data_15326 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15326 _Entry.Title ; Backbone 13C, HN and 15N assignments for human chemerin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-22 _Entry.Accession_date 2007-06-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Samantha Allen . J. . 15326 2 Tracy Handel . M. . 15326 3 Brian Zabel . A. . 15326 4 Daniel Nietlispach . . . 15326 5 Eugene Butcher . C. . 15326 6 John Kirkpatrick . . . 15326 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of California, San Diego' . 15326 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15326 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 498 15326 '15N chemical shifts' 122 15326 '1H chemical shifts' 122 15326 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2009-08-31 2007-06-22 update BMRB 'add PubMed ID' 15326 2 . . 2008-01-29 2007-06-22 update BMRB 'complete entry citation' 15326 1 . . 2007-09-17 2007-06-22 original author 'original release' 15326 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15326 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636857 _Citation.Full_citation . _Citation.Title 'NMR assignment of human chemerin, a novel chemoattractant' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 2 _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 171 _Citation.Page_last 173 _Citation.Year 2007 _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 Samantha Allen . J. . 15326 1 2 Brian Zabel . A. . 15326 1 3 John Kirkpatrick . . . 15326 1 4 Eugene Butcher . C. . 15326 1 5 Daniel Nietlispach . . . 15326 1 6 Tracy Handel . M. . 15326 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15326 _Assembly.ID 1 _Assembly.Name chemerin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16962 _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 chemerin 1 $Chemerin A . yes native no no 1 'protein of interest' . 15326 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Chemerin _Entity.Sf_category entity _Entity.Sf_framecode Chemerin _Entity.Entry_ID 15326 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Chemerin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MELTEAQRRGLQVALEEFHK HPPVQWAFQETSVESAVDTP FPAGIFVRLEFKLQQTSCRK RDWKKPECKVRPNGRKRKCL ACIKLGSEDKVLGRLVHCPI ETQVLREAEEHQETQCLRVQ RAGEDPHSFYFPGQFAPHHH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1 is a non-native initiator met. The last 9 residues are also non-native (a proline and His8 tag).' _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 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16962 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The mass spec analysis shows that there are 3 S-S bonds formed by the six cysteine residues present in the protein, but which particular cysteines are linked together is not yet known. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAA76499 . "type II membrane protein [Homo sapiens]" . . . . . 93.10 163 100.00 100.00 2.31e-92 . . . . 15326 1 2 no DBJ BAG35130 . "unnamed protein product [Homo sapiens]" . . . . . 93.10 163 100.00 100.00 2.31e-92 . . . . 15326 1 3 no EMBL CAG46789 . "RARRES2 [Homo sapiens]" . . . . . 93.10 163 100.00 100.00 2.31e-92 . . . . 15326 1 4 no EMBL CAG46823 . "RARRES2 [Homo sapiens]" . . . . . 93.10 163 100.00 100.00 2.31e-92 . . . . 15326 1 5 no EMBL CAH93115 . "hypothetical protein [Pongo abelii]" . . . . . 93.10 163 98.52 99.26 4.92e-91 . . . . 15326 1 6 no GB AAB47975 . "tazarotene-induced gene 2 [Homo sapiens]" . . . . . 93.10 163 100.00 100.00 2.31e-92 . . . . 15326 1 7 no GB AAH00069 . "Retinoic acid receptor responder (tazarotene induced) 2 [Homo sapiens]" . . . . . 93.10 163 100.00 100.00 2.31e-92 . . . . 15326 1 8 no GB AAS00384 . "unknown [Homo sapiens]" . . . . . 93.10 163 100.00 100.00 2.31e-92 . . . . 15326 1 9 no GB AAX36662 . "retinoic acid receptor responder 2 [synthetic construct]" . . . . . 93.10 163 100.00 100.00 2.31e-92 . . . . 15326 1 10 no GB AAX37088 . "retinoic acid receptor responder 2 [synthetic construct]" . . . . . 93.10 164 100.00 100.00 2.10e-92 . . . . 15326 1 11 no REF NP_001127631 . "retinoic acid receptor responder protein 2 precursor [Pongo abelii]" . . . . . 93.10 163 98.52 99.26 4.92e-91 . . . . 15326 1 12 no REF NP_002880 . "retinoic acid receptor responder protein 2 precursor [Homo sapiens]" . . . . . 93.10 163 100.00 100.00 2.31e-92 . . . . 15326 1 13 no REF XP_001134678 . "PREDICTED: retinoic acid receptor responder protein 2 [Pan troglodytes]" . . . . . 93.10 163 99.26 100.00 9.26e-92 . . . . 15326 1 14 no REF XP_003815095 . "PREDICTED: retinoic acid receptor responder protein 2 [Pan paniscus]" . . . . . 93.10 163 99.26 100.00 9.26e-92 . . . . 15326 1 15 no REF XP_004046507 . "PREDICTED: retinoic acid receptor responder protein 2 [Gorilla gorilla gorilla]" . . . . . 93.10 163 100.00 100.00 2.42e-92 . . . . 15326 1 16 no SP Q5R551 . "RecName: Full=Retinoic acid receptor responder protein 2; AltName: Full=Chemerin; Flags: Precursor" . . . . . 93.10 163 98.52 99.26 4.92e-91 . . . . 15326 1 17 no SP Q99969 . "RecName: Full=Retinoic acid receptor responder protein 2; AltName: Full=Chemerin; AltName: Full=RAR-responsive protein TIG2; Al" . . . . . 93.10 163 100.00 100.00 2.31e-92 . . . . 15326 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15326 1 2 . GLU . 15326 1 3 . LEU . 15326 1 4 . THR . 15326 1 5 . GLU . 15326 1 6 . ALA . 15326 1 7 . GLN . 15326 1 8 . ARG . 15326 1 9 . ARG . 15326 1 10 . GLY . 15326 1 11 . LEU . 15326 1 12 . GLN . 15326 1 13 . VAL . 15326 1 14 . ALA . 15326 1 15 . LEU . 15326 1 16 . GLU . 15326 1 17 . GLU . 15326 1 18 . PHE . 15326 1 19 . HIS . 15326 1 20 . LYS . 15326 1 21 . HIS . 15326 1 22 . PRO . 15326 1 23 . PRO . 15326 1 24 . VAL . 15326 1 25 . GLN . 15326 1 26 . TRP . 15326 1 27 . ALA . 15326 1 28 . PHE . 15326 1 29 . GLN . 15326 1 30 . GLU . 15326 1 31 . THR . 15326 1 32 . SER . 15326 1 33 . VAL . 15326 1 34 . GLU . 15326 1 35 . SER . 15326 1 36 . ALA . 15326 1 37 . VAL . 15326 1 38 . ASP . 15326 1 39 . THR . 15326 1 40 . PRO . 15326 1 41 . PHE . 15326 1 42 . PRO . 15326 1 43 . ALA . 15326 1 44 . GLY . 15326 1 45 . ILE . 15326 1 46 . PHE . 15326 1 47 . VAL . 15326 1 48 . ARG . 15326 1 49 . LEU . 15326 1 50 . GLU . 15326 1 51 . PHE . 15326 1 52 . LYS . 15326 1 53 . LEU . 15326 1 54 . GLN . 15326 1 55 . GLN . 15326 1 56 . THR . 15326 1 57 . SER . 15326 1 58 . CYS . 15326 1 59 . ARG . 15326 1 60 . LYS . 15326 1 61 . ARG . 15326 1 62 . ASP . 15326 1 63 . TRP . 15326 1 64 . LYS . 15326 1 65 . LYS . 15326 1 66 . PRO . 15326 1 67 . GLU . 15326 1 68 . CYS . 15326 1 69 . LYS . 15326 1 70 . VAL . 15326 1 71 . ARG . 15326 1 72 . PRO . 15326 1 73 . ASN . 15326 1 74 . GLY . 15326 1 75 . ARG . 15326 1 76 . LYS . 15326 1 77 . ARG . 15326 1 78 . LYS . 15326 1 79 . CYS . 15326 1 80 . LEU . 15326 1 81 . ALA . 15326 1 82 . CYS . 15326 1 83 . ILE . 15326 1 84 . LYS . 15326 1 85 . LEU . 15326 1 86 . GLY . 15326 1 87 . SER . 15326 1 88 . GLU . 15326 1 89 . ASP . 15326 1 90 . LYS . 15326 1 91 . VAL . 15326 1 92 . LEU . 15326 1 93 . GLY . 15326 1 94 . ARG . 15326 1 95 . LEU . 15326 1 96 . VAL . 15326 1 97 . HIS . 15326 1 98 . CYS . 15326 1 99 . PRO . 15326 1 100 . ILE . 15326 1 101 . GLU . 15326 1 102 . THR . 15326 1 103 . GLN . 15326 1 104 . VAL . 15326 1 105 . LEU . 15326 1 106 . ARG . 15326 1 107 . GLU . 15326 1 108 . ALA . 15326 1 109 . GLU . 15326 1 110 . GLU . 15326 1 111 . HIS . 15326 1 112 . GLN . 15326 1 113 . GLU . 15326 1 114 . THR . 15326 1 115 . GLN . 15326 1 116 . CYS . 15326 1 117 . LEU . 15326 1 118 . ARG . 15326 1 119 . VAL . 15326 1 120 . GLN . 15326 1 121 . ARG . 15326 1 122 . ALA . 15326 1 123 . GLY . 15326 1 124 . GLU . 15326 1 125 . ASP . 15326 1 126 . PRO . 15326 1 127 . HIS . 15326 1 128 . SER . 15326 1 129 . PHE . 15326 1 130 . TYR . 15326 1 131 . PHE . 15326 1 132 . PRO . 15326 1 133 . GLY . 15326 1 134 . GLN . 15326 1 135 . PHE . 15326 1 136 . ALA . 15326 1 137 . PRO . 15326 1 138 . HIS . 15326 1 139 . HIS . 15326 1 140 . HIS . 15326 1 141 . HIS . 15326 1 142 . HIS . 15326 1 143 . HIS . 15326 1 144 . HIS . 15326 1 145 . HIS . 15326 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15326 1 . GLU 2 2 15326 1 . LEU 3 3 15326 1 . THR 4 4 15326 1 . GLU 5 5 15326 1 . ALA 6 6 15326 1 . GLN 7 7 15326 1 . ARG 8 8 15326 1 . ARG 9 9 15326 1 . GLY 10 10 15326 1 . LEU 11 11 15326 1 . GLN 12 12 15326 1 . VAL 13 13 15326 1 . ALA 14 14 15326 1 . LEU 15 15 15326 1 . GLU 16 16 15326 1 . GLU 17 17 15326 1 . PHE 18 18 15326 1 . HIS 19 19 15326 1 . LYS 20 20 15326 1 . HIS 21 21 15326 1 . PRO 22 22 15326 1 . PRO 23 23 15326 1 . VAL 24 24 15326 1 . GLN 25 25 15326 1 . TRP 26 26 15326 1 . ALA 27 27 15326 1 . PHE 28 28 15326 1 . GLN 29 29 15326 1 . GLU 30 30 15326 1 . THR 31 31 15326 1 . SER 32 32 15326 1 . VAL 33 33 15326 1 . GLU 34 34 15326 1 . SER 35 35 15326 1 . ALA 36 36 15326 1 . VAL 37 37 15326 1 . ASP 38 38 15326 1 . THR 39 39 15326 1 . PRO 40 40 15326 1 . PHE 41 41 15326 1 . PRO 42 42 15326 1 . ALA 43 43 15326 1 . GLY 44 44 15326 1 . ILE 45 45 15326 1 . PHE 46 46 15326 1 . VAL 47 47 15326 1 . ARG 48 48 15326 1 . LEU 49 49 15326 1 . GLU 50 50 15326 1 . PHE 51 51 15326 1 . LYS 52 52 15326 1 . LEU 53 53 15326 1 . GLN 54 54 15326 1 . GLN 55 55 15326 1 . THR 56 56 15326 1 . SER 57 57 15326 1 . CYS 58 58 15326 1 . ARG 59 59 15326 1 . LYS 60 60 15326 1 . ARG 61 61 15326 1 . ASP 62 62 15326 1 . TRP 63 63 15326 1 . LYS 64 64 15326 1 . LYS 65 65 15326 1 . PRO 66 66 15326 1 . GLU 67 67 15326 1 . CYS 68 68 15326 1 . LYS 69 69 15326 1 . VAL 70 70 15326 1 . ARG 71 71 15326 1 . PRO 72 72 15326 1 . ASN 73 73 15326 1 . GLY 74 74 15326 1 . ARG 75 75 15326 1 . LYS 76 76 15326 1 . ARG 77 77 15326 1 . LYS 78 78 15326 1 . CYS 79 79 15326 1 . LEU 80 80 15326 1 . ALA 81 81 15326 1 . CYS 82 82 15326 1 . ILE 83 83 15326 1 . LYS 84 84 15326 1 . LEU 85 85 15326 1 . GLY 86 86 15326 1 . SER 87 87 15326 1 . GLU 88 88 15326 1 . ASP 89 89 15326 1 . LYS 90 90 15326 1 . VAL 91 91 15326 1 . LEU 92 92 15326 1 . GLY 93 93 15326 1 . ARG 94 94 15326 1 . LEU 95 95 15326 1 . VAL 96 96 15326 1 . HIS 97 97 15326 1 . CYS 98 98 15326 1 . PRO 99 99 15326 1 . ILE 100 100 15326 1 . GLU 101 101 15326 1 . THR 102 102 15326 1 . GLN 103 103 15326 1 . VAL 104 104 15326 1 . LEU 105 105 15326 1 . ARG 106 106 15326 1 . GLU 107 107 15326 1 . ALA 108 108 15326 1 . GLU 109 109 15326 1 . GLU 110 110 15326 1 . HIS 111 111 15326 1 . GLN 112 112 15326 1 . GLU 113 113 15326 1 . THR 114 114 15326 1 . GLN 115 115 15326 1 . CYS 116 116 15326 1 . LEU 117 117 15326 1 . ARG 118 118 15326 1 . VAL 119 119 15326 1 . GLN 120 120 15326 1 . ARG 121 121 15326 1 . ALA 122 122 15326 1 . GLY 123 123 15326 1 . GLU 124 124 15326 1 . ASP 125 125 15326 1 . PRO 126 126 15326 1 . HIS 127 127 15326 1 . SER 128 128 15326 1 . PHE 129 129 15326 1 . TYR 130 130 15326 1 . PHE 131 131 15326 1 . PRO 132 132 15326 1 . GLY 133 133 15326 1 . GLN 134 134 15326 1 . PHE 135 135 15326 1 . ALA 136 136 15326 1 . PRO 137 137 15326 1 . HIS 138 138 15326 1 . HIS 139 139 15326 1 . HIS 140 140 15326 1 . HIS 141 141 15326 1 . HIS 142 142 15326 1 . HIS 143 143 15326 1 . HIS 144 144 15326 1 . HIS 145 145 15326 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15326 _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 $Chemerin . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'Tazarotene-induced gene 2' . . . . 15326 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 15326 _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 $Chemerin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli TAP302 . . . . . . . . . . . . . . . pET21a . . . . . . 15326 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N_chemerin _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N_chemerin _Sample.Entry_ID 15326 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% 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 Chemerin '[U-98% 13C; U-98% 15N]' . . 1 $Chemerin . . . 0.8 1.5 mM . . . . 15326 1 2 'acetic acid' [U-2H] . . . . . . 10 . . mM . . . . 15326 1 3 EDTA [U-2H] . . . . . . 0.1 . . mM . . . . 15326 1 stop_ save_ save_15N_chemerin _Sample.Sf_category sample _Sample.Sf_framecode 15N_chemerin _Sample.Entry_ID 15326 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Chemerin '[U-98% 15N]' . . 1 $Chemerin . . 0.8 . . mM . . . . 15326 2 2 EDTA [U-2H] . . . . . . 0.1 . . mM . . . . 15326 2 3 'acetic acid' [U-2H] . . . . . . 10 . . mM . . . . 15326 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15326 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.49 . pH 15326 1 pressure 1 . atm 15326 1 temperature 298 . K 15326 1 stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 15326 _Software.ID 1 _Software.Name AZARA _Software.Version 2.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher 'University of Cambridge, Cambridge, UK' wb104@MOLE.BIO.CAM.AC.UK 15326 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15326 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 15326 _Software.ID 2 _Software.Name Analysis _Software.Version 1.0.14 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN ; University of Cambridge, Cambridge, UK ; . 15326 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15326 2 'peak picking' 15326 2 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 15326 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'With cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15326 _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 Diversa Bruker DRX . 600 'With cryoprobe' . . 15326 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 15326 _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 . . . . . . . . . . 2 $15N_chemerin isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15326 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C_15N_chemerin isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15326 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $13C_15N_chemerin isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15326 1 4 '3D HNCO' no . . . . . . . . . . 1 $13C_15N_chemerin isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15326 1 5 CBCANH no . . . . . . . . . . 1 $13C_15N_chemerin isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15326 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 15326 _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 external indirect 0.251449 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . No 0 . . 15326 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . No 0 . . 15326 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . No 0 . . 15326 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 15326 _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' . . . 15326 1 2 '3D CBCA(CO)NH' . . . 15326 1 3 '3D C(CO)NH' . . . 15326 1 4 '3D HNCO' . . . 15326 1 5 CBCANH . . . 15326 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 $AZARA . . 15326 1 2 $Analysis . . 15326 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 1 1 MET C C 13 171.78 0.000 . 1 . . . . 1 MET CO . 15326 1 2 . 1 1 1 1 MET CE C 13 16.97 0.000 . 1 . . . . 1 MET CE . 15326 1 3 . 1 1 2 2 GLU H H 1 8.81 0.005 . 1 . . . . 2 GLU HN . 15326 1 4 . 1 1 2 2 GLU C C 13 175.65 0.000 . 1 . . . . 2 GLU CO . 15326 1 5 . 1 1 2 2 GLU CA C 13 55.71 0.034 . 1 . . . . 2 GLU CA . 15326 1 6 . 1 1 2 2 GLU CB C 13 30.33 0.031 . 1 . . . . 2 GLU CB . 15326 1 7 . 1 1 2 2 GLU CG C 13 35.96 0.017 . 1 . . . . 2 GLU CG . 15326 1 8 . 1 1 2 2 GLU N N 15 124.39 0.008 . 1 . . . . 2 GLU N . 15326 1 9 . 1 1 3 3 LEU H H 1 8.45 0.003 . 1 . . . . 3 LEU HN . 15326 1 10 . 1 1 3 3 LEU C C 13 178.36 0.000 . 1 . . . . 3 LEU CO . 15326 1 11 . 1 1 3 3 LEU CA C 13 54.52 0.045 . 1 . . . . 3 LEU CA . 15326 1 12 . 1 1 3 3 LEU CB C 13 43.37 0.032 . 1 . . . . 3 LEU CB . 15326 1 13 . 1 1 3 3 LEU CD1 C 13 22.90 0.000 . 1 . . . . 3 LEU CD1 . 15326 1 14 . 1 1 3 3 LEU CG C 13 25.89 0.021 . 1 . . . . 3 LEU CG . 15326 1 15 . 1 1 3 3 LEU N N 15 123.49 0.014 . 1 . . . . 3 LEU N . 15326 1 16 . 1 1 4 4 THR H H 1 7.74 0.003 . 1 . . . . 4 THR HN . 15326 1 17 . 1 1 4 4 THR C C 13 175.07 0.000 . 1 . . . . 4 THR CO . 15326 1 18 . 1 1 4 4 THR CA C 13 60.84 0.018 . 1 . . . . 4 THR CA . 15326 1 19 . 1 1 4 4 THR CB C 13 70.89 0.030 . 1 . . . . 4 THR CB . 15326 1 20 . 1 1 4 4 THR CG2 C 13 21.57 0.020 . 1 . . . . 4 THR CG2 . 15326 1 21 . 1 1 4 4 THR N N 15 112.47 0.007 . 1 . . . . 4 THR N . 15326 1 22 . 1 1 5 5 GLU H H 1 8.93 0.003 . 1 . . . . 5 GLU HN . 15326 1 23 . 1 1 5 5 GLU C C 13 179.21 0.000 . 1 . . . . 5 GLU CO . 15326 1 24 . 1 1 5 5 GLU CA C 13 60.31 0.042 . 1 . . . . 5 GLU CA . 15326 1 25 . 1 1 5 5 GLU CB C 13 28.99 0.034 . 1 . . . . 5 GLU CB . 15326 1 26 . 1 1 5 5 GLU CG C 13 36.04 0.015 . 1 . . . . 5 GLU CG . 15326 1 27 . 1 1 5 5 GLU N N 15 120.62 0.018 . 1 . . . . 5 GLU N . 15326 1 28 . 1 1 6 6 ALA H H 1 8.61 0.003 . 1 . . . . 6 ALA HN . 15326 1 29 . 1 1 6 6 ALA C C 13 179.87 0.000 . 1 . . . . 6 ALA CO . 15326 1 30 . 1 1 6 6 ALA CA C 13 55.15 0.031 . 1 . . . . 6 ALA CA . 15326 1 31 . 1 1 6 6 ALA CB C 13 18.30 0.060 . 1 . . . . 6 ALA CB . 15326 1 32 . 1 1 6 6 ALA N N 15 120.39 0.013 . 1 . . . . 6 ALA N . 15326 1 33 . 1 1 7 7 GLN H H 1 7.50 0.003 . 1 . . . . 7 GLN HN . 15326 1 34 . 1 1 7 7 GLN C C 13 178.08 0.000 . 1 . . . . 7 GLN CO . 15326 1 35 . 1 1 7 7 GLN CA C 13 58.75 0.025 . 1 . . . . 7 GLN CA . 15326 1 36 . 1 1 7 7 GLN CB C 13 27.63 0.017 . 1 . . . . 7 GLN CB . 15326 1 37 . 1 1 7 7 GLN CG C 13 34.47 0.020 . 1 . . . . 7 GLN CG . 15326 1 38 . 1 1 7 7 GLN N N 15 116.49 0.010 . 1 . . . . 7 GLN N . 15326 1 39 . 1 1 8 8 ARG H H 1 8.65 0.003 . 1 . . . . 8 ARG HN . 15326 1 40 . 1 1 8 8 ARG C C 13 179.46 0.000 . 1 . . . . 8 ARG CO . 15326 1 41 . 1 1 8 8 ARG CA C 13 60.19 0.043 . 1 . . . . 8 ARG CA . 15326 1 42 . 1 1 8 8 ARG CB C 13 29.95 0.054 . 1 . . . . 8 ARG CB . 15326 1 43 . 1 1 8 8 ARG CD C 13 43.28 0.015 . 1 . . . . 8 ARG CD . 15326 1 44 . 1 1 8 8 ARG CG C 13 28.51 0.010 . 1 . . . . 8 ARG CG . 15326 1 45 . 1 1 8 8 ARG N N 15 118.88 0.022 . 1 . . . . 8 ARG N . 15326 1 46 . 1 1 9 9 ARG H H 1 8.11 0.004 . 1 . . . . 9 ARG HN . 15326 1 47 . 1 1 9 9 ARG C C 13 179.17 0.000 . 1 . . . . 9 ARG CO . 15326 1 48 . 1 1 9 9 ARG CA C 13 58.92 0.038 . 1 . . . . 9 ARG CA . 15326 1 49 . 1 1 9 9 ARG CB C 13 29.51 0.064 . 1 . . . . 9 ARG CB . 15326 1 50 . 1 1 9 9 ARG CD C 13 43.26 0.016 . 1 . . . . 9 ARG CD . 15326 1 51 . 1 1 9 9 ARG CG C 13 27.64 0.020 . 1 . . . . 9 ARG CG . 15326 1 52 . 1 1 9 9 ARG N N 15 119.93 0.006 . 1 . . . . 9 ARG N . 15326 1 53 . 1 1 10 10 GLY H H 1 8.89 0.002 . 1 . . . . 10 GLY HN . 15326 1 54 . 1 1 10 10 GLY C C 13 173.90 0.000 . 1 . . . . 10 GLY CO . 15326 1 55 . 1 1 10 10 GLY CA C 13 47.09 0.024 . 1 . . . . 10 GLY CA . 15326 1 56 . 1 1 10 10 GLY N N 15 106.18 0.005 . 1 . . . . 10 GLY N . 15326 1 57 . 1 1 11 11 LEU H H 1 8.46 0.004 . 1 . . . . 11 LEU HN . 15326 1 58 . 1 1 11 11 LEU C C 13 177.60 0.000 . 1 . . . . 11 LEU CO . 15326 1 59 . 1 1 11 11 LEU CA C 13 57.97 0.016 . 1 . . . . 11 LEU CA . 15326 1 60 . 1 1 11 11 LEU CB C 13 41.35 0.020 . 1 . . . . 11 LEU CB . 15326 1 61 . 1 1 11 11 LEU CD1 C 13 22.29 0.018 . 1 . . . . 11 LEU CD1 . 15326 1 62 . 1 1 11 11 LEU CG C 13 25.45 0.018 . 1 . . . . 11 LEU CG . 15326 1 63 . 1 1 11 11 LEU N N 15 122.80 0.006 . 1 . . . . 11 LEU N . 15326 1 64 . 1 1 12 12 GLN H H 1 7.61 0.005 . 1 . . . . 12 GLN HN . 15326 1 65 . 1 1 12 12 GLN C C 13 176.02 0.000 . 1 . . . . 12 GLN CO . 15326 1 66 . 1 1 12 12 GLN CA C 13 59.45 0.041 . 1 . . . . 12 GLN CA . 15326 1 67 . 1 1 12 12 GLN CB C 13 28.14 0.018 . 1 . . . . 12 GLN CB . 15326 1 68 . 1 1 12 12 GLN CG C 13 33.54 0.164 . 1 . . . . 12 GLN CG . 15326 1 69 . 1 1 12 12 GLN N N 15 117.27 0.009 . 1 . . . . 12 GLN N . 15326 1 70 . 1 1 13 13 VAL H H 1 8.14 0.006 . 1 . . . . 13 VAL HN . 15326 1 71 . 1 1 13 13 VAL C C 13 178.46 0.000 . 1 . . . . 13 VAL CO . 15326 1 72 . 1 1 13 13 VAL CA C 13 66.08 0.032 . 1 . . . . 13 VAL CA . 15326 1 73 . 1 1 13 13 VAL CB C 13 31.90 0.038 . 1 . . . . 13 VAL CB . 15326 1 74 . 1 1 13 13 VAL CG1 C 13 21.64 0.000 . 1 . . . . 13 VAL CG1 . 15326 1 75 . 1 1 13 13 VAL CG2 C 13 22.66 0.000 . 1 . . . . 13 VAL CG2 . 15326 1 76 . 1 1 13 13 VAL N N 15 119.21 0.080 . 1 . . . . 13 VAL N . 15326 1 77 . 1 1 14 14 ALA H H 1 8.52 0.003 . 1 . . . . 14 ALA HN . 15326 1 78 . 1 1 14 14 ALA C C 13 179.05 0.000 . 1 . . . . 14 ALA CO . 15326 1 79 . 1 1 14 14 ALA CA C 13 55.09 0.030 . 1 . . . . 14 ALA CA . 15326 1 80 . 1 1 14 14 ALA CB C 13 18.92 0.020 . 1 . . . . 14 ALA CB . 15326 1 81 . 1 1 14 14 ALA N N 15 121.44 0.020 . 1 . . . . 14 ALA N . 15326 1 82 . 1 1 15 15 LEU H H 1 8.56 0.003 . 1 . . . . 15 LEU HN . 15326 1 83 . 1 1 15 15 LEU C C 13 180.11 0.000 . 1 . . . . 15 LEU CO . 15326 1 84 . 1 1 15 15 LEU CA C 13 58.13 0.042 . 1 . . . . 15 LEU CA . 15326 1 85 . 1 1 15 15 LEU CB C 13 42.43 0.035 . 1 . . . . 15 LEU CB . 15326 1 86 . 1 1 15 15 LEU CD1 C 13 23.85 0.000 . 1 . . . . 15 LEU CD1 . 15326 1 87 . 1 1 15 15 LEU CG C 13 25.94 0.000 . 1 . . . . 15 LEU CG . 15326 1 88 . 1 1 15 15 LEU N N 15 117.63 0.008 . 1 . . . . 15 LEU N . 15326 1 89 . 1 1 16 16 GLU H H 1 8.19 0.004 . 1 . . . . 16 GLU HN . 15326 1 90 . 1 1 16 16 GLU C C 13 178.66 0.000 . 1 . . . . 16 GLU CO . 15326 1 91 . 1 1 16 16 GLU CA C 13 59.54 0.063 . 1 . . . . 16 GLU CA . 15326 1 92 . 1 1 16 16 GLU CB C 13 29.63 0.015 . 1 . . . . 16 GLU CB . 15326 1 93 . 1 1 16 16 GLU CG C 13 36.29 0.016 . 1 . . . . 16 GLU CG . 15326 1 94 . 1 1 16 16 GLU N N 15 122.03 0.036 . 1 . . . . 16 GLU N . 15326 1 95 . 1 1 17 17 GLU H H 1 8.26 0.004 . 1 . . . . 17 GLU HN . 15326 1 96 . 1 1 17 17 GLU C C 13 178.83 0.000 . 1 . . . . 17 GLU CO . 15326 1 97 . 1 1 17 17 GLU CA C 13 58.59 0.032 . 1 . . . . 17 GLU CA . 15326 1 98 . 1 1 17 17 GLU CB C 13 29.18 0.035 . 1 . . . . 17 GLU CB . 15326 1 99 . 1 1 17 17 GLU CG C 13 35.73 0.012 . 1 . . . . 17 GLU CG . 15326 1 100 . 1 1 17 17 GLU N N 15 118.12 0.019 . 1 . . . . 17 GLU N . 15326 1 101 . 1 1 18 18 PHE H H 1 8.62 0.006 . 1 . . . . 18 PHE HN . 15326 1 102 . 1 1 18 18 PHE C C 13 176.17 0.000 . 1 . . . . 18 PHE CO . 15326 1 103 . 1 1 18 18 PHE CA C 13 61.30 0.089 . 1 . . . . 18 PHE CA . 15326 1 104 . 1 1 18 18 PHE CB C 13 39.05 0.003 . 1 . . . . 18 PHE CB . 15326 1 105 . 1 1 18 18 PHE N N 15 118.35 0.055 . 1 . . . . 18 PHE N . 15326 1 106 . 1 1 19 19 HIS H H 1 6.98 0.003 . 1 . . . . 19 HIS HN . 15326 1 107 . 1 1 19 19 HIS N N 15 110.29 0.035 . 1 . . . . 19 HIS N . 15326 1 108 . 1 1 23 23 PRO C C 13 176.84 0.000 . 1 . . . . 23 PRO CO . 15326 1 109 . 1 1 23 23 PRO CA C 13 63.15 0.024 . 1 . . . . 23 PRO CA . 15326 1 110 . 1 1 23 23 PRO CB C 13 32.00 0.032 . 1 . . . . 23 PRO CB . 15326 1 111 . 1 1 23 23 PRO CD C 13 50.35 0.000 . 1 . . . . 23 PRO CD . 15326 1 112 . 1 1 23 23 PRO CG C 13 27.28 0.023 . 1 . . . . 23 PRO CG . 15326 1 113 . 1 1 24 24 VAL H H 1 8.40 0.009 . 1 . . . . 24 VAL HN . 15326 1 114 . 1 1 24 24 VAL C C 13 173.82 0.000 . 1 . . . . 24 VAL CO . 15326 1 115 . 1 1 24 24 VAL CA C 13 55.39 0.076 . 1 . . . . 24 VAL CA . 15326 1 116 . 1 1 24 24 VAL CB C 13 29.41 0.042 . 1 . . . . 24 VAL CB . 15326 1 117 . 1 1 24 24 VAL N N 15 117.20 0.013 . 1 . . . . 24 VAL N . 15326 1 118 . 1 1 25 25 GLN H H 1 8.27 0.012 . 1 . . . . 25 GLN HN . 15326 1 119 . 1 1 25 25 GLN CA C 13 56.12 0.000 . 1 . . . . 25 GLN CA . 15326 1 120 . 1 1 25 25 GLN N N 15 118.82 0.051 . 1 . . . . 25 GLN N . 15326 1 121 . 1 1 26 26 TRP C C 13 174.51 0.000 . 1 . . . . 26 TRP CO . 15326 1 122 . 1 1 26 26 TRP CA C 13 55.68 0.103 . 1 . . . . 26 TRP CA . 15326 1 123 . 1 1 26 26 TRP CB C 13 32.64 0.000 . 1 . . . . 26 TRP CB . 15326 1 124 . 1 1 27 27 ALA H H 1 8.57 0.007 . 1 . . . . 27 ALA HN . 15326 1 125 . 1 1 27 27 ALA CA C 13 51.41 0.000 . 1 . . . . 27 ALA CA . 15326 1 126 . 1 1 27 27 ALA CB C 13 19.77 0.000 . 1 . . . . 27 ALA CB . 15326 1 127 . 1 1 27 27 ALA N N 15 118.13 0.042 . 1 . . . . 27 ALA N . 15326 1 128 . 1 1 28 28 PHE C C 13 174.82 0.000 . 1 . . . . 28 PHE CO . 15326 1 129 . 1 1 28 28 PHE CA C 13 57.17 0.014 . 1 . . . . 28 PHE CA . 15326 1 130 . 1 1 28 28 PHE CB C 13 42.72 0.016 . 1 . . . . 28 PHE CB . 15326 1 131 . 1 1 29 29 GLN H H 1 8.61 0.006 . 1 . . . . 29 GLN HN . 15326 1 132 . 1 1 29 29 GLN C C 13 175.36 0.000 . 1 . . . . 29 GLN CO . 15326 1 133 . 1 1 29 29 GLN CA C 13 53.75 0.072 . 1 . . . . 29 GLN CA . 15326 1 134 . 1 1 29 29 GLN CB C 13 33.32 0.085 . 1 . . . . 29 GLN CB . 15326 1 135 . 1 1 29 29 GLN CG C 13 34.51 0.041 . 1 . . . . 29 GLN CG . 15326 1 136 . 1 1 29 29 GLN N N 15 117.45 0.034 . 1 . . . . 29 GLN N . 15326 1 137 . 1 1 30 30 GLU H H 1 9.41 0.005 . 1 . . . . 30 GLU HN . 15326 1 138 . 1 1 30 30 GLU C C 13 175.75 0.000 . 1 . . . . 30 GLU CO . 15326 1 139 . 1 1 30 30 GLU CA C 13 56.14 0.008 . 1 . . . . 30 GLU CA . 15326 1 140 . 1 1 30 30 GLU CB C 13 27.89 0.096 . 1 . . . . 30 GLU CB . 15326 1 141 . 1 1 30 30 GLU CG C 13 32.67 0.000 . 1 . . . . 30 GLU CG . 15326 1 142 . 1 1 30 30 GLU N N 15 125.47 0.044 . 1 . . . . 30 GLU N . 15326 1 143 . 1 1 31 31 THR H H 1 8.74 0.002 . 1 . . . . 31 THR HN . 15326 1 144 . 1 1 31 31 THR C C 13 175.28 0.000 . 1 . . . . 31 THR CO . 15326 1 145 . 1 1 31 31 THR CA C 13 61.99 0.079 . 1 . . . . 31 THR CA . 15326 1 146 . 1 1 31 31 THR CB C 13 69.08 0.030 . 1 . . . . 31 THR CB . 15326 1 147 . 1 1 31 31 THR CG2 C 13 22.87 0.028 . 1 . . . . 31 THR CG2 . 15326 1 148 . 1 1 31 31 THR N N 15 116.91 0.066 . 1 . . . . 31 THR N . 15326 1 149 . 1 1 32 32 SER H H 1 7.50 0.004 . 1 . . . . 32 SER HN . 15326 1 150 . 1 1 32 32 SER C C 13 173.05 0.000 . 1 . . . . 32 SER CO . 15326 1 151 . 1 1 32 32 SER CA C 13 58.97 0.024 . 1 . . . . 32 SER CA . 15326 1 152 . 1 1 32 32 SER CB C 13 64.31 0.051 . 1 . . . . 32 SER CB . 15326 1 153 . 1 1 32 32 SER N N 15 114.66 0.020 . 1 . . . . 32 SER N . 15326 1 154 . 1 1 33 33 VAL H H 1 8.51 0.004 . 1 . . . . 33 VAL HN . 15326 1 155 . 1 1 33 33 VAL C C 13 175.05 0.000 . 1 . . . . 33 VAL CO . 15326 1 156 . 1 1 33 33 VAL CA C 13 62.67 0.020 . 1 . . . . 33 VAL CA . 15326 1 157 . 1 1 33 33 VAL CB C 13 33.06 0.068 . 1 . . . . 33 VAL CB . 15326 1 158 . 1 1 33 33 VAL CG1 C 13 21.00 0.016 . 1 . . . . 33 VAL CG1 . 15326 1 159 . 1 1 33 33 VAL CG2 C 13 22.23 0.040 . 1 . . . . 33 VAL CG2 . 15326 1 160 . 1 1 33 33 VAL N N 15 121.59 0.045 . 1 . . . . 33 VAL N . 15326 1 161 . 1 1 34 34 GLU H H 1 8.82 0.004 . 1 . . . . 34 GLU HN . 15326 1 162 . 1 1 34 34 GLU C C 13 176.95 0.000 . 1 . . . . 34 GLU CO . 15326 1 163 . 1 1 34 34 GLU CA C 13 57.68 0.045 . 1 . . . . 34 GLU CA . 15326 1 164 . 1 1 34 34 GLU CB C 13 31.44 0.038 . 1 . . . . 34 GLU CB . 15326 1 165 . 1 1 34 34 GLU CG C 13 37.11 0.013 . 1 . . . . 34 GLU CG . 15326 1 166 . 1 1 34 34 GLU N N 15 126.57 0.019 . 1 . . . . 34 GLU N . 15326 1 167 . 1 1 35 35 SER H H 1 8.04 0.003 . 1 . . . . 35 SER HN . 15326 1 168 . 1 1 35 35 SER C C 13 172.16 0.000 . 1 . . . . 35 SER CO . 15326 1 169 . 1 1 35 35 SER CA C 13 57.90 0.026 . 1 . . . . 35 SER CA . 15326 1 170 . 1 1 35 35 SER CB C 13 64.66 0.026 . 1 . . . . 35 SER CB . 15326 1 171 . 1 1 35 35 SER N N 15 111.39 0.011 . 1 . . . . 35 SER N . 15326 1 172 . 1 1 36 36 ALA H H 1 8.49 0.003 . 1 . . . . 36 ALA HN . 15326 1 173 . 1 1 36 36 ALA C C 13 174.49 0.000 . 1 . . . . 36 ALA CO . 15326 1 174 . 1 1 36 36 ALA CA C 13 52.60 0.025 . 1 . . . . 36 ALA CA . 15326 1 175 . 1 1 36 36 ALA CB C 13 22.36 0.036 . 1 . . . . 36 ALA CB . 15326 1 176 . 1 1 36 36 ALA N N 15 126.11 0.007 . 1 . . . . 36 ALA N . 15326 1 177 . 1 1 37 37 VAL H H 1 8.38 0.005 . 1 . . . . 37 VAL HN . 15326 1 178 . 1 1 37 37 VAL C C 13 174.09 0.000 . 1 . . . . 37 VAL CO . 15326 1 179 . 1 1 37 37 VAL CA C 13 61.31 0.019 . 1 . . . . 37 VAL CA . 15326 1 180 . 1 1 37 37 VAL CB C 13 36.45 0.022 . 1 . . . . 37 VAL CB . 15326 1 181 . 1 1 37 37 VAL CG1 C 13 21.20 0.019 . 1 . . . . 37 VAL CG1 . 15326 1 182 . 1 1 37 37 VAL N N 15 120.50 0.008 . 1 . . . . 37 VAL N . 15326 1 183 . 1 1 38 38 ASP H H 1 8.57 0.003 . 1 . . . . 38 ASP HN . 15326 1 184 . 1 1 38 38 ASP C C 13 175.60 0.000 . 1 . . . . 38 ASP CO . 15326 1 185 . 1 1 38 38 ASP CA C 13 53.24 0.048 . 1 . . . . 38 ASP CA . 15326 1 186 . 1 1 38 38 ASP CB C 13 44.17 0.032 . 1 . . . . 38 ASP CB . 15326 1 187 . 1 1 38 38 ASP N N 15 124.45 0.009 . 1 . . . . 38 ASP N . 15326 1 188 . 1 1 39 39 THR H H 1 9.51 0.003 . 1 . . . . 39 THR HN . 15326 1 189 . 1 1 39 39 THR CA C 13 59.68 0.000 . 1 . . . . 39 THR CA . 15326 1 190 . 1 1 39 39 THR CB C 13 72.93 0.000 . 1 . . . . 39 THR CB . 15326 1 191 . 1 1 39 39 THR N N 15 117.48 0.006 . 1 . . . . 39 THR N . 15326 1 192 . 1 1 40 40 PRO C C 13 174.89 0.000 . 1 . . . . 40 PRO CO . 15326 1 193 . 1 1 40 40 PRO CA C 13 63.35 0.025 . 1 . . . . 40 PRO CA . 15326 1 194 . 1 1 40 40 PRO CB C 13 32.26 0.039 . 1 . . . . 40 PRO CB . 15326 1 195 . 1 1 40 40 PRO CD C 13 51.33 0.000 . 1 . . . . 40 PRO CD . 15326 1 196 . 1 1 40 40 PRO CG C 13 26.99 0.011 . 1 . . . . 40 PRO CG . 15326 1 197 . 1 1 41 41 PHE H H 1 8.64 0.005 . 1 . . . . 41 PHE HN . 15326 1 198 . 1 1 41 41 PHE CA C 13 56.99 0.000 . 1 . . . . 41 PHE CA . 15326 1 199 . 1 1 41 41 PHE CB C 13 41.10 0.000 . 1 . . . . 41 PHE CB . 15326 1 200 . 1 1 41 41 PHE N N 15 123.03 0.005 . 1 . . . . 41 PHE N . 15326 1 201 . 1 1 42 42 PRO C C 13 178.73 0.000 . 1 . . . . 42 PRO CO . 15326 1 202 . 1 1 42 42 PRO CA C 13 66.70 0.027 . 1 . . . . 42 PRO CA . 15326 1 203 . 1 1 42 42 PRO CB C 13 31.29 0.023 . 1 . . . . 42 PRO CB . 15326 1 204 . 1 1 42 42 PRO CG C 13 28.40 0.000 . 1 . . . . 42 PRO CG . 15326 1 205 . 1 1 43 43 ALA H H 1 9.52 0.002 . 1 . . . . 43 ALA HN . 15326 1 206 . 1 1 43 43 ALA C C 13 177.57 0.000 . 1 . . . . 43 ALA CO . 15326 1 207 . 1 1 43 43 ALA CA C 13 51.92 0.031 . 1 . . . . 43 ALA CA . 15326 1 208 . 1 1 43 43 ALA CB C 13 18.83 0.055 . 1 . . . . 43 ALA CB . 15326 1 209 . 1 1 43 43 ALA N N 15 116.20 0.007 . 1 . . . . 43 ALA N . 15326 1 210 . 1 1 44 44 GLY H H 1 7.50 0.003 . 1 . . . . 44 GLY HN . 15326 1 211 . 1 1 44 44 GLY C C 13 171.63 0.000 . 1 . . . . 44 GLY CO . 15326 1 212 . 1 1 44 44 GLY CA C 13 45.44 0.031 . 1 . . . . 44 GLY CA . 15326 1 213 . 1 1 44 44 GLY N N 15 103.64 0.003 . 1 . . . . 44 GLY N . 15326 1 214 . 1 1 45 45 ILE H H 1 8.56 0.004 . 1 . . . . 45 ILE HN . 15326 1 215 . 1 1 45 45 ILE C C 13 175.33 0.000 . 1 . . . . 45 ILE CO . 15326 1 216 . 1 1 45 45 ILE CA C 13 60.77 0.029 . 1 . . . . 45 ILE CA . 15326 1 217 . 1 1 45 45 ILE CB C 13 40.82 0.057 . 1 . . . . 45 ILE CB . 15326 1 218 . 1 1 45 45 ILE CD1 C 13 13.02 0.014 . 1 . . . . 45 ILE CD1 . 15326 1 219 . 1 1 45 45 ILE CG1 C 13 28.13 0.029 . 1 . . . . 45 ILE CG1 . 15326 1 220 . 1 1 45 45 ILE CG2 C 13 18.38 0.018 . 1 . . . . 45 ILE CG2 . 15326 1 221 . 1 1 45 45 ILE N N 15 119.42 0.005 . 1 . . . . 45 ILE N . 15326 1 222 . 1 1 46 46 PHE H H 1 9.26 0.003 . 1 . . . . 46 PHE HN . 15326 1 223 . 1 1 46 46 PHE C C 13 172.79 0.000 . 1 . . . . 46 PHE CO . 15326 1 224 . 1 1 46 46 PHE CA C 13 56.27 0.032 . 1 . . . . 46 PHE CA . 15326 1 225 . 1 1 46 46 PHE CB C 13 42.36 0.020 . 1 . . . . 46 PHE CB . 15326 1 226 . 1 1 46 46 PHE N N 15 127.71 0.022 . 1 . . . . 46 PHE N . 15326 1 227 . 1 1 47 47 VAL H H 1 9.10 0.003 . 1 . . . . 47 VAL HN . 15326 1 228 . 1 1 47 47 VAL C C 13 173.03 0.000 . 1 . . . . 47 VAL CO . 15326 1 229 . 1 1 47 47 VAL CA C 13 60.47 0.044 . 1 . . . . 47 VAL CA . 15326 1 230 . 1 1 47 47 VAL CB C 13 35.12 0.060 . 1 . . . . 47 VAL CB . 15326 1 231 . 1 1 47 47 VAL CG1 C 13 20.97 0.012 . 1 . . . . 47 VAL CG1 . 15326 1 232 . 1 1 47 47 VAL CG2 C 13 22.32 0.017 . 1 . . . . 47 VAL CG2 . 15326 1 233 . 1 1 47 47 VAL N N 15 128.34 0.008 . 1 . . . . 47 VAL N . 15326 1 234 . 1 1 48 48 ARG H H 1 8.35 0.003 . 1 . . . . 48 ARG HN . 15326 1 235 . 1 1 48 48 ARG C C 13 175.90 0.000 . 1 . . . . 48 ARG CO . 15326 1 236 . 1 1 48 48 ARG CA C 13 54.49 0.047 . 1 . . . . 48 ARG CA . 15326 1 237 . 1 1 48 48 ARG CB C 13 32.79 0.048 . 1 . . . . 48 ARG CB . 15326 1 238 . 1 1 48 48 ARG CD C 13 43.75 0.000 . 1 . . . . 48 ARG CD . 15326 1 239 . 1 1 48 48 ARG CG C 13 28.13 0.000 . 1 . . . . 48 ARG CG . 15326 1 240 . 1 1 48 48 ARG N N 15 125.57 0.007 . 1 . . . . 48 ARG N . 15326 1 241 . 1 1 49 49 LEU H H 1 9.48 0.005 . 1 . . . . 49 LEU HN . 15326 1 242 . 1 1 49 49 LEU C C 13 175.38 0.000 . 1 . . . . 49 LEU CO . 15326 1 243 . 1 1 49 49 LEU CA C 13 53.49 0.038 . 1 . . . . 49 LEU CA . 15326 1 244 . 1 1 49 49 LEU CB C 13 48.53 0.033 . 1 . . . . 49 LEU CB . 15326 1 245 . 1 1 49 49 LEU N N 15 127.81 0.009 . 1 . . . . 49 LEU N . 15326 1 246 . 1 1 50 50 GLU H H 1 8.77 0.003 . 1 . . . . 50 GLU HN . 15326 1 247 . 1 1 50 50 GLU C C 13 176.02 0.000 . 1 . . . . 50 GLU CO . 15326 1 248 . 1 1 50 50 GLU CA C 13 55.37 0.061 . 1 . . . . 50 GLU CA . 15326 1 249 . 1 1 50 50 GLU CB C 13 32.53 0.034 . 1 . . . . 50 GLU CB . 15326 1 250 . 1 1 50 50 GLU CG C 13 37.13 0.023 . 1 . . . . 50 GLU CG . 15326 1 251 . 1 1 50 50 GLU N N 15 118.80 0.010 . 1 . . . . 50 GLU N . 15326 1 252 . 1 1 51 51 PHE H H 1 8.44 0.008 . 1 . . . . 51 PHE HN . 15326 1 253 . 1 1 51 51 PHE C C 13 171.61 0.000 . 1 . . . . 51 PHE CO . 15326 1 254 . 1 1 51 51 PHE CA C 13 55.59 0.020 . 1 . . . . 51 PHE CA . 15326 1 255 . 1 1 51 51 PHE CB C 13 41.14 0.045 . 1 . . . . 51 PHE CB . 15326 1 256 . 1 1 51 51 PHE N N 15 118.71 0.033 . 1 . . . . 51 PHE N . 15326 1 257 . 1 1 52 52 LYS H H 1 8.91 0.005 . 1 . . . . 52 LYS HN . 15326 1 258 . 1 1 52 52 LYS C C 13 175.62 0.000 . 1 . . . . 52 LYS CO . 15326 1 259 . 1 1 52 52 LYS CA C 13 55.34 0.007 . 1 . . . . 52 LYS CA . 15326 1 260 . 1 1 52 52 LYS CB C 13 35.11 0.011 . 1 . . . . 52 LYS CB . 15326 1 261 . 1 1 52 52 LYS CD C 13 29.27 0.000 . 1 . . . . 52 LYS CD . 15326 1 262 . 1 1 52 52 LYS CE C 13 42.03 0.000 . 1 . . . . 52 LYS CE . 15326 1 263 . 1 1 52 52 LYS CG C 13 25.89 0.000 . 1 . . . . 52 LYS CG . 15326 1 264 . 1 1 52 52 LYS N N 15 119.79 0.016 . 1 . . . . 52 LYS N . 15326 1 265 . 1 1 53 53 LEU H H 1 8.55 0.005 . 1 . . . . 53 LEU HN . 15326 1 266 . 1 1 53 53 LEU C C 13 176.84 0.000 . 1 . . . . 53 LEU CO . 15326 1 267 . 1 1 53 53 LEU CA C 13 52.72 0.084 . 1 . . . . 53 LEU CA . 15326 1 268 . 1 1 53 53 LEU CB C 13 47.80 0.025 . 1 . . . . 53 LEU CB . 15326 1 269 . 1 1 53 53 LEU CD1 C 13 23.53 0.022 . 1 . . . . 53 LEU CD1 . 15326 1 270 . 1 1 53 53 LEU CG C 13 25.66 0.000 . 1 . . . . 53 LEU CG . 15326 1 271 . 1 1 53 53 LEU N N 15 118.91 0.044 . 1 . . . . 53 LEU N . 15326 1 272 . 1 1 54 54 GLN H H 1 9.28 0.004 . 1 . . . . 54 GLN HN . 15326 1 273 . 1 1 54 54 GLN C C 13 174.15 0.000 . 1 . . . . 54 GLN CO . 15326 1 274 . 1 1 54 54 GLN CA C 13 55.29 0.038 . 1 . . . . 54 GLN CA . 15326 1 275 . 1 1 54 54 GLN CB C 13 33.06 0.031 . 1 . . . . 54 GLN CB . 15326 1 276 . 1 1 54 54 GLN CG C 13 34.33 0.012 . 1 . . . . 54 GLN CG . 15326 1 277 . 1 1 54 54 GLN N N 15 119.96 0.022 . 1 . . . . 54 GLN N . 15326 1 278 . 1 1 55 55 GLN H H 1 8.30 0.006 . 1 . . . . 55 GLN HN . 15326 1 279 . 1 1 55 55 GLN C C 13 174.68 0.000 . 1 . . . . 55 GLN CO . 15326 1 280 . 1 1 55 55 GLN CA C 13 57.33 0.052 . 1 . . . . 55 GLN CA . 15326 1 281 . 1 1 55 55 GLN CB C 13 31.21 0.064 . 1 . . . . 55 GLN CB . 15326 1 282 . 1 1 55 55 GLN CG C 13 32.34 0.003 . 1 . . . . 55 GLN CG . 15326 1 283 . 1 1 55 55 GLN N N 15 126.79 0.022 . 1 . . . . 55 GLN N . 15326 1 284 . 1 1 56 56 THR H H 1 8.23 0.006 . 1 . . . . 56 THR HN . 15326 1 285 . 1 1 56 56 THR C C 13 174.12 0.000 . 1 . . . . 56 THR CO . 15326 1 286 . 1 1 56 56 THR CA C 13 61.04 0.082 . 1 . . . . 56 THR CA . 15326 1 287 . 1 1 56 56 THR CB C 13 72.65 0.026 . 1 . . . . 56 THR CB . 15326 1 288 . 1 1 56 56 THR N N 15 114.65 0.050 . 1 . . . . 56 THR N . 15326 1 289 . 1 1 57 57 SER H H 1 8.08 0.004 . 1 . . . . 57 SER HN . 15326 1 290 . 1 1 57 57 SER C C 13 174.85 0.000 . 1 . . . . 57 SER CO . 15326 1 291 . 1 1 57 57 SER CA C 13 58.64 0.047 . 1 . . . . 57 SER CA . 15326 1 292 . 1 1 57 57 SER CB C 13 63.36 0.023 . 1 . . . . 57 SER CB . 15326 1 293 . 1 1 57 57 SER N N 15 109.04 0.055 . 1 . . . . 57 SER N . 15326 1 294 . 1 1 58 58 CYS H H 1 8.67 0.008 . 1 . . . . 58 CYS HN . 15326 1 295 . 1 1 58 58 CYS C C 13 174.76 0.000 . 1 . . . . 58 CYS CO . 15326 1 296 . 1 1 58 58 CYS CA C 13 54.05 0.037 . 1 . . . . 58 CYS CA . 15326 1 297 . 1 1 58 58 CYS CB C 13 44.52 0.016 . 1 . . . . 58 CYS CB . 15326 1 298 . 1 1 58 58 CYS N N 15 119.56 0.007 . 1 . . . . 58 CYS N . 15326 1 299 . 1 1 59 59 ARG H H 1 9.40 0.003 . 1 . . . . 59 ARG HN . 15326 1 300 . 1 1 59 59 ARG C C 13 177.91 0.000 . 1 . . . . 59 ARG CO . 15326 1 301 . 1 1 59 59 ARG CA C 13 55.87 0.055 . 1 . . . . 59 ARG CA . 15326 1 302 . 1 1 59 59 ARG CB C 13 30.35 0.094 . 1 . . . . 59 ARG CB . 15326 1 303 . 1 1 59 59 ARG N N 15 120.88 0.008 . 1 . . . . 59 ARG N . 15326 1 304 . 1 1 60 60 LYS H H 1 7.72 0.005 . 1 . . . . 60 LYS HN . 15326 1 305 . 1 1 60 60 LYS C C 13 176.82 0.000 . 1 . . . . 60 LYS CO . 15326 1 306 . 1 1 60 60 LYS CA C 13 61.32 0.048 . 1 . . . . 60 LYS CA . 15326 1 307 . 1 1 60 60 LYS CB C 13 31.94 0.037 . 1 . . . . 60 LYS CB . 15326 1 308 . 1 1 60 60 LYS CG C 13 23.32 0.000 . 1 . . . . 60 LYS CG . 15326 1 309 . 1 1 60 60 LYS N N 15 120.28 0.045 . 1 . . . . 60 LYS N . 15326 1 310 . 1 1 61 61 ARG H H 1 8.39 0.003 . 1 . . . . 61 ARG HN . 15326 1 311 . 1 1 61 61 ARG C C 13 176.90 0.000 . 1 . . . . 61 ARG CO . 15326 1 312 . 1 1 61 61 ARG CA C 13 58.13 0.042 . 1 . . . . 61 ARG CA . 15326 1 313 . 1 1 61 61 ARG CB C 13 29.45 0.031 . 1 . . . . 61 ARG CB . 15326 1 314 . 1 1 61 61 ARG CD C 13 43.53 0.013 . 1 . . . . 61 ARG CD . 15326 1 315 . 1 1 61 61 ARG CG C 13 26.21 0.013 . 1 . . . . 61 ARG CG . 15326 1 316 . 1 1 61 61 ARG N N 15 114.81 0.042 . 1 . . . . 61 ARG N . 15326 1 317 . 1 1 62 62 ASP H H 1 7.86 0.002 . 1 . . . . 62 ASP HN . 15326 1 318 . 1 1 62 62 ASP C C 13 175.92 0.000 . 1 . . . . 62 ASP CO . 15326 1 319 . 1 1 62 62 ASP CA C 13 54.50 0.059 . 1 . . . . 62 ASP CA . 15326 1 320 . 1 1 62 62 ASP CB C 13 41.76 0.054 . 1 . . . . 62 ASP CB . 15326 1 321 . 1 1 62 62 ASP N N 15 119.10 0.014 . 1 . . . . 62 ASP N . 15326 1 322 . 1 1 63 63 TRP H H 1 7.45 0.011 . 1 . . . . 63 TRP HN . 15326 1 323 . 1 1 63 63 TRP C C 13 176.28 0.000 . 1 . . . . 63 TRP CO . 15326 1 324 . 1 1 63 63 TRP CA C 13 59.98 0.045 . 1 . . . . 63 TRP CA . 15326 1 325 . 1 1 63 63 TRP CB C 13 27.41 0.038 . 1 . . . . 63 TRP CB . 15326 1 326 . 1 1 63 63 TRP N N 15 115.84 0.045 . 1 . . . . 63 TRP N . 15326 1 327 . 1 1 64 64 LYS H H 1 7.66 0.005 . 1 . . . . 64 LYS HN . 15326 1 328 . 1 1 64 64 LYS C C 13 177.61 0.000 . 1 . . . . 64 LYS CO . 15326 1 329 . 1 1 64 64 LYS CA C 13 56.70 0.055 . 1 . . . . 64 LYS CA . 15326 1 330 . 1 1 64 64 LYS CB C 13 31.85 0.024 . 1 . . . . 64 LYS CB . 15326 1 331 . 1 1 64 64 LYS CD C 13 29.02 0.000 . 1 . . . . 64 LYS CD . 15326 1 332 . 1 1 64 64 LYS CE C 13 41.71 0.000 . 1 . . . . 64 LYS CE . 15326 1 333 . 1 1 64 64 LYS CG C 13 23.56 0.029 . 1 . . . . 64 LYS CG . 15326 1 334 . 1 1 64 64 LYS N N 15 118.58 0.013 . 1 . . . . 64 LYS N . 15326 1 335 . 1 1 65 65 LYS H H 1 8.06 0.003 . 1 . . . . 65 LYS HN . 15326 1 336 . 1 1 65 65 LYS CA C 13 55.82 0.000 . 1 . . . . 65 LYS CA . 15326 1 337 . 1 1 65 65 LYS CB C 13 31.32 0.000 . 1 . . . . 65 LYS CB . 15326 1 338 . 1 1 65 65 LYS N N 15 121.54 0.032 . 1 . . . . 65 LYS N . 15326 1 339 . 1 1 66 66 PRO C C 13 177.64 0.000 . 1 . . . . 66 PRO CO . 15326 1 340 . 1 1 66 66 PRO CA C 13 64.35 0.038 . 1 . . . . 66 PRO CA . 15326 1 341 . 1 1 66 66 PRO CB C 13 31.77 0.041 . 1 . . . . 66 PRO CB . 15326 1 342 . 1 1 66 66 PRO CG C 13 27.25 0.000 . 1 . . . . 66 PRO CG . 15326 1 343 . 1 1 67 67 GLU H H 1 8.75 0.004 . 1 . . . . 67 GLU HN . 15326 1 344 . 1 1 67 67 GLU C C 13 176.85 0.000 . 1 . . . . 67 GLU CO . 15326 1 345 . 1 1 67 67 GLU CA C 13 57.66 0.026 . 1 . . . . 67 GLU CA . 15326 1 346 . 1 1 67 67 GLU CB C 13 28.67 0.031 . 1 . . . . 67 GLU CB . 15326 1 347 . 1 1 67 67 GLU CG C 13 36.03 0.017 . 1 . . . . 67 GLU CG . 15326 1 348 . 1 1 67 67 GLU N N 15 114.60 0.028 . 1 . . . . 67 GLU N . 15326 1 349 . 1 1 68 68 CYS H H 1 7.26 0.003 . 1 . . . . 68 CYS HN . 15326 1 350 . 1 1 68 68 CYS C C 13 173.75 0.000 . 1 . . . . 68 CYS CO . 15326 1 351 . 1 1 68 68 CYS CA C 13 56.42 0.036 . 1 . . . . 68 CYS CA . 15326 1 352 . 1 1 68 68 CYS CB C 13 40.10 0.056 . 1 . . . . 68 CYS CB . 15326 1 353 . 1 1 68 68 CYS N N 15 119.51 0.013 . 1 . . . . 68 CYS N . 15326 1 354 . 1 1 69 69 LYS H H 1 8.36 0.005 . 1 . . . . 69 LYS HN . 15326 1 355 . 1 1 69 69 LYS C C 13 177.00 0.000 . 1 . . . . 69 LYS CO . 15326 1 356 . 1 1 69 69 LYS CA C 13 54.26 0.050 . 1 . . . . 69 LYS CA . 15326 1 357 . 1 1 69 69 LYS CB C 13 35.19 0.024 . 1 . . . . 69 LYS CB . 15326 1 358 . 1 1 69 69 LYS CD C 13 28.88 0.000 . 1 . . . . 69 LYS CD . 15326 1 359 . 1 1 69 69 LYS CE C 13 42.23 0.000 . 1 . . . . 69 LYS CE . 15326 1 360 . 1 1 69 69 LYS CG C 13 24.22 0.000 . 1 . . . . 69 LYS CG . 15326 1 361 . 1 1 69 69 LYS N N 15 122.19 0.021 . 1 . . . . 69 LYS N . 15326 1 362 . 1 1 70 70 VAL H H 1 8.57 0.004 . 1 . . . . 70 VAL HN . 15326 1 363 . 1 1 70 70 VAL C C 13 176.00 0.000 . 1 . . . . 70 VAL CO . 15326 1 364 . 1 1 70 70 VAL CA C 13 63.62 0.012 . 1 . . . . 70 VAL CA . 15326 1 365 . 1 1 70 70 VAL CB C 13 32.47 0.040 . 1 . . . . 70 VAL CB . 15326 1 366 . 1 1 70 70 VAL CG1 C 13 21.50 0.000 . 1 . . . . 70 VAL CG1 . 15326 1 367 . 1 1 70 70 VAL CG2 C 13 22.06 0.051 . 1 . . . . 70 VAL CG2 . 15326 1 368 . 1 1 70 70 VAL N N 15 120.89 0.030 . 1 . . . . 70 VAL N . 15326 1 369 . 1 1 71 71 ARG H H 1 8.73 0.003 . 1 . . . . 71 ARG HN . 15326 1 370 . 1 1 71 71 ARG CA C 13 52.77 0.000 . 1 . . . . 71 ARG CA . 15326 1 371 . 1 1 71 71 ARG CB C 13 30.80 0.000 . 1 . . . . 71 ARG CB . 15326 1 372 . 1 1 71 71 ARG N N 15 126.52 0.019 . 1 . . . . 71 ARG N . 15326 1 373 . 1 1 72 72 PRO C C 13 177.05 0.000 . 1 . . . . 72 PRO CO . 15326 1 374 . 1 1 72 72 PRO CA C 13 64.61 0.024 . 1 . . . . 72 PRO CA . 15326 1 375 . 1 1 72 72 PRO CB C 13 31.77 0.010 . 1 . . . . 72 PRO CB . 15326 1 376 . 1 1 72 72 PRO CD C 13 50.99 0.000 . 1 . . . . 72 PRO CD . 15326 1 377 . 1 1 72 72 PRO CG C 13 27.52 0.001 . 1 . . . . 72 PRO CG . 15326 1 378 . 1 1 73 73 ASN H H 1 8.38 0.004 . 1 . . . . 73 ASN HN . 15326 1 379 . 1 1 73 73 ASN C C 13 175.52 0.000 . 1 . . . . 73 ASN CO . 15326 1 380 . 1 1 73 73 ASN CA C 13 52.71 0.052 . 1 . . . . 73 ASN CA . 15326 1 381 . 1 1 73 73 ASN CB C 13 37.48 0.021 . 1 . . . . 73 ASN CB . 15326 1 382 . 1 1 73 73 ASN N N 15 114.14 0.019 . 1 . . . . 73 ASN N . 15326 1 383 . 1 1 74 74 GLY H H 1 7.83 0.006 . 1 . . . . 74 GLY HN . 15326 1 384 . 1 1 74 74 GLY C C 13 172.70 0.000 . 1 . . . . 74 GLY CO . 15326 1 385 . 1 1 74 74 GLY CA C 13 44.89 0.030 . 1 . . . . 74 GLY CA . 15326 1 386 . 1 1 74 74 GLY N N 15 105.38 0.018 . 1 . . . . 74 GLY N . 15326 1 387 . 1 1 75 75 ARG H H 1 8.09 0.003 . 1 . . . . 75 ARG HN . 15326 1 388 . 1 1 75 75 ARG C C 13 175.42 0.000 . 1 . . . . 75 ARG CO . 15326 1 389 . 1 1 75 75 ARG CA C 13 57.10 0.042 . 1 . . . . 75 ARG CA . 15326 1 390 . 1 1 75 75 ARG CB C 13 31.29 0.028 . 1 . . . . 75 ARG CB . 15326 1 391 . 1 1 75 75 ARG CD C 13 43.50 0.000 . 1 . . . . 75 ARG CD . 15326 1 392 . 1 1 75 75 ARG CG C 13 27.26 0.011 . 1 . . . . 75 ARG CG . 15326 1 393 . 1 1 75 75 ARG N N 15 119.63 0.021 . 1 . . . . 75 ARG N . 15326 1 394 . 1 1 76 76 LYS H H 1 8.64 0.003 . 1 . . . . 76 LYS HN . 15326 1 395 . 1 1 76 76 LYS C C 13 176.44 0.000 . 1 . . . . 76 LYS CO . 15326 1 396 . 1 1 76 76 LYS CA C 13 55.58 0.073 . 1 . . . . 76 LYS CA . 15326 1 397 . 1 1 76 76 LYS CB C 13 35.59 0.038 . 1 . . . . 76 LYS CB . 15326 1 398 . 1 1 76 76 LYS CD C 13 29.60 0.025 . 1 . . . . 76 LYS CD . 15326 1 399 . 1 1 76 76 LYS CE C 13 42.01 0.000 . 1 . . . . 76 LYS CE . 15326 1 400 . 1 1 76 76 LYS CG C 13 25.68 0.016 . 1 . . . . 76 LYS CG . 15326 1 401 . 1 1 76 76 LYS N N 15 121.60 0.043 . 1 . . . . 76 LYS N . 15326 1 402 . 1 1 77 77 ARG H H 1 8.77 0.006 . 1 . . . . 77 ARG HN . 15326 1 403 . 1 1 77 77 ARG C C 13 174.06 0.000 . 1 . . . . 77 ARG CO . 15326 1 404 . 1 1 77 77 ARG CA C 13 53.93 0.062 . 1 . . . . 77 ARG CA . 15326 1 405 . 1 1 77 77 ARG CB C 13 34.35 0.037 . 1 . . . . 77 ARG CB . 15326 1 406 . 1 1 77 77 ARG CD C 13 43.00 0.007 . 1 . . . . 77 ARG CD . 15326 1 407 . 1 1 77 77 ARG CG C 13 28.58 0.004 . 1 . . . . 77 ARG CG . 15326 1 408 . 1 1 77 77 ARG N N 15 118.78 0.012 . 1 . . . . 77 ARG N . 15326 1 409 . 1 1 78 78 LYS H H 1 8.29 0.013 . 1 . . . . 78 LYS HN . 15326 1 410 . 1 1 78 78 LYS C C 13 175.06 0.000 . 1 . . . . 78 LYS CO . 15326 1 411 . 1 1 78 78 LYS CA C 13 55.28 0.153 . 1 . . . . 78 LYS CA . 15326 1 412 . 1 1 78 78 LYS CB C 13 34.35 0.022 . 1 . . . . 78 LYS CB . 15326 1 413 . 1 1 78 78 LYS CE C 13 41.98 0.016 . 1 . . . . 78 LYS CE . 15326 1 414 . 1 1 78 78 LYS CG C 13 24.90 0.025 . 1 . . . . 78 LYS CG . 15326 1 415 . 1 1 78 78 LYS N N 15 122.76 0.015 . 1 . . . . 78 LYS N . 15326 1 416 . 1 1 79 79 CYS H H 1 8.68 0.005 . 1 . . . . 79 CYS HN . 15326 1 417 . 1 1 79 79 CYS C C 13 173.92 0.000 . 1 . . . . 79 CYS CO . 15326 1 418 . 1 1 79 79 CYS CA C 13 55.29 0.077 . 1 . . . . 79 CYS CA . 15326 1 419 . 1 1 79 79 CYS CB C 13 46.57 0.046 . 1 . . . . 79 CYS CB . 15326 1 420 . 1 1 79 79 CYS N N 15 119.94 0.008 . 1 . . . . 79 CYS N . 15326 1 421 . 1 1 80 80 LEU H H 1 8.74 0.003 . 1 . . . . 80 LEU HN . 15326 1 422 . 1 1 80 80 LEU C C 13 174.66 0.000 . 1 . . . . 80 LEU CO . 15326 1 423 . 1 1 80 80 LEU CA C 13 54.03 0.023 . 1 . . . . 80 LEU CA . 15326 1 424 . 1 1 80 80 LEU CB C 13 45.21 0.049 . 1 . . . . 80 LEU CB . 15326 1 425 . 1 1 80 80 LEU CD1 C 13 22.85 0.000 . 1 . . . . 80 LEU CD1 . 15326 1 426 . 1 1 80 80 LEU CG C 13 26.17 0.015 . 1 . . . . 80 LEU CG . 15326 1 427 . 1 1 80 80 LEU N N 15 124.13 0.020 . 1 . . . . 80 LEU N . 15326 1 428 . 1 1 81 81 ALA H H 1 9.40 0.004 . 1 . . . . 81 ALA HN . 15326 1 429 . 1 1 81 81 ALA C C 13 174.92 0.000 . 1 . . . . 81 ALA CO . 15326 1 430 . 1 1 81 81 ALA CA C 13 49.84 0.025 . 1 . . . . 81 ALA CA . 15326 1 431 . 1 1 81 81 ALA CB C 13 23.68 0.040 . 1 . . . . 81 ALA CB . 15326 1 432 . 1 1 81 81 ALA N N 15 125.40 0.011 . 1 . . . . 81 ALA N . 15326 1 433 . 1 1 82 82 CYS H H 1 9.22 0.003 . 1 . . . . 82 CYS HN . 15326 1 434 . 1 1 82 82 CYS C C 13 172.28 0.000 . 1 . . . . 82 CYS CO . 15326 1 435 . 1 1 82 82 CYS CA C 13 54.02 0.055 . 1 . . . . 82 CYS CA . 15326 1 436 . 1 1 82 82 CYS CB C 13 48.07 0.041 . 1 . . . . 82 CYS CB . 15326 1 437 . 1 1 82 82 CYS N N 15 120.26 0.017 . 1 . . . . 82 CYS N . 15326 1 438 . 1 1 83 83 ILE H H 1 9.32 0.004 . 1 . . . . 83 ILE HN . 15326 1 439 . 1 1 83 83 ILE C C 13 172.85 0.000 . 1 . . . . 83 ILE CO . 15326 1 440 . 1 1 83 83 ILE CA C 13 58.95 0.021 . 1 . . . . 83 ILE CA . 15326 1 441 . 1 1 83 83 ILE CB C 13 41.86 0.013 . 1 . . . . 83 ILE CB . 15326 1 442 . 1 1 83 83 ILE CD1 C 13 12.95 0.027 . 1 . . . . 83 ILE CD1 . 15326 1 443 . 1 1 83 83 ILE CG1 C 13 26.79 0.000 . 1 . . . . 83 ILE CG1 . 15326 1 444 . 1 1 83 83 ILE CG2 C 13 19.20 0.016 . 1 . . . . 83 ILE CG2 . 15326 1 445 . 1 1 83 83 ILE N N 15 124.54 0.012 . 1 . . . . 83 ILE N . 15326 1 446 . 1 1 84 84 LYS H H 1 8.46 0.005 . 1 . . . . 84 LYS HN . 15326 1 447 . 1 1 84 84 LYS C C 13 174.48 0.000 . 1 . . . . 84 LYS CO . 15326 1 448 . 1 1 84 84 LYS CA C 13 53.32 0.020 . 1 . . . . 84 LYS CA . 15326 1 449 . 1 1 84 84 LYS CB C 13 34.40 0.026 . 1 . . . . 84 LYS CB . 15326 1 450 . 1 1 84 84 LYS CD C 13 30.01 0.000 . 1 . . . . 84 LYS CD . 15326 1 451 . 1 1 84 84 LYS CE C 13 42.34 0.077 . 1 . . . . 84 LYS CE . 15326 1 452 . 1 1 84 84 LYS CG C 13 25.39 0.014 . 1 . . . . 84 LYS CG . 15326 1 453 . 1 1 84 84 LYS N N 15 127.05 0.012 . 1 . . . . 84 LYS N . 15326 1 454 . 1 1 85 85 LEU H H 1 9.43 0.003 . 1 . . . . 85 LEU HN . 15326 1 455 . 1 1 85 85 LEU C C 13 176.62 0.000 . 1 . . . . 85 LEU CO . 15326 1 456 . 1 1 85 85 LEU CA C 13 54.26 0.048 . 1 . . . . 85 LEU CA . 15326 1 457 . 1 1 85 85 LEU CB C 13 43.38 0.032 . 1 . . . . 85 LEU CB . 15326 1 458 . 1 1 85 85 LEU CD1 C 13 23.86 0.016 . 1 . . . . 85 LEU CD1 . 15326 1 459 . 1 1 85 85 LEU CG C 13 26.44 0.009 . 1 . . . . 85 LEU CG . 15326 1 460 . 1 1 85 85 LEU N N 15 129.96 0.013 . 1 . . . . 85 LEU N . 15326 1 461 . 1 1 86 86 GLY H H 1 8.65 0.007 . 1 . . . . 86 GLY HN . 15326 1 462 . 1 1 86 86 GLY C C 13 173.89 0.000 . 1 . . . . 86 GLY CO . 15326 1 463 . 1 1 86 86 GLY CA C 13 43.89 0.029 . 1 . . . . 86 GLY CA . 15326 1 464 . 1 1 86 86 GLY N N 15 109.02 0.008 . 1 . . . . 86 GLY N . 15326 1 465 . 1 1 87 87 SER H H 1 8.46 0.005 . 1 . . . . 87 SER HN . 15326 1 466 . 1 1 87 87 SER C C 13 174.83 0.000 . 1 . . . . 87 SER CO . 15326 1 467 . 1 1 87 87 SER CA C 13 58.95 0.029 . 1 . . . . 87 SER CA . 15326 1 468 . 1 1 87 87 SER CB C 13 63.79 0.030 . 1 . . . . 87 SER CB . 15326 1 469 . 1 1 87 87 SER N N 15 115.64 0.012 . 1 . . . . 87 SER N . 15326 1 470 . 1 1 88 88 GLU H H 1 8.98 0.003 . 1 . . . . 88 GLU HN . 15326 1 471 . 1 1 88 88 GLU C C 13 175.44 0.000 . 1 . . . . 88 GLU CO . 15326 1 472 . 1 1 88 88 GLU CA C 13 57.88 0.039 . 1 . . . . 88 GLU CA . 15326 1 473 . 1 1 88 88 GLU CB C 13 27.37 0.042 . 1 . . . . 88 GLU CB . 15326 1 474 . 1 1 88 88 GLU CG C 13 36.58 0.018 . 1 . . . . 88 GLU CG . 15326 1 475 . 1 1 88 88 GLU N N 15 117.41 0.013 . 1 . . . . 88 GLU N . 15326 1 476 . 1 1 89 89 ASP H H 1 8.45 0.003 . 1 . . . . 89 ASP HN . 15326 1 477 . 1 1 89 89 ASP C C 13 175.71 0.000 . 1 . . . . 89 ASP CO . 15326 1 478 . 1 1 89 89 ASP CA C 13 54.88 0.009 . 1 . . . . 89 ASP CA . 15326 1 479 . 1 1 89 89 ASP CB C 13 39.78 0.014 . 1 . . . . 89 ASP CB . 15326 1 480 . 1 1 89 89 ASP N N 15 115.17 0.026 . 1 . . . . 89 ASP N . 15326 1 481 . 1 1 90 90 LYS H H 1 7.62 0.003 . 1 . . . . 90 LYS HN . 15326 1 482 . 1 1 90 90 LYS C C 13 176.77 0.000 . 1 . . . . 90 LYS CO . 15326 1 483 . 1 1 90 90 LYS CA C 13 56.87 0.025 . 1 . . . . 90 LYS CA . 15326 1 484 . 1 1 90 90 LYS CB C 13 33.74 0.035 . 1 . . . . 90 LYS CB . 15326 1 485 . 1 1 90 90 LYS CD C 13 27.16 0.000 . 1 . . . . 90 LYS CD . 15326 1 486 . 1 1 90 90 LYS CE C 13 42.23 0.013 . 1 . . . . 90 LYS CE . 15326 1 487 . 1 1 90 90 LYS CG C 13 25.23 0.021 . 1 . . . . 90 LYS CG . 15326 1 488 . 1 1 90 90 LYS N N 15 118.89 0.007 . 1 . . . . 90 LYS N . 15326 1 489 . 1 1 91 91 VAL H H 1 8.82 0.003 . 1 . . . . 91 VAL HN . 15326 1 490 . 1 1 91 91 VAL C C 13 176.19 0.000 . 1 . . . . 91 VAL CO . 15326 1 491 . 1 1 91 91 VAL CA C 13 62.87 0.026 . 1 . . . . 91 VAL CA . 15326 1 492 . 1 1 91 91 VAL CB C 13 32.60 0.034 . 1 . . . . 91 VAL CB . 15326 1 493 . 1 1 91 91 VAL CG1 C 13 22.02 0.015 . 1 . . . . 91 VAL CG1 . 15326 1 494 . 1 1 91 91 VAL N N 15 124.46 0.014 . 1 . . . . 91 VAL N . 15326 1 495 . 1 1 92 92 LEU H H 1 8.94 0.002 . 1 . . . . 92 LEU HN . 15326 1 496 . 1 1 92 92 LEU C C 13 177.20 0.000 . 1 . . . . 92 LEU CO . 15326 1 497 . 1 1 92 92 LEU CA C 13 55.59 0.017 . 1 . . . . 92 LEU CA . 15326 1 498 . 1 1 92 92 LEU CB C 13 42.63 0.024 . 1 . . . . 92 LEU CB . 15326 1 499 . 1 1 92 92 LEU CD1 C 13 22.54 0.021 . 1 . . . . 92 LEU CD1 . 15326 1 500 . 1 1 92 92 LEU CD2 C 13 27.15 0.025 . 1 . . . . 92 LEU CD2 . 15326 1 501 . 1 1 92 92 LEU CG C 13 25.87 0.014 . 1 . . . . 92 LEU CG . 15326 1 502 . 1 1 92 92 LEU N N 15 127.01 0.006 . 1 . . . . 92 LEU N . 15326 1 503 . 1 1 93 93 GLY H H 1 7.57 0.003 . 1 . . . . 93 GLY HN . 15326 1 504 . 1 1 93 93 GLY C C 13 170.91 0.000 . 1 . . . . 93 GLY CO . 15326 1 505 . 1 1 93 93 GLY CA C 13 45.81 0.021 . 1 . . . . 93 GLY CA . 15326 1 506 . 1 1 93 93 GLY N N 15 103.67 0.015 . 1 . . . . 93 GLY N . 15326 1 507 . 1 1 94 94 ARG H H 1 8.95 0.003 . 1 . . . . 94 ARG HN . 15326 1 508 . 1 1 94 94 ARG C C 13 172.94 0.000 . 1 . . . . 94 ARG CO . 15326 1 509 . 1 1 94 94 ARG CA C 13 55.61 0.030 . 1 . . . . 94 ARG CA . 15326 1 510 . 1 1 94 94 ARG CB C 13 33.36 0.025 . 1 . . . . 94 ARG CB . 15326 1 511 . 1 1 94 94 ARG CD C 13 43.73 0.030 . 1 . . . . 94 ARG CD . 15326 1 512 . 1 1 94 94 ARG CG C 13 26.17 0.017 . 1 . . . . 94 ARG CG . 15326 1 513 . 1 1 94 94 ARG N N 15 118.94 0.010 . 1 . . . . 94 ARG N . 15326 1 514 . 1 1 95 95 LEU H H 1 8.65 0.003 . 1 . . . . 95 LEU HN . 15326 1 515 . 1 1 95 95 LEU C C 13 175.20 0.000 . 1 . . . . 95 LEU CO . 15326 1 516 . 1 1 95 95 LEU CA C 13 54.87 0.020 . 1 . . . . 95 LEU CA . 15326 1 517 . 1 1 95 95 LEU CB C 13 45.13 0.034 . 1 . . . . 95 LEU CB . 15326 1 518 . 1 1 95 95 LEU CG C 13 24.89 0.020 . 1 . . . . 95 LEU CG . 15326 1 519 . 1 1 95 95 LEU N N 15 124.71 0.007 . 1 . . . . 95 LEU N . 15326 1 520 . 1 1 96 96 VAL H H 1 9.07 0.003 . 1 . . . . 96 VAL HN . 15326 1 521 . 1 1 96 96 VAL C C 13 173.70 0.000 . 1 . . . . 96 VAL CO . 15326 1 522 . 1 1 96 96 VAL CA C 13 62.09 0.030 . 1 . . . . 96 VAL CA . 15326 1 523 . 1 1 96 96 VAL CB C 13 34.80 0.043 . 1 . . . . 96 VAL CB . 15326 1 524 . 1 1 96 96 VAL CG1 C 13 21.39 0.002 . 1 . . . . 96 VAL CG1 . 15326 1 525 . 1 1 96 96 VAL N N 15 125.68 0.019 . 1 . . . . 96 VAL N . 15326 1 526 . 1 1 97 97 HIS H H 1 9.14 0.005 . 1 . . . . 97 HIS HN . 15326 1 527 . 1 1 97 97 HIS C C 13 173.47 0.000 . 1 . . . . 97 HIS CO . 15326 1 528 . 1 1 97 97 HIS CA C 13 55.11 0.049 . 1 . . . . 97 HIS CA . 15326 1 529 . 1 1 97 97 HIS CB C 13 32.43 0.042 . 1 . . . . 97 HIS CB . 15326 1 530 . 1 1 97 97 HIS N N 15 128.42 0.081 . 1 . . . . 97 HIS N . 15326 1 531 . 1 1 98 98 CYS H H 1 8.99 0.008 . 1 . . . . 98 CYS HN . 15326 1 532 . 1 1 98 98 CYS N N 15 124.32 0.011 . 1 . . . . 98 CYS N . 15326 1 533 . 1 1 99 99 PRO C C 13 179.29 0.000 . 1 . . . . 99 PRO CO . 15326 1 534 . 1 1 99 99 PRO CA C 13 62.56 0.038 . 1 . . . . 99 PRO CA . 15326 1 535 . 1 1 100 100 ILE H H 1 8.15 0.006 . 1 . . . . 100 ILE HN . 15326 1 536 . 1 1 100 100 ILE C C 13 177.51 0.000 . 1 . . . . 100 ILE CO . 15326 1 537 . 1 1 100 100 ILE CA C 13 61.79 0.053 . 1 . . . . 100 ILE CA . 15326 1 538 . 1 1 100 100 ILE CB C 13 38.21 0.060 . 1 . . . . 100 ILE CB . 15326 1 539 . 1 1 100 100 ILE CD1 C 13 12.49 0.000 . 1 . . . . 100 ILE CD1 . 15326 1 540 . 1 1 100 100 ILE CG1 C 13 28.01 0.008 . 1 . . . . 100 ILE CG1 . 15326 1 541 . 1 1 100 100 ILE CG2 C 13 17.60 0.013 . 1 . . . . 100 ILE CG2 . 15326 1 542 . 1 1 100 100 ILE N N 15 119.02 0.074 . 1 . . . . 100 ILE N . 15326 1 543 . 1 1 101 101 GLU H H 1 8.52 0.003 . 1 . . . . 101 GLU HN . 15326 1 544 . 1 1 101 101 GLU C C 13 176.34 0.000 . 1 . . . . 101 GLU CO . 15326 1 545 . 1 1 101 101 GLU CA C 13 58.40 0.036 . 1 . . . . 101 GLU CA . 15326 1 546 . 1 1 101 101 GLU CB C 13 30.21 0.028 . 1 . . . . 101 GLU CB . 15326 1 547 . 1 1 101 101 GLU CG C 13 36.49 0.008 . 1 . . . . 101 GLU CG . 15326 1 548 . 1 1 101 101 GLU N N 15 125.26 0.063 . 1 . . . . 101 GLU N . 15326 1 549 . 1 1 102 102 THR H H 1 7.77 0.002 . 1 . . . . 102 THR HN . 15326 1 550 . 1 1 102 102 THR C C 13 174.48 0.000 . 1 . . . . 102 THR CO . 15326 1 551 . 1 1 102 102 THR CA C 13 61.59 0.012 . 1 . . . . 102 THR CA . 15326 1 552 . 1 1 102 102 THR CB C 13 69.43 0.017 . 1 . . . . 102 THR CB . 15326 1 553 . 1 1 102 102 THR CG2 C 13 21.80 0.016 . 1 . . . . 102 THR CG2 . 15326 1 554 . 1 1 102 102 THR N N 15 112.04 0.022 . 1 . . . . 102 THR N . 15326 1 555 . 1 1 103 103 GLN H H 1 8.17 0.003 . 1 . . . . 103 GLN HN . 15326 1 556 . 1 1 103 103 GLN C C 13 175.67 0.000 . 1 . . . . 103 GLN CO . 15326 1 557 . 1 1 103 103 GLN CA C 13 56.07 0.038 . 1 . . . . 103 GLN CA . 15326 1 558 . 1 1 103 103 GLN CB C 13 29.24 0.021 . 1 . . . . 103 GLN CB . 15326 1 559 . 1 1 103 103 GLN CG C 13 33.92 0.057 . 1 . . . . 103 GLN CG . 15326 1 560 . 1 1 103 103 GLN N N 15 120.83 0.012 . 1 . . . . 103 GLN N . 15326 1 561 . 1 1 104 104 VAL H H 1 7.94 0.005 . 1 . . . . 104 VAL HN . 15326 1 562 . 1 1 104 104 VAL C C 13 175.93 0.000 . 1 . . . . 104 VAL CO . 15326 1 563 . 1 1 104 104 VAL CA C 13 62.59 0.023 . 1 . . . . 104 VAL CA . 15326 1 564 . 1 1 104 104 VAL CB C 13 32.54 0.044 . 1 . . . . 104 VAL CB . 15326 1 565 . 1 1 104 104 VAL CG1 C 13 21.06 0.026 . 1 . . . . 104 VAL CG1 . 15326 1 566 . 1 1 104 104 VAL N N 15 120.68 0.014 . 1 . . . . 104 VAL N . 15326 1 567 . 1 1 105 105 LEU H H 1 8.37 0.002 . 1 . . . . 105 LEU HN . 15326 1 568 . 1 1 105 105 LEU C C 13 177.38 0.000 . 1 . . . . 105 LEU CO . 15326 1 569 . 1 1 105 105 LEU CA C 13 54.95 0.035 . 1 . . . . 105 LEU CA . 15326 1 570 . 1 1 105 105 LEU CB C 13 42.60 0.030 . 1 . . . . 105 LEU CB . 15326 1 571 . 1 1 105 105 LEU CD1 C 13 23.62 0.015 . 1 . . . . 105 LEU CD1 . 15326 1 572 . 1 1 105 105 LEU CD2 C 13 24.92 0.017 . 1 . . . . 105 LEU CD2 . 15326 1 573 . 1 1 105 105 LEU CG C 13 26.99 0.000 . 1 . . . . 105 LEU CG . 15326 1 574 . 1 1 105 105 LEU N N 15 126.31 0.024 . 1 . . . . 105 LEU N . 15326 1 575 . 1 1 106 106 ARG H H 1 8.53 0.002 . 1 . . . . 106 ARG HN . 15326 1 576 . 1 1 106 106 ARG C C 13 177.12 0.000 . 1 . . . . 106 ARG CO . 15326 1 577 . 1 1 106 106 ARG CA C 13 57.38 0.035 . 1 . . . . 106 ARG CA . 15326 1 578 . 1 1 106 106 ARG CB C 13 30.45 0.029 . 1 . . . . 106 ARG CB . 15326 1 579 . 1 1 106 106 ARG CD C 13 43.26 0.015 . 1 . . . . 106 ARG CD . 15326 1 580 . 1 1 106 106 ARG CG C 13 26.99 0.027 . 1 . . . . 106 ARG CG . 15326 1 581 . 1 1 106 106 ARG N N 15 122.60 0.019 . 1 . . . . 106 ARG N . 15326 1 582 . 1 1 107 107 GLU H H 1 8.66 0.003 . 1 . . . . 107 GLU HN . 15326 1 583 . 1 1 107 107 GLU C C 13 177.13 0.000 . 1 . . . . 107 GLU CO . 15326 1 584 . 1 1 107 107 GLU CA C 13 57.93 0.029 . 1 . . . . 107 GLU CA . 15326 1 585 . 1 1 107 107 GLU CB C 13 29.71 0.024 . 1 . . . . 107 GLU CB . 15326 1 586 . 1 1 107 107 GLU CG C 13 36.26 0.016 . 1 . . . . 107 GLU CG . 15326 1 587 . 1 1 107 107 GLU N N 15 119.74 0.014 . 1 . . . . 107 GLU N . 15326 1 588 . 1 1 108 108 ALA H H 1 7.94 0.003 . 1 . . . . 108 ALA HN . 15326 1 589 . 1 1 108 108 ALA C C 13 178.85 0.000 . 1 . . . . 108 ALA CO . 15326 1 590 . 1 1 108 108 ALA CA C 13 53.52 0.024 . 1 . . . . 108 ALA CA . 15326 1 591 . 1 1 108 108 ALA CB C 13 19.00 0.045 . 1 . . . . 108 ALA CB . 15326 1 592 . 1 1 108 108 ALA N N 15 122.34 0.020 . 1 . . . . 108 ALA N . 15326 1 593 . 1 1 109 109 GLU H H 1 8.17 0.003 . 1 . . . . 109 GLU HN . 15326 1 594 . 1 1 109 109 GLU C C 13 177.76 0.000 . 1 . . . . 109 GLU CO . 15326 1 595 . 1 1 109 109 GLU CA C 13 57.88 0.042 . 1 . . . . 109 GLU CA . 15326 1 596 . 1 1 109 109 GLU CB C 13 29.94 0.005 . 1 . . . . 109 GLU CB . 15326 1 597 . 1 1 109 109 GLU CG C 13 36.28 0.013 . 1 . . . . 109 GLU CG . 15326 1 598 . 1 1 109 109 GLU N N 15 119.14 0.012 . 1 . . . . 109 GLU N . 15326 1 599 . 1 1 110 110 GLU H H 1 8.37 0.003 . 1 . . . . 110 GLU HN . 15326 1 600 . 1 1 110 110 GLU C C 13 178.04 0.000 . 1 . . . . 110 GLU CO . 15326 1 601 . 1 1 110 110 GLU CA C 13 58.33 0.040 . 1 . . . . 110 GLU CA . 15326 1 602 . 1 1 110 110 GLU CB C 13 29.67 0.040 . 1 . . . . 110 GLU CB . 15326 1 603 . 1 1 110 110 GLU CG C 13 36.04 0.020 . 1 . . . . 110 GLU CG . 15326 1 604 . 1 1 110 110 GLU N N 15 120.02 0.038 . 1 . . . . 110 GLU N . 15326 1 605 . 1 1 111 111 HIS H H 1 8.28 0.005 . 1 . . . . 111 HIS HN . 15326 1 606 . 1 1 111 111 HIS C C 13 176.62 0.000 . 1 . . . . 111 HIS CO . 15326 1 607 . 1 1 111 111 HIS CA C 13 57.40 0.051 . 1 . . . . 111 HIS CA . 15326 1 608 . 1 1 111 111 HIS CB C 13 28.69 0.082 . 1 . . . . 111 HIS CB . 15326 1 609 . 1 1 111 111 HIS N N 15 117.41 0.039 . 1 . . . . 111 HIS N . 15326 1 610 . 1 1 112 112 GLN H H 1 8.19 0.004 . 1 . . . . 112 GLN HN . 15326 1 611 . 1 1 112 112 GLN C C 13 177.58 0.000 . 1 . . . . 112 GLN CO . 15326 1 612 . 1 1 112 112 GLN CA C 13 57.90 0.022 . 1 . . . . 112 GLN CA . 15326 1 613 . 1 1 112 112 GLN CB C 13 27.92 0.039 . 1 . . . . 112 GLN CB . 15326 1 614 . 1 1 112 112 GLN CG C 13 33.24 0.018 . 1 . . . . 112 GLN CG . 15326 1 615 . 1 1 112 112 GLN N N 15 118.22 0.011 . 1 . . . . 112 GLN N . 15326 1 616 . 1 1 113 113 GLU H H 1 8.39 0.005 . 1 . . . . 113 GLU HN . 15326 1 617 . 1 1 113 113 GLU C C 13 179.46 0.000 . 1 . . . . 113 GLU CO . 15326 1 618 . 1 1 113 113 GLU CA C 13 59.25 0.030 . 1 . . . . 113 GLU CA . 15326 1 619 . 1 1 113 113 GLU CB C 13 28.71 0.022 . 1 . . . . 113 GLU CB . 15326 1 620 . 1 1 113 113 GLU CG C 13 35.47 0.014 . 1 . . . . 113 GLU CG . 15326 1 621 . 1 1 113 113 GLU N N 15 119.79 0.013 . 1 . . . . 113 GLU N . 15326 1 622 . 1 1 114 114 THR H H 1 8.10 0.003 . 1 . . . . 114 THR HN . 15326 1 623 . 1 1 114 114 THR C C 13 177.06 0.000 . 1 . . . . 114 THR CO . 15326 1 624 . 1 1 114 114 THR CA C 13 66.20 0.042 . 1 . . . . 114 THR CA . 15326 1 625 . 1 1 114 114 THR CB C 13 68.51 0.037 . 1 . . . . 114 THR CB . 15326 1 626 . 1 1 114 114 THR CG2 C 13 22.00 0.021 . 1 . . . . 114 THR CG2 . 15326 1 627 . 1 1 114 114 THR N N 15 114.95 0.014 . 1 . . . . 114 THR N . 15326 1 628 . 1 1 115 115 GLN H H 1 7.93 0.004 . 1 . . . . 115 GLN HN . 15326 1 629 . 1 1 115 115 GLN C C 13 178.57 0.000 . 1 . . . . 115 GLN CO . 15326 1 630 . 1 1 115 115 GLN CA C 13 58.90 0.035 . 1 . . . . 115 GLN CA . 15326 1 631 . 1 1 115 115 GLN CB C 13 28.53 0.029 . 1 . . . . 115 GLN CB . 15326 1 632 . 1 1 115 115 GLN CG C 13 33.91 0.031 . 1 . . . . 115 GLN CG . 15326 1 633 . 1 1 115 115 GLN N N 15 120.32 0.011 . 1 . . . . 115 GLN N . 15326 1 634 . 1 1 116 116 CYS H H 1 8.48 0.003 . 1 . . . . 116 CYS HN . 15326 1 635 . 1 1 116 116 CYS C C 13 176.03 0.000 . 1 . . . . 116 CYS CO . 15326 1 636 . 1 1 116 116 CYS N N 15 118.96 0.037 . 1 . . . . 116 CYS N . 15326 1 637 . 1 1 117 117 LEU H H 1 7.87 0.002 . 1 . . . . 117 LEU HN . 15326 1 638 . 1 1 117 117 LEU C C 13 179.23 0.000 . 1 . . . . 117 LEU CO . 15326 1 639 . 1 1 117 117 LEU CA C 13 57.69 0.027 . 1 . . . . 117 LEU CA . 15326 1 640 . 1 1 117 117 LEU CB C 13 41.31 0.037 . 1 . . . . 117 LEU CB . 15326 1 641 . 1 1 117 117 LEU CD1 C 13 23.32 0.023 . 1 . . . . 117 LEU CD1 . 15326 1 642 . 1 1 117 117 LEU CD2 C 13 24.60 0.029 . 1 . . . . 117 LEU CD2 . 15326 1 643 . 1 1 117 117 LEU CG C 13 26.78 0.000 . 1 . . . . 117 LEU CG . 15326 1 644 . 1 1 117 117 LEU N N 15 118.88 0.008 . 1 . . . . 117 LEU N . 15326 1 645 . 1 1 118 118 ARG H H 1 7.52 0.006 . 1 . . . . 118 ARG HN . 15326 1 646 . 1 1 118 118 ARG C C 13 179.49 0.000 . 1 . . . . 118 ARG CO . 15326 1 647 . 1 1 118 118 ARG CA C 13 59.45 0.042 . 1 . . . . 118 ARG CA . 15326 1 648 . 1 1 118 118 ARG CB C 13 29.44 0.035 . 1 . . . . 118 ARG CB . 15326 1 649 . 1 1 118 118 ARG CD C 13 43.44 0.002 . 1 . . . . 118 ARG CD . 15326 1 650 . 1 1 118 118 ARG CG C 13 27.67 0.020 . 1 . . . . 118 ARG CG . 15326 1 651 . 1 1 118 118 ARG N N 15 118.03 0.008 . 1 . . . . 118 ARG N . 15326 1 652 . 1 1 119 119 VAL H H 1 7.53 0.004 . 1 . . . . 119 VAL HN . 15326 1 653 . 1 1 119 119 VAL C C 13 177.58 0.000 . 1 . . . . 119 VAL CO . 15326 1 654 . 1 1 119 119 VAL CA C 13 66.28 0.031 . 1 . . . . 119 VAL CA . 15326 1 655 . 1 1 119 119 VAL CB C 13 31.43 0.039 . 1 . . . . 119 VAL CB . 15326 1 656 . 1 1 119 119 VAL CG1 C 13 22.92 0.029 . 1 . . . . 119 VAL CG1 . 15326 1 657 . 1 1 119 119 VAL N N 15 119.49 0.024 . 1 . . . . 119 VAL N . 15326 1 658 . 1 1 120 120 GLN H H 1 7.50 0.007 . 1 . . . . 120 GLN HN . 15326 1 659 . 1 1 120 120 GLN C C 13 176.89 0.000 . 1 . . . . 120 GLN CO . 15326 1 660 . 1 1 120 120 GLN CA C 13 59.99 0.020 . 1 . . . . 120 GLN CA . 15326 1 661 . 1 1 120 120 GLN CB C 13 28.35 0.044 . 1 . . . . 120 GLN CB . 15326 1 662 . 1 1 120 120 GLN CG C 13 33.37 0.019 . 1 . . . . 120 GLN CG . 15326 1 663 . 1 1 120 120 GLN N N 15 117.31 0.024 . 1 . . . . 120 GLN N . 15326 1 664 . 1 1 121 121 ARG H H 1 6.96 0.006 . 1 . . . . 121 ARG HN . 15326 1 665 . 1 1 121 121 ARG C C 13 176.09 0.000 . 1 . . . . 121 ARG CO . 15326 1 666 . 1 1 121 121 ARG CA C 13 55.51 0.036 . 1 . . . . 121 ARG CA . 15326 1 667 . 1 1 121 121 ARG CB C 13 29.98 0.025 . 1 . . . . 121 ARG CB . 15326 1 668 . 1 1 121 121 ARG CD C 13 43.03 0.016 . 1 . . . . 121 ARG CD . 15326 1 669 . 1 1 121 121 ARG CG C 13 27.04 0.028 . 1 . . . . 121 ARG CG . 15326 1 670 . 1 1 121 121 ARG N N 15 113.03 0.008 . 1 . . . . 121 ARG N . 15326 1 671 . 1 1 122 122 ALA H H 1 7.51 0.003 . 1 . . . . 122 ALA HN . 15326 1 672 . 1 1 122 122 ALA C C 13 178.93 0.000 . 1 . . . . 122 ALA CO . 15326 1 673 . 1 1 122 122 ALA CA C 13 54.05 0.011 . 1 . . . . 122 ALA CA . 15326 1 674 . 1 1 122 122 ALA CB C 13 18.01 0.057 . 1 . . . . 122 ALA CB . 15326 1 675 . 1 1 122 122 ALA N N 15 125.04 0.008 . 1 . . . . 122 ALA N . 15326 1 676 . 1 1 123 123 GLY H H 1 8.99 0.004 . 1 . . . . 123 GLY HN . 15326 1 677 . 1 1 123 123 GLY C C 13 173.70 0.000 . 1 . . . . 123 GLY CO . 15326 1 678 . 1 1 123 123 GLY CA C 13 45.51 0.026 . 1 . . . . 123 GLY CA . 15326 1 679 . 1 1 123 123 GLY N N 15 110.75 0.010 . 1 . . . . 123 GLY N . 15326 1 680 . 1 1 124 124 GLU H H 1 7.45 0.004 . 1 . . . . 124 GLU HN . 15326 1 681 . 1 1 124 124 GLU C C 13 176.60 0.000 . 1 . . . . 124 GLU CO . 15326 1 682 . 1 1 124 124 GLU CA C 13 54.48 0.042 . 1 . . . . 124 GLU CA . 15326 1 683 . 1 1 124 124 GLU CB C 13 29.45 0.017 . 1 . . . . 124 GLU CB . 15326 1 684 . 1 1 124 124 GLU CG C 13 34.77 0.019 . 1 . . . . 124 GLU CG . 15326 1 685 . 1 1 124 124 GLU N N 15 115.56 0.007 . 1 . . . . 124 GLU N . 15326 1 686 . 1 1 125 125 ASP H H 1 8.98 0.003 . 1 . . . . 125 ASP HN . 15326 1 687 . 1 1 125 125 ASP CA C 13 51.97 0.000 . 1 . . . . 125 ASP CA . 15326 1 688 . 1 1 125 125 ASP CB C 13 41.83 0.000 . 1 . . . . 125 ASP CB . 15326 1 689 . 1 1 125 125 ASP N N 15 123.16 0.007 . 1 . . . . 125 ASP N . 15326 1 690 . 1 1 126 126 PRO C C 13 177.60 0.000 . 1 . . . . 126 PRO CO . 15326 1 691 . 1 1 126 126 PRO CA C 13 64.10 0.021 . 1 . . . . 126 PRO CA . 15326 1 692 . 1 1 126 126 PRO CB C 13 32.06 0.022 . 1 . . . . 126 PRO CB . 15326 1 693 . 1 1 126 126 PRO CD C 13 51.10 0.010 . 1 . . . . 126 PRO CD . 15326 1 694 . 1 1 126 126 PRO CG C 13 27.06 0.041 . 1 . . . . 126 PRO CG . 15326 1 695 . 1 1 127 127 HIS H H 1 8.61 0.007 . 1 . . . . 127 HIS HN . 15326 1 696 . 1 1 127 127 HIS C C 13 175.13 0.000 . 1 . . . . 127 HIS CO . 15326 1 697 . 1 1 127 127 HIS CA C 13 56.35 0.124 . 1 . . . . 127 HIS CA . 15326 1 698 . 1 1 127 127 HIS CB C 13 28.36 0.025 . 1 . . . . 127 HIS CB . 15326 1 699 . 1 1 127 127 HIS N N 15 115.09 0.018 . 1 . . . . 127 HIS N . 15326 1 700 . 1 1 128 128 SER H H 1 7.91 0.003 . 1 . . . . 128 SER HN . 15326 1 701 . 1 1 128 128 SER C C 13 173.98 0.000 . 1 . . . . 128 SER CO . 15326 1 702 . 1 1 128 128 SER CA C 13 58.68 0.047 . 1 . . . . 128 SER CA . 15326 1 703 . 1 1 128 128 SER CB C 13 64.31 0.022 . 1 . . . . 128 SER CB . 15326 1 704 . 1 1 128 128 SER N N 15 113.88 0.008 . 1 . . . . 128 SER N . 15326 1 705 . 1 1 129 129 PHE H H 1 7.92 0.003 . 1 . . . . 129 PHE HN . 15326 1 706 . 1 1 129 129 PHE C C 13 174.69 0.000 . 1 . . . . 129 PHE CO . 15326 1 707 . 1 1 129 129 PHE CA C 13 57.85 0.016 . 1 . . . . 129 PHE CA . 15326 1 708 . 1 1 129 129 PHE CB C 13 39.52 0.014 . 1 . . . . 129 PHE CB . 15326 1 709 . 1 1 129 129 PHE N N 15 121.31 0.011 . 1 . . . . 129 PHE N . 15326 1 710 . 1 1 130 130 TYR H H 1 7.73 0.002 . 1 . . . . 130 TYR HN . 15326 1 711 . 1 1 130 130 TYR C C 13 174.79 0.000 . 1 . . . . 130 TYR CO . 15326 1 712 . 1 1 130 130 TYR CA C 13 57.86 0.160 . 1 . . . . 130 TYR CA . 15326 1 713 . 1 1 130 130 TYR CB C 13 39.26 0.012 . 1 . . . . 130 TYR CB . 15326 1 714 . 1 1 130 130 TYR N N 15 120.82 0.010 . 1 . . . . 130 TYR N . 15326 1 715 . 1 1 131 131 PHE H H 1 7.71 0.001 . 1 . . . . 131 PHE HN . 15326 1 716 . 1 1 131 131 PHE CA C 13 57.33 0.000 . 1 . . . . 131 PHE CA . 15326 1 717 . 1 1 131 131 PHE CB C 13 39.11 0.000 . 1 . . . . 131 PHE CB . 15326 1 718 . 1 1 131 131 PHE N N 15 119.59 0.032 . 1 . . . . 131 PHE N . 15326 1 719 . 1 1 132 132 PRO C C 13 177.44 0.000 . 1 . . . . 132 PRO CO . 15326 1 720 . 1 1 132 132 PRO CA C 13 63.64 0.026 . 1 . . . . 132 PRO CA . 15326 1 721 . 1 1 132 132 PRO CB C 13 31.77 0.017 . 1 . . . . 132 PRO CB . 15326 1 722 . 1 1 132 132 PRO CD C 13 50.54 0.018 . 1 . . . . 132 PRO CD . 15326 1 723 . 1 1 132 132 PRO CG C 13 27.31 0.028 . 1 . . . . 132 PRO CG . 15326 1 724 . 1 1 133 133 GLY H H 1 8.12 0.003 . 1 . . . . 133 GLY HN . 15326 1 725 . 1 1 133 133 GLY C C 13 174.27 0.000 . 1 . . . . 133 GLY CO . 15326 1 726 . 1 1 133 133 GLY CA C 13 45.46 0.032 . 1 . . . . 133 GLY CA . 15326 1 727 . 1 1 133 133 GLY N N 15 108.27 0.008 . 1 . . . . 133 GLY N . 15326 1 728 . 1 1 134 134 GLN H H 1 7.95 0.003 . 1 . . . . 134 GLN HN . 15326 1 729 . 1 1 134 134 GLN C C 13 175.61 0.000 . 1 . . . . 134 GLN CO . 15326 1 730 . 1 1 134 134 GLN CA C 13 56.33 0.035 . 1 . . . . 134 GLN CA . 15326 1 731 . 1 1 134 134 GLN CB C 13 29.41 0.090 . 1 . . . . 134 GLN CB . 15326 1 732 . 1 1 134 134 GLN CG C 13 33.55 0.014 . 1 . . . . 134 GLN CG . 15326 1 733 . 1 1 134 134 GLN N N 15 118.93 0.003 . 1 . . . . 134 GLN N . 15326 1 734 . 1 1 135 135 PHE H H 1 8.17 0.003 . 1 . . . . 135 PHE HN . 15326 1 735 . 1 1 135 135 PHE C C 13 174.86 0.000 . 1 . . . . 135 PHE CO . 15326 1 736 . 1 1 135 135 PHE CA C 13 57.19 0.025 . 1 . . . . 135 PHE CA . 15326 1 737 . 1 1 135 135 PHE CB C 13 39.53 0.014 . 1 . . . . 135 PHE CB . 15326 1 738 . 1 1 135 135 PHE N N 15 119.45 0.017 . 1 . . . . 135 PHE N . 15326 1 739 . 1 1 136 136 ALA H H 1 8.00 0.003 . 1 . . . . 136 ALA HN . 15326 1 740 . 1 1 136 136 ALA CA C 13 50.33 0.000 . 1 . . . . 136 ALA CA . 15326 1 741 . 1 1 136 136 ALA CB C 13 18.54 0.000 . 1 . . . . 136 ALA CB . 15326 1 742 . 1 1 136 136 ALA N N 15 125.92 0.017 . 1 . . . . 136 ALA N . 15326 1 stop_ save_