . A 105 ASN HA . 19739 1 636 . 1 1 85 85 ASN HB2 H 1 2.941 . . . . . . A 105 ASN HB2 . 19739 1 637 . 1 1 85 85 ASN HB3 H 1 2.796 . . . . . . A 105 ASN HB3 . 19739 1 638 . 1 1 85 85 ASN CA C 13 52.846 . . . . . . A 105 ASN CA . 19739 1 639 . 1 1 85 85 ASN CB C 13 38.8 . . . . . . A 105 ASN CB . 19739 1 640 . 1 1 85 85 ASN N N 15 115.43 . . . . . . A 105 ASN N . 19739 1 641 . 1 1 86 86 GLY H H 1 8.036 . . . . . . A 106 GLY H . 19739 1 642 . 1 1 86 86 GLY HA2 H 1 4.06 . . . . . . A 106 GLY HA2 . 19739 1 643 . 1 1 86 86 GLY HA3 H 1 3.78 . . . . . . A 106 GLY HA3 . 19739 1 644 . 1 1 86 86 GLY CA C 13 45.92 . . . . . . A 106 GLY CA . 19739 1 645 . 1 1 86 86 GLY N N 15 107.55 . . . . . . A 106 GLY N . 19739 1 646 . 1 1 87 87 LYS H H 1 7.716 . . . . . . A 107 LYS H . 19739 1 647 . 1 1 87 87 LYS HG3 H 1 1.265 . . . . . . A 107 LYS HG3 . 19739 1 648 . 1 1 87 87 LYS HE3 H 1 2.88 . . . . . . A 107 LYS HE3 . 19739 1 649 . 1 1 87 87 LYS CA C 13 55.01 . . . . . . A 107 LYS CA . 19739 1 650 . 1 1 87 87 LYS CG C 13 24.956 . . . . . . A 107 LYS CG . 19739 1 651 . 1 1 87 87 LYS N N 15 119.97 . . . . . . A 107 LYS N . 19739 1 652 . 1 1 88 88 GLU H H 1 8.706 . . . . . . A 108 GLU H . 19739 1 653 . 1 1 88 88 GLU HA H 1 4.99 . . . . . . A 108 GLU HA . 19739 1 654 . 1 1 88 88 GLU HB2 H 1 1.895 . . . . . . A 108 GLU HB2 . 19739 1 655 . 1 1 88 88 GLU HG3 H 1 2.187 . . . . . . A 108 GLU HG3 . 19739 1 656 . 1 1 88 88 GLU CA C 13 55.524 . . . . . . A 108 GLU CA . 19739 1 657 . 1 1 88 88 GLU CB C 13 32.08 . . . . . . A 108 GLU CB . 19739 1 658 . 1 1 88 88 GLU N N 15 125.66 . . . . . . A 108 GLU N . 19739 1 659 . 1 1 89 89 THR H H 1 9.059 . . . . . . A 109 THR H . 19739 1 660 . 1 1 89 89 THR HA H 1 4.485 . . . . . . A 109 THR HA . 19739 1 661 . 1 1 89 89 THR HB H 1 3.877 . . . . . . A 109 THR HB . 19739 1 662 . 1 1 89 89 THR HG21 H 1 0.996 . . . . . . A 109 THR HG21 . 19739 1 663 . 1 1 89 89 THR HG22 H 1 0.996 . . . . . . A 109 THR HG22 . 19739 1 664 . 1 1 89 89 THR HG23 H 1 0.996 . . . . . . A 109 THR HG23 . 19739 1 665 . 1 1 89 89 THR CA C 13 62.448 . . . . . . A 109 THR CA . 19739 1 666 . 1 1 89 89 THR CB C 13 70.67 . . . . . . A 109 THR CB . 19739 1 667 . 1 1 89 89 THR CG2 C 13 22.153 . . . . . . A 109 THR CG2 . 19739 1 668 . 1 1 89 89 THR N N 15 121.3 . . . . . . A 109 THR N . 19739 1 669 . 1 1 90 90 LYS H H 1 8.776 . . . . . . A 110 LYS H . 19739 1 670 . 1 1 90 90 LYS CA C 13 55.463 . . . . . . A 110 LYS CA . 19739 1 671 . 1 1 90 90 LYS N N 15 127.017 . . . . . . A 110 LYS N . 19739 1 672 . 1 1 91 91 SER HA H 1 4.628 . . . . . . A 111 SER HA . 19739 1 673 . 1 1 91 91 SER CA C 13 65.621 . . . . . . A 111 SER CA . 19739 1 674 . 1 1 92 92 ASN HA H 1 4.532 . . . . . . A 112 ASN HA . 19739 1 675 . 1 1 92 92 ASN HB2 H 1 3.06 . . . . . . A 112 ASN HB2 . 19739 1 676 . 1 1 92 92 ASN CA C 13 56.368 . . . . . . A 112 ASN CA . 19739 1 677 . 1 1 93 93 TYR H H 1 9.582 . . . . . . A 113 TYR H . 19739 1 678 . 1 1 93 93 TYR HA H 1 5.596 . . . . . . A 113 TYR HA . 19739 1 679 . 1 1 93 93 TYR HB3 H 1 2.977 . . . . . . A 113 TYR HB3 . 19739 1 680 . 1 1 93 93 TYR CA C 13 56.721 . . . . . . A 113 TYR CA . 19739 1 681 . 1 1 93 93 TYR N N 15 121.35 . . . . . . A 113 TYR N . 19739 1 682 . 1 1 94 94 ARG HA H 1 5.263 . . . . . . A 114 ARG HA . 19739 1 683 . 1 1 94 94 ARG HG2 H 1 1.586 . . . . . . A 114 ARG HG2 . 19739 1 684 . 1 1 94 94 ARG HD2 H 1 3.16 . . . . . . A 114 ARG HD2 . 19739 1 685 . 1 1 94 94 ARG CA C 13 53.811 . . . . . . A 114 ARG CA . 19739 1 686 . 1 1 94 94 ARG CG C 13 27.829 . . . . . . A 114 ARG CG . 19739 1 687 . 1 1 94 94 ARG CD C 13 43.1 . . . . . . A 114 ARG CD . 19739 1 688 . 1 1 95 95 VAL H H 1 9.299 . . . . . . A 115 VAL H . 19739 1 689 . 1 1 95 95 VAL HB H 1 2.234 . . . . . . A 115 VAL HB . 19739 1 690 . 1 1 95 95 VAL HG11 H 1 0.607 . . . . . . A 115 VAL HG11 . 19739 1 691 . 1 1 95 95 VAL HG12 H 1 0.607 . . . . . . A 115 VAL HG12 . 19739 1 692 . 1 1 95 95 VAL HG13 H 1 0.607 . . . . . . A 115 VAL HG13 . 19739 1 693 . 1 1 95 95 VAL CA C 13 62.112 . . . . . . A 115 VAL CA . 19739 1 694 . 1 1 95 95 VAL CB C 13 33.829 . . . . . . A 115 VAL CB . 19739 1 695 . 1 1 95 95 VAL CG1 C 13 22.8 . . . . . . A 115 VAL CG1 . 19739 1 696 . 1 1 95 95 VAL N N 15 128.86 . . . . . . A 115 VAL N . 19739 1 697 . 1 1 96 96 ARG H H 1 8.728 . . . . . . A 116 ARG H . 19739 1 698 . 1 1 96 96 ARG HA H 1 4.945 . . . . . . A 116 ARG HA . 19739 1 699 . 1 1 96 96 ARG HB2 H 1 1.868 . . . . . . A 116 ARG HB2 . 19739 1 700 . 1 1 96 96 ARG HG2 H 1 1.652 . . . . . . A 116 ARG HG2 . 19739 1 701 . 1 1 96 96 ARG HD2 H 1 3.043 . . . . . . A 116 ARG HD2 . 19739 1 702 . 1 1 96 96 ARG CA C 13 54.221 . . . . . . A 116 ARG CA . 19739 1 703 . 1 1 96 96 ARG CB C 13 34.017 . . . . . . A 116 ARG CB . 19739 1 704 . 1 1 96 96 ARG CG C 13 27.599 . . . . . . A 116 ARG CG . 19739 1 705 . 1 1 96 96 ARG CD C 13 43.585 . . . . . . A 116 ARG CD . 19739 1 706 . 1 1 96 96 ARG N N 15 128.1 . . . . . . A 116 ARG N . 19739 1 707 . 1 1 97 97 VAL H H 1 9.226 . . . . . . A 117 VAL H . 19739 1 708 . 1 1 97 97 VAL HA H 1 5.019 . . . . . . A 117 VAL HA . 19739 1 709 . 1 1 97 97 VAL HB H 1 1.868 . . . . . . A 117 VAL HB . 19739 1 710 . 1 1 97 97 VAL HG11 H 1 0.671 . . . . . . A 117 VAL HG11 . 19739 1 711 . 1 1 97 97 VAL HG12 H 1 0.671 . . . . . . A 117 VAL HG12 . 19739 1 712 . 1 1 97 97 VAL HG13 H 1 0.671 . . . . . . A 117 VAL HG13 . 19739 1 713 . 1 1 97 97 VAL HG21 H 1 0.741 . . . . . . A 117 VAL HG21 . 19739 1 714 . 1 1 97 97 VAL HG22 H 1 0.741 . . . . . . A 117 VAL HG22 . 19739 1 715 . 1 1 97 97 VAL HG23 H 1 0.741 . . . . . . A 117 VAL HG23 . 19739 1 716 . 1 1 97 97 VAL CA C 13 60.524 . . . . . . A 117 VAL CA . 19739 1 717 . 1 1 97 97 VAL CB C 13 32.645 . . . . . . A 117 VAL CB . 19739 1 718 . 1 1 97 97 VAL CG2 C 13 20.567 . . . . . . A 117 VAL CG2 . 19739 1 719 . 1 1 97 97 VAL N N 15 120.34 . . . . . . A 117 VAL N . 19739 1 720 . 1 1 98 98 TYR H H 1 8.668 . . . . . . A 118 TYR H . 19739 1 721 . 1 1 98 98 TYR HA H 1 4.75 . . . . . . A 118 TYR HA . 19739 1 722 . 1 1 98 98 TYR HB2 H 1 2.95 . . . . . . A 118 TYR HB2 . 19739 1 723 . 1 1 98 98 TYR HB3 H 1 2.845 . . . . . . A 118 TYR HB3 . 19739 1 724 . 1 1 98 98 TYR HD2 H 1 6.961 . . . . . . A 118 TYR HD2 . 19739 1 725 . 1 1 98 98 TYR CA C 13 56.857 . . . . . . A 118 TYR CA . 19739 1 726 . 1 1 98 98 TYR CB C 13 41.091 . . . . . . A 118 TYR CB . 19739 1 727 . 1 1 98 98 TYR N N 15 122.88 . . . . . . A 118 TYR N . 19739 1 728 . 1 1 99 99 GLN H H 1 8.351 . . . . . . A 119 GLN H . 19739 1 729 . 1 1 99 99 GLN HA H 1 4.348 . . . . . . A 119 GLN HA . 19739 1 730 . 1 1 99 99 GLN HB2 H 1 1.922 . . . . . . A 119 GLN HB2 . 19739 1 731 . 1 1 99 99 GLN HB3 H 1 2.009 . . . . . . A 119 GLN HB3 . 19739 1 732 . 1 1 99 99 GLN HG2 H 1 2.24 . . . . . . A 119 GLN HG2 . 19739 1 733 . 1 1 99 99 GLN CA C 13 54.957 . . . . . . A 119 GLN CA . 19739 1 734 . 1 1 99 99 GLN CB C 13 30.303 . . . . . . A 119 GLN CB . 19739 1 735 . 1 1 99 99 GLN CG C 13 33.479 . . . . . . A 119 GLN CG . 19739 1 736 . 1 1 99 99 GLN N N 15 121.74 . . . . . . A 119 GLN N . 19739 1 737 . 1 1 100 100 ILE H H 1 8.034 . . . . . . A 120 ILE H . 19739 1 738 . 1 1 100 100 ILE N N 15 123.72 . . . . . . A 120 ILE N . 19739 1 stop_ save_