data_17245 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17245 _Entry.Title ; Solution Structure of the Chemokine CCL21 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-10-10 _Entry.Accession_date 2010-10-10 _Entry.Last_release_date 2012-02-03 _Entry.Original_release_date 2012-02-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 C. Veldkamp C. T. . 17245 2 F. Peterson F. C. . 17245 3 M. Love M. . . 17245 4 J. Sandberg J. L. . 17245 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' . 17245 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 6Ckine . 17245 CCL21 . 17245 CCR7 . 17245 Chemokine . 17245 Exodus-2 . 17245 SLC . 17245 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17245 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 441 17245 '15N chemical shifts' 99 17245 '1H chemical shifts' 684 17245 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-02-03 2010-10-10 original author . 17245 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L4N 'BMRB Entry Tracking System' 17245 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17245 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22221265 _Citation.Full_citation . _Citation.Title 'Solution Structure of CCL21 and Identification of a Putative CCR7 Binding Site.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 51 _Citation.Journal_issue 3 _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 733 _Citation.Page_last 735 _Citation.Year 2012 _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 Melissa Love . . . 17245 1 2 Jamie Sandberg . L. . 17245 1 3 Joshua Ziarek . J. . 17245 1 4 Kyle Gerarden . P. . 17245 1 5 Renee Rode . R. . 17245 1 6 Davin Jensen . R. . 17245 1 7 Darrell McCaslin . R. . 17245 1 8 Francis Peterson . C. . 17245 1 9 Christopher Veldkamp . T. . 17245 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17245 _Assembly.ID 1 _Assembly.Name CCL21_SLC_6Ckine_Exodus-2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 CCL21_SLC_6Ckine_Exodus-2 1 $CCL21_SLC_6Ckine_Exodus-2 A . yes native no no . . . 17245 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 8 8 SG . 1 . 1 CYS 34 34 SG . . . . . . . . . . 17245 1 2 disulfide single . 1 . 1 CYS 9 9 SG . 1 . 1 CYS 52 52 SG . . . . . . . . . . 17245 1 3 disulfide single . 1 . 1 CYS 80 80 SG . 1 . 1 CYS 99 99 SG . . . . . . . . . . 17245 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CCL21_SLC_6Ckine_Exodus-2 _Entity.Sf_category entity _Entity.Sf_framecode CCL21_SLC_6Ckine_Exodus-2 _Entity.Entry_ID 17245 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CCL21_SLC_6Ckine_Exodus-2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SDGGAQDCCLKYSQRKIPAK VVRSYRKQEPSLGCSIPAIL FLPRKRSQAELCADPKELWV QQLMQHLDKTPSPQKPAQGC RKDRGASKTGKKGKGSKGCK RTERSQTPKGPKL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment CCL21 _Entity.Mutation 'Contains a C-terminal Lys-Leu dipeptide' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12519.708 _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 PDB 2L4N . "Solution Structure Of The Chemokine Ccl21" . . . . . 100.00 113 100.00 100.00 4.23e-73 . . . . 17245 1 2 no DBJ BAA21817 . "CC chemokine ligand 21 [Homo sapiens]" . . . . . 98.23 134 100.00 100.00 4.57e-72 . . . . 17245 1 3 no DBJ BAG34842 . "unnamed protein product [Homo sapiens]" . . . . . 98.23 134 100.00 100.00 4.57e-72 . . . . 17245 1 4 no DBJ BAG72999 . "chemokine (C-C motif) ligand 21 [synthetic construct]" . . . . . 98.23 134 100.00 100.00 4.57e-72 . . . . 17245 1 5 no EMBL CAA06653 . "secondary lymphoid tissue chemokine [Homo sapiens]" . . . . . 98.23 134 100.00 100.00 4.57e-72 . . . . 17245 1 6 no EMBL CAG29322 . "CCL21 [Homo sapiens]" . . . . . 98.23 134 100.00 100.00 4.57e-72 . . . . 17245 1 7 no GB AAB86594 . "beta chemokine [Homo sapiens]" . . . . . 98.23 134 100.00 100.00 4.57e-72 . . . . 17245 1 8 no GB AAB91454 . "beta chemokine Exodus-2 [Homo sapiens]" . . . . . 98.23 134 100.00 100.00 4.57e-72 . . . . 17245 1 9 no GB AAH27918 . "Chemokine (C-C motif) ligand 21 [Homo sapiens]" . . . . . 98.23 134 100.00 100.00 4.57e-72 . . . . 17245 1 10 no GB AAQ13417 . "Efficient Chemoattractant for Lymphocytes [Homo sapiens]" . . . . . 98.23 134 100.00 100.00 4.57e-72 . . . . 17245 1 11 no GB AAQ89246 . "SLC chemokine [Homo sapiens]" . . . . . 98.23 134 100.00 100.00 4.57e-72 . . . . 17245 1 12 no REF NP_002980 . "C-C motif chemokine 21 precursor [Homo sapiens]" . . . . . 98.23 134 100.00 100.00 4.57e-72 . . . . 17245 1 13 no REF XP_001164162 . "PREDICTED: C-C motif chemokine 21 isoform X2 [Pan troglodytes]" . . . . . 98.23 134 100.00 100.00 4.57e-72 . . . . 17245 1 14 no REF XP_003263432 . "PREDICTED: C-C motif chemokine 21 [Nomascus leucogenys]" . . . . . 98.23 134 99.10 99.10 3.47e-71 . . . . 17245 1 15 no REF XP_003829862 . "PREDICTED: C-C motif chemokine 21 [Pan paniscus]" . . . . . 98.23 134 100.00 100.00 4.57e-72 . . . . 17245 1 16 no REF XP_004048021 . "PREDICTED: c-C motif chemokine 21 [Gorilla gorilla gorilla]" . . . . . 98.23 134 99.10 99.10 1.87e-71 . . . . 17245 1 17 no SP O00585 . "RecName: Full=C-C motif chemokine 21; AltName: Full=6Ckine; AltName: Full=Beta-chemokine exodus-2; AltName: Full=Secondary lymp" . . . . . 98.23 134 100.00 100.00 4.57e-72 . . . . 17245 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 . SER . 17245 1 2 . ASP . 17245 1 3 . GLY . 17245 1 4 . GLY . 17245 1 5 . ALA . 17245 1 6 . GLN . 17245 1 7 . ASP . 17245 1 8 . CYS . 17245 1 9 . CYS . 17245 1 10 . LEU . 17245 1 11 . LYS . 17245 1 12 . TYR . 17245 1 13 . SER . 17245 1 14 . GLN . 17245 1 15 . ARG . 17245 1 16 . LYS . 17245 1 17 . ILE . 17245 1 18 . PRO . 17245 1 19 . ALA . 17245 1 20 . LYS . 17245 1 21 . VAL . 17245 1 22 . VAL . 17245 1 23 . ARG . 17245 1 24 . SER . 17245 1 25 . TYR . 17245 1 26 . ARG . 17245 1 27 . LYS . 17245 1 28 . GLN . 17245 1 29 . GLU . 17245 1 30 . PRO . 17245 1 31 . SER . 17245 1 32 . LEU . 17245 1 33 . GLY . 17245 1 34 . CYS . 17245 1 35 . SER . 17245 1 36 . ILE . 17245 1 37 . PRO . 17245 1 38 . ALA . 17245 1 39 . ILE . 17245 1 40 . LEU . 17245 1 41 . PHE . 17245 1 42 . LEU . 17245 1 43 . PRO . 17245 1 44 . ARG . 17245 1 45 . LYS . 17245 1 46 . ARG . 17245 1 47 . SER . 17245 1 48 . GLN . 17245 1 49 . ALA . 17245 1 50 . GLU . 17245 1 51 . LEU . 17245 1 52 . CYS . 17245 1 53 . ALA . 17245 1 54 . ASP . 17245 1 55 . PRO . 17245 1 56 . LYS . 17245 1 57 . GLU . 17245 1 58 . LEU . 17245 1 59 . TRP . 17245 1 60 . VAL . 17245 1 61 . GLN . 17245 1 62 . GLN . 17245 1 63 . LEU . 17245 1 64 . MET . 17245 1 65 . GLN . 17245 1 66 . HIS . 17245 1 67 . LEU . 17245 1 68 . ASP . 17245 1 69 . LYS . 17245 1 70 . THR . 17245 1 71 . PRO . 17245 1 72 . SER . 17245 1 73 . PRO . 17245 1 74 . GLN . 17245 1 75 . LYS . 17245 1 76 . PRO . 17245 1 77 . ALA . 17245 1 78 . GLN . 17245 1 79 . GLY . 17245 1 80 . CYS . 17245 1 81 . ARG . 17245 1 82 . LYS . 17245 1 83 . ASP . 17245 1 84 . ARG . 17245 1 85 . GLY . 17245 1 86 . ALA . 17245 1 87 . SER . 17245 1 88 . LYS . 17245 1 89 . THR . 17245 1 90 . GLY . 17245 1 91 . LYS . 17245 1 92 . LYS . 17245 1 93 . GLY . 17245 1 94 . LYS . 17245 1 95 . GLY . 17245 1 96 . SER . 17245 1 97 . LYS . 17245 1 98 . GLY . 17245 1 99 . CYS . 17245 1 100 . LYS . 17245 1 101 . ARG . 17245 1 102 . THR . 17245 1 103 . GLU . 17245 1 104 . ARG . 17245 1 105 . SER . 17245 1 106 . GLN . 17245 1 107 . THR . 17245 1 108 . PRO . 17245 1 109 . LYS . 17245 1 110 . GLY . 17245 1 111 . PRO . 17245 1 112 . LYS . 17245 1 113 . LEU . 17245 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 . SER 1 1 17245 1 . ASP 2 2 17245 1 . GLY 3 3 17245 1 . GLY 4 4 17245 1 . ALA 5 5 17245 1 . GLN 6 6 17245 1 . ASP 7 7 17245 1 . CYS 8 8 17245 1 . CYS 9 9 17245 1 . LEU 10 10 17245 1 . LYS 11 11 17245 1 . TYR 12 12 17245 1 . SER 13 13 17245 1 . GLN 14 14 17245 1 . ARG 15 15 17245 1 . LYS 16 16 17245 1 . ILE 17 17 17245 1 . PRO 18 18 17245 1 . ALA 19 19 17245 1 . LYS 20 20 17245 1 . VAL 21 21 17245 1 . VAL 22 22 17245 1 . ARG 23 23 17245 1 . SER 24 24 17245 1 . TYR 25 25 17245 1 . ARG 26 26 17245 1 . LYS 27 27 17245 1 . GLN 28 28 17245 1 . GLU 29 29 17245 1 . PRO 30 30 17245 1 . SER 31 31 17245 1 . LEU 32 32 17245 1 . GLY 33 33 17245 1 . CYS 34 34 17245 1 . SER 35 35 17245 1 . ILE 36 36 17245 1 . PRO 37 37 17245 1 . ALA 38 38 17245 1 . ILE 39 39 17245 1 . LEU 40 40 17245 1 . PHE 41 41 17245 1 . LEU 42 42 17245 1 . PRO 43 43 17245 1 . ARG 44 44 17245 1 . LYS 45 45 17245 1 . ARG 46 46 17245 1 . SER 47 47 17245 1 . GLN 48 48 17245 1 . ALA 49 49 17245 1 . GLU 50 50 17245 1 . LEU 51 51 17245 1 . CYS 52 52 17245 1 . ALA 53 53 17245 1 . ASP 54 54 17245 1 . PRO 55 55 17245 1 . LYS 56 56 17245 1 . GLU 57 57 17245 1 . LEU 58 58 17245 1 . TRP 59 59 17245 1 . VAL 60 60 17245 1 . GLN 61 61 17245 1 . GLN 62 62 17245 1 . LEU 63 63 17245 1 . MET 64 64 17245 1 . GLN 65 65 17245 1 . HIS 66 66 17245 1 . LEU 67 67 17245 1 . ASP 68 68 17245 1 . LYS 69 69 17245 1 . THR 70 70 17245 1 . PRO 71 71 17245 1 . SER 72 72 17245 1 . PRO 73 73 17245 1 . GLN 74 74 17245 1 . LYS 75 75 17245 1 . PRO 76 76 17245 1 . ALA 77 77 17245 1 . GLN 78 78 17245 1 . GLY 79 79 17245 1 . CYS 80 80 17245 1 . ARG 81 81 17245 1 . LYS 82 82 17245 1 . ASP 83 83 17245 1 . ARG 84 84 17245 1 . GLY 85 85 17245 1 . ALA 86 86 17245 1 . SER 87 87 17245 1 . LYS 88 88 17245 1 . THR 89 89 17245 1 . GLY 90 90 17245 1 . LYS 91 91 17245 1 . LYS 92 92 17245 1 . GLY 93 93 17245 1 . LYS 94 94 17245 1 . GLY 95 95 17245 1 . SER 96 96 17245 1 . LYS 97 97 17245 1 . GLY 98 98 17245 1 . CYS 99 99 17245 1 . LYS 100 100 17245 1 . ARG 101 101 17245 1 . THR 102 102 17245 1 . GLU 103 103 17245 1 . ARG 104 104 17245 1 . SER 105 105 17245 1 . GLN 106 106 17245 1 . THR 107 107 17245 1 . PRO 108 108 17245 1 . LYS 109 109 17245 1 . GLY 110 110 17245 1 . PRO 111 111 17245 1 . LYS 112 112 17245 1 . LEU 113 113 17245 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 17245 _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 $CCL21_SLC_6Ckine_Exodus-2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17245 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 17245 _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 $CCL21_SLC_6Ckine_Exodus-2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pQE30-8HT-SMT3 . . . 'pQE30 plasmid from Qiagen, contains an 8X His tag, TEV protease sight and SMT3(SUMO) immediately before the MCS.' . . 17245 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17245 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.500 mM CCL21 U-15N/13C, 25 mM MES(d13), 0.02% Sodium Azide (w/v)' _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 CCL21_SLC_6Ckine_Exodus-2 '[U-100% 13C; U-100% 15N]' . . 1 $CCL21_SLC_6Ckine_Exodus-2 . . 0.500 . . mM . . . . 17245 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17245 1 3 MES [U-2H] . . . . . . 25 . . mM . . . . 17245 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17245 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17245 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17245 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17245 _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' 21 . mM 17245 1 pH 6.1 . pH 17245 1 pressure 1 . atm 17245 1 temperature 298 . K 17245 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17245 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17245 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17245 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17245 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 17245 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17245 2 'data analysis' 17245 2 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 17245 _Software.ID 3 _Software.Name GARANT _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels, Guntert, Billeter and Wuthrich' . . 17245 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17245 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17245 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17245 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17245 4 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17245 _Software.ID 5 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17245 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17245 5 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 17245 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17245 _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 DRX . 500 . . . 17245 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 17245 _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 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17245 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17245 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17245 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 17245 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17245 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17245 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17245 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 17245 _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 3D_15N-separated_NOESY . . . 17245 1 2 3D_13C-separated_NOESY . . . 17245 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 17245 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 2 2 ASP HA H 1 4.639 0.02 . 1 . . . . 2 ASP HA . 17245 1 2 . 1 1 2 2 ASP HB2 H 1 2.752 0.02 . 2 . . . . 2 ASP HB2 . 17245 1 3 . 1 1 2 2 ASP HB3 H 1 2.729 0.02 . 2 . . . . 2 ASP HB3 . 17245 1 4 . 1 1 2 2 ASP C C 13 176.556 0.1 . 1 . . . . 2 ASP C . 17245 1 5 . 1 1 2 2 ASP CA C 13 54.780 0.1 . 1 . . . . 2 ASP CA . 17245 1 6 . 1 1 2 2 ASP CB C 13 41.640 0.1 . 1 . . . . 2 ASP CB . 17245 1 7 . 1 1 3 3 GLY H H 1 8.542 0.02 . 1 . . . . 3 GLY H . 17245 1 8 . 1 1 3 3 GLY HA2 H 1 4.024 0.02 . 1 . . . . 3 GLY HA2 . 17245 1 9 . 1 1 3 3 GLY HA3 H 1 4.024 0.02 . 1 . . . . 3 GLY HA3 . 17245 1 10 . 1 1 3 3 GLY C C 13 174.790 0.1 . 1 . . . . 3 GLY C . 17245 1 11 . 1 1 3 3 GLY CA C 13 45.697 0.1 . 1 . . . . 3 GLY CA . 17245 1 12 . 1 1 3 3 GLY N N 15 109.730 0.1 . 1 . . . . 3 GLY N . 17245 1 13 . 1 1 4 4 GLY H H 1 8.331 0.02 . 1 . . . . 4 GLY H . 17245 1 14 . 1 1 4 4 GLY HA2 H 1 4.024 0.02 . 1 . . . . 4 GLY HA2 . 17245 1 15 . 1 1 4 4 GLY HA3 H 1 4.024 0.02 . 1 . . . . 4 GLY HA3 . 17245 1 16 . 1 1 4 4 GLY C C 13 174.060 0.1 . 1 . . . . 4 GLY C . 17245 1 17 . 1 1 4 4 GLY CA C 13 45.292 0.1 . 1 . . . . 4 GLY CA . 17245 1 18 . 1 1 4 4 GLY N N 15 108.897 0.1 . 1 . . . . 4 GLY N . 17245 1 19 . 1 1 5 5 ALA H H 1 8.239 0.02 . 1 . . . . 5 ALA H . 17245 1 20 . 1 1 5 5 ALA HA H 1 4.373 0.02 . 1 . . . . 5 ALA HA . 17245 1 21 . 1 1 5 5 ALA HB1 H 1 1.428 0.02 . 1 . . . . 5 ALA QB . 17245 1 22 . 1 1 5 5 ALA HB2 H 1 1.428 0.02 . 1 . . . . 5 ALA QB . 17245 1 23 . 1 1 5 5 ALA HB3 H 1 1.428 0.02 . 1 . . . . 5 ALA QB . 17245 1 24 . 1 1 5 5 ALA C C 13 177.840 0.1 . 1 . . . . 5 ALA C . 17245 1 25 . 1 1 5 5 ALA CA C 13 52.794 0.1 . 1 . . . . 5 ALA CA . 17245 1 26 . 1 1 5 5 ALA CB C 13 19.474 0.1 . 1 . . . . 5 ALA CB . 17245 1 27 . 1 1 5 5 ALA N N 15 123.864 0.1 . 1 . . . . 5 ALA N . 17245 1 28 . 1 1 6 6 GLN H H 1 8.444 0.02 . 1 . . . . 6 GLN H . 17245 1 29 . 1 1 6 6 GLN HA H 1 4.392 0.02 . 1 . . . . 6 GLN HA . 17245 1 30 . 1 1 6 6 GLN HB2 H 1 2.107 0.02 . 1 . . . . 6 GLN HB2 . 17245 1 31 . 1 1 6 6 GLN HB3 H 1 2.107 0.02 . 1 . . . . 6 GLN HB3 . 17245 1 32 . 1 1 6 6 GLN HG2 H 1 2.409 0.02 . 1 . . . . 6 GLN HG2 . 17245 1 33 . 1 1 6 6 GLN HG3 H 1 2.409 0.02 . 1 . . . . 6 GLN HG3 . 17245 1 34 . 1 1 6 6 GLN C C 13 175.637 0.1 . 1 . . . . 6 GLN C . 17245 1 35 . 1 1 6 6 GLN CA C 13 55.943 0.1 . 1 . . . . 6 GLN CA . 17245 1 36 . 1 1 6 6 GLN CB C 13 29.873 0.1 . 1 . . . . 6 GLN CB . 17245 1 37 . 1 1 6 6 GLN CG C 13 33.887 0.1 . 1 . . . . 6 GLN CG . 17245 1 38 . 1 1 6 6 GLN N N 15 119.343 0.1 . 1 . . . . 6 GLN N . 17245 1 39 . 1 1 7 7 ASP H H 1 8.382 0.02 . 1 . . . . 7 ASP H . 17245 1 40 . 1 1 7 7 ASP HA H 1 4.640 0.02 . 1 . . . . 7 ASP HA . 17245 1 41 . 1 1 7 7 ASP HB2 H 1 2.701 0.02 . 2 . . . . 7 ASP HB2 . 17245 1 42 . 1 1 7 7 ASP HB3 H 1 2.632 0.02 . 2 . . . . 7 ASP HB3 . 17245 1 43 . 1 1 7 7 ASP C C 13 175.841 0.1 . 1 . . . . 7 ASP C . 17245 1 44 . 1 1 7 7 ASP CA C 13 54.375 0.1 . 1 . . . . 7 ASP CA . 17245 1 45 . 1 1 7 7 ASP CB C 13 41.221 0.1 . 1 . . . . 7 ASP CB . 17245 1 46 . 1 1 7 7 ASP N N 15 121.635 0.1 . 1 . . . . 7 ASP N . 17245 1 47 . 1 1 8 8 CYS H H 1 8.164 0.02 . 1 . . . . 8 CYS H . 17245 1 48 . 1 1 8 8 CYS HA H 1 4.528 0.02 . 1 . . . . 8 CYS HA . 17245 1 49 . 1 1 8 8 CYS HB2 H 1 2.962 0.02 . 2 . . . . 8 CYS HB2 . 17245 1 50 . 1 1 8 8 CYS HB3 H 1 2.871 0.02 . 2 . . . . 8 CYS HB3 . 17245 1 51 . 1 1 8 8 CYS C C 13 174.498 0.1 . 1 . . . . 8 CYS C . 17245 1 52 . 1 1 8 8 CYS CA C 13 55.159 0.1 . 1 . . . . 8 CYS CA . 17245 1 53 . 1 1 8 8 CYS CB C 13 40.728 0.1 . 1 . . . . 8 CYS CB . 17245 1 54 . 1 1 8 8 CYS N N 15 119.188 0.1 . 1 . . . . 8 CYS N . 17245 1 55 . 1 1 9 9 CYS H H 1 10.017 0.02 . 1 . . . . 9 CYS H . 17245 1 56 . 1 1 9 9 CYS HA H 1 4.501 0.02 . 1 . . . . 9 CYS HA . 17245 1 57 . 1 1 9 9 CYS HB2 H 1 3.257 0.02 . 2 . . . . 9 CYS HB2 . 17245 1 58 . 1 1 9 9 CYS HB3 H 1 2.876 0.02 . 2 . . . . 9 CYS HB3 . 17245 1 59 . 1 1 9 9 CYS C C 13 174.279 0.1 . 1 . . . . 9 CYS C . 17245 1 60 . 1 1 9 9 CYS CA C 13 55.741 0.1 . 1 . . . . 9 CYS CA . 17245 1 61 . 1 1 9 9 CYS CB C 13 40.774 0.1 . 1 . . . . 9 CYS CB . 17245 1 62 . 1 1 9 9 CYS N N 15 126.400 0.1 . 1 . . . . 9 CYS N . 17245 1 63 . 1 1 10 10 LEU H H 1 8.870 0.02 . 1 . . . . 10 LEU H . 17245 1 64 . 1 1 10 10 LEU HA H 1 4.392 0.02 . 1 . . . . 10 LEU HA . 17245 1 65 . 1 1 10 10 LEU HB2 H 1 1.589 0.02 . 1 . . . . 10 LEU HB2 . 17245 1 66 . 1 1 10 10 LEU HB3 H 1 1.589 0.02 . 1 . . . . 10 LEU HB3 . 17245 1 67 . 1 1 10 10 LEU HD11 H 1 0.926 0.02 . 2 . . . . 10 LEU QD1 . 17245 1 68 . 1 1 10 10 LEU HD12 H 1 0.926 0.02 . 2 . . . . 10 LEU QD1 . 17245 1 69 . 1 1 10 10 LEU HD13 H 1 0.926 0.02 . 2 . . . . 10 LEU QD1 . 17245 1 70 . 1 1 10 10 LEU HD21 H 1 0.852 0.02 . 2 . . . . 10 LEU QD2 . 17245 1 71 . 1 1 10 10 LEU HD22 H 1 0.852 0.02 . 2 . . . . 10 LEU QD2 . 17245 1 72 . 1 1 10 10 LEU HD23 H 1 0.852 0.02 . 2 . . . . 10 LEU QD2 . 17245 1 73 . 1 1 10 10 LEU HG H 1 1.618 0.02 . 1 . . . . 10 LEU HG . 17245 1 74 . 1 1 10 10 LEU C C 13 175.958 0.1 . 1 . . . . 10 LEU C . 17245 1 75 . 1 1 10 10 LEU CA C 13 55.083 0.1 . 1 . . . . 10 LEU CA . 17245 1 76 . 1 1 10 10 LEU CB C 13 44.468 0.1 . 1 . . . . 10 LEU CB . 17245 1 77 . 1 1 10 10 LEU CD1 C 13 25.367 0.1 . 1 . . . . 10 LEU CD1 . 17245 1 78 . 1 1 10 10 LEU CD2 C 13 23.425 0.1 . 1 . . . . 10 LEU CD2 . 17245 1 79 . 1 1 10 10 LEU CG C 13 26.954 0.1 . 1 . . . . 10 LEU CG . 17245 1 80 . 1 1 10 10 LEU N N 15 125.247 0.1 . 1 . . . . 10 LEU N . 17245 1 81 . 1 1 11 11 LYS H H 1 7.375 0.02 . 1 . . . . 11 LYS H . 17245 1 82 . 1 1 11 11 LYS HA H 1 4.024 0.02 . 1 . . . . 11 LYS HA . 17245 1 83 . 1 1 11 11 LYS HB2 H 1 1.736 0.02 . 1 . . . . 11 LYS HB2 . 17245 1 84 . 1 1 11 11 LYS HB3 H 1 1.736 0.02 . 1 . . . . 11 LYS HB3 . 17245 1 85 . 1 1 11 11 LYS HD2 H 1 1.703 0.02 . 1 . . . . 11 LYS HD2 . 17245 1 86 . 1 1 11 11 LYS HD3 H 1 1.703 0.02 . 1 . . . . 11 LYS HD3 . 17245 1 87 . 1 1 11 11 LYS HE2 H 1 3.022 0.02 . 1 . . . . 11 LYS HE2 . 17245 1 88 . 1 1 11 11 LYS HE3 H 1 3.022 0.02 . 1 . . . . 11 LYS HE3 . 17245 1 89 . 1 1 11 11 LYS HG2 H 1 1.340 0.02 . 1 . . . . 11 LYS HG2 . 17245 1 90 . 1 1 11 11 LYS HG3 H 1 1.340 0.02 . 1 . . . . 11 LYS HG3 . 17245 1 91 . 1 1 11 11 LYS C C 13 174.367 0.1 . 1 . . . . 11 LYS C . 17245 1 92 . 1 1 11 11 LYS CA C 13 54.767 0.1 . 1 . . . . 11 LYS CA . 17245 1 93 . 1 1 11 11 LYS CB C 13 35.437 0.1 . 1 . . . . 11 LYS CB . 17245 1 94 . 1 1 11 11 LYS CD C 13 29.508 0.1 . 1 . . . . 11 LYS CD . 17245 1 95 . 1 1 11 11 LYS CE C 13 42.644 0.1 . 1 . . . . 11 LYS CE . 17245 1 96 . 1 1 11 11 LYS CG C 13 24.073 0.1 . 1 . . . . 11 LYS CG . 17245 1 97 . 1 1 11 11 LYS N N 15 118.898 0.1 . 1 . . . . 11 LYS N . 17245 1 98 . 1 1 12 12 TYR H H 1 8.244 0.02 . 1 . . . . 12 TYR H . 17245 1 99 . 1 1 12 12 TYR HA H 1 4.684 0.02 . 1 . . . . 12 TYR HA . 17245 1 100 . 1 1 12 12 TYR HB2 H 1 3.414 0.02 . 2 . . . . 12 TYR HB2 . 17245 1 101 . 1 1 12 12 TYR HB3 H 1 2.871 0.02 . 2 . . . . 12 TYR HB3 . 17245 1 102 . 1 1 12 12 TYR HD1 H 1 7.075 0.02 . 1 . . . . 12 TYR HD1 . 17245 1 103 . 1 1 12 12 TYR HD2 H 1 7.075 0.02 . 1 . . . . 12 TYR HD2 . 17245 1 104 . 1 1 12 12 TYR HE1 H 1 6.944 0.02 . 1 . . . . 12 TYR HE1 . 17245 1 105 . 1 1 12 12 TYR HE2 H 1 6.944 0.02 . 1 . . . . 12 TYR HE2 . 17245 1 106 . 1 1 12 12 TYR C C 13 177.300 0.1 . 1 . . . . 12 TYR C . 17245 1 107 . 1 1 12 12 TYR CA C 13 56.070 0.1 . 1 . . . . 12 TYR CA . 17245 1 108 . 1 1 12 12 TYR CB C 13 39.360 0.1 . 1 . . . . 12 TYR CB . 17245 1 109 . 1 1 12 12 TYR CD1 C 13 132.824 0.1 . 1 . . . . 12 TYR CD1 . 17245 1 110 . 1 1 12 12 TYR CE1 C 13 119.623 0.1 . 1 . . . . 12 TYR CE1 . 17245 1 111 . 1 1 12 12 TYR N N 15 123.359 0.1 . 1 . . . . 12 TYR N . 17245 1 112 . 1 1 13 13 SER H H 1 8.987 0.02 . 1 . . . . 13 SER H . 17245 1 113 . 1 1 13 13 SER HA H 1 4.311 0.02 . 1 . . . . 13 SER HA . 17245 1 114 . 1 1 13 13 SER HB2 H 1 4.660 0.02 . 1 . . . . 13 SER HB2 . 17245 1 115 . 1 1 13 13 SER HB3 H 1 4.660 0.02 . 1 . . . . 13 SER HB3 . 17245 1 116 . 1 1 13 13 SER C C 13 176.031 0.1 . 1 . . . . 13 SER C . 17245 1 117 . 1 1 13 13 SER CA C 13 59.270 0.1 . 1 . . . . 13 SER CA . 17245 1 118 . 1 1 13 13 SER CB C 13 64.126 0.1 . 1 . . . . 13 SER CB . 17245 1 119 . 1 1 13 13 SER N N 15 116.683 0.1 . 1 . . . . 13 SER N . 17245 1 120 . 1 1 14 14 GLN H H 1 9.004 0.02 . 1 . . . . 14 GLN H . 17245 1 121 . 1 1 14 14 GLN HA H 1 4.622 0.02 . 1 . . . . 14 GLN HA . 17245 1 122 . 1 1 14 14 GLN HB2 H 1 2.417 0.02 . 2 . . . . 14 GLN HB2 . 17245 1 123 . 1 1 14 14 GLN HB3 H 1 2.065 0.02 . 2 . . . . 14 GLN HB3 . 17245 1 124 . 1 1 14 14 GLN HG2 H 1 2.595 0.02 . 1 . . . . 14 GLN HG2 . 17245 1 125 . 1 1 14 14 GLN HG3 H 1 2.595 0.02 . 1 . . . . 14 GLN HG3 . 17245 1 126 . 1 1 14 14 GLN C C 13 175.812 0.1 . 1 . . . . 14 GLN C . 17245 1 127 . 1 1 14 14 GLN CA C 13 56.525 0.1 . 1 . . . . 14 GLN CA . 17245 1 128 . 1 1 14 14 GLN CB C 13 29.690 0.1 . 1 . . . . 14 GLN CB . 17245 1 129 . 1 1 14 14 GLN CG C 13 34.343 0.1 . 1 . . . . 14 GLN CG . 17245 1 130 . 1 1 14 14 GLN N N 15 125.359 0.1 . 1 . . . . 14 GLN N . 17245 1 131 . 1 1 15 15 ARG H H 1 7.831 0.02 . 1 . . . . 15 ARG H . 17245 1 132 . 1 1 15 15 ARG HA H 1 4.307 0.02 . 1 . . . . 15 ARG HA . 17245 1 133 . 1 1 15 15 ARG HB2 H 1 1.736 0.02 . 1 . . . . 15 ARG HB2 . 17245 1 134 . 1 1 15 15 ARG HB3 H 1 1.736 0.02 . 1 . . . . 15 ARG HB3 . 17245 1 135 . 1 1 15 15 ARG HD2 H 1 3.274 0.02 . 1 . . . . 15 ARG HD2 . 17245 1 136 . 1 1 15 15 ARG HD3 H 1 3.274 0.02 . 1 . . . . 15 ARG HD3 . 17245 1 137 . 1 1 15 15 ARG HG2 H 1 1.591 0.02 . 1 . . . . 15 ARG HG2 . 17245 1 138 . 1 1 15 15 ARG HG3 H 1 1.591 0.02 . 1 . . . . 15 ARG HG3 . 17245 1 139 . 1 1 15 15 ARG C C 13 174.659 0.1 . 1 . . . . 15 ARG C . 17245 1 140 . 1 1 15 15 ARG CA C 13 55.210 0.1 . 1 . . . . 15 ARG CA . 17245 1 141 . 1 1 15 15 ARG CB C 13 31.697 0.1 . 1 . . . . 15 ARG CB . 17245 1 142 . 1 1 15 15 ARG CD C 13 43.830 0.1 . 1 . . . . 15 ARG CD . 17245 1 143 . 1 1 15 15 ARG CG C 13 27.136 0.1 . 1 . . . . 15 ARG CG . 17245 1 144 . 1 1 15 15 ARG N N 15 119.455 0.1 . 1 . . . . 15 ARG N . 17245 1 145 . 1 1 16 16 LYS H H 1 7.838 0.02 . 1 . . . . 16 LYS H . 17245 1 146 . 1 1 16 16 LYS HA H 1 4.363 0.02 . 1 . . . . 16 LYS HA . 17245 1 147 . 1 1 16 16 LYS HB2 H 1 1.859 0.02 . 1 . . . . 16 LYS HB2 . 17245 1 148 . 1 1 16 16 LYS HB3 H 1 1.859 0.02 . 1 . . . . 16 LYS HB3 . 17245 1 149 . 1 1 16 16 LYS HD2 H 1 1.753 0.02 . 1 . . . . 16 LYS HD2 . 17245 1 150 . 1 1 16 16 LYS HD3 H 1 1.753 0.02 . 1 . . . . 16 LYS HD3 . 17245 1 151 . 1 1 16 16 LYS HE2 H 1 3.055 0.02 . 1 . . . . 16 LYS HE2 . 17245 1 152 . 1 1 16 16 LYS HE3 H 1 3.055 0.02 . 1 . . . . 16 LYS HE3 . 17245 1 153 . 1 1 16 16 LYS HG2 H 1 1.509 0.02 . 1 . . . . 16 LYS HG2 . 17245 1 154 . 1 1 16 16 LYS HG3 H 1 1.509 0.02 . 1 . . . . 16 LYS HG3 . 17245 1 155 . 1 1 16 16 LYS C C 13 175.461 0.1 . 1 . . . . 16 LYS C . 17245 1 156 . 1 1 16 16 LYS CA C 13 56.399 0.1 . 1 . . . . 16 LYS CA . 17245 1 157 . 1 1 16 16 LYS CB C 13 32.974 0.1 . 1 . . . . 16 LYS CB . 17245 1 158 . 1 1 16 16 LYS CD C 13 29.326 0.1 . 1 . . . . 16 LYS CD . 17245 1 159 . 1 1 16 16 LYS CE C 13 42.826 0.1 . 1 . . . . 16 LYS CE . 17245 1 160 . 1 1 16 16 LYS CG C 13 25.038 0.1 . 1 . . . . 16 LYS CG . 17245 1 161 . 1 1 16 16 LYS N N 15 121.986 0.1 . 1 . . . . 16 LYS N . 17245 1 162 . 1 1 17 17 ILE H H 1 7.932 0.02 . 1 . . . . 17 ILE H . 17245 1 163 . 1 1 17 17 ILE CA C 13 56.702 0.1 . 1 . . . . 17 ILE CA . 17245 1 164 . 1 1 17 17 ILE CB C 13 43.738 0.1 . 1 . . . . 17 ILE CB . 17245 1 165 . 1 1 17 17 ILE N N 15 130.417 0.1 . 1 . . . . 17 ILE N . 17245 1 166 . 1 1 18 18 PRO HA H 1 4.394 0.02 . 1 . . . . 18 PRO HA . 17245 1 167 . 1 1 18 18 PRO HB2 H 1 2.441 0.02 . 2 . . . . 18 PRO HB2 . 17245 1 168 . 1 1 18 18 PRO HB3 H 1 2.331 0.02 . 2 . . . . 18 PRO HB3 . 17245 1 169 . 1 1 18 18 PRO HD2 H 1 4.078 0.02 . 1 . . . . 18 PRO HD2 . 17245 1 170 . 1 1 18 18 PRO HD3 H 1 4.078 0.02 . 1 . . . . 18 PRO HD3 . 17245 1 171 . 1 1 18 18 PRO HG2 H 1 2.051 0.02 . 2 . . . . 18 PRO HG2 . 17245 1 172 . 1 1 18 18 PRO HG3 H 1 1.949 0.02 . 2 . . . . 18 PRO HG3 . 17245 1 173 . 1 1 18 18 PRO C C 13 177.067 0.1 . 1 . . . . 18 PRO C . 17245 1 174 . 1 1 18 18 PRO CA C 13 61.939 0.1 . 1 . . . . 18 PRO CA . 17245 1 175 . 1 1 18 18 PRO CB C 13 32.974 0.1 . 1 . . . . 18 PRO CB . 17245 1 176 . 1 1 18 18 PRO CG C 13 27.501 0.1 . 1 . . . . 18 PRO CG . 17245 1 177 . 1 1 19 19 ALA H H 1 8.399 0.02 . 1 . . . . 19 ALA H . 17245 1 178 . 1 1 19 19 ALA HA H 1 3.820 0.02 . 1 . . . . 19 ALA HA . 17245 1 179 . 1 1 19 19 ALA HB1 H 1 1.184 0.02 . 1 . . . . 19 ALA QB . 17245 1 180 . 1 1 19 19 ALA HB2 H 1 1.184 0.02 . 1 . . . . 19 ALA QB . 17245 1 181 . 1 1 19 19 ALA HB3 H 1 1.184 0.02 . 1 . . . . 19 ALA QB . 17245 1 182 . 1 1 19 19 ALA C C 13 179.781 0.1 . 1 . . . . 19 ALA C . 17245 1 183 . 1 1 19 19 ALA CA C 13 55.412 0.1 . 1 . . . . 19 ALA CA . 17245 1 184 . 1 1 19 19 ALA CB C 13 17.923 0.1 . 1 . . . . 19 ALA CB . 17245 1 185 . 1 1 19 19 ALA N N 15 123.950 0.1 . 1 . . . . 19 ALA N . 17245 1 186 . 1 1 20 20 LYS H H 1 8.056 0.02 . 1 . . . . 20 LYS H . 17245 1 187 . 1 1 20 20 LYS HA H 1 4.219 0.02 . 1 . . . . 20 LYS HA . 17245 1 188 . 1 1 20 20 LYS HB2 H 1 1.967 0.02 . 1 . . . . 20 LYS HB2 . 17245 1 189 . 1 1 20 20 LYS HB3 H 1 1.967 0.02 . 1 . . . . 20 LYS HB3 . 17245 1 190 . 1 1 20 20 LYS HD2 H 1 1.709 0.02 . 1 . . . . 20 LYS HD2 . 17245 1 191 . 1 1 20 20 LYS HD3 H 1 1.709 0.02 . 1 . . . . 20 LYS HD3 . 17245 1 192 . 1 1 20 20 LYS HE2 H 1 2.989 0.02 . 1 . . . . 20 LYS HE2 . 17245 1 193 . 1 1 20 20 LYS HE3 H 1 2.989 0.02 . 1 . . . . 20 LYS HE3 . 17245 1 194 . 1 1 20 20 LYS HG2 H 1 1.396 0.02 . 1 . . . . 20 LYS HG2 . 17245 1 195 . 1 1 20 20 LYS HG3 H 1 1.396 0.02 . 1 . . . . 20 LYS HG3 . 17245 1 196 . 1 1 20 20 LYS C C 13 177.388 0.1 . 1 . . . . 20 LYS C . 17245 1 197 . 1 1 20 20 LYS CA C 13 58.334 0.1 . 1 . . . . 20 LYS CA . 17245 1 198 . 1 1 20 20 LYS CB C 13 32.336 0.1 . 1 . . . . 20 LYS CB . 17245 1 199 . 1 1 20 20 LYS CD C 13 29.690 0.1 . 1 . . . . 20 LYS CD . 17245 1 200 . 1 1 20 20 LYS CE C 13 42.191 0.1 . 1 . . . . 20 LYS CE . 17245 1 201 . 1 1 20 20 LYS CG C 13 24.947 0.1 . 1 . . . . 20 LYS CG . 17245 1 202 . 1 1 20 20 LYS N N 15 111.226 0.1 . 1 . . . . 20 LYS N . 17245 1 203 . 1 1 21 21 VAL H H 1 7.436 0.02 . 1 . . . . 21 VAL H . 17245 1 204 . 1 1 21 21 VAL HA H 1 4.391 0.02 . 1 . . . . 21 VAL HA . 17245 1 205 . 1 1 21 21 VAL HB H 1 2.452 0.02 . 1 . . . . 21 VAL HB . 17245 1 206 . 1 1 21 21 VAL HG11 H 1 1.005 0.02 . 2 . . . . 21 VAL QG1 . 17245 1 207 . 1 1 21 21 VAL HG12 H 1 1.005 0.02 . 2 . . . . 21 VAL QG1 . 17245 1 208 . 1 1 21 21 VAL HG13 H 1 1.005 0.02 . 2 . . . . 21 VAL QG1 . 17245 1 209 . 1 1 21 21 VAL HG21 H 1 1.077 0.02 . 2 . . . . 21 VAL QG2 . 17245 1 210 . 1 1 21 21 VAL HG22 H 1 1.077 0.02 . 2 . . . . 21 VAL QG2 . 17245 1 211 . 1 1 21 21 VAL HG23 H 1 1.077 0.02 . 2 . . . . 21 VAL QG2 . 17245 1 212 . 1 1 21 21 VAL C C 13 176.862 0.1 . 1 . . . . 21 VAL C . 17245 1 213 . 1 1 21 21 VAL CA C 13 62.534 0.1 . 1 . . . . 21 VAL CA . 17245 1 214 . 1 1 21 21 VAL CB C 13 32.655 0.1 . 1 . . . . 21 VAL CB . 17245 1 215 . 1 1 21 21 VAL CG1 C 13 21.389 0.1 . 1 . . . . 21 VAL CG1 . 17245 1 216 . 1 1 21 21 VAL CG2 C 13 21.161 0.1 . 1 . . . . 21 VAL CG2 . 17245 1 217 . 1 1 21 21 VAL N N 15 112.139 0.1 . 1 . . . . 21 VAL N . 17245 1 218 . 1 1 22 22 VAL H H 1 7.715 0.02 . 1 . . . . 22 VAL H . 17245 1 219 . 1 1 22 22 VAL HA H 1 4.857 0.02 . 1 . . . . 22 VAL HA . 17245 1 220 . 1 1 22 22 VAL HB H 1 2.286 0.02 . 1 . . . . 22 VAL HB . 17245 1 221 . 1 1 22 22 VAL HG11 H 1 0.955 0.02 . 2 . . . . 22 VAL QG1 . 17245 1 222 . 1 1 22 22 VAL HG12 H 1 0.955 0.02 . 2 . . . . 22 VAL QG1 . 17245 1 223 . 1 1 22 22 VAL HG13 H 1 0.955 0.02 . 2 . . . . 22 VAL QG1 . 17245 1 224 . 1 1 22 22 VAL HG21 H 1 0.925 0.02 . 2 . . . . 22 VAL QG2 . 17245 1 225 . 1 1 22 22 VAL HG22 H 1 0.925 0.02 . 2 . . . . 22 VAL QG2 . 17245 1 226 . 1 1 22 22 VAL HG23 H 1 0.925 0.02 . 2 . . . . 22 VAL QG2 . 17245 1 227 . 1 1 22 22 VAL C C 13 174.090 0.1 . 1 . . . . 22 VAL C . 17245 1 228 . 1 1 22 22 VAL CA C 13 61.054 0.1 . 1 . . . . 22 VAL CA . 17245 1 229 . 1 1 22 22 VAL CB C 13 35.073 0.1 . 1 . . . . 22 VAL CB . 17245 1 230 . 1 1 22 22 VAL CG1 C 13 24.073 0.1 . 1 . . . . 22 VAL CG1 . 17245 1 231 . 1 1 22 22 VAL CG2 C 13 20.837 0.1 . 1 . . . . 22 VAL CG2 . 17245 1 232 . 1 1 22 22 VAL N N 15 115.844 0.1 . 1 . . . . 22 VAL N . 17245 1 233 . 1 1 23 23 ARG H H 1 9.306 0.02 . 1 . . . . 23 ARG H . 17245 1 234 . 1 1 23 23 ARG HA H 1 4.783 0.02 . 1 . . . . 23 ARG HA . 17245 1 235 . 1 1 23 23 ARG HB2 H 1 1.867 0.02 . 2 . . . . 23 ARG HB2 . 17245 1 236 . 1 1 23 23 ARG HB3 H 1 1.651 0.02 . 2 . . . . 23 ARG HB3 . 17245 1 237 . 1 1 23 23 ARG HD2 H 1 3.270 0.02 . 1 . . . . 23 ARG HD2 . 17245 1 238 . 1 1 23 23 ARG HD3 H 1 3.270 0.02 . 1 . . . . 23 ARG HD3 . 17245 1 239 . 1 1 23 23 ARG HG2 H 1 1.600 0.02 . 1 . . . . 23 ARG HG2 . 17245 1 240 . 1 1 23 23 ARG HG3 H 1 1.600 0.02 . 1 . . . . 23 ARG HG3 . 17245 1 241 . 1 1 23 23 ARG C C 13 175.301 0.1 . 1 . . . . 23 ARG C . 17245 1 242 . 1 1 23 23 ARG CA C 13 56.108 0.1 . 1 . . . . 23 ARG CA . 17245 1 243 . 1 1 23 23 ARG CB C 13 33.455 0.1 . 1 . . . . 23 ARG CB . 17245 1 244 . 1 1 23 23 ARG CD C 13 43.485 0.1 . 1 . . . . 23 ARG CD . 17245 1 245 . 1 1 23 23 ARG CG C 13 26.661 0.1 . 1 . . . . 23 ARG CG . 17245 1 246 . 1 1 23 23 ARG N N 15 118.099 0.1 . 1 . . . . 23 ARG N . 17245 1 247 . 1 1 24 24 SER H H 1 7.796 0.02 . 1 . . . . 24 SER H . 17245 1 248 . 1 1 24 24 SER HA H 1 4.814 0.02 . 1 . . . . 24 SER HA . 17245 1 249 . 1 1 24 24 SER HB2 H 1 4.086 0.02 . 2 . . . . 24 SER HB2 . 17245 1 250 . 1 1 24 24 SER HB3 H 1 3.993 0.02 . 2 . . . . 24 SER HB3 . 17245 1 251 . 1 1 24 24 SER C C 13 172.324 0.1 . 1 . . . . 24 SER C . 17245 1 252 . 1 1 24 24 SER CA C 13 58.031 0.1 . 1 . . . . 24 SER CA . 17245 1 253 . 1 1 24 24 SER CB C 13 63.898 0.1 . 1 . . . . 24 SER CB . 17245 1 254 . 1 1 24 24 SER N N 15 111.289 0.1 . 1 . . . . 24 SER N . 17245 1 255 . 1 1 25 25 TYR H H 1 8.638 0.02 . 1 . . . . 25 TYR H . 17245 1 256 . 1 1 25 25 TYR HA H 1 5.832 0.02 . 1 . . . . 25 TYR HA . 17245 1 257 . 1 1 25 25 TYR HB2 H 1 2.415 0.02 . 2 . . . . 25 TYR HB2 . 17245 1 258 . 1 1 25 25 TYR HB3 H 1 2.778 0.02 . 2 . . . . 25 TYR HB3 . 17245 1 259 . 1 1 25 25 TYR HD1 H 1 6.725 0.02 . 1 . . . . 25 TYR HD1 . 17245 1 260 . 1 1 25 25 TYR HD2 H 1 6.725 0.02 . 1 . . . . 25 TYR HD2 . 17245 1 261 . 1 1 25 25 TYR HE1 H 1 6.830 0.02 . 1 . . . . 25 TYR HE1 . 17245 1 262 . 1 1 25 25 TYR HE2 H 1 6.830 0.02 . 1 . . . . 25 TYR HE2 . 17245 1 263 . 1 1 25 25 TYR C C 13 172.718 0.1 . 1 . . . . 25 TYR C . 17245 1 264 . 1 1 25 25 TYR CA C 13 56.373 0.1 . 1 . . . . 25 TYR CA . 17245 1 265 . 1 1 25 25 TYR CB C 13 42.917 0.1 . 1 . . . . 25 TYR CB . 17245 1 266 . 1 1 25 25 TYR CD1 C 13 132.565 0.1 . 1 . . . . 25 TYR CD1 . 17245 1 267 . 1 1 25 25 TYR CE1 C 13 118.847 0.1 . 1 . . . . 25 TYR CE1 . 17245 1 268 . 1 1 25 25 TYR N N 15 116.776 0.1 . 1 . . . . 25 TYR N . 17245 1 269 . 1 1 26 26 ARG H H 1 9.006 0.02 . 1 . . . . 26 ARG H . 17245 1 270 . 1 1 26 26 ARG HA H 1 4.668 0.02 . 1 . . . . 26 ARG HA . 17245 1 271 . 1 1 26 26 ARG HB2 H 1 1.916 0.02 . 2 . . . . 26 ARG HB2 . 17245 1 272 . 1 1 26 26 ARG HB3 H 1 1.749 0.02 . 2 . . . . 26 ARG HB3 . 17245 1 273 . 1 1 26 26 ARG HD2 H 1 3.258 0.02 . 2 . . . . 26 ARG HD2 . 17245 1 274 . 1 1 26 26 ARG HD3 H 1 3.046 0.02 . 2 . . . . 26 ARG HD3 . 17245 1 275 . 1 1 26 26 ARG HG2 H 1 1.508 0.02 . 1 . . . . 26 ARG HG2 . 17245 1 276 . 1 1 26 26 ARG HG3 H 1 1.508 0.02 . 1 . . . . 26 ARG HG3 . 17245 1 277 . 1 1 26 26 ARG C C 13 173.754 0.1 . 1 . . . . 26 ARG C . 17245 1 278 . 1 1 26 26 ARG CA C 13 54.147 0.1 . 1 . . . . 26 ARG CA . 17245 1 279 . 1 1 26 26 ARG CB C 13 33.704 0.1 . 1 . . . . 26 ARG CB . 17245 1 280 . 1 1 26 26 ARG CD C 13 43.647 0.1 . 1 . . . . 26 ARG CD . 17245 1 281 . 1 1 26 26 ARG CG C 13 27.501 0.1 . 1 . . . . 26 ARG CG . 17245 1 282 . 1 1 26 26 ARG N N 15 117.893 0.1 . 1 . . . . 26 ARG N . 17245 1 283 . 1 1 27 27 LYS H H 1 8.966 0.02 . 1 . . . . 27 LYS H . 17245 1 284 . 1 1 27 27 LYS HA H 1 4.848 0.02 . 1 . . . . 27 LYS HA . 17245 1 285 . 1 1 27 27 LYS HB2 H 1 1.907 0.02 . 2 . . . . 27 LYS HB2 . 17245 1 286 . 1 1 27 27 LYS HB3 H 1 1.800 0.02 . 2 . . . . 27 LYS HB3 . 17245 1 287 . 1 1 27 27 LYS HD2 H 1 1.791 0.02 . 2 . . . . 27 LYS HD2 . 17245 1 288 . 1 1 27 27 LYS HD3 H 1 1.347 0.02 . 2 . . . . 27 LYS HD3 . 17245 1 289 . 1 1 27 27 LYS HE2 H 1 2.983 0.02 . 1 . . . . 27 LYS HE2 . 17245 1 290 . 1 1 27 27 LYS HE3 H 1 2.983 0.02 . 1 . . . . 27 LYS HE3 . 17245 1 291 . 1 1 27 27 LYS HG2 H 1 1.575 0.02 . 2 . . . . 27 LYS HG2 . 17245 1 292 . 1 1 27 27 LYS HG3 H 1 1.347 0.02 . 2 . . . . 27 LYS HG3 . 17245 1 293 . 1 1 27 27 LYS C C 13 175.695 0.1 . 1 . . . . 27 LYS C . 17245 1 294 . 1 1 27 27 LYS CA C 13 56.323 0.1 . 1 . . . . 27 LYS CA . 17245 1 295 . 1 1 27 27 LYS CB C 13 34.251 0.1 . 1 . . . . 27 LYS CB . 17245 1 296 . 1 1 27 27 LYS CD C 13 29.690 0.1 . 1 . . . . 27 LYS CD . 17245 1 297 . 1 1 27 27 LYS CE C 13 42.461 0.1 . 1 . . . . 27 LYS CE . 17245 1 298 . 1 1 27 27 LYS CG C 13 25.859 0.1 . 1 . . . . 27 LYS CG . 17245 1 299 . 1 1 27 27 LYS N N 15 120.739 0.1 . 1 . . . . 27 LYS N . 17245 1 300 . 1 1 28 28 GLN H H 1 9.025 0.02 . 1 . . . . 28 GLN H . 17245 1 301 . 1 1 28 28 GLN HA H 1 4.698 0.02 . 1 . . . . 28 GLN HA . 17245 1 302 . 1 1 28 28 GLN HB2 H 1 2.042 0.02 . 1 . . . . 28 GLN HB2 . 17245 1 303 . 1 1 28 28 GLN HB3 H 1 2.042 0.02 . 1 . . . . 28 GLN HB3 . 17245 1 304 . 1 1 28 28 GLN HG2 H 1 2.295 0.02 . 2 . . . . 28 GLN HG2 . 17245 1 305 . 1 1 28 28 GLN HG3 H 1 2.235 0.02 . 2 . . . . 28 GLN HG3 . 17245 1 306 . 1 1 28 28 GLN C C 13 174.790 0.1 . 1 . . . . 28 GLN C . 17245 1 307 . 1 1 28 28 GLN CA C 13 55.109 0.1 . 1 . . . . 28 GLN CA . 17245 1 308 . 1 1 28 28 GLN CB C 13 31.697 0.1 . 1 . . . . 28 GLN CB . 17245 1 309 . 1 1 28 28 GLN CG C 13 34.890 0.1 . 1 . . . . 28 GLN CG . 17245 1 310 . 1 1 28 28 GLN N N 15 125.996 0.1 . 1 . . . . 28 GLN N . 17245 1 311 . 1 1 29 29 GLU H H 1 8.694 0.02 . 1 . . . . 29 GLU H . 17245 1 312 . 1 1 29 29 GLU CA C 13 53.236 0.1 . 1 . . . . 29 GLU CA . 17245 1 313 . 1 1 29 29 GLU CB C 13 30.785 0.1 . 1 . . . . 29 GLU CB . 17245 1 314 . 1 1 29 29 GLU N N 15 128.410 0.1 . 1 . . . . 29 GLU N . 17245 1 315 . 1 1 30 30 PRO HA H 1 4.599 0.02 . 1 . . . . 30 PRO HA . 17245 1 316 . 1 1 30 30 PRO HB2 H 1 2.106 0.02 . 2 . . . . 30 PRO HB2 . 17245 1 317 . 1 1 30 30 PRO HB3 H 1 1.983 0.02 . 2 . . . . 30 PRO HB3 . 17245 1 318 . 1 1 30 30 PRO HD2 H 1 4.077 0.02 . 1 . . . . 30 PRO HD2 . 17245 1 319 . 1 1 30 30 PRO HD3 H 1 4.077 0.02 . 1 . . . . 30 PRO HD3 . 17245 1 320 . 1 1 30 30 PRO HG2 H 1 2.183 0.02 . 2 . . . . 30 PRO HG2 . 17245 1 321 . 1 1 30 30 PRO HG3 H 1 1.698 0.02 . 2 . . . . 30 PRO HG3 . 17245 1 322 . 1 1 30 30 PRO C C 13 176.789 0.1 . 1 . . . . 30 PRO C . 17245 1 323 . 1 1 30 30 PRO CA C 13 63.862 0.1 . 1 . . . . 30 PRO CA . 17245 1 324 . 1 1 30 30 PRO CB C 13 31.971 0.1 . 1 . . . . 30 PRO CB . 17245 1 325 . 1 1 30 30 PRO CD C 13 50.927 0.1 . 1 . . . . 30 PRO CD . 17245 1 326 . 1 1 30 30 PRO CG C 13 27.775 0.1 . 1 . . . . 30 PRO CG . 17245 1 327 . 1 1 31 31 SER H H 1 8.627 0.02 . 1 . . . . 31 SER H . 17245 1 328 . 1 1 31 31 SER HA H 1 4.527 0.02 . 1 . . . . 31 SER HA . 17245 1 329 . 1 1 31 31 SER HB2 H 1 4.020 0.02 . 2 . . . . 31 SER HB2 . 17245 1 330 . 1 1 31 31 SER HB3 H 1 3.932 0.02 . 2 . . . . 31 SER HB3 . 17245 1 331 . 1 1 31 31 SER C C 13 175.111 0.1 . 1 . . . . 31 SER C . 17245 1 332 . 1 1 31 31 SER CA C 13 58.663 0.1 . 1 . . . . 31 SER CA . 17245 1 333 . 1 1 31 31 SER CB C 13 64.628 0.1 . 1 . . . . 31 SER CB . 17245 1 334 . 1 1 31 31 SER N N 15 116.024 0.1 . 1 . . . . 31 SER N . 17245 1 335 . 1 1 32 32 LEU H H 1 8.275 0.02 . 1 . . . . 32 LEU H . 17245 1 336 . 1 1 32 32 LEU HA H 1 4.291 0.02 . 1 . . . . 32 LEU HA . 17245 1 337 . 1 1 32 32 LEU HB2 H 1 1.777 0.02 . 1 . . . . 32 LEU HB2 . 17245 1 338 . 1 1 32 32 LEU HB3 H 1 1.777 0.02 . 1 . . . . 32 LEU HB3 . 17245 1 339 . 1 1 32 32 LEU HD11 H 1 0.970 0.02 . 2 . . . . 32 LEU QD1 . 17245 1 340 . 1 1 32 32 LEU HD12 H 1 0.970 0.02 . 2 . . . . 32 LEU QD1 . 17245 1 341 . 1 1 32 32 LEU HD13 H 1 0.970 0.02 . 2 . . . . 32 LEU QD1 . 17245 1 342 . 1 1 32 32 LEU HD21 H 1 0.923 0.02 . 2 . . . . 32 LEU QD2 . 17245 1 343 . 1 1 32 32 LEU HD22 H 1 0.923 0.02 . 2 . . . . 32 LEU QD2 . 17245 1 344 . 1 1 32 32 LEU HD23 H 1 0.923 0.02 . 2 . . . . 32 LEU QD2 . 17245 1 345 . 1 1 32 32 LEU HG H 1 1.733 0.02 . 1 . . . . 32 LEU HG . 17245 1 346 . 1 1 32 32 LEU C C 13 178.147 0.1 . 1 . . . . 32 LEU C . 17245 1 347 . 1 1 32 32 LEU CA C 13 56.652 0.1 . 1 . . . . 32 LEU CA . 17245 1 348 . 1 1 32 32 LEU CB C 13 41.777 0.1 . 1 . . . . 32 LEU CB . 17245 1 349 . 1 1 32 32 LEU CD1 C 13 25.221 0.1 . 1 . . . . 32 LEU CD1 . 17245 1 350 . 1 1 32 32 LEU CD2 C 13 23.800 0.1 . 1 . . . . 32 LEU CD2 . 17245 1 351 . 1 1 32 32 LEU CG C 13 27.227 0.1 . 1 . . . . 32 LEU CG . 17245 1 352 . 1 1 32 32 LEU N N 15 121.390 0.1 . 1 . . . . 32 LEU N . 17245 1 353 . 1 1 33 33 GLY H H 1 8.276 0.02 . 1 . . . . 33 GLY H . 17245 1 354 . 1 1 33 33 GLY HA2 H 1 4.198 0.02 . 2 . . . . 33 GLY HA2 . 17245 1 355 . 1 1 33 33 GLY HA3 H 1 3.844 0.02 . 2 . . . . 33 GLY HA3 . 17245 1 356 . 1 1 33 33 GLY C C 13 174.250 0.1 . 1 . . . . 33 GLY C . 17245 1 357 . 1 1 33 33 GLY CA C 13 45.697 0.1 . 1 . . . . 33 GLY CA . 17245 1 358 . 1 1 33 33 GLY N N 15 107.745 0.1 . 1 . . . . 33 GLY N . 17245 1 359 . 1 1 34 34 CYS H H 1 7.911 0.02 . 1 . . . . 34 CYS H . 17245 1 360 . 1 1 34 34 CYS HA H 1 4.990 0.02 . 1 . . . . 34 CYS HA . 17245 1 361 . 1 1 34 34 CYS HB2 H 1 3.296 0.02 . 2 . . . . 34 CYS HB2 . 17245 1 362 . 1 1 34 34 CYS HB3 H 1 2.781 0.02 . 2 . . . . 34 CYS HB3 . 17245 1 363 . 1 1 34 34 CYS C C 13 174.921 0.1 . 1 . . . . 34 CYS C . 17245 1 364 . 1 1 34 34 CYS CA C 13 54.160 0.1 . 1 . . . . 34 CYS CA . 17245 1 365 . 1 1 34 34 CYS CB C 13 38.265 0.1 . 1 . . . . 34 CYS CB . 17245 1 366 . 1 1 34 34 CYS N N 15 119.499 0.1 . 1 . . . . 34 CYS N . 17245 1 367 . 1 1 35 35 SER H H 1 8.482 0.02 . 1 . . . . 35 SER H . 17245 1 368 . 1 1 35 35 SER HA H 1 4.437 0.02 . 1 . . . . 35 SER HA . 17245 1 369 . 1 1 35 35 SER HB2 H 1 3.973 0.02 . 1 . . . . 35 SER HB2 . 17245 1 370 . 1 1 35 35 SER HB3 H 1 3.973 0.02 . 1 . . . . 35 SER HB3 . 17245 1 371 . 1 1 35 35 SER C C 13 174.338 0.1 . 1 . . . . 35 SER C . 17245 1 372 . 1 1 35 35 SER CA C 13 60.750 0.1 . 1 . . . . 35 SER CA . 17245 1 373 . 1 1 35 35 SER CB C 13 64.172 0.1 . 1 . . . . 35 SER CB . 17245 1 374 . 1 1 35 35 SER N N 15 117.390 0.1 . 1 . . . . 35 SER N . 17245 1 375 . 1 1 36 36 ILE H H 1 7.234 0.02 . 1 . . . . 36 ILE H . 17245 1 376 . 1 1 36 36 ILE HA H 1 4.936 0.02 . 1 . . . . 36 ILE HA . 17245 1 377 . 1 1 36 36 ILE HB H 1 1.939 0.02 . 1 . . . . 36 ILE HB . 17245 1 378 . 1 1 36 36 ILE HD11 H 1 0.837 0.02 . 1 . . . . 36 ILE QD1 . 17245 1 379 . 1 1 36 36 ILE HD12 H 1 0.837 0.02 . 1 . . . . 36 ILE QD1 . 17245 1 380 . 1 1 36 36 ILE HD13 H 1 0.837 0.02 . 1 . . . . 36 ILE QD1 . 17245 1 381 . 1 1 36 36 ILE HG12 H 1 1.176 0.02 . 1 . . . . 36 ILE HG12 . 17245 1 382 . 1 1 36 36 ILE HG21 H 1 1.034 0.02 . 1 . . . . 36 ILE QG2 . 17245 1 383 . 1 1 36 36 ILE HG22 H 1 1.034 0.02 . 1 . . . . 36 ILE QG2 . 17245 1 384 . 1 1 36 36 ILE HG23 H 1 1.034 0.02 . 1 . . . . 36 ILE QG2 . 17245 1 385 . 1 1 36 36 ILE CA C 13 57.689 0.1 . 1 . . . . 36 ILE CA . 17245 1 386 . 1 1 36 36 ILE CB C 13 39.633 0.1 . 1 . . . . 36 ILE CB . 17245 1 387 . 1 1 36 36 ILE N N 15 115.115 0.1 . 1 . . . . 36 ILE N . 17245 1 388 . 1 1 37 37 PRO HA H 1 5.045 0.02 . 1 . . . . 37 PRO HA . 17245 1 389 . 1 1 37 37 PRO HB2 H 1 2.347 0.02 . 2 . . . . 37 PRO HB2 . 17245 1 390 . 1 1 37 37 PRO HB3 H 1 2.037 0.02 . 2 . . . . 37 PRO HB3 . 17245 1 391 . 1 1 37 37 PRO HD2 H 1 3.886 0.02 . 1 . . . . 37 PRO HD2 . 17245 1 392 . 1 1 37 37 PRO HD3 H 1 3.886 0.02 . 1 . . . . 37 PRO HD3 . 17245 1 393 . 1 1 37 37 PRO HG2 H 1 2.194 0.02 . 1 . . . . 37 PRO HG2 . 17245 1 394 . 1 1 37 37 PRO HG3 H 1 2.194 0.02 . 1 . . . . 37 PRO HG3 . 17245 1 395 . 1 1 37 37 PRO C C 13 176.512 0.1 . 1 . . . . 37 PRO C . 17245 1 396 . 1 1 37 37 PRO CA C 13 61.307 0.1 . 1 . . . . 37 PRO CA . 17245 1 397 . 1 1 37 37 PRO CB C 13 32.427 0.1 . 1 . . . . 37 PRO CB . 17245 1 398 . 1 1 37 37 PRO CD C 13 50.397 0.1 . 1 . . . . 37 PRO CD . 17245 1 399 . 1 1 37 37 PRO CG C 13 27.227 0.1 . 1 . . . . 37 PRO CG . 17245 1 400 . 1 1 38 38 ALA H H 1 8.878 0.02 . 1 . . . . 38 ALA H . 17245 1 401 . 1 1 38 38 ALA HA H 1 4.912 0.02 . 1 . . . . 38 ALA HA . 17245 1 402 . 1 1 38 38 ALA HB1 H 1 1.586 0.02 . 1 . . . . 38 ALA QB . 17245 1 403 . 1 1 38 38 ALA HB2 H 1 1.586 0.02 . 1 . . . . 38 ALA QB . 17245 1 404 . 1 1 38 38 ALA HB3 H 1 1.586 0.02 . 1 . . . . 38 ALA QB . 17245 1 405 . 1 1 38 38 ALA C C 13 174.469 0.1 . 1 . . . . 38 ALA C . 17245 1 406 . 1 1 38 38 ALA CA C 13 52.591 0.1 . 1 . . . . 38 ALA CA . 17245 1 407 . 1 1 38 38 ALA CB C 13 23.944 0.1 . 1 . . . . 38 ALA CB . 17245 1 408 . 1 1 38 38 ALA N N 15 121.536 0.1 . 1 . . . . 38 ALA N . 17245 1 409 . 1 1 39 39 ILE H H 1 8.699 0.02 . 1 . . . . 39 ILE H . 17245 1 410 . 1 1 39 39 ILE HA H 1 4.507 0.02 . 1 . . . . 39 ILE HA . 17245 1 411 . 1 1 39 39 ILE HB H 1 1.444 0.02 . 1 . . . . 39 ILE HB . 17245 1 412 . 1 1 39 39 ILE HD11 H 1 -0.081 0.02 . 1 . . . . 39 ILE QD1 . 17245 1 413 . 1 1 39 39 ILE HD12 H 1 -0.081 0.02 . 1 . . . . 39 ILE QD1 . 17245 1 414 . 1 1 39 39 ILE HD13 H 1 -0.081 0.02 . 1 . . . . 39 ILE QD1 . 17245 1 415 . 1 1 39 39 ILE HG12 H 1 1.186 0.02 . 2 . . . . 39 ILE HG12 . 17245 1 416 . 1 1 39 39 ILE HG13 H 1 1.176 0.02 . 2 . . . . 39 ILE HG13 . 17245 1 417 . 1 1 39 39 ILE HG21 H 1 0.674 0.02 . 1 . . . . 39 ILE QG2 . 17245 1 418 . 1 1 39 39 ILE HG22 H 1 0.674 0.02 . 1 . . . . 39 ILE QG2 . 17245 1 419 . 1 1 39 39 ILE HG23 H 1 0.674 0.02 . 1 . . . . 39 ILE QG2 . 17245 1 420 . 1 1 39 39 ILE C C 13 173.754 0.1 . 1 . . . . 39 ILE C . 17245 1 421 . 1 1 39 39 ILE CA C 13 58.334 0.1 . 1 . . . . 39 ILE CA . 17245 1 422 . 1 1 39 39 ILE CB C 13 36.806 0.1 . 1 . . . . 39 ILE CB . 17245 1 423 . 1 1 39 39 ILE CD1 C 13 17.925 0.1 . 1 . . . . 39 ILE CD1 . 17245 1 424 . 1 1 39 39 ILE CG1 C 13 26.661 0.1 . 1 . . . . 39 ILE CG1 . 17245 1 425 . 1 1 39 39 ILE CG2 C 13 9.513 0.1 . 1 . . . . 39 ILE CG2 . 17245 1 426 . 1 1 39 39 ILE N N 15 121.126 0.1 . 1 . . . . 39 ILE N . 17245 1 427 . 1 1 40 40 LEU H H 1 8.739 0.02 . 1 . . . . 40 LEU H . 17245 1 428 . 1 1 40 40 LEU HA H 1 5.385 0.02 . 1 . . . . 40 LEU HA . 17245 1 429 . 1 1 40 40 LEU HB2 H 1 1.738 0.02 . 2 . . . . 40 LEU HB2 . 17245 1 430 . 1 1 40 40 LEU HB3 H 1 1.280 0.02 . 2 . . . . 40 LEU HB3 . 17245 1 431 . 1 1 40 40 LEU HD11 H 1 0.895 0.02 . 2 . . . . 40 LEU QD1 . 17245 1 432 . 1 1 40 40 LEU HD12 H 1 0.895 0.02 . 2 . . . . 40 LEU QD1 . 17245 1 433 . 1 1 40 40 LEU HD13 H 1 0.895 0.02 . 2 . . . . 40 LEU QD1 . 17245 1 434 . 1 1 40 40 LEU HD21 H 1 0.907 0.02 . 2 . . . . 40 LEU QD2 . 17245 1 435 . 1 1 40 40 LEU HD22 H 1 0.907 0.02 . 2 . . . . 40 LEU QD2 . 17245 1 436 . 1 1 40 40 LEU HD23 H 1 0.907 0.02 . 2 . . . . 40 LEU QD2 . 17245 1 437 . 1 1 40 40 LEU HG H 1 1.717 0.02 . 1 . . . . 40 LEU HG . 17245 1 438 . 1 1 40 40 LEU C C 13 177.067 0.1 . 1 . . . . 40 LEU C . 17245 1 439 . 1 1 40 40 LEU CA C 13 52.541 0.1 . 1 . . . . 40 LEU CA . 17245 1 440 . 1 1 40 40 LEU CB C 13 42.300 0.1 . 1 . . . . 40 LEU CB . 17245 1 441 . 1 1 40 40 LEU CD1 C 13 26.133 0.1 . 1 . . . . 40 LEU CD1 . 17245 1 442 . 1 1 40 40 LEU CD2 C 13 25.367 0.1 . 1 . . . . 40 LEU CD2 . 17245 1 443 . 1 1 40 40 LEU CG C 13 28.687 0.1 . 1 . . . . 40 LEU CG . 17245 1 444 . 1 1 40 40 LEU N N 15 127.048 0.1 . 1 . . . . 40 LEU N . 17245 1 445 . 1 1 41 41 PHE H H 1 9.663 0.02 . 1 . . . . 41 PHE H . 17245 1 446 . 1 1 41 41 PHE HA H 1 5.190 0.02 . 1 . . . . 41 PHE HA . 17245 1 447 . 1 1 41 41 PHE HB2 H 1 3.045 0.02 . 2 . . . . 41 PHE HB2 . 17245 1 448 . 1 1 41 41 PHE HB3 H 1 3.094 0.02 . 2 . . . . 41 PHE HB3 . 17245 1 449 . 1 1 41 41 PHE HD1 H 1 7.170 0.02 . 1 . . . . 41 PHE HD1 . 17245 1 450 . 1 1 41 41 PHE HE1 H 1 6.835 0.02 . 1 . . . . 41 PHE HE1 . 17245 1 451 . 1 1 41 41 PHE HZ H 1 7.110 0.02 . 1 . . . . 41 PHE HZ . 17245 1 452 . 1 1 41 41 PHE C C 13 174.849 0.1 . 1 . . . . 41 PHE C . 17245 1 453 . 1 1 41 41 PHE CA C 13 58.157 0.1 . 1 . . . . 41 PHE CA . 17245 1 454 . 1 1 41 41 PHE CB C 13 42.096 0.1 . 1 . . . . 41 PHE CB . 17245 1 455 . 1 1 41 41 PHE CD1 C 13 132.047 0.1 . 1 . . . . 41 PHE CD1 . 17245 1 456 . 1 1 41 41 PHE CE1 C 13 130.494 0.1 . 1 . . . . 41 PHE CE1 . 17245 1 457 . 1 1 41 41 PHE CZ C 13 130.494 0.1 . 1 . . . . 41 PHE CZ . 17245 1 458 . 1 1 41 41 PHE N N 15 122.988 0.1 . 1 . . . . 41 PHE N . 17245 1 459 . 1 1 42 42 LEU H H 1 8.873 0.02 . 1 . . . . 42 LEU H . 17245 1 460 . 1 1 42 42 LEU HB2 H 1 1.737 0.02 . 1 . . . . 42 LEU HB2 . 17245 1 461 . 1 1 42 42 LEU HB3 H 1 1.737 0.02 . 1 . . . . 42 LEU HB3 . 17245 1 462 . 1 1 42 42 LEU HD11 H 1 0.946 0.02 . 1 . . . . 42 LEU QD1 . 17245 1 463 . 1 1 42 42 LEU HD12 H 1 0.946 0.02 . 1 . . . . 42 LEU QD1 . 17245 1 464 . 1 1 42 42 LEU HD13 H 1 0.946 0.02 . 1 . . . . 42 LEU QD1 . 17245 1 465 . 1 1 42 42 LEU HG H 1 1.925 0.02 . 1 . . . . 42 LEU HG . 17245 1 466 . 1 1 42 42 LEU CA C 13 52.528 0.1 . 1 . . . . 42 LEU CA . 17245 1 467 . 1 1 42 42 LEU CB C 13 42.370 0.1 . 1 . . . . 42 LEU CB . 17245 1 468 . 1 1 42 42 LEU N N 15 126.704 0.1 . 1 . . . . 42 LEU N . 17245 1 469 . 1 1 43 43 PRO HA H 1 4.921 0.02 . 1 . . . . 43 PRO HA . 17245 1 470 . 1 1 43 43 PRO HB2 H 1 2.410 0.02 . 2 . . . . 43 PRO HB2 . 17245 1 471 . 1 1 43 43 PRO HB3 H 1 2.275 0.02 . 2 . . . . 43 PRO HB3 . 17245 1 472 . 1 1 43 43 PRO HD2 H 1 4.382 0.02 . 1 . . . . 43 PRO HD2 . 17245 1 473 . 1 1 43 43 PRO HD3 H 1 4.382 0.02 . 1 . . . . 43 PRO HD3 . 17245 1 474 . 1 1 43 43 PRO HG2 H 1 1.893 0.02 . 1 . . . . 43 PRO HG2 . 17245 1 475 . 1 1 43 43 PRO HG3 H 1 1.893 0.02 . 1 . . . . 43 PRO HG3 . 17245 1 476 . 1 1 43 43 PRO C C 13 176.031 0.1 . 1 . . . . 43 PRO C . 17245 1 477 . 1 1 43 43 PRO CA C 13 62.575 0.1 . 1 . . . . 43 PRO CA . 17245 1 478 . 1 1 43 43 PRO CB C 13 32.808 0.1 . 1 . . . . 43 PRO CB . 17245 1 479 . 1 1 43 43 PRO CD C 13 52.221 0.1 . 1 . . . . 43 PRO CD . 17245 1 480 . 1 1 43 43 PRO CG C 13 28.048 0.1 . 1 . . . . 43 PRO CG . 17245 1 481 . 1 1 44 44 ARG H H 1 8.339 0.02 . 1 . . . . 44 ARG H . 17245 1 482 . 1 1 44 44 ARG HA H 1 3.942 0.02 . 1 . . . . 44 ARG HA . 17245 1 483 . 1 1 44 44 ARG HB2 H 1 1.886 0.02 . 2 . . . . 44 ARG HB2 . 17245 1 484 . 1 1 44 44 ARG HB3 H 1 1.634 0.02 . 2 . . . . 44 ARG HB3 . 17245 1 485 . 1 1 44 44 ARG HD2 H 1 3.255 0.02 . 1 . . . . 44 ARG HD2 . 17245 1 486 . 1 1 44 44 ARG HD3 H 1 3.255 0.02 . 1 . . . . 44 ARG HD3 . 17245 1 487 . 1 1 44 44 ARG HG2 H 1 1.471 0.02 . 1 . . . . 44 ARG HG2 . 17245 1 488 . 1 1 44 44 ARG HG3 H 1 1.471 0.02 . 1 . . . . 44 ARG HG3 . 17245 1 489 . 1 1 44 44 ARG C C 13 176.965 0.1 . 1 . . . . 44 ARG C . 17245 1 490 . 1 1 44 44 ARG CA C 13 59.220 0.1 . 1 . . . . 44 ARG CA . 17245 1 491 . 1 1 44 44 ARG CB C 13 30.557 0.1 . 1 . . . . 44 ARG CB . 17245 1 492 . 1 1 44 44 ARG CD C 13 43.282 0.1 . 1 . . . . 44 ARG CD . 17245 1 493 . 1 1 44 44 ARG CG C 13 28.869 0.1 . 1 . . . . 44 ARG CG . 17245 1 494 . 1 1 44 44 ARG N N 15 119.912 0.1 . 1 . . . . 44 ARG N . 17245 1 495 . 1 1 45 45 LYS H H 1 8.006 0.02 . 1 . . . . 45 LYS H . 17245 1 496 . 1 1 45 45 LYS HA H 1 4.415 0.02 . 1 . . . . 45 LYS HA . 17245 1 497 . 1 1 45 45 LYS HB2 H 1 1.953 0.02 . 2 . . . . 45 LYS HB2 . 17245 1 498 . 1 1 45 45 LYS HB3 H 1 1.938 0.02 . 2 . . . . 45 LYS HB3 . 17245 1 499 . 1 1 45 45 LYS HD2 H 1 1.753 0.02 . 1 . . . . 45 LYS HD2 . 17245 1 500 . 1 1 45 45 LYS HD3 H 1 1.753 0.02 . 1 . . . . 45 LYS HD3 . 17245 1 501 . 1 1 45 45 LYS HE2 H 1 2.416 0.02 . 1 . . . . 45 LYS HE2 . 17245 1 502 . 1 1 45 45 LYS HE3 H 1 2.416 0.02 . 1 . . . . 45 LYS HE3 . 17245 1 503 . 1 1 45 45 LYS HG2 H 1 1.519 0.02 . 1 . . . . 45 LYS HG2 . 17245 1 504 . 1 1 45 45 LYS HG3 H 1 1.519 0.02 . 1 . . . . 45 LYS HG3 . 17245 1 505 . 1 1 45 45 LYS C C 13 176.264 0.1 . 1 . . . . 45 LYS C . 17245 1 506 . 1 1 45 45 LYS CA C 13 56.298 0.1 . 1 . . . . 45 LYS CA . 17245 1 507 . 1 1 45 45 LYS CB C 13 32.450 0.1 . 1 . . . . 45 LYS CB . 17245 1 508 . 1 1 45 45 LYS CD C 13 29.782 0.1 . 1 . . . . 45 LYS CD . 17245 1 509 . 1 1 45 45 LYS CE C 13 42.644 0.1 . 1 . . . . 45 LYS CE . 17245 1 510 . 1 1 45 45 LYS CG C 13 25.129 0.1 . 1 . . . . 45 LYS CG . 17245 1 511 . 1 1 45 45 LYS N N 15 118.973 0.1 . 1 . . . . 45 LYS N . 17245 1 512 . 1 1 46 46 ARG H H 1 8.432 0.02 . 1 . . . . 46 ARG H . 17245 1 513 . 1 1 46 46 ARG HA H 1 4.181 0.02 . 1 . . . . 46 ARG HA . 17245 1 514 . 1 1 46 46 ARG HB2 H 1 1.924 0.02 . 1 . . . . 46 ARG HB2 . 17245 1 515 . 1 1 46 46 ARG HB3 H 1 1.924 0.02 . 1 . . . . 46 ARG HB3 . 17245 1 516 . 1 1 46 46 ARG HD2 H 1 3.276 0.02 . 1 . . . . 46 ARG HD2 . 17245 1 517 . 1 1 46 46 ARG HD3 H 1 3.276 0.02 . 1 . . . . 46 ARG HD3 . 17245 1 518 . 1 1 46 46 ARG HG2 H 1 1.815 0.02 . 1 . . . . 46 ARG HG2 . 17245 1 519 . 1 1 46 46 ARG HG3 H 1 1.815 0.02 . 1 . . . . 46 ARG HG3 . 17245 1 520 . 1 1 46 46 ARG C C 13 176.556 0.1 . 1 . . . . 46 ARG C . 17245 1 521 . 1 1 46 46 ARG CA C 13 58.043 0.1 . 1 . . . . 46 ARG CA . 17245 1 522 . 1 1 46 46 ARG CB C 13 30.329 0.1 . 1 . . . . 46 ARG CB . 17245 1 523 . 1 1 46 46 ARG CD C 13 43.282 0.1 . 1 . . . . 46 ARG CD . 17245 1 524 . 1 1 46 46 ARG CG C 13 27.410 0.1 . 1 . . . . 46 ARG CG . 17245 1 525 . 1 1 46 46 ARG N N 15 124.531 0.1 . 1 . . . . 46 ARG N . 17245 1 526 . 1 1 47 47 SER H H 1 8.139 0.02 . 1 . . . . 47 SER H . 17245 1 527 . 1 1 47 47 SER HA H 1 4.322 0.02 . 1 . . . . 47 SER HA . 17245 1 528 . 1 1 47 47 SER HB2 H 1 4.106 0.02 . 2 . . . . 47 SER HB2 . 17245 1 529 . 1 1 47 47 SER HB3 H 1 3.951 0.02 . 2 . . . . 47 SER HB3 . 17245 1 530 . 1 1 47 47 SER C C 13 174.133 0.1 . 1 . . . . 47 SER C . 17245 1 531 . 1 1 47 47 SER CA C 13 58.714 0.1 . 1 . . . . 47 SER CA . 17245 1 532 . 1 1 47 47 SER CB C 13 63.168 0.1 . 1 . . . . 47 SER CB . 17245 1 533 . 1 1 47 47 SER N N 15 112.497 0.1 . 1 . . . . 47 SER N . 17245 1 534 . 1 1 48 48 GLN H H 1 7.701 0.02 . 1 . . . . 48 GLN H . 17245 1 535 . 1 1 48 48 GLN HA H 1 4.500 0.02 . 1 . . . . 48 GLN HA . 17245 1 536 . 1 1 48 48 GLN HB2 H 1 2.234 0.02 . 2 . . . . 48 GLN HB2 . 17245 1 537 . 1 1 48 48 GLN HB3 H 1 2.006 0.02 . 2 . . . . 48 GLN HB3 . 17245 1 538 . 1 1 48 48 GLN HG2 H 1 2.455 0.02 . 1 . . . . 48 GLN HG2 . 17245 1 539 . 1 1 48 48 GLN HG3 H 1 2.455 0.02 . 1 . . . . 48 GLN HG3 . 17245 1 540 . 1 1 48 48 GLN C C 13 174.586 0.1 . 1 . . . . 48 GLN C . 17245 1 541 . 1 1 48 48 GLN CA C 13 55.083 0.1 . 1 . . . . 48 GLN CA . 17245 1 542 . 1 1 48 48 GLN CB C 13 30.329 0.1 . 1 . . . . 48 GLN CB . 17245 1 543 . 1 1 48 48 GLN CG C 13 34.343 0.1 . 1 . . . . 48 GLN CG . 17245 1 544 . 1 1 48 48 GLN N N 15 121.116 0.1 . 1 . . . . 48 GLN N . 17245 1 545 . 1 1 49 49 ALA H H 1 8.176 0.02 . 1 . . . . 49 ALA H . 17245 1 546 . 1 1 49 49 ALA HA H 1 4.380 0.02 . 1 . . . . 49 ALA HA . 17245 1 547 . 1 1 49 49 ALA HB1 H 1 1.513 0.02 . 1 . . . . 49 ALA QB . 17245 1 548 . 1 1 49 49 ALA HB2 H 1 1.513 0.02 . 1 . . . . 49 ALA QB . 17245 1 549 . 1 1 49 49 ALA HB3 H 1 1.513 0.02 . 1 . . . . 49 ALA QB . 17245 1 550 . 1 1 49 49 ALA C C 13 177.388 0.1 . 1 . . . . 49 ALA C . 17245 1 551 . 1 1 49 49 ALA CA C 13 52.060 0.1 . 1 . . . . 49 ALA CA . 17245 1 552 . 1 1 49 49 ALA CB C 13 20.112 0.1 . 1 . . . . 49 ALA CB . 17245 1 553 . 1 1 49 49 ALA N N 15 124.481 0.1 . 1 . . . . 49 ALA N . 17245 1 554 . 1 1 50 50 GLU H H 1 8.400 0.02 . 1 . . . . 50 GLU H . 17245 1 555 . 1 1 50 50 GLU HA H 1 4.459 0.02 . 1 . . . . 50 GLU HA . 17245 1 556 . 1 1 50 50 GLU HB2 H 1 2.043 0.02 . 2 . . . . 50 GLU HB2 . 17245 1 557 . 1 1 50 50 GLU HB3 H 1 1.896 0.02 . 2 . . . . 50 GLU HB3 . 17245 1 558 . 1 1 50 50 GLU HG2 H 1 2.531 0.02 . 2 . . . . 50 GLU HG2 . 17245 1 559 . 1 1 50 50 GLU HG3 H 1 2.238 0.02 . 2 . . . . 50 GLU HG3 . 17245 1 560 . 1 1 50 50 GLU C C 13 176.498 0.1 . 1 . . . . 50 GLU C . 17245 1 561 . 1 1 50 50 GLU CA C 13 57.360 0.1 . 1 . . . . 50 GLU CA . 17245 1 562 . 1 1 50 50 GLU CB C 13 31.450 0.1 . 1 . . . . 50 GLU CB . 17245 1 563 . 1 1 50 50 GLU CG C 13 37.991 0.1 . 1 . . . . 50 GLU CG . 17245 1 564 . 1 1 50 50 GLU N N 15 117.121 0.1 . 1 . . . . 50 GLU N . 17245 1 565 . 1 1 51 51 LEU H H 1 8.869 0.02 . 1 . . . . 51 LEU H . 17245 1 566 . 1 1 51 51 LEU HA H 1 4.773 0.02 . 1 . . . . 51 LEU HA . 17245 1 567 . 1 1 51 51 LEU HB2 H 1 1.993 0.02 . 2 . . . . 51 LEU HB2 . 17245 1 568 . 1 1 51 51 LEU HB3 H 1 1.820 0.02 . 2 . . . . 51 LEU HB3 . 17245 1 569 . 1 1 51 51 LEU HD11 H 1 1.035 0.02 . 2 . . . . 51 LEU QD1 . 17245 1 570 . 1 1 51 51 LEU HD12 H 1 1.035 0.02 . 2 . . . . 51 LEU QD1 . 17245 1 571 . 1 1 51 51 LEU HD13 H 1 1.035 0.02 . 2 . . . . 51 LEU QD1 . 17245 1 572 . 1 1 51 51 LEU HD21 H 1 1.095 0.02 . 2 . . . . 51 LEU QD2 . 17245 1 573 . 1 1 51 51 LEU HD22 H 1 1.095 0.02 . 2 . . . . 51 LEU QD2 . 17245 1 574 . 1 1 51 51 LEU HD23 H 1 1.095 0.02 . 2 . . . . 51 LEU QD2 . 17245 1 575 . 1 1 51 51 LEU HG H 1 1.924 0.02 . 1 . . . . 51 LEU HG . 17245 1 576 . 1 1 51 51 LEU C C 13 175.578 0.1 . 1 . . . . 51 LEU C . 17245 1 577 . 1 1 51 51 LEU CA C 13 54.400 0.1 . 1 . . . . 51 LEU CA . 17245 1 578 . 1 1 51 51 LEU CB C 13 44.651 0.1 . 1 . . . . 51 LEU CB . 17245 1 579 . 1 1 51 51 LEU CD1 C 13 26.224 0.1 . 1 . . . . 51 LEU CD1 . 17245 1 580 . 1 1 51 51 LEU CD2 C 13 24.300 0.1 . 1 . . . . 51 LEU CD2 . 17245 1 581 . 1 1 51 51 LEU CG C 13 27.700 0.1 . 1 . . . . 51 LEU CG . 17245 1 582 . 1 1 51 51 LEU N N 15 123.543 0.1 . 1 . . . . 51 LEU N . 17245 1 583 . 1 1 52 52 CYS H H 1 9.164 0.02 . 1 . . . . 52 CYS H . 17245 1 584 . 1 1 52 52 CYS HA H 1 5.318 0.02 . 1 . . . . 52 CYS HA . 17245 1 585 . 1 1 52 52 CYS HB2 H 1 3.490 0.02 . 2 . . . . 52 CYS HB2 . 17245 1 586 . 1 1 52 52 CYS HB3 H 1 3.345 0.02 . 2 . . . . 52 CYS HB3 . 17245 1 587 . 1 1 52 52 CYS C C 13 173.229 0.1 . 1 . . . . 52 CYS C . 17245 1 588 . 1 1 52 52 CYS CA C 13 54.805 0.1 . 1 . . . . 52 CYS CA . 17245 1 589 . 1 1 52 52 CYS CB C 13 42.515 0.1 . 1 . . . . 52 CYS CB . 17245 1 590 . 1 1 52 52 CYS N N 15 124.061 0.1 . 1 . . . . 52 CYS N . 17245 1 591 . 1 1 53 53 ALA H H 1 9.900 0.02 . 1 . . . . 53 ALA H . 17245 1 592 . 1 1 53 53 ALA HA H 1 5.007 0.02 . 1 . . . . 53 ALA HA . 17245 1 593 . 1 1 53 53 ALA HB1 H 1 1.459 0.02 . 1 . . . . 53 ALA QB . 17245 1 594 . 1 1 53 53 ALA HB2 H 1 1.459 0.02 . 1 . . . . 53 ALA QB . 17245 1 595 . 1 1 53 53 ALA HB3 H 1 1.459 0.02 . 1 . . . . 53 ALA QB . 17245 1 596 . 1 1 53 53 ALA C C 13 173.973 0.1 . 1 . . . . 53 ALA C . 17245 1 597 . 1 1 53 53 ALA CA C 13 51.175 0.1 . 1 . . . . 53 ALA CA . 17245 1 598 . 1 1 53 53 ALA CB C 13 25.221 0.1 . 1 . . . . 53 ALA CB . 17245 1 599 . 1 1 53 53 ALA N N 15 130.861 0.1 . 1 . . . . 53 ALA N . 17245 1 600 . 1 1 54 54 ASP H H 1 8.390 0.02 . 1 . . . . 54 ASP H . 17245 1 601 . 1 1 54 54 ASP CA C 13 50.909 0.1 . 1 . . . . 54 ASP CA . 17245 1 602 . 1 1 54 54 ASP CB C 13 41.458 0.1 . 1 . . . . 54 ASP CB . 17245 1 603 . 1 1 54 54 ASP N N 15 121.456 0.1 . 1 . . . . 54 ASP N . 17245 1 604 . 1 1 55 55 PRO HA H 1 3.933 0.02 . 1 . . . . 55 PRO HA . 17245 1 605 . 1 1 55 55 PRO HB2 H 1 1.869 0.02 . 2 . . . . 55 PRO HB2 . 17245 1 606 . 1 1 55 55 PRO HB3 H 1 2.178 0.02 . 2 . . . . 55 PRO HB3 . 17245 1 607 . 1 1 55 55 PRO C C 13 177.081 0.1 . 1 . . . . 55 PRO C . 17245 1 608 . 1 1 55 55 PRO CA C 13 63.811 0.1 . 1 . . . . 55 PRO CA . 17245 1 609 . 1 1 55 55 PRO CB C 13 32.518 0.1 . 1 . . . . 55 PRO CB . 17245 1 610 . 1 1 55 55 PRO CD C 13 51.127 0.1 . 1 . . . . 55 PRO CD . 17245 1 611 . 1 1 55 55 PRO CG C 13 27.045 0.1 . 1 . . . . 55 PRO CG . 17245 1 612 . 1 1 56 56 LYS H H 1 8.151 0.02 . 1 . . . . 56 LYS H . 17245 1 613 . 1 1 56 56 LYS HA H 1 3.939 0.02 . 1 . . . . 56 LYS HA . 17245 1 614 . 1 1 56 56 LYS HB2 H 1 1.748 0.02 . 1 . . . . 56 LYS HB2 . 17245 1 615 . 1 1 56 56 LYS HB3 H 1 1.748 0.02 . 1 . . . . 56 LYS HB3 . 17245 1 616 . 1 1 56 56 LYS HD2 H 1 1.778 0.02 . 1 . . . . 56 LYS HD2 . 17245 1 617 . 1 1 56 56 LYS HD3 H 1 1.778 0.02 . 1 . . . . 56 LYS HD3 . 17245 1 618 . 1 1 56 56 LYS HE2 H 1 3.036 0.02 . 1 . . . . 56 LYS HE2 . 17245 1 619 . 1 1 56 56 LYS HE3 H 1 3.036 0.02 . 1 . . . . 56 LYS HE3 . 17245 1 620 . 1 1 56 56 LYS HG2 H 1 1.397 0.02 . 1 . . . . 56 LYS HG2 . 17245 1 621 . 1 1 56 56 LYS HG3 H 1 1.397 0.02 . 1 . . . . 56 LYS HG3 . 17245 1 622 . 1 1 56 56 LYS C C 13 177.811 0.1 . 1 . . . . 56 LYS C . 17245 1 623 . 1 1 56 56 LYS CA C 13 57.031 0.1 . 1 . . . . 56 LYS CA . 17245 1 624 . 1 1 56 56 LYS CB C 13 32.336 0.1 . 1 . . . . 56 LYS CB . 17245 1 625 . 1 1 56 56 LYS CD C 13 28.961 0.1 . 1 . . . . 56 LYS CD . 17245 1 626 . 1 1 56 56 LYS CE C 13 41.868 0.1 . 1 . . . . 56 LYS CE . 17245 1 627 . 1 1 56 56 LYS CG C 13 24.720 0.1 . 1 . . . . 56 LYS CG . 17245 1 628 . 1 1 56 56 LYS N N 15 114.169 0.1 . 1 . . . . 56 LYS N . 17245 1 629 . 1 1 57 57 GLU H H 1 7.262 0.02 . 1 . . . . 57 GLU H . 17245 1 630 . 1 1 57 57 GLU HA H 1 4.158 0.02 . 1 . . . . 57 GLU HA . 17245 1 631 . 1 1 57 57 GLU HB2 H 1 1.757 0.02 . 2 . . . . 57 GLU HB2 . 17245 1 632 . 1 1 57 57 GLU HB3 H 1 1.583 0.02 . 2 . . . . 57 GLU HB3 . 17245 1 633 . 1 1 57 57 GLU HG2 H 1 2.394 0.02 . 2 . . . . 57 GLU HG2 . 17245 1 634 . 1 1 57 57 GLU HG3 H 1 2.125 0.02 . 2 . . . . 57 GLU HG3 . 17245 1 635 . 1 1 57 57 GLU C C 13 177.490 0.1 . 1 . . . . 57 GLU C . 17245 1 636 . 1 1 57 57 GLU CA C 13 56.070 0.1 . 1 . . . . 57 GLU CA . 17245 1 637 . 1 1 57 57 GLU CB C 13 30.420 0.1 . 1 . . . . 57 GLU CB . 17245 1 638 . 1 1 57 57 GLU CG C 13 36.806 0.1 . 1 . . . . 57 GLU CG . 17245 1 639 . 1 1 57 57 GLU N N 15 118.919 0.1 . 1 . . . . 57 GLU N . 17245 1 640 . 1 1 58 58 LEU H H 1 8.790 0.02 . 1 . . . . 58 LEU H . 17245 1 641 . 1 1 58 58 LEU HA H 1 3.973 0.02 . 1 . . . . 58 LEU HA . 17245 1 642 . 1 1 58 58 LEU HB2 H 1 1.847 0.02 . 2 . . . . 58 LEU HB2 . 17245 1 643 . 1 1 58 58 LEU HB3 H 1 1.751 0.02 . 2 . . . . 58 LEU HB3 . 17245 1 644 . 1 1 58 58 LEU HD11 H 1 0.998 0.02 . 2 . . . . 58 LEU QD1 . 17245 1 645 . 1 1 58 58 LEU HD12 H 1 0.998 0.02 . 2 . . . . 58 LEU QD1 . 17245 1 646 . 1 1 58 58 LEU HD13 H 1 0.998 0.02 . 2 . . . . 58 LEU QD1 . 17245 1 647 . 1 1 58 58 LEU HD21 H 1 0.951 0.02 . 2 . . . . 58 LEU QD2 . 17245 1 648 . 1 1 58 58 LEU HD22 H 1 0.951 0.02 . 2 . . . . 58 LEU QD2 . 17245 1 649 . 1 1 58 58 LEU HD23 H 1 0.951 0.02 . 2 . . . . 58 LEU QD2 . 17245 1 650 . 1 1 58 58 LEU HG H 1 1.601 0.02 . 1 . . . . 58 LEU HG . 17245 1 651 . 1 1 58 58 LEU C C 13 179.898 0.1 . 1 . . . . 58 LEU C . 17245 1 652 . 1 1 58 58 LEU CA C 13 58.688 0.1 . 1 . . . . 58 LEU CA . 17245 1 653 . 1 1 58 58 LEU CB C 13 41.275 0.1 . 1 . . . . 58 LEU CB . 17245 1 654 . 1 1 58 58 LEU CD1 C 13 23.425 0.1 . 1 . . . . 58 LEU CD1 . 17245 1 655 . 1 1 58 58 LEU CD2 C 13 24.720 0.1 . 1 . . . . 58 LEU CD2 . 17245 1 656 . 1 1 58 58 LEU CG C 13 27.308 0.1 . 1 . . . . 58 LEU CG . 17245 1 657 . 1 1 58 58 LEU N N 15 127.225 0.1 . 1 . . . . 58 LEU N . 17245 1 658 . 1 1 59 59 TRP H H 1 8.703 0.02 . 1 . . . . 59 TRP H . 17245 1 659 . 1 1 59 59 TRP HA H 1 4.501 0.02 . 1 . . . . 59 TRP HA . 17245 1 660 . 1 1 59 59 TRP HB2 H 1 3.551 0.02 . 2 . . . . 59 TRP HB2 . 17245 1 661 . 1 1 59 59 TRP HB3 H 1 3.294 0.02 . 2 . . . . 59 TRP HB3 . 17245 1 662 . 1 1 59 59 TRP HD1 H 1 7.712 0.02 . 1 . . . . 59 TRP HD1 . 17245 1 663 . 1 1 59 59 TRP HE1 H 1 10.415 0.02 . 1 . . . . 59 TRP HE1 . 17245 1 664 . 1 1 59 59 TRP HE3 H 1 7.305 0.02 . 1 . . . . 59 TRP HE3 . 17245 1 665 . 1 1 59 59 TRP HH2 H 1 7.043 0.02 . 1 . . . . 59 TRP HH2 . 17245 1 666 . 1 1 59 59 TRP HZ2 H 1 7.460 0.02 . 1 . . . . 59 TRP HZ2 . 17245 1 667 . 1 1 59 59 TRP HZ3 H 1 6.682 0.02 . 1 . . . . 59 TRP HZ3 . 17245 1 668 . 1 1 59 59 TRP C C 13 178.599 0.1 . 1 . . . . 59 TRP C . 17245 1 669 . 1 1 59 59 TRP CA C 13 59.662 0.1 . 1 . . . . 59 TRP CA . 17245 1 670 . 1 1 59 59 TRP CB C 13 27.136 0.1 . 1 . . . . 59 TRP CB . 17245 1 671 . 1 1 59 59 TRP CD1 C 13 128.941 0.1 . 1 . . . . 59 TRP CD1 . 17245 1 672 . 1 1 59 59 TRP CE3 C 13 120.659 0.1 . 1 . . . . 59 TRP CE3 . 17245 1 673 . 1 1 59 59 TRP CH2 C 13 124.541 0.1 . 1 . . . . 59 TRP CH2 . 17245 1 674 . 1 1 59 59 TRP CZ2 C 13 116.517 0.1 . 1 . . . . 59 TRP CZ2 . 17245 1 675 . 1 1 59 59 TRP CZ3 C 13 120.917 0.1 . 1 . . . . 59 TRP CZ3 . 17245 1 676 . 1 1 59 59 TRP N N 15 115.725 0.1 . 1 . . . . 59 TRP N . 17245 1 677 . 1 1 59 59 TRP NE1 N 15 130.913 0.1 . 1 . . . . 59 TRP NE1 . 17245 1 678 . 1 1 60 60 VAL H H 1 6.025 0.02 . 1 . . . . 60 VAL H . 17245 1 679 . 1 1 60 60 VAL HA H 1 2.940 0.02 . 1 . . . . 60 VAL HA . 17245 1 680 . 1 1 60 60 VAL HB H 1 1.958 0.02 . 1 . . . . 60 VAL HB . 17245 1 681 . 1 1 60 60 VAL HG11 H 1 0.528 0.02 . 2 . . . . 60 VAL QG1 . 17245 1 682 . 1 1 60 60 VAL HG12 H 1 0.528 0.02 . 2 . . . . 60 VAL QG1 . 17245 1 683 . 1 1 60 60 VAL HG13 H 1 0.528 0.02 . 2 . . . . 60 VAL QG1 . 17245 1 684 . 1 1 60 60 VAL HG21 H 1 -0.592 0.02 . 2 . . . . 60 VAL QG2 . 17245 1 685 . 1 1 60 60 VAL HG22 H 1 -0.592 0.02 . 2 . . . . 60 VAL QG2 . 17245 1 686 . 1 1 60 60 VAL HG23 H 1 -0.592 0.02 . 2 . . . . 60 VAL QG2 . 17245 1 687 . 1 1 60 60 VAL C C 13 177.504 0.1 . 1 . . . . 60 VAL C . 17245 1 688 . 1 1 60 60 VAL CA C 13 65.996 0.1 . 1 . . . . 60 VAL CA . 17245 1 689 . 1 1 60 60 VAL CB C 13 31.332 0.1 . 1 . . . . 60 VAL CB . 17245 1 690 . 1 1 60 60 VAL CG1 C 13 21.161 0.1 . 1 . . . . 60 VAL CG1 . 17245 1 691 . 1 1 60 60 VAL CG2 C 13 21.806 0.1 . 1 . . . . 60 VAL CG2 . 17245 1 692 . 1 1 60 60 VAL N N 15 125.625 0.1 . 1 . . . . 60 VAL N . 17245 1 693 . 1 1 61 61 GLN H H 1 7.333 0.02 . 1 . . . . 61 GLN H . 17245 1 694 . 1 1 61 61 GLN HA H 1 4.075 0.02 . 1 . . . . 61 GLN HA . 17245 1 695 . 1 1 61 61 GLN HB2 H 1 2.122 0.02 . 1 . . . . 61 GLN HB2 . 17245 1 696 . 1 1 61 61 GLN HB3 H 1 2.122 0.02 . 1 . . . . 61 GLN HB3 . 17245 1 697 . 1 1 61 61 GLN HG2 H 1 2.404 0.02 . 1 . . . . 61 GLN HG2 . 17245 1 698 . 1 1 61 61 GLN HG3 H 1 2.404 0.02 . 1 . . . . 61 GLN HG3 . 17245 1 699 . 1 1 61 61 GLN C C 13 179.781 0.1 . 1 . . . . 61 GLN C . 17245 1 700 . 1 1 61 61 GLN CA C 13 58.714 0.1 . 1 . . . . 61 GLN CA . 17245 1 701 . 1 1 61 61 GLN CB C 13 27.775 0.1 . 1 . . . . 61 GLN CB . 17245 1 702 . 1 1 61 61 GLN CG C 13 33.157 0.1 . 1 . . . . 61 GLN CG . 17245 1 703 . 1 1 61 61 GLN N N 15 119.276 0.1 . 1 . . . . 61 GLN N . 17245 1 704 . 1 1 62 62 GLN H H 1 8.685 0.02 . 1 . . . . 62 GLN H . 17245 1 705 . 1 1 62 62 GLN HA H 1 4.065 0.02 . 1 . . . . 62 GLN HA . 17245 1 706 . 1 1 62 62 GLN HB2 H 1 2.234 0.02 . 2 . . . . 62 GLN HB2 . 17245 1 707 . 1 1 62 62 GLN HB3 H 1 2.091 0.02 . 2 . . . . 62 GLN HB3 . 17245 1 708 . 1 1 62 62 GLN HG2 H 1 2.614 0.02 . 2 . . . . 62 GLN HG2 . 17245 1 709 . 1 1 62 62 GLN HG3 H 1 2.455 0.02 . 2 . . . . 62 GLN HG3 . 17245 1 710 . 1 1 62 62 GLN C C 13 178.832 0.1 . 1 . . . . 62 GLN C . 17245 1 711 . 1 1 62 62 GLN CA C 13 58.992 0.1 . 1 . . . . 62 GLN CA . 17245 1 712 . 1 1 62 62 GLN CB C 13 28.279 0.1 . 1 . . . . 62 GLN CB . 17245 1 713 . 1 1 62 62 GLN CG C 13 34.343 0.1 . 1 . . . . 62 GLN CG . 17245 1 714 . 1 1 62 62 GLN N N 15 117.767 0.1 . 1 . . . . 62 GLN N . 17245 1 715 . 1 1 63 63 LEU H H 1 7.985 0.02 . 1 . . . . 63 LEU H . 17245 1 716 . 1 1 63 63 LEU HA H 1 4.347 0.02 . 1 . . . . 63 LEU HA . 17245 1 717 . 1 1 63 63 LEU HB2 H 1 1.835 0.02 . 1 . . . . 63 LEU HB2 . 17245 1 718 . 1 1 63 63 LEU HB3 H 1 1.835 0.02 . 1 . . . . 63 LEU HB3 . 17245 1 719 . 1 1 63 63 LEU HD11 H 1 0.370 0.02 . 2 . . . . 63 LEU QD1 . 17245 1 720 . 1 1 63 63 LEU HD12 H 1 0.370 0.02 . 2 . . . . 63 LEU QD1 . 17245 1 721 . 1 1 63 63 LEU HD13 H 1 0.370 0.02 . 2 . . . . 63 LEU QD1 . 17245 1 722 . 1 1 63 63 LEU HD21 H 1 0.858 0.02 . 2 . . . . 63 LEU QD2 . 17245 1 723 . 1 1 63 63 LEU HD22 H 1 0.858 0.02 . 2 . . . . 63 LEU QD2 . 17245 1 724 . 1 1 63 63 LEU HD23 H 1 0.858 0.02 . 2 . . . . 63 LEU QD2 . 17245 1 725 . 1 1 63 63 LEU HG H 1 1.536 0.02 . 1 . . . . 63 LEU HG . 17245 1 726 . 1 1 63 63 LEU C C 13 179.212 0.1 . 1 . . . . 63 LEU C . 17245 1 727 . 1 1 63 63 LEU CA C 13 58.309 0.1 . 1 . . . . 63 LEU CA . 17245 1 728 . 1 1 63 63 LEU CB C 13 41.914 0.1 . 1 . . . . 63 LEU CB . 17245 1 729 . 1 1 63 63 LEU CD1 C 13 24.720 0.1 . 1 . . . . 63 LEU CD1 . 17245 1 730 . 1 1 63 63 LEU CD2 C 13 23.102 0.1 . 1 . . . . 63 LEU CD2 . 17245 1 731 . 1 1 63 63 LEU CG C 13 27.632 0.1 . 1 . . . . 63 LEU CG . 17245 1 732 . 1 1 63 63 LEU N N 15 123.386 0.1 . 1 . . . . 63 LEU N . 17245 1 733 . 1 1 64 64 MET H H 1 8.231 0.02 . 1 . . . . 64 MET H . 17245 1 734 . 1 1 64 64 MET HA H 1 3.641 0.02 . 1 . . . . 64 MET HA . 17245 1 735 . 1 1 64 64 MET HB2 H 1 2.065 0.02 . 2 . . . . 64 MET HB2 . 17245 1 736 . 1 1 64 64 MET HB3 H 1 1.777 0.02 . 2 . . . . 64 MET HB3 . 17245 1 737 . 1 1 64 64 MET HG2 H 1 2.228 0.02 . 1 . . . . 64 MET HG2 . 17245 1 738 . 1 1 64 64 MET HG3 H 1 2.228 0.02 . 1 . . . . 64 MET HG3 . 17245 1 739 . 1 1 64 64 MET C C 13 177.300 0.1 . 1 . . . . 64 MET C . 17245 1 740 . 1 1 64 64 MET CA C 13 60.573 0.1 . 1 . . . . 64 MET CA . 17245 1 741 . 1 1 64 64 MET CB C 13 34.799 0.1 . 1 . . . . 64 MET CB . 17245 1 742 . 1 1 64 64 MET CG C 13 30.238 0.1 . 1 . . . . 64 MET CG . 17245 1 743 . 1 1 64 64 MET N N 15 117.419 0.1 . 1 . . . . 64 MET N . 17245 1 744 . 1 1 65 65 GLN H H 1 7.608 0.02 . 1 . . . . 65 GLN H . 17245 1 745 . 1 1 65 65 GLN HA H 1 4.135 0.02 . 1 . . . . 65 GLN HA . 17245 1 746 . 1 1 65 65 GLN HB2 H 1 2.194 0.02 . 2 . . . . 65 GLN HB2 . 17245 1 747 . 1 1 65 65 GLN HB3 H 1 2.119 0.02 . 2 . . . . 65 GLN HB3 . 17245 1 748 . 1 1 65 65 GLN HG2 H 1 2.621 0.02 . 2 . . . . 65 GLN HG2 . 17245 1 749 . 1 1 65 65 GLN HG3 H 1 2.463 0.02 . 2 . . . . 65 GLN HG3 . 17245 1 750 . 1 1 65 65 GLN C C 13 178.424 0.1 . 1 . . . . 65 GLN C . 17245 1 751 . 1 1 65 65 GLN CA C 13 58.967 0.1 . 1 . . . . 65 GLN CA . 17245 1 752 . 1 1 65 65 GLN CB C 13 28.550 0.1 . 1 . . . . 65 GLN CB . 17245 1 753 . 1 1 65 65 GLN CG C 13 34.160 0.1 . 1 . . . . 65 GLN CG . 17245 1 754 . 1 1 65 65 GLN N N 15 115.294 0.1 . 1 . . . . 65 GLN N . 17245 1 755 . 1 1 66 66 HIS H H 1 8.032 0.02 . 1 . . . . 66 HIS H . 17245 1 756 . 1 1 66 66 HIS HA H 1 4.462 0.02 . 1 . . . . 66 HIS HA . 17245 1 757 . 1 1 66 66 HIS HB2 H 1 3.562 0.02 . 2 . . . . 66 HIS HB2 . 17245 1 758 . 1 1 66 66 HIS HB3 H 1 3.306 0.02 . 2 . . . . 66 HIS HB3 . 17245 1 759 . 1 1 66 66 HIS HD2 H 1 7.244 0.02 . 1 . . . . 66 HIS HD2 . 17245 1 760 . 1 1 66 66 HIS C C 13 177.271 0.1 . 1 . . . . 66 HIS C . 17245 1 761 . 1 1 66 66 HIS CA C 13 58.739 0.1 . 1 . . . . 66 HIS CA . 17245 1 762 . 1 1 66 66 HIS CB C 13 30.238 0.1 . 1 . . . . 66 HIS CB . 17245 1 763 . 1 1 66 66 HIS CD2 C 13 120.400 0.1 . 1 . . . . 66 HIS CD2 . 17245 1 764 . 1 1 66 66 HIS N N 15 117.620 0.1 . 1 . . . . 66 HIS N . 17245 1 765 . 1 1 67 67 LEU H H 1 8.216 0.02 . 1 . . . . 67 LEU H . 17245 1 766 . 1 1 67 67 LEU HA H 1 4.338 0.02 . 1 . . . . 67 LEU HA . 17245 1 767 . 1 1 67 67 LEU HB2 H 1 2.222 0.02 . 2 . . . . 67 LEU HB2 . 17245 1 768 . 1 1 67 67 LEU HB3 H 1 1.820 0.02 . 2 . . . . 67 LEU HB3 . 17245 1 769 . 1 1 67 67 LEU HD11 H 1 1.094 0.02 . 2 . . . . 67 LEU QD1 . 17245 1 770 . 1 1 67 67 LEU HD12 H 1 1.094 0.02 . 2 . . . . 67 LEU QD1 . 17245 1 771 . 1 1 67 67 LEU HD13 H 1 1.094 0.02 . 2 . . . . 67 LEU QD1 . 17245 1 772 . 1 1 67 67 LEU HD21 H 1 0.959 0.02 . 2 . . . . 67 LEU QD2 . 17245 1 773 . 1 1 67 67 LEU HD22 H 1 0.959 0.02 . 2 . . . . 67 LEU QD2 . 17245 1 774 . 1 1 67 67 LEU HD23 H 1 0.959 0.02 . 2 . . . . 67 LEU QD2 . 17245 1 775 . 1 1 67 67 LEU HG H 1 2.109 0.02 . 1 . . . . 67 LEU HG . 17245 1 776 . 1 1 67 67 LEU C C 13 178.424 0.1 . 1 . . . . 67 LEU C . 17245 1 777 . 1 1 67 67 LEU CA C 13 56.690 0.1 . 1 . . . . 67 LEU CA . 17245 1 778 . 1 1 67 67 LEU CB C 13 43.191 0.1 . 1 . . . . 67 LEU CB . 17245 1 779 . 1 1 67 67 LEU CD1 C 13 27.632 0.1 . 1 . . . . 67 LEU CD1 . 17245 1 780 . 1 1 67 67 LEU CD2 C 13 22.575 0.1 . 1 . . . . 67 LEU CD2 . 17245 1 781 . 1 1 67 67 LEU CG C 13 27.632 0.1 . 1 . . . . 67 LEU CG . 17245 1 782 . 1 1 67 67 LEU N N 15 120.247 0.1 . 1 . . . . 67 LEU N . 17245 1 783 . 1 1 68 68 ASP H H 1 8.427 0.02 . 1 . . . . 68 ASP H . 17245 1 784 . 1 1 68 68 ASP HA H 1 4.691 0.02 . 1 . . . . 68 ASP HA . 17245 1 785 . 1 1 68 68 ASP HB2 H 1 2.838 0.02 . 1 . . . . 68 ASP HB2 . 17245 1 786 . 1 1 68 68 ASP HB3 H 1 2.838 0.02 . 1 . . . . 68 ASP HB3 . 17245 1 787 . 1 1 68 68 ASP C C 13 176.643 0.1 . 1 . . . . 68 ASP C . 17245 1 788 . 1 1 68 68 ASP CA C 13 55.842 0.1 . 1 . . . . 68 ASP CA . 17245 1 789 . 1 1 68 68 ASP CB C 13 41.367 0.1 . 1 . . . . 68 ASP CB . 17245 1 790 . 1 1 68 68 ASP N N 15 119.782 0.1 . 1 . . . . 68 ASP N . 17245 1 791 . 1 1 69 69 LYS H H 1 7.705 0.02 . 1 . . . . 69 LYS H . 17245 1 792 . 1 1 69 69 LYS HA H 1 4.342 0.02 . 1 . . . . 69 LYS HA . 17245 1 793 . 1 1 69 69 LYS HB2 H 1 1.880 0.02 . 1 . . . . 69 LYS HB2 . 17245 1 794 . 1 1 69 69 LYS HB3 H 1 1.880 0.02 . 1 . . . . 69 LYS HB3 . 17245 1 795 . 1 1 69 69 LYS HD2 H 1 1.743 0.02 . 1 . . . . 69 LYS HD2 . 17245 1 796 . 1 1 69 69 LYS HD3 H 1 1.743 0.02 . 1 . . . . 69 LYS HD3 . 17245 1 797 . 1 1 69 69 LYS HE2 H 1 3.052 0.02 . 1 . . . . 69 LYS HE2 . 17245 1 798 . 1 1 69 69 LYS HE3 H 1 3.052 0.02 . 1 . . . . 69 LYS HE3 . 17245 1 799 . 1 1 69 69 LYS HG2 H 1 1.489 0.02 . 1 . . . . 69 LYS HG2 . 17245 1 800 . 1 1 69 69 LYS HG3 H 1 1.489 0.02 . 1 . . . . 69 LYS HG3 . 17245 1 801 . 1 1 69 69 LYS C C 13 176.935 0.1 . 1 . . . . 69 LYS C . 17245 1 802 . 1 1 69 69 LYS CA C 13 56.513 0.1 . 1 . . . . 69 LYS CA . 17245 1 803 . 1 1 69 69 LYS CB C 13 32.883 0.1 . 1 . . . . 69 LYS CB . 17245 1 804 . 1 1 69 69 LYS CD C 13 29.599 0.1 . 1 . . . . 69 LYS CD . 17245 1 805 . 1 1 69 69 LYS CE C 13 42.191 0.1 . 1 . . . . 69 LYS CE . 17245 1 806 . 1 1 69 69 LYS CG C 13 25.038 0.1 . 1 . . . . 69 LYS CG . 17245 1 807 . 1 1 69 69 LYS N N 15 118.608 0.1 . 1 . . . . 69 LYS N . 17245 1 808 . 1 1 70 70 THR H H 1 8.052 0.02 . 1 . . . . 70 THR H . 17245 1 809 . 1 1 70 70 THR CA C 13 60.320 0.1 . 1 . . . . 70 THR CA . 17245 1 810 . 1 1 70 70 THR CB C 13 70.283 0.1 . 1 . . . . 70 THR CB . 17245 1 811 . 1 1 70 70 THR N N 15 118.851 0.1 . 1 . . . . 70 THR N . 17245 1 812 . 1 1 71 71 PRO HA H 1 4.500 0.02 . 1 . . . . 71 PRO HA . 17245 1 813 . 1 1 71 71 PRO HB2 H 1 2.353 0.02 . 2 . . . . 71 PRO HB2 . 17245 1 814 . 1 1 71 71 PRO HB3 H 1 1.966 0.02 . 2 . . . . 71 PRO HB3 . 17245 1 815 . 1 1 71 71 PRO HD2 H 1 3.901 0.02 . 2 . . . . 71 PRO HD2 . 17245 1 816 . 1 1 71 71 PRO HD3 H 1 3.760 0.02 . 2 . . . . 71 PRO HD3 . 17245 1 817 . 1 1 71 71 PRO HG2 H 1 2.069 0.02 . 2 . . . . 71 PRO HG2 . 17245 1 818 . 1 1 71 71 PRO HG3 H 1 2.069 0.02 . 2 . . . . 71 PRO HG3 . 17245 1 819 . 1 1 71 71 PRO C C 13 176.760 0.1 . 1 . . . . 71 PRO C . 17245 1 820 . 1 1 71 71 PRO CA C 13 63.204 0.1 . 1 . . . . 71 PRO CA . 17245 1 821 . 1 1 71 71 PRO CB C 13 32.336 0.1 . 1 . . . . 71 PRO CB . 17245 1 822 . 1 1 71 71 PRO CD C 13 50.945 0.1 . 1 . . . . 71 PRO CD . 17245 1 823 . 1 1 71 71 PRO CG C 13 27.592 0.1 . 1 . . . . 71 PRO CG . 17245 1 824 . 1 1 72 72 SER H H 1 8.521 0.02 . 1 . . . . 72 SER H . 17245 1 825 . 1 1 72 72 SER CA C 13 56.652 0.1 . 1 . . . . 72 SER CA . 17245 1 826 . 1 1 72 72 SER CB C 13 63.898 0.1 . 1 . . . . 72 SER CB . 17245 1 827 . 1 1 72 72 SER N N 15 117.875 0.1 . 1 . . . . 72 SER N . 17245 1 828 . 1 1 73 73 PRO HA H 1 4.496 0.02 . 1 . . . . 73 PRO HA . 17245 1 829 . 1 1 73 73 PRO HB2 H 1 2.362 0.02 . 2 . . . . 73 PRO HB2 . 17245 1 830 . 1 1 73 73 PRO HB3 H 1 1.972 0.02 . 2 . . . . 73 PRO HB3 . 17245 1 831 . 1 1 73 73 PRO HD2 H 1 3.987 0.02 . 2 . . . . 73 PRO HD2 . 17245 1 832 . 1 1 73 73 PRO HD3 H 1 3.849 0.02 . 2 . . . . 73 PRO HD3 . 17245 1 833 . 1 1 73 73 PRO HG2 H 1 2.079 0.02 . 2 . . . . 73 PRO HG2 . 17245 1 834 . 1 1 73 73 PRO HG3 H 1 2.079 0.02 . 2 . . . . 73 PRO HG3 . 17245 1 835 . 1 1 73 73 PRO C C 13 176.862 0.1 . 1 . . . . 73 PRO C . 17245 1 836 . 1 1 73 73 PRO CA C 13 63.457 0.1 . 1 . . . . 73 PRO CA . 17245 1 837 . 1 1 73 73 PRO CB C 13 32.336 0.1 . 1 . . . . 73 PRO CB . 17245 1 838 . 1 1 73 73 PRO CD C 13 51.036 0.1 . 1 . . . . 73 PRO CD . 17245 1 839 . 1 1 73 73 PRO CG C 13 27.592 0.1 . 1 . . . . 73 PRO CG . 17245 1 840 . 1 1 74 74 GLN H H 1 8.438 0.02 . 1 . . . . 74 GLN H . 17245 1 841 . 1 1 74 74 GLN HA H 1 4.373 0.02 . 1 . . . . 74 GLN HA . 17245 1 842 . 1 1 74 74 GLN HB2 H 1 2.113 0.02 . 2 . . . . 74 GLN HB2 . 17245 1 843 . 1 1 74 74 GLN HB3 H 1 2.003 0.02 . 2 . . . . 74 GLN HB3 . 17245 1 844 . 1 1 74 74 GLN HG2 H 1 2.445 0.02 . 2 . . . . 74 GLN HG2 . 17245 1 845 . 1 1 74 74 GLN HG3 H 1 2.445 0.02 . 2 . . . . 74 GLN HG3 . 17245 1 846 . 1 1 74 74 GLN C C 13 175.841 0.1 . 1 . . . . 74 GLN C . 17245 1 847 . 1 1 74 74 GLN CA C 13 55.766 0.1 . 1 . . . . 74 GLN CA . 17245 1 848 . 1 1 74 74 GLN CB C 13 29.964 0.1 . 1 . . . . 74 GLN CB . 17245 1 849 . 1 1 74 74 GLN CG C 13 33.978 0.1 . 1 . . . . 74 GLN CG . 17245 1 850 . 1 1 74 74 GLN N N 15 120.647 0.1 . 1 . . . . 74 GLN N . 17245 1 851 . 1 1 75 75 LYS H H 1 8.415 0.02 . 1 . . . . 75 LYS H . 17245 1 852 . 1 1 75 75 LYS CA C 13 54.451 0.1 . 1 . . . . 75 LYS CA . 17245 1 853 . 1 1 75 75 LYS CB C 13 32.883 0.1 . 1 . . . . 75 LYS CB . 17245 1 854 . 1 1 75 75 LYS N N 15 124.261 0.1 . 1 . . . . 75 LYS N . 17245 1 855 . 1 1 76 76 PRO HA H 1 4.476 0.02 . 1 . . . . 76 PRO HA . 17245 1 856 . 1 1 76 76 PRO HB2 H 1 2.324 0.02 . 2 . . . . 76 PRO HB2 . 17245 1 857 . 1 1 76 76 PRO HB3 H 1 1.952 0.02 . 2 . . . . 76 PRO HB3 . 17245 1 858 . 1 1 76 76 PRO HD2 H 1 3.879 0.02 . 2 . . . . 76 PRO HD2 . 17245 1 859 . 1 1 76 76 PRO HD3 H 1 3.675 0.02 . 2 . . . . 76 PRO HD3 . 17245 1 860 . 1 1 76 76 PRO HG2 H 1 2.069 0.02 . 2 . . . . 76 PRO HG2 . 17245 1 861 . 1 1 76 76 PRO HG3 H 1 2.069 0.02 . 2 . . . . 76 PRO HG3 . 17245 1 862 . 1 1 76 76 PRO C C 13 176.658 0.1 . 1 . . . . 76 PRO C . 17245 1 863 . 1 1 76 76 PRO CA C 13 63.204 0.1 . 1 . . . . 76 PRO CA . 17245 1 864 . 1 1 76 76 PRO CB C 13 32.336 0.1 . 1 . . . . 76 PRO CB . 17245 1 865 . 1 1 76 76 PRO CD C 13 50.580 0.1 . 1 . . . . 76 PRO CD . 17245 1 866 . 1 1 76 76 PRO CG C 13 27.684 0.1 . 1 . . . . 76 PRO CG . 17245 1 867 . 1 1 77 77 ALA H H 1 8.480 0.02 . 1 . . . . 77 ALA H . 17245 1 868 . 1 1 77 77 ALA HA H 1 4.383 0.02 . 1 . . . . 77 ALA HA . 17245 1 869 . 1 1 77 77 ALA HB1 H 1 1.427 0.02 . 1 . . . . 77 ALA QB . 17245 1 870 . 1 1 77 77 ALA HB2 H 1 1.427 0.02 . 1 . . . . 77 ALA QB . 17245 1 871 . 1 1 77 77 ALA HB3 H 1 1.427 0.02 . 1 . . . . 77 ALA QB . 17245 1 872 . 1 1 77 77 ALA C C 13 177.811 0.1 . 1 . . . . 77 ALA C . 17245 1 873 . 1 1 77 77 ALA CA C 13 52.566 0.1 . 1 . . . . 77 ALA CA . 17245 1 874 . 1 1 77 77 ALA CB C 13 19.474 0.1 . 1 . . . . 77 ALA CB . 17245 1 875 . 1 1 77 77 ALA N N 15 124.618 0.1 . 1 . . . . 77 ALA N . 17245 1 876 . 1 1 78 78 GLN H H 1 8.439 0.02 . 1 . . . . 78 GLN H . 17245 1 877 . 1 1 78 78 GLN HA H 1 4.386 0.02 . 1 . . . . 78 GLN HA . 17245 1 878 . 1 1 78 78 GLN HB2 H 1 2.157 0.02 . 2 . . . . 78 GLN HB2 . 17245 1 879 . 1 1 78 78 GLN HB3 H 1 2.032 0.02 . 2 . . . . 78 GLN HB3 . 17245 1 880 . 1 1 78 78 GLN HG2 H 1 2.436 0.02 . 2 . . . . 78 GLN HG2 . 17245 1 881 . 1 1 78 78 GLN HG3 H 1 2.436 0.02 . 2 . . . . 78 GLN HG3 . 17245 1 882 . 1 1 78 78 GLN C C 13 176.483 0.1 . 1 . . . . 78 GLN C . 17245 1 883 . 1 1 78 78 GLN CA C 13 56.078 0.1 . 1 . . . . 78 GLN CA . 17245 1 884 . 1 1 78 78 GLN CB C 13 30.055 0.1 . 1 . . . . 78 GLN CB . 17245 1 885 . 1 1 78 78 GLN CG C 13 33.978 0.1 . 1 . . . . 78 GLN CG . 17245 1 886 . 1 1 78 78 GLN N N 15 119.782 0.1 . 1 . . . . 78 GLN N . 17245 1 887 . 1 1 79 79 GLY H H 1 8.446 0.02 . 1 . . . . 79 GLY H . 17245 1 888 . 1 1 79 79 GLY HA2 H 1 4.024 0.02 . 2 . . . . 79 GLY HA2 . 17245 1 889 . 1 1 79 79 GLY HA3 H 1 4.024 0.02 . 2 . . . . 79 GLY HA3 . 17245 1 890 . 1 1 79 79 GLY C C 13 175.841 0.1 . 1 . . . . 79 GLY C . 17245 1 891 . 1 1 79 79 GLY CA C 13 45.414 0.1 . 1 . . . . 79 GLY CA . 17245 1 892 . 1 1 79 79 GLY N N 15 109.652 0.1 . 1 . . . . 79 GLY N . 17245 1 893 . 1 1 80 80 CYS H H 1 8.307 0.02 . 1 . . . . 80 CYS H . 17245 1 894 . 1 1 80 80 CYS HA H 1 4.671 0.02 . 1 . . . . 80 CYS HA . 17245 1 895 . 1 1 80 80 CYS HB2 H 1 2.745 0.02 . 2 . . . . 80 CYS HB2 . 17245 1 896 . 1 1 80 80 CYS HB3 H 1 2.745 0.02 . 2 . . . . 80 CYS HB3 . 17245 1 897 . 1 1 80 80 CYS C C 13 176.308 0.1 . 1 . . . . 80 CYS C . 17245 1 898 . 1 1 80 80 CYS CA C 13 55.759 0.1 . 1 . . . . 80 CYS CA . 17245 1 899 . 1 1 80 80 CYS CB C 13 41.914 0.1 . 1 . . . . 80 CYS CB . 17245 1 900 . 1 1 80 80 CYS N N 15 118.444 0.1 . 1 . . . . 80 CYS N . 17245 1 901 . 1 1 81 81 ARG H H 1 8.373 0.02 . 1 . . . . 81 ARG H . 17245 1 902 . 1 1 81 81 ARG HA H 1 4.404 0.02 . 1 . . . . 81 ARG HA . 17245 1 903 . 1 1 81 81 ARG HB2 H 1 1.922 0.02 . 2 . . . . 81 ARG HB2 . 17245 1 904 . 1 1 81 81 ARG HB3 H 1 1.828 0.02 . 2 . . . . 81 ARG HB3 . 17245 1 905 . 1 1 81 81 ARG HD2 H 1 3.263 0.02 . 2 . . . . 81 ARG HD2 . 17245 1 906 . 1 1 81 81 ARG HD3 H 1 3.263 0.02 . 2 . . . . 81 ARG HD3 . 17245 1 907 . 1 1 81 81 ARG HG2 H 1 1.703 0.02 . 2 . . . . 81 ARG HG2 . 17245 1 908 . 1 1 81 81 ARG HG3 H 1 1.703 0.02 . 2 . . . . 81 ARG HG3 . 17245 1 909 . 1 1 81 81 ARG C C 13 176.249 0.1 . 1 . . . . 81 ARG C . 17245 1 910 . 1 1 81 81 ARG CA C 13 56.490 0.1 . 1 . . . . 81 ARG CA . 17245 1 911 . 1 1 81 81 ARG CB C 13 31.150 0.1 . 1 . . . . 81 ARG CB . 17245 1 912 . 1 1 81 81 ARG CD C 13 43.830 0.1 . 1 . . . . 81 ARG CD . 17245 1 913 . 1 1 81 81 ARG CG C 13 27.227 0.1 . 1 . . . . 81 ARG CG . 17245 1 914 . 1 1 81 81 ARG N N 15 121.723 0.1 . 1 . . . . 81 ARG N . 17245 1 915 . 1 1 82 82 LYS H H 1 8.455 0.02 . 1 . . . . 82 LYS H . 17245 1 916 . 1 1 82 82 LYS HA H 1 4.364 0.02 . 1 . . . . 82 LYS HA . 17245 1 917 . 1 1 82 82 LYS HB2 H 1 1.908 0.02 . 2 . . . . 82 LYS HB2 . 17245 1 918 . 1 1 82 82 LYS HB3 H 1 1.807 0.02 . 2 . . . . 82 LYS HB3 . 17245 1 919 . 1 1 82 82 LYS HD2 H 1 1.737 0.02 . 2 . . . . 82 LYS HD2 . 17245 1 920 . 1 1 82 82 LYS HD3 H 1 1.737 0.02 . 2 . . . . 82 LYS HD3 . 17245 1 921 . 1 1 82 82 LYS HE2 H 1 3.046 0.02 . 2 . . . . 82 LYS HE2 . 17245 1 922 . 1 1 82 82 LYS HE3 H 1 3.046 0.02 . 2 . . . . 82 LYS HE3 . 17245 1 923 . 1 1 82 82 LYS HG2 H 1 1.485 0.02 . 2 . . . . 82 LYS HG2 . 17245 1 924 . 1 1 82 82 LYS HG3 H 1 1.485 0.02 . 2 . . . . 82 LYS HG3 . 17245 1 925 . 1 1 82 82 LYS C C 13 176.191 0.1 . 1 . . . . 82 LYS C . 17245 1 926 . 1 1 82 82 LYS CA C 13 56.734 0.1 . 1 . . . . 82 LYS CA . 17245 1 927 . 1 1 82 82 LYS CB C 13 33.066 0.1 . 1 . . . . 82 LYS CB . 17245 1 928 . 1 1 82 82 LYS CD C 13 29.573 0.1 . 1 . . . . 82 LYS CD . 17245 1 929 . 1 1 82 82 LYS CE C 13 42.515 0.1 . 1 . . . . 82 LYS CE . 17245 1 930 . 1 1 82 82 LYS CG C 13 25.043 0.1 . 1 . . . . 82 LYS CG . 17245 1 931 . 1 1 82 82 LYS N N 15 122.697 0.1 . 1 . . . . 82 LYS N . 17245 1 932 . 1 1 83 83 ASP H H 1 8.362 0.02 . 1 . . . . 83 ASP H . 17245 1 933 . 1 1 83 83 ASP CA C 13 54.299 0.1 . 1 . . . . 83 ASP CA . 17245 1 934 . 1 1 83 83 ASP CB C 13 41.640 0.1 . 1 . . . . 83 ASP CB . 17245 1 935 . 1 1 83 83 ASP N N 15 121.227 0.1 . 1 . . . . 83 ASP N . 17245 1 936 . 1 1 84 84 ARG HA H 1 4.373 0.02 . 1 . . . . 84 ARG HA . 17245 1 937 . 1 1 84 84 ARG HB2 H 1 1.982 0.02 . 2 . . . . 84 ARG HB2 . 17245 1 938 . 1 1 84 84 ARG HB3 H 1 1.880 0.02 . 2 . . . . 84 ARG HB3 . 17245 1 939 . 1 1 84 84 ARG HD2 H 1 3.259 0.02 . 2 . . . . 84 ARG HD2 . 17245 1 940 . 1 1 84 84 ARG HD3 H 1 3.259 0.02 . 2 . . . . 84 ARG HD3 . 17245 1 941 . 1 1 84 84 ARG HG2 H 1 1.701 0.02 . 2 . . . . 84 ARG HG2 . 17245 1 942 . 1 1 84 84 ARG HG3 H 1 1.701 0.02 . 2 . . . . 84 ARG HG3 . 17245 1 943 . 1 1 84 84 ARG C C 13 176.979 0.1 . 1 . . . . 84 ARG C . 17245 1 944 . 1 1 84 84 ARG CA C 13 56.734 0.1 . 1 . . . . 84 ARG CA . 17245 1 945 . 1 1 84 84 ARG CB C 13 30.694 0.1 . 1 . . . . 84 ARG CB . 17245 1 946 . 1 1 84 84 ARG CD C 13 43.830 0.1 . 1 . . . . 84 ARG CD . 17245 1 947 . 1 1 84 84 ARG CG C 13 27.136 0.1 . 1 . . . . 84 ARG CG . 17245 1 948 . 1 1 85 85 GLY H H 1 8.494 0.02 . 1 . . . . 85 GLY H . 17245 1 949 . 1 1 85 85 GLY HA2 H 1 3.993 0.02 . 2 . . . . 85 GLY HA2 . 17245 1 950 . 1 1 85 85 GLY HA3 H 1 3.993 0.02 . 2 . . . . 85 GLY HA3 . 17245 1 951 . 1 1 85 85 GLY C C 13 174.075 0.1 . 1 . . . . 85 GLY C . 17245 1 952 . 1 1 85 85 GLY CA C 13 45.468 0.1 . 1 . . . . 85 GLY CA . 17245 1 953 . 1 1 85 85 GLY N N 15 109.402 0.1 . 1 . . . . 85 GLY N . 17245 1 954 . 1 1 86 86 ALA H H 1 8.145 0.02 . 1 . . . . 86 ALA H . 17245 1 955 . 1 1 86 86 ALA HA H 1 4.372 0.02 . 1 . . . . 86 ALA HA . 17245 1 956 . 1 1 86 86 ALA HB1 H 1 1.449 0.02 . 1 . . . . 86 ALA QB . 17245 1 957 . 1 1 86 86 ALA HB2 H 1 1.449 0.02 . 1 . . . . 86 ALA QB . 17245 1 958 . 1 1 86 86 ALA HB3 H 1 1.449 0.02 . 1 . . . . 86 ALA QB . 17245 1 959 . 1 1 86 86 ALA C C 13 178.001 0.1 . 1 . . . . 86 ALA C . 17245 1 960 . 1 1 86 86 ALA CA C 13 52.834 0.1 . 1 . . . . 86 ALA CA . 17245 1 961 . 1 1 86 86 ALA CB C 13 19.565 0.1 . 1 . . . . 86 ALA CB . 17245 1 962 . 1 1 86 86 ALA N N 15 123.603 0.1 . 1 . . . . 86 ALA N . 17245 1 963 . 1 1 87 87 SER H H 1 8.316 0.02 . 1 . . . . 87 SER H . 17245 1 964 . 1 1 87 87 SER HA H 1 4.517 0.02 . 1 . . . . 87 SER HA . 17245 1 965 . 1 1 87 87 SER HB2 H 1 3.922 0.02 . 2 . . . . 87 SER HB2 . 17245 1 966 . 1 1 87 87 SER HB3 H 1 3.922 0.02 . 2 . . . . 87 SER HB3 . 17245 1 967 . 1 1 87 87 SER C C 13 174.849 0.1 . 1 . . . . 87 SER C . 17245 1 968 . 1 1 87 87 SER CA C 13 58.629 0.1 . 1 . . . . 87 SER CA . 17245 1 969 . 1 1 87 87 SER CB C 13 64.126 0.1 . 1 . . . . 87 SER CB . 17245 1 970 . 1 1 87 87 SER N N 15 114.782 0.1 . 1 . . . . 87 SER N . 17245 1 971 . 1 1 88 88 LYS H H 1 8.482 0.02 . 1 . . . . 88 LYS H . 17245 1 972 . 1 1 88 88 LYS HA H 1 4.424 0.02 . 1 . . . . 88 LYS HA . 17245 1 973 . 1 1 88 88 LYS HB2 H 1 1.952 0.02 . 2 . . . . 88 LYS HB2 . 17245 1 974 . 1 1 88 88 LYS HB3 H 1 1.838 0.02 . 2 . . . . 88 LYS HB3 . 17245 1 975 . 1 1 88 88 LYS HD2 H 1 1.741 0.02 . 2 . . . . 88 LYS HD2 . 17245 1 976 . 1 1 88 88 LYS HD3 H 1 1.741 0.02 . 2 . . . . 88 LYS HD3 . 17245 1 977 . 1 1 88 88 LYS HE2 H 1 3.035 0.02 . 2 . . . . 88 LYS HE2 . 17245 1 978 . 1 1 88 88 LYS HE3 H 1 3.035 0.02 . 2 . . . . 88 LYS HE3 . 17245 1 979 . 1 1 88 88 LYS HG2 H 1 1.530 0.02 . 2 . . . . 88 LYS HG2 . 17245 1 980 . 1 1 88 88 LYS HG3 H 1 1.530 0.02 . 2 . . . . 88 LYS HG3 . 17245 1 981 . 1 1 88 88 LYS C C 13 177.037 0.1 . 1 . . . . 88 LYS C . 17245 1 982 . 1 1 88 88 LYS CA C 13 57.059 0.1 . 1 . . . . 88 LYS CA . 17245 1 983 . 1 1 88 88 LYS CB C 13 33.066 0.1 . 1 . . . . 88 LYS CB . 17245 1 984 . 1 1 88 88 LYS CD C 13 29.326 0.1 . 1 . . . . 88 LYS CD . 17245 1 985 . 1 1 88 88 LYS CG C 13 25.129 0.1 . 1 . . . . 88 LYS CG . 17245 1 986 . 1 1 88 88 LYS N N 15 123.133 0.1 . 1 . . . . 88 LYS N . 17245 1 987 . 1 1 89 89 THR H H 1 8.061 0.02 . 1 . . . . 89 THR H . 17245 1 988 . 1 1 89 89 THR HA H 1 4.383 0.02 . 1 . . . . 89 THR HA . 17245 1 989 . 1 1 89 89 THR HB H 1 4.289 0.02 . 1 . . . . 89 THR HB . 17245 1 990 . 1 1 89 89 THR HG21 H 1 1.244 0.02 . 1 . . . . 89 THR QG2 . 17245 1 991 . 1 1 89 89 THR HG22 H 1 1.244 0.02 . 1 . . . . 89 THR QG2 . 17245 1 992 . 1 1 89 89 THR HG23 H 1 1.244 0.02 . 1 . . . . 89 THR QG2 . 17245 1 993 . 1 1 89 89 THR C C 13 175.199 0.1 . 1 . . . . 89 THR C . 17245 1 994 . 1 1 89 89 THR CA C 13 61.960 0.1 . 1 . . . . 89 THR CA . 17245 1 995 . 1 1 89 89 THR CB C 13 70.283 0.1 . 1 . . . . 89 THR CB . 17245 1 996 . 1 1 89 89 THR CG2 C 13 21.754 0.1 . 1 . . . . 89 THR CG2 . 17245 1 997 . 1 1 89 89 THR N N 15 112.586 0.1 . 1 . . . . 89 THR N . 17245 1 998 . 1 1 90 90 GLY H H 1 8.315 0.02 . 1 . . . . 90 GLY H . 17245 1 999 . 1 1 90 90 GLY HA2 H 1 4.226 0.02 . 2 . . . . 90 GLY HA2 . 17245 1 1000 . 1 1 90 90 GLY HA3 H 1 4.226 0.02 . 2 . . . . 90 GLY HA3 . 17245 1 1001 . 1 1 90 90 GLY C C 13 174.192 0.1 . 1 . . . . 90 GLY C . 17245 1 1002 . 1 1 90 90 GLY CA C 13 45.414 0.1 . 1 . . . . 90 GLY CA . 17245 1 1003 . 1 1 90 90 GLY N N 15 110.812 0.1 . 1 . . . . 90 GLY N . 17245 1 1004 . 1 1 91 91 LYS H H 1 8.219 0.02 . 1 . . . . 91 LYS H . 17245 1 1005 . 1 1 91 91 LYS HA H 1 4.384 0.02 . 1 . . . . 91 LYS HA . 17245 1 1006 . 1 1 91 91 LYS HB2 H 1 1.850 0.02 . 2 . . . . 91 LYS HB2 . 17245 1 1007 . 1 1 91 91 LYS HB3 H 1 1.482 0.02 . 2 . . . . 91 LYS HB3 . 17245 1 1008 . 1 1 91 91 LYS HD2 H 1 1.720 0.02 . 2 . . . . 91 LYS HD2 . 17245 1 1009 . 1 1 91 91 LYS HD3 H 1 1.720 0.02 . 2 . . . . 91 LYS HD3 . 17245 1 1010 . 1 1 91 91 LYS HE2 H 1 3.044 0.02 . 2 . . . . 91 LYS HE2 . 17245 1 1011 . 1 1 91 91 LYS HE3 H 1 3.044 0.02 . 2 . . . . 91 LYS HE3 . 17245 1 1012 . 1 1 91 91 LYS HG2 H 1 1.482 0.02 . 2 . . . . 91 LYS HG2 . 17245 1 1013 . 1 1 91 91 LYS HG3 H 1 1.482 0.02 . 2 . . . . 91 LYS HG3 . 17245 1 1014 . 1 1 91 91 LYS C C 13 176.848 0.1 . 1 . . . . 91 LYS C . 17245 1 1015 . 1 1 91 91 LYS CA C 13 56.544 0.1 . 1 . . . . 91 LYS CA . 17245 1 1016 . 1 1 91 91 LYS CB C 13 33.339 0.1 . 1 . . . . 91 LYS CB . 17245 1 1017 . 1 1 91 91 LYS CD C 13 29.573 0.1 . 1 . . . . 91 LYS CD . 17245 1 1018 . 1 1 91 91 LYS CE C 13 42.191 0.1 . 1 . . . . 91 LYS CE . 17245 1 1019 . 1 1 91 91 LYS CG C 13 25.043 0.1 . 1 . . . . 91 LYS CG . 17245 1 1020 . 1 1 91 91 LYS N N 15 120.822 0.1 . 1 . . . . 91 LYS N . 17245 1 1021 . 1 1 92 92 LYS H H 1 8.426 0.02 . 1 . . . . 92 LYS H . 17245 1 1022 . 1 1 92 92 LYS HA H 1 4.383 0.02 . 1 . . . . 92 LYS HA . 17245 1 1023 . 1 1 92 92 LYS HB2 H 1 1.880 0.02 . 2 . . . . 92 LYS HB2 . 17245 1 1024 . 1 1 92 92 LYS HB3 H 1 1.880 0.02 . 2 . . . . 92 LYS HB3 . 17245 1 1025 . 1 1 92 92 LYS HD2 H 1 1.728 0.02 . 2 . . . . 92 LYS HD2 . 17245 1 1026 . 1 1 92 92 LYS HD3 H 1 1.728 0.02 . 2 . . . . 92 LYS HD3 . 17245 1 1027 . 1 1 92 92 LYS HE2 H 1 3.045 0.02 . 2 . . . . 92 LYS HE2 . 17245 1 1028 . 1 1 92 92 LYS HE3 H 1 3.045 0.02 . 2 . . . . 92 LYS HE3 . 17245 1 1029 . 1 1 92 92 LYS HG2 H 1 1.499 0.02 . 2 . . . . 92 LYS HG2 . 17245 1 1030 . 1 1 92 92 LYS HG3 H 1 1.499 0.02 . 2 . . . . 92 LYS HG3 . 17245 1 1031 . 1 1 92 92 LYS C C 13 177.081 0.1 . 1 . . . . 92 LYS C . 17245 1 1032 . 1 1 92 92 LYS CA C 13 56.707 0.1 . 1 . . . . 92 LYS CA . 17245 1 1033 . 1 1 92 92 LYS CB C 13 33.157 0.1 . 1 . . . . 92 LYS CB . 17245 1 1034 . 1 1 92 92 LYS CD C 13 29.417 0.1 . 1 . . . . 92 LYS CD . 17245 1 1035 . 1 1 92 92 LYS CG C 13 25.038 0.1 . 1 . . . . 92 LYS CG . 17245 1 1036 . 1 1 92 92 LYS N N 15 122.060 0.1 . 1 . . . . 92 LYS N . 17245 1 1037 . 1 1 93 93 GLY H H 1 8.385 0.02 . 1 . . . . 93 GLY H . 17245 1 1038 . 1 1 93 93 GLY HA2 H 1 4.034 0.02 . 2 . . . . 93 GLY HA2 . 17245 1 1039 . 1 1 93 93 GLY HA3 H 1 4.034 0.02 . 2 . . . . 93 GLY HA3 . 17245 1 1040 . 1 1 93 93 GLY C C 13 174.177 0.1 . 1 . . . . 93 GLY C . 17245 1 1041 . 1 1 93 93 GLY CA C 13 45.360 0.1 . 1 . . . . 93 GLY CA . 17245 1 1042 . 1 1 93 93 GLY N N 15 109.899 0.1 . 1 . . . . 93 GLY N . 17245 1 1043 . 1 1 94 94 LYS H H 1 8.329 0.02 . 1 . . . . 94 LYS H . 17245 1 1044 . 1 1 94 94 LYS HA H 1 4.404 0.02 . 1 . . . . 94 LYS HA . 17245 1 1045 . 1 1 94 94 LYS HB2 H 1 1.874 0.02 . 2 . . . . 94 LYS HB2 . 17245 1 1046 . 1 1 94 94 LYS HB3 H 1 1.874 0.02 . 2 . . . . 94 LYS HB3 . 17245 1 1047 . 1 1 94 94 LYS HD2 H 1 1.736 0.02 . 2 . . . . 94 LYS HD2 . 17245 1 1048 . 1 1 94 94 LYS HD3 H 1 1.736 0.02 . 2 . . . . 94 LYS HD3 . 17245 1 1049 . 1 1 94 94 LYS HE2 H 1 3.055 0.02 . 2 . . . . 94 LYS HE2 . 17245 1 1050 . 1 1 94 94 LYS HE3 H 1 3.055 0.02 . 2 . . . . 94 LYS HE3 . 17245 1 1051 . 1 1 94 94 LYS HG2 H 1 1.499 0.02 . 2 . . . . 94 LYS HG2 . 17245 1 1052 . 1 1 94 94 LYS HG3 H 1 1.499 0.02 . 2 . . . . 94 LYS HG3 . 17245 1 1053 . 1 1 94 94 LYS C C 13 176.571 0.1 . 1 . . . . 94 LYS C . 17245 1 1054 . 1 1 94 94 LYS CA C 13 56.666 0.1 . 1 . . . . 94 LYS CA . 17245 1 1055 . 1 1 94 94 LYS CB C 13 33.522 0.1 . 1 . . . . 94 LYS CB . 17245 1 1056 . 1 1 94 94 LYS CD C 13 29.417 0.1 . 1 . . . . 94 LYS CD . 17245 1 1057 . 1 1 94 94 LYS CE C 13 43.830 0.1 . 1 . . . . 94 LYS CE . 17245 1 1058 . 1 1 94 94 LYS CG C 13 25.129 0.1 . 1 . . . . 94 LYS CG . 17245 1 1059 . 1 1 94 94 LYS N N 15 120.980 0.1 . 1 . . . . 94 LYS N . 17245 1 1060 . 1 1 95 95 GLY H H 1 8.536 0.02 . 1 . . . . 95 GLY H . 17245 1 1061 . 1 1 95 95 GLY HA2 H 1 4.055 0.02 . 2 . . . . 95 GLY HA2 . 17245 1 1062 . 1 1 95 95 GLY HA3 H 1 4.055 0.02 . 2 . . . . 95 GLY HA3 . 17245 1 1063 . 1 1 95 95 GLY C C 13 174.206 0.1 . 1 . . . . 95 GLY C . 17245 1 1064 . 1 1 95 95 GLY CA C 13 45.387 0.1 . 1 . . . . 95 GLY CA . 17245 1 1065 . 1 1 95 95 GLY N N 15 109.962 0.1 . 1 . . . . 95 GLY N . 17245 1 1066 . 1 1 96 96 SER H H 1 8.254 0.02 . 1 . . . . 96 SER H . 17245 1 1067 . 1 1 96 96 SER HA H 1 4.517 0.02 . 1 . . . . 96 SER HA . 17245 1 1068 . 1 1 96 96 SER HB2 H 1 3.942 0.02 . 2 . . . . 96 SER HB2 . 17245 1 1069 . 1 1 96 96 SER HB3 H 1 3.942 0.02 . 2 . . . . 96 SER HB3 . 17245 1 1070 . 1 1 96 96 SER C C 13 174.396 0.1 . 1 . . . . 96 SER C . 17245 1 1071 . 1 1 96 96 SER CA C 13 58.508 0.1 . 1 . . . . 96 SER CA . 17245 1 1072 . 1 1 96 96 SER CB C 13 64.308 0.1 . 1 . . . . 96 SER CB . 17245 1 1073 . 1 1 96 96 SER N N 15 115.623 0.1 . 1 . . . . 96 SER N . 17245 1 1074 . 1 1 97 97 LYS H H 1 8.491 0.02 . 1 . . . . 97 LYS H . 17245 1 1075 . 1 1 97 97 LYS HA H 1 4.404 0.02 . 1 . . . . 97 LYS HA . 17245 1 1076 . 1 1 97 97 LYS HB2 H 1 1.868 0.02 . 2 . . . . 97 LYS HB2 . 17245 1 1077 . 1 1 97 97 LYS HB3 H 1 1.868 0.02 . 2 . . . . 97 LYS HB3 . 17245 1 1078 . 1 1 97 97 LYS HD2 H 1 1.721 0.02 . 2 . . . . 97 LYS HD2 . 17245 1 1079 . 1 1 97 97 LYS HD3 H 1 1.721 0.02 . 2 . . . . 97 LYS HD3 . 17245 1 1080 . 1 1 97 97 LYS HE2 H 1 3.034 0.02 . 2 . . . . 97 LYS HE2 . 17245 1 1081 . 1 1 97 97 LYS HE3 H 1 3.034 0.02 . 2 . . . . 97 LYS HE3 . 17245 1 1082 . 1 1 97 97 LYS HG2 H 1 1.469 0.02 . 2 . . . . 97 LYS HG2 . 17245 1 1083 . 1 1 97 97 LYS HG3 H 1 1.469 0.02 . 2 . . . . 97 LYS HG3 . 17245 1 1084 . 1 1 97 97 LYS C C 13 177.081 0.1 . 1 . . . . 97 LYS C . 17245 1 1085 . 1 1 97 97 LYS CA C 13 56.815 0.1 . 1 . . . . 97 LYS CA . 17245 1 1086 . 1 1 97 97 LYS CB C 13 33.248 0.1 . 1 . . . . 97 LYS CB . 17245 1 1087 . 1 1 97 97 LYS CD C 13 29.417 0.1 . 1 . . . . 97 LYS CD . 17245 1 1088 . 1 1 97 97 LYS CG C 13 25.129 0.1 . 1 . . . . 97 LYS CG . 17245 1 1089 . 1 1 97 97 LYS N N 15 123.441 0.1 . 1 . . . . 97 LYS N . 17245 1 1090 . 1 1 98 98 GLY H H 1 8.435 0.02 . 1 . . . . 98 GLY H . 17245 1 1091 . 1 1 98 98 GLY HA2 H 1 4.034 0.02 . 2 . . . . 98 GLY HA2 . 17245 1 1092 . 1 1 98 98 GLY HA3 H 1 4.034 0.02 . 2 . . . . 98 GLY HA3 . 17245 1 1093 . 1 1 98 98 GLY C C 13 173.958 0.1 . 1 . . . . 98 GLY C . 17245 1 1094 . 1 1 98 98 GLY CA C 13 45.414 0.1 . 1 . . . . 98 GLY CA . 17245 1 1095 . 1 1 98 98 GLY N N 15 109.184 0.1 . 1 . . . . 98 GLY N . 17245 1 1096 . 1 1 99 99 CYS H H 1 8.413 0.02 . 1 . . . . 99 CYS H . 17245 1 1097 . 1 1 99 99 CYS HA H 1 4.414 0.02 . 1 . . . . 99 CYS HA . 17245 1 1098 . 1 1 99 99 CYS HB2 H 1 3.275 0.02 . 2 . . . . 99 CYS HB2 . 17245 1 1099 . 1 1 99 99 CYS HB3 H 1 3.070 0.02 . 2 . . . . 99 CYS HB3 . 17245 1 1100 . 1 1 99 99 CYS C C 13 174.469 0.1 . 1 . . . . 99 CYS C . 17245 1 1101 . 1 1 99 99 CYS CA C 13 55.732 0.1 . 1 . . . . 99 CYS CA . 17245 1 1102 . 1 1 99 99 CYS CB C 13 41.777 0.1 . 1 . . . . 99 CYS CB . 17245 1 1103 . 1 1 99 99 CYS N N 15 118.609 0.1 . 1 . . . . 99 CYS N . 17245 1 1104 . 1 1 100 100 LYS H H 1 8.496 0.02 . 1 . . . . 100 LYS H . 17245 1 1105 . 1 1 100 100 LYS HA H 1 4.381 0.02 . 1 . . . . 100 LYS HA . 17245 1 1106 . 1 1 100 100 LYS HB2 H 1 1.880 0.02 . 2 . . . . 100 LYS HB2 . 17245 1 1107 . 1 1 100 100 LYS HB3 H 1 1.880 0.02 . 2 . . . . 100 LYS HB3 . 17245 1 1108 . 1 1 100 100 LYS HD2 H 1 1.737 0.02 . 2 . . . . 100 LYS HD2 . 17245 1 1109 . 1 1 100 100 LYS HD3 H 1 1.737 0.02 . 2 . . . . 100 LYS HD3 . 17245 1 1110 . 1 1 100 100 LYS HE2 H 1 3.066 0.02 . 2 . . . . 100 LYS HE2 . 17245 1 1111 . 1 1 100 100 LYS HE3 H 1 3.066 0.02 . 2 . . . . 100 LYS HE3 . 17245 1 1112 . 1 1 100 100 LYS HG2 H 1 1.489 0.02 . 2 . . . . 100 LYS HG2 . 17245 1 1113 . 1 1 100 100 LYS HG3 H 1 1.489 0.02 . 2 . . . . 100 LYS HG3 . 17245 1 1114 . 1 1 100 100 LYS C C 13 176.264 0.1 . 1 . . . . 100 LYS C . 17245 1 1115 . 1 1 100 100 LYS CA C 13 56.463 0.1 . 1 . . . . 100 LYS CA . 17245 1 1116 . 1 1 100 100 LYS CB C 13 33.430 0.1 . 1 . . . . 100 LYS CB . 17245 1 1117 . 1 1 100 100 LYS CD C 13 29.599 0.1 . 1 . . . . 100 LYS CD . 17245 1 1118 . 1 1 100 100 LYS CE C 13 41.640 0.1 . 1 . . . . 100 LYS CE . 17245 1 1119 . 1 1 100 100 LYS CG C 13 25.038 0.1 . 1 . . . . 100 LYS CG . 17245 1 1120 . 1 1 100 100 LYS N N 15 123.629 0.1 . 1 . . . . 100 LYS N . 17245 1 1121 . 1 1 101 101 ARG H H 1 8.509 0.02 . 1 . . . . 101 ARG H . 17245 1 1122 . 1 1 101 101 ARG HA H 1 4.407 0.02 . 1 . . . . 101 ARG HA . 17245 1 1123 . 1 1 101 101 ARG HB2 H 1 1.925 0.02 . 2 . . . . 101 ARG HB2 . 17245 1 1124 . 1 1 101 101 ARG HB3 H 1 1.825 0.02 . 2 . . . . 101 ARG HB3 . 17245 1 1125 . 1 1 101 101 ARG HD2 H 1 3.259 0.02 . 2 . . . . 101 ARG HD2 . 17245 1 1126 . 1 1 101 101 ARG HD3 H 1 3.259 0.02 . 2 . . . . 101 ARG HD3 . 17245 1 1127 . 1 1 101 101 ARG HG2 H 1 1.703 0.02 . 2 . . . . 101 ARG HG2 . 17245 1 1128 . 1 1 101 101 ARG HG3 H 1 1.703 0.02 . 2 . . . . 101 ARG HG3 . 17245 1 1129 . 1 1 101 101 ARG C C 13 176.439 0.1 . 1 . . . . 101 ARG C . 17245 1 1130 . 1 1 101 101 ARG CA C 13 56.416 0.1 . 1 . . . . 101 ARG CA . 17245 1 1131 . 1 1 101 101 ARG CB C 13 31.150 0.1 . 1 . . . . 101 ARG CB . 17245 1 1132 . 1 1 101 101 ARG CD C 13 43.830 0.1 . 1 . . . . 101 ARG CD . 17245 1 1133 . 1 1 101 101 ARG CG C 13 27.319 0.1 . 1 . . . . 101 ARG CG . 17245 1 1134 . 1 1 101 101 ARG N N 15 123.442 0.1 . 1 . . . . 101 ARG N . 17245 1 1135 . 1 1 102 102 THR H H 1 8.286 0.02 . 1 . . . . 102 THR H . 17245 1 1136 . 1 1 102 102 THR HA H 1 4.383 0.02 . 1 . . . . 102 THR HA . 17245 1 1137 . 1 1 102 102 THR HB H 1 4.300 0.02 . 1 . . . . 102 THR HB . 17245 1 1138 . 1 1 102 102 THR HG21 H 1 1.239 0.02 . 1 . . . . 102 THR QG2 . 17245 1 1139 . 1 1 102 102 THR HG22 H 1 1.239 0.02 . 1 . . . . 102 THR QG2 . 17245 1 1140 . 1 1 102 102 THR HG23 H 1 1.239 0.02 . 1 . . . . 102 THR QG2 . 17245 1 1141 . 1 1 102 102 THR C C 13 174.498 0.1 . 1 . . . . 102 THR C . 17245 1 1142 . 1 1 102 102 THR CA C 13 62.069 0.1 . 1 . . . . 102 THR CA . 17245 1 1143 . 1 1 102 102 THR CB C 13 70.238 0.1 . 1 . . . . 102 THR CB . 17245 1 1144 . 1 1 102 102 THR CG2 C 13 21.754 0.1 . 1 . . . . 102 THR CG2 . 17245 1 1145 . 1 1 102 102 THR N N 15 116.093 0.1 . 1 . . . . 102 THR N . 17245 1 1146 . 1 1 103 103 GLU H H 1 8.523 0.02 . 1 . . . . 103 GLU H . 17245 1 1147 . 1 1 103 103 GLU HA H 1 4.388 0.02 . 1 . . . . 103 GLU HA . 17245 1 1148 . 1 1 103 103 GLU HB2 H 1 2.095 0.02 . 2 . . . . 103 GLU HB2 . 17245 1 1149 . 1 1 103 103 GLU HB3 H 1 1.980 0.02 . 2 . . . . 103 GLU HB3 . 17245 1 1150 . 1 1 103 103 GLU HG2 H 1 2.323 0.02 . 2 . . . . 103 GLU HG2 . 17245 1 1151 . 1 1 103 103 GLU HG3 H 1 2.323 0.02 . 2 . . . . 103 GLU HG3 . 17245 1 1152 . 1 1 103 103 GLU C C 13 176.352 0.1 . 1 . . . . 103 GLU C . 17245 1 1153 . 1 1 103 103 GLU CA C 13 56.598 0.1 . 1 . . . . 103 GLU CA . 17245 1 1154 . 1 1 103 103 GLU CB C 13 30.603 0.1 . 1 . . . . 103 GLU CB . 17245 1 1155 . 1 1 103 103 GLU CG C 13 36.441 0.1 . 1 . . . . 103 GLU CG . 17245 1 1156 . 1 1 103 103 GLU N N 15 124.044 0.1 . 1 . . . . 103 GLU N . 17245 1 1157 . 1 1 104 104 ARG H H 1 8.487 0.02 . 1 . . . . 104 ARG H . 17245 1 1158 . 1 1 104 104 ARG HA H 1 4.396 0.02 . 1 . . . . 104 ARG HA . 17245 1 1159 . 1 1 104 104 ARG HB2 H 1 1.927 0.02 . 2 . . . . 104 ARG HB2 . 17245 1 1160 . 1 1 104 104 ARG HB3 H 1 1.825 0.02 . 2 . . . . 104 ARG HB3 . 17245 1 1161 . 1 1 104 104 ARG HD2 H 1 3.249 0.02 . 2 . . . . 104 ARG HD2 . 17245 1 1162 . 1 1 104 104 ARG HD3 H 1 3.249 0.02 . 2 . . . . 104 ARG HD3 . 17245 1 1163 . 1 1 104 104 ARG HG2 H 1 1.668 0.02 . 2 . . . . 104 ARG HG2 . 17245 1 1164 . 1 1 104 104 ARG HG3 H 1 1.668 0.02 . 2 . . . . 104 ARG HG3 . 17245 1 1165 . 1 1 104 104 ARG C C 13 176.352 0.1 . 1 . . . . 104 ARG C . 17245 1 1166 . 1 1 104 104 ARG CA C 13 56.382 0.1 . 1 . . . . 104 ARG CA . 17245 1 1167 . 1 1 104 104 ARG CB C 13 31.515 0.1 . 1 . . . . 104 ARG CB . 17245 1 1168 . 1 1 104 104 ARG CD C 13 43.647 0.1 . 1 . . . . 104 ARG CD . 17245 1 1169 . 1 1 104 104 ARG CG C 13 27.136 0.1 . 1 . . . . 104 ARG CG . 17245 1 1170 . 1 1 104 104 ARG N N 15 122.268 0.1 . 1 . . . . 104 ARG N . 17245 1 1171 . 1 1 105 105 SER H H 1 8.415 0.02 . 1 . . . . 105 SER H . 17245 1 1172 . 1 1 105 105 SER HA H 1 4.476 0.02 . 1 . . . . 105 SER HA . 17245 1 1173 . 1 1 105 105 SER HB2 H 1 3.911 0.02 . 2 . . . . 105 SER HB2 . 17245 1 1174 . 1 1 105 105 SER HB3 H 1 3.911 0.02 . 2 . . . . 105 SER HB3 . 17245 1 1175 . 1 1 105 105 SER C C 13 174.484 0.1 . 1 . . . . 105 SER C . 17245 1 1176 . 1 1 105 105 SER CA C 13 58.562 0.1 . 1 . . . . 105 SER CA . 17245 1 1177 . 1 1 105 105 SER CB C 13 64.126 0.1 . 1 . . . . 105 SER CB . 17245 1 1178 . 1 1 105 105 SER N N 15 117.275 0.1 . 1 . . . . 105 SER N . 17245 1 1179 . 1 1 106 106 GLN H H 1 8.506 0.02 . 1 . . . . 106 GLN H . 17245 1 1180 . 1 1 106 106 GLN HA H 1 4.486 0.02 . 1 . . . . 106 GLN HA . 17245 1 1181 . 1 1 106 106 GLN HB2 H 1 2.188 0.02 . 2 . . . . 106 GLN HB2 . 17245 1 1182 . 1 1 106 106 GLN HB3 H 1 2.023 0.02 . 2 . . . . 106 GLN HB3 . 17245 1 1183 . 1 1 106 106 GLN HG2 H 1 2.415 0.02 . 2 . . . . 106 GLN HG2 . 17245 1 1184 . 1 1 106 106 GLN HG3 H 1 2.415 0.02 . 2 . . . . 106 GLN HG3 . 17245 1 1185 . 1 1 106 106 GLN C C 13 175.841 0.1 . 1 . . . . 106 GLN C . 17245 1 1186 . 1 1 106 106 GLN CA C 13 55.813 0.1 . 1 . . . . 106 GLN CA . 17245 1 1187 . 1 1 106 106 GLN CB C 13 29.964 0.1 . 1 . . . . 106 GLN CB . 17245 1 1188 . 1 1 106 106 GLN CG C 13 33.978 0.1 . 1 . . . . 106 GLN CG . 17245 1 1189 . 1 1 106 106 GLN N N 15 122.267 0.1 . 1 . . . . 106 GLN N . 17245 1 1190 . 1 1 107 107 THR H H 1 8.297 0.02 . 1 . . . . 107 THR H . 17245 1 1191 . 1 1 107 107 THR CA C 13 60.092 0.1 . 1 . . . . 107 THR CA . 17245 1 1192 . 1 1 107 107 THR CB C 13 70.101 0.1 . 1 . . . . 107 THR CB . 17245 1 1193 . 1 1 107 107 THR N N 15 118.211 0.1 . 1 . . . . 107 THR N . 17245 1 1194 . 1 1 108 108 PRO HA H 1 4.486 0.02 . 1 . . . . 108 PRO HA . 17245 1 1195 . 1 1 108 108 PRO HB2 H 1 2.340 0.02 . 2 . . . . 108 PRO HB2 . 17245 1 1196 . 1 1 108 108 PRO HB3 H 1 1.957 0.02 . 2 . . . . 108 PRO HB3 . 17245 1 1197 . 1 1 108 108 PRO HD2 H 1 3.906 0.02 . 2 . . . . 108 PRO HD2 . 17245 1 1198 . 1 1 108 108 PRO HD3 H 1 3.760 0.02 . 2 . . . . 108 PRO HD3 . 17245 1 1199 . 1 1 108 108 PRO HG2 H 1 2.059 0.02 . 2 . . . . 108 PRO HG2 . 17245 1 1200 . 1 1 108 108 PRO HG3 H 1 2.059 0.02 . 2 . . . . 108 PRO HG3 . 17245 1 1201 . 1 1 108 108 PRO C C 13 176.862 0.1 . 1 . . . . 108 PRO C . 17245 1 1202 . 1 1 108 108 PRO CA C 13 63.504 0.1 . 1 . . . . 108 PRO CA . 17245 1 1203 . 1 1 108 108 PRO CB C 13 32.485 0.1 . 1 . . . . 108 PRO CB . 17245 1 1204 . 1 1 108 108 PRO CD C 13 51.310 0.1 . 1 . . . . 108 PRO CD . 17245 1 1205 . 1 1 108 108 PRO CG C 13 27.775 0.1 . 1 . . . . 108 PRO CG . 17245 1 1206 . 1 1 109 109 LYS H H 1 8.453 0.02 . 1 . . . . 109 LYS H . 17245 1 1207 . 1 1 109 109 LYS HA H 1 4.383 0.02 . 1 . . . . 109 LYS HA . 17245 1 1208 . 1 1 109 109 LYS HB2 H 1 1.880 0.02 . 2 . . . . 109 LYS HB2 . 17245 1 1209 . 1 1 109 109 LYS HB3 H 1 1.880 0.02 . 2 . . . . 109 LYS HB3 . 17245 1 1210 . 1 1 109 109 LYS HD2 H 1 1.735 0.02 . 2 . . . . 109 LYS HD2 . 17245 1 1211 . 1 1 109 109 LYS HD3 H 1 1.735 0.02 . 2 . . . . 109 LYS HD3 . 17245 1 1212 . 1 1 109 109 LYS HE2 H 1 3.106 0.02 . 2 . . . . 109 LYS HE2 . 17245 1 1213 . 1 1 109 109 LYS HE3 H 1 3.106 0.02 . 2 . . . . 109 LYS HE3 . 17245 1 1214 . 1 1 109 109 LYS HG2 H 1 1.495 0.02 . 2 . . . . 109 LYS HG2 . 17245 1 1215 . 1 1 109 109 LYS HG3 H 1 1.495 0.02 . 2 . . . . 109 LYS HG3 . 17245 1 1216 . 1 1 109 109 LYS C C 13 176.731 0.1 . 1 . . . . 109 LYS C . 17245 1 1217 . 1 1 109 109 LYS CA C 13 56.463 0.1 . 1 . . . . 109 LYS CA . 17245 1 1218 . 1 1 109 109 LYS CB C 13 33.522 0.1 . 1 . . . . 109 LYS CB . 17245 1 1219 . 1 1 109 109 LYS CD C 13 29.234 0.1 . 1 . . . . 109 LYS CD . 17245 1 1220 . 1 1 109 109 LYS CG C 13 25.038 0.1 . 1 . . . . 109 LYS CG . 17245 1 1221 . 1 1 109 109 LYS N N 15 121.556 0.1 . 1 . . . . 109 LYS N . 17245 1 1222 . 1 1 110 110 GLY H H 1 8.213 0.02 . 1 . . . . 110 GLY H . 17245 1 1223 . 1 1 110 110 GLY CA C 13 44.222 0.1 . 1 . . . . 110 GLY CA . 17245 1 1224 . 1 1 110 110 GLY N N 15 110.094 0.1 . 1 . . . . 110 GLY N . 17245 1 stop_ save_