data_18178 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18178 _Entry.Title ; Solution structure of AGR2 residues 41-175 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-04 _Entry.Accession_date 2012-01-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Pryank Patel . . . 18178 2 Christopher Clarke . J. . 18178 3 Dong Barraclough . L. . 18178 4 Philip Rudland . S. . 18178 5 Roger Barraclough . . . 18178 6 Lu-Yun Lian . . . 18178 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' . 18178 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID adhesion . 18178 AGR2 . 18178 'Anterior-gradient Protein 2' . 18178 cancer . 18178 metastasis . 18178 Thioredoxin-fold . 18178 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18178 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 480 18178 '15N chemical shifts' 135 18178 '1H chemical shifts' 313 18178 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-03-12 2012-01-04 update BMRB 'update entry citation' 18178 1 . . 2013-01-07 2012-01-04 original author 'original release' 18178 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18179 'E60A mutant AGR2' 18178 PDB 2LNS 'BMRB Entry Tracking System' 18178 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18178 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23274113 _Citation.Full_citation . _Citation.Title 'Metastasis-promoting anterior gradient 2 protein has a dimeric thioredoxin fold structure and a role in cell adhesion.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 425 _Citation.Journal_issue 5 _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 929 _Citation.Page_last 943 _Citation.Year 2013 _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 Pryank Patel . . . 18178 1 2 Christopher Clarke . . . 18178 1 3 'Dong Liu' Barraclough . . . 18178 1 4 'Thomas Adam' Jowitt . . . 18178 1 5 'Philip Spencer' Rudland . . . 18178 1 6 Roger Barraclough . . . 18178 1 7 Lu-Yun Lian . . . 18178 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18178 _Assembly.ID 1 _Assembly.Name 'AGR2 residues 41-175' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 entity_1 1 $AGR2 A . yes native no no . . . 18178 1 2 entity_2 1 $AGR2 B . yes native no no . . . 18178 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AGR2 _Entity.Sf_category entity _Entity.Sf_framecode AGR2 _Entity.Entry_ID 18178 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AGR2 _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 ; IDPFTPQTLSRGWGDQLIWT QTYEEALYKSKTSNKPLMII HHLDECPHSQALKKVFAENK EIQKLAEQFVLLNLVYETTD KHLSPDGQYVPRIMFVDPSL TVRADITGRYSNRLYAYEPA DTALLLDNMKKALKLLKTEL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 represents a non-native affinity 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 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15615.084 _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 18179 . AGR2_E60A . . . . . 100.00 140 99.29 99.29 2.99e-97 . . . . 18178 1 2 no PDB 2LNS . "Solution Structure Of Agr2 Residues 41-175" . . . . . 100.00 140 100.00 100.00 5.44e-98 . . . . 18178 1 3 no PDB 2LNT . "Solution Structure Of E60a Mutant Agr2" . . . . . 100.00 140 99.29 99.29 2.99e-97 . . . . 18178 1 4 no DBJ BAD96787 . "anterior gradient 2 homolog [Homo sapiens]" . . . . . 98.57 175 97.83 97.83 5.21e-93 . . . . 18178 1 5 no DBJ BAG35784 . "unnamed protein product [Homo sapiens]" . . . . . 98.57 175 97.83 98.55 8.14e-94 . . . . 18178 1 6 no EMBL CAH92219 . "hypothetical protein [Pongo abelii]" . . . . . 98.57 175 97.83 97.83 7.54e-94 . . . . 18178 1 7 no GB AAC77358 . "secreted cement gland protein XAG-2 homolog [Homo sapiens]" . . . . . 98.57 175 98.55 98.55 3.75e-94 . . . . 18178 1 8 no GB AAC82614 . "secreted cement gland protein XAG-2 homolog [Homo sapiens]" . . . . . 98.57 175 98.55 98.55 3.75e-94 . . . . 18178 1 9 no GB AAF22484 . "putative secreted protein XAG [Homo sapiens]" . . . . . 98.57 175 98.55 98.55 3.75e-94 . . . . 18178 1 10 no GB AAH15503 . "Anterior gradient homolog 2 (Xenopus laevis) [Homo sapiens]" . . . . . 98.57 175 98.55 98.55 3.75e-94 . . . . 18178 1 11 no GB AAL54870 . "XAG-2 homolog long protein [Homo sapiens]" . . . . . 98.57 175 98.55 98.55 3.75e-94 . . . . 18178 1 12 no REF NP_001127525 . "anterior gradient protein 2 homolog precursor [Pongo abelii]" . . . . . 98.57 175 97.83 97.83 7.54e-94 . . . . 18178 1 13 no REF NP_001181233 . "anterior gradient protein 2 homolog precursor [Macaca mulatta]" . . . . . 98.57 175 97.83 98.55 8.50e-94 . . . . 18178 1 14 no REF NP_006399 . "anterior gradient protein 2 homolog precursor [Homo sapiens]" . . . . . 98.57 175 98.55 98.55 3.75e-94 . . . . 18178 1 15 no REF XP_002751578 . "PREDICTED: anterior gradient protein 2 homolog [Callithrix jacchus]" . . . . . 98.57 175 97.83 98.55 5.38e-94 . . . . 18178 1 16 no REF XP_002751579 . "PREDICTED: anterior gradient protein 2 homolog [Callithrix jacchus]" . . . . . 98.57 175 97.83 98.55 5.38e-94 . . . . 18178 1 17 no SP O95994 . "RecName: Full=Anterior gradient protein 2 homolog; Short=AG-2; Short=hAG-2; AltName: Full=HPC8; AltName: Full=Secreted cement g" . . . . . 98.57 175 98.55 98.55 3.75e-94 . . . . 18178 1 18 no SP Q5R7P1 . "RecName: Full=Anterior gradient protein 2 homolog; Flags: Precursor" . . . . . 98.57 175 97.83 97.83 7.54e-94 . . . . 18178 1 19 no TPG DAA30743 . "TPA: anterior gradient 2 homolog [Bos taurus]" . . . . . 96.43 175 97.04 99.26 6.13e-92 . . . . 18178 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 . ILE . 18178 1 2 . ASP . 18178 1 3 . PRO . 18178 1 4 . PHE . 18178 1 5 . THR . 18178 1 6 41 PRO . 18178 1 7 42 GLN . 18178 1 8 43 THR . 18178 1 9 44 LEU . 18178 1 10 45 SER . 18178 1 11 46 ARG . 18178 1 12 47 GLY . 18178 1 13 48 TRP . 18178 1 14 49 GLY . 18178 1 15 50 ASP . 18178 1 16 51 GLN . 18178 1 17 52 LEU . 18178 1 18 53 ILE . 18178 1 19 54 TRP . 18178 1 20 55 THR . 18178 1 21 56 GLN . 18178 1 22 57 THR . 18178 1 23 58 TYR . 18178 1 24 59 GLU . 18178 1 25 60 GLU . 18178 1 26 61 ALA . 18178 1 27 62 LEU . 18178 1 28 63 TYR . 18178 1 29 64 LYS . 18178 1 30 65 SER . 18178 1 31 66 LYS . 18178 1 32 67 THR . 18178 1 33 68 SER . 18178 1 34 69 ASN . 18178 1 35 70 LYS . 18178 1 36 71 PRO . 18178 1 37 72 LEU . 18178 1 38 73 MET . 18178 1 39 74 ILE . 18178 1 40 75 ILE . 18178 1 41 76 HIS . 18178 1 42 77 HIS . 18178 1 43 78 LEU . 18178 1 44 79 ASP . 18178 1 45 80 GLU . 18178 1 46 81 CYS . 18178 1 47 82 PRO . 18178 1 48 83 HIS . 18178 1 49 84 SER . 18178 1 50 85 GLN . 18178 1 51 86 ALA . 18178 1 52 87 LEU . 18178 1 53 88 LYS . 18178 1 54 89 LYS . 18178 1 55 90 VAL . 18178 1 56 91 PHE . 18178 1 57 92 ALA . 18178 1 58 93 GLU . 18178 1 59 94 ASN . 18178 1 60 95 LYS . 18178 1 61 96 GLU . 18178 1 62 97 ILE . 18178 1 63 98 GLN . 18178 1 64 99 LYS . 18178 1 65 100 LEU . 18178 1 66 101 ALA . 18178 1 67 102 GLU . 18178 1 68 103 GLN . 18178 1 69 104 PHE . 18178 1 70 105 VAL . 18178 1 71 106 LEU . 18178 1 72 107 LEU . 18178 1 73 108 ASN . 18178 1 74 109 LEU . 18178 1 75 110 VAL . 18178 1 76 111 TYR . 18178 1 77 112 GLU . 18178 1 78 113 THR . 18178 1 79 114 THR . 18178 1 80 115 ASP . 18178 1 81 116 LYS . 18178 1 82 117 HIS . 18178 1 83 118 LEU . 18178 1 84 119 SER . 18178 1 85 120 PRO . 18178 1 86 121 ASP . 18178 1 87 122 GLY . 18178 1 88 123 GLN . 18178 1 89 124 TYR . 18178 1 90 125 VAL . 18178 1 91 126 PRO . 18178 1 92 127 ARG . 18178 1 93 128 ILE . 18178 1 94 129 MET . 18178 1 95 130 PHE . 18178 1 96 131 VAL . 18178 1 97 132 ASP . 18178 1 98 133 PRO . 18178 1 99 134 SER . 18178 1 100 135 LEU . 18178 1 101 136 THR . 18178 1 102 137 VAL . 18178 1 103 138 ARG . 18178 1 104 139 ALA . 18178 1 105 140 ASP . 18178 1 106 141 ILE . 18178 1 107 142 THR . 18178 1 108 143 GLY . 18178 1 109 144 ARG . 18178 1 110 145 TYR . 18178 1 111 146 SER . 18178 1 112 147 ASN . 18178 1 113 148 ARG . 18178 1 114 149 LEU . 18178 1 115 150 TYR . 18178 1 116 151 ALA . 18178 1 117 152 TYR . 18178 1 118 153 GLU . 18178 1 119 154 PRO . 18178 1 120 155 ALA . 18178 1 121 156 ASP . 18178 1 122 157 THR . 18178 1 123 158 ALA . 18178 1 124 159 LEU . 18178 1 125 160 LEU . 18178 1 126 161 LEU . 18178 1 127 162 ASP . 18178 1 128 163 ASN . 18178 1 129 164 MET . 18178 1 130 165 LYS . 18178 1 131 166 LYS . 18178 1 132 167 ALA . 18178 1 133 168 LEU . 18178 1 134 169 LYS . 18178 1 135 170 LEU . 18178 1 136 171 LEU . 18178 1 137 172 LYS . 18178 1 138 173 THR . 18178 1 139 174 GLU . 18178 1 140 175 LEU . 18178 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 . ILE 1 1 18178 1 . ASP 2 2 18178 1 . PRO 3 3 18178 1 . PHE 4 4 18178 1 . THR 5 5 18178 1 . PRO 6 6 18178 1 . GLN 7 7 18178 1 . THR 8 8 18178 1 . LEU 9 9 18178 1 . SER 10 10 18178 1 . ARG 11 11 18178 1 . GLY 12 12 18178 1 . TRP 13 13 18178 1 . GLY 14 14 18178 1 . ASP 15 15 18178 1 . GLN 16 16 18178 1 . LEU 17 17 18178 1 . ILE 18 18 18178 1 . TRP 19 19 18178 1 . THR 20 20 18178 1 . GLN 21 21 18178 1 . THR 22 22 18178 1 . TYR 23 23 18178 1 . GLU 24 24 18178 1 . GLU 25 25 18178 1 . ALA 26 26 18178 1 . LEU 27 27 18178 1 . TYR 28 28 18178 1 . LYS 29 29 18178 1 . SER 30 30 18178 1 . LYS 31 31 18178 1 . THR 32 32 18178 1 . SER 33 33 18178 1 . ASN 34 34 18178 1 . LYS 35 35 18178 1 . PRO 36 36 18178 1 . LEU 37 37 18178 1 . MET 38 38 18178 1 . ILE 39 39 18178 1 . ILE 40 40 18178 1 . HIS 41 41 18178 1 . HIS 42 42 18178 1 . LEU 43 43 18178 1 . ASP 44 44 18178 1 . GLU 45 45 18178 1 . CYS 46 46 18178 1 . PRO 47 47 18178 1 . HIS 48 48 18178 1 . SER 49 49 18178 1 . GLN 50 50 18178 1 . ALA 51 51 18178 1 . LEU 52 52 18178 1 . LYS 53 53 18178 1 . LYS 54 54 18178 1 . VAL 55 55 18178 1 . PHE 56 56 18178 1 . ALA 57 57 18178 1 . GLU 58 58 18178 1 . ASN 59 59 18178 1 . LYS 60 60 18178 1 . GLU 61 61 18178 1 . ILE 62 62 18178 1 . GLN 63 63 18178 1 . LYS 64 64 18178 1 . LEU 65 65 18178 1 . ALA 66 66 18178 1 . GLU 67 67 18178 1 . GLN 68 68 18178 1 . PHE 69 69 18178 1 . VAL 70 70 18178 1 . LEU 71 71 18178 1 . LEU 72 72 18178 1 . ASN 73 73 18178 1 . LEU 74 74 18178 1 . VAL 75 75 18178 1 . TYR 76 76 18178 1 . GLU 77 77 18178 1 . THR 78 78 18178 1 . THR 79 79 18178 1 . ASP 80 80 18178 1 . LYS 81 81 18178 1 . HIS 82 82 18178 1 . LEU 83 83 18178 1 . SER 84 84 18178 1 . PRO 85 85 18178 1 . ASP 86 86 18178 1 . GLY 87 87 18178 1 . GLN 88 88 18178 1 . TYR 89 89 18178 1 . VAL 90 90 18178 1 . PRO 91 91 18178 1 . ARG 92 92 18178 1 . ILE 93 93 18178 1 . MET 94 94 18178 1 . PHE 95 95 18178 1 . VAL 96 96 18178 1 . ASP 97 97 18178 1 . PRO 98 98 18178 1 . SER 99 99 18178 1 . LEU 100 100 18178 1 . THR 101 101 18178 1 . VAL 102 102 18178 1 . ARG 103 103 18178 1 . ALA 104 104 18178 1 . ASP 105 105 18178 1 . ILE 106 106 18178 1 . THR 107 107 18178 1 . GLY 108 108 18178 1 . ARG 109 109 18178 1 . TYR 110 110 18178 1 . SER 111 111 18178 1 . ASN 112 112 18178 1 . ARG 113 113 18178 1 . LEU 114 114 18178 1 . TYR 115 115 18178 1 . ALA 116 116 18178 1 . TYR 117 117 18178 1 . GLU 118 118 18178 1 . PRO 119 119 18178 1 . ALA 120 120 18178 1 . ASP 121 121 18178 1 . THR 122 122 18178 1 . ALA 123 123 18178 1 . LEU 124 124 18178 1 . LEU 125 125 18178 1 . LEU 126 126 18178 1 . ASP 127 127 18178 1 . ASN 128 128 18178 1 . MET 129 129 18178 1 . LYS 130 130 18178 1 . LYS 131 131 18178 1 . ALA 132 132 18178 1 . LEU 133 133 18178 1 . LYS 134 134 18178 1 . LEU 135 135 18178 1 . LEU 136 136 18178 1 . LYS 137 137 18178 1 . THR 138 138 18178 1 . GLU 139 139 18178 1 . LEU 140 140 18178 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 18178 _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 $AGR2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18178 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 18178 _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 $AGR2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-151D . . . . . . 18178 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18178 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N/2H AGR2' _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 AGR2 '[U-13C; U-15N; U-2H]' . . 1 $AGR2 . . 1 . . mM . . . . 18178 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18178 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18178 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18178 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18178 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18178 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13CH3 ILV labelled' _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 AGR2 '[U-13C; U-15N; U-2H]' . . 1 $AGR2 . . 1 . . mM . . . . 18178 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18178 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18178 2 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18178 2 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18178 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18178 _Sample.ID 3 _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AGR2 [U-15N] . . 1 $AGR2 . . 1 . . mM . . . . 18178 3 2 'Pf1 phage' 'natural abundance' . . . . . . 10 . . mg . . . . 18178 3 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18178 3 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18178 3 5 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18178 3 6 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18178 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18178 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system PEG _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 AGR2 [U-15N] . . 1 $AGR2 . . 1 . . mM . . . . 18178 4 2 PEG:Hexanol 'natural abundance' . . . . . . 5 . . % . . . . 18178 4 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18178 4 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18178 4 5 MES 'natural abundance' . . . . . . 20 . . mM . . . . 18178 4 6 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 18178 4 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 18178 _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 18178 1 pH 6.5 . pH 18178 1 pressure 1 . atm 18178 1 temperature 298 . K 18178 1 stop_ save_ ############################ # Computer software used # ############################ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 18178 _Software.ID 1 _Software.Name CNSSOLVE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18178 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18178 1 'structure solution' 18178 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 18178 _Software.ID 2 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18178 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18178 2 'peak picking' 18178 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18178 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18178 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18178 3 processing 18178 3 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 18178 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18178 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 18178 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18178 1 2 spectrometer_2 Bruker Avance . 800 . . . 18178 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 18178 _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 . . . . . . . . . . . . . . . . . . . . . 18178 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18178 1 3 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18178 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18178 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18178 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18178 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18178 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18178 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18178 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18178 1 11 IPAP no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18178 1 12 IPAP no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18178 1 13 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18178 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 18178 _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 na indirect 0.251449530 . . . . . . . . . 18178 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 18178 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 18178 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 18178 _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' . . . 18178 1 2 '2D 1H-13C HSQC' . . . 18178 1 3 '3D HN(COCA)CB' . . . 18178 1 4 '3D HNCO' . . . 18178 1 5 '3D HNCA' . . . 18178 1 6 '3D HNCACB' . . . 18178 1 7 '3D HN(CO)CA' . . . 18178 1 8 '2D 1H-15N HSQC' . . . 18178 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 6 6 PRO C C 13 177.082 0.000 . 1 . . . A 41 PRO C . 18178 1 2 . 1 1 6 6 PRO CA C 13 62.552 0.016 . 1 . . . A 41 PRO CA . 18178 1 3 . 1 1 6 6 PRO CB C 13 31.250 0.000 . 1 . . . A 41 PRO CB . 18178 1 4 . 1 1 7 7 GLN H H 1 8.364 0.002 . 1 . . . A 42 GLN H . 18178 1 5 . 1 1 7 7 GLN C C 13 177.981 0.014 . 1 . . . A 42 GLN C . 18178 1 6 . 1 1 7 7 GLN CA C 13 56.032 0.017 . 1 . . . A 42 GLN CA . 18178 1 7 . 1 1 7 7 GLN CB C 13 30.915 0.070 . 1 . . . A 42 GLN CB . 18178 1 8 . 1 1 7 7 GLN N N 15 120.179 0.058 . 1 . . . A 42 GLN N . 18178 1 9 . 1 1 8 8 THR H H 1 8.350 0.003 . 1 . . . A 43 THR H . 18178 1 10 . 1 1 8 8 THR C C 13 175.020 0.033 . 1 . . . A 43 THR C . 18178 1 11 . 1 1 8 8 THR CA C 13 59.007 0.027 . 1 . . . A 43 THR CA . 18178 1 12 . 1 1 8 8 THR CB C 13 70.140 0.038 . 1 . . . A 43 THR CB . 18178 1 13 . 1 1 8 8 THR N N 15 114.869 0.058 . 1 . . . A 43 THR N . 18178 1 14 . 1 1 9 9 LEU H H 1 7.370 0.007 . 1 . . . A 44 LEU H . 18178 1 15 . 1 1 9 9 LEU HD11 H 1 0.687 0.006 . 1 . . . A 44 LEU HD11 . 18178 1 16 . 1 1 9 9 LEU HD12 H 1 0.687 0.006 . 1 . . . A 44 LEU HD12 . 18178 1 17 . 1 1 9 9 LEU HD13 H 1 0.687 0.006 . 1 . . . A 44 LEU HD13 . 18178 1 18 . 1 1 9 9 LEU HD21 H 1 0.709 0.005 . 1 . . . A 44 LEU HD21 . 18178 1 19 . 1 1 9 9 LEU HD22 H 1 0.709 0.005 . 1 . . . A 44 LEU HD22 . 18178 1 20 . 1 1 9 9 LEU HD23 H 1 0.709 0.005 . 1 . . . A 44 LEU HD23 . 18178 1 21 . 1 1 9 9 LEU C C 13 178.673 0.022 . 1 . . . A 44 LEU C . 18178 1 22 . 1 1 9 9 LEU CA C 13 56.229 0.064 . 1 . . . A 44 LEU CA . 18178 1 23 . 1 1 9 9 LEU CB C 13 41.446 0.062 . 1 . . . A 44 LEU CB . 18178 1 24 . 1 1 9 9 LEU CG C 13 27.097 0.008 . 1 . . . A 44 LEU CG . 18178 1 25 . 1 1 9 9 LEU CD1 C 13 24.237 0.042 . 1 . . . A 44 LEU CD1 . 18178 1 26 . 1 1 9 9 LEU CD2 C 13 25.080 0.061 . 1 . . . A 44 LEU CD2 . 18178 1 27 . 1 1 9 9 LEU N N 15 118.668 0.064 . 1 . . . A 44 LEU N . 18178 1 28 . 1 1 10 10 SER H H 1 8.783 0.004 . 1 . . . A 45 SER H . 18178 1 29 . 1 1 10 10 SER C C 13 174.912 0.000 . 1 . . . A 45 SER C . 18178 1 30 . 1 1 10 10 SER CA C 13 58.310 0.049 . 1 . . . A 45 SER CA . 18178 1 31 . 1 1 10 10 SER CB C 13 64.467 0.019 . 1 . . . A 45 SER CB . 18178 1 32 . 1 1 10 10 SER N N 15 112.616 0.060 . 1 . . . A 45 SER N . 18178 1 33 . 1 1 11 11 ARG H H 1 7.608 0.003 . 1 . . . A 46 ARG H . 18178 1 34 . 1 1 11 11 ARG C C 13 174.775 0.000 . 1 . . . A 46 ARG C . 18178 1 35 . 1 1 11 11 ARG CA C 13 57.196 0.064 . 1 . . . A 46 ARG CA . 18178 1 36 . 1 1 11 11 ARG CB C 13 26.615 0.035 . 1 . . . A 46 ARG CB . 18178 1 37 . 1 1 11 11 ARG N N 15 109.560 0.046 . 1 . . . A 46 ARG N . 18178 1 38 . 1 1 12 12 GLY H H 1 7.511 0.003 . 1 . . . A 47 GLY H . 18178 1 39 . 1 1 12 12 GLY C C 13 175.372 0.021 . 1 . . . A 47 GLY C . 18178 1 40 . 1 1 12 12 GLY CA C 13 44.588 0.056 . 1 . . . A 47 GLY CA . 18178 1 41 . 1 1 12 12 GLY N N 15 102.730 0.049 . 1 . . . A 47 GLY N . 18178 1 42 . 1 1 13 13 TRP H H 1 7.825 0.003 . 1 . . . A 48 TRP H . 18178 1 43 . 1 1 13 13 TRP C C 13 176.507 0.000 . 1 . . . A 48 TRP C . 18178 1 44 . 1 1 13 13 TRP CA C 13 59.620 0.027 . 1 . . . A 48 TRP CA . 18178 1 45 . 1 1 13 13 TRP CB C 13 28.558 0.035 . 1 . . . A 48 TRP CB . 18178 1 46 . 1 1 13 13 TRP N N 15 121.740 0.054 . 1 . . . A 48 TRP N . 18178 1 47 . 1 1 14 14 GLY H H 1 7.528 0.006 . 1 . . . A 49 GLY H . 18178 1 48 . 1 1 14 14 GLY C C 13 176.293 0.000 . 1 . . . A 49 GLY C . 18178 1 49 . 1 1 14 14 GLY CA C 13 48.517 0.036 . 1 . . . A 49 GLY CA . 18178 1 50 . 1 1 14 14 GLY N N 15 101.240 0.044 . 1 . . . A 49 GLY N . 18178 1 51 . 1 1 15 15 ASP H H 1 9.473 0.005 . 1 . . . A 50 ASP H . 18178 1 52 . 1 1 15 15 ASP C C 13 177.113 0.000 . 1 . . . A 50 ASP C . 18178 1 53 . 1 1 15 15 ASP CA C 13 57.501 0.037 . 1 . . . A 50 ASP CA . 18178 1 54 . 1 1 15 15 ASP CB C 13 39.458 0.028 . 1 . . . A 50 ASP CB . 18178 1 55 . 1 1 15 15 ASP N N 15 130.670 0.053 . 1 . . . A 50 ASP N . 18178 1 56 . 1 1 16 16 GLN H H 1 8.765 0.002 . 1 . . . A 51 GLN H . 18178 1 57 . 1 1 16 16 GLN HE21 H 1 7.409 0.003 . 1 . . . A 51 GLN HE21 . 18178 1 58 . 1 1 16 16 GLN HE22 H 1 7.123 0.005 . 1 . . . A 51 GLN HE22 . 18178 1 59 . 1 1 16 16 GLN C C 13 175.548 0.032 . 1 . . . A 51 GLN C . 18178 1 60 . 1 1 16 16 GLN CA C 13 55.057 0.013 . 1 . . . A 51 GLN CA . 18178 1 61 . 1 1 16 16 GLN CB C 13 26.916 0.032 . 1 . . . A 51 GLN CB . 18178 1 62 . 1 1 16 16 GLN CG C 13 33.162 0.000 . 1 . . . A 51 GLN CG . 18178 1 63 . 1 1 16 16 GLN CD C 13 180.949 0.026 . 1 . . . A 51 GLN CD . 18178 1 64 . 1 1 16 16 GLN N N 15 116.513 0.037 . 1 . . . A 51 GLN N . 18178 1 65 . 1 1 16 16 GLN NE2 N 15 112.880 0.004 . 1 . . . A 51 GLN NE2 . 18178 1 66 . 1 1 17 17 LEU H H 1 7.292 0.009 . 1 . . . A 52 LEU H . 18178 1 67 . 1 1 17 17 LEU HD11 H 1 0.732 0.012 . 1 . . . A 52 LEU HD11 . 18178 1 68 . 1 1 17 17 LEU HD12 H 1 0.732 0.012 . 1 . . . A 52 LEU HD12 . 18178 1 69 . 1 1 17 17 LEU HD13 H 1 0.732 0.012 . 1 . . . A 52 LEU HD13 . 18178 1 70 . 1 1 17 17 LEU HD21 H 1 0.789 0.015 . 1 . . . A 52 LEU HD21 . 18178 1 71 . 1 1 17 17 LEU HD22 H 1 0.789 0.015 . 1 . . . A 52 LEU HD22 . 18178 1 72 . 1 1 17 17 LEU HD23 H 1 0.789 0.015 . 1 . . . A 52 LEU HD23 . 18178 1 73 . 1 1 17 17 LEU C C 13 175.291 0.025 . 1 . . . A 52 LEU C . 18178 1 74 . 1 1 17 17 LEU CA C 13 52.872 0.038 . 1 . . . A 52 LEU CA . 18178 1 75 . 1 1 17 17 LEU CB C 13 41.335 0.028 . 1 . . . A 52 LEU CB . 18178 1 76 . 1 1 17 17 LEU CG C 13 25.894 0.024 . 1 . . . A 52 LEU CG . 18178 1 77 . 1 1 17 17 LEU CD1 C 13 22.347 0.043 . 1 . . . A 52 LEU CD1 . 18178 1 78 . 1 1 17 17 LEU CD2 C 13 25.775 0.169 . 1 . . . A 52 LEU CD2 . 18178 1 79 . 1 1 17 17 LEU N N 15 120.429 0.067 . 1 . . . A 52 LEU N . 18178 1 80 . 1 1 18 18 ILE H H 1 8.273 0.010 . 1 . . . A 53 ILE H . 18178 1 81 . 1 1 18 18 ILE HD11 H 1 0.704 0.004 . 1 . . . A 53 ILE HD11 . 18178 1 82 . 1 1 18 18 ILE HD12 H 1 0.704 0.004 . 1 . . . A 53 ILE HD12 . 18178 1 83 . 1 1 18 18 ILE HD13 H 1 0.704 0.004 . 1 . . . A 53 ILE HD13 . 18178 1 84 . 1 1 18 18 ILE C C 13 176.343 0.000 . 1 . . . A 53 ILE C . 18178 1 85 . 1 1 18 18 ILE CA C 13 59.297 0.047 . 1 . . . A 53 ILE CA . 18178 1 86 . 1 1 18 18 ILE CB C 13 35.455 0.036 . 1 . . . A 53 ILE CB . 18178 1 87 . 1 1 18 18 ILE CG1 C 13 25.933 0.000 . 1 . . . A 53 ILE CG1 . 18178 1 88 . 1 1 18 18 ILE CG2 C 13 16.490 0.000 . 1 . . . A 53 ILE CG2 . 18178 1 89 . 1 1 18 18 ILE CD1 C 13 11.295 0.036 . 1 . . . A 53 ILE CD1 . 18178 1 90 . 1 1 18 18 ILE N N 15 118.709 0.056 . 1 . . . A 53 ILE N . 18178 1 91 . 1 1 19 19 TRP H H 1 9.483 0.004 . 1 . . . A 54 TRP H . 18178 1 92 . 1 1 19 19 TRP C C 13 176.626 0.004 . 1 . . . A 54 TRP C . 18178 1 93 . 1 1 19 19 TRP CA C 13 56.104 0.017 . 1 . . . A 54 TRP CA . 18178 1 94 . 1 1 19 19 TRP CB C 13 30.536 0.022 . 1 . . . A 54 TRP CB . 18178 1 95 . 1 1 19 19 TRP N N 15 130.785 0.053 . 1 . . . A 54 TRP N . 18178 1 96 . 1 1 20 20 THR H H 1 8.818 0.004 . 1 . . . A 55 THR H . 18178 1 97 . 1 1 20 20 THR C C 13 173.318 0.039 . 1 . . . A 55 THR C . 18178 1 98 . 1 1 20 20 THR CA C 13 61.975 0.013 . 1 . . . A 55 THR CA . 18178 1 99 . 1 1 20 20 THR CB C 13 69.738 0.000 . 1 . . . A 55 THR CB . 18178 1 100 . 1 1 20 20 THR N N 15 117.137 0.043 . 1 . . . A 55 THR N . 18178 1 101 . 1 1 21 21 GLN H H 1 9.286 0.003 . 1 . . . A 56 GLN H . 18178 1 102 . 1 1 21 21 GLN C C 13 175.566 0.025 . 1 . . . A 56 GLN C . 18178 1 103 . 1 1 21 21 GLN CA C 13 59.182 0.028 . 1 . . . A 56 GLN CA . 18178 1 104 . 1 1 21 21 GLN CB C 13 28.699 0.027 . 1 . . . A 56 GLN CB . 18178 1 105 . 1 1 21 21 GLN N N 15 124.248 0.048 . 1 . . . A 56 GLN N . 18178 1 106 . 1 1 22 22 THR H H 1 7.191 0.004 . 1 . . . A 57 THR H . 18178 1 107 . 1 1 22 22 THR C C 13 174.797 0.026 . 1 . . . A 57 THR C . 18178 1 108 . 1 1 22 22 THR CA C 13 57.913 0.028 . 1 . . . A 57 THR CA . 18178 1 109 . 1 1 22 22 THR CB C 13 72.144 0.016 . 1 . . . A 57 THR CB . 18178 1 110 . 1 1 22 22 THR N N 15 102.859 0.048 . 1 . . . A 57 THR N . 18178 1 111 . 1 1 23 23 TYR H H 1 9.563 0.005 . 1 . . . A 58 TYR H . 18178 1 112 . 1 1 23 23 TYR C C 13 176.917 0.017 . 1 . . . A 58 TYR C . 18178 1 113 . 1 1 23 23 TYR CA C 13 58.838 0.023 . 1 . . . A 58 TYR CA . 18178 1 114 . 1 1 23 23 TYR CB C 13 37.955 0.023 . 1 . . . A 58 TYR CB . 18178 1 115 . 1 1 23 23 TYR N N 15 123.004 0.047 . 1 . . . A 58 TYR N . 18178 1 116 . 1 1 24 24 GLU H H 1 9.964 0.003 . 1 . . . A 59 GLU H . 18178 1 117 . 1 1 24 24 GLU C C 13 179.450 0.000 . 1 . . . A 59 GLU C . 18178 1 118 . 1 1 24 24 GLU CA C 13 59.779 0.036 . 1 . . . A 59 GLU CA . 18178 1 119 . 1 1 24 24 GLU CB C 13 26.475 0.042 . 1 . . . A 59 GLU CB . 18178 1 120 . 1 1 24 24 GLU N N 15 116.310 0.058 . 1 . . . A 59 GLU N . 18178 1 121 . 1 1 25 25 GLU H H 1 7.176 0.005 . 1 . . . A 60 GLU H . 18178 1 122 . 1 1 25 25 GLU C C 13 177.636 0.000 . 1 . . . A 60 GLU C . 18178 1 123 . 1 1 25 25 GLU CA C 13 57.738 0.041 . 1 . . . A 60 GLU CA . 18178 1 124 . 1 1 25 25 GLU CB C 13 28.894 0.011 . 1 . . . A 60 GLU CB . 18178 1 125 . 1 1 25 25 GLU N N 15 121.906 0.062 . 1 . . . A 60 GLU N . 18178 1 126 . 1 1 26 26 ALA H H 1 8.211 0.004 . 1 . . . A 61 ALA H . 18178 1 127 . 1 1 26 26 ALA C C 13 179.565 0.001 . 1 . . . A 61 ALA C . 18178 1 128 . 1 1 26 26 ALA CA C 13 54.974 0.028 . 1 . . . A 61 ALA CA . 18178 1 129 . 1 1 26 26 ALA CB C 13 18.007 0.042 . 1 . . . A 61 ALA CB . 18178 1 130 . 1 1 26 26 ALA N N 15 122.967 0.047 . 1 . . . A 61 ALA N . 18178 1 131 . 1 1 27 27 LEU H H 1 8.423 0.005 . 1 . . . A 62 LEU H . 18178 1 132 . 1 1 27 27 LEU HD11 H 1 0.184 0.006 . 1 . . . A 62 LEU HD11 . 18178 1 133 . 1 1 27 27 LEU HD12 H 1 0.184 0.006 . 1 . . . A 62 LEU HD12 . 18178 1 134 . 1 1 27 27 LEU HD13 H 1 0.184 0.006 . 1 . . . A 62 LEU HD13 . 18178 1 135 . 1 1 27 27 LEU HD21 H 1 0.561 0.008 . 1 . . . A 62 LEU HD21 . 18178 1 136 . 1 1 27 27 LEU HD22 H 1 0.561 0.008 . 1 . . . A 62 LEU HD22 . 18178 1 137 . 1 1 27 27 LEU HD23 H 1 0.561 0.008 . 1 . . . A 62 LEU HD23 . 18178 1 138 . 1 1 27 27 LEU C C 13 178.879 0.014 . 1 . . . A 62 LEU C . 18178 1 139 . 1 1 27 27 LEU CA C 13 57.046 0.038 . 1 . . . A 62 LEU CA . 18178 1 140 . 1 1 27 27 LEU CB C 13 40.927 0.018 . 1 . . . A 62 LEU CB . 18178 1 141 . 1 1 27 27 LEU CD1 C 13 24.929 0.014 . 1 . . . A 62 LEU CD1 . 18178 1 142 . 1 1 27 27 LEU CD2 C 13 22.208 0.081 . 1 . . . A 62 LEU CD2 . 18178 1 143 . 1 1 27 27 LEU N N 15 117.697 0.046 . 1 . . . A 62 LEU N . 18178 1 144 . 1 1 28 28 TYR H H 1 6.951 0.004 . 1 . . . A 63 TYR H . 18178 1 145 . 1 1 28 28 TYR C C 13 179.740 0.007 . 1 . . . A 63 TYR C . 18178 1 146 . 1 1 28 28 TYR CA C 13 61.096 0.016 . 1 . . . A 63 TYR CA . 18178 1 147 . 1 1 28 28 TYR CB C 13 37.014 0.045 . 1 . . . A 63 TYR CB . 18178 1 148 . 1 1 28 28 TYR N N 15 118.808 0.055 . 1 . . . A 63 TYR N . 18178 1 149 . 1 1 29 29 LYS H H 1 8.789 0.003 . 1 . . . A 64 LYS H . 18178 1 150 . 1 1 29 29 LYS C C 13 179.820 0.000 . 1 . . . A 64 LYS C . 18178 1 151 . 1 1 29 29 LYS CA C 13 58.815 0.030 . 1 . . . A 64 LYS CA . 18178 1 152 . 1 1 29 29 LYS CB C 13 31.538 0.012 . 1 . . . A 64 LYS CB . 18178 1 153 . 1 1 29 29 LYS N N 15 120.900 0.051 . 1 . . . A 64 LYS N . 18178 1 154 . 1 1 30 30 SER H H 1 8.547 0.003 . 1 . . . A 65 SER H . 18178 1 155 . 1 1 30 30 SER C C 13 176.913 0.000 . 1 . . . A 65 SER C . 18178 1 156 . 1 1 30 30 SER CA C 13 61.094 0.025 . 1 . . . A 65 SER CA . 18178 1 157 . 1 1 30 30 SER CB C 13 63.219 0.020 . 1 . . . A 65 SER CB . 18178 1 158 . 1 1 30 30 SER N N 15 118.160 0.054 . 1 . . . A 65 SER N . 18178 1 159 . 1 1 31 31 LYS H H 1 8.027 0.005 . 1 . . . A 66 LYS H . 18178 1 160 . 1 1 31 31 LYS C C 13 180.181 0.001 . 1 . . . A 66 LYS C . 18178 1 161 . 1 1 31 31 LYS CA C 13 58.686 0.027 . 1 . . . A 66 LYS CA . 18178 1 162 . 1 1 31 31 LYS CB C 13 31.286 0.028 . 1 . . . A 66 LYS CB . 18178 1 163 . 1 1 31 31 LYS N N 15 117.215 0.047 . 1 . . . A 66 LYS N . 18178 1 164 . 1 1 32 32 THR H H 1 7.855 0.003 . 1 . . . A 67 THR H . 18178 1 165 . 1 1 32 32 THR C C 13 176.580 0.024 . 1 . . . A 67 THR C . 18178 1 166 . 1 1 32 32 THR CA C 13 64.458 0.026 . 1 . . . A 67 THR CA . 18178 1 167 . 1 1 32 32 THR CB C 13 68.750 0.024 . 1 . . . A 67 THR CB . 18178 1 168 . 1 1 32 32 THR N N 15 109.818 0.067 . 1 . . . A 67 THR N . 18178 1 169 . 1 1 33 33 SER H H 1 7.970 0.005 . 1 . . . A 68 SER H . 18178 1 170 . 1 1 33 33 SER C C 13 174.922 0.037 . 1 . . . A 68 SER C . 18178 1 171 . 1 1 33 33 SER CA C 13 58.781 0.018 . 1 . . . A 68 SER CA . 18178 1 172 . 1 1 33 33 SER CB C 13 64.416 0.010 . 1 . . . A 68 SER CB . 18178 1 173 . 1 1 33 33 SER N N 15 115.227 0.056 . 1 . . . A 68 SER N . 18178 1 174 . 1 1 34 34 ASN H H 1 8.047 0.003 . 1 . . . A 69 ASN H . 18178 1 175 . 1 1 34 34 ASN HD21 H 1 7.372 0.003 . 1 . . . A 69 ASN HD21 . 18178 1 176 . 1 1 34 34 ASN HD22 H 1 6.424 0.006 . 1 . . . A 69 ASN HD22 . 18178 1 177 . 1 1 34 34 ASN C C 13 173.476 0.044 . 1 . . . A 69 ASN C . 18178 1 178 . 1 1 34 34 ASN CA C 13 53.879 0.037 . 1 . . . A 69 ASN CA . 18178 1 179 . 1 1 34 34 ASN CB C 13 37.874 0.038 . 1 . . . A 69 ASN CB . 18178 1 180 . 1 1 34 34 ASN CG C 13 177.979 0.016 . 1 . . . A 69 ASN CG . 18178 1 181 . 1 1 34 34 ASN N N 15 121.291 0.057 . 1 . . . A 69 ASN N . 18178 1 182 . 1 1 34 34 ASN ND2 N 15 110.282 0.000 . 1 . . . A 69 ASN ND2 . 18178 1 183 . 1 1 35 35 LYS H H 1 7.593 0.004 . 1 . . . A 70 LYS H . 18178 1 184 . 1 1 35 35 LYS C C 13 173.628 0.000 . 1 . . . A 70 LYS C . 18178 1 185 . 1 1 35 35 LYS CA C 13 52.978 0.023 . 1 . . . A 70 LYS CA . 18178 1 186 . 1 1 35 35 LYS CB C 13 32.954 0.000 . 1 . . . A 70 LYS CB . 18178 1 187 . 1 1 35 35 LYS N N 15 117.181 0.052 . 1 . . . A 70 LYS N . 18178 1 188 . 1 1 36 36 PRO C C 13 172.506 0.000 . 1 . . . A 71 PRO C . 18178 1 189 . 1 1 36 36 PRO CA C 13 61.842 0.000 . 1 . . . A 71 PRO CA . 18178 1 190 . 1 1 36 36 PRO CB C 13 31.036 0.000 . 1 . . . A 71 PRO CB . 18178 1 191 . 1 1 37 37 LEU H H 1 8.907 0.004 . 1 . . . A 72 LEU H . 18178 1 192 . 1 1 37 37 LEU HD11 H 1 0.681 0.004 . 1 . . . A 72 LEU HD11 . 18178 1 193 . 1 1 37 37 LEU HD12 H 1 0.681 0.004 . 1 . . . A 72 LEU HD12 . 18178 1 194 . 1 1 37 37 LEU HD13 H 1 0.681 0.004 . 1 . . . A 72 LEU HD13 . 18178 1 195 . 1 1 37 37 LEU HD21 H 1 0.687 0.005 . 1 . . . A 72 LEU HD21 . 18178 1 196 . 1 1 37 37 LEU HD22 H 1 0.687 0.005 . 1 . . . A 72 LEU HD22 . 18178 1 197 . 1 1 37 37 LEU HD23 H 1 0.687 0.005 . 1 . . . A 72 LEU HD23 . 18178 1 198 . 1 1 37 37 LEU C C 13 174.764 0.000 . 1 . . . A 72 LEU C . 18178 1 199 . 1 1 37 37 LEU CA C 13 52.206 0.000 . 1 . . . A 72 LEU CA . 18178 1 200 . 1 1 37 37 LEU CB C 13 43.927 0.000 . 1 . . . A 72 LEU CB . 18178 1 201 . 1 1 37 37 LEU CD1 C 13 24.653 0.029 . 1 . . . A 72 LEU CD1 . 18178 1 202 . 1 1 37 37 LEU CD2 C 13 26.694 0.028 . 1 . . . A 72 LEU CD2 . 18178 1 203 . 1 1 37 37 LEU N N 15 122.686 0.047 . 1 . . . A 72 LEU N . 18178 1 204 . 1 1 38 38 MET H H 1 8.953 0.003 . 1 . . . A 73 MET H . 18178 1 205 . 1 1 38 38 MET C C 13 172.821 0.000 . 1 . . . A 73 MET C . 18178 1 206 . 1 1 38 38 MET CA C 13 54.285 0.000 . 1 . . . A 73 MET CA . 18178 1 207 . 1 1 38 38 MET CB C 13 34.353 0.007 . 1 . . . A 73 MET CB . 18178 1 208 . 1 1 38 38 MET N N 15 128.570 0.054 . 1 . . . A 73 MET N . 18178 1 209 . 1 1 39 39 ILE H H 1 8.723 0.004 . 1 . . . A 74 ILE H . 18178 1 210 . 1 1 39 39 ILE HD11 H 1 0.736 0.005 . 1 . . . A 74 ILE HD11 . 18178 1 211 . 1 1 39 39 ILE HD12 H 1 0.736 0.005 . 1 . . . A 74 ILE HD12 . 18178 1 212 . 1 1 39 39 ILE HD13 H 1 0.736 0.005 . 1 . . . A 74 ILE HD13 . 18178 1 213 . 1 1 39 39 ILE C C 13 175.426 0.000 . 1 . . . A 74 ILE C . 18178 1 214 . 1 1 39 39 ILE CA C 13 59.032 0.000 . 1 . . . A 74 ILE CA . 18178 1 215 . 1 1 39 39 ILE CB C 13 39.420 0.000 . 1 . . . A 74 ILE CB . 18178 1 216 . 1 1 39 39 ILE CG1 C 13 26.480 0.000 . 1 . . . A 74 ILE CG1 . 18178 1 217 . 1 1 39 39 ILE CD1 C 13 16.341 0.039 . 1 . . . A 74 ILE CD1 . 18178 1 218 . 1 1 39 39 ILE N N 15 123.777 0.038 . 1 . . . A 74 ILE N . 18178 1 219 . 1 1 40 40 ILE H H 1 8.579 0.006 . 1 . . . A 75 ILE H . 18178 1 220 . 1 1 40 40 ILE HD11 H 1 -0.072 0.009 . 1 . . . A 75 ILE HD11 . 18178 1 221 . 1 1 40 40 ILE HD12 H 1 -0.072 0.009 . 1 . . . A 75 ILE HD12 . 18178 1 222 . 1 1 40 40 ILE HD13 H 1 -0.072 0.009 . 1 . . . A 75 ILE HD13 . 18178 1 223 . 1 1 40 40 ILE C C 13 175.404 0.000 . 1 . . . A 75 ILE C . 18178 1 224 . 1 1 40 40 ILE CA C 13 59.953 0.052 . 1 . . . A 75 ILE CA . 18178 1 225 . 1 1 40 40 ILE CB C 13 38.907 0.013 . 1 . . . A 75 ILE CB . 18178 1 226 . 1 1 40 40 ILE CG1 C 13 25.999 0.063 . 1 . . . A 75 ILE CG1 . 18178 1 227 . 1 1 40 40 ILE CD1 C 13 14.065 0.058 . 1 . . . A 75 ILE CD1 . 18178 1 228 . 1 1 40 40 ILE N N 15 126.599 0.051 . 1 . . . A 75 ILE N . 18178 1 229 . 1 1 41 41 HIS H H 1 9.162 0.004 . 1 . . . A 76 HIS H . 18178 1 230 . 1 1 41 41 HIS C C 13 174.829 0.022 . 1 . . . A 76 HIS C . 18178 1 231 . 1 1 41 41 HIS CA C 13 55.881 0.043 . 1 . . . A 76 HIS CA . 18178 1 232 . 1 1 41 41 HIS CB C 13 28.547 0.025 . 1 . . . A 76 HIS CB . 18178 1 233 . 1 1 41 41 HIS N N 15 128.289 0.055 . 1 . . . A 76 HIS N . 18178 1 234 . 1 1 42 42 HIS H H 1 8.874 0.003 . 1 . . . A 77 HIS H . 18178 1 235 . 1 1 42 42 HIS C C 13 171.293 0.022 . 1 . . . A 77 HIS C . 18178 1 236 . 1 1 42 42 HIS CA C 13 54.323 0.078 . 1 . . . A 77 HIS CA . 18178 1 237 . 1 1 42 42 HIS CB C 13 33.828 0.010 . 1 . . . A 77 HIS CB . 18178 1 238 . 1 1 42 42 HIS N N 15 120.585 0.056 . 1 . . . A 77 HIS N . 18178 1 239 . 1 1 43 43 LEU H H 1 7.179 0.010 . 1 . . . A 78 LEU H . 18178 1 240 . 1 1 43 43 LEU HD11 H 1 0.822 0.005 . 1 . . . A 78 LEU HD11 . 18178 1 241 . 1 1 43 43 LEU HD12 H 1 0.822 0.005 . 1 . . . A 78 LEU HD12 . 18178 1 242 . 1 1 43 43 LEU HD13 H 1 0.822 0.005 . 1 . . . A 78 LEU HD13 . 18178 1 243 . 1 1 43 43 LEU HD21 H 1 0.988 0.005 . 1 . . . A 78 LEU HD21 . 18178 1 244 . 1 1 43 43 LEU HD22 H 1 0.988 0.005 . 1 . . . A 78 LEU HD22 . 18178 1 245 . 1 1 43 43 LEU HD23 H 1 0.988 0.005 . 1 . . . A 78 LEU HD23 . 18178 1 246 . 1 1 43 43 LEU C C 13 178.219 0.015 . 1 . . . A 78 LEU C . 18178 1 247 . 1 1 43 43 LEU CA C 13 53.682 0.070 . 1 . . . A 78 LEU CA . 18178 1 248 . 1 1 43 43 LEU CB C 13 45.615 0.070 . 1 . . . A 78 LEU CB . 18178 1 249 . 1 1 43 43 LEU CG C 13 26.508 0.000 . 1 . . . A 78 LEU CG . 18178 1 250 . 1 1 43 43 LEU CD1 C 13 25.393 0.046 . 1 . . . A 78 LEU CD1 . 18178 1 251 . 1 1 43 43 LEU CD2 C 13 23.641 0.041 . 1 . . . A 78 LEU CD2 . 18178 1 252 . 1 1 43 43 LEU N N 15 114.371 0.056 . 1 . . . A 78 LEU N . 18178 1 253 . 1 1 44 44 ASP H H 1 8.724 0.008 . 1 . . . A 79 ASP H . 18178 1 254 . 1 1 44 44 ASP C C 13 178.234 0.000 . 1 . . . A 79 ASP C . 18178 1 255 . 1 1 44 44 ASP CA C 13 57.048 0.059 . 1 . . . A 79 ASP CA . 18178 1 256 . 1 1 44 44 ASP CB C 13 40.117 0.006 . 1 . . . A 79 ASP CB . 18178 1 257 . 1 1 44 44 ASP N N 15 123.175 0.052 . 1 . . . A 79 ASP N . 18178 1 258 . 1 1 45 45 GLU H H 1 9.132 0.004 . 1 . . . A 80 GLU H . 18178 1 259 . 1 1 45 45 GLU C C 13 175.390 0.024 . 1 . . . A 80 GLU C . 18178 1 260 . 1 1 45 45 GLU CA C 13 56.149 0.010 . 1 . . . A 80 GLU CA . 18178 1 261 . 1 1 45 45 GLU CB C 13 27.750 0.024 . 1 . . . A 80 GLU CB . 18178 1 262 . 1 1 45 45 GLU N N 15 115.392 0.049 . 1 . . . A 80 GLU N . 18178 1 263 . 1 1 46 46 CYS H H 1 7.138 0.003 . 1 . . . A 81 CYS H . 18178 1 264 . 1 1 46 46 CYS C C 13 175.696 0.000 . 1 . . . A 81 CYS C . 18178 1 265 . 1 1 46 46 CYS CA C 13 55.858 0.000 . 1 . . . A 81 CYS CA . 18178 1 266 . 1 1 46 46 CYS CB C 13 29.724 0.000 . 1 . . . A 81 CYS CB . 18178 1 267 . 1 1 46 46 CYS N N 15 125.617 0.057 . 1 . . . A 81 CYS N . 18178 1 268 . 1 1 47 47 PRO C C 13 180.699 0.013 . 1 . . . A 82 PRO C . 18178 1 269 . 1 1 47 47 PRO CA C 13 64.034 0.001 . 1 . . . A 82 PRO CA . 18178 1 270 . 1 1 48 48 HIS H H 1 8.800 0.009 . 1 . . . A 83 HIS H . 18178 1 271 . 1 1 48 48 HIS C C 13 179.864 0.009 . 1 . . . A 83 HIS C . 18178 1 272 . 1 1 48 48 HIS CA C 13 58.718 0.066 . 1 . . . A 83 HIS CA . 18178 1 273 . 1 1 48 48 HIS CB C 13 28.738 0.000 . 1 . . . A 83 HIS CB . 18178 1 274 . 1 1 48 48 HIS N N 15 125.288 0.110 . 1 . . . A 83 HIS N . 18178 1 275 . 1 1 49 49 SER H H 1 11.465 0.005 . 1 . . . A 84 SER H . 18178 1 276 . 1 1 49 49 SER C C 13 175.786 0.000 . 1 . . . A 84 SER C . 18178 1 277 . 1 1 49 49 SER CA C 13 63.396 0.048 . 1 . . . A 84 SER CA . 18178 1 278 . 1 1 49 49 SER CB C 13 64.599 0.060 . 1 . . . A 84 SER CB . 18178 1 279 . 1 1 49 49 SER N N 15 129.791 0.075 . 1 . . . A 84 SER N . 18178 1 280 . 1 1 50 50 GLN H H 1 8.163 0.004 . 1 . . . A 85 GLN H . 18178 1 281 . 1 1 50 50 GLN HE21 H 1 7.001 0.004 . 1 . . . A 85 GLN HE21 . 18178 1 282 . 1 1 50 50 GLN HE22 H 1 6.686 0.003 . 1 . . . A 85 GLN HE22 . 18178 1 283 . 1 1 50 50 GLN C C 13 178.630 0.025 . 1 . . . A 85 GLN C . 18178 1 284 . 1 1 50 50 GLN CA C 13 57.662 0.051 . 1 . . . A 85 GLN CA . 18178 1 285 . 1 1 50 50 GLN CB C 13 26.440 0.028 . 1 . . . A 85 GLN CB . 18178 1 286 . 1 1 50 50 GLN CG C 13 33.327 0.001 . 1 . . . A 85 GLN CG . 18178 1 287 . 1 1 50 50 GLN CD C 13 180.670 0.016 . 1 . . . A 85 GLN CD . 18178 1 288 . 1 1 50 50 GLN N N 15 117.882 0.053 . 1 . . . A 85 GLN N . 18178 1 289 . 1 1 50 50 GLN NE2 N 15 111.695 0.002 . 1 . . . A 85 GLN NE2 . 18178 1 290 . 1 1 51 51 ALA H H 1 7.795 0.005 . 1 . . . A 86 ALA H . 18178 1 291 . 1 1 51 51 ALA C C 13 180.910 0.024 . 1 . . . A 86 ALA C . 18178 1 292 . 1 1 51 51 ALA CA C 13 54.254 0.057 . 1 . . . A 86 ALA CA . 18178 1 293 . 1 1 51 51 ALA CB C 13 17.555 0.000 . 1 . . . A 86 ALA CB . 18178 1 294 . 1 1 51 51 ALA N N 15 121.776 0.056 . 1 . . . A 86 ALA N . 18178 1 295 . 1 1 52 52 LEU H H 1 7.916 0.009 . 1 . . . A 87 LEU H . 18178 1 296 . 1 1 52 52 LEU HD11 H 1 0.771 0.003 . 1 . . . A 87 LEU HD11 . 18178 1 297 . 1 1 52 52 LEU HD12 H 1 0.771 0.003 . 1 . . . A 87 LEU HD12 . 18178 1 298 . 1 1 52 52 LEU HD13 H 1 0.771 0.003 . 1 . . . A 87 LEU HD13 . 18178 1 299 . 1 1 52 52 LEU HD21 H 1 1.104 0.007 . 1 . . . A 87 LEU HD21 . 18178 1 300 . 1 1 52 52 LEU HD22 H 1 1.104 0.007 . 1 . . . A 87 LEU HD22 . 18178 1 301 . 1 1 52 52 LEU HD23 H 1 1.104 0.007 . 1 . . . A 87 LEU HD23 . 18178 1 302 . 1 1 52 52 LEU C C 13 176.496 0.034 . 1 . . . A 87 LEU C . 18178 1 303 . 1 1 52 52 LEU CA C 13 56.577 0.065 . 1 . . . A 87 LEU CA . 18178 1 304 . 1 1 52 52 LEU CB C 13 40.946 0.060 . 1 . . . A 87 LEU CB . 18178 1 305 . 1 1 52 52 LEU CD1 C 13 21.766 0.040 . 1 . . . A 87 LEU CD1 . 18178 1 306 . 1 1 52 52 LEU CD2 C 13 25.929 0.011 . 1 . . . A 87 LEU CD2 . 18178 1 307 . 1 1 52 52 LEU N N 15 118.785 0.083 . 1 . . . A 87 LEU N . 18178 1 308 . 1 1 53 53 LYS H H 1 7.909 0.003 . 1 . . . A 88 LYS H . 18178 1 309 . 1 1 53 53 LYS C C 13 177.116 0.010 . 1 . . . A 88 LYS C . 18178 1 310 . 1 1 53 53 LYS CA C 13 58.522 0.017 . 1 . . . A 88 LYS CA . 18178 1 311 . 1 1 53 53 LYS CB C 13 30.562 0.010 . 1 . . . A 88 LYS CB . 18178 1 312 . 1 1 53 53 LYS N N 15 120.545 0.070 . 1 . . . A 88 LYS N . 18178 1 313 . 1 1 54 54 LYS H H 1 6.932 0.006 . 1 . . . A 89 LYS H . 18178 1 314 . 1 1 54 54 LYS C C 13 179.007 0.002 . 1 . . . A 89 LYS C . 18178 1 315 . 1 1 54 54 LYS CA C 13 58.812 0.056 . 1 . . . A 89 LYS CA . 18178 1 316 . 1 1 54 54 LYS CB C 13 31.635 0.024 . 1 . . . A 89 LYS CB . 18178 1 317 . 1 1 54 54 LYS N N 15 114.600 0.050 . 1 . . . A 89 LYS N . 18178 1 318 . 1 1 55 55 VAL H H 1 6.766 0.007 . 1 . . . A 90 VAL H . 18178 1 319 . 1 1 55 55 VAL HG11 H 1 1.072 0.008 . 1 . . . A 90 VAL HG11 . 18178 1 320 . 1 1 55 55 VAL HG12 H 1 1.072 0.008 . 1 . . . A 90 VAL HG12 . 18178 1 321 . 1 1 55 55 VAL HG13 H 1 1.072 0.008 . 1 . . . A 90 VAL HG13 . 18178 1 322 . 1 1 55 55 VAL HG21 H 1 1.217 0.005 . 1 . . . A 90 VAL HG21 . 18178 1 323 . 1 1 55 55 VAL HG22 H 1 1.217 0.005 . 1 . . . A 90 VAL HG22 . 18178 1 324 . 1 1 55 55 VAL HG23 H 1 1.217 0.005 . 1 . . . A 90 VAL HG23 . 18178 1 325 . 1 1 55 55 VAL C C 13 178.423 0.021 . 1 . . . A 90 VAL C . 18178 1 326 . 1 1 55 55 VAL CA C 13 63.912 0.037 . 1 . . . A 90 VAL CA . 18178 1 327 . 1 1 55 55 VAL CB C 13 30.586 0.046 . 1 . . . A 90 VAL CB . 18178 1 328 . 1 1 55 55 VAL CG1 C 13 21.993 0.045 . 1 . . . A 90 VAL CG1 . 18178 1 329 . 1 1 55 55 VAL CG2 C 13 21.131 0.046 . 1 . . . A 90 VAL CG2 . 18178 1 330 . 1 1 55 55 VAL N N 15 110.508 0.046 . 1 . . . A 90 VAL N . 18178 1 331 . 1 1 56 56 PHE H H 1 8.693 0.006 . 1 . . . A 91 PHE H . 18178 1 332 . 1 1 56 56 PHE C C 13 177.911 0.002 . 1 . . . A 91 PHE C . 18178 1 333 . 1 1 56 56 PHE CA C 13 61.331 0.022 . 1 . . . A 91 PHE CA . 18178 1 334 . 1 1 56 56 PHE CB C 13 41.010 0.065 . 1 . . . A 91 PHE CB . 18178 1 335 . 1 1 56 56 PHE N N 15 123.851 0.052 . 1 . . . A 91 PHE N . 18178 1 336 . 1 1 57 57 ALA H H 1 8.706 0.004 . 1 . . . A 92 ALA H . 18178 1 337 . 1 1 57 57 ALA C C 13 180.148 0.004 . 1 . . . A 92 ALA C . 18178 1 338 . 1 1 57 57 ALA CA C 13 53.768 0.034 . 1 . . . A 92 ALA CA . 18178 1 339 . 1 1 57 57 ALA CB C 13 17.661 0.044 . 1 . . . A 92 ALA CB . 18178 1 340 . 1 1 57 57 ALA N N 15 118.354 0.055 . 1 . . . A 92 ALA N . 18178 1 341 . 1 1 58 58 GLU H H 1 7.114 0.003 . 1 . . . A 93 GLU H . 18178 1 342 . 1 1 58 58 GLU C C 13 175.951 0.011 . 1 . . . A 93 GLU C . 18178 1 343 . 1 1 58 58 GLU CA C 13 55.445 0.050 . 1 . . . A 93 GLU CA . 18178 1 344 . 1 1 58 58 GLU CB C 13 29.629 0.017 . 1 . . . A 93 GLU CB . 18178 1 345 . 1 1 58 58 GLU N N 15 112.053 0.046 . 1 . . . A 93 GLU N . 18178 1 346 . 1 1 59 59 ASN H H 1 7.249 0.004 . 1 . . . A 94 ASN H . 18178 1 347 . 1 1 59 59 ASN HD21 H 1 7.561 0.006 . 1 . . . A 94 ASN HD21 . 18178 1 348 . 1 1 59 59 ASN HD22 H 1 7.041 0.007 . 1 . . . A 94 ASN HD22 . 18178 1 349 . 1 1 59 59 ASN C C 13 174.422 0.026 . 1 . . . A 94 ASN C . 18178 1 350 . 1 1 59 59 ASN CA C 13 53.611 0.020 . 1 . . . A 94 ASN CA . 18178 1 351 . 1 1 59 59 ASN CB C 13 38.023 0.007 . 1 . . . A 94 ASN CB . 18178 1 352 . 1 1 59 59 ASN N N 15 120.186 0.056 . 1 . . . A 94 ASN N . 18178 1 353 . 1 1 59 59 ASN ND2 N 15 112.601 0.006 . 1 . . . A 94 ASN ND2 . 18178 1 354 . 1 1 60 60 LYS H H 1 8.649 0.002 . 1 . . . A 95 LYS H . 18178 1 355 . 1 1 60 60 LYS C C 13 179.401 0.017 . 1 . . . A 95 LYS C . 18178 1 356 . 1 1 60 60 LYS CA C 13 58.814 0.009 . 1 . . . A 95 LYS CA . 18178 1 357 . 1 1 60 60 LYS CB C 13 31.138 0.013 . 1 . . . A 95 LYS CB . 18178 1 358 . 1 1 60 60 LYS N N 15 127.094 0.052 . 1 . . . A 95 LYS N . 18178 1 359 . 1 1 61 61 GLU H H 1 7.960 0.003 . 1 . . . A 96 GLU H . 18178 1 360 . 1 1 61 61 GLU C C 13 179.955 0.029 . 1 . . . A 96 GLU C . 18178 1 361 . 1 1 61 61 GLU CA C 13 59.426 0.017 . 1 . . . A 96 GLU CA . 18178 1 362 . 1 1 61 61 GLU CB C 13 28.366 0.014 . 1 . . . A 96 GLU CB . 18178 1 363 . 1 1 61 61 GLU N N 15 119.095 0.041 . 1 . . . A 96 GLU N . 18178 1 364 . 1 1 62 62 ILE H H 1 8.465 0.005 . 1 . . . A 97 ILE H . 18178 1 365 . 1 1 62 62 ILE HD11 H 1 0.662 0.006 . 1 . . . A 97 ILE HD11 . 18178 1 366 . 1 1 62 62 ILE HD12 H 1 0.662 0.006 . 1 . . . A 97 ILE HD12 . 18178 1 367 . 1 1 62 62 ILE HD13 H 1 0.662 0.006 . 1 . . . A 97 ILE HD13 . 18178 1 368 . 1 1 62 62 ILE C C 13 177.489 0.022 . 1 . . . A 97 ILE C . 18178 1 369 . 1 1 62 62 ILE CA C 13 65.266 0.029 . 1 . . . A 97 ILE CA . 18178 1 370 . 1 1 62 62 ILE CB C 13 36.729 0.005 . 1 . . . A 97 ILE CB . 18178 1 371 . 1 1 62 62 ILE CG1 C 13 29.455 0.000 . 1 . . . A 97 ILE CG1 . 18178 1 372 . 1 1 62 62 ILE CG2 C 13 14.913 0.000 . 1 . . . A 97 ILE CG2 . 18178 1 373 . 1 1 62 62 ILE CD1 C 13 13.014 0.078 . 1 . . . A 97 ILE CD1 . 18178 1 374 . 1 1 62 62 ILE N N 15 122.469 0.045 . 1 . . . A 97 ILE N . 18178 1 375 . 1 1 63 63 GLN H H 1 8.023 0.004 . 1 . . . A 98 GLN H . 18178 1 376 . 1 1 63 63 GLN C C 13 178.476 0.011 . 1 . . . A 98 GLN C . 18178 1 377 . 1 1 63 63 GLN CA C 13 58.038 0.033 . 1 . . . A 98 GLN CA . 18178 1 378 . 1 1 63 63 GLN CB C 13 27.988 0.017 . 1 . . . A 98 GLN CB . 18178 1 379 . 1 1 63 63 GLN N N 15 115.266 0.042 . 1 . . . A 98 GLN N . 18178 1 380 . 1 1 64 64 LYS H H 1 7.548 0.002 . 1 . . . A 99 LYS H . 18178 1 381 . 1 1 64 64 LYS C C 13 180.132 0.018 . 1 . . . A 99 LYS C . 18178 1 382 . 1 1 64 64 LYS CA C 13 57.345 0.032 . 1 . . . A 99 LYS CA . 18178 1 383 . 1 1 64 64 LYS CB C 13 31.020 0.014 . 1 . . . A 99 LYS CB . 18178 1 384 . 1 1 64 64 LYS N N 15 116.152 0.051 . 1 . . . A 99 LYS N . 18178 1 385 . 1 1 65 65 LEU H H 1 7.907 0.004 . 1 . . . A 100 LEU H . 18178 1 386 . 1 1 65 65 LEU HD11 H 1 0.887 0.005 . 1 . . . A 100 LEU HD11 . 18178 1 387 . 1 1 65 65 LEU HD12 H 1 0.887 0.005 . 1 . . . A 100 LEU HD12 . 18178 1 388 . 1 1 65 65 LEU HD13 H 1 0.887 0.005 . 1 . . . A 100 LEU HD13 . 18178 1 389 . 1 1 65 65 LEU HD21 H 1 0.886 0.004 . 1 . . . A 100 LEU HD21 . 18178 1 390 . 1 1 65 65 LEU HD22 H 1 0.886 0.004 . 1 . . . A 100 LEU HD22 . 18178 1 391 . 1 1 65 65 LEU HD23 H 1 0.886 0.004 . 1 . . . A 100 LEU HD23 . 18178 1 392 . 1 1 65 65 LEU C C 13 178.767 0.000 . 1 . . . A 100 LEU C . 18178 1 393 . 1 1 65 65 LEU CA C 13 56.583 0.036 . 1 . . . A 100 LEU CA . 18178 1 394 . 1 1 65 65 LEU CB C 13 40.767 0.000 . 1 . . . A 100 LEU CB . 18178 1 395 . 1 1 65 65 LEU CD1 C 13 23.701 0.112 . 1 . . . A 100 LEU CD1 . 18178 1 396 . 1 1 65 65 LEU CD2 C 13 27.862 0.014 . 1 . . . A 100 LEU CD2 . 18178 1 397 . 1 1 65 65 LEU N N 15 122.371 0.059 . 1 . . . A 100 LEU N . 18178 1 398 . 1 1 66 66 ALA H H 1 8.470 0.008 . 1 . . . A 101 ALA H . 18178 1 399 . 1 1 66 66 ALA C C 13 177.824 0.000 . 1 . . . A 101 ALA C . 18178 1 400 . 1 1 66 66 ALA CA C 13 54.203 0.038 . 1 . . . A 101 ALA CA . 18178 1 401 . 1 1 66 66 ALA CB C 13 16.828 0.000 . 1 . . . A 101 ALA CB . 18178 1 402 . 1 1 66 66 ALA N N 15 119.317 0.137 . 1 . . . A 101 ALA N . 18178 1 403 . 1 1 67 67 GLU H H 1 7.014 0.006 . 1 . . . A 102 GLU H . 18178 1 404 . 1 1 67 67 GLU C C 13 178.662 0.020 . 1 . . . A 102 GLU C . 18178 1 405 . 1 1 67 67 GLU CA C 13 57.826 0.023 . 1 . . . A 102 GLU CA . 18178 1 406 . 1 1 67 67 GLU CB C 13 29.052 0.018 . 1 . . . A 102 GLU CB . 18178 1 407 . 1 1 67 67 GLU N N 15 112.370 0.058 . 1 . . . A 102 GLU N . 18178 1 408 . 1 1 68 68 GLN H H 1 8.162 0.004 . 1 . . . A 103 GLN H . 18178 1 409 . 1 1 68 68 GLN HE21 H 1 7.620 0.007 . 1 . . . A 103 GLN HE21 . 18178 1 410 . 1 1 68 68 GLN HE22 H 1 6.700 0.009 . 1 . . . A 103 GLN HE22 . 18178 1 411 . 1 1 68 68 GLN C C 13 173.459 0.052 . 1 . . . A 103 GLN C . 18178 1 412 . 1 1 68 68 GLN CA C 13 55.610 0.046 . 1 . . . A 103 GLN CA . 18178 1 413 . 1 1 68 68 GLN CB C 13 27.844 0.058 . 1 . . . A 103 GLN CB . 18178 1 414 . 1 1 68 68 GLN CG C 13 33.676 0.000 . 1 . . . A 103 GLN CG . 18178 1 415 . 1 1 68 68 GLN CD C 13 180.109 0.016 . 1 . . . A 103 GLN CD . 18178 1 416 . 1 1 68 68 GLN N N 15 116.027 0.048 . 1 . . . A 103 GLN N . 18178 1 417 . 1 1 68 68 GLN NE2 N 15 112.487 0.002 . 1 . . . A 103 GLN NE2 . 18178 1 418 . 1 1 69 69 PHE H H 1 7.647 0.004 . 1 . . . A 104 PHE H . 18178 1 419 . 1 1 69 69 PHE C C 13 177.709 0.000 . 1 . . . A 104 PHE C . 18178 1 420 . 1 1 69 69 PHE CA C 13 56.810 0.027 . 1 . . . A 104 PHE CA . 18178 1 421 . 1 1 69 69 PHE CB C 13 39.974 0.000 . 1 . . . A 104 PHE CB . 18178 1 422 . 1 1 69 69 PHE N N 15 116.764 0.054 . 1 . . . A 104 PHE N . 18178 1 423 . 1 1 70 70 VAL H H 1 8.932 0.007 . 1 . . . A 105 VAL H . 18178 1 424 . 1 1 70 70 VAL HG11 H 1 0.981 0.004 . 1 . . . A 105 VAL HG11 . 18178 1 425 . 1 1 70 70 VAL HG12 H 1 0.981 0.004 . 1 . . . A 105 VAL HG12 . 18178 1 426 . 1 1 70 70 VAL HG13 H 1 0.981 0.004 . 1 . . . A 105 VAL HG13 . 18178 1 427 . 1 1 70 70 VAL HG21 H 1 0.672 0.008 . 1 . . . A 105 VAL HG21 . 18178 1 428 . 1 1 70 70 VAL HG22 H 1 0.672 0.008 . 1 . . . A 105 VAL HG22 . 18178 1 429 . 1 1 70 70 VAL HG23 H 1 0.672 0.008 . 1 . . . A 105 VAL HG23 . 18178 1 430 . 1 1 70 70 VAL C C 13 174.511 0.010 . 1 . . . A 105 VAL C . 18178 1 431 . 1 1 70 70 VAL CA C 13 62.808 0.032 . 1 . . . A 105 VAL CA . 18178 1 432 . 1 1 70 70 VAL CB C 13 30.646 0.026 . 1 . . . A 105 VAL CB . 18178 1 433 . 1 1 70 70 VAL CG1 C 13 22.239 0.032 . 1 . . . A 105 VAL CG1 . 18178 1 434 . 1 1 70 70 VAL CG2 C 13 21.120 0.047 . 1 . . . A 105 VAL CG2 . 18178 1 435 . 1 1 70 70 VAL N N 15 120.752 0.000 . 1 . . . A 105 VAL N . 18178 1 436 . 1 1 71 71 LEU H H 1 8.450 0.007 . 1 . . . A 106 LEU H . 18178 1 437 . 1 1 71 71 LEU HD11 H 1 0.478 0.004 . 1 . . . A 106 LEU HD11 . 18178 1 438 . 1 1 71 71 LEU HD12 H 1 0.478 0.004 . 1 . . . A 106 LEU HD12 . 18178 1 439 . 1 1 71 71 LEU HD13 H 1 0.478 0.004 . 1 . . . A 106 LEU HD13 . 18178 1 440 . 1 1 71 71 LEU HD21 H 1 -0.090 0.005 . 1 . . . A 106 LEU HD21 . 18178 1 441 . 1 1 71 71 LEU HD22 H 1 -0.090 0.005 . 1 . . . A 106 LEU HD22 . 18178 1 442 . 1 1 71 71 LEU HD23 H 1 -0.090 0.005 . 1 . . . A 106 LEU HD23 . 18178 1 443 . 1 1 71 71 LEU C C 13 175.393 0.000 . 1 . . . A 106 LEU C . 18178 1 444 . 1 1 71 71 LEU CA C 13 53.338 0.005 . 1 . . . A 106 LEU CA . 18178 1 445 . 1 1 71 71 LEU CB C 13 43.767 0.000 . 1 . . . A 106 LEU CB . 18178 1 446 . 1 1 71 71 LEU CD1 C 13 23.863 0.037 . 1 . . . A 106 LEU CD1 . 18178 1 447 . 1 1 71 71 LEU CD2 C 13 27.060 0.013 . 1 . . . A 106 LEU CD2 . 18178 1 448 . 1 1 71 71 LEU N N 15 128.637 0.049 . 1 . . . A 106 LEU N . 18178 1 449 . 1 1 72 72 LEU H H 1 8.313 0.004 . 1 . . . A 107 LEU H . 18178 1 450 . 1 1 72 72 LEU HD11 H 1 0.703 0.008 . 1 . . . A 107 LEU HD11 . 18178 1 451 . 1 1 72 72 LEU HD12 H 1 0.703 0.008 . 1 . . . A 107 LEU HD12 . 18178 1 452 . 1 1 72 72 LEU HD13 H 1 0.703 0.008 . 1 . . . A 107 LEU HD13 . 18178 1 453 . 1 1 72 72 LEU C C 13 174.424 0.000 . 1 . . . A 107 LEU C . 18178 1 454 . 1 1 72 72 LEU CA C 13 53.213 0.059 . 1 . . . A 107 LEU CA . 18178 1 455 . 1 1 72 72 LEU CB C 13 46.228 0.005 . 1 . . . A 107 LEU CB . 18178 1 456 . 1 1 72 72 LEU CD1 C 13 26.505 0.043 . 1 . . . A 107 LEU CD1 . 18178 1 457 . 1 1 72 72 LEU N N 15 123.849 0.009 . 1 . . . A 107 LEU N . 18178 1 458 . 1 1 73 73 ASN H H 1 9.844 0.002 . 1 . . . A 108 ASN H . 18178 1 459 . 1 1 73 73 ASN C C 13 172.081 0.062 . 1 . . . A 108 ASN C . 18178 1 460 . 1 1 73 73 ASN CA C 13 51.790 0.059 . 1 . . . A 108 ASN CA . 18178 1 461 . 1 1 73 73 ASN CB C 13 41.416 0.034 . 1 . . . A 108 ASN CB . 18178 1 462 . 1 1 73 73 ASN N N 15 124.978 0.062 . 1 . . . A 108 ASN N . 18178 1 463 . 1 1 74 74 LEU H H 1 8.511 0.004 . 1 . . . A 109 LEU H . 18178 1 464 . 1 1 74 74 LEU HD11 H 1 0.449 0.006 . 1 . . . A 109 LEU HD11 . 18178 1 465 . 1 1 74 74 LEU HD12 H 1 0.449 0.006 . 1 . . . A 109 LEU HD12 . 18178 1 466 . 1 1 74 74 LEU HD13 H 1 0.449 0.006 . 1 . . . A 109 LEU HD13 . 18178 1 467 . 1 1 74 74 LEU HD21 H 1 0.881 0.005 . 1 . . . A 109 LEU HD21 . 18178 1 468 . 1 1 74 74 LEU HD22 H 1 0.881 0.005 . 1 . . . A 109 LEU HD22 . 18178 1 469 . 1 1 74 74 LEU HD23 H 1 0.881 0.005 . 1 . . . A 109 LEU HD23 . 18178 1 470 . 1 1 74 74 LEU C C 13 175.859 0.004 . 1 . . . A 109 LEU C . 18178 1 471 . 1 1 74 74 LEU CA C 13 52.919 0.071 . 1 . . . A 109 LEU CA . 18178 1 472 . 1 1 74 74 LEU CB C 13 46.467 0.002 . 1 . . . A 109 LEU CB . 18178 1 473 . 1 1 74 74 LEU CD1 C 13 26.880 0.018 . 1 . . . A 109 LEU CD1 . 18178 1 474 . 1 1 74 74 LEU CD2 C 13 24.018 0.071 . 1 . . . A 109 LEU CD2 . 18178 1 475 . 1 1 74 74 LEU N N 15 121.862 0.101 . 1 . . . A 109 LEU N . 18178 1 476 . 1 1 75 75 VAL H H 1 8.681 0.007 . 1 . . . A 110 VAL H . 18178 1 477 . 1 1 75 75 VAL HG11 H 1 0.075 0.004 . 1 . . . A 110 VAL HG11 . 18178 1 478 . 1 1 75 75 VAL HG12 H 1 0.075 0.004 . 1 . . . A 110 VAL HG12 . 18178 1 479 . 1 1 75 75 VAL HG13 H 1 0.075 0.004 . 1 . . . A 110 VAL HG13 . 18178 1 480 . 1 1 75 75 VAL HG21 H 1 0.769 0.003 . 1 . . . A 110 VAL HG21 . 18178 1 481 . 1 1 75 75 VAL HG22 H 1 0.769 0.003 . 1 . . . A 110 VAL HG22 . 18178 1 482 . 1 1 75 75 VAL HG23 H 1 0.769 0.003 . 1 . . . A 110 VAL HG23 . 18178 1 483 . 1 1 75 75 VAL C C 13 175.323 0.048 . 1 . . . A 110 VAL C . 18178 1 484 . 1 1 75 75 VAL CA C 13 58.659 0.021 . 1 . . . A 110 VAL CA . 18178 1 485 . 1 1 75 75 VAL CB C 13 30.253 0.028 . 1 . . . A 110 VAL CB . 18178 1 486 . 1 1 75 75 VAL CG1 C 13 19.830 0.048 . 1 . . . A 110 VAL CG1 . 18178 1 487 . 1 1 75 75 VAL CG2 C 13 18.390 0.046 . 1 . . . A 110 VAL CG2 . 18178 1 488 . 1 1 75 75 VAL N N 15 111.424 0.063 . 1 . . . A 110 VAL N . 18178 1 489 . 1 1 76 76 TYR H H 1 7.200 0.003 . 1 . . . A 111 TYR H . 18178 1 490 . 1 1 76 76 TYR C C 13 174.858 0.024 . 1 . . . A 111 TYR C . 18178 1 491 . 1 1 76 76 TYR CA C 13 57.160 0.024 . 1 . . . A 111 TYR CA . 18178 1 492 . 1 1 76 76 TYR CB C 13 41.452 0.019 . 1 . . . A 111 TYR CB . 18178 1 493 . 1 1 76 76 TYR N N 15 124.309 0.052 . 1 . . . A 111 TYR N . 18178 1 494 . 1 1 77 77 GLU H H 1 7.321 0.003 . 1 . . . A 112 GLU H . 18178 1 495 . 1 1 77 77 GLU C C 13 178.110 0.000 . 1 . . . A 112 GLU C . 18178 1 496 . 1 1 77 77 GLU CA C 13 57.273 0.009 . 1 . . . A 112 GLU CA . 18178 1 497 . 1 1 77 77 GLU CB C 13 28.812 0.000 . 1 . . . A 112 GLU CB . 18178 1 498 . 1 1 77 77 GLU N N 15 125.982 0.059 . 1 . . . A 112 GLU N . 18178 1 499 . 1 1 78 78 THR H H 1 8.256 0.002 . 1 . . . A 113 THR H . 18178 1 500 . 1 1 78 78 THR C C 13 175.758 0.000 . 1 . . . A 113 THR C . 18178 1 501 . 1 1 78 78 THR CA C 13 61.621 0.000 . 1 . . . A 113 THR CA . 18178 1 502 . 1 1 78 78 THR CB C 13 70.448 0.000 . 1 . . . A 113 THR CB . 18178 1 503 . 1 1 78 78 THR N N 15 117.894 0.004 . 1 . . . A 113 THR N . 18178 1 504 . 1 1 79 79 THR H H 1 8.435 0.002 . 1 . . . A 114 THR H . 18178 1 505 . 1 1 79 79 THR C C 13 174.674 0.000 . 1 . . . A 114 THR C . 18178 1 506 . 1 1 79 79 THR CA C 13 60.840 0.057 . 1 . . . A 114 THR CA . 18178 1 507 . 1 1 79 79 THR CB C 13 68.228 0.057 . 1 . . . A 114 THR CB . 18178 1 508 . 1 1 79 79 THR N N 15 107.131 0.069 . 1 . . . A 114 THR N . 18178 1 509 . 1 1 80 80 ASP H H 1 7.846 0.003 . 1 . . . A 115 ASP H . 18178 1 510 . 1 1 80 80 ASP C C 13 178.268 0.016 . 1 . . . A 115 ASP C . 18178 1 511 . 1 1 80 80 ASP CA C 13 52.811 0.047 . 1 . . . A 115 ASP CA . 18178 1 512 . 1 1 80 80 ASP CB C 13 40.720 0.024 . 1 . . . A 115 ASP CB . 18178 1 513 . 1 1 80 80 ASP N N 15 121.256 0.049 . 1 . . . A 115 ASP N . 18178 1 514 . 1 1 81 81 LYS H H 1 8.800 0.009 . 1 . . . A 116 LYS H . 18178 1 515 . 1 1 81 81 LYS C C 13 179.359 0.016 . 1 . . . A 116 LYS C . 18178 1 516 . 1 1 81 81 LYS CA C 13 57.462 0.049 . 1 . . . A 116 LYS CA . 18178 1 517 . 1 1 81 81 LYS CB C 13 30.250 0.000 . 1 . . . A 116 LYS CB . 18178 1 518 . 1 1 81 81 LYS N N 15 128.564 0.057 . 1 . . . A 116 LYS N . 18178 1 519 . 1 1 82 82 HIS H H 1 8.702 0.007 . 1 . . . A 117 HIS H . 18178 1 520 . 1 1 82 82 HIS C C 13 176.206 0.029 . 1 . . . A 117 HIS C . 18178 1 521 . 1 1 82 82 HIS CA C 13 57.529 0.053 . 1 . . . A 117 HIS CA . 18178 1 522 . 1 1 82 82 HIS CB C 13 27.280 0.004 . 1 . . . A 117 HIS CB . 18178 1 523 . 1 1 82 82 HIS N N 15 117.867 0.178 . 1 . . . A 117 HIS N . 18178 1 524 . 1 1 83 83 LEU H H 1 7.306 0.005 . 1 . . . A 118 LEU H . 18178 1 525 . 1 1 83 83 LEU HD11 H 1 0.510 0.010 . 1 . . . A 118 LEU HD11 . 18178 1 526 . 1 1 83 83 LEU HD12 H 1 0.510 0.010 . 1 . . . A 118 LEU HD12 . 18178 1 527 . 1 1 83 83 LEU HD13 H 1 0.510 0.010 . 1 . . . A 118 LEU HD13 . 18178 1 528 . 1 1 83 83 LEU HD21 H 1 0.550 0.009 . 1 . . . A 118 LEU HD21 . 18178 1 529 . 1 1 83 83 LEU HD22 H 1 0.550 0.009 . 1 . . . A 118 LEU HD22 . 18178 1 530 . 1 1 83 83 LEU HD23 H 1 0.550 0.009 . 1 . . . A 118 LEU HD23 . 18178 1 531 . 1 1 83 83 LEU C C 13 176.369 0.008 . 1 . . . A 118 LEU C . 18178 1 532 . 1 1 83 83 LEU CA C 13 53.560 0.022 . 1 . . . A 118 LEU CA . 18178 1 533 . 1 1 83 83 LEU CB C 13 40.759 0.025 . 1 . . . A 118 LEU CB . 18178 1 534 . 1 1 83 83 LEU CG C 13 26.166 0.000 . 1 . . . A 118 LEU CG . 18178 1 535 . 1 1 83 83 LEU CD1 C 13 26.138 0.017 . 1 . . . A 118 LEU CD1 . 18178 1 536 . 1 1 83 83 LEU CD2 C 13 23.708 0.025 . 1 . . . A 118 LEU CD2 . 18178 1 537 . 1 1 83 83 LEU N N 15 113.534 0.056 . 1 . . . A 118 LEU N . 18178 1 538 . 1 1 84 84 SER H H 1 7.252 0.005 . 1 . . . A 119 SER H . 18178 1 539 . 1 1 84 84 SER C C 13 174.190 0.000 . 1 . . . A 119 SER C . 18178 1 540 . 1 1 84 84 SER CA C 13 55.128 0.031 . 1 . . . A 119 SER CA . 18178 1 541 . 1 1 84 84 SER CB C 13 61.634 0.000 . 1 . . . A 119 SER CB . 18178 1 542 . 1 1 84 84 SER N N 15 111.737 0.057 . 1 . . . A 119 SER N . 18178 1 543 . 1 1 85 85 PRO C C 13 178.288 0.000 . 1 . . . A 120 PRO C . 18178 1 544 . 1 1 85 85 PRO CA C 13 64.797 0.025 . 1 . . . A 120 PRO CA . 18178 1 545 . 1 1 85 85 PRO CB C 13 31.183 0.057 . 1 . . . A 120 PRO CB . 18178 1 546 . 1 1 86 86 ASP H H 1 8.883 0.003 . 1 . . . A 121 ASP H . 18178 1 547 . 1 1 86 86 ASP C C 13 175.037 0.031 . 1 . . . A 121 ASP C . 18178 1 548 . 1 1 86 86 ASP CA C 13 51.638 0.073 . 1 . . . A 121 ASP CA . 18178 1 549 . 1 1 86 86 ASP CB C 13 39.655 0.011 . 1 . . . A 121 ASP CB . 18178 1 550 . 1 1 86 86 ASP N N 15 117.572 0.044 . 1 . . . A 121 ASP N . 18178 1 551 . 1 1 87 87 GLY H H 1 6.948 0.003 . 1 . . . A 122 GLY H . 18178 1 552 . 1 1 87 87 GLY C C 13 173.695 0.026 . 1 . . . A 122 GLY C . 18178 1 553 . 1 1 87 87 GLY CA C 13 43.375 0.028 . 1 . . . A 122 GLY CA . 18178 1 554 . 1 1 87 87 GLY N N 15 106.669 0.056 . 1 . . . A 122 GLY N . 18178 1 555 . 1 1 88 88 GLN H H 1 8.203 0.002 . 1 . . . A 123 GLN H . 18178 1 556 . 1 1 88 88 GLN C C 13 174.512 0.025 . 1 . . . A 123 GLN C . 18178 1 557 . 1 1 88 88 GLN CA C 13 54.168 0.071 . 1 . . . A 123 GLN CA . 18178 1 558 . 1 1 88 88 GLN CB C 13 26.442 0.030 . 1 . . . A 123 GLN CB . 18178 1 559 . 1 1 88 88 GLN N N 15 118.297 0.045 . 1 . . . A 123 GLN N . 18178 1 560 . 1 1 89 89 TYR H H 1 5.919 0.004 . 1 . . . A 124 TYR H . 18178 1 561 . 1 1 89 89 TYR C C 13 173.676 0.021 . 1 . . . A 124 TYR C . 18178 1 562 . 1 1 89 89 TYR CA C 13 54.260 0.063 . 1 . . . A 124 TYR CA . 18178 1 563 . 1 1 89 89 TYR CB C 13 38.154 0.007 . 1 . . . A 124 TYR CB . 18178 1 564 . 1 1 89 89 TYR N N 15 117.012 0.056 . 1 . . . A 124 TYR N . 18178 1 565 . 1 1 90 90 VAL H H 1 8.276 0.005 . 1 . . . A 125 VAL H . 18178 1 566 . 1 1 90 90 VAL HG11 H 1 0.567 0.005 . 1 . . . A 125 VAL HG11 . 18178 1 567 . 1 1 90 90 VAL HG12 H 1 0.567 0.005 . 1 . . . A 125 VAL HG12 . 18178 1 568 . 1 1 90 90 VAL HG13 H 1 0.567 0.005 . 1 . . . A 125 VAL HG13 . 18178 1 569 . 1 1 90 90 VAL HG21 H 1 0.935 0.004 . 1 . . . A 125 VAL HG21 . 18178 1 570 . 1 1 90 90 VAL HG22 H 1 0.935 0.004 . 1 . . . A 125 VAL HG22 . 18178 1 571 . 1 1 90 90 VAL HG23 H 1 0.935 0.004 . 1 . . . A 125 VAL HG23 . 18178 1 572 . 1 1 90 90 VAL C C 13 173.584 0.000 . 1 . . . A 125 VAL C . 18178 1 573 . 1 1 90 90 VAL CA C 13 57.497 0.066 . 1 . . . A 125 VAL CA . 18178 1 574 . 1 1 90 90 VAL CB C 13 34.383 0.000 . 1 . . . A 125 VAL CB . 18178 1 575 . 1 1 90 90 VAL CG1 C 13 22.301 0.105 . 1 . . . A 125 VAL CG1 . 18178 1 576 . 1 1 90 90 VAL CG2 C 13 18.082 0.047 . 1 . . . A 125 VAL CG2 . 18178 1 577 . 1 1 90 90 VAL N N 15 109.046 0.056 . 1 . . . A 125 VAL N . 18178 1 578 . 1 1 91 91 PRO C C 13 176.439 0.000 . 1 . . . A 126 PRO C . 18178 1 579 . 1 1 91 91 PRO CA C 13 61.711 0.018 . 1 . . . A 126 PRO CA . 18178 1 580 . 1 1 91 91 PRO CB C 13 33.249 0.000 . 1 . . . A 126 PRO CB . 18178 1 581 . 1 1 92 92 ARG H H 1 8.685 0.006 . 1 . . . A 127 ARG H . 18178 1 582 . 1 1 92 92 ARG C C 13 175.561 0.000 . 1 . . . A 127 ARG C . 18178 1 583 . 1 1 92 92 ARG CA C 13 55.356 0.000 . 1 . . . A 127 ARG CA . 18178 1 584 . 1 1 92 92 ARG CB C 13 31.219 0.000 . 1 . . . A 127 ARG CB . 18178 1 585 . 1 1 92 92 ARG N N 15 121.468 0.063 . 1 . . . A 127 ARG N . 18178 1 586 . 1 1 93 93 ILE H H 1 9.060 0.004 . 1 . . . A 128 ILE H . 18178 1 587 . 1 1 93 93 ILE HD11 H 1 0.764 0.004 . 1 . . . A 128 ILE HD11 . 18178 1 588 . 1 1 93 93 ILE HD12 H 1 0.764 0.004 . 1 . . . A 128 ILE HD12 . 18178 1 589 . 1 1 93 93 ILE HD13 H 1 0.764 0.004 . 1 . . . A 128 ILE HD13 . 18178 1 590 . 1 1 93 93 ILE C C 13 173.726 0.000 . 1 . . . A 128 ILE C . 18178 1 591 . 1 1 93 93 ILE CA C 13 60.669 0.000 . 1 . . . A 128 ILE CA . 18178 1 592 . 1 1 93 93 ILE CB C 13 37.976 0.000 . 1 . . . A 128 ILE CB . 18178 1 593 . 1 1 93 93 ILE CG1 C 13 26.042 0.000 . 1 . . . A 128 ILE CG1 . 18178 1 594 . 1 1 93 93 ILE CG2 C 13 16.559 0.000 . 1 . . . A 128 ILE CG2 . 18178 1 595 . 1 1 93 93 ILE CD1 C 13 12.833 0.075 . 1 . . . A 128 ILE CD1 . 18178 1 596 . 1 1 93 93 ILE N N 15 127.776 0.000 . 1 . . . A 128 ILE N . 18178 1 597 . 1 1 94 94 MET H H 1 8.513 0.004 . 1 . . . A 129 MET H . 18178 1 598 . 1 1 94 94 MET C C 13 174.465 0.000 . 1 . . . A 129 MET C . 18178 1 599 . 1 1 94 94 MET CA C 13 50.838 0.036 . 1 . . . A 129 MET CA . 18178 1 600 . 1 1 94 94 MET CB C 13 33.661 0.000 . 1 . . . A 129 MET CB . 18178 1 601 . 1 1 94 94 MET N N 15 122.209 0.039 . 1 . . . A 129 MET N . 18178 1 602 . 1 1 95 95 PHE H H 1 8.538 0.003 . 1 . . . A 130 PHE H . 18178 1 603 . 1 1 95 95 PHE C C 13 175.112 0.000 . 1 . . . A 130 PHE C . 18178 1 604 . 1 1 95 95 PHE CA C 13 55.976 0.023 . 1 . . . A 130 PHE CA . 18178 1 605 . 1 1 95 95 PHE CB C 13 41.078 0.035 . 1 . . . A 130 PHE CB . 18178 1 606 . 1 1 95 95 PHE N N 15 117.585 0.057 . 1 . . . A 130 PHE N . 18178 1 607 . 1 1 96 96 VAL H H 1 9.863 0.003 . 1 . . . A 131 VAL H . 18178 1 608 . 1 1 96 96 VAL HG11 H 1 0.807 0.007 . 1 . . . A 131 VAL HG11 . 18178 1 609 . 1 1 96 96 VAL HG12 H 1 0.807 0.007 . 1 . . . A 131 VAL HG12 . 18178 1 610 . 1 1 96 96 VAL HG13 H 1 0.807 0.007 . 1 . . . A 131 VAL HG13 . 18178 1 611 . 1 1 96 96 VAL HG21 H 1 0.838 0.006 . 1 . . . A 131 VAL HG21 . 18178 1 612 . 1 1 96 96 VAL HG22 H 1 0.838 0.006 . 1 . . . A 131 VAL HG22 . 18178 1 613 . 1 1 96 96 VAL HG23 H 1 0.838 0.006 . 1 . . . A 131 VAL HG23 . 18178 1 614 . 1 1 96 96 VAL C C 13 174.612 0.006 . 1 . . . A 131 VAL C . 18178 1 615 . 1 1 96 96 VAL CA C 13 60.865 0.049 . 1 . . . A 131 VAL CA . 18178 1 616 . 1 1 96 96 VAL CB C 13 34.108 0.009 . 1 . . . A 131 VAL CB . 18178 1 617 . 1 1 96 96 VAL CG1 C 13 20.057 0.033 . 1 . . . A 131 VAL CG1 . 18178 1 618 . 1 1 96 96 VAL CG2 C 13 21.931 0.071 . 1 . . . A 131 VAL CG2 . 18178 1 619 . 1 1 96 96 VAL N N 15 122.666 0.044 . 1 . . . A 131 VAL N . 18178 1 620 . 1 1 97 97 ASP H H 1 8.397 0.004 . 1 . . . A 132 ASP H . 18178 1 621 . 1 1 97 97 ASP C C 13 175.227 0.000 . 1 . . . A 132 ASP C . 18178 1 622 . 1 1 97 97 ASP CA C 13 52.633 0.032 . 1 . . . A 132 ASP CA . 18178 1 623 . 1 1 97 97 ASP CB C 13 44.823 0.000 . 1 . . . A 132 ASP CB . 18178 1 624 . 1 1 97 97 ASP N N 15 127.691 0.048 . 1 . . . A 132 ASP N . 18178 1 625 . 1 1 98 98 PRO C C 13 176.032 0.000 . 1 . . . A 133 PRO C . 18178 1 626 . 1 1 98 98 PRO CA C 13 64.753 0.052 . 1 . . . A 133 PRO CA . 18178 1 627 . 1 1 98 98 PRO CB C 13 31.155 0.039 . 1 . . . A 133 PRO CB . 18178 1 628 . 1 1 99 99 SER H H 1 8.161 0.002 . 1 . . . A 134 SER H . 18178 1 629 . 1 1 99 99 SER C C 13 175.632 0.000 . 1 . . . A 134 SER C . 18178 1 630 . 1 1 99 99 SER CA C 13 59.832 0.016 . 1 . . . A 134 SER CA . 18178 1 631 . 1 1 99 99 SER CB C 13 63.762 0.010 . 1 . . . A 134 SER CB . 18178 1 632 . 1 1 99 99 SER N N 15 110.967 0.045 . 1 . . . A 134 SER N . 18178 1 633 . 1 1 100 100 LEU H H 1 9.193 0.006 . 1 . . . A 135 LEU H . 18178 1 634 . 1 1 100 100 LEU HD11 H 1 0.798 0.004 . 1 . . . A 135 LEU HD11 . 18178 1 635 . 1 1 100 100 LEU HD12 H 1 0.798 0.004 . 1 . . . A 135 LEU HD12 . 18178 1 636 . 1 1 100 100 LEU HD13 H 1 0.798 0.004 . 1 . . . A 135 LEU HD13 . 18178 1 637 . 1 1 100 100 LEU HD21 H 1 0.820 0.006 . 1 . . . A 135 LEU HD21 . 18178 1 638 . 1 1 100 100 LEU HD22 H 1 0.820 0.006 . 1 . . . A 135 LEU HD22 . 18178 1 639 . 1 1 100 100 LEU HD23 H 1 0.820 0.006 . 1 . . . A 135 LEU HD23 . 18178 1 640 . 1 1 100 100 LEU C C 13 176.198 0.012 . 1 . . . A 135 LEU C . 18178 1 641 . 1 1 100 100 LEU CA C 13 56.074 0.028 . 1 . . . A 135 LEU CA . 18178 1 642 . 1 1 100 100 LEU CB C 13 35.932 0.008 . 1 . . . A 135 LEU CB . 18178 1 643 . 1 1 100 100 LEU CD1 C 13 22.519 0.046 . 1 . . . A 135 LEU CD1 . 18178 1 644 . 1 1 100 100 LEU CD2 C 13 25.557 0.141 . 1 . . . A 135 LEU CD2 . 18178 1 645 . 1 1 100 100 LEU N N 15 118.152 0.048 . 1 . . . A 135 LEU N . 18178 1 646 . 1 1 101 101 THR H H 1 6.989 0.007 . 1 . . . A 136 THR H . 18178 1 647 . 1 1 101 101 THR C C 13 174.057 0.034 . 1 . . . A 136 THR C . 18178 1 648 . 1 1 101 101 THR CA C 13 61.580 0.030 . 1 . . . A 136 THR CA . 18178 1 649 . 1 1 101 101 THR CB C 13 69.849 0.039 . 1 . . . A 136 THR CB . 18178 1 650 . 1 1 101 101 THR N N 15 115.651 0.060 . 1 . . . A 136 THR N . 18178 1 651 . 1 1 102 102 VAL H H 1 8.994 0.005 . 1 . . . A 137 VAL H . 18178 1 652 . 1 1 102 102 VAL HG11 H 1 0.763 0.004 . 1 . . . A 137 VAL HG11 . 18178 1 653 . 1 1 102 102 VAL HG12 H 1 0.763 0.004 . 1 . . . A 137 VAL HG12 . 18178 1 654 . 1 1 102 102 VAL HG13 H 1 0.763 0.004 . 1 . . . A 137 VAL HG13 . 18178 1 655 . 1 1 102 102 VAL HG21 H 1 0.881 0.006 . 1 . . . A 137 VAL HG21 . 18178 1 656 . 1 1 102 102 VAL HG22 H 1 0.881 0.006 . 1 . . . A 137 VAL HG22 . 18178 1 657 . 1 1 102 102 VAL HG23 H 1 0.881 0.006 . 1 . . . A 137 VAL HG23 . 18178 1 658 . 1 1 102 102 VAL C C 13 177.458 0.023 . 1 . . . A 137 VAL C . 18178 1 659 . 1 1 102 102 VAL CA C 13 63.625 0.055 . 1 . . . A 137 VAL CA . 18178 1 660 . 1 1 102 102 VAL CB C 13 30.951 0.033 . 1 . . . A 137 VAL CB . 18178 1 661 . 1 1 102 102 VAL CG1 C 13 20.031 0.012 . 1 . . . A 137 VAL CG1 . 18178 1 662 . 1 1 102 102 VAL CG2 C 13 22.379 0.043 . 1 . . . A 137 VAL CG2 . 18178 1 663 . 1 1 102 102 VAL N N 15 128.649 0.056 . 1 . . . A 137 VAL N . 18178 1 664 . 1 1 103 103 ARG H H 1 9.367 0.007 . 1 . . . A 138 ARG H . 18178 1 665 . 1 1 103 103 ARG C C 13 177.685 0.000 . 1 . . . A 138 ARG C . 18178 1 666 . 1 1 103 103 ARG CA C 13 50.447 0.054 . 1 . . . A 138 ARG CA . 18178 1 667 . 1 1 103 103 ARG CB C 13 24.188 0.005 . 1 . . . A 138 ARG CB . 18178 1 668 . 1 1 103 103 ARG N N 15 128.197 0.042 . 1 . . . A 138 ARG N . 18178 1 669 . 1 1 104 104 ALA H H 1 8.318 0.004 . 1 . . . A 139 ALA H . 18178 1 670 . 1 1 104 104 ALA C C 13 177.749 0.000 . 1 . . . A 139 ALA C . 18178 1 671 . 1 1 104 104 ALA CA C 13 53.022 0.067 . 1 . . . A 139 ALA CA . 18178 1 672 . 1 1 104 104 ALA CB C 13 17.265 0.018 . 1 . . . A 139 ALA CB . 18178 1 673 . 1 1 104 104 ALA N N 15 130.271 0.056 . 1 . . . A 139 ALA N . 18178 1 674 . 1 1 105 105 ASP H H 1 9.629 0.003 . 1 . . . A 140 ASP H . 18178 1 675 . 1 1 105 105 ASP C C 13 175.448 0.035 . 1 . . . A 140 ASP C . 18178 1 676 . 1 1 105 105 ASP CA C 13 53.735 0.033 . 1 . . . A 140 ASP CA . 18178 1 677 . 1 1 105 105 ASP CB C 13 38.561 0.018 . 1 . . . A 140 ASP CB . 18178 1 678 . 1 1 105 105 ASP N N 15 113.430 0.057 . 1 . . . A 140 ASP N . 18178 1 679 . 1 1 106 106 ILE H H 1 7.527 0.003 . 1 . . . A 141 ILE H . 18178 1 680 . 1 1 106 106 ILE HD11 H 1 0.454 0.005 . 1 . . . A 141 ILE HD11 . 18178 1 681 . 1 1 106 106 ILE HD12 H 1 0.454 0.005 . 1 . . . A 141 ILE HD12 . 18178 1 682 . 1 1 106 106 ILE HD13 H 1 0.454 0.005 . 1 . . . A 141 ILE HD13 . 18178 1 683 . 1 1 106 106 ILE C C 13 175.076 0.020 . 1 . . . A 141 ILE C . 18178 1 684 . 1 1 106 106 ILE CA C 13 62.021 0.017 . 1 . . . A 141 ILE CA . 18178 1 685 . 1 1 106 106 ILE CB C 13 35.194 0.012 . 1 . . . A 141 ILE CB . 18178 1 686 . 1 1 106 106 ILE CG1 C 13 26.153 0.000 . 1 . . . A 141 ILE CG1 . 18178 1 687 . 1 1 106 106 ILE CG2 C 13 18.361 0.000 . 1 . . . A 141 ILE CG2 . 18178 1 688 . 1 1 106 106 ILE CD1 C 13 12.453 0.059 . 1 . . . A 141 ILE CD1 . 18178 1 689 . 1 1 106 106 ILE N N 15 122.759 0.059 . 1 . . . A 141 ILE N . 18178 1 690 . 1 1 107 107 THR H H 1 7.794 0.010 . 1 . . . A 142 THR H . 18178 1 691 . 1 1 107 107 THR C C 13 176.229 0.027 . 1 . . . A 142 THR C . 18178 1 692 . 1 1 107 107 THR CA C 13 58.802 0.027 . 1 . . . A 142 THR CA . 18178 1 693 . 1 1 107 107 THR CB C 13 71.240 0.033 . 1 . . . A 142 THR CB . 18178 1 694 . 1 1 107 107 THR N N 15 117.199 0.064 . 1 . . . A 142 THR N . 18178 1 695 . 1 1 108 108 GLY H H 1 8.879 0.004 . 1 . . . A 143 GLY H . 18178 1 696 . 1 1 108 108 GLY C C 13 174.709 0.035 . 1 . . . A 143 GLY C . 18178 1 697 . 1 1 108 108 GLY CA C 13 43.792 0.022 . 1 . . . A 143 GLY CA . 18178 1 698 . 1 1 108 108 GLY N N 15 109.586 0.047 . 1 . . . A 143 GLY N . 18178 1 699 . 1 1 109 109 ARG H H 1 8.132 0.006 . 1 . . . A 144 ARG H . 18178 1 700 . 1 1 109 109 ARG C C 13 176.906 0.018 . 1 . . . A 144 ARG C . 18178 1 701 . 1 1 109 109 ARG CA C 13 55.626 0.061 . 1 . . . A 144 ARG CA . 18178 1 702 . 1 1 109 109 ARG CB C 13 29.907 0.028 . 1 . . . A 144 ARG CB . 18178 1 703 . 1 1 109 109 ARG N N 15 116.047 0.055 . 1 . . . A 144 ARG N . 18178 1 704 . 1 1 110 110 TYR H H 1 8.827 0.003 . 1 . . . A 145 TYR H . 18178 1 705 . 1 1 110 110 TYR C C 13 177.027 0.000 . 1 . . . A 145 TYR C . 18178 1 706 . 1 1 110 110 TYR CA C 13 56.834 0.073 . 1 . . . A 145 TYR CA . 18178 1 707 . 1 1 110 110 TYR CB C 13 36.495 0.025 . 1 . . . A 145 TYR CB . 18178 1 708 . 1 1 110 110 TYR N N 15 122.752 0.060 . 1 . . . A 145 TYR N . 18178 1 709 . 1 1 111 111 SER H H 1 8.598 0.005 . 1 . . . A 146 SER H . 18178 1 710 . 1 1 111 111 SER C C 13 175.287 0.000 . 1 . . . A 146 SER C . 18178 1 711 . 1 1 111 111 SER CA C 13 60.280 0.040 . 1 . . . A 146 SER CA . 18178 1 712 . 1 1 111 111 SER CB C 13 62.075 0.005 . 1 . . . A 146 SER CB . 18178 1 713 . 1 1 111 111 SER N N 15 119.780 0.057 . 1 . . . A 146 SER N . 18178 1 714 . 1 1 112 112 ASN H H 1 8.356 0.002 . 1 . . . A 147 ASN H . 18178 1 715 . 1 1 112 112 ASN HD21 H 1 7.502 0.002 . 1 . . . A 147 ASN HD21 . 18178 1 716 . 1 1 112 112 ASN HD22 H 1 6.708 0.004 . 1 . . . A 147 ASN HD22 . 18178 1 717 . 1 1 112 112 ASN C C 13 173.978 0.034 . 1 . . . A 147 ASN C . 18178 1 718 . 1 1 112 112 ASN CA C 13 52.888 0.062 . 1 . . . A 147 ASN CA . 18178 1 719 . 1 1 112 112 ASN CB C 13 36.874 0.018 . 1 . . . A 147 ASN CB . 18178 1 720 . 1 1 112 112 ASN CG C 13 178.076 0.019 . 1 . . . A 147 ASN CG . 18178 1 721 . 1 1 112 112 ASN N N 15 115.945 0.045 . 1 . . . A 147 ASN N . 18178 1 722 . 1 1 112 112 ASN ND2 N 15 113.017 0.141 . 1 . . . A 147 ASN ND2 . 18178 1 723 . 1 1 113 113 ARG H H 1 6.738 0.005 . 1 . . . A 148 ARG H . 18178 1 724 . 1 1 113 113 ARG C C 13 176.648 0.014 . 1 . . . A 148 ARG C . 18178 1 725 . 1 1 113 113 ARG CA C 13 54.805 0.010 . 1 . . . A 148 ARG CA . 18178 1 726 . 1 1 113 113 ARG CB C 13 29.903 0.008 . 1 . . . A 148 ARG CB . 18178 1 727 . 1 1 113 113 ARG N N 15 121.457 0.049 . 1 . . . A 148 ARG N . 18178 1 728 . 1 1 114 114 LEU H H 1 9.922 0.009 . 1 . . . A 149 LEU H . 18178 1 729 . 1 1 114 114 LEU HD11 H 1 0.668 0.008 . 1 . . . A 149 LEU HD11 . 18178 1 730 . 1 1 114 114 LEU HD12 H 1 0.668 0.008 . 1 . . . A 149 LEU HD12 . 18178 1 731 . 1 1 114 114 LEU HD13 H 1 0.668 0.008 . 1 . . . A 149 LEU HD13 . 18178 1 732 . 1 1 114 114 LEU HD21 H 1 0.708 0.007 . 1 . . . A 149 LEU HD21 . 18178 1 733 . 1 1 114 114 LEU HD22 H 1 0.708 0.007 . 1 . . . A 149 LEU HD22 . 18178 1 734 . 1 1 114 114 LEU HD23 H 1 0.708 0.007 . 1 . . . A 149 LEU HD23 . 18178 1 735 . 1 1 114 114 LEU C C 13 176.112 0.022 . 1 . . . A 149 LEU C . 18178 1 736 . 1 1 114 114 LEU CA C 13 57.150 0.040 . 1 . . . A 149 LEU CA . 18178 1 737 . 1 1 114 114 LEU CB C 13 42.097 0.027 . 1 . . . A 149 LEU CB . 18178 1 738 . 1 1 114 114 LEU CD1 C 13 22.980 0.024 . 1 . . . A 149 LEU CD1 . 18178 1 739 . 1 1 114 114 LEU CD2 C 13 25.534 0.078 . 1 . . . A 149 LEU CD2 . 18178 1 740 . 1 1 114 114 LEU N N 15 125.677 0.054 . 1 . . . A 149 LEU N . 18178 1 741 . 1 1 115 115 TYR H H 1 8.258 0.003 . 1 . . . A 150 TYR H . 18178 1 742 . 1 1 115 115 TYR C C 13 174.825 0.022 . 1 . . . A 150 TYR C . 18178 1 743 . 1 1 115 115 TYR CA C 13 55.560 0.075 . 1 . . . A 150 TYR CA . 18178 1 744 . 1 1 115 115 TYR CB C 13 37.965 0.009 . 1 . . . A 150 TYR CB . 18178 1 745 . 1 1 115 115 TYR N N 15 115.012 0.049 . 1 . . . A 150 TYR N . 18178 1 746 . 1 1 116 116 ALA H H 1 7.482 0.004 . 1 . . . A 151 ALA H . 18178 1 747 . 1 1 116 116 ALA C C 13 177.864 0.019 . 1 . . . A 151 ALA C . 18178 1 748 . 1 1 116 116 ALA CA C 13 51.129 0.043 . 1 . . . A 151 ALA CA . 18178 1 749 . 1 1 116 116 ALA CB C 13 20.351 0.012 . 1 . . . A 151 ALA CB . 18178 1 750 . 1 1 116 116 ALA N N 15 121.080 0.052 . 1 . . . A 151 ALA N . 18178 1 751 . 1 1 117 117 TYR H H 1 6.857 0.008 . 1 . . . A 152 TYR H . 18178 1 752 . 1 1 117 117 TYR C C 13 174.050 0.034 . 1 . . . A 152 TYR C . 18178 1 753 . 1 1 117 117 TYR CA C 13 57.671 0.020 . 1 . . . A 152 TYR CA . 18178 1 754 . 1 1 117 117 TYR CB C 13 41.937 0.010 . 1 . . . A 152 TYR CB . 18178 1 755 . 1 1 117 117 TYR N N 15 115.067 0.060 . 1 . . . A 152 TYR N . 18178 1 756 . 1 1 118 118 GLU H H 1 9.536 0.006 . 1 . . . A 153 GLU H . 18178 1 757 . 1 1 118 118 GLU C C 13 176.201 0.000 . 1 . . . A 153 GLU C . 18178 1 758 . 1 1 118 118 GLU CA C 13 53.729 0.024 . 1 . . . A 153 GLU CA . 18178 1 759 . 1 1 118 118 GLU CB C 13 28.636 0.000 . 1 . . . A 153 GLU CB . 18178 1 760 . 1 1 118 118 GLU N N 15 122.450 0.053 . 1 . . . A 153 GLU N . 18178 1 761 . 1 1 119 119 PRO C C 13 176.899 0.005 . 1 . . . A 154 PRO C . 18178 1 762 . 1 1 119 119 PRO CA C 13 65.756 0.037 . 1 . . . A 154 PRO CA . 18178 1 763 . 1 1 119 119 PRO CB C 13 30.755 0.018 . 1 . . . A 154 PRO CB . 18178 1 764 . 1 1 120 120 ALA H H 1 7.732 0.005 . 1 . . . A 155 ALA H . 18178 1 765 . 1 1 120 120 ALA C C 13 178.871 0.011 . 1 . . . A 155 ALA C . 18178 1 766 . 1 1 120 120 ALA CA C 13 52.672 0.052 . 1 . . . A 155 ALA CA . 18178 1 767 . 1 1 120 120 ALA CB C 13 17.901 0.018 . 1 . . . A 155 ALA CB . 18178 1 768 . 1 1 120 120 ALA N N 15 114.498 0.036 . 1 . . . A 155 ALA N . 18178 1 769 . 1 1 121 121 ASP H H 1 8.502 0.002 . 1 . . . A 156 ASP H . 18178 1 770 . 1 1 121 121 ASP C C 13 177.113 0.018 . 1 . . . A 156 ASP C . 18178 1 771 . 1 1 121 121 ASP CA C 13 54.375 0.057 . 1 . . . A 156 ASP CA . 18178 1 772 . 1 1 121 121 ASP CB C 13 41.607 0.003 . 1 . . . A 156 ASP CB . 18178 1 773 . 1 1 121 121 ASP N N 15 117.305 0.057 . 1 . . . A 156 ASP N . 18178 1 774 . 1 1 122 122 THR H H 1 7.417 0.004 . 1 . . . A 157 THR H . 18178 1 775 . 1 1 122 122 THR C C 13 176.398 0.000 . 1 . . . A 157 THR C . 18178 1 776 . 1 1 122 122 THR CA C 13 66.146 0.040 . 1 . . . A 157 THR CA . 18178 1 777 . 1 1 122 122 THR CB C 13 67.291 0.014 . 1 . . . A 157 THR CB . 18178 1 778 . 1 1 122 122 THR N N 15 111.209 0.043 . 1 . . . A 157 THR N . 18178 1 779 . 1 1 123 123 ALA H H 1 8.625 0.003 . 1 . . . A 158 ALA H . 18178 1 780 . 1 1 123 123 ALA C C 13 180.369 0.018 . 1 . . . A 158 ALA C . 18178 1 781 . 1 1 123 123 ALA CA C 13 55.003 0.022 . 1 . . . A 158 ALA CA . 18178 1 782 . 1 1 123 123 ALA CB C 13 16.650 0.027 . 1 . . . A 158 ALA CB . 18178 1 783 . 1 1 123 123 ALA N N 15 123.521 0.057 . 1 . . . A 158 ALA N . 18178 1 784 . 1 1 124 124 LEU H H 1 7.431 0.007 . 1 . . . A 159 LEU H . 18178 1 785 . 1 1 124 124 LEU HD11 H 1 0.888 0.004 . 1 . . . A 159 LEU HD11 . 18178 1 786 . 1 1 124 124 LEU HD12 H 1 0.888 0.004 . 1 . . . A 159 LEU HD12 . 18178 1 787 . 1 1 124 124 LEU HD13 H 1 0.888 0.004 . 1 . . . A 159 LEU HD13 . 18178 1 788 . 1 1 124 124 LEU HD21 H 1 0.948 0.011 . 1 . . . A 159 LEU HD21 . 18178 1 789 . 1 1 124 124 LEU HD22 H 1 0.948 0.011 . 1 . . . A 159 LEU HD22 . 18178 1 790 . 1 1 124 124 LEU HD23 H 1 0.948 0.011 . 1 . . . A 159 LEU HD23 . 18178 1 791 . 1 1 124 124 LEU C C 13 178.678 0.032 . 1 . . . A 159 LEU C . 18178 1 792 . 1 1 124 124 LEU CA C 13 56.880 0.062 . 1 . . . A 159 LEU CA . 18178 1 793 . 1 1 124 124 LEU CB C 13 40.857 0.000 . 1 . . . A 159 LEU CB . 18178 1 794 . 1 1 124 124 LEU CD1 C 13 26.428 0.081 . 1 . . . A 159 LEU CD1 . 18178 1 795 . 1 1 124 124 LEU CD2 C 13 23.563 0.022 . 1 . . . A 159 LEU CD2 . 18178 1 796 . 1 1 124 124 LEU N N 15 121.062 0.050 . 1 . . . A 159 LEU N . 18178 1 797 . 1 1 125 125 LEU H H 1 8.436 0.008 . 1 . . . A 160 LEU H . 18178 1 798 . 1 1 125 125 LEU HD11 H 1 0.442 0.006 . 1 . . . A 160 LEU HD11 . 18178 1 799 . 1 1 125 125 LEU HD12 H 1 0.442 0.006 . 1 . . . A 160 LEU HD12 . 18178 1 800 . 1 1 125 125 LEU HD13 H 1 0.442 0.006 . 1 . . . A 160 LEU HD13 . 18178 1 801 . 1 1 125 125 LEU HD21 H 1 0.686 0.012 . 1 . . . A 160 LEU HD21 . 18178 1 802 . 1 1 125 125 LEU HD22 H 1 0.686 0.012 . 1 . . . A 160 LEU HD22 . 18178 1 803 . 1 1 125 125 LEU HD23 H 1 0.686 0.012 . 1 . . . A 160 LEU HD23 . 18178 1 804 . 1 1 125 125 LEU C C 13 178.508 0.016 . 1 . . . A 160 LEU C . 18178 1 805 . 1 1 125 125 LEU CA C 13 57.947 0.030 . 1 . . . A 160 LEU CA . 18178 1 806 . 1 1 125 125 LEU CB C 13 39.786 0.058 . 1 . . . A 160 LEU CB . 18178 1 807 . 1 1 125 125 LEU CD1 C 13 21.622 0.054 . 1 . . . A 160 LEU CD1 . 18178 1 808 . 1 1 125 125 LEU CD2 C 13 25.453 0.166 . 1 . . . A 160 LEU CD2 . 18178 1 809 . 1 1 125 125 LEU N N 15 119.561 0.077 . 1 . . . A 160 LEU N . 18178 1 810 . 1 1 126 126 LEU H H 1 8.101 0.004 . 1 . . . A 161 LEU H . 18178 1 811 . 1 1 126 126 LEU HD11 H 1 0.771 0.004 . 1 . . . A 161 LEU HD11 . 18178 1 812 . 1 1 126 126 LEU HD12 H 1 0.771 0.004 . 1 . . . A 161 LEU HD12 . 18178 1 813 . 1 1 126 126 LEU HD13 H 1 0.771 0.004 . 1 . . . A 161 LEU HD13 . 18178 1 814 . 1 1 126 126 LEU HD21 H 1 0.769 0.004 . 1 . . . A 161 LEU HD21 . 18178 1 815 . 1 1 126 126 LEU HD22 H 1 0.769 0.004 . 1 . . . A 161 LEU HD22 . 18178 1 816 . 1 1 126 126 LEU HD23 H 1 0.769 0.004 . 1 . . . A 161 LEU HD23 . 18178 1 817 . 1 1 126 126 LEU C C 13 179.246 0.008 . 1 . . . A 161 LEU C . 18178 1 818 . 1 1 126 126 LEU CA C 13 57.917 0.091 . 1 . . . A 161 LEU CA . 18178 1 819 . 1 1 126 126 LEU CB C 13 41.010 0.050 . 1 . . . A 161 LEU CB . 18178 1 820 . 1 1 126 126 LEU CD1 C 13 25.281 0.050 . 1 . . . A 161 LEU CD1 . 18178 1 821 . 1 1 126 126 LEU CD2 C 13 24.660 0.059 . 1 . . . A 161 LEU CD2 . 18178 1 822 . 1 1 126 126 LEU N N 15 119.747 0.044 . 1 . . . A 161 LEU N . 18178 1 823 . 1 1 127 127 ASP H H 1 7.865 0.002 . 1 . . . A 162 ASP H . 18178 1 824 . 1 1 127 127 ASP C C 13 179.621 0.046 . 1 . . . A 162 ASP C . 18178 1 825 . 1 1 127 127 ASP CA C 13 57.219 0.024 . 1 . . . A 162 ASP CA . 18178 1 826 . 1 1 127 127 ASP CB C 13 39.870 0.016 . 1 . . . A 162 ASP CB . 18178 1 827 . 1 1 127 127 ASP N N 15 118.731 0.041 . 1 . . . A 162 ASP N . 18178 1 828 . 1 1 128 128 ASN H H 1 8.714 0.006 . 1 . . . A 163 ASN H . 18178 1 829 . 1 1 128 128 ASN HD21 H 1 7.970 0.002 . 1 . . . A 163 ASN HD21 . 18178 1 830 . 1 1 128 128 ASN HD22 H 1 6.956 0.011 . 1 . . . A 163 ASN HD22 . 18178 1 831 . 1 1 128 128 ASN C C 13 177.513 0.000 . 1 . . . A 163 ASN C . 18178 1 832 . 1 1 128 128 ASN CA C 13 54.064 0.080 . 1 . . . A 163 ASN CA . 18178 1 833 . 1 1 128 128 ASN CB C 13 36.187 0.027 . 1 . . . A 163 ASN CB . 18178 1 834 . 1 1 128 128 ASN CG C 13 175.776 0.024 . 1 . . . A 163 ASN CG . 18178 1 835 . 1 1 128 128 ASN N N 15 121.966 0.075 . 1 . . . A 163 ASN N . 18178 1 836 . 1 1 128 128 ASN ND2 N 15 111.452 0.000 . 1 . . . A 163 ASN ND2 . 18178 1 837 . 1 1 129 129 MET H H 1 8.694 0.010 . 1 . . . A 164 MET H . 18178 1 838 . 1 1 129 129 MET C C 13 178.663 0.000 . 1 . . . A 164 MET C . 18178 1 839 . 1 1 129 129 MET CA C 13 59.059 0.015 . 1 . . . A 164 MET CA . 18178 1 840 . 1 1 129 129 MET CB C 13 33.742 0.000 . 1 . . . A 164 MET CB . 18178 1 841 . 1 1 129 129 MET N N 15 122.224 0.097 . 1 . . . A 164 MET N . 18178 1 842 . 1 1 130 130 LYS H H 1 7.753 0.004 . 1 . . . A 165 LYS H . 18178 1 843 . 1 1 130 130 LYS C C 13 180.385 0.000 . 1 . . . A 165 LYS C . 18178 1 844 . 1 1 130 130 LYS CA C 13 60.025 0.031 . 1 . . . A 165 LYS CA . 18178 1 845 . 1 1 130 130 LYS CB C 13 30.867 0.000 . 1 . . . A 165 LYS CB . 18178 1 846 . 1 1 130 130 LYS N N 15 116.977 0.041 . 1 . . . A 165 LYS N . 18178 1 847 . 1 1 131 131 LYS H H 1 7.918 0.005 . 1 . . . A 166 LYS H . 18178 1 848 . 1 1 131 131 LYS C C 13 179.593 0.012 . 1 . . . A 166 LYS C . 18178 1 849 . 1 1 131 131 LYS CA C 13 59.679 0.000 . 1 . . . A 166 LYS CA . 18178 1 850 . 1 1 131 131 LYS CB C 13 31.918 0.000 . 1 . . . A 166 LYS CB . 18178 1 851 . 1 1 131 131 LYS N N 15 120.316 0.050 . 1 . . . A 166 LYS N . 18178 1 852 . 1 1 132 132 ALA H H 1 7.795 0.004 . 1 . . . A 167 ALA H . 18178 1 853 . 1 1 132 132 ALA C C 13 177.994 0.034 . 1 . . . A 167 ALA C . 18178 1 854 . 1 1 132 132 ALA CA C 13 53.695 0.020 . 1 . . . A 167 ALA CA . 18178 1 855 . 1 1 132 132 ALA CB C 13 17.347 0.000 . 1 . . . A 167 ALA CB . 18178 1 856 . 1 1 132 132 ALA N N 15 122.128 0.040 . 1 . . . A 167 ALA N . 18178 1 857 . 1 1 133 133 LEU H H 1 7.004 0.010 . 1 . . . A 168 LEU H . 18178 1 858 . 1 1 133 133 LEU HD11 H 1 0.251 0.003 . 1 . . . A 168 LEU HD11 . 18178 1 859 . 1 1 133 133 LEU HD12 H 1 0.251 0.003 . 1 . . . A 168 LEU HD12 . 18178 1 860 . 1 1 133 133 LEU HD13 H 1 0.251 0.003 . 1 . . . A 168 LEU HD13 . 18178 1 861 . 1 1 133 133 LEU HD21 H 1 0.728 0.007 . 1 . . . A 168 LEU HD21 . 18178 1 862 . 1 1 133 133 LEU HD22 H 1 0.728 0.007 . 1 . . . A 168 LEU HD22 . 18178 1 863 . 1 1 133 133 LEU HD23 H 1 0.728 0.007 . 1 . . . A 168 LEU HD23 . 18178 1 864 . 1 1 133 133 LEU C C 13 177.695 0.001 . 1 . . . A 168 LEU C . 18178 1 865 . 1 1 133 133 LEU CA C 13 55.413 0.075 . 1 . . . A 168 LEU CA . 18178 1 866 . 1 1 133 133 LEU CB C 13 41.048 0.039 . 1 . . . A 168 LEU CB . 18178 1 867 . 1 1 133 133 LEU CD1 C 13 22.930 0.034 . 1 . . . A 168 LEU CD1 . 18178 1 868 . 1 1 133 133 LEU CD2 C 13 25.975 0.054 . 1 . . . A 168 LEU CD2 . 18178 1 869 . 1 1 133 133 LEU N N 15 113.535 0.057 . 1 . . . A 168 LEU N . 18178 1 870 . 1 1 134 134 LYS H H 1 7.184 0.003 . 1 . . . A 169 LYS H . 18178 1 871 . 1 1 134 134 LYS C C 13 174.639 0.022 . 1 . . . A 169 LYS C . 18178 1 872 . 1 1 134 134 LYS CA C 13 54.990 0.035 . 1 . . . A 169 LYS CA . 18178 1 873 . 1 1 134 134 LYS CB C 13 28.705 0.011 . 1 . . . A 169 LYS CB . 18178 1 874 . 1 1 134 134 LYS N N 15 122.848 0.049 . 1 . . . A 169 LYS N . 18178 1 875 . 1 1 135 135 LEU H H 1 7.300 0.005 . 1 . . . A 170 LEU H . 18178 1 876 . 1 1 135 135 LEU HD11 H 1 0.668 0.005 . 1 . . . A 170 LEU HD11 . 18178 1 877 . 1 1 135 135 LEU HD12 H 1 0.668 0.005 . 1 . . . A 170 LEU HD12 . 18178 1 878 . 1 1 135 135 LEU HD13 H 1 0.668 0.005 . 1 . . . A 170 LEU HD13 . 18178 1 879 . 1 1 135 135 LEU HD21 H 1 0.822 0.004 . 1 . . . A 170 LEU HD21 . 18178 1 880 . 1 1 135 135 LEU HD22 H 1 0.822 0.004 . 1 . . . A 170 LEU HD22 . 18178 1 881 . 1 1 135 135 LEU HD23 H 1 0.822 0.004 . 1 . . . A 170 LEU HD23 . 18178 1 882 . 1 1 135 135 LEU C C 13 178.839 0.011 . 1 . . . A 170 LEU C . 18178 1 883 . 1 1 135 135 LEU CA C 13 54.406 0.080 . 1 . . . A 170 LEU CA . 18178 1 884 . 1 1 135 135 LEU CB C 13 39.889 0.022 . 1 . . . A 170 LEU CB . 18178 1 885 . 1 1 135 135 LEU CD1 C 13 21.118 0.047 . 1 . . . A 170 LEU CD1 . 18178 1 886 . 1 1 135 135 LEU CD2 C 13 25.683 0.044 . 1 . . . A 170 LEU CD2 . 18178 1 887 . 1 1 135 135 LEU N N 15 120.223 0.048 . 1 . . . A 170 LEU N . 18178 1 888 . 1 1 136 136 LEU H H 1 8.608 0.005 . 1 . . . A 171 LEU H . 18178 1 889 . 1 1 136 136 LEU HD11 H 1 0.726 0.009 . 1 . . . A 171 LEU HD11 . 18178 1 890 . 1 1 136 136 LEU HD12 H 1 0.726 0.009 . 1 . . . A 171 LEU HD12 . 18178 1 891 . 1 1 136 136 LEU HD13 H 1 0.726 0.009 . 1 . . . A 171 LEU HD13 . 18178 1 892 . 1 1 136 136 LEU HD21 H 1 0.741 0.002 . 1 . . . A 171 LEU HD21 . 18178 1 893 . 1 1 136 136 LEU HD22 H 1 0.741 0.002 . 1 . . . A 171 LEU HD22 . 18178 1 894 . 1 1 136 136 LEU HD23 H 1 0.741 0.002 . 1 . . . A 171 LEU HD23 . 18178 1 895 . 1 1 136 136 LEU C C 13 178.609 0.022 . 1 . . . A 171 LEU C . 18178 1 896 . 1 1 136 136 LEU CA C 13 55.289 0.078 . 1 . . . A 171 LEU CA . 18178 1 897 . 1 1 136 136 LEU CB C 13 40.676 0.060 . 1 . . . A 171 LEU CB . 18178 1 898 . 1 1 136 136 LEU CD1 C 13 25.167 0.027 . 1 . . . A 171 LEU CD1 . 18178 1 899 . 1 1 136 136 LEU CD2 C 13 21.313 0.019 . 1 . . . A 171 LEU CD2 . 18178 1 900 . 1 1 136 136 LEU N N 15 119.810 0.059 . 1 . . . A 171 LEU N . 18178 1 901 . 1 1 137 137 LYS H H 1 8.450 0.003 . 1 . . . A 172 LYS H . 18178 1 902 . 1 1 137 137 LYS C C 13 176.728 0.017 . 1 . . . A 172 LYS C . 18178 1 903 . 1 1 137 137 LYS CA C 13 55.451 0.053 . 1 . . . A 172 LYS CA . 18178 1 904 . 1 1 137 137 LYS CB C 13 31.752 0.002 . 1 . . . A 172 LYS CB . 18178 1 905 . 1 1 137 137 LYS N N 15 120.729 0.052 . 1 . . . A 172 LYS N . 18178 1 906 . 1 1 138 138 THR H H 1 8.086 0.003 . 1 . . . A 173 THR H . 18178 1 907 . 1 1 138 138 THR C C 13 174.592 0.021 . 1 . . . A 173 THR C . 18178 1 908 . 1 1 138 138 THR CA C 13 61.468 0.029 . 1 . . . A 173 THR CA . 18178 1 909 . 1 1 138 138 THR CB C 13 69.237 0.011 . 1 . . . A 173 THR CB . 18178 1 910 . 1 1 138 138 THR N N 15 116.281 0.048 . 1 . . . A 173 THR N . 18178 1 911 . 1 1 139 139 GLU H H 1 8.277 0.006 . 1 . . . A 174 GLU H . 18178 1 912 . 1 1 139 139 GLU C C 13 175.505 0.022 . 1 . . . A 174 GLU C . 18178 1 913 . 1 1 139 139 GLU CA C 13 55.752 0.057 . 1 . . . A 174 GLU CA . 18178 1 914 . 1 1 139 139 GLU CB C 13 29.506 0.006 . 1 . . . A 174 GLU CB . 18178 1 915 . 1 1 139 139 GLU N N 15 123.493 0.056 . 1 . . . A 174 GLU N . 18178 1 916 . 1 1 140 140 LEU H H 1 7.848 0.002 . 1 . . . A 175 LEU H . 18178 1 917 . 1 1 140 140 LEU HD11 H 1 0.764 0.004 . 1 . . . A 175 LEU HD11 . 18178 1 918 . 1 1 140 140 LEU HD12 H 1 0.764 0.004 . 1 . . . A 175 LEU HD12 . 18178 1 919 . 1 1 140 140 LEU HD13 H 1 0.764 0.004 . 1 . . . A 175 LEU HD13 . 18178 1 920 . 1 1 140 140 LEU HD21 H 1 0.811 0.002 . 1 . . . A 175 LEU HD21 . 18178 1 921 . 1 1 140 140 LEU HD22 H 1 0.811 0.002 . 1 . . . A 175 LEU HD22 . 18178 1 922 . 1 1 140 140 LEU HD23 H 1 0.811 0.002 . 1 . . . A 175 LEU HD23 . 18178 1 923 . 1 1 140 140 LEU C C 13 182.820 0.000 . 1 . . . A 175 LEU C . 18178 1 924 . 1 1 140 140 LEU CA C 13 56.185 0.027 . 1 . . . A 175 LEU CA . 18178 1 925 . 1 1 140 140 LEU CB C 13 42.227 0.048 . 1 . . . A 175 LEU CB . 18178 1 926 . 1 1 140 140 LEU CD1 C 13 23.325 0.013 . 1 . . . A 175 LEU CD1 . 18178 1 927 . 1 1 140 140 LEU CD2 C 13 25.006 0.045 . 1 . . . A 175 LEU CD2 . 18178 1 928 . 1 1 140 140 LEU N N 15 128.735 0.047 . 1 . . . A 175 LEU N . 18178 1 stop_ save_