data_26603 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26603 _Entry.Title ; Sequence-specific 1H, 15N, and 13C resonance assignments of the autophagy-related protein LC3C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-10 _Entry.Accession_date 2015-07-10 _Entry.Last_release_date 2015-09-30 _Entry.Original_release_date 2015-09-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Carsten Krichel . . . . 26603 2 Oliver Weiergraeber . H. . . 26603 3 Dieter Willbold . . . . 26603 4 Philipp Neudecker . . . . 26603 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of Complex Systems, ICS-6: Structural Biochemistry, Forschungszentrum Juelich' . 26603 2 . 'Institute of Physical Biology and BMFZ, Heinrich Heine University Duesseldorf' . 26603 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26603 coupling_constants 1 26603 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 593 26603 '15N chemical shifts' 131 26603 '1H chemical shifts' 952 26603 'coupling constants' 94 26603 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-07-11 2015-07-01 update BMRB 'update entry citation' 26603 1 . . 2015-09-30 2015-07-01 original author 'original release' 26603 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID SP Q9BXW4 . 26603 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26603 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26280529 _Citation.Full_citation . _Citation.Title ; Sequence-specific 1H, 15N, and 13C resonance assignments of the autophagy-related protein LC3C ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 41 _Citation.Page_last 43 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Carsten Krichel . . . . 26603 1 2 Oliver Weiergraeber . . . . 26603 1 3 Marina Pavlidou . . . . 26603 1 4 Jeannine Mohrlueder . . . . 26603 1 5 Melanie Schwarten . . . . 26603 1 6 Dieter Willbold . . . . 26603 1 7 Philipp Neudecker . . . . 26603 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID LC3C 26603 1 MAP1LC3C 26603 1 'Microtubulus-associated proteins light chain 3C' 26603 1 autophagy 26603 1 'heteronuclear NMR' 26603 1 'sequence-specific resonance assignments' 26603 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26603 _Assembly.ID 1 _Assembly.Name 'Microtubule-associated protein light chain 3C (LC3C)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14783.2 _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 'Microtubule-associated protein light chain 3C (LC3C)' 1 $Microtubule-associated_protein_light_chain_3C_(LC3C) A . yes native no no . . . 26603 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3VVW . . X-ray 2.50 . . 26603 1 yes PDB 3WAM . . X-ray 1.75 . . 26603 1 yes PDB 3WAP . . X-ray 3.10 . . 26603 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Microtubule-associated_protein_light_chain_3C_(LC3C) _Entity.Sf_category entity _Entity.Sf_framecode Microtubule-associated_protein_light_chain_3C_(LC3C) _Entity.Entry_ID 26603 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Microtubule-associated_protein_light_chain_3C_(LC3C) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMPPPQKIPSVRPFKQRKS LAIRQEEVAGIRAKFPNKIP VVVERYPRETFLPPLDKTKF LVPQELTMTQFLSIIRSRMV LRATEAFYLLVNNKSLVSMS ATMAEIYRDYKDEDGFVYMT YASQETFG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq -1,0,1,2,...,126 _Entity.Polymer_author_seq_details 'Residues Gly-1 and Ser0 are cloning artifacts from protease cleavage.' _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14783.2 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP Q9BXW4 . 'Microtubule-associated protein light chain 3C (LC3C)' . . . . . . . . . . . . . . 26603 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 -1 GLY . 26603 1 2 0 SER . 26603 1 3 1 MET . 26603 1 4 2 PRO . 26603 1 5 3 PRO . 26603 1 6 4 PRO . 26603 1 7 5 GLN . 26603 1 8 6 LYS . 26603 1 9 7 ILE . 26603 1 10 8 PRO . 26603 1 11 9 SER . 26603 1 12 10 VAL . 26603 1 13 11 ARG . 26603 1 14 12 PRO . 26603 1 15 13 PHE . 26603 1 16 14 LYS . 26603 1 17 15 GLN . 26603 1 18 16 ARG . 26603 1 19 17 LYS . 26603 1 20 18 SER . 26603 1 21 19 LEU . 26603 1 22 20 ALA . 26603 1 23 21 ILE . 26603 1 24 22 ARG . 26603 1 25 23 GLN . 26603 1 26 24 GLU . 26603 1 27 25 GLU . 26603 1 28 26 VAL . 26603 1 29 27 ALA . 26603 1 30 28 GLY . 26603 1 31 29 ILE . 26603 1 32 30 ARG . 26603 1 33 31 ALA . 26603 1 34 32 LYS . 26603 1 35 33 PHE . 26603 1 36 34 PRO . 26603 1 37 35 ASN . 26603 1 38 36 LYS . 26603 1 39 37 ILE . 26603 1 40 38 PRO . 26603 1 41 39 VAL . 26603 1 42 40 VAL . 26603 1 43 41 VAL . 26603 1 44 42 GLU . 26603 1 45 43 ARG . 26603 1 46 44 TYR . 26603 1 47 45 PRO . 26603 1 48 46 ARG . 26603 1 49 47 GLU . 26603 1 50 48 THR . 26603 1 51 49 PHE . 26603 1 52 50 LEU . 26603 1 53 51 PRO . 26603 1 54 52 PRO . 26603 1 55 53 LEU . 26603 1 56 54 ASP . 26603 1 57 55 LYS . 26603 1 58 56 THR . 26603 1 59 57 LYS . 26603 1 60 58 PHE . 26603 1 61 59 LEU . 26603 1 62 60 VAL . 26603 1 63 61 PRO . 26603 1 64 62 GLN . 26603 1 65 63 GLU . 26603 1 66 64 LEU . 26603 1 67 65 THR . 26603 1 68 66 MET . 26603 1 69 67 THR . 26603 1 70 68 GLN . 26603 1 71 69 PHE . 26603 1 72 70 LEU . 26603 1 73 71 SER . 26603 1 74 72 ILE . 26603 1 75 73 ILE . 26603 1 76 74 ARG . 26603 1 77 75 SER . 26603 1 78 76 ARG . 26603 1 79 77 MET . 26603 1 80 78 VAL . 26603 1 81 79 LEU . 26603 1 82 80 ARG . 26603 1 83 81 ALA . 26603 1 84 82 THR . 26603 1 85 83 GLU . 26603 1 86 84 ALA . 26603 1 87 85 PHE . 26603 1 88 86 TYR . 26603 1 89 87 LEU . 26603 1 90 88 LEU . 26603 1 91 89 VAL . 26603 1 92 90 ASN . 26603 1 93 91 ASN . 26603 1 94 92 LYS . 26603 1 95 93 SER . 26603 1 96 94 LEU . 26603 1 97 95 VAL . 26603 1 98 96 SER . 26603 1 99 97 MET . 26603 1 100 98 SER . 26603 1 101 99 ALA . 26603 1 102 100 THR . 26603 1 103 101 MET . 26603 1 104 102 ALA . 26603 1 105 103 GLU . 26603 1 106 104 ILE . 26603 1 107 105 TYR . 26603 1 108 106 ARG . 26603 1 109 107 ASP . 26603 1 110 108 TYR . 26603 1 111 109 LYS . 26603 1 112 110 ASP . 26603 1 113 111 GLU . 26603 1 114 112 ASP . 26603 1 115 113 GLY . 26603 1 116 114 PHE . 26603 1 117 115 VAL . 26603 1 118 116 TYR . 26603 1 119 117 MET . 26603 1 120 118 THR . 26603 1 121 119 TYR . 26603 1 122 120 ALA . 26603 1 123 121 SER . 26603 1 124 122 GLN . 26603 1 125 123 GLU . 26603 1 126 124 THR . 26603 1 127 125 PHE . 26603 1 128 126 GLY . 26603 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 . GLY 1 1 26603 1 . SER 2 2 26603 1 . MET 3 3 26603 1 . PRO 4 4 26603 1 . PRO 5 5 26603 1 . PRO 6 6 26603 1 . GLN 7 7 26603 1 . LYS 8 8 26603 1 . ILE 9 9 26603 1 . PRO 10 10 26603 1 . SER 11 11 26603 1 . VAL 12 12 26603 1 . ARG 13 13 26603 1 . PRO 14 14 26603 1 . PHE 15 15 26603 1 . LYS 16 16 26603 1 . GLN 17 17 26603 1 . ARG 18 18 26603 1 . LYS 19 19 26603 1 . SER 20 20 26603 1 . LEU 21 21 26603 1 . ALA 22 22 26603 1 . ILE 23 23 26603 1 . ARG 24 24 26603 1 . GLN 25 25 26603 1 . GLU 26 26 26603 1 . GLU 27 27 26603 1 . VAL 28 28 26603 1 . ALA 29 29 26603 1 . GLY 30 30 26603 1 . ILE 31 31 26603 1 . ARG 32 32 26603 1 . ALA 33 33 26603 1 . LYS 34 34 26603 1 . PHE 35 35 26603 1 . PRO 36 36 26603 1 . ASN 37 37 26603 1 . LYS 38 38 26603 1 . ILE 39 39 26603 1 . PRO 40 40 26603 1 . VAL 41 41 26603 1 . VAL 42 42 26603 1 . VAL 43 43 26603 1 . GLU 44 44 26603 1 . ARG 45 45 26603 1 . TYR 46 46 26603 1 . PRO 47 47 26603 1 . ARG 48 48 26603 1 . GLU 49 49 26603 1 . THR 50 50 26603 1 . PHE 51 51 26603 1 . LEU 52 52 26603 1 . PRO 53 53 26603 1 . PRO 54 54 26603 1 . LEU 55 55 26603 1 . ASP 56 56 26603 1 . LYS 57 57 26603 1 . THR 58 58 26603 1 . LYS 59 59 26603 1 . PHE 60 60 26603 1 . LEU 61 61 26603 1 . VAL 62 62 26603 1 . PRO 63 63 26603 1 . GLN 64 64 26603 1 . GLU 65 65 26603 1 . LEU 66 66 26603 1 . THR 67 67 26603 1 . MET 68 68 26603 1 . THR 69 69 26603 1 . GLN 70 70 26603 1 . PHE 71 71 26603 1 . LEU 72 72 26603 1 . SER 73 73 26603 1 . ILE 74 74 26603 1 . ILE 75 75 26603 1 . ARG 76 76 26603 1 . SER 77 77 26603 1 . ARG 78 78 26603 1 . MET 79 79 26603 1 . VAL 80 80 26603 1 . LEU 81 81 26603 1 . ARG 82 82 26603 1 . ALA 83 83 26603 1 . THR 84 84 26603 1 . GLU 85 85 26603 1 . ALA 86 86 26603 1 . PHE 87 87 26603 1 . TYR 88 88 26603 1 . LEU 89 89 26603 1 . LEU 90 90 26603 1 . VAL 91 91 26603 1 . ASN 92 92 26603 1 . ASN 93 93 26603 1 . LYS 94 94 26603 1 . SER 95 95 26603 1 . LEU 96 96 26603 1 . VAL 97 97 26603 1 . SER 98 98 26603 1 . MET 99 99 26603 1 . SER 100 100 26603 1 . ALA 101 101 26603 1 . THR 102 102 26603 1 . MET 103 103 26603 1 . ALA 104 104 26603 1 . GLU 105 105 26603 1 . ILE 106 106 26603 1 . TYR 107 107 26603 1 . ARG 108 108 26603 1 . ASP 109 109 26603 1 . TYR 110 110 26603 1 . LYS 111 111 26603 1 . ASP 112 112 26603 1 . GLU 113 113 26603 1 . ASP 114 114 26603 1 . GLY 115 115 26603 1 . PHE 116 116 26603 1 . VAL 117 117 26603 1 . TYR 118 118 26603 1 . MET 119 119 26603 1 . THR 120 120 26603 1 . TYR 121 121 26603 1 . ALA 122 122 26603 1 . SER 123 123 26603 1 . GLN 124 124 26603 1 . GLU 125 125 26603 1 . THR 126 126 26603 1 . PHE 127 127 26603 1 . GLY 128 128 26603 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 26603 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Microtubule-associated_protein_light_chain_3C_(LC3C) . 9606 organism . 'Homo sapiens' human? . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26603 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 26603 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Microtubule-associated_protein_light_chain_3C_(LC3C) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rosetta2 . . . . . pGEX-4T2 . . . 26603 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_15N_H2O _Sample.Sf_category sample _Sample.Sf_framecode sample_15N_H2O _Sample.Entry_ID 26603 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Microtubule-associated protein light chain 3C (LC3C)' [U-15N] . . 1 $Microtubule-associated_protein_light_chain_3C_(LC3C) . . . 0.35 0.7 mM . . . . 26603 1 2 PIPES 'natural abundance' . . . . . . 20 . . mM . . . . 26603 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26603 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 26603 1 5 glycerol [U-2H] . . . . . . 2 . . '% v/v' . . . . 26603 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26603 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26603 1 stop_ save_ save_sample_13C15N_H2O _Sample.Sf_category sample _Sample.Sf_framecode sample_13C15N_H2O _Sample.Entry_ID 26603 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Microtubule-associated protein light chain 3C (LC3C)' '[U-13C; U-15N]' . . 1 $Microtubule-associated_protein_light_chain_3C_(LC3C) . . . 0.35 0.7 mM . . . . 26603 2 2 PIPES 'natural abundance' . . . . . . 20 . . mM . . . . 26603 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26603 2 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 26603 2 5 glycerol U-2H] . . . . . . 2 . . '% v/v' . . . . 26603 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26603 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26603 2 stop_ save_ save_sample_13C15N_D2O _Sample.Sf_category sample _Sample.Sf_framecode sample_13C15N_D2O _Sample.Entry_ID 26603 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Microtubule-associated protein light chain 3C (LC3C)' '[U-13C; U-15N]' . . 1 $Microtubule-associated_protein_light_chain_3C_(LC3C) . . . 0.35 0.7 mM . . . . 26603 3 2 PIPES 'natural abundance' . . . . . . 20 . . mM . . . . 26603 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26603 3 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 26603 3 5 glycerol [U-2H] . . . . . . 2 . . '% v/v' . . . . 26603 3 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 26603 3 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 26603 _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' 171 . mM 26603 1 pH 6.0 . pH 26603 1 pressure 1 . atm 26603 1 temperature 293.15 . K 26603 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26603 _Software.ID 1 _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' . . 26603 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26603 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 26603 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 26603 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26603 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 26603 _Software.ID 3 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26603 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26603 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26603 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26603 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26603 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 26603 1 2 spectrometer_2 Varian INOVA . 600 . . . 26603 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 26603 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $sample_13C15N_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_13C15N_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26603 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26603 1 6 '3D 1H-15N 1H-15N NOESY' no . . . . . . . . . . 1 $sample_15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 7 '3D HNHA' no . . . . . . . . . . 2 $sample_13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_13C15N_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 9 '3D HNCO' no . . . . . . . . . . 2 $sample_13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 10 '3D HNCA' no . . . . . . . . . . 2 $sample_13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 11 '3D HNCACB' no . . . . . . . . . . 2 $sample_13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 13 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 14 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 15 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 16 '3D H(C)CH-COSY' no . . . . . . . . . . 3 $sample_13C15N_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 17 '3D (H)CCH-COSY' no . . . . . . . . . . 3 $sample_13C15N_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 18 '3D HC(C)H-TOCSY' no . . . . . . . . . . 3 $sample_13C15N_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 19 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_13C15N_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 1 20 '3D 1H-13C 1H-15N NOESY' no . . . . . . . . . . 2 $sample_13C15N_H2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26603 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 26603 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26603 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26603 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26603 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 26603 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 26603 1 2 '2D 1H-1H NOESY' . . . 26603 1 3 '2D 1H-15N HSQC' . . . 26603 1 4 '3D 1H-15N TOCSY' . . . 26603 1 5 '3D 1H-15N NOESY' . . . 26603 1 6 '3D 1H-15N 1H-15N NOESY' . . . 26603 1 7 '3D HNHA' . . . 26603 1 8 '2D 1H-13C HSQC' . . . 26603 1 9 '3D HNCO' . . . 26603 1 10 '3D HNCA' . . . 26603 1 11 '3D HNCACB' . . . 26603 1 12 '3D CBCA(CO)NH' . . . 26603 1 13 '3D HBHA(CO)NH' . . . 26603 1 14 '3D C(CO)NH' . . . 26603 1 15 '3D H(CCO)NH' . . . 26603 1 16 '3D H(C)CH-COSY' . . . 26603 1 17 '3D (H)CCH-COSY' . . . 26603 1 18 '3D HC(C)H-TOCSY' . . . 26603 1 19 '3D 1H-13C NOESY' . . . 26603 1 20 '3D 1H-13C 1H-15N NOESY' . . . 26603 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 4.114 0 . 2 . 2 . . -1 GLY HA2 . 26603 1 2 . 1 1 1 1 GLY HA3 H 1 4.11 0 . 2 . 3 . . -1 GLY HA3 . 26603 1 3 . 1 1 1 1 GLY C C 13 170.287 0 . 1 . 4 . . -1 GLY C . 26603 1 4 . 1 1 1 1 GLY CA C 13 42.663 0 . 1 . 1 . . -1 GLY CA . 26603 1 5 . 1 1 2 2 SER H H 1 8.68 0 . 1 . 6 . . 0 SER H . 26603 1 6 . 1 1 2 2 SER HA H 1 4.529 0.006 . 1 . 8 . . 0 SER HA . 26603 1 7 . 1 1 2 2 SER HB2 H 1 3.872 0.005 . 1 . 10 . . 0 SER HB2 . 26603 1 8 . 1 1 2 2 SER HB3 H 1 3.872 0.005 . 1 . 11 . . 0 SER HB3 . 26603 1 9 . 1 1 2 2 SER C C 13 174.164 0 . 1 . 12 . . 0 SER C . 26603 1 10 . 1 1 2 2 SER CA C 13 58.201 0.004 . 1 . 7 . . 0 SER CA . 26603 1 11 . 1 1 2 2 SER CB C 13 64.02 0 . 1 . 9 . . 0 SER CB . 26603 1 12 . 1 1 2 2 SER N N 15 115.77 0 . 1 . 5 . . 0 SER N . 26603 1 13 . 1 1 3 3 MET H H 1 8.518 0.01 . 1 . 14 . . 1 MET H . 26603 1 14 . 1 1 3 3 MET HA H 1 4.854 0.013 . 1 . 16 . . 1 MET HA . 26603 1 15 . 1 1 3 3 MET HB2 H 1 2.036 0.034 . 2 . 18 . . 1 MET HB2 . 26603 1 16 . 1 1 3 3 MET HB3 H 1 2.033 0.045 . 2 . 19 . . 1 MET HB3 . 26603 1 17 . 1 1 3 3 MET HG2 H 1 2.639 0.027 . 2 . 21 . . 1 MET HG2 . 26603 1 18 . 1 1 3 3 MET HG3 H 1 2.615 0.005 . 2 . 22 . . 1 MET HG3 . 26603 1 19 . 1 1 3 3 MET HE1 H 1 1.99 0.002 . 1 . 24 . . 1 MET HE1 . 26603 1 20 . 1 1 3 3 MET HE2 H 1 1.99 0.002 . 1 . 24 . . 1 MET HE2 . 26603 1 21 . 1 1 3 3 MET HE3 H 1 1.99 0.002 . 1 . 24 . . 1 MET HE3 . 26603 1 22 . 1 1 3 3 MET CA C 13 53.266 0.03 . 1 . 15 . . 1 MET CA . 26603 1 23 . 1 1 3 3 MET CB C 13 32.445 0.033 . 1 . 17 . . 1 MET CB . 26603 1 24 . 1 1 3 3 MET CG C 13 32.151 0.152 . 1 . 20 . . 1 MET CG . 26603 1 25 . 1 1 3 3 MET CE C 13 16.783 0.049 . 1 . 23 . . 1 MET CE . 26603 1 26 . 1 1 3 3 MET N N 15 123.571 0.068 . 1 . 13 . . 1 MET N . 26603 1 27 . 1 1 4 4 PRO HA H 1 5.015 0.001 . 1 . 1418 . . 2 PRO HA . 26603 1 28 . 1 1 4 4 PRO HB2 H 1 2.498 0.013 . 2 . 1426 . . 2 PRO HB2 . 26603 1 29 . 1 1 4 4 PRO HB3 H 1 2.117 0.022 . 2 . 1427 . . 2 PRO HB3 . 26603 1 30 . 1 1 4 4 PRO HG2 H 1 1.964 0.028 . 2 . 1420 . . 2 PRO HG2 . 26603 1 31 . 1 1 4 4 PRO HG3 H 1 1.913 0.044 . 2 . 1421 . . 2 PRO HG3 . 26603 1 32 . 1 1 4 4 PRO CA C 13 61.893 0.05 . 1 . 1417 . . 2 PRO CA . 26603 1 33 . 1 1 4 4 PRO CB C 13 33.004 0.142 . 1 . 1425 . . 2 PRO CB . 26603 1 34 . 1 1 4 4 PRO CG C 13 24.829 0.006 . 1 . 1419 . . 2 PRO CG . 26603 1 35 . 1 1 5 5 PRO HA H 1 4.727 0.001 . 1 . 1409 . . 3 PRO HA . 26603 1 36 . 1 1 5 5 PRO HB2 H 1 2.37 0.006 . 2 . 1423 . . 3 PRO HB2 . 26603 1 37 . 1 1 5 5 PRO HB3 H 1 1.914 0.003 . 2 . 1424 . . 3 PRO HB3 . 26603 1 38 . 1 1 5 5 PRO HD2 H 1 3.932 0.032 . 2 . 1410 . . 3 PRO HD2 . 26603 1 39 . 1 1 5 5 PRO HD3 H 1 3.674 0.016 . 2 . 1412 . . 3 PRO HD3 . 26603 1 40 . 1 1 5 5 PRO CA C 13 61.436 0.006 . 1 . 1383 . . 3 PRO CA . 26603 1 41 . 1 1 5 5 PRO CB C 13 30.79 0.042 . 1 . 1422 . . 3 PRO CB . 26603 1 42 . 1 1 5 5 PRO CD C 13 50.629 0.113 . 1 . 1411 . . 3 PRO CD . 26603 1 43 . 1 1 6 6 PRO HA H 1 4.419 0.006 . 1 . 26 . . 4 PRO HA . 26603 1 44 . 1 1 6 6 PRO HB2 H 1 2.314 0.01 . 2 . 28 . . 4 PRO HB2 . 26603 1 45 . 1 1 6 6 PRO HB3 H 1 1.912 0.005 . 2 . 29 . . 4 PRO HB3 . 26603 1 46 . 1 1 6 6 PRO HG2 H 1 2.05 0.004 . 2 . 31 . . 4 PRO HG2 . 26603 1 47 . 1 1 6 6 PRO HG3 H 1 2.051 0.004 . 2 . 32 . . 4 PRO HG3 . 26603 1 48 . 1 1 6 6 PRO HD2 H 1 3.655 0.013 . 2 . 34 . . 4 PRO HD2 . 26603 1 49 . 1 1 6 6 PRO HD3 H 1 3.839 0.009 . 2 . 35 . . 4 PRO HD3 . 26603 1 50 . 1 1 6 6 PRO C C 13 176.938 0 . 1 . 36 . . 4 PRO C . 26603 1 51 . 1 1 6 6 PRO CA C 13 63.013 0.081 . 1 . 25 . . 4 PRO CA . 26603 1 52 . 1 1 6 6 PRO CB C 13 32.088 0.056 . 1 . 27 . . 4 PRO CB . 26603 1 53 . 1 1 6 6 PRO CG C 13 27.378 0.041 . 1 . 30 . . 4 PRO CG . 26603 1 54 . 1 1 6 6 PRO CD C 13 50.451 0.029 . 1 . 33 . . 4 PRO CD . 26603 1 55 . 1 1 7 7 GLN H H 1 8.444 0.004 . 1 . 38 . . 5 GLN H . 26603 1 56 . 1 1 7 7 GLN HA H 1 4.293 0.012 . 1 . 40 . . 5 GLN HA . 26603 1 57 . 1 1 7 7 GLN HB2 H 1 2.061 0.015 . 2 . 42 . . 5 GLN HB2 . 26603 1 58 . 1 1 7 7 GLN HB3 H 1 1.982 0.038 . 2 . 43 . . 5 GLN HB3 . 26603 1 59 . 1 1 7 7 GLN HG2 H 1 2.381 0.015 . 2 . 45 . . 5 GLN HG2 . 26603 1 60 . 1 1 7 7 GLN HG3 H 1 2.387 0.013 . 2 . 46 . . 5 GLN HG3 . 26603 1 61 . 1 1 7 7 GLN HE21 H 1 7.611 0.003 . 1 . 1701 . . 5 GLN HE21 . 26603 1 62 . 1 1 7 7 GLN HE22 H 1 6.928 0.003 . 1 . 1703 . . 5 GLN HE22 . 26603 1 63 . 1 1 7 7 GLN C C 13 175.917 0 . 1 . 48 . . 5 GLN C . 26603 1 64 . 1 1 7 7 GLN CA C 13 55.499 0.137 . 1 . 39 . . 5 GLN CA . 26603 1 65 . 1 1 7 7 GLN CB C 13 29.712 0.032 . 1 . 41 . . 5 GLN CB . 26603 1 66 . 1 1 7 7 GLN CG C 13 33.855 0.098 . 1 . 44 . . 5 GLN CG . 26603 1 67 . 1 1 7 7 GLN CD C 13 177.72 0 . 1 . 47 . . 5 GLN CD . 26603 1 68 . 1 1 7 7 GLN N N 15 120.623 0.021 . 1 . 37 . . 5 GLN N . 26603 1 69 . 1 1 7 7 GLN NE2 N 15 112.859 0.078 . 1 . 1702 . . 5 GLN NE2 . 26603 1 70 . 1 1 8 8 LYS H H 1 8.428 0.008 . 1 . 50 . . 6 LYS H . 26603 1 71 . 1 1 8 8 LYS HA H 1 4.307 0.009 . 1 . 52 . . 6 LYS HA . 26603 1 72 . 1 1 8 8 LYS HB2 H 1 1.75 0.038 . 2 . 54 . . 6 LYS HB2 . 26603 1 73 . 1 1 8 8 LYS HB3 H 1 1.719 0.025 . 2 . 55 . . 6 LYS HB3 . 26603 1 74 . 1 1 8 8 LYS HG2 H 1 1.43 0.011 . 2 . 57 . . 6 LYS HG2 . 26603 1 75 . 1 1 8 8 LYS HG3 H 1 1.409 0.023 . 2 . 58 . . 6 LYS HG3 . 26603 1 76 . 1 1 8 8 LYS HD2 H 1 1.692 0.002 . 1 . 60 . . 6 LYS HD2 . 26603 1 77 . 1 1 8 8 LYS HD3 H 1 1.692 0.002 . 1 . 61 . . 6 LYS HD3 . 26603 1 78 . 1 1 8 8 LYS HE2 H 1 2.993 0.003 . 2 . 63 . . 6 LYS HE2 . 26603 1 79 . 1 1 8 8 LYS HE3 H 1 2.99 0.003 . 2 . 64 . . 6 LYS HE3 . 26603 1 80 . 1 1 8 8 LYS C C 13 176.209 0 . 1 . 65 . . 6 LYS C . 26603 1 81 . 1 1 8 8 LYS CA C 13 56.233 0.098 . 1 . 51 . . 6 LYS CA . 26603 1 82 . 1 1 8 8 LYS CB C 13 33.025 0.052 . 1 . 53 . . 6 LYS CB . 26603 1 83 . 1 1 8 8 LYS CG C 13 24.802 0.011 . 1 . 56 . . 6 LYS CG . 26603 1 84 . 1 1 8 8 LYS CD C 13 29.64 0 . 1 . 59 . . 6 LYS CD . 26603 1 85 . 1 1 8 8 LYS CE C 13 41.909 0.002 . 1 . 62 . . 6 LYS CE . 26603 1 86 . 1 1 8 8 LYS N N 15 123.399 0.055 . 1 . 49 . . 6 LYS N . 26603 1 87 . 1 1 9 9 ILE H H 1 8.303 0.01 . 1 . 67 . . 7 ILE H . 26603 1 88 . 1 1 9 9 ILE HA H 1 4.469 0.009 . 1 . 69 . . 7 ILE HA . 26603 1 89 . 1 1 9 9 ILE HB H 1 1.874 0.008 . 1 . 71 . . 7 ILE HB . 26603 1 90 . 1 1 9 9 ILE HG12 H 1 1.51 0.006 . 2 . 73 . . 7 ILE HG12 . 26603 1 91 . 1 1 9 9 ILE HG13 H 1 1.187 0.007 . 2 . 74 . . 7 ILE HG13 . 26603 1 92 . 1 1 9 9 ILE HG21 H 1 0.952 0.014 . 1 . 78 . . 7 ILE HG21 . 26603 1 93 . 1 1 9 9 ILE HG22 H 1 0.952 0.014 . 1 . 78 . . 7 ILE HG22 . 26603 1 94 . 1 1 9 9 ILE HG23 H 1 0.952 0.014 . 1 . 78 . . 7 ILE HG23 . 26603 1 95 . 1 1 9 9 ILE HD11 H 1 0.877 0.019 . 1 . 76 . . 7 ILE HD11 . 26603 1 96 . 1 1 9 9 ILE HD12 H 1 0.877 0.019 . 1 . 76 . . 7 ILE HD12 . 26603 1 97 . 1 1 9 9 ILE HD13 H 1 0.877 0.019 . 1 . 76 . . 7 ILE HD13 . 26603 1 98 . 1 1 9 9 ILE CA C 13 58.467 0.019 . 1 . 68 . . 7 ILE CA . 26603 1 99 . 1 1 9 9 ILE CB C 13 38.616 0.029 . 1 . 70 . . 7 ILE CB . 26603 1 100 . 1 1 9 9 ILE CG1 C 13 27 0.1 . 1 . 72 . . 7 ILE CG1 . 26603 1 101 . 1 1 9 9 ILE CG2 C 13 17.072 0.038 . 1 . 77 . . 7 ILE CG2 . 26603 1 102 . 1 1 9 9 ILE CD1 C 13 12.683 0.018 . 1 . 75 . . 7 ILE CD1 . 26603 1 103 . 1 1 9 9 ILE N N 15 124.429 0.026 . 1 . 66 . . 7 ILE N . 26603 1 104 . 1 1 10 10 PRO HA H 1 4.44 0.005 . 1 . 80 . . 8 PRO HA . 26603 1 105 . 1 1 10 10 PRO HB2 H 1 2.322 0.009 . 2 . 82 . . 8 PRO HB2 . 26603 1 106 . 1 1 10 10 PRO HB3 H 1 1.916 0.01 . 2 . 83 . . 8 PRO HB3 . 26603 1 107 . 1 1 10 10 PRO HG2 H 1 2.024 0.008 . 2 . 85 . . 8 PRO HG2 . 26603 1 108 . 1 1 10 10 PRO HG3 H 1 2.031 0.01 . 2 . 86 . . 8 PRO HG3 . 26603 1 109 . 1 1 10 10 PRO HD2 H 1 3.897 0.013 . 2 . 88 . . 8 PRO HD2 . 26603 1 110 . 1 1 10 10 PRO HD3 H 1 3.711 0.015 . 2 . 89 . . 8 PRO HD3 . 26603 1 111 . 1 1 10 10 PRO C C 13 176.738 0 . 1 . 90 . . 8 PRO C . 26603 1 112 . 1 1 10 10 PRO CA C 13 63.095 0.083 . 1 . 79 . . 8 PRO CA . 26603 1 113 . 1 1 10 10 PRO CB C 13 32.152 0.065 . 1 . 81 . . 8 PRO CB . 26603 1 114 . 1 1 10 10 PRO CG C 13 27.425 0.04 . 1 . 84 . . 8 PRO CG . 26603 1 115 . 1 1 10 10 PRO CD C 13 51.06 0.116 . 1 . 87 . . 8 PRO CD . 26603 1 116 . 1 1 11 11 SER H H 1 8.415 0.017 . 1 . 92 . . 9 SER H . 26603 1 117 . 1 1 11 11 SER HA H 1 4.449 0.016 . 1 . 94 . . 9 SER HA . 26603 1 118 . 1 1 11 11 SER HB2 H 1 3.864 0.012 . 2 . 96 . . 9 SER HB2 . 26603 1 119 . 1 1 11 11 SER HB3 H 1 3.86 0.017 . 2 . 97 . . 9 SER HB3 . 26603 1 120 . 1 1 11 11 SER C C 13 174.445 0 . 1 . 98 . . 9 SER C . 26603 1 121 . 1 1 11 11 SER CA C 13 58.226 0.008 . 1 . 93 . . 9 SER CA . 26603 1 122 . 1 1 11 11 SER CB C 13 63.761 0.014 . 1 . 95 . . 9 SER CB . 26603 1 123 . 1 1 11 11 SER N N 15 116.702 0.032 . 1 . 91 . . 9 SER N . 26603 1 124 . 1 1 12 12 VAL H H 1 8.186 0.011 . 1 . 100 . . 10 VAL H . 26603 1 125 . 1 1 12 12 VAL HA H 1 4.205 0.013 . 1 . 102 . . 10 VAL HA . 26603 1 126 . 1 1 12 12 VAL HB H 1 2.075 0.022 . 1 . 104 . . 10 VAL HB . 26603 1 127 . 1 1 12 12 VAL HG11 H 1 0.951 0.008 . 2 . 108 . . 10 VAL HG11 . 26603 1 128 . 1 1 12 12 VAL HG12 H 1 0.951 0.008 . 2 . 108 . . 10 VAL HG12 . 26603 1 129 . 1 1 12 12 VAL HG13 H 1 0.951 0.008 . 2 . 108 . . 10 VAL HG13 . 26603 1 130 . 1 1 12 12 VAL HG21 H 1 0.94 0.006 . 2 . 106 . . 10 VAL HG21 . 26603 1 131 . 1 1 12 12 VAL HG22 H 1 0.94 0.006 . 2 . 106 . . 10 VAL HG22 . 26603 1 132 . 1 1 12 12 VAL HG23 H 1 0.94 0.006 . 2 . 106 . . 10 VAL HG23 . 26603 1 133 . 1 1 12 12 VAL C C 13 176.012 0 . 1 . 109 . . 10 VAL C . 26603 1 134 . 1 1 12 12 VAL CA C 13 61.73 0.032 . 1 . 101 . . 10 VAL CA . 26603 1 135 . 1 1 12 12 VAL CB C 13 33.002 0.078 . 1 . 103 . . 10 VAL CB . 26603 1 136 . 1 1 12 12 VAL CG1 C 13 21.203 0.044 . 2 . 107 . . 10 VAL CG1 . 26603 1 137 . 1 1 12 12 VAL CG2 C 13 20.524 0.159 . 2 . 105 . . 10 VAL CG2 . 26603 1 138 . 1 1 12 12 VAL N N 15 122.044 0.079 . 1 . 99 . . 10 VAL N . 26603 1 139 . 1 1 13 13 ARG H H 1 8.495 0.01 . 1 . 111 . . 11 ARG H . 26603 1 140 . 1 1 13 13 ARG HA H 1 4.579 0.011 . 1 . 113 . . 11 ARG HA . 26603 1 141 . 1 1 13 13 ARG HB2 H 1 1.706 0.027 . 2 . 115 . . 11 ARG HB2 . 26603 1 142 . 1 1 13 13 ARG HB3 H 1 1.691 0.014 . 2 . 116 . . 11 ARG HB3 . 26603 1 143 . 1 1 13 13 ARG HG2 H 1 1.727 0.011 . 2 . 118 . . 11 ARG HG2 . 26603 1 144 . 1 1 13 13 ARG HG3 H 1 1.692 0.018 . 2 . 119 . . 11 ARG HG3 . 26603 1 145 . 1 1 13 13 ARG HD2 H 1 3.178 0.014 . 2 . 121 . . 11 ARG HD2 . 26603 1 146 . 1 1 13 13 ARG HD3 H 1 3.186 0.008 . 2 . 122 . . 11 ARG HD3 . 26603 1 147 . 1 1 13 13 ARG HE H 1 7.193 0.022 . 1 . 1374 . . 11 ARG HE . 26603 1 148 . 1 1 13 13 ARG CA C 13 54.276 0.019 . 1 . 112 . . 11 ARG CA . 26603 1 149 . 1 1 13 13 ARG CB C 13 30.216 0.075 . 1 . 114 . . 11 ARG CB . 26603 1 150 . 1 1 13 13 ARG CG C 13 27.247 0.073 . 1 . 117 . . 11 ARG CG . 26603 1 151 . 1 1 13 13 ARG CD C 13 43.387 0.092 . 1 . 120 . . 11 ARG CD . 26603 1 152 . 1 1 13 13 ARG N N 15 126.672 0.104 . 1 . 110 . . 11 ARG N . 26603 1 153 . 1 1 13 13 ARG NE N 15 84.573 0.07 . 1 . 123 . . 11 ARG NE . 26603 1 154 . 1 1 14 14 PRO HA H 1 4.438 0.016 . 1 . 125 . . 12 PRO HA . 26603 1 155 . 1 1 14 14 PRO HB2 H 1 1.844 0.013 . 2 . 127 . . 12 PRO HB2 . 26603 1 156 . 1 1 14 14 PRO HB3 H 1 2.301 0.023 . 2 . 128 . . 12 PRO HB3 . 26603 1 157 . 1 1 14 14 PRO HG2 H 1 1.985 0.008 . 2 . 130 . . 12 PRO HG2 . 26603 1 158 . 1 1 14 14 PRO HG3 H 1 1.992 0.013 . 2 . 131 . . 12 PRO HG3 . 26603 1 159 . 1 1 14 14 PRO HD2 H 1 3.656 0.021 . 2 . 133 . . 12 PRO HD2 . 26603 1 160 . 1 1 14 14 PRO HD3 H 1 3.89 0.033 . 2 . 134 . . 12 PRO HD3 . 26603 1 161 . 1 1 14 14 PRO C C 13 176.589 0 . 1 . 135 . . 12 PRO C . 26603 1 162 . 1 1 14 14 PRO CA C 13 63.045 0.138 . 1 . 124 . . 12 PRO CA . 26603 1 163 . 1 1 14 14 PRO CB C 13 32.141 0.062 . 1 . 126 . . 12 PRO CB . 26603 1 164 . 1 1 14 14 PRO CG C 13 27.392 0.007 . 1 . 129 . . 12 PRO CG . 26603 1 165 . 1 1 14 14 PRO CD C 13 50.757 0.025 . 1 . 132 . . 12 PRO CD . 26603 1 166 . 1 1 15 15 PHE H H 1 8.288 0.017 . 1 . 137 . . 13 PHE H . 26603 1 167 . 1 1 15 15 PHE HA H 1 4.575 0.015 . 1 . 139 . . 13 PHE HA . 26603 1 168 . 1 1 15 15 PHE HB2 H 1 3.11 0.012 . 2 . 141 . . 13 PHE HB2 . 26603 1 169 . 1 1 15 15 PHE HB3 H 1 3.12 0.012 . 2 . 142 . . 13 PHE HB3 . 26603 1 170 . 1 1 15 15 PHE HD1 H 1 7.268 0.015 . 1 . 143 . . 13 PHE HD1 . 26603 1 171 . 1 1 15 15 PHE HD2 H 1 7.268 0.015 . 1 . 143 . . 13 PHE HD2 . 26603 1 172 . 1 1 15 15 PHE HE1 H 1 7.342 0.036 . 1 . 145 . . 13 PHE HE1 . 26603 1 173 . 1 1 15 15 PHE HE2 H 1 7.342 0.036 . 1 . 145 . . 13 PHE HE2 . 26603 1 174 . 1 1 15 15 PHE C C 13 175.633 0 . 1 . 147 . . 13 PHE C . 26603 1 175 . 1 1 15 15 PHE CA C 13 57.806 0.133 . 1 . 138 . . 13 PHE CA . 26603 1 176 . 1 1 15 15 PHE CB C 13 39.657 0.086 . 1 . 140 . . 13 PHE CB . 26603 1 177 . 1 1 15 15 PHE CD1 C 13 132.174 0 . 1 . 146 . . 13 PHE CD1 . 26603 1 178 . 1 1 15 15 PHE CD2 C 13 132.174 0 . 1 . 146 . . 13 PHE CD2 . 26603 1 179 . 1 1 15 15 PHE CE1 C 13 132.894 0.148 . 1 . 144 . . 13 PHE CE1 . 26603 1 180 . 1 1 15 15 PHE CE2 C 13 132.894 0.148 . 1 . 144 . . 13 PHE CE2 . 26603 1 181 . 1 1 15 15 PHE N N 15 121.053 0.069 . 1 . 136 . . 13 PHE N . 26603 1 182 . 1 1 16 16 LYS H H 1 8.175 0.019 . 1 . 149 . . 14 LYS H . 26603 1 183 . 1 1 16 16 LYS HA H 1 4.273 0.031 . 1 . 151 . . 14 LYS HA . 26603 1 184 . 1 1 16 16 LYS HB2 H 1 1.721 0.024 . 2 . 153 . . 14 LYS HB2 . 26603 1 185 . 1 1 16 16 LYS HB3 H 1 1.709 0.021 . 2 . 154 . . 14 LYS HB3 . 26603 1 186 . 1 1 16 16 LYS HG2 H 1 1.428 0.018 . 2 . 156 . . 14 LYS HG2 . 26603 1 187 . 1 1 16 16 LYS HG3 H 1 1.415 0.026 . 2 . 157 . . 14 LYS HG3 . 26603 1 188 . 1 1 16 16 LYS HD2 H 1 1.687 0.003 . 2 . 159 . . 14 LYS HD2 . 26603 1 189 . 1 1 16 16 LYS HD3 H 1 1.691 0.016 . 2 . 160 . . 14 LYS HD3 . 26603 1 190 . 1 1 16 16 LYS HE2 H 1 2.988 0 . 2 . 162 . . 14 LYS HE2 . 26603 1 191 . 1 1 16 16 LYS HE3 H 1 2.987 0 . 2 . 163 . . 14 LYS HE3 . 26603 1 192 . 1 1 16 16 LYS C C 13 175.74 0 . 1 . 164 . . 14 LYS C . 26603 1 193 . 1 1 16 16 LYS CA C 13 56.112 0.039 . 1 . 150 . . 14 LYS CA . 26603 1 194 . 1 1 16 16 LYS CB C 13 33.124 0.028 . 1 . 152 . . 14 LYS CB . 26603 1 195 . 1 1 16 16 LYS CG C 13 25.259 0.009 . 1 . 155 . . 14 LYS CG . 26603 1 196 . 1 1 16 16 LYS CD C 13 28.972 0.001 . 1 . 158 . . 14 LYS CD . 26603 1 197 . 1 1 16 16 LYS CE C 13 41.895 0 . 1 . 161 . . 14 LYS CE . 26603 1 198 . 1 1 16 16 LYS N N 15 123.505 0.058 . 1 . 148 . . 14 LYS N . 26603 1 199 . 1 1 17 17 GLN H H 1 8.341 0.012 . 1 . 166 . . 15 GLN H . 26603 1 200 . 1 1 17 17 GLN HA H 1 4.206 0.004 . 1 . 168 . . 15 GLN HA . 26603 1 201 . 1 1 17 17 GLN HB2 H 1 2.142 0 . 1 . 170 . . 15 GLN HB2 . 26603 1 202 . 1 1 17 17 GLN HB3 H 1 2.142 0 . 1 . 171 . . 15 GLN HB3 . 26603 1 203 . 1 1 17 17 GLN HG2 H 1 2.086 0.022 . 1 . 1711 . . 15 GLN HG2 . 26603 1 204 . 1 1 17 17 GLN HE21 H 1 6.834 0.013 . 1 . 1356 . . 15 GLN HE21 . 26603 1 205 . 1 1 17 17 GLN HE22 H 1 7.557 0.014 . 1 . 1358 . . 15 GLN HE22 . 26603 1 206 . 1 1 17 17 GLN CA C 13 56.768 0 . 1 . 167 . . 15 GLN CA . 26603 1 207 . 1 1 17 17 GLN CB C 13 29.489 0 . 1 . 169 . . 15 GLN CB . 26603 1 208 . 1 1 17 17 GLN CG C 13 33.797 0 . 1 . 1710 . . 15 GLN CG . 26603 1 209 . 1 1 17 17 GLN N N 15 122.234 0 . 1 . 165 . . 15 GLN N . 26603 1 210 . 1 1 17 17 GLN NE2 N 15 112.069 0.038 . 1 . 1357 . . 15 GLN NE2 . 26603 1 211 . 1 1 19 19 LYS HA H 1 4.547 0.013 . 1 . 176 . . 17 LYS HA . 26603 1 212 . 1 1 19 19 LYS HB2 H 1 1.629 0.006 . 2 . 178 . . 17 LYS HB2 . 26603 1 213 . 1 1 19 19 LYS HB3 H 1 1.636 0.005 . 2 . 179 . . 17 LYS HB3 . 26603 1 214 . 1 1 19 19 LYS HG2 H 1 1.668 0 . 2 . 181 . . 17 LYS HG2 . 26603 1 215 . 1 1 19 19 LYS HG3 H 1 1.618 0.023 . 2 . 182 . . 17 LYS HG3 . 26603 1 216 . 1 1 19 19 LYS HD2 H 1 1.728 0 . 2 . 184 . . 17 LYS HD2 . 26603 1 217 . 1 1 19 19 LYS HD3 H 1 1.796 0.015 . 2 . 185 . . 17 LYS HD3 . 26603 1 218 . 1 1 19 19 LYS HE2 H 1 2.801 0.017 . 2 . 187 . . 17 LYS HE2 . 26603 1 219 . 1 1 19 19 LYS HE3 H 1 2.805 0.009 . 2 . 188 . . 17 LYS HE3 . 26603 1 220 . 1 1 19 19 LYS C C 13 175.784 0 . 1 . 189 . . 17 LYS C . 26603 1 221 . 1 1 19 19 LYS CA C 13 54.704 0.042 . 1 . 175 . . 17 LYS CA . 26603 1 222 . 1 1 19 19 LYS CB C 13 35.687 0.107 . 1 . 177 . . 17 LYS CB . 26603 1 223 . 1 1 19 19 LYS CG C 13 25.92 0.001 . 1 . 180 . . 17 LYS CG . 26603 1 224 . 1 1 19 19 LYS CD C 13 29.419 0 . 1 . 183 . . 17 LYS CD . 26603 1 225 . 1 1 19 19 LYS CE C 13 42.209 0.005 . 1 . 186 . . 17 LYS CE . 26603 1 226 . 1 1 20 20 SER H H 1 8.369 0.008 . 1 . 191 . . 18 SER H . 26603 1 227 . 1 1 20 20 SER HA H 1 4.385 0.008 . 1 . 193 . . 18 SER HA . 26603 1 228 . 1 1 20 20 SER HB2 H 1 4.282 0.015 . 2 . 195 . . 18 SER HB2 . 26603 1 229 . 1 1 20 20 SER HB3 H 1 4.042 0.005 . 2 . 196 . . 18 SER HB3 . 26603 1 230 . 1 1 20 20 SER C C 13 174.142 0 . 1 . 197 . . 18 SER C . 26603 1 231 . 1 1 20 20 SER CA C 13 57.764 0.029 . 1 . 192 . . 18 SER CA . 26603 1 232 . 1 1 20 20 SER CB C 13 64.351 0.071 . 1 . 194 . . 18 SER CB . 26603 1 233 . 1 1 20 20 SER N N 15 119.206 0.073 . 1 . 190 . . 18 SER N . 26603 1 234 . 1 1 21 21 LEU H H 1 8.694 0.005 . 1 . 199 . . 19 LEU H . 26603 1 235 . 1 1 21 21 LEU HA H 1 4.044 0.013 . 1 . 201 . . 19 LEU HA . 26603 1 236 . 1 1 21 21 LEU HB2 H 1 1.688 0.035 . 2 . 203 . . 19 LEU HB2 . 26603 1 237 . 1 1 21 21 LEU HB3 H 1 1.673 0.042 . 2 . 204 . . 19 LEU HB3 . 26603 1 238 . 1 1 21 21 LEU HG H 1 0.924 0.034 . 1 . 206 . . 19 LEU HG . 26603 1 239 . 1 1 21 21 LEU HD11 H 1 1.018 0.016 . 2 . 208 . . 19 LEU HD11 . 26603 1 240 . 1 1 21 21 LEU HD12 H 1 1.018 0.016 . 2 . 208 . . 19 LEU HD12 . 26603 1 241 . 1 1 21 21 LEU HD13 H 1 1.018 0.016 . 2 . 208 . . 19 LEU HD13 . 26603 1 242 . 1 1 21 21 LEU HD21 H 1 0.898 0.031 . 2 . 210 . . 19 LEU HD21 . 26603 1 243 . 1 1 21 21 LEU HD22 H 1 0.898 0.031 . 2 . 210 . . 19 LEU HD22 . 26603 1 244 . 1 1 21 21 LEU HD23 H 1 0.898 0.031 . 2 . 210 . . 19 LEU HD23 . 26603 1 245 . 1 1 21 21 LEU C C 13 177.817 0 . 1 . 211 . . 19 LEU C . 26603 1 246 . 1 1 21 21 LEU CA C 13 58.743 0.032 . 1 . 200 . . 19 LEU CA . 26603 1 247 . 1 1 21 21 LEU CB C 13 41.563 0.099 . 1 . 202 . . 19 LEU CB . 26603 1 248 . 1 1 21 21 LEU CG C 13 27.943 0.051 . 1 . 205 . . 19 LEU CG . 26603 1 249 . 1 1 21 21 LEU CD1 C 13 23.874 0.034 . 2 . 207 . . 19 LEU CD1 . 26603 1 250 . 1 1 21 21 LEU CD2 C 13 23.505 0.022 . 2 . 209 . . 19 LEU CD2 . 26603 1 251 . 1 1 21 21 LEU N N 15 123.949 0.052 . 1 . 198 . . 19 LEU N . 26603 1 252 . 1 1 22 22 ALA H H 1 8.381 0.012 . 1 . 213 . . 20 ALA H . 26603 1 253 . 1 1 22 22 ALA HA H 1 4.321 0.028 . 1 . 215 . . 20 ALA HA . 26603 1 254 . 1 1 22 22 ALA HB1 H 1 1.45 0.02 . 1 . 217 . . 20 ALA HB1 . 26603 1 255 . 1 1 22 22 ALA HB2 H 1 1.45 0.02 . 1 . 217 . . 20 ALA HB2 . 26603 1 256 . 1 1 22 22 ALA HB3 H 1 1.45 0.02 . 1 . 217 . . 20 ALA HB3 . 26603 1 257 . 1 1 22 22 ALA C C 13 180.783 0 . 1 . 218 . . 20 ALA C . 26603 1 258 . 1 1 22 22 ALA CA C 13 54.967 0.131 . 1 . 214 . . 20 ALA CA . 26603 1 259 . 1 1 22 22 ALA CB C 13 18.35 0.039 . 1 . 216 . . 20 ALA CB . 26603 1 260 . 1 1 22 22 ALA N N 15 119.138 0.057 . 1 . 212 . . 20 ALA N . 26603 1 261 . 1 1 23 23 ILE H H 1 7.561 0.015 . 1 . 220 . . 21 ILE H . 26603 1 262 . 1 1 23 23 ILE HA H 1 3.925 0.012 . 1 . 222 . . 21 ILE HA . 26603 1 263 . 1 1 23 23 ILE HB H 1 2.077 0.017 . 1 . 224 . . 21 ILE HB . 26603 1 264 . 1 1 23 23 ILE HG12 H 1 1.586 0.01 . 2 . 226 . . 21 ILE HG12 . 26603 1 265 . 1 1 23 23 ILE HG13 H 1 1.307 0.017 . 2 . 227 . . 21 ILE HG13 . 26603 1 266 . 1 1 23 23 ILE HG21 H 1 0.979 0.029 . 1 . 231 . . 21 ILE HG21 . 26603 1 267 . 1 1 23 23 ILE HG22 H 1 0.979 0.029 . 1 . 231 . . 21 ILE HG22 . 26603 1 268 . 1 1 23 23 ILE HG23 H 1 0.979 0.029 . 1 . 231 . . 21 ILE HG23 . 26603 1 269 . 1 1 23 23 ILE HD11 H 1 0.934 0.02 . 1 . 229 . . 21 ILE HD11 . 26603 1 270 . 1 1 23 23 ILE HD12 H 1 0.934 0.02 . 1 . 229 . . 21 ILE HD12 . 26603 1 271 . 1 1 23 23 ILE HD13 H 1 0.934 0.02 . 1 . 229 . . 21 ILE HD13 . 26603 1 272 . 1 1 23 23 ILE C C 13 179.21 0 . 1 . 232 . . 21 ILE C . 26603 1 273 . 1 1 23 23 ILE CA C 13 63.647 0.064 . 1 . 221 . . 21 ILE CA . 26603 1 274 . 1 1 23 23 ILE CB C 13 36.975 0.03 . 1 . 223 . . 21 ILE CB . 26603 1 275 . 1 1 23 23 ILE CG1 C 13 29.039 0.058 . 1 . 225 . . 21 ILE CG1 . 26603 1 276 . 1 1 23 23 ILE CG2 C 13 17.775 0.072 . 1 . 230 . . 21 ILE CG2 . 26603 1 277 . 1 1 23 23 ILE CD1 C 13 12.023 0.066 . 1 . 228 . . 21 ILE CD1 . 26603 1 278 . 1 1 23 23 ILE N N 15 119.475 0.055 . 1 . 219 . . 21 ILE N . 26603 1 279 . 1 1 24 24 ARG H H 1 8.415 0.012 . 1 . 234 . . 22 ARG H . 26603 1 280 . 1 1 24 24 ARG HA H 1 4.306 0.026 . 1 . 236 . . 22 ARG HA . 26603 1 281 . 1 1 24 24 ARG HB2 H 1 1.938 0.001 . 2 . 238 . . 22 ARG HB2 . 26603 1 282 . 1 1 24 24 ARG HB3 H 1 1.874 0.039 . 2 . 239 . . 22 ARG HB3 . 26603 1 283 . 1 1 24 24 ARG HG2 H 1 1.648 0.032 . 2 . 241 . . 22 ARG HG2 . 26603 1 284 . 1 1 24 24 ARG HG3 H 1 1.61 0 . 2 . 242 . . 22 ARG HG3 . 26603 1 285 . 1 1 24 24 ARG HD2 H 1 3.1 0.001 . 2 . 244 . . 22 ARG HD2 . 26603 1 286 . 1 1 24 24 ARG HD3 H 1 3.198 0.025 . 2 . 245 . . 22 ARG HD3 . 26603 1 287 . 1 1 24 24 ARG HE H 1 7.164 0 . 1 . 1375 . . 22 ARG HE . 26603 1 288 . 1 1 24 24 ARG C C 13 177.879 0 . 1 . 246 . . 22 ARG C . 26603 1 289 . 1 1 24 24 ARG CA C 13 61.316 0 . 1 . 235 . . 22 ARG CA . 26603 1 290 . 1 1 24 24 ARG CB C 13 31.357 0.144 . 1 . 237 . . 22 ARG CB . 26603 1 291 . 1 1 24 24 ARG CG C 13 27.222 0.086 . 1 . 240 . . 22 ARG CG . 26603 1 292 . 1 1 24 24 ARG CD C 13 43.27 0.048 . 1 . 243 . . 22 ARG CD . 26603 1 293 . 1 1 24 24 ARG N N 15 122.766 0.135 . 1 . 233 . . 22 ARG N . 26603 1 294 . 1 1 24 24 ARG NE N 15 84.536 0.009 . 1 . 1404 . . 22 ARG NE . 26603 1 295 . 1 1 25 25 GLN H H 1 8.949 0.004 . 1 . 248 . . 23 GLN H . 26603 1 296 . 1 1 25 25 GLN HA H 1 4.357 0.015 . 1 . 250 . . 23 GLN HA . 26603 1 297 . 1 1 25 25 GLN HB2 H 1 1.994 0.034 . 2 . 252 . . 23 GLN HB2 . 26603 1 298 . 1 1 25 25 GLN HB3 H 1 1.969 0.013 . 2 . 253 . . 23 GLN HB3 . 26603 1 299 . 1 1 25 25 GLN HG2 H 1 2.498 0.008 . 2 . 255 . . 23 GLN HG2 . 26603 1 300 . 1 1 25 25 GLN HG3 H 1 2.52 0.009 . 2 . 256 . . 23 GLN HG3 . 26603 1 301 . 1 1 25 25 GLN HE21 H 1 7.135 0.01 . 1 . 1704 . . 23 GLN HE21 . 26603 1 302 . 1 1 25 25 GLN HE22 H 1 7.001 0.004 . 1 . 1706 . . 23 GLN HE22 . 26603 1 303 . 1 1 25 25 GLN C C 13 179.876 0 . 1 . 257 . . 23 GLN C . 26603 1 304 . 1 1 25 25 GLN CA C 13 58.875 0.048 . 1 . 249 . . 23 GLN CA . 26603 1 305 . 1 1 25 25 GLN CB C 13 28.375 0.113 . 1 . 251 . . 23 GLN CB . 26603 1 306 . 1 1 25 25 GLN CG C 13 35.371 0.077 . 1 . 254 . . 23 GLN CG . 26603 1 307 . 1 1 25 25 GLN N N 15 116.797 0.043 . 1 . 247 . . 23 GLN N . 26603 1 308 . 1 1 25 25 GLN NE2 N 15 110.85 0.035 . 1 . 1705 . . 23 GLN NE2 . 26603 1 309 . 1 1 26 26 GLU H H 1 8.118 0.015 . 1 . 259 . . 24 GLU H . 26603 1 310 . 1 1 26 26 GLU HA H 1 4.157 0.017 . 1 . 261 . . 24 GLU HA . 26603 1 311 . 1 1 26 26 GLU HB2 H 1 2.225 0.033 . 2 . 263 . . 24 GLU HB2 . 26603 1 312 . 1 1 26 26 GLU HB3 H 1 2.233 0.027 . 2 . 264 . . 24 GLU HB3 . 26603 1 313 . 1 1 26 26 GLU HG2 H 1 2.436 0.011 . 2 . 266 . . 24 GLU HG2 . 26603 1 314 . 1 1 26 26 GLU HG3 H 1 2.297 0.005 . 2 . 267 . . 24 GLU HG3 . 26603 1 315 . 1 1 26 26 GLU C C 13 179.191 0 . 1 . 268 . . 24 GLU C . 26603 1 316 . 1 1 26 26 GLU CA C 13 58.923 0.061 . 1 . 260 . . 24 GLU CA . 26603 1 317 . 1 1 26 26 GLU CB C 13 29.581 0.065 . 1 . 262 . . 24 GLU CB . 26603 1 318 . 1 1 26 26 GLU CG C 13 36.268 0.054 . 1 . 265 . . 24 GLU CG . 26603 1 319 . 1 1 26 26 GLU N N 15 121.505 0.055 . 1 . 258 . . 24 GLU N . 26603 1 320 . 1 1 27 27 GLU H H 1 8.395 0.009 . 1 . 270 . . 25 GLU H . 26603 1 321 . 1 1 27 27 GLU HA H 1 4.135 0.016 . 1 . 272 . . 25 GLU HA . 26603 1 322 . 1 1 27 27 GLU HB2 H 1 2.441 0.019 . 2 . 274 . . 25 GLU HB2 . 26603 1 323 . 1 1 27 27 GLU HB3 H 1 2.413 0.02 . 2 . 275 . . 25 GLU HB3 . 26603 1 324 . 1 1 27 27 GLU HG2 H 1 2.605 0.016 . 2 . 277 . . 25 GLU HG2 . 26603 1 325 . 1 1 27 27 GLU HG3 H 1 2.604 0.015 . 2 . 278 . . 25 GLU HG3 . 26603 1 326 . 1 1 27 27 GLU C C 13 180.231 0 . 1 . 279 . . 25 GLU C . 26603 1 327 . 1 1 27 27 GLU CA C 13 59.716 0.008 . 1 . 271 . . 25 GLU CA . 26603 1 328 . 1 1 27 27 GLU CB C 13 29.564 0.127 . 1 . 273 . . 25 GLU CB . 26603 1 329 . 1 1 27 27 GLU CG C 13 36.51 0.076 . 1 . 276 . . 25 GLU CG . 26603 1 330 . 1 1 27 27 GLU N N 15 122.949 0.082 . 1 . 269 . . 25 GLU N . 26603 1 331 . 1 1 28 28 VAL H H 1 8.261 0.009 . 1 . 281 . . 26 VAL H . 26603 1 332 . 1 1 28 28 VAL HA H 1 3.316 0.011 . 1 . 283 . . 26 VAL HA . 26603 1 333 . 1 1 28 28 VAL HB H 1 1.954 0.016 . 1 . 285 . . 26 VAL HB . 26603 1 334 . 1 1 28 28 VAL HG11 H 1 0.182 0.013 . 2 . 1450 . . 26 VAL HG11 . 26603 1 335 . 1 1 28 28 VAL HG12 H 1 0.182 0.013 . 2 . 1450 . . 26 VAL HG12 . 26603 1 336 . 1 1 28 28 VAL HG13 H 1 0.182 0.013 . 2 . 1450 . . 26 VAL HG13 . 26603 1 337 . 1 1 28 28 VAL HG21 H 1 0.83 0.016 . 2 . 1452 . . 26 VAL HG21 . 26603 1 338 . 1 1 28 28 VAL HG22 H 1 0.83 0.016 . 2 . 1452 . . 26 VAL HG22 . 26603 1 339 . 1 1 28 28 VAL HG23 H 1 0.83 0.016 . 2 . 1452 . . 26 VAL HG23 . 26603 1 340 . 1 1 28 28 VAL C C 13 177.386 0 . 1 . 286 . . 26 VAL C . 26603 1 341 . 1 1 28 28 VAL CA C 13 66.816 0 . 1 . 282 . . 26 VAL CA . 26603 1 342 . 1 1 28 28 VAL CB C 13 31.214 0.027 . 1 . 284 . . 26 VAL CB . 26603 1 343 . 1 1 28 28 VAL CG1 C 13 22.904 0.049 . 2 . 1449 . . 26 VAL CG1 . 26603 1 344 . 1 1 28 28 VAL CG2 C 13 21.548 0.046 . 2 . 1451 . . 26 VAL CG2 . 26603 1 345 . 1 1 28 28 VAL N N 15 121.127 0.09 . 1 . 280 . . 26 VAL N . 26603 1 346 . 1 1 29 29 ALA H H 1 8.239 0.009 . 1 . 288 . . 27 ALA H . 26603 1 347 . 1 1 29 29 ALA HA H 1 4.11 0.022 . 1 . 290 . . 27 ALA HA . 26603 1 348 . 1 1 29 29 ALA HB1 H 1 1.502 0.018 . 1 . 292 . . 27 ALA HB1 . 26603 1 349 . 1 1 29 29 ALA HB2 H 1 1.502 0.018 . 1 . 292 . . 27 ALA HB2 . 26603 1 350 . 1 1 29 29 ALA HB3 H 1 1.502 0.018 . 1 . 292 . . 27 ALA HB3 . 26603 1 351 . 1 1 29 29 ALA C C 13 181.478 0 . 1 . 293 . . 27 ALA C . 26603 1 352 . 1 1 29 29 ALA CA C 13 55.152 0.017 . 1 . 289 . . 27 ALA CA . 26603 1 353 . 1 1 29 29 ALA CB C 13 17.585 0.035 . 1 . 291 . . 27 ALA CB . 26603 1 354 . 1 1 29 29 ALA N N 15 122.854 0.035 . 1 . 287 . . 27 ALA N . 26603 1 355 . 1 1 30 30 GLY H H 1 8.007 0.016 . 1 . 295 . . 28 GLY H . 26603 1 356 . 1 1 30 30 GLY HA2 H 1 3.967 0.016 . 2 . 297 . . 28 GLY HA2 . 26603 1 357 . 1 1 30 30 GLY HA3 H 1 3.954 0.008 . 2 . 298 . . 28 GLY HA3 . 26603 1 358 . 1 1 30 30 GLY C C 13 176.481 0 . 1 . 299 . . 28 GLY C . 26603 1 359 . 1 1 30 30 GLY CA C 13 46.803 0.079 . 1 . 296 . . 28 GLY CA . 26603 1 360 . 1 1 30 30 GLY N N 15 105.771 0.079 . 1 . 294 . . 28 GLY N . 26603 1 361 . 1 1 31 31 ILE H H 1 7.967 0.01 . 1 . 301 . . 29 ILE H . 26603 1 362 . 1 1 31 31 ILE HA H 1 3.903 0.019 . 1 . 303 . . 29 ILE HA . 26603 1 363 . 1 1 31 31 ILE HB H 1 1.956 0.019 . 1 . 305 . . 29 ILE HB . 26603 1 364 . 1 1 31 31 ILE HG12 H 1 1.253 0.05 . 2 . 307 . . 29 ILE HG12 . 26603 1 365 . 1 1 31 31 ILE HG13 H 1 1.215 0.016 . 2 . 308 . . 29 ILE HG13 . 26603 1 366 . 1 1 31 31 ILE HG21 H 1 0.983 0.02 . 1 . 312 . . 29 ILE HG21 . 26603 1 367 . 1 1 31 31 ILE HG22 H 1 0.983 0.02 . 1 . 312 . . 29 ILE HG22 . 26603 1 368 . 1 1 31 31 ILE HG23 H 1 0.983 0.02 . 1 . 312 . . 29 ILE HG23 . 26603 1 369 . 1 1 31 31 ILE HD11 H 1 0.938 0.03 . 1 . 310 . . 29 ILE HD11 . 26603 1 370 . 1 1 31 31 ILE HD12 H 1 0.938 0.03 . 1 . 310 . . 29 ILE HD12 . 26603 1 371 . 1 1 31 31 ILE HD13 H 1 0.938 0.03 . 1 . 310 . . 29 ILE HD13 . 26603 1 372 . 1 1 31 31 ILE C C 13 177.774 0 . 1 . 313 . . 29 ILE C . 26603 1 373 . 1 1 31 31 ILE CA C 13 65.198 0.051 . 1 . 302 . . 29 ILE CA . 26603 1 374 . 1 1 31 31 ILE CB C 13 38.77 0.062 . 1 . 304 . . 29 ILE CB . 26603 1 375 . 1 1 31 31 ILE CG1 C 13 27.516 0 . 1 . 306 . . 29 ILE CG1 . 26603 1 376 . 1 1 31 31 ILE CG2 C 13 18.139 0.037 . 1 . 311 . . 29 ILE CG2 . 26603 1 377 . 1 1 31 31 ILE CD1 C 13 14.178 0.034 . 1 . 309 . . 29 ILE CD1 . 26603 1 378 . 1 1 31 31 ILE N N 15 124.216 0.054 . 1 . 300 . . 29 ILE N . 26603 1 379 . 1 1 32 32 ARG H H 1 8.709 0.005 . 1 . 315 . . 30 ARG H . 26603 1 380 . 1 1 32 32 ARG HA H 1 4.009 0.03 . 1 . 317 . . 30 ARG HA . 26603 1 381 . 1 1 32 32 ARG HB2 H 1 1.861 0.018 . 2 . 319 . . 30 ARG HB2 . 26603 1 382 . 1 1 32 32 ARG HB3 H 1 1.857 0.01 . 2 . 320 . . 30 ARG HB3 . 26603 1 383 . 1 1 32 32 ARG HG2 H 1 1.844 0.01 . 2 . 322 . . 30 ARG HG2 . 26603 1 384 . 1 1 32 32 ARG HG3 H 1 1.839 0 . 2 . 323 . . 30 ARG HG3 . 26603 1 385 . 1 1 32 32 ARG HD2 H 1 3.3 0.028 . 2 . 325 . . 30 ARG HD2 . 26603 1 386 . 1 1 32 32 ARG HD3 H 1 3.131 0.011 . 2 . 326 . . 30 ARG HD3 . 26603 1 387 . 1 1 32 32 ARG HE H 1 7.265 0.022 . 1 . 1371 . . 30 ARG HE . 26603 1 388 . 1 1 32 32 ARG C C 13 178.079 0 . 1 . 328 . . 30 ARG C . 26603 1 389 . 1 1 32 32 ARG CA C 13 57.614 0.067 . 1 . 316 . . 30 ARG CA . 26603 1 390 . 1 1 32 32 ARG CB C 13 29.085 0.062 . 1 . 318 . . 30 ARG CB . 26603 1 391 . 1 1 32 32 ARG CG C 13 27.321 0.034 . 1 . 321 . . 30 ARG CG . 26603 1 392 . 1 1 32 32 ARG CD C 13 42.253 0.029 . 1 . 324 . . 30 ARG CD . 26603 1 393 . 1 1 32 32 ARG N N 15 118.979 0.031 . 1 . 314 . . 30 ARG N . 26603 1 394 . 1 1 32 32 ARG NE N 15 83.897 0.067 . 1 . 327 . . 30 ARG NE . 26603 1 395 . 1 1 33 33 ALA H H 1 7.445 0.015 . 1 . 330 . . 31 ALA H . 26603 1 396 . 1 1 33 33 ALA HA H 1 4.137 0.015 . 1 . 332 . . 31 ALA HA . 26603 1 397 . 1 1 33 33 ALA HB1 H 1 1.471 0.016 . 1 . 334 . . 31 ALA HB1 . 26603 1 398 . 1 1 33 33 ALA HB2 H 1 1.471 0.016 . 1 . 334 . . 31 ALA HB2 . 26603 1 399 . 1 1 33 33 ALA HB3 H 1 1.471 0.016 . 1 . 334 . . 31 ALA HB3 . 26603 1 400 . 1 1 33 33 ALA C C 13 179.125 0 . 1 . 335 . . 31 ALA C . 26603 1 401 . 1 1 33 33 ALA CA C 13 53.868 0.002 . 1 . 331 . . 31 ALA CA . 26603 1 402 . 1 1 33 33 ALA CB C 13 18.637 0.056 . 1 . 333 . . 31 ALA CB . 26603 1 403 . 1 1 33 33 ALA N N 15 118.556 0.107 . 1 . 329 . . 31 ALA N . 26603 1 404 . 1 1 34 34 LYS H H 1 7.365 0.021 . 1 . 337 . . 32 LYS H . 26603 1 405 . 1 1 34 34 LYS HA H 1 3.921 0.019 . 1 . 339 . . 32 LYS HA . 26603 1 406 . 1 1 34 34 LYS HB2 H 1 1.473 0.011 . 2 . 341 . . 32 LYS HB2 . 26603 1 407 . 1 1 34 34 LYS HB3 H 1 1.121 0.006 . 2 . 342 . . 32 LYS HB3 . 26603 1 408 . 1 1 34 34 LYS HG2 H 1 1.119 0.006 . 2 . 344 . . 32 LYS HG2 . 26603 1 409 . 1 1 34 34 LYS HG3 H 1 0.78 0.004 . 2 . 345 . . 32 LYS HG3 . 26603 1 410 . 1 1 34 34 LYS HD2 H 1 1.487 0.004 . 2 . 347 . . 32 LYS HD2 . 26603 1 411 . 1 1 34 34 LYS HD3 H 1 1.486 0.003 . 2 . 348 . . 32 LYS HD3 . 26603 1 412 . 1 1 34 34 LYS HE2 H 1 2.841 0.008 . 2 . 350 . . 32 LYS HE2 . 26603 1 413 . 1 1 34 34 LYS HE3 H 1 2.852 0.005 . 2 . 351 . . 32 LYS HE3 . 26603 1 414 . 1 1 34 34 LYS C C 13 176.353 0 . 1 . 352 . . 32 LYS C . 26603 1 415 . 1 1 34 34 LYS CA C 13 57.734 0.02 . 1 . 338 . . 32 LYS CA . 26603 1 416 . 1 1 34 34 LYS CB C 13 34.044 0.053 . 1 . 340 . . 32 LYS CB . 26603 1 417 . 1 1 34 34 LYS CG C 13 24.993 0.081 . 1 . 343 . . 32 LYS CG . 26603 1 418 . 1 1 34 34 LYS CD C 13 28.945 0.017 . 1 . 346 . . 32 LYS CD . 26603 1 419 . 1 1 34 34 LYS CE C 13 41.792 0.042 . 1 . 349 . . 32 LYS CE . 26603 1 420 . 1 1 34 34 LYS N N 15 116.954 0.095 . 1 . 336 . . 32 LYS N . 26603 1 421 . 1 1 35 35 PHE H H 1 8.51 0.008 . 1 . 354 . . 33 PHE H . 26603 1 422 . 1 1 35 35 PHE HA H 1 5.218 0.021 . 1 . 356 . . 33 PHE HA . 26603 1 423 . 1 1 35 35 PHE HB2 H 1 3.008 0.023 . 2 . 358 . . 33 PHE HB2 . 26603 1 424 . 1 1 35 35 PHE HB3 H 1 2.848 0.014 . 2 . 359 . . 33 PHE HB3 . 26603 1 425 . 1 1 35 35 PHE HD1 H 1 7.352 0.013 . 1 . 360 . . 33 PHE HD1 . 26603 1 426 . 1 1 35 35 PHE HD2 H 1 7.352 0.013 . 1 . 360 . . 33 PHE HD2 . 26603 1 427 . 1 1 35 35 PHE HE1 H 1 7.34 0.013 . 1 . 361 . . 33 PHE HE1 . 26603 1 428 . 1 1 35 35 PHE HE2 H 1 7.34 0.013 . 1 . 361 . . 33 PHE HE2 . 26603 1 429 . 1 1 35 35 PHE CA C 13 54.347 0.07 . 1 . 355 . . 33 PHE CA . 26603 1 430 . 1 1 35 35 PHE CB C 13 39.057 0.019 . 1 . 357 . . 33 PHE CB . 26603 1 431 . 1 1 35 35 PHE CD1 C 13 132.336 0.423 . 1 . 363 . . 33 PHE CD1 . 26603 1 432 . 1 1 35 35 PHE CD2 C 13 132.336 0.423 . 1 . 363 . . 33 PHE CD2 . 26603 1 433 . 1 1 35 35 PHE CE1 C 13 131.198 0.167 . 1 . 362 . . 33 PHE CE1 . 26603 1 434 . 1 1 35 35 PHE CE2 C 13 131.198 0.167 . 1 . 362 . . 33 PHE CE2 . 26603 1 435 . 1 1 35 35 PHE N N 15 116.864 0.062 . 1 . 353 . . 33 PHE N . 26603 1 436 . 1 1 36 36 PRO HA H 1 4.514 0.02 . 1 . 365 . . 34 PRO HA . 26603 1 437 . 1 1 36 36 PRO HB2 H 1 2.393 0.029 . 2 . 367 . . 34 PRO HB2 . 26603 1 438 . 1 1 36 36 PRO HB3 H 1 1.928 0.019 . 2 . 368 . . 34 PRO HB3 . 26603 1 439 . 1 1 36 36 PRO HG2 H 1 1.886 0.016 . 2 . 370 . . 34 PRO HG2 . 26603 1 440 . 1 1 36 36 PRO HG3 H 1 1.904 0.012 . 2 . 371 . . 34 PRO HG3 . 26603 1 441 . 1 1 36 36 PRO HD2 H 1 3.525 0.003 . 2 . 373 . . 34 PRO HD2 . 26603 1 442 . 1 1 36 36 PRO HD3 H 1 3.523 0 . 2 . 374 . . 34 PRO HD3 . 26603 1 443 . 1 1 36 36 PRO C C 13 177.213 0 . 1 . 375 . . 34 PRO C . 26603 1 444 . 1 1 36 36 PRO CA C 13 64.657 0.003 . 1 . 364 . . 34 PRO CA . 26603 1 445 . 1 1 36 36 PRO CB C 13 32.017 0.046 . 1 . 366 . . 34 PRO CB . 26603 1 446 . 1 1 36 36 PRO CG C 13 27.295 0.106 . 1 . 369 . . 34 PRO CG . 26603 1 447 . 1 1 36 36 PRO CD C 13 50.212 0.003 . 1 . 372 . . 34 PRO CD . 26603 1 448 . 1 1 37 37 ASN H H 1 8.442 0.004 . 1 . 377 . . 35 ASN H . 26603 1 449 . 1 1 37 37 ASN HA H 1 4.801 0.017 . 1 . 379 . . 35 ASN HA . 26603 1 450 . 1 1 37 37 ASN HB2 H 1 3 0.011 . 2 . 381 . . 35 ASN HB2 . 26603 1 451 . 1 1 37 37 ASN HB3 H 1 3.001 0.013 . 2 . 382 . . 35 ASN HB3 . 26603 1 452 . 1 1 37 37 ASN HD21 H 1 7.087 0.001 . 1 . 1360 . . 35 ASN HD21 . 26603 1 453 . 1 1 37 37 ASN HD22 H 1 7.641 0.001 . 1 . 1362 . . 35 ASN HD22 . 26603 1 454 . 1 1 37 37 ASN C C 13 174.802 0 . 1 . 384 . . 35 ASN C . 26603 1 455 . 1 1 37 37 ASN CA C 13 52.734 0.068 . 1 . 378 . . 35 ASN CA . 26603 1 456 . 1 1 37 37 ASN CB C 13 38.478 0.059 . 1 . 380 . . 35 ASN CB . 26603 1 457 . 1 1 37 37 ASN CG C 13 177.74 0 . 1 . 383 . . 35 ASN CG . 26603 1 458 . 1 1 37 37 ASN N N 15 114.231 0 . 1 . 376 . . 35 ASN N . 26603 1 459 . 1 1 37 37 ASN ND2 N 15 113.64 0.036 . 1 . 1361 . . 35 ASN ND2 . 26603 1 460 . 1 1 38 38 LYS H H 1 7.559 0.007 . 1 . 386 . . 36 LYS H . 26603 1 461 . 1 1 38 38 LYS HA H 1 4.762 0.011 . 1 . 388 . . 36 LYS HA . 26603 1 462 . 1 1 38 38 LYS HB2 H 1 1.614 0.024 . 2 . 390 . . 36 LYS HB2 . 26603 1 463 . 1 1 38 38 LYS HB3 H 1 1.635 0.034 . 2 . 391 . . 36 LYS HB3 . 26603 1 464 . 1 1 38 38 LYS HG2 H 1 1.365 0.03 . 2 . 393 . . 36 LYS HG2 . 26603 1 465 . 1 1 38 38 LYS HG3 H 1 1.081 0.024 . 2 . 394 . . 36 LYS HG3 . 26603 1 466 . 1 1 38 38 LYS HD2 H 1 1.232 0.024 . 2 . 1413 . . 36 LYS HD2 . 26603 1 467 . 1 1 38 38 LYS HD3 H 1 1.041 0.032 . 2 . 1414 . . 36 LYS HD3 . 26603 1 468 . 1 1 38 38 LYS HE2 H 1 2.823 0.012 . 2 . 397 . . 36 LYS HE2 . 26603 1 469 . 1 1 38 38 LYS HE3 H 1 2.817 0.004 . 2 . 398 . . 36 LYS HE3 . 26603 1 470 . 1 1 38 38 LYS C C 13 174.334 0 . 1 . 399 . . 36 LYS C . 26603 1 471 . 1 1 38 38 LYS CA C 13 54.234 0 . 1 . 387 . . 36 LYS CA . 26603 1 472 . 1 1 38 38 LYS CB C 13 35.578 0.099 . 1 . 389 . . 36 LYS CB . 26603 1 473 . 1 1 38 38 LYS CG C 13 26.03 0.045 . 1 . 392 . . 36 LYS CG . 26603 1 474 . 1 1 38 38 LYS CD C 13 29.099 0.117 . 1 . 395 . . 36 LYS CD . 26603 1 475 . 1 1 38 38 LYS CE C 13 42.173 0.053 . 1 . 396 . . 36 LYS CE . 26603 1 476 . 1 1 38 38 LYS N N 15 117.946 0.055 . 1 . 385 . . 36 LYS N . 26603 1 477 . 1 1 39 39 ILE H H 1 9.306 0.006 . 1 . 401 . . 37 ILE H . 26603 1 478 . 1 1 39 39 ILE HA H 1 4.138 0.032 . 1 . 403 . . 37 ILE HA . 26603 1 479 . 1 1 39 39 ILE HB H 1 1.659 0.026 . 1 . 405 . . 37 ILE HB . 26603 1 480 . 1 1 39 39 ILE HG12 H 1 1.102 0.036 . 2 . 407 . . 37 ILE HG12 . 26603 1 481 . 1 1 39 39 ILE HG13 H 1 0.898 0.02 . 2 . 1354 . . 37 ILE HG13 . 26603 1 482 . 1 1 39 39 ILE HG21 H 1 0.489 0.015 . 1 . 410 . . 37 ILE HG21 . 26603 1 483 . 1 1 39 39 ILE HG22 H 1 0.489 0.015 . 1 . 410 . . 37 ILE HG22 . 26603 1 484 . 1 1 39 39 ILE HG23 H 1 0.489 0.015 . 1 . 410 . . 37 ILE HG23 . 26603 1 485 . 1 1 39 39 ILE HD11 H 1 0.287 0.016 . 1 . 1405 . . 37 ILE HD11 . 26603 1 486 . 1 1 39 39 ILE HD12 H 1 0.287 0.016 . 1 . 1405 . . 37 ILE HD12 . 26603 1 487 . 1 1 39 39 ILE HD13 H 1 0.287 0.016 . 1 . 1405 . . 37 ILE HD13 . 26603 1 488 . 1 1 39 39 ILE CA C 13 54.535 0.103 . 1 . 402 . . 37 ILE CA . 26603 1 489 . 1 1 39 39 ILE CB C 13 38.277 0.165 . 1 . 404 . . 37 ILE CB . 26603 1 490 . 1 1 39 39 ILE CG1 C 13 27.167 0.043 . 1 . 406 . . 37 ILE CG1 . 26603 1 491 . 1 1 39 39 ILE CG2 C 13 16.608 0.023 . 1 . 409 . . 37 ILE CG2 . 26603 1 492 . 1 1 39 39 ILE CD1 C 13 9.767 0.038 . 1 . 408 . . 37 ILE CD1 . 26603 1 493 . 1 1 39 39 ILE N N 15 122.354 0.062 . 1 . 400 . . 37 ILE N . 26603 1 494 . 1 1 40 40 PRO HA H 1 5.126 0.021 . 1 . 412 . . 38 PRO HA . 26603 1 495 . 1 1 40 40 PRO HB2 H 1 1.715 0.027 . 2 . 414 . . 38 PRO HB2 . 26603 1 496 . 1 1 40 40 PRO HB3 H 1 2.223 0.018 . 2 . 415 . . 38 PRO HB3 . 26603 1 497 . 1 1 40 40 PRO HG2 H 1 1.92 0.013 . 2 . 417 . . 38 PRO HG2 . 26603 1 498 . 1 1 40 40 PRO HG3 H 1 1.918 0.023 . 2 . 418 . . 38 PRO HG3 . 26603 1 499 . 1 1 40 40 PRO HD2 H 1 3.563 0.032 . 2 . 420 . . 38 PRO HD2 . 26603 1 500 . 1 1 40 40 PRO HD3 H 1 3.568 0.038 . 2 . 421 . . 38 PRO HD3 . 26603 1 501 . 1 1 40 40 PRO C C 13 174.09 0 . 1 . 422 . . 38 PRO C . 26603 1 502 . 1 1 40 40 PRO CA C 13 61.423 0.055 . 1 . 411 . . 38 PRO CA . 26603 1 503 . 1 1 40 40 PRO CB C 13 31.083 0.03 . 1 . 413 . . 38 PRO CB . 26603 1 504 . 1 1 40 40 PRO CG C 13 27.301 0.024 . 1 . 416 . . 38 PRO CG . 26603 1 505 . 1 1 40 40 PRO CD C 13 50.222 0.076 . 1 . 419 . . 38 PRO CD . 26603 1 506 . 1 1 41 41 VAL H H 1 8.968 0.009 . 1 . 424 . . 39 VAL H . 26603 1 507 . 1 1 41 41 VAL HA H 1 5 0.016 . 1 . 426 . . 39 VAL HA . 26603 1 508 . 1 1 41 41 VAL HB H 1 1.919 0.014 . 1 . 428 . . 39 VAL HB . 26603 1 509 . 1 1 41 41 VAL HG11 H 1 0.928 0.013 . 2 . 432 . . 39 VAL HG11 . 26603 1 510 . 1 1 41 41 VAL HG12 H 1 0.928 0.013 . 2 . 432 . . 39 VAL HG12 . 26603 1 511 . 1 1 41 41 VAL HG13 H 1 0.928 0.013 . 2 . 432 . . 39 VAL HG13 . 26603 1 512 . 1 1 41 41 VAL HG21 H 1 0.601 0.01 . 2 . 430 . . 39 VAL HG21 . 26603 1 513 . 1 1 41 41 VAL HG22 H 1 0.601 0.01 . 2 . 430 . . 39 VAL HG22 . 26603 1 514 . 1 1 41 41 VAL HG23 H 1 0.601 0.01 . 2 . 430 . . 39 VAL HG23 . 26603 1 515 . 1 1 41 41 VAL C C 13 174.884 0 . 1 . 433 . . 39 VAL C . 26603 1 516 . 1 1 41 41 VAL CA C 13 60.089 0.013 . 1 . 425 . . 39 VAL CA . 26603 1 517 . 1 1 41 41 VAL CB C 13 35.772 0.127 . 1 . 427 . . 39 VAL CB . 26603 1 518 . 1 1 41 41 VAL CG1 C 13 22.348 0.054 . 2 . 431 . . 39 VAL CG1 . 26603 1 519 . 1 1 41 41 VAL CG2 C 13 21.738 0.037 . 2 . 429 . . 39 VAL CG2 . 26603 1 520 . 1 1 41 41 VAL N N 15 125.804 0.058 . 1 . 423 . . 39 VAL N . 26603 1 521 . 1 1 42 42 VAL H H 1 8.947 0.007 . 1 . 435 . . 40 VAL H . 26603 1 522 . 1 1 42 42 VAL HA H 1 4.672 0.025 . 1 . 437 . . 40 VAL HA . 26603 1 523 . 1 1 42 42 VAL HB H 1 1.292 0.015 . 1 . 439 . . 40 VAL HB . 26603 1 524 . 1 1 42 42 VAL HG11 H 1 0.604 0.017 . 2 . 443 . . 40 VAL HG11 . 26603 1 525 . 1 1 42 42 VAL HG12 H 1 0.604 0.017 . 2 . 443 . . 40 VAL HG12 . 26603 1 526 . 1 1 42 42 VAL HG13 H 1 0.604 0.017 . 2 . 443 . . 40 VAL HG13 . 26603 1 527 . 1 1 42 42 VAL HG21 H 1 -0.362 0.024 . 2 . 441 . . 40 VAL HG21 . 26603 1 528 . 1 1 42 42 VAL HG22 H 1 -0.362 0.024 . 2 . 441 . . 40 VAL HG22 . 26603 1 529 . 1 1 42 42 VAL HG23 H 1 -0.362 0.024 . 2 . 441 . . 40 VAL HG23 . 26603 1 530 . 1 1 42 42 VAL C C 13 175.85 0 . 1 . 444 . . 40 VAL C . 26603 1 531 . 1 1 42 42 VAL CA C 13 61.071 0.053 . 1 . 436 . . 40 VAL CA . 26603 1 532 . 1 1 42 42 VAL CB C 13 33.189 0.002 . 1 . 438 . . 40 VAL CB . 26603 1 533 . 1 1 42 42 VAL CG1 C 13 20.885 0.025 . 2 . 442 . . 40 VAL CG1 . 26603 1 534 . 1 1 42 42 VAL CG2 C 13 20.56 0.031 . 2 . 440 . . 40 VAL CG2 . 26603 1 535 . 1 1 42 42 VAL N N 15 128.916 0.048 . 1 . 434 . . 40 VAL N . 26603 1 536 . 1 1 43 43 VAL H H 1 9.187 0.006 . 1 . 446 . . 41 VAL H . 26603 1 537 . 1 1 43 43 VAL HA H 1 4.963 0.02 . 1 . 448 . . 41 VAL HA . 26603 1 538 . 1 1 43 43 VAL HB H 1 2.103 0.023 . 1 . 450 . . 41 VAL HB . 26603 1 539 . 1 1 43 43 VAL HG11 H 1 0.897 0.024 . 2 . 453 . . 41 VAL HG11 . 26603 1 540 . 1 1 43 43 VAL HG12 H 1 0.897 0.024 . 2 . 453 . . 41 VAL HG12 . 26603 1 541 . 1 1 43 43 VAL HG13 H 1 0.897 0.024 . 2 . 453 . . 41 VAL HG13 . 26603 1 542 . 1 1 43 43 VAL HG21 H 1 0.887 0.018 . 2 . 1500 . . 41 VAL HG21 . 26603 1 543 . 1 1 43 43 VAL HG22 H 1 0.887 0.018 . 2 . 1500 . . 41 VAL HG22 . 26603 1 544 . 1 1 43 43 VAL HG23 H 1 0.887 0.018 . 2 . 1500 . . 41 VAL HG23 . 26603 1 545 . 1 1 43 43 VAL C C 13 174.856 0 . 1 . 454 . . 41 VAL C . 26603 1 546 . 1 1 43 43 VAL CA C 13 60.858 0.004 . 1 . 447 . . 41 VAL CA . 26603 1 547 . 1 1 43 43 VAL CB C 13 33.448 0 . 1 . 449 . . 41 VAL CB . 26603 1 548 . 1 1 43 43 VAL CG1 C 13 22.369 0.028 . 2 . 452 . . 41 VAL CG1 . 26603 1 549 . 1 1 43 43 VAL CG2 C 13 21.346 0.083 . 2 . 451 . . 41 VAL CG2 . 26603 1 550 . 1 1 43 43 VAL N N 15 126.993 0.043 . 1 . 445 . . 41 VAL N . 26603 1 551 . 1 1 44 44 GLU H H 1 8.302 0.008 . 1 . 456 . . 42 GLU H . 26603 1 552 . 1 1 44 44 GLU HA H 1 4.842 0.016 . 1 . 458 . . 42 GLU HA . 26603 1 553 . 1 1 44 44 GLU HB2 H 1 2.228 0.012 . 2 . 460 . . 42 GLU HB2 . 26603 1 554 . 1 1 44 44 GLU HB3 H 1 1.942 0 . 2 . 461 . . 42 GLU HB3 . 26603 1 555 . 1 1 44 44 GLU HG2 H 1 2.301 0.006 . 2 . 463 . . 42 GLU HG2 . 26603 1 556 . 1 1 44 44 GLU HG3 H 1 2.305 0.003 . 2 . 464 . . 42 GLU HG3 . 26603 1 557 . 1 1 44 44 GLU C C 13 174.17 0 . 1 . 465 . . 42 GLU C . 26603 1 558 . 1 1 44 44 GLU CA C 13 53.861 0.121 . 1 . 457 . . 42 GLU CA . 26603 1 559 . 1 1 44 44 GLU CB C 13 35.4 0 . 1 . 459 . . 42 GLU CB . 26603 1 560 . 1 1 44 44 GLU CG C 13 38.343 0.005 . 1 . 462 . . 42 GLU CG . 26603 1 561 . 1 1 44 44 GLU N N 15 122.216 0.118 . 1 . 455 . . 42 GLU N . 26603 1 562 . 1 1 45 45 ARG H H 1 8.66 0.01 . 1 . 467 . . 43 ARG H . 26603 1 563 . 1 1 45 45 ARG HA H 1 4.207 0.016 . 1 . 469 . . 43 ARG HA . 26603 1 564 . 1 1 45 45 ARG HB2 H 1 1.813 0.027 . 2 . 471 . . 43 ARG HB2 . 26603 1 565 . 1 1 45 45 ARG HB3 H 1 1.754 0.036 . 2 . 472 . . 43 ARG HB3 . 26603 1 566 . 1 1 45 45 ARG HG2 H 1 1.571 0.005 . 2 . 474 . . 43 ARG HG2 . 26603 1 567 . 1 1 45 45 ARG HG3 H 1 1.579 0.01 . 2 . 475 . . 43 ARG HG3 . 26603 1 568 . 1 1 45 45 ARG HD2 H 1 3.072 0.007 . 2 . 477 . . 43 ARG HD2 . 26603 1 569 . 1 1 45 45 ARG HD3 H 1 2.821 0.012 . 2 . 478 . . 43 ARG HD3 . 26603 1 570 . 1 1 45 45 ARG HE H 1 7.043 0.013 . 1 . 1377 . . 43 ARG HE . 26603 1 571 . 1 1 45 45 ARG C C 13 176.128 0 . 1 . 480 . . 43 ARG C . 26603 1 572 . 1 1 45 45 ARG CA C 13 57.304 0.007 . 1 . 468 . . 43 ARG CA . 26603 1 573 . 1 1 45 45 ARG CB C 13 31.641 0.019 . 1 . 470 . . 43 ARG CB . 26603 1 574 . 1 1 45 45 ARG CG C 13 27.854 0 . 1 . 473 . . 43 ARG CG . 26603 1 575 . 1 1 45 45 ARG CD C 13 44.385 0.029 . 1 . 476 . . 43 ARG CD . 26603 1 576 . 1 1 45 45 ARG N N 15 122.953 0.13 . 1 . 466 . . 43 ARG N . 26603 1 577 . 1 1 45 45 ARG NE N 15 83.602 0.034 . 1 . 479 . . 43 ARG NE . 26603 1 578 . 1 1 46 46 TYR H H 1 8.761 0.013 . 1 . 482 . . 44 TYR H . 26603 1 579 . 1 1 46 46 TYR HA H 1 4.43 0.013 . 1 . 484 . . 44 TYR HA . 26603 1 580 . 1 1 46 46 TYR HB2 H 1 3.113 0.028 . 2 . 486 . . 44 TYR HB2 . 26603 1 581 . 1 1 46 46 TYR HB3 H 1 2.748 0.035 . 2 . 487 . . 44 TYR HB3 . 26603 1 582 . 1 1 46 46 TYR HD1 H 1 7.04 0.017 . 1 . 491 . . 44 TYR HD1 . 26603 1 583 . 1 1 46 46 TYR HD2 H 1 7.04 0.017 . 1 . 491 . . 44 TYR HD2 . 26603 1 584 . 1 1 46 46 TYR HE1 H 1 6.587 0.024 . 1 . 489 . . 44 TYR HE1 . 26603 1 585 . 1 1 46 46 TYR HE2 H 1 6.587 0.024 . 1 . 489 . . 44 TYR HE2 . 26603 1 586 . 1 1 46 46 TYR CA C 13 56.827 0.02 . 1 . 483 . . 44 TYR CA . 26603 1 587 . 1 1 46 46 TYR CB C 13 40.117 0.088 . 1 . 485 . . 44 TYR CB . 26603 1 588 . 1 1 46 46 TYR CD1 C 13 132.912 0.173 . 1 . 490 . . 44 TYR CD1 . 26603 1 589 . 1 1 46 46 TYR CD2 C 13 132.912 0.173 . 1 . 490 . . 44 TYR CD2 . 26603 1 590 . 1 1 46 46 TYR CE1 C 13 118.551 0.064 . 1 . 488 . . 44 TYR CE1 . 26603 1 591 . 1 1 46 46 TYR CE2 C 13 118.551 0.064 . 1 . 488 . . 44 TYR CE2 . 26603 1 592 . 1 1 46 46 TYR N N 15 129.814 0.092 . 1 . 481 . . 44 TYR N . 26603 1 593 . 1 1 47 47 PRO HA H 1 4.435 0.005 . 1 . 1445 . . 45 PRO HA . 26603 1 594 . 1 1 47 47 PRO HB2 H 1 2.315 0.007 . 1 . 1447 . . 45 PRO HB2 . 26603 1 595 . 1 1 47 47 PRO HG2 H 1 1.999 0.002 . 1 . 1521 . . 45 PRO HG2 . 26603 1 596 . 1 1 47 47 PRO CA C 13 63.698 0.01 . 1 . 1444 . . 45 PRO CA . 26603 1 597 . 1 1 47 47 PRO CB C 13 32.74 0.005 . 1 . 1446 . . 45 PRO CB . 26603 1 598 . 1 1 47 47 PRO CG C 13 27.841 0 . 1 . 1520 . . 45 PRO CG . 26603 1 599 . 1 1 48 48 ARG H H 1 5.496 0.013 . 1 . 1457 . . 46 ARG H . 26603 1 600 . 1 1 48 48 ARG HA H 1 4.322 0.009 . 1 . 493 . . 46 ARG HA . 26603 1 601 . 1 1 48 48 ARG HB2 H 1 1.853 0.017 . 2 . 495 . . 46 ARG HB2 . 26603 1 602 . 1 1 48 48 ARG HB3 H 1 1.865 0.001 . 2 . 496 . . 46 ARG HB3 . 26603 1 603 . 1 1 48 48 ARG HG2 H 1 1.489 0.03 . 2 . 498 . . 46 ARG HG2 . 26603 1 604 . 1 1 48 48 ARG HG3 H 1 1.44 0.004 . 2 . 499 . . 46 ARG HG3 . 26603 1 605 . 1 1 48 48 ARG HD2 H 1 3.165 0.006 . 2 . 501 . . 46 ARG HD2 . 26603 1 606 . 1 1 48 48 ARG HD3 H 1 3.168 0.008 . 2 . 502 . . 46 ARG HD3 . 26603 1 607 . 1 1 48 48 ARG HE H 1 7.235 0.002 . 1 . 1372 . . 46 ARG HE . 26603 1 608 . 1 1 48 48 ARG C C 13 176.84 0 . 1 . 504 . . 46 ARG C . 26603 1 609 . 1 1 48 48 ARG CA C 13 54.907 0.072 . 1 . 492 . . 46 ARG CA . 26603 1 610 . 1 1 48 48 ARG CB C 13 30.69 0 . 1 . 494 . . 46 ARG CB . 26603 1 611 . 1 1 48 48 ARG CG C 13 27.25 0.037 . 1 . 497 . . 46 ARG CG . 26603 1 612 . 1 1 48 48 ARG CD C 13 42.952 0.084 . 1 . 500 . . 46 ARG CD . 26603 1 613 . 1 1 48 48 ARG N N 15 110.832 0.071 . 1 . 1456 . . 46 ARG N . 26603 1 614 . 1 1 48 48 ARG NE N 15 83.972 0.022 . 1 . 503 . . 46 ARG NE . 26603 1 615 . 1 1 49 49 GLU H H 1 7.891 0.007 . 1 . 506 . . 47 GLU H . 26603 1 616 . 1 1 49 49 GLU HA H 1 4.48 0.012 . 1 . 508 . . 47 GLU HA . 26603 1 617 . 1 1 49 49 GLU HB2 H 1 2.303 0.026 . 2 . 510 . . 47 GLU HB2 . 26603 1 618 . 1 1 49 49 GLU HB3 H 1 2.315 0.023 . 2 . 511 . . 47 GLU HB3 . 26603 1 619 . 1 1 49 49 GLU HG2 H 1 2.28 0.013 . 2 . 513 . . 47 GLU HG2 . 26603 1 620 . 1 1 49 49 GLU HG3 H 1 2.539 0.031 . 2 . 514 . . 47 GLU HG3 . 26603 1 621 . 1 1 49 49 GLU C C 13 176.628 0 . 1 . 515 . . 47 GLU C . 26603 1 622 . 1 1 49 49 GLU CA C 13 56.406 0.011 . 1 . 507 . . 47 GLU CA . 26603 1 623 . 1 1 49 49 GLU CB C 13 31.095 0.29 . 1 . 509 . . 47 GLU CB . 26603 1 624 . 1 1 49 49 GLU CG C 13 36.558 0.164 . 1 . 512 . . 47 GLU CG . 26603 1 625 . 1 1 49 49 GLU N N 15 122.214 0.057 . 1 . 505 . . 47 GLU N . 26603 1 626 . 1 1 50 50 THR H H 1 8.891 0.009 . 1 . 517 . . 48 THR H . 26603 1 627 . 1 1 50 50 THR HA H 1 4.619 0.005 . 1 . 519 . . 48 THR HA . 26603 1 628 . 1 1 50 50 THR HB H 1 4.302 0.011 . 1 . 521 . . 48 THR HB . 26603 1 629 . 1 1 50 50 THR HG21 H 1 1.121 0.004 . 1 . 523 . . 48 THR HG21 . 26603 1 630 . 1 1 50 50 THR HG22 H 1 1.121 0.004 . 1 . 523 . . 48 THR HG22 . 26603 1 631 . 1 1 50 50 THR HG23 H 1 1.121 0.004 . 1 . 523 . . 48 THR HG23 . 26603 1 632 . 1 1 50 50 THR C C 13 174.823 0 . 1 . 524 . . 48 THR C . 26603 1 633 . 1 1 50 50 THR CA C 13 61.351 0.016 . 1 . 518 . . 48 THR CA . 26603 1 634 . 1 1 50 50 THR CB C 13 70.425 0.015 . 1 . 520 . . 48 THR CB . 26603 1 635 . 1 1 50 50 THR CG2 C 13 21.403 0.003 . 1 . 522 . . 48 THR CG2 . 26603 1 636 . 1 1 50 50 THR N N 15 116.167 0.055 . 1 . 516 . . 48 THR N . 26603 1 637 . 1 1 51 51 PHE H H 1 8.229 0.011 . 1 . 526 . . 49 PHE H . 26603 1 638 . 1 1 51 51 PHE HA H 1 4.677 0.014 . 1 . 528 . . 49 PHE HA . 26603 1 639 . 1 1 51 51 PHE HB2 H 1 3.282 0.014 . 2 . 530 . . 49 PHE HB2 . 26603 1 640 . 1 1 51 51 PHE HB3 H 1 3.312 0.022 . 2 . 531 . . 49 PHE HB3 . 26603 1 641 . 1 1 51 51 PHE HD1 H 1 7.368 0.028 . 1 . 532 . . 49 PHE HD1 . 26603 1 642 . 1 1 51 51 PHE HD2 H 1 7.368 0.028 . 1 . 532 . . 49 PHE HD2 . 26603 1 643 . 1 1 51 51 PHE HE1 H 1 7.369 0.005 . 1 . 534 . . 49 PHE HE1 . 26603 1 644 . 1 1 51 51 PHE HE2 H 1 7.369 0.005 . 1 . 534 . . 49 PHE HE2 . 26603 1 645 . 1 1 51 51 PHE C C 13 177.087 0 . 1 . 536 . . 49 PHE C . 26603 1 646 . 1 1 51 51 PHE CA C 13 60.091 0.013 . 1 . 527 . . 49 PHE CA . 26603 1 647 . 1 1 51 51 PHE CB C 13 40.087 0.049 . 1 . 529 . . 49 PHE CB . 26603 1 648 . 1 1 51 51 PHE CD1 C 13 132.141 0.464 . 1 . 535 . . 49 PHE CD1 . 26603 1 649 . 1 1 51 51 PHE CD2 C 13 132.141 0.464 . 1 . 535 . . 49 PHE CD2 . 26603 1 650 . 1 1 51 51 PHE CE1 C 13 134.09 0 . 1 . 533 . . 49 PHE CE1 . 26603 1 651 . 1 1 51 51 PHE CE2 C 13 134.09 0 . 1 . 533 . . 49 PHE CE2 . 26603 1 652 . 1 1 51 51 PHE N N 15 124.6 0.064 . 1 . 525 . . 49 PHE N . 26603 1 653 . 1 1 52 52 LEU H H 1 9.545 0.012 . 1 . 538 . . 50 LEU H . 26603 1 654 . 1 1 52 52 LEU HA H 1 4.42 0.029 . 1 . 540 . . 50 LEU HA . 26603 1 655 . 1 1 52 52 LEU HB2 H 1 1.619 0.019 . 2 . 1529 . . 50 LEU HB2 . 26603 1 656 . 1 1 52 52 LEU HB3 H 1 1.596 0.015 . 2 . 1530 . . 50 LEU HB3 . 26603 1 657 . 1 1 52 52 LEU HG H 1 0.965 0.011 . 1 . 542 . . 50 LEU HG . 26603 1 658 . 1 1 52 52 LEU HD11 H 1 0.938 0.03 . 2 . 543 . . 50 LEU HD11 . 26603 1 659 . 1 1 52 52 LEU HD12 H 1 0.938 0.03 . 2 . 543 . . 50 LEU HD12 . 26603 1 660 . 1 1 52 52 LEU HD13 H 1 0.938 0.03 . 2 . 543 . . 50 LEU HD13 . 26603 1 661 . 1 1 52 52 LEU HD21 H 1 1.112 0.01 . 2 . 544 . . 50 LEU HD21 . 26603 1 662 . 1 1 52 52 LEU HD22 H 1 1.112 0.01 . 2 . 544 . . 50 LEU HD22 . 26603 1 663 . 1 1 52 52 LEU HD23 H 1 1.112 0.01 . 2 . 544 . . 50 LEU HD23 . 26603 1 664 . 1 1 52 52 LEU CA C 13 52.972 0.041 . 1 . 539 . . 50 LEU CA . 26603 1 665 . 1 1 52 52 LEU CB C 13 42.346 0.001 . 1 . 1528 . . 50 LEU CB . 26603 1 666 . 1 1 52 52 LEU CG C 13 27.966 0.047 . 1 . 541 . . 50 LEU CG . 26603 1 667 . 1 1 52 52 LEU CD1 C 13 24.83 0.118 . 2 . 1403 . . 50 LEU CD1 . 26603 1 668 . 1 1 52 52 LEU CD2 C 13 23.111 0.041 . 2 . 1402 . . 50 LEU CD2 . 26603 1 669 . 1 1 52 52 LEU N N 15 122.607 0.091 . 1 . 537 . . 50 LEU N . 26603 1 670 . 1 1 53 53 PRO HA H 1 4.469 0.035 . 1 . 1432 . . 51 PRO HA . 26603 1 671 . 1 1 53 53 PRO HB2 H 1 2.511 0.007 . 2 . 1434 . . 51 PRO HB2 . 26603 1 672 . 1 1 53 53 PRO HB3 H 1 1.866 0.019 . 2 . 1435 . . 51 PRO HB3 . 26603 1 673 . 1 1 53 53 PRO HG2 H 1 1.993 0.011 . 2 . 1437 . . 51 PRO HG2 . 26603 1 674 . 1 1 53 53 PRO HG3 H 1 2.01 0 . 2 . 1438 . . 51 PRO HG3 . 26603 1 675 . 1 1 53 53 PRO HD2 H 1 3.525 0.011 . 2 . 1439 . . 51 PRO HD2 . 26603 1 676 . 1 1 53 53 PRO HD3 H 1 3.877 0.034 . 2 . 1441 . . 51 PRO HD3 . 26603 1 677 . 1 1 53 53 PRO CA C 13 63.124 0.067 . 1 . 1431 . . 51 PRO CA . 26603 1 678 . 1 1 53 53 PRO CB C 13 32.643 0.106 . 1 . 1433 . . 51 PRO CB . 26603 1 679 . 1 1 53 53 PRO CG C 13 27.855 0.051 . 1 . 1436 . . 51 PRO CG . 26603 1 680 . 1 1 53 53 PRO CD C 13 50.852 0.104 . 1 . 1440 . . 51 PRO CD . 26603 1 681 . 1 1 54 54 PRO HA H 1 4.588 0.012 . 1 . 546 . . 52 PRO HA . 26603 1 682 . 1 1 54 54 PRO HB2 H 1 2.261 0.031 . 2 . 548 . . 52 PRO HB2 . 26603 1 683 . 1 1 54 54 PRO HB3 H 1 2.019 0.02 . 2 . 549 . . 52 PRO HB3 . 26603 1 684 . 1 1 54 54 PRO HG2 H 1 1.797 0.032 . 2 . 551 . . 52 PRO HG2 . 26603 1 685 . 1 1 54 54 PRO HG3 H 1 1.618 0.041 . 2 . 1355 . . 52 PRO HG3 . 26603 1 686 . 1 1 54 54 PRO HD2 H 1 3.627 0.036 . 2 . 553 . . 52 PRO HD2 . 26603 1 687 . 1 1 54 54 PRO HD3 H 1 3.652 0.035 . 2 . 554 . . 52 PRO HD3 . 26603 1 688 . 1 1 54 54 PRO C C 13 175.358 0 . 1 . 555 . . 52 PRO C . 26603 1 689 . 1 1 54 54 PRO CA C 13 62.587 0.041 . 1 . 545 . . 52 PRO CA . 26603 1 690 . 1 1 54 54 PRO CB C 13 32.131 0.114 . 1 . 547 . . 52 PRO CB . 26603 1 691 . 1 1 54 54 PRO CG C 13 27.375 0.096 . 1 . 550 . . 52 PRO CG . 26603 1 692 . 1 1 54 54 PRO CD C 13 49.149 0 . 1 . 552 . . 52 PRO CD . 26603 1 693 . 1 1 55 55 LEU H H 1 8.008 0.011 . 1 . 557 . . 53 LEU H . 26603 1 694 . 1 1 55 55 LEU HA H 1 4.629 0.013 . 1 . 559 . . 53 LEU HA . 26603 1 695 . 1 1 55 55 LEU HB2 H 1 1.96 0.012 . 2 . 561 . . 53 LEU HB2 . 26603 1 696 . 1 1 55 55 LEU HB3 H 1 1.8 0.017 . 2 . 562 . . 53 LEU HB3 . 26603 1 697 . 1 1 55 55 LEU HG H 1 1.796 0.041 . 1 . 564 . . 53 LEU HG . 26603 1 698 . 1 1 55 55 LEU HD11 H 1 0.984 0.015 . 2 . 566 . . 53 LEU HD11 . 26603 1 699 . 1 1 55 55 LEU HD12 H 1 0.984 0.015 . 2 . 566 . . 53 LEU HD12 . 26603 1 700 . 1 1 55 55 LEU HD13 H 1 0.984 0.015 . 2 . 566 . . 53 LEU HD13 . 26603 1 701 . 1 1 55 55 LEU HD21 H 1 0.866 0.013 . 2 . 568 . . 53 LEU HD21 . 26603 1 702 . 1 1 55 55 LEU HD22 H 1 0.866 0.013 . 2 . 568 . . 53 LEU HD22 . 26603 1 703 . 1 1 55 55 LEU HD23 H 1 0.866 0.013 . 2 . 568 . . 53 LEU HD23 . 26603 1 704 . 1 1 55 55 LEU C C 13 177.142 0 . 1 . 569 . . 53 LEU C . 26603 1 705 . 1 1 55 55 LEU CA C 13 53.729 0.146 . 1 . 558 . . 53 LEU CA . 26603 1 706 . 1 1 55 55 LEU CB C 13 44.32 0.053 . 1 . 560 . . 53 LEU CB . 26603 1 707 . 1 1 55 55 LEU CG C 13 26.57 0 . 1 . 563 . . 53 LEU CG . 26603 1 708 . 1 1 55 55 LEU CD1 C 13 25.052 0.112 . 2 . 565 . . 53 LEU CD1 . 26603 1 709 . 1 1 55 55 LEU CD2 C 13 24.814 0.058 . 2 . 567 . . 53 LEU CD2 . 26603 1 710 . 1 1 55 55 LEU N N 15 122.799 0.105 . 1 . 556 . . 53 LEU N . 26603 1 711 . 1 1 56 56 ASP H H 1 8.628 0.015 . 1 . 571 . . 54 ASP H . 26603 1 712 . 1 1 56 56 ASP HA H 1 4.445 0.012 . 1 . 573 . . 54 ASP HA . 26603 1 713 . 1 1 56 56 ASP HB2 H 1 2.851 0.018 . 2 . 575 . . 54 ASP HB2 . 26603 1 714 . 1 1 56 56 ASP HB3 H 1 2.702 0.02 . 2 . 576 . . 54 ASP HB3 . 26603 1 715 . 1 1 56 56 ASP C C 13 175.5 0 . 1 . 577 . . 54 ASP C . 26603 1 716 . 1 1 56 56 ASP CA C 13 54.76 0.008 . 1 . 572 . . 54 ASP CA . 26603 1 717 . 1 1 56 56 ASP CB C 13 40.382 0.011 . 1 . 574 . . 54 ASP CB . 26603 1 718 . 1 1 56 56 ASP N N 15 121.575 0.083 . 1 . 570 . . 54 ASP N . 26603 1 719 . 1 1 57 57 LYS H H 1 7.336 0.005 . 1 . 579 . . 55 LYS H . 26603 1 720 . 1 1 57 57 LYS HA H 1 4.477 0.016 . 1 . 581 . . 55 LYS HA . 26603 1 721 . 1 1 57 57 LYS HB2 H 1 1.54 0.016 . 2 . 583 . . 55 LYS HB2 . 26603 1 722 . 1 1 57 57 LYS HB3 H 1 1.549 0.009 . 2 . 584 . . 55 LYS HB3 . 26603 1 723 . 1 1 57 57 LYS HG2 H 1 0.823 0.015 . 2 . 586 . . 55 LYS HG2 . 26603 1 724 . 1 1 57 57 LYS HG3 H 1 1.12 0.006 . 2 . 587 . . 55 LYS HG3 . 26603 1 725 . 1 1 57 57 LYS HD2 H 1 1.41 0.01 . 2 . 589 . . 55 LYS HD2 . 26603 1 726 . 1 1 57 57 LYS HD3 H 1 1.292 0.019 . 2 . 590 . . 55 LYS HD3 . 26603 1 727 . 1 1 57 57 LYS HE2 H 1 2.534 0.008 . 2 . 592 . . 55 LYS HE2 . 26603 1 728 . 1 1 57 57 LYS HE3 H 1 2.531 0.008 . 2 . 593 . . 55 LYS HE3 . 26603 1 729 . 1 1 57 57 LYS C C 13 174.443 0 . 1 . 594 . . 55 LYS C . 26603 1 730 . 1 1 57 57 LYS CA C 13 55.606 0.024 . 1 . 580 . . 55 LYS CA . 26603 1 731 . 1 1 57 57 LYS CB C 13 34.784 0.029 . 1 . 582 . . 55 LYS CB . 26603 1 732 . 1 1 57 57 LYS CG C 13 24.033 0.192 . 1 . 585 . . 55 LYS CG . 26603 1 733 . 1 1 57 57 LYS CD C 13 29.201 0.026 . 1 . 588 . . 55 LYS CD . 26603 1 734 . 1 1 57 57 LYS CE C 13 41.779 0.023 . 1 . 591 . . 55 LYS CE . 26603 1 735 . 1 1 57 57 LYS N N 15 120.394 0.025 . 1 . 578 . . 55 LYS N . 26603 1 736 . 1 1 58 58 THR H H 1 8.047 0.012 . 1 . 596 . . 56 THR H . 26603 1 737 . 1 1 58 58 THR HA H 1 4.776 0.01 . 1 . 598 . . 56 THR HA . 26603 1 738 . 1 1 58 58 THR HB H 1 4.246 0.011 . 1 . 600 . . 56 THR HB . 26603 1 739 . 1 1 58 58 THR HG21 H 1 1.277 0.017 . 1 . 602 . . 56 THR HG21 . 26603 1 740 . 1 1 58 58 THR HG22 H 1 1.277 0.017 . 1 . 602 . . 56 THR HG22 . 26603 1 741 . 1 1 58 58 THR HG23 H 1 1.277 0.017 . 1 . 602 . . 56 THR HG23 . 26603 1 742 . 1 1 58 58 THR C C 13 172.983 0 . 1 . 603 . . 56 THR C . 26603 1 743 . 1 1 58 58 THR CA C 13 62.657 0.073 . 1 . 597 . . 56 THR CA . 26603 1 744 . 1 1 58 58 THR CB C 13 71.001 0.028 . 1 . 599 . . 56 THR CB . 26603 1 745 . 1 1 58 58 THR CG2 C 13 22.68 0.066 . 1 . 601 . . 56 THR CG2 . 26603 1 746 . 1 1 58 58 THR N N 15 114.418 0.047 . 1 . 595 . . 56 THR N . 26603 1 747 . 1 1 59 59 LYS H H 1 7.498 0.01 . 1 . 605 . . 57 LYS H . 26603 1 748 . 1 1 59 59 LYS HA H 1 5.062 0.01 . 1 . 607 . . 57 LYS HA . 26603 1 749 . 1 1 59 59 LYS HB2 H 1 1.603 0.007 . 2 . 609 . . 57 LYS HB2 . 26603 1 750 . 1 1 59 59 LYS HB3 H 1 1.606 0.013 . 2 . 610 . . 57 LYS HB3 . 26603 1 751 . 1 1 59 59 LYS HG2 H 1 1.269 0.028 . 2 . 612 . . 57 LYS HG2 . 26603 1 752 . 1 1 59 59 LYS HG3 H 1 1.059 0.01 . 2 . 613 . . 57 LYS HG3 . 26603 1 753 . 1 1 59 59 LYS HD2 H 1 1.713 0.015 . 2 . 615 . . 57 LYS HD2 . 26603 1 754 . 1 1 59 59 LYS HD3 H 1 1.713 0.015 . 2 . 616 . . 57 LYS HD3 . 26603 1 755 . 1 1 59 59 LYS HE2 H 1 2.81 0.017 . 2 . 618 . . 57 LYS HE2 . 26603 1 756 . 1 1 59 59 LYS HE3 H 1 2.818 0.014 . 2 . 619 . . 57 LYS HE3 . 26603 1 757 . 1 1 59 59 LYS C C 13 175.744 0 . 1 . 620 . . 57 LYS C . 26603 1 758 . 1 1 59 59 LYS CA C 13 55.362 0.056 . 1 . 606 . . 57 LYS CA . 26603 1 759 . 1 1 59 59 LYS CB C 13 33.671 0.025 . 1 . 608 . . 57 LYS CB . 26603 1 760 . 1 1 59 59 LYS CG C 13 24.9 0.105 . 1 . 611 . . 57 LYS CG . 26603 1 761 . 1 1 59 59 LYS CD C 13 29.652 0 . 1 . 614 . . 57 LYS CD . 26603 1 762 . 1 1 59 59 LYS CE C 13 41.05 0.061 . 1 . 617 . . 57 LYS CE . 26603 1 763 . 1 1 59 59 LYS N N 15 120.799 0.06 . 1 . 604 . . 57 LYS N . 26603 1 764 . 1 1 60 60 PHE H H 1 9.825 0.008 . 1 . 622 . . 58 PHE H . 26603 1 765 . 1 1 60 60 PHE HA H 1 4.651 0.017 . 1 . 624 . . 58 PHE HA . 26603 1 766 . 1 1 60 60 PHE HB2 H 1 2.906 0.011 . 2 . 626 . . 58 PHE HB2 . 26603 1 767 . 1 1 60 60 PHE HB3 H 1 2.897 0.024 . 2 . 627 . . 58 PHE HB3 . 26603 1 768 . 1 1 60 60 PHE HD1 H 1 7.308 0.016 . 1 . 628 . . 58 PHE HD1 . 26603 1 769 . 1 1 60 60 PHE HD2 H 1 7.308 0.016 . 1 . 628 . . 58 PHE HD2 . 26603 1 770 . 1 1 60 60 PHE HE1 H 1 7.083 0.015 . 1 . 630 . . 58 PHE HE1 . 26603 1 771 . 1 1 60 60 PHE HE2 H 1 7.083 0.015 . 1 . 630 . . 58 PHE HE2 . 26603 1 772 . 1 1 60 60 PHE C C 13 173.751 0 . 1 . 631 . . 58 PHE C . 26603 1 773 . 1 1 60 60 PHE CA C 13 56.636 0.017 . 1 . 623 . . 58 PHE CA . 26603 1 774 . 1 1 60 60 PHE CB C 13 42.009 0.046 . 1 . 625 . . 58 PHE CB . 26603 1 775 . 1 1 60 60 PHE CD1 C 13 132.698 0.224 . 1 . 1401 . . 58 PHE CD1 . 26603 1 776 . 1 1 60 60 PHE CD2 C 13 132.698 0.224 . 1 . 1401 . . 58 PHE CD2 . 26603 1 777 . 1 1 60 60 PHE CE1 C 13 130.565 0.439 . 1 . 629 . . 58 PHE CE1 . 26603 1 778 . 1 1 60 60 PHE CE2 C 13 130.565 0.439 . 1 . 629 . . 58 PHE CE2 . 26603 1 779 . 1 1 60 60 PHE N N 15 124.472 0.048 . 1 . 621 . . 58 PHE N . 26603 1 780 . 1 1 61 61 LEU H H 1 8.641 0.015 . 1 . 633 . . 59 LEU H . 26603 1 781 . 1 1 61 61 LEU HA H 1 4.941 0.013 . 1 . 635 . . 59 LEU HA . 26603 1 782 . 1 1 61 61 LEU HB2 H 1 1.562 0.014 . 2 . 637 . . 59 LEU HB2 . 26603 1 783 . 1 1 61 61 LEU HB3 H 1 1.013 0.019 . 2 . 638 . . 59 LEU HB3 . 26603 1 784 . 1 1 61 61 LEU HG H 1 1.352 0.003 . 1 . 1523 . . 59 LEU HG . 26603 1 785 . 1 1 61 61 LEU HD11 H 1 0.641 0.021 . 2 . 640 . . 59 LEU HD11 . 26603 1 786 . 1 1 61 61 LEU HD12 H 1 0.641 0.021 . 2 . 640 . . 59 LEU HD12 . 26603 1 787 . 1 1 61 61 LEU HD13 H 1 0.641 0.021 . 2 . 640 . . 59 LEU HD13 . 26603 1 788 . 1 1 61 61 LEU HD21 H 1 0.59 0.019 . 2 . 642 . . 59 LEU HD21 . 26603 1 789 . 1 1 61 61 LEU HD22 H 1 0.59 0.019 . 2 . 642 . . 59 LEU HD22 . 26603 1 790 . 1 1 61 61 LEU HD23 H 1 0.59 0.019 . 2 . 642 . . 59 LEU HD23 . 26603 1 791 . 1 1 61 61 LEU C C 13 176.573 0 . 1 . 643 . . 59 LEU C . 26603 1 792 . 1 1 61 61 LEU CA C 13 53.343 0.032 . 1 . 634 . . 59 LEU CA . 26603 1 793 . 1 1 61 61 LEU CB C 13 41.98 0.05 . 1 . 636 . . 59 LEU CB . 26603 1 794 . 1 1 61 61 LEU CG C 13 27.268 0.04 . 1 . 1524 . . 59 LEU CG . 26603 1 795 . 1 1 61 61 LEU CD1 C 13 24.728 0.066 . 2 . 639 . . 59 LEU CD1 . 26603 1 796 . 1 1 61 61 LEU CD2 C 13 24.747 0.041 . 2 . 641 . . 59 LEU CD2 . 26603 1 797 . 1 1 61 61 LEU N N 15 124.403 0.05 . 1 . 632 . . 59 LEU N . 26603 1 798 . 1 1 62 62 VAL H H 1 8.631 0.007 . 1 . 645 . . 60 VAL H . 26603 1 799 . 1 1 62 62 VAL HA H 1 4.77 0.017 . 1 . 647 . . 60 VAL HA . 26603 1 800 . 1 1 62 62 VAL HB H 1 1.869 0.023 . 1 . 649 . . 60 VAL HB . 26603 1 801 . 1 1 62 62 VAL HG11 H 1 0.88 0.009 . 2 . 653 . . 60 VAL HG11 . 26603 1 802 . 1 1 62 62 VAL HG12 H 1 0.88 0.009 . 2 . 653 . . 60 VAL HG12 . 26603 1 803 . 1 1 62 62 VAL HG13 H 1 0.88 0.009 . 2 . 653 . . 60 VAL HG13 . 26603 1 804 . 1 1 62 62 VAL HG21 H 1 0.576 0.011 . 2 . 651 . . 60 VAL HG21 . 26603 1 805 . 1 1 62 62 VAL HG22 H 1 0.576 0.011 . 2 . 651 . . 60 VAL HG22 . 26603 1 806 . 1 1 62 62 VAL HG23 H 1 0.576 0.011 . 2 . 651 . . 60 VAL HG23 . 26603 1 807 . 1 1 62 62 VAL C C 13 176.573 0 . 1 . 654 . . 60 VAL C . 26603 1 808 . 1 1 62 62 VAL CA C 13 58.87 0.002 . 1 . 646 . . 60 VAL CA . 26603 1 809 . 1 1 62 62 VAL CB C 13 34.299 0.113 . 1 . 648 . . 60 VAL CB . 26603 1 810 . 1 1 62 62 VAL CG1 C 13 22.366 0.186 . 2 . 652 . . 60 VAL CG1 . 26603 1 811 . 1 1 62 62 VAL CG2 C 13 21.136 0.139 . 2 . 650 . . 60 VAL CG2 . 26603 1 812 . 1 1 62 62 VAL N N 15 122.58 0.073 . 1 . 644 . . 60 VAL N . 26603 1 813 . 1 1 63 63 PRO HA H 1 4.423 0.018 . 1 . 656 . . 61 PRO HA . 26603 1 814 . 1 1 63 63 PRO HB2 H 1 1.47 0.027 . 2 . 658 . . 61 PRO HB2 . 26603 1 815 . 1 1 63 63 PRO HB3 H 1 1.36 0.052 . 2 . 659 . . 61 PRO HB3 . 26603 1 816 . 1 1 63 63 PRO HG2 H 1 1.924 0.031 . 2 . 661 . . 61 PRO HG2 . 26603 1 817 . 1 1 63 63 PRO HG3 H 1 1.895 0.032 . 2 . 662 . . 61 PRO HG3 . 26603 1 818 . 1 1 63 63 PRO HD2 H 1 4.077 0.014 . 2 . 664 . . 61 PRO HD2 . 26603 1 819 . 1 1 63 63 PRO HD3 H 1 3.575 0.009 . 2 . 665 . . 61 PRO HD3 . 26603 1 820 . 1 1 63 63 PRO C C 13 177.586 0 . 1 . 666 . . 61 PRO C . 26603 1 821 . 1 1 63 63 PRO CA C 13 64.084 0.068 . 1 . 655 . . 61 PRO CA . 26603 1 822 . 1 1 63 63 PRO CB C 13 32.62 0 . 1 . 657 . . 61 PRO CB . 26603 1 823 . 1 1 63 63 PRO CG C 13 29.165 0.088 . 1 . 660 . . 61 PRO CG . 26603 1 824 . 1 1 63 63 PRO CD C 13 51.417 0.065 . 1 . 663 . . 61 PRO CD . 26603 1 825 . 1 1 64 64 GLN H H 1 8.036 0.014 . 1 . 668 . . 62 GLN H . 26603 1 826 . 1 1 64 64 GLN HA H 1 3.843 0.018 . 1 . 670 . . 62 GLN HA . 26603 1 827 . 1 1 64 64 GLN HB2 H 1 1.999 0.023 . 2 . 672 . . 62 GLN HB2 . 26603 1 828 . 1 1 64 64 GLN HB3 H 1 2.006 0.023 . 2 . 673 . . 62 GLN HB3 . 26603 1 829 . 1 1 64 64 GLN HG2 H 1 2.498 0.015 . 2 . 675 . . 62 GLN HG2 . 26603 1 830 . 1 1 64 64 GLN HG3 H 1 2.482 0.032 . 2 . 676 . . 62 GLN HG3 . 26603 1 831 . 1 1 64 64 GLN HE21 H 1 6.823 0.002 . 1 . 1698 . . 62 GLN HE21 . 26603 1 832 . 1 1 64 64 GLN HE22 H 1 7.483 0.003 . 1 . 1700 . . 62 GLN HE22 . 26603 1 833 . 1 1 64 64 GLN C C 13 177.586 0 . 1 . 677 . . 62 GLN C . 26603 1 834 . 1 1 64 64 GLN CA C 13 58.51 0 . 1 . 669 . . 62 GLN CA . 26603 1 835 . 1 1 64 64 GLN CB C 13 28.135 0.03 . 1 . 671 . . 62 GLN CB . 26603 1 836 . 1 1 64 64 GLN CG C 13 32.239 0.019 . 1 . 674 . . 62 GLN CG . 26603 1 837 . 1 1 64 64 GLN N N 15 120.356 0.077 . 1 . 667 . . 62 GLN N . 26603 1 838 . 1 1 64 64 GLN NE2 N 15 110.638 0.035 . 1 . 1699 . . 62 GLN NE2 . 26603 1 839 . 1 1 65 65 GLU H H 1 9.191 0.007 . 1 . 679 . . 63 GLU H . 26603 1 840 . 1 1 65 65 GLU HA H 1 4.351 0.013 . 1 . 681 . . 63 GLU HA . 26603 1 841 . 1 1 65 65 GLU HB2 H 1 2.106 0.023 . 2 . 683 . . 63 GLU HB2 . 26603 1 842 . 1 1 65 65 GLU HB3 H 1 2.088 0.02 . 2 . 684 . . 63 GLU HB3 . 26603 1 843 . 1 1 65 65 GLU HG2 H 1 2.565 0.032 . 2 . 686 . . 63 GLU HG2 . 26603 1 844 . 1 1 65 65 GLU HG3 H 1 2.334 0.025 . 2 . 687 . . 63 GLU HG3 . 26603 1 845 . 1 1 65 65 GLU C C 13 177.177 0 . 1 . 688 . . 63 GLU C . 26603 1 846 . 1 1 65 65 GLU CA C 13 56.862 0.093 . 1 . 680 . . 63 GLU CA . 26603 1 847 . 1 1 65 65 GLU CB C 13 28.75 0.007 . 1 . 682 . . 63 GLU CB . 26603 1 848 . 1 1 65 65 GLU CG C 13 36.132 0.116 . 1 . 685 . . 63 GLU CG . 26603 1 849 . 1 1 65 65 GLU N N 15 116.058 0.029 . 1 . 678 . . 63 GLU N . 26603 1 850 . 1 1 66 66 LEU H H 1 7.421 0.011 . 1 . 690 . . 64 LEU H . 26603 1 851 . 1 1 66 66 LEU HA H 1 4.288 0.025 . 1 . 692 . . 64 LEU HA . 26603 1 852 . 1 1 66 66 LEU HB2 H 1 1.625 0.021 . 2 . 1525 . . 64 LEU HB2 . 26603 1 853 . 1 1 66 66 LEU HB3 H 1 1.599 0.021 . 2 . 1527 . . 64 LEU HB3 . 26603 1 854 . 1 1 66 66 LEU HG H 1 1.974 0.013 . 1 . 694 . . 64 LEU HG . 26603 1 855 . 1 1 66 66 LEU HD11 H 1 0.877 0.021 . 2 . 696 . . 64 LEU HD11 . 26603 1 856 . 1 1 66 66 LEU HD12 H 1 0.877 0.021 . 2 . 696 . . 64 LEU HD12 . 26603 1 857 . 1 1 66 66 LEU HD13 H 1 0.877 0.021 . 2 . 696 . . 64 LEU HD13 . 26603 1 858 . 1 1 66 66 LEU HD21 H 1 0.916 0.026 . 2 . 698 . . 64 LEU HD21 . 26603 1 859 . 1 1 66 66 LEU HD22 H 1 0.916 0.026 . 2 . 698 . . 64 LEU HD22 . 26603 1 860 . 1 1 66 66 LEU HD23 H 1 0.916 0.026 . 2 . 698 . . 64 LEU HD23 . 26603 1 861 . 1 1 66 66 LEU C C 13 176.877 0 . 1 . 699 . . 64 LEU C . 26603 1 862 . 1 1 66 66 LEU CA C 13 55.688 0.126 . 1 . 691 . . 64 LEU CA . 26603 1 863 . 1 1 66 66 LEU CB C 13 42.816 0.059 . 1 . 1526 . . 64 LEU CB . 26603 1 864 . 1 1 66 66 LEU CG C 13 27.096 0.126 . 1 . 693 . . 64 LEU CG . 26603 1 865 . 1 1 66 66 LEU CD1 C 13 24.812 0.049 . 2 . 695 . . 64 LEU CD1 . 26603 1 866 . 1 1 66 66 LEU CD2 C 13 25.631 0.078 . 2 . 697 . . 64 LEU CD2 . 26603 1 867 . 1 1 66 66 LEU N N 15 122.162 0.053 . 1 . 689 . . 64 LEU N . 26603 1 868 . 1 1 67 67 THR H H 1 8.557 0.006 . 1 . 701 . . 65 THR H . 26603 1 869 . 1 1 67 67 THR HA H 1 5.074 0.014 . 1 . 703 . . 65 THR HA . 26603 1 870 . 1 1 67 67 THR HB H 1 4.617 0.015 . 1 . 705 . . 65 THR HB . 26603 1 871 . 1 1 67 67 THR HG1 H 1 5.559 0.004 . 1 . 1637 . . 65 THR HG1 . 26603 1 872 . 1 1 67 67 THR HG21 H 1 1.286 0.018 . 1 . 707 . . 65 THR HG21 . 26603 1 873 . 1 1 67 67 THR HG22 H 1 1.286 0.018 . 1 . 707 . . 65 THR HG22 . 26603 1 874 . 1 1 67 67 THR HG23 H 1 1.286 0.018 . 1 . 707 . . 65 THR HG23 . 26603 1 875 . 1 1 67 67 THR C C 13 177.057 0 . 1 . 708 . . 65 THR C . 26603 1 876 . 1 1 67 67 THR CA C 13 60.162 0.029 . 1 . 702 . . 65 THR CA . 26603 1 877 . 1 1 67 67 THR CB C 13 72.101 0.013 . 1 . 704 . . 65 THR CB . 26603 1 878 . 1 1 67 67 THR CG2 C 13 22.06 0.079 . 1 . 706 . . 65 THR CG2 . 26603 1 879 . 1 1 67 67 THR N N 15 112.124 0.066 . 1 . 700 . . 65 THR N . 26603 1 880 . 1 1 68 68 MET H H 1 8.549 0.011 . 1 . 710 . . 66 MET H . 26603 1 881 . 1 1 68 68 MET HA H 1 4.588 0.012 . 1 . 712 . . 66 MET HA . 26603 1 882 . 1 1 68 68 MET HB2 H 1 2.09 0.013 . 2 . 714 . . 66 MET HB2 . 26603 1 883 . 1 1 68 68 MET HB3 H 1 2.107 0.018 . 2 . 715 . . 66 MET HB3 . 26603 1 884 . 1 1 68 68 MET HG2 H 1 2.464 0.026 . 2 . 717 . . 66 MET HG2 . 26603 1 885 . 1 1 68 68 MET HG3 H 1 2.769 0.022 . 2 . 718 . . 66 MET HG3 . 26603 1 886 . 1 1 68 68 MET HE1 H 1 1.981 0.014 . 1 . 720 . . 66 MET HE1 . 26603 1 887 . 1 1 68 68 MET HE2 H 1 1.981 0.014 . 1 . 720 . . 66 MET HE2 . 26603 1 888 . 1 1 68 68 MET HE3 H 1 1.981 0.014 . 1 . 720 . . 66 MET HE3 . 26603 1 889 . 1 1 68 68 MET C C 13 179.046 0 . 1 . 721 . . 66 MET C . 26603 1 890 . 1 1 68 68 MET CA C 13 57.484 0.069 . 1 . 711 . . 66 MET CA . 26603 1 891 . 1 1 68 68 MET CB C 13 31.933 0.05 . 1 . 713 . . 66 MET CB . 26603 1 892 . 1 1 68 68 MET CG C 13 33.201 0.037 . 1 . 716 . . 66 MET CG . 26603 1 893 . 1 1 68 68 MET CE C 13 17.502 0.012 . 1 . 719 . . 66 MET CE . 26603 1 894 . 1 1 68 68 MET N N 15 120.725 0.071 . 1 . 709 . . 66 MET N . 26603 1 895 . 1 1 69 69 THR H H 1 8.191 0.009 . 1 . 723 . . 67 THR H . 26603 1 896 . 1 1 69 69 THR HA H 1 3.916 0.014 . 1 . 725 . . 67 THR HA . 26603 1 897 . 1 1 69 69 THR HB H 1 4.077 0.007 . 1 . 727 . . 67 THR HB . 26603 1 898 . 1 1 69 69 THR HG21 H 1 1.226 0.018 . 1 . 729 . . 67 THR HG21 . 26603 1 899 . 1 1 69 69 THR HG22 H 1 1.226 0.018 . 1 . 729 . . 67 THR HG22 . 26603 1 900 . 1 1 69 69 THR HG23 H 1 1.226 0.018 . 1 . 729 . . 67 THR HG23 . 26603 1 901 . 1 1 69 69 THR C C 13 176.77 0 . 1 . 730 . . 67 THR C . 26603 1 902 . 1 1 69 69 THR CA C 13 67.114 0.052 . 1 . 724 . . 67 THR CA . 26603 1 903 . 1 1 69 69 THR CB C 13 69.09 0.072 . 1 . 726 . . 67 THR CB . 26603 1 904 . 1 1 69 69 THR CG2 C 13 21.622 0.034 . 1 . 728 . . 67 THR CG2 . 26603 1 905 . 1 1 69 69 THR N N 15 115.44 0.062 . 1 . 722 . . 67 THR N . 26603 1 906 . 1 1 70 70 GLN H H 1 7.632 0.008 . 1 . 732 . . 68 GLN H . 26603 1 907 . 1 1 70 70 GLN HA H 1 4.145 0.026 . 1 . 734 . . 68 GLN HA . 26603 1 908 . 1 1 70 70 GLN HB2 H 1 2.06 0.02 . 2 . 736 . . 68 GLN HB2 . 26603 1 909 . 1 1 70 70 GLN HB3 H 1 2.035 0.037 . 2 . 737 . . 68 GLN HB3 . 26603 1 910 . 1 1 70 70 GLN HG2 H 1 2.45 0.036 . 2 . 739 . . 68 GLN HG2 . 26603 1 911 . 1 1 70 70 GLN HG3 H 1 2.439 0.028 . 2 . 740 . . 68 GLN HG3 . 26603 1 912 . 1 1 70 70 GLN HE21 H 1 7.57 0.004 . 1 . 1367 . . 68 GLN HE21 . 26603 1 913 . 1 1 70 70 GLN HE22 H 1 6.837 0.02 . 1 . 1365 . . 68 GLN HE22 . 26603 1 914 . 1 1 70 70 GLN C C 13 179.625 0 . 1 . 741 . . 68 GLN C . 26603 1 915 . 1 1 70 70 GLN CA C 13 58.817 0.084 . 1 . 733 . . 68 GLN CA . 26603 1 916 . 1 1 70 70 GLN CB C 13 28.785 0.167 . 1 . 735 . . 68 GLN CB . 26603 1 917 . 1 1 70 70 GLN CG C 13 34.927 0.1 . 1 . 738 . . 68 GLN CG . 26603 1 918 . 1 1 70 70 GLN N N 15 121.722 0.065 . 1 . 731 . . 68 GLN N . 26603 1 919 . 1 1 70 70 GLN NE2 N 15 111.752 0.155 . 1 . 1366 . . 68 GLN NE2 . 26603 1 920 . 1 1 71 71 PHE H H 1 9.012 0.004 . 1 . 743 . . 69 PHE H . 26603 1 921 . 1 1 71 71 PHE HA H 1 4.454 0.024 . 1 . 745 . . 69 PHE HA . 26603 1 922 . 1 1 71 71 PHE HB2 H 1 3.194 0.026 . 2 . 747 . . 69 PHE HB2 . 26603 1 923 . 1 1 71 71 PHE HB3 H 1 3.22 0.023 . 2 . 748 . . 69 PHE HB3 . 26603 1 924 . 1 1 71 71 PHE HD1 H 1 6.969 0.021 . 1 . 752 . . 69 PHE HD1 . 26603 1 925 . 1 1 71 71 PHE HD2 H 1 6.969 0.021 . 1 . 752 . . 69 PHE HD2 . 26603 1 926 . 1 1 71 71 PHE HE1 H 1 6.961 0.023 . 1 . 751 . . 69 PHE HE1 . 26603 1 927 . 1 1 71 71 PHE HE2 H 1 6.961 0.023 . 1 . 751 . . 69 PHE HE2 . 26603 1 928 . 1 1 71 71 PHE C C 13 176.829 0 . 1 . 753 . . 69 PHE C . 26603 1 929 . 1 1 71 71 PHE CA C 13 59.888 0.02 . 1 . 744 . . 69 PHE CA . 26603 1 930 . 1 1 71 71 PHE CB C 13 38.36 0.009 . 1 . 746 . . 69 PHE CB . 26603 1 931 . 1 1 71 71 PHE CD1 C 13 131.128 0.192 . 1 . 749 . . 69 PHE CD1 . 26603 1 932 . 1 1 71 71 PHE CD2 C 13 131.128 0.192 . 1 . 749 . . 69 PHE CD2 . 26603 1 933 . 1 1 71 71 PHE CE1 C 13 130.985 0.137 . 1 . 750 . . 69 PHE CE1 . 26603 1 934 . 1 1 71 71 PHE CE2 C 13 130.985 0.137 . 1 . 750 . . 69 PHE CE2 . 26603 1 935 . 1 1 71 71 PHE N N 15 122.751 0.021 . 1 . 742 . . 69 PHE N . 26603 1 936 . 1 1 72 72 LEU H H 1 8.756 0.01 . 1 . 755 . . 70 LEU H . 26603 1 937 . 1 1 72 72 LEU HA H 1 3.607 0.019 . 1 . 757 . . 70 LEU HA . 26603 1 938 . 1 1 72 72 LEU HB2 H 1 1.718 0.018 . 2 . 759 . . 70 LEU HB2 . 26603 1 939 . 1 1 72 72 LEU HB3 H 1 1.711 0.019 . 2 . 760 . . 70 LEU HB3 . 26603 1 940 . 1 1 72 72 LEU HG H 1 1.588 0.006 . 1 . 1539 . . 70 LEU HG . 26603 1 941 . 1 1 72 72 LEU HD11 H 1 0.799 0.016 . 2 . 1537 . . 70 LEU HD11 . 26603 1 942 . 1 1 72 72 LEU HD12 H 1 0.799 0.016 . 2 . 1537 . . 70 LEU HD12 . 26603 1 943 . 1 1 72 72 LEU HD13 H 1 0.799 0.016 . 2 . 1537 . . 70 LEU HD13 . 26603 1 944 . 1 1 72 72 LEU HD21 H 1 0.777 0.009 . 2 . 1541 . . 70 LEU HD21 . 26603 1 945 . 1 1 72 72 LEU HD22 H 1 0.777 0.009 . 2 . 1541 . . 70 LEU HD22 . 26603 1 946 . 1 1 72 72 LEU HD23 H 1 0.777 0.009 . 2 . 1541 . . 70 LEU HD23 . 26603 1 947 . 1 1 72 72 LEU C C 13 178.577 0 . 1 . 761 . . 70 LEU C . 26603 1 948 . 1 1 72 72 LEU CA C 13 59.087 0.076 . 1 . 756 . . 70 LEU CA . 26603 1 949 . 1 1 72 72 LEU CB C 13 41.656 0.119 . 1 . 758 . . 70 LEU CB . 26603 1 950 . 1 1 72 72 LEU CG C 13 27.503 0.042 . 1 . 1540 . . 70 LEU CG . 26603 1 951 . 1 1 72 72 LEU CD1 C 13 25.874 0.04 . 2 . 1538 . . 70 LEU CD1 . 26603 1 952 . 1 1 72 72 LEU CD2 C 13 25.179 0.064 . 2 . 1542 . . 70 LEU CD2 . 26603 1 953 . 1 1 72 72 LEU N N 15 119.956 0.049 . 1 . 754 . . 70 LEU N . 26603 1 954 . 1 1 73 73 SER H H 1 7.259 0.009 . 1 . 763 . . 71 SER H . 26603 1 955 . 1 1 73 73 SER HA H 1 4.028 0.029 . 1 . 765 . . 71 SER HA . 26603 1 956 . 1 1 73 73 SER HB2 H 1 4.004 0 . 2 . 767 . . 71 SER HB2 . 26603 1 957 . 1 1 73 73 SER HB3 H 1 4.02 0.021 . 2 . 768 . . 71 SER HB3 . 26603 1 958 . 1 1 73 73 SER C C 13 177.001 0 . 1 . 769 . . 71 SER C . 26603 1 959 . 1 1 73 73 SER CA C 13 62.699 0.019 . 1 . 764 . . 71 SER CA . 26603 1 960 . 1 1 73 73 SER CB C 13 62.954 0.001 . 1 . 766 . . 71 SER CB . 26603 1 961 . 1 1 73 73 SER N N 15 112.049 0.06 . 1 . 762 . . 71 SER N . 26603 1 962 . 1 1 74 74 ILE H H 1 7.463 0.016 . 1 . 771 . . 72 ILE H . 26603 1 963 . 1 1 74 74 ILE HA H 1 3.684 0.019 . 1 . 773 . . 72 ILE HA . 26603 1 964 . 1 1 74 74 ILE HB H 1 2.079 0.015 . 1 . 775 . . 72 ILE HB . 26603 1 965 . 1 1 74 74 ILE HG12 H 1 1.209 0.04 . 2 . 777 . . 72 ILE HG12 . 26603 1 966 . 1 1 74 74 ILE HG13 H 1 1.188 0.038 . 2 . 778 . . 72 ILE HG13 . 26603 1 967 . 1 1 74 74 ILE HG21 H 1 0.938 0.024 . 1 . 1499 . . 72 ILE HG21 . 26603 1 968 . 1 1 74 74 ILE HG22 H 1 0.938 0.024 . 1 . 1499 . . 72 ILE HG22 . 26603 1 969 . 1 1 74 74 ILE HG23 H 1 0.938 0.024 . 1 . 1499 . . 72 ILE HG23 . 26603 1 970 . 1 1 74 74 ILE HD11 H 1 1.001 0.021 . 1 . 780 . . 72 ILE HD11 . 26603 1 971 . 1 1 74 74 ILE HD12 H 1 1.001 0.021 . 1 . 780 . . 72 ILE HD12 . 26603 1 972 . 1 1 74 74 ILE HD13 H 1 1.001 0.021 . 1 . 780 . . 72 ILE HD13 . 26603 1 973 . 1 1 74 74 ILE C C 13 179.014 0 . 1 . 782 . . 72 ILE C . 26603 1 974 . 1 1 74 74 ILE CA C 13 65.283 0 . 1 . 772 . . 72 ILE CA . 26603 1 975 . 1 1 74 74 ILE CB C 13 38.032 0.095 . 1 . 774 . . 72 ILE CB . 26603 1 976 . 1 1 74 74 ILE CG1 C 13 29.207 0.037 . 1 . 776 . . 72 ILE CG1 . 26603 1 977 . 1 1 74 74 ILE CG2 C 13 16.661 0.013 . 1 . 781 . . 72 ILE CG2 . 26603 1 978 . 1 1 74 74 ILE CD1 C 13 14.103 0.045 . 1 . 779 . . 72 ILE CD1 . 26603 1 979 . 1 1 74 74 ILE N N 15 124.048 0.025 . 1 . 770 . . 72 ILE N . 26603 1 980 . 1 1 75 75 ILE H H 1 7.679 0.015 . 1 . 784 . . 73 ILE H . 26603 1 981 . 1 1 75 75 ILE HA H 1 3.264 0.028 . 1 . 786 . . 73 ILE HA . 26603 1 982 . 1 1 75 75 ILE HB H 1 1.535 0.026 . 1 . 788 . . 73 ILE HB . 26603 1 983 . 1 1 75 75 ILE HG12 H 1 0.414 0.027 . 2 . 790 . . 73 ILE HG12 . 26603 1 984 . 1 1 75 75 ILE HG13 H 1 0.134 0.015 . 2 . 1496 . . 73 ILE HG13 . 26603 1 985 . 1 1 75 75 ILE HG21 H 1 0.397 0.019 . 1 . 1495 . . 73 ILE HG21 . 26603 1 986 . 1 1 75 75 ILE HG22 H 1 0.397 0.019 . 1 . 1495 . . 73 ILE HG22 . 26603 1 987 . 1 1 75 75 ILE HG23 H 1 0.397 0.019 . 1 . 1495 . . 73 ILE HG23 . 26603 1 988 . 1 1 75 75 ILE HD11 H 1 -0.147 0.009 . 1 . 792 . . 73 ILE HD11 . 26603 1 989 . 1 1 75 75 ILE HD12 H 1 -0.147 0.009 . 1 . 792 . . 73 ILE HD12 . 26603 1 990 . 1 1 75 75 ILE HD13 H 1 -0.147 0.009 . 1 . 792 . . 73 ILE HD13 . 26603 1 991 . 1 1 75 75 ILE C C 13 177.824 0 . 1 . 794 . . 73 ILE C . 26603 1 992 . 1 1 75 75 ILE CA C 13 64.357 0.054 . 1 . 785 . . 73 ILE CA . 26603 1 993 . 1 1 75 75 ILE CB C 13 36.687 0.086 . 1 . 787 . . 73 ILE CB . 26603 1 994 . 1 1 75 75 ILE CG1 C 13 26.986 0.069 . 1 . 789 . . 73 ILE CG1 . 26603 1 995 . 1 1 75 75 ILE CG2 C 13 18.147 0.034 . 1 . 793 . . 73 ILE CG2 . 26603 1 996 . 1 1 75 75 ILE CD1 C 13 12.13 0.028 . 1 . 791 . . 73 ILE CD1 . 26603 1 997 . 1 1 75 75 ILE N N 15 120.78 0.076 . 1 . 783 . . 73 ILE N . 26603 1 998 . 1 1 76 76 ARG H H 1 8.307 0.009 . 1 . 796 . . 74 ARG H . 26603 1 999 . 1 1 76 76 ARG HA H 1 3.378 0.013 . 1 . 798 . . 74 ARG HA . 26603 1 1000 . 1 1 76 76 ARG HB2 H 1 1.618 0.016 . 2 . 800 . . 74 ARG HB2 . 26603 1 1001 . 1 1 76 76 ARG HB3 H 1 1.608 0.02 . 2 . 801 . . 74 ARG HB3 . 26603 1 1002 . 1 1 76 76 ARG HG2 H 1 1.383 0.01 . 2 . 803 . . 74 ARG HG2 . 26603 1 1003 . 1 1 76 76 ARG HG3 H 1 1.106 0.019 . 2 . 804 . . 74 ARG HG3 . 26603 1 1004 . 1 1 76 76 ARG HD2 H 1 2.974 0.02 . 2 . 806 . . 74 ARG HD2 . 26603 1 1005 . 1 1 76 76 ARG HD3 H 1 2.982 0.021 . 2 . 807 . . 74 ARG HD3 . 26603 1 1006 . 1 1 76 76 ARG HE H 1 7.191 0.005 . 1 . 1376 . . 74 ARG HE . 26603 1 1007 . 1 1 76 76 ARG C C 13 178.834 0 . 1 . 809 . . 74 ARG C . 26603 1 1008 . 1 1 76 76 ARG CA C 13 59.753 0.05 . 1 . 797 . . 74 ARG CA . 26603 1 1009 . 1 1 76 76 ARG CB C 13 30.168 0.006 . 1 . 799 . . 74 ARG CB . 26603 1 1010 . 1 1 76 76 ARG CG C 13 28.229 0.011 . 1 . 802 . . 74 ARG CG . 26603 1 1011 . 1 1 76 76 ARG CD C 13 43.25 0.057 . 1 . 805 . . 74 ARG CD . 26603 1 1012 . 1 1 76 76 ARG N N 15 117.67 0.079 . 1 . 795 . . 74 ARG N . 26603 1 1013 . 1 1 76 76 ARG NE N 15 83.312 0.091 . 1 . 808 . . 74 ARG NE . 26603 1 1014 . 1 1 77 77 SER H H 1 7.677 0.011 . 1 . 811 . . 75 SER H . 26603 1 1015 . 1 1 77 77 SER HA H 1 4.29 0.006 . 1 . 813 . . 75 SER HA . 26603 1 1016 . 1 1 77 77 SER HB2 H 1 4.013 0.008 . 2 . 815 . . 75 SER HB2 . 26603 1 1017 . 1 1 77 77 SER HB3 H 1 4.02 0.006 . 2 . 816 . . 75 SER HB3 . 26603 1 1018 . 1 1 77 77 SER C C 13 175.923 0 . 1 . 817 . . 75 SER C . 26603 1 1019 . 1 1 77 77 SER CA C 13 61.085 0.066 . 1 . 812 . . 75 SER CA . 26603 1 1020 . 1 1 77 77 SER CB C 13 62.941 0.041 . 1 . 814 . . 75 SER CB . 26603 1 1021 . 1 1 77 77 SER N N 15 112.515 0.065 . 1 . 810 . . 75 SER N . 26603 1 1022 . 1 1 78 78 ARG H H 1 7.667 0.01 . 1 . 819 . . 76 ARG H . 26603 1 1023 . 1 1 78 78 ARG HA H 1 4.296 0.019 . 1 . 821 . . 76 ARG HA . 26603 1 1024 . 1 1 78 78 ARG HB2 H 1 1.968 0.021 . 2 . 823 . . 76 ARG HB2 . 26603 1 1025 . 1 1 78 78 ARG HB3 H 1 1.855 0.029 . 2 . 824 . . 76 ARG HB3 . 26603 1 1026 . 1 1 78 78 ARG HG2 H 1 1.828 0.017 . 2 . 826 . . 76 ARG HG2 . 26603 1 1027 . 1 1 78 78 ARG HG3 H 1 1.704 0.035 . 2 . 827 . . 76 ARG HG3 . 26603 1 1028 . 1 1 78 78 ARG HD2 H 1 3.293 0.017 . 2 . 829 . . 76 ARG HD2 . 26603 1 1029 . 1 1 78 78 ARG HD3 H 1 3.28 0.002 . 2 . 830 . . 76 ARG HD3 . 26603 1 1030 . 1 1 78 78 ARG HE H 1 7.075 0 . 1 . 831 . . 76 ARG HE . 26603 1 1031 . 1 1 78 78 ARG C C 13 176.548 0 . 1 . 832 . . 76 ARG C . 26603 1 1032 . 1 1 78 78 ARG CA C 13 56.856 0.023 . 1 . 820 . . 76 ARG CA . 26603 1 1033 . 1 1 78 78 ARG CB C 13 30.709 0.044 . 1 . 822 . . 76 ARG CB . 26603 1 1034 . 1 1 78 78 ARG CG C 13 27.357 0.068 . 1 . 825 . . 76 ARG CG . 26603 1 1035 . 1 1 78 78 ARG CD C 13 42.577 0.016 . 1 . 828 . . 76 ARG CD . 26603 1 1036 . 1 1 78 78 ARG N N 15 120.841 0.019 . 1 . 818 . . 76 ARG N . 26603 1 1037 . 1 1 79 79 MET H H 1 7.613 0.023 . 1 . 834 . . 77 MET H . 26603 1 1038 . 1 1 79 79 MET HA H 1 4.335 0.016 . 1 . 836 . . 77 MET HA . 26603 1 1039 . 1 1 79 79 MET HB2 H 1 1.95 0.015 . 2 . 838 . . 77 MET HB2 . 26603 1 1040 . 1 1 79 79 MET HB3 H 1 1.783 0.03 . 2 . 839 . . 77 MET HB3 . 26603 1 1041 . 1 1 79 79 MET HG2 H 1 2.239 0.003 . 2 . 841 . . 77 MET HG2 . 26603 1 1042 . 1 1 79 79 MET HG3 H 1 2.231 0.027 . 2 . 842 . . 77 MET HG3 . 26603 1 1043 . 1 1 79 79 MET HE1 H 1 1.405 0.009 . 1 . 844 . . 77 MET HE1 . 26603 1 1044 . 1 1 79 79 MET HE2 H 1 1.405 0.009 . 1 . 844 . . 77 MET HE2 . 26603 1 1045 . 1 1 79 79 MET HE3 H 1 1.405 0.009 . 1 . 844 . . 77 MET HE3 . 26603 1 1046 . 1 1 79 79 MET C C 13 175.201 0 . 1 . 845 . . 77 MET C . 26603 1 1047 . 1 1 79 79 MET CA C 13 55.762 0.052 . 1 . 835 . . 77 MET CA . 26603 1 1048 . 1 1 79 79 MET CB C 13 34.683 0.002 . 1 . 837 . . 77 MET CB . 26603 1 1049 . 1 1 79 79 MET CG C 13 33.122 0 . 1 . 840 . . 77 MET CG . 26603 1 1050 . 1 1 79 79 MET CE C 13 17.534 0.023 . 1 . 843 . . 77 MET CE . 26603 1 1051 . 1 1 79 79 MET N N 15 117.899 0.106 . 1 . 833 . . 77 MET N . 26603 1 1052 . 1 1 80 80 VAL H H 1 8.029 0.014 . 1 . 847 . . 78 VAL H . 26603 1 1053 . 1 1 80 80 VAL HA H 1 3.785 0.013 . 1 . 849 . . 78 VAL HA . 26603 1 1054 . 1 1 80 80 VAL HB H 1 2.256 0.006 . 1 . 851 . . 78 VAL HB . 26603 1 1055 . 1 1 80 80 VAL HG11 H 1 0.935 0.01 . 2 . 855 . . 78 VAL HG11 . 26603 1 1056 . 1 1 80 80 VAL HG12 H 1 0.935 0.01 . 2 . 855 . . 78 VAL HG12 . 26603 1 1057 . 1 1 80 80 VAL HG13 H 1 0.935 0.01 . 2 . 855 . . 78 VAL HG13 . 26603 1 1058 . 1 1 80 80 VAL HG21 H 1 0.892 0.014 . 2 . 853 . . 78 VAL HG21 . 26603 1 1059 . 1 1 80 80 VAL HG22 H 1 0.892 0.014 . 2 . 853 . . 78 VAL HG22 . 26603 1 1060 . 1 1 80 80 VAL HG23 H 1 0.892 0.014 . 2 . 853 . . 78 VAL HG23 . 26603 1 1061 . 1 1 80 80 VAL C C 13 175.226 0 . 1 . 856 . . 78 VAL C . 26603 1 1062 . 1 1 80 80 VAL CA C 13 62.971 0.008 . 1 . 848 . . 78 VAL CA . 26603 1 1063 . 1 1 80 80 VAL CB C 13 30.45 0.003 . 1 . 850 . . 78 VAL CB . 26603 1 1064 . 1 1 80 80 VAL CG1 C 13 22.151 0.09 . 2 . 854 . . 78 VAL CG1 . 26603 1 1065 . 1 1 80 80 VAL CG2 C 13 20.686 0.002 . 2 . 852 . . 78 VAL CG2 . 26603 1 1066 . 1 1 80 80 VAL N N 15 119.265 0.067 . 1 . 846 . . 78 VAL N . 26603 1 1067 . 1 1 81 81 LEU H H 1 7.622 0.006 . 1 . 858 . . 79 LEU H . 26603 1 1068 . 1 1 81 81 LEU HA H 1 4.522 0.009 . 1 . 860 . . 79 LEU HA . 26603 1 1069 . 1 1 81 81 LEU HB2 H 1 1.499 0.017 . 2 . 862 . . 79 LEU HB2 . 26603 1 1070 . 1 1 81 81 LEU HB3 H 1 1.422 0.025 . 2 . 863 . . 79 LEU HB3 . 26603 1 1071 . 1 1 81 81 LEU HG H 1 1.509 0.025 . 1 . 865 . . 79 LEU HG . 26603 1 1072 . 1 1 81 81 LEU HD11 H 1 0.778 0.023 . 2 . 1493 . . 79 LEU HD11 . 26603 1 1073 . 1 1 81 81 LEU HD12 H 1 0.778 0.023 . 2 . 1493 . . 79 LEU HD12 . 26603 1 1074 . 1 1 81 81 LEU HD13 H 1 0.778 0.023 . 2 . 1493 . . 79 LEU HD13 . 26603 1 1075 . 1 1 81 81 LEU HD21 H 1 0.821 0.009 . 2 . 1535 . . 79 LEU HD21 . 26603 1 1076 . 1 1 81 81 LEU HD22 H 1 0.821 0.009 . 2 . 1535 . . 79 LEU HD22 . 26603 1 1077 . 1 1 81 81 LEU HD23 H 1 0.821 0.009 . 2 . 1535 . . 79 LEU HD23 . 26603 1 1078 . 1 1 81 81 LEU C C 13 177.395 0 . 1 . 866 . . 79 LEU C . 26603 1 1079 . 1 1 81 81 LEU CA C 13 53.698 0.028 . 1 . 859 . . 79 LEU CA . 26603 1 1080 . 1 1 81 81 LEU CB C 13 44.173 0.014 . 1 . 861 . . 79 LEU CB . 26603 1 1081 . 1 1 81 81 LEU CG C 13 23.801 0.009 . 1 . 864 . . 79 LEU CG . 26603 1 1082 . 1 1 81 81 LEU CD1 C 13 25.676 0.025 . 2 . 1494 . . 79 LEU CD1 . 26603 1 1083 . 1 1 81 81 LEU CD2 C 13 23.798 0.017 . 2 . 1536 . . 79 LEU CD2 . 26603 1 1084 . 1 1 81 81 LEU N N 15 121.827 0.03 . 1 . 857 . . 79 LEU N . 26603 1 1085 . 1 1 82 82 ARG H H 1 8.903 0.007 . 1 . 868 . . 80 ARG H . 26603 1 1086 . 1 1 82 82 ARG HA H 1 4.284 0.022 . 1 . 870 . . 80 ARG HA . 26603 1 1087 . 1 1 82 82 ARG HB2 H 1 1.76 0.021 . 2 . 872 . . 80 ARG HB2 . 26603 1 1088 . 1 1 82 82 ARG HB3 H 1 1.755 0.04 . 2 . 873 . . 80 ARG HB3 . 26603 1 1089 . 1 1 82 82 ARG HG2 H 1 1.745 0.007 . 2 . 875 . . 80 ARG HG2 . 26603 1 1090 . 1 1 82 82 ARG HG3 H 1 1.728 0.024 . 2 . 876 . . 80 ARG HG3 . 26603 1 1091 . 1 1 82 82 ARG HD2 H 1 3.18 0.007 . 2 . 878 . . 80 ARG HD2 . 26603 1 1092 . 1 1 82 82 ARG HD3 H 1 3.175 0.008 . 2 . 879 . . 80 ARG HD3 . 26603 1 1093 . 1 1 82 82 ARG HE H 1 7.248 0.026 . 1 . 1373 . . 80 ARG HE . 26603 1 1094 . 1 1 82 82 ARG C C 13 177.493 0 . 1 . 881 . . 80 ARG C . 26603 1 1095 . 1 1 82 82 ARG CA C 13 56.564 0.002 . 1 . 869 . . 80 ARG CA . 26603 1 1096 . 1 1 82 82 ARG CB C 13 30.764 0.036 . 1 . 871 . . 80 ARG CB . 26603 1 1097 . 1 1 82 82 ARG CG C 13 27.586 0.113 . 1 . 874 . . 80 ARG CG . 26603 1 1098 . 1 1 82 82 ARG CD C 13 43.432 0.044 . 1 . 877 . . 80 ARG CD . 26603 1 1099 . 1 1 82 82 ARG N N 15 122.33 0.053 . 1 . 867 . . 80 ARG N . 26603 1 1100 . 1 1 82 82 ARG NE N 15 84.543 0.153 . 1 . 880 . . 80 ARG NE . 26603 1 1101 . 1 1 83 83 ALA H H 1 8.602 0.011 . 1 . 883 . . 81 ALA H . 26603 1 1102 . 1 1 83 83 ALA HA H 1 4.197 0.014 . 1 . 885 . . 81 ALA HA . 26603 1 1103 . 1 1 83 83 ALA HB1 H 1 1.454 0.01 . 1 . 887 . . 81 ALA HB1 . 26603 1 1104 . 1 1 83 83 ALA HB2 H 1 1.454 0.01 . 1 . 887 . . 81 ALA HB2 . 26603 1 1105 . 1 1 83 83 ALA HB3 H 1 1.454 0.01 . 1 . 887 . . 81 ALA HB3 . 26603 1 1106 . 1 1 83 83 ALA C C 13 178.089 0 . 1 . 888 . . 81 ALA C . 26603 1 1107 . 1 1 83 83 ALA CA C 13 53.921 0.001 . 1 . 884 . . 81 ALA CA . 26603 1 1108 . 1 1 83 83 ALA CB C 13 19.102 0.097 . 1 . 886 . . 81 ALA CB . 26603 1 1109 . 1 1 83 83 ALA N N 15 124.531 0.046 . 1 . 882 . . 81 ALA N . 26603 1 1110 . 1 1 84 84 THR H H 1 7.557 0.008 . 1 . 890 . . 82 THR H . 26603 1 1111 . 1 1 84 84 THR HA H 1 4.24 0.019 . 1 . 892 . . 82 THR HA . 26603 1 1112 . 1 1 84 84 THR HB H 1 4.431 0.001 . 1 . 894 . . 82 THR HB . 26603 1 1113 . 1 1 84 84 THR HG21 H 1 1.2 0.01 . 1 . 896 . . 82 THR HG21 . 26603 1 1114 . 1 1 84 84 THR HG22 H 1 1.2 0.01 . 1 . 896 . . 82 THR HG22 . 26603 1 1115 . 1 1 84 84 THR HG23 H 1 1.2 0.01 . 1 . 896 . . 82 THR HG23 . 26603 1 1116 . 1 1 84 84 THR C C 13 174.872 0 . 1 . 897 . . 82 THR C . 26603 1 1117 . 1 1 84 84 THR CA C 13 61.31 0.029 . 1 . 891 . . 82 THR CA . 26603 1 1118 . 1 1 84 84 THR CB C 13 68.999 0.004 . 1 . 893 . . 82 THR CB . 26603 1 1119 . 1 1 84 84 THR CG2 C 13 21.73 0.044 . 1 . 895 . . 82 THR CG2 . 26603 1 1120 . 1 1 84 84 THR N N 15 106.115 0.059 . 1 . 889 . . 82 THR N . 26603 1 1121 . 1 1 85 85 GLU H H 1 7.839 0.01 . 1 . 899 . . 83 GLU H . 26603 1 1122 . 1 1 85 85 GLU HA H 1 4.311 0.011 . 1 . 901 . . 83 GLU HA . 26603 1 1123 . 1 1 85 85 GLU HB2 H 1 2.102 0.009 . 2 . 903 . . 83 GLU HB2 . 26603 1 1124 . 1 1 85 85 GLU HB3 H 1 2.092 0.014 . 2 . 904 . . 83 GLU HB3 . 26603 1 1125 . 1 1 85 85 GLU HG2 H 1 2.362 0.006 . 2 . 906 . . 83 GLU HG2 . 26603 1 1126 . 1 1 85 85 GLU HG3 H 1 2.368 0.011 . 2 . 907 . . 83 GLU HG3 . 26603 1 1127 . 1 1 85 85 GLU C C 13 175.85 0 . 1 . 908 . . 83 GLU C . 26603 1 1128 . 1 1 85 85 GLU CA C 13 56.602 0.047 . 1 . 900 . . 83 GLU CA . 26603 1 1129 . 1 1 85 85 GLU CB C 13 30.463 0.013 . 1 . 902 . . 83 GLU CB . 26603 1 1130 . 1 1 85 85 GLU CG C 13 36.872 0.047 . 1 . 905 . . 83 GLU CG . 26603 1 1131 . 1 1 85 85 GLU N N 15 122.74 0.05 . 1 . 898 . . 83 GLU N . 26603 1 1132 . 1 1 86 86 ALA H H 1 8.519 0.013 . 1 . 910 . . 84 ALA H . 26603 1 1133 . 1 1 86 86 ALA HA H 1 4.194 0.012 . 1 . 912 . . 84 ALA HA . 26603 1 1134 . 1 1 86 86 ALA HB1 H 1 1.405 0.012 . 1 . 914 . . 84 ALA HB1 . 26603 1 1135 . 1 1 86 86 ALA HB2 H 1 1.405 0.012 . 1 . 914 . . 84 ALA HB2 . 26603 1 1136 . 1 1 86 86 ALA HB3 H 1 1.405 0.012 . 1 . 914 . . 84 ALA HB3 . 26603 1 1137 . 1 1 86 86 ALA C C 13 175.784 0 . 1 . 915 . . 84 ALA C . 26603 1 1138 . 1 1 86 86 ALA CA C 13 52.354 0.022 . 1 . 911 . . 84 ALA CA . 26603 1 1139 . 1 1 86 86 ALA CB C 13 19.783 0.031 . 1 . 913 . . 84 ALA CB . 26603 1 1140 . 1 1 86 86 ALA N N 15 127.064 0.067 . 1 . 909 . . 84 ALA N . 26603 1 1141 . 1 1 87 87 PHE H H 1 7.392 0.013 . 1 . 917 . . 85 PHE H . 26603 1 1142 . 1 1 87 87 PHE HA H 1 4.611 0.022 . 1 . 919 . . 85 PHE HA . 26603 1 1143 . 1 1 87 87 PHE HB2 H 1 2.826 0.024 . 2 . 921 . . 85 PHE HB2 . 26603 1 1144 . 1 1 87 87 PHE HB3 H 1 2.824 0.007 . 2 . 922 . . 85 PHE HB3 . 26603 1 1145 . 1 1 87 87 PHE HD1 H 1 6.946 0.018 . 1 . 923 . . 85 PHE HD1 . 26603 1 1146 . 1 1 87 87 PHE HD2 H 1 6.946 0.018 . 1 . 923 . . 85 PHE HD2 . 26603 1 1147 . 1 1 87 87 PHE HE1 H 1 6.797 0.019 . 1 . 925 . . 85 PHE HE1 . 26603 1 1148 . 1 1 87 87 PHE HE2 H 1 6.797 0.019 . 1 . 925 . . 85 PHE HE2 . 26603 1 1149 . 1 1 87 87 PHE C C 13 172.577 0 . 1 . 927 . . 85 PHE C . 26603 1 1150 . 1 1 87 87 PHE CA C 13 57.889 0.018 . 1 . 918 . . 85 PHE CA . 26603 1 1151 . 1 1 87 87 PHE CB C 13 42.154 0.064 . 1 . 920 . . 85 PHE CB . 26603 1 1152 . 1 1 87 87 PHE CD1 C 13 131.276 0.295 . 1 . 926 . . 85 PHE CD1 . 26603 1 1153 . 1 1 87 87 PHE CD2 C 13 131.276 0.295 . 1 . 926 . . 85 PHE CD2 . 26603 1 1154 . 1 1 87 87 PHE CE1 C 13 131.25 0 . 1 . 924 . . 85 PHE CE1 . 26603 1 1155 . 1 1 87 87 PHE CE2 C 13 131.25 0 . 1 . 924 . . 85 PHE CE2 . 26603 1 1156 . 1 1 87 87 PHE N N 15 118.19 0.035 . 1 . 916 . . 85 PHE N . 26603 1 1157 . 1 1 88 88 TYR H H 1 8.775 0.01 . 1 . 929 . . 86 TYR H . 26603 1 1158 . 1 1 88 88 TYR HA H 1 4.646 0.017 . 1 . 931 . . 86 TYR HA . 26603 1 1159 . 1 1 88 88 TYR HB2 H 1 2.853 0.017 . 2 . 933 . . 86 TYR HB2 . 26603 1 1160 . 1 1 88 88 TYR HB3 H 1 2.837 0.024 . 2 . 934 . . 86 TYR HB3 . 26603 1 1161 . 1 1 88 88 TYR HD1 H 1 6.87 0.032 . 1 . 938 . . 86 TYR HD1 . 26603 1 1162 . 1 1 88 88 TYR HD2 H 1 6.87 0.032 . 1 . 938 . . 86 TYR HD2 . 26603 1 1163 . 1 1 88 88 TYR HE1 H 1 6.658 0.018 . 1 . 936 . . 86 TYR HE1 . 26603 1 1164 . 1 1 88 88 TYR HE2 H 1 6.658 0.018 . 1 . 936 . . 86 TYR HE2 . 26603 1 1165 . 1 1 88 88 TYR C C 13 174.006 0 . 1 . 939 . . 86 TYR C . 26603 1 1166 . 1 1 88 88 TYR CA C 13 56.697 0.091 . 1 . 930 . . 86 TYR CA . 26603 1 1167 . 1 1 88 88 TYR CB C 13 40.946 0 . 1 . 932 . . 86 TYR CB . 26603 1 1168 . 1 1 88 88 TYR CD1 C 13 133.134 0.243 . 1 . 937 . . 86 TYR CD1 . 26603 1 1169 . 1 1 88 88 TYR CD2 C 13 133.134 0.243 . 1 . 937 . . 86 TYR CD2 . 26603 1 1170 . 1 1 88 88 TYR CE1 C 13 117.786 0.196 . 1 . 935 . . 86 TYR CE1 . 26603 1 1171 . 1 1 88 88 TYR CE2 C 13 117.786 0.196 . 1 . 935 . . 86 TYR CE2 . 26603 1 1172 . 1 1 88 88 TYR N N 15 123.354 0.087 . 1 . 928 . . 86 TYR N . 26603 1 1173 . 1 1 89 89 LEU H H 1 8.451 0.006 . 1 . 941 . . 87 LEU H . 26603 1 1174 . 1 1 89 89 LEU HA H 1 5.258 0.01 . 1 . 943 . . 87 LEU HA . 26603 1 1175 . 1 1 89 89 LEU HB2 H 1 1.547 0.011 . 2 . 945 . . 87 LEU HB2 . 26603 1 1176 . 1 1 89 89 LEU HB3 H 1 1.554 0.022 . 2 . 946 . . 87 LEU HB3 . 26603 1 1177 . 1 1 89 89 LEU HG H 1 1.579 0.018 . 1 . 948 . . 87 LEU HG . 26603 1 1178 . 1 1 89 89 LEU HD11 H 1 0.89 0.003 . 2 . 1531 . . 87 LEU HD11 . 26603 1 1179 . 1 1 89 89 LEU HD12 H 1 0.89 0.003 . 2 . 1531 . . 87 LEU HD12 . 26603 1 1180 . 1 1 89 89 LEU HD13 H 1 0.89 0.003 . 2 . 1531 . . 87 LEU HD13 . 26603 1 1181 . 1 1 89 89 LEU HD21 H 1 0.9 0.015 . 2 . 1534 . . 87 LEU HD21 . 26603 1 1182 . 1 1 89 89 LEU HD22 H 1 0.9 0.015 . 2 . 1534 . . 87 LEU HD22 . 26603 1 1183 . 1 1 89 89 LEU HD23 H 1 0.9 0.015 . 2 . 1534 . . 87 LEU HD23 . 26603 1 1184 . 1 1 89 89 LEU C C 13 175.336 0 . 1 . 949 . . 87 LEU C . 26603 1 1185 . 1 1 89 89 LEU CA C 13 53.118 0.062 . 1 . 942 . . 87 LEU CA . 26603 1 1186 . 1 1 89 89 LEU CB C 13 45.151 0.067 . 1 . 944 . . 87 LEU CB . 26603 1 1187 . 1 1 89 89 LEU CG C 13 27.419 0.079 . 1 . 947 . . 87 LEU CG . 26603 1 1188 . 1 1 89 89 LEU CD1 C 13 24.805 0.022 . 2 . 1532 . . 87 LEU CD1 . 26603 1 1189 . 1 1 89 89 LEU CD2 C 13 25.692 0.051 . 2 . 1533 . . 87 LEU CD2 . 26603 1 1190 . 1 1 89 89 LEU N N 15 121.115 0.046 . 1 . 940 . . 87 LEU N . 26603 1 1191 . 1 1 90 90 LEU H H 1 9.193 0.008 . 1 . 951 . . 88 LEU H . 26603 1 1192 . 1 1 90 90 LEU HA H 1 4.805 0.017 . 1 . 953 . . 88 LEU HA . 26603 1 1193 . 1 1 90 90 LEU HB2 H 1 1.781 0.029 . 2 . 955 . . 88 LEU HB2 . 26603 1 1194 . 1 1 90 90 LEU HB3 H 1 0.978 0.031 . 2 . 956 . . 88 LEU HB3 . 26603 1 1195 . 1 1 90 90 LEU HG H 1 1.264 0.02 . 1 . 958 . . 88 LEU HG . 26603 1 1196 . 1 1 90 90 LEU HD11 H 1 0.445 0.017 . 2 . 1458 . . 88 LEU HD11 . 26603 1 1197 . 1 1 90 90 LEU HD12 H 1 0.445 0.017 . 2 . 1458 . . 88 LEU HD12 . 26603 1 1198 . 1 1 90 90 LEU HD13 H 1 0.445 0.017 . 2 . 1458 . . 88 LEU HD13 . 26603 1 1199 . 1 1 90 90 LEU HD21 H 1 0.453 0.009 . 2 . 1459 . . 88 LEU HD21 . 26603 1 1200 . 1 1 90 90 LEU HD22 H 1 0.453 0.009 . 2 . 1459 . . 88 LEU HD22 . 26603 1 1201 . 1 1 90 90 LEU HD23 H 1 0.453 0.009 . 2 . 1459 . . 88 LEU HD23 . 26603 1 1202 . 1 1 90 90 LEU C C 13 177.107 0 . 1 . 960 . . 88 LEU C . 26603 1 1203 . 1 1 90 90 LEU CA C 13 53.858 0.067 . 1 . 952 . . 88 LEU CA . 26603 1 1204 . 1 1 90 90 LEU CB C 13 43.739 0.023 . 1 . 954 . . 88 LEU CB . 26603 1 1205 . 1 1 90 90 LEU CG C 13 27.788 0.026 . 1 . 957 . . 88 LEU CG . 26603 1 1206 . 1 1 90 90 LEU CD1 C 13 24.488 0.034 . 2 . 1448 . . 88 LEU CD1 . 26603 1 1207 . 1 1 90 90 LEU CD2 C 13 25.123 0.043 . 2 . 959 . . 88 LEU CD2 . 26603 1 1208 . 1 1 90 90 LEU N N 15 123.332 0.089 . 1 . 950 . . 88 LEU N . 26603 1 1209 . 1 1 91 91 VAL H H 1 8.771 0.01 . 1 . 962 . . 89 VAL H . 26603 1 1210 . 1 1 91 91 VAL HA H 1 4.516 0.029 . 1 . 964 . . 89 VAL HA . 26603 1 1211 . 1 1 91 91 VAL HB H 1 1.64 0.02 . 1 . 966 . . 89 VAL HB . 26603 1 1212 . 1 1 91 91 VAL HG11 H 1 0.703 0.026 . 2 . 968 . . 89 VAL HG11 . 26603 1 1213 . 1 1 91 91 VAL HG12 H 1 0.703 0.026 . 2 . 968 . . 89 VAL HG12 . 26603 1 1214 . 1 1 91 91 VAL HG13 H 1 0.703 0.026 . 2 . 968 . . 89 VAL HG13 . 26603 1 1215 . 1 1 91 91 VAL HG21 H 1 0.642 0.021 . 2 . 970 . . 89 VAL HG21 . 26603 1 1216 . 1 1 91 91 VAL HG22 H 1 0.642 0.021 . 2 . 970 . . 89 VAL HG22 . 26603 1 1217 . 1 1 91 91 VAL HG23 H 1 0.642 0.021 . 2 . 970 . . 89 VAL HG23 . 26603 1 1218 . 1 1 91 91 VAL C C 13 176.609 0 . 1 . 971 . . 89 VAL C . 26603 1 1219 . 1 1 91 91 VAL CA C 13 61.304 0.03 . 1 . 963 . . 89 VAL CA . 26603 1 1220 . 1 1 91 91 VAL CB C 13 33.39 0.044 . 1 . 965 . . 89 VAL CB . 26603 1 1221 . 1 1 91 91 VAL CG1 C 13 21.253 0.044 . 2 . 969 . . 89 VAL CG1 . 26603 1 1222 . 1 1 91 91 VAL CG2 C 13 21.577 0.07 . 2 . 967 . . 89 VAL CG2 . 26603 1 1223 . 1 1 91 91 VAL N N 15 120.572 0.067 . 1 . 961 . . 89 VAL N . 26603 1 1224 . 1 1 92 92 ASN H H 1 9.555 0.008 . 1 . 973 . . 90 ASN H . 26603 1 1225 . 1 1 92 92 ASN HA H 1 4.435 0.019 . 1 . 975 . . 90 ASN HA . 26603 1 1226 . 1 1 92 92 ASN HB2 H 1 3.016 0.01 . 2 . 977 . . 90 ASN HB2 . 26603 1 1227 . 1 1 92 92 ASN HB3 H 1 3.28 0.013 . 2 . 978 . . 90 ASN HB3 . 26603 1 1228 . 1 1 92 92 ASN HD21 H 1 7.774 0.002 . 1 . 980 . . 90 ASN HD21 . 26603 1 1229 . 1 1 92 92 ASN HD22 H 1 7.213 0.012 . 1 . 981 . . 90 ASN HD22 . 26603 1 1230 . 1 1 92 92 ASN C C 13 174.857 0 . 1 . 982 . . 90 ASN C . 26603 1 1231 . 1 1 92 92 ASN CA C 13 54.738 0.063 . 1 . 974 . . 90 ASN CA . 26603 1 1232 . 1 1 92 92 ASN CB C 13 37.455 0.14 . 1 . 976 . . 90 ASN CB . 26603 1 1233 . 1 1 92 92 ASN CG C 13 177.97 0 . 1 . 979 . . 90 ASN CG . 26603 1 1234 . 1 1 92 92 ASN N N 15 126.175 0.051 . 1 . 972 . . 90 ASN N . 26603 1 1235 . 1 1 92 92 ASN ND2 N 15 112.07 0.063 . 1 . 1363 . . 90 ASN ND2 . 26603 1 1236 . 1 1 93 93 ASN H H 1 8.738 0.014 . 1 . 984 . . 91 ASN H . 26603 1 1237 . 1 1 93 93 ASN HA H 1 4.204 0.012 . 1 . 986 . . 91 ASN HA . 26603 1 1238 . 1 1 93 93 ASN HB2 H 1 3.17 0.018 . 2 . 988 . . 91 ASN HB2 . 26603 1 1239 . 1 1 93 93 ASN HB3 H 1 2.954 0.008 . 2 . 989 . . 91 ASN HB3 . 26603 1 1240 . 1 1 93 93 ASN HD21 H 1 7.543 0.011 . 1 . 990 . . 91 ASN HD21 . 26603 1 1241 . 1 1 93 93 ASN HD22 H 1 6.832 0.004 . 1 . 991 . . 91 ASN HD22 . 26603 1 1242 . 1 1 93 93 ASN C C 13 173.997 0 . 1 . 992 . . 91 ASN C . 26603 1 1243 . 1 1 93 93 ASN CA C 13 54.981 0.042 . 1 . 985 . . 91 ASN CA . 26603 1 1244 . 1 1 93 93 ASN CB C 13 38.343 0.054 . 1 . 987 . . 91 ASN CB . 26603 1 1245 . 1 1 93 93 ASN N N 15 109.89 0.092 . 1 . 983 . . 91 ASN N . 26603 1 1246 . 1 1 93 93 ASN ND2 N 15 112.755 0.055 . 1 . 1364 . . 91 ASN ND2 . 26603 1 1247 . 1 1 94 94 LYS H H 1 7.909 0.004 . 1 . 994 . . 92 LYS H . 26603 1 1248 . 1 1 94 94 LYS HA H 1 4.649 0.012 . 1 . 996 . . 92 LYS HA . 26603 1 1249 . 1 1 94 94 LYS HB2 H 1 1.895 0.012 . 2 . 998 . . 92 LYS HB2 . 26603 1 1250 . 1 1 94 94 LYS HB3 H 1 1.904 0.009 . 2 . 999 . . 92 LYS HB3 . 26603 1 1251 . 1 1 94 94 LYS HG2 H 1 1.515 0.01 . 2 . 1001 . . 92 LYS HG2 . 26603 1 1252 . 1 1 94 94 LYS HG3 H 1 1.516 0.015 . 2 . 1002 . . 92 LYS HG3 . 26603 1 1253 . 1 1 94 94 LYS HD2 H 1 1.768 0.007 . 2 . 1004 . . 92 LYS HD2 . 26603 1 1254 . 1 1 94 94 LYS HD3 H 1 1.749 0.032 . 2 . 1005 . . 92 LYS HD3 . 26603 1 1255 . 1 1 94 94 LYS HE2 H 1 3.085 0.003 . 2 . 1007 . . 92 LYS HE2 . 26603 1 1256 . 1 1 94 94 LYS HE3 H 1 3.065 0.034 . 2 . 1008 . . 92 LYS HE3 . 26603 1 1257 . 1 1 94 94 LYS C C 13 175.311 0 . 1 . 1009 . . 92 LYS C . 26603 1 1258 . 1 1 94 94 LYS CA C 13 55.973 0.011 . 1 . 995 . . 92 LYS CA . 26603 1 1259 . 1 1 94 94 LYS CB C 13 35.43 0.107 . 1 . 997 . . 92 LYS CB . 26603 1 1260 . 1 1 94 94 LYS CG C 13 24.426 0.043 . 1 . 1000 . . 92 LYS CG . 26603 1 1261 . 1 1 94 94 LYS CD C 13 29.098 0.08 . 1 . 1003 . . 92 LYS CD . 26603 1 1262 . 1 1 94 94 LYS CE C 13 42.091 0.016 . 1 . 1006 . . 92 LYS CE . 26603 1 1263 . 1 1 94 94 LYS N N 15 117.982 0.039 . 1 . 993 . . 92 LYS N . 26603 1 1264 . 1 1 95 95 SER H H 1 8.455 0.012 . 1 . 1011 . . 93 SER H . 26603 1 1265 . 1 1 95 95 SER HA H 1 4.673 0.013 . 1 . 1013 . . 93 SER HA . 26603 1 1266 . 1 1 95 95 SER HB2 H 1 3.747 0.015 . 2 . 1015 . . 93 SER HB2 . 26603 1 1267 . 1 1 95 95 SER HB3 H 1 3.75 0.021 . 2 . 1016 . . 93 SER HB3 . 26603 1 1268 . 1 1 95 95 SER C C 13 174.395 0 . 1 . 1017 . . 93 SER C . 26603 1 1269 . 1 1 95 95 SER CA C 13 58.406 0.078 . 1 . 1012 . . 93 SER CA . 26603 1 1270 . 1 1 95 95 SER CB C 13 63.812 0.001 . 1 . 1014 . . 93 SER CB . 26603 1 1271 . 1 1 95 95 SER N N 15 117.108 0.069 . 1 . 1010 . . 93 SER N . 26603 1 1272 . 1 1 96 96 LEU H H 1 8.672 0.004 . 1 . 1019 . . 94 LEU H . 26603 1 1273 . 1 1 96 96 LEU HA H 1 4.496 0.025 . 1 . 1021 . . 94 LEU HA . 26603 1 1274 . 1 1 96 96 LEU HB2 H 1 1.618 0.019 . 2 . 1023 . . 94 LEU HB2 . 26603 1 1275 . 1 1 96 96 LEU HB3 H 1 1.611 0.02 . 2 . 1024 . . 94 LEU HB3 . 26603 1 1276 . 1 1 96 96 LEU HG H 1 1.627 0.013 . 1 . 1026 . . 94 LEU HG . 26603 1 1277 . 1 1 96 96 LEU HD11 H 1 0.896 0.023 . 2 . 1028 . . 94 LEU HD11 . 26603 1 1278 . 1 1 96 96 LEU HD12 H 1 0.896 0.023 . 2 . 1028 . . 94 LEU HD12 . 26603 1 1279 . 1 1 96 96 LEU HD13 H 1 0.896 0.023 . 2 . 1028 . . 94 LEU HD13 . 26603 1 1280 . 1 1 96 96 LEU HD21 H 1 0.803 0.013 . 2 . 1030 . . 94 LEU HD21 . 26603 1 1281 . 1 1 96 96 LEU HD22 H 1 0.803 0.013 . 2 . 1030 . . 94 LEU HD22 . 26603 1 1282 . 1 1 96 96 LEU HD23 H 1 0.803 0.013 . 2 . 1030 . . 94 LEU HD23 . 26603 1 1283 . 1 1 96 96 LEU C C 13 177.624 0 . 1 . 1031 . . 94 LEU C . 26603 1 1284 . 1 1 96 96 LEU CA C 13 54.716 0.01 . 1 . 1020 . . 94 LEU CA . 26603 1 1285 . 1 1 96 96 LEU CB C 13 41.882 0.041 . 1 . 1022 . . 94 LEU CB . 26603 1 1286 . 1 1 96 96 LEU CG C 13 27.227 0.076 . 1 . 1025 . . 94 LEU CG . 26603 1 1287 . 1 1 96 96 LEU CD1 C 13 25.805 0.056 . 2 . 1027 . . 94 LEU CD1 . 26603 1 1288 . 1 1 96 96 LEU CD2 C 13 23.857 0.047 . 2 . 1029 . . 94 LEU CD2 . 26603 1 1289 . 1 1 96 96 LEU N N 15 125.878 0.038 . 1 . 1018 . . 94 LEU N . 26603 1 1290 . 1 1 97 97 VAL H H 1 8.332 0.002 . 1 . 1033 . . 95 VAL H . 26603 1 1291 . 1 1 97 97 VAL HA H 1 4.106 0.021 . 1 . 1035 . . 95 VAL HA . 26603 1 1292 . 1 1 97 97 VAL HB H 1 2.108 0.017 . 1 . 1037 . . 95 VAL HB . 26603 1 1293 . 1 1 97 97 VAL HG11 H 1 0.93 0.008 . 2 . 1519 . . 95 VAL HG11 . 26603 1 1294 . 1 1 97 97 VAL HG12 H 1 0.93 0.008 . 2 . 1519 . . 95 VAL HG12 . 26603 1 1295 . 1 1 97 97 VAL HG13 H 1 0.93 0.008 . 2 . 1519 . . 95 VAL HG13 . 26603 1 1296 . 1 1 97 97 VAL HG21 H 1 0.894 0.015 . 2 . 1039 . . 95 VAL HG21 . 26603 1 1297 . 1 1 97 97 VAL HG22 H 1 0.894 0.015 . 2 . 1039 . . 95 VAL HG22 . 26603 1 1298 . 1 1 97 97 VAL HG23 H 1 0.894 0.015 . 2 . 1039 . . 95 VAL HG23 . 26603 1 1299 . 1 1 97 97 VAL C C 13 176.012 0 . 1 . 1040 . . 95 VAL C . 26603 1 1300 . 1 1 97 97 VAL CA C 13 62.319 0.068 . 1 . 1034 . . 95 VAL CA . 26603 1 1301 . 1 1 97 97 VAL CB C 13 33.061 0.007 . 1 . 1036 . . 95 VAL CB . 26603 1 1302 . 1 1 97 97 VAL CG1 C 13 20.532 0.082 . 2 . 1518 . . 95 VAL CG1 . 26603 1 1303 . 1 1 97 97 VAL CG2 C 13 21.18 0.068 . 2 . 1038 . . 95 VAL CG2 . 26603 1 1304 . 1 1 97 97 VAL N N 15 120.207 0.061 . 1 . 1032 . . 95 VAL N . 26603 1 1305 . 1 1 98 98 SER H H 1 8.155 0.019 . 1 . 1042 . . 96 SER H . 26603 1 1306 . 1 1 98 98 SER HA H 1 4.59 0.006 . 1 . 1044 . . 96 SER HA . 26603 1 1307 . 1 1 98 98 SER HB2 H 1 3.98 0.025 . 2 . 1046 . . 96 SER HB2 . 26603 1 1308 . 1 1 98 98 SER HB3 H 1 3.883 0.027 . 2 . 1047 . . 96 SER HB3 . 26603 1 1309 . 1 1 98 98 SER C C 13 175.991 0 . 1 . 1048 . . 96 SER C . 26603 1 1310 . 1 1 98 98 SER CA C 13 57.031 0.009 . 1 . 1043 . . 96 SER CA . 26603 1 1311 . 1 1 98 98 SER CB C 13 63.561 0.023 . 1 . 1045 . . 96 SER CB . 26603 1 1312 . 1 1 98 98 SER N N 15 115.383 0.068 . 1 . 1041 . . 96 SER N . 26603 1 1313 . 1 1 99 99 MET H H 1 8.821 0.016 . 1 . 1050 . . 97 MET H . 26603 1 1314 . 1 1 99 99 MET HA H 1 4.645 0.011 . 1 . 1052 . . 97 MET HA . 26603 1 1315 . 1 1 99 99 MET HB2 H 1 2.295 0.023 . 2 . 1054 . . 97 MET HB2 . 26603 1 1316 . 1 1 99 99 MET HB3 H 1 2.056 0.026 . 2 . 1055 . . 97 MET HB3 . 26603 1 1317 . 1 1 99 99 MET HG2 H 1 2.904 0.011 . 2 . 1057 . . 97 MET HG2 . 26603 1 1318 . 1 1 99 99 MET HG3 H 1 2.642 0.012 . 2 . 1058 . . 97 MET HG3 . 26603 1 1319 . 1 1 99 99 MET HE1 H 1 2.092 0.01 . 1 . 1060 . . 97 MET HE1 . 26603 1 1320 . 1 1 99 99 MET HE2 H 1 2.092 0.01 . 1 . 1060 . . 97 MET HE2 . 26603 1 1321 . 1 1 99 99 MET HE3 H 1 2.092 0.01 . 1 . 1060 . . 97 MET HE3 . 26603 1 1322 . 1 1 99 99 MET C C 13 176.435 0 . 1 . 1061 . . 97 MET C . 26603 1 1323 . 1 1 99 99 MET CA C 13 55.494 0.068 . 1 . 1051 . . 97 MET CA . 26603 1 1324 . 1 1 99 99 MET CB C 13 31.107 0 . 1 . 1053 . . 97 MET CB . 26603 1 1325 . 1 1 99 99 MET CG C 13 33.04 0.076 . 1 . 1056 . . 97 MET CG . 26603 1 1326 . 1 1 99 99 MET CE C 13 17.685 0.012 . 1 . 1059 . . 97 MET CE . 26603 1 1327 . 1 1 99 99 MET N N 15 124.856 0.083 . 1 . 1049 . . 97 MET N . 26603 1 1328 . 1 1 100 100 SER H H 1 8.089 0.006 . 1 . 1063 . . 98 SER H . 26603 1 1329 . 1 1 100 100 SER HA H 1 4.594 0.011 . 1 . 1065 . . 98 SER HA . 26603 1 1330 . 1 1 100 100 SER HB2 H 1 3.984 0.027 . 2 . 1067 . . 98 SER HB2 . 26603 1 1331 . 1 1 100 100 SER HB3 H 1 3.888 0.02 . 2 . 1068 . . 98 SER HB3 . 26603 1 1332 . 1 1 100 100 SER C C 13 174.112 0 . 1 . 1069 . . 98 SER C . 26603 1 1333 . 1 1 100 100 SER CA C 13 57.884 0.057 . 1 . 1064 . . 98 SER CA . 26603 1 1334 . 1 1 100 100 SER CB C 13 63.567 0.024 . 1 . 1066 . . 98 SER CB . 26603 1 1335 . 1 1 100 100 SER N N 15 112.428 0.054 . 1 . 1062 . . 98 SER N . 26603 1 1336 . 1 1 101 101 ALA H H 1 7.196 0.008 . 1 . 1071 . . 99 ALA H . 26603 1 1337 . 1 1 101 101 ALA HA H 1 4.39 0.02 . 1 . 1073 . . 99 ALA HA . 26603 1 1338 . 1 1 101 101 ALA HB1 H 1 1.5 0.017 . 1 . 1075 . . 99 ALA HB1 . 26603 1 1339 . 1 1 101 101 ALA HB2 H 1 1.5 0.017 . 1 . 1075 . . 99 ALA HB2 . 26603 1 1340 . 1 1 101 101 ALA HB3 H 1 1.5 0.017 . 1 . 1075 . . 99 ALA HB3 . 26603 1 1341 . 1 1 101 101 ALA C C 13 176.949 0 . 1 . 1076 . . 99 ALA C . 26603 1 1342 . 1 1 101 101 ALA CA C 13 52.518 0.08 . 1 . 1072 . . 99 ALA CA . 26603 1 1343 . 1 1 101 101 ALA CB C 13 19.745 0.009 . 1 . 1074 . . 99 ALA CB . 26603 1 1344 . 1 1 101 101 ALA N N 15 124.958 0.022 . 1 . 1070 . . 99 ALA N . 26603 1 1345 . 1 1 102 102 THR H H 1 8.367 0.012 . 1 . 1078 . . 100 THR H . 26603 1 1346 . 1 1 102 102 THR HA H 1 4.949 0.022 . 1 . 1080 . . 100 THR HA . 26603 1 1347 . 1 1 102 102 THR HB H 1 4.722 0.013 . 1 . 1082 . . 100 THR HB . 26603 1 1348 . 1 1 102 102 THR HG21 H 1 1.286 0.01 . 1 . 1084 . . 100 THR HG21 . 26603 1 1349 . 1 1 102 102 THR HG22 H 1 1.286 0.01 . 1 . 1084 . . 100 THR HG22 . 26603 1 1350 . 1 1 102 102 THR HG23 H 1 1.286 0.01 . 1 . 1084 . . 100 THR HG23 . 26603 1 1351 . 1 1 102 102 THR C C 13 176.739 0 . 1 . 1085 . . 100 THR C . 26603 1 1352 . 1 1 102 102 THR CA C 13 60.088 0.064 . 1 . 1079 . . 100 THR CA . 26603 1 1353 . 1 1 102 102 THR CB C 13 71.551 0.004 . 1 . 1081 . . 100 THR CB . 26603 1 1354 . 1 1 102 102 THR CG2 C 13 22.091 0.068 . 1 . 1083 . . 100 THR CG2 . 26603 1 1355 . 1 1 102 102 THR N N 15 109.808 0.041 . 1 . 1077 . . 100 THR N . 26603 1 1356 . 1 1 103 103 MET H H 1 8.87 0.009 . 1 . 1087 . . 101 MET H . 26603 1 1357 . 1 1 103 103 MET HA H 1 4.354 0.038 . 1 . 1089 . . 101 MET HA . 26603 1 1358 . 1 1 103 103 MET HB2 H 1 2.087 0.03 . 2 . 1091 . . 101 MET HB2 . 26603 1 1359 . 1 1 103 103 MET HB3 H 1 2.004 0.053 . 2 . 1092 . . 101 MET HB3 . 26603 1 1360 . 1 1 103 103 MET HG2 H 1 2.364 0.037 . 2 . 1094 . . 101 MET HG2 . 26603 1 1361 . 1 1 103 103 MET HG3 H 1 2.351 0.043 . 2 . 1095 . . 101 MET HG3 . 26603 1 1362 . 1 1 103 103 MET HE1 H 1 1.337 0.01 . 1 . 1406 . . 101 MET HE1 . 26603 1 1363 . 1 1 103 103 MET HE2 H 1 1.337 0.01 . 1 . 1406 . . 101 MET HE2 . 26603 1 1364 . 1 1 103 103 MET HE3 H 1 1.337 0.01 . 1 . 1406 . . 101 MET HE3 . 26603 1 1365 . 1 1 103 103 MET C C 13 179.144 0 . 1 . 1097 . . 101 MET C . 26603 1 1366 . 1 1 103 103 MET CA C 13 56.022 0.169 . 1 . 1088 . . 101 MET CA . 26603 1 1367 . 1 1 103 103 MET CB C 13 30.209 0.01 . 1 . 1090 . . 101 MET CB . 26603 1 1368 . 1 1 103 103 MET CG C 13 34.022 0.08 . 1 . 1093 . . 101 MET CG . 26603 1 1369 . 1 1 103 103 MET CE C 13 16.149 0.013 . 1 . 1096 . . 101 MET CE . 26603 1 1370 . 1 1 103 103 MET N N 15 120.18 0.083 . 1 . 1086 . . 101 MET N . 26603 1 1371 . 1 1 104 104 ALA H H 1 8.621 0.009 . 1 . 1099 . . 102 ALA H . 26603 1 1372 . 1 1 104 104 ALA HA H 1 4.034 0.023 . 1 . 1101 . . 102 ALA HA . 26603 1 1373 . 1 1 104 104 ALA HB1 H 1 1.446 0.013 . 1 . 1103 . . 102 ALA HB1 . 26603 1 1374 . 1 1 104 104 ALA HB2 H 1 1.446 0.013 . 1 . 1103 . . 102 ALA HB2 . 26603 1 1375 . 1 1 104 104 ALA HB3 H 1 1.446 0.013 . 1 . 1103 . . 102 ALA HB3 . 26603 1 1376 . 1 1 104 104 ALA C C 13 180.621 0 . 1 . 1104 . . 102 ALA C . 26603 1 1377 . 1 1 104 104 ALA CA C 13 55.457 0.026 . 1 . 1100 . . 102 ALA CA . 26603 1 1378 . 1 1 104 104 ALA CB C 13 18.712 0.095 . 1 . 1102 . . 102 ALA CB . 26603 1 1379 . 1 1 104 104 ALA N N 15 121.708 0.175 . 1 . 1098 . . 102 ALA N . 26603 1 1380 . 1 1 105 105 GLU H H 1 7.602 0.008 . 1 . 1106 . . 103 GLU H . 26603 1 1381 . 1 1 105 105 GLU HA H 1 3.823 0.013 . 1 . 1108 . . 103 GLU HA . 26603 1 1382 . 1 1 105 105 GLU HB2 H 1 2.504 0.029 . 2 . 1110 . . 103 GLU HB2 . 26603 1 1383 . 1 1 105 105 GLU HB3 H 1 2.505 0.022 . 2 . 1111 . . 103 GLU HB3 . 26603 1 1384 . 1 1 105 105 GLU HG2 H 1 2.378 0.006 . 2 . 1113 . . 103 GLU HG2 . 26603 1 1385 . 1 1 105 105 GLU HG3 H 1 2.289 0.031 . 2 . 1114 . . 103 GLU HG3 . 26603 1 1386 . 1 1 105 105 GLU C C 13 178.111 0 . 1 . 1115 . . 103 GLU C . 26603 1 1387 . 1 1 105 105 GLU CA C 13 59.454 0.018 . 1 . 1107 . . 103 GLU CA . 26603 1 1388 . 1 1 105 105 GLU CB C 13 29.593 0.112 . 1 . 1109 . . 103 GLU CB . 26603 1 1389 . 1 1 105 105 GLU CG C 13 37.435 0.03 . 1 . 1112 . . 103 GLU CG . 26603 1 1390 . 1 1 105 105 GLU N N 15 120.462 0.07 . 1 . 1105 . . 103 GLU N . 26603 1 1391 . 1 1 106 106 ILE H H 1 8.33 0.006 . 1 . 1117 . . 104 ILE H . 26603 1 1392 . 1 1 106 106 ILE HA H 1 4.117 0.015 . 1 . 1119 . . 104 ILE HA . 26603 1 1393 . 1 1 106 106 ILE HB H 1 2.278 0.031 . 1 . 1121 . . 104 ILE HB . 26603 1 1394 . 1 1 106 106 ILE HG12 H 1 0.868 0.023 . 2 . 1123 . . 104 ILE HG12 . 26603 1 1395 . 1 1 106 106 ILE HG13 H 1 0.911 0.033 . 2 . 1124 . . 104 ILE HG13 . 26603 1 1396 . 1 1 106 106 ILE HG21 H 1 0.948 0.022 . 1 . 1128 . . 104 ILE HG21 . 26603 1 1397 . 1 1 106 106 ILE HG22 H 1 0.948 0.022 . 1 . 1128 . . 104 ILE HG22 . 26603 1 1398 . 1 1 106 106 ILE HG23 H 1 0.948 0.022 . 1 . 1128 . . 104 ILE HG23 . 26603 1 1399 . 1 1 106 106 ILE HD11 H 1 0.878 0.011 . 1 . 1126 . . 104 ILE HD11 . 26603 1 1400 . 1 1 106 106 ILE HD12 H 1 0.878 0.011 . 1 . 1126 . . 104 ILE HD12 . 26603 1 1401 . 1 1 106 106 ILE HD13 H 1 0.878 0.011 . 1 . 1126 . . 104 ILE HD13 . 26603 1 1402 . 1 1 106 106 ILE C C 13 178.259 0 . 1 . 1129 . . 104 ILE C . 26603 1 1403 . 1 1 106 106 ILE CA C 13 61.949 0.028 . 1 . 1118 . . 104 ILE CA . 26603 1 1404 . 1 1 106 106 ILE CB C 13 37.43 0.022 . 1 . 1120 . . 104 ILE CB . 26603 1 1405 . 1 1 106 106 ILE CG1 C 13 27.82 0.084 . 1 . 1122 . . 104 ILE CG1 . 26603 1 1406 . 1 1 106 106 ILE CG2 C 13 18.132 0.029 . 1 . 1127 . . 104 ILE CG2 . 26603 1 1407 . 1 1 106 106 ILE CD1 C 13 10.558 0.064 . 1 . 1125 . . 104 ILE CD1 . 26603 1 1408 . 1 1 106 106 ILE N N 15 120.058 0.109 . 1 . 1116 . . 104 ILE N . 26603 1 1409 . 1 1 107 107 TYR H H 1 8.95 0.006 . 1 . 1131 . . 105 TYR H . 26603 1 1410 . 1 1 107 107 TYR HA H 1 3.951 0.013 . 1 . 1133 . . 105 TYR HA . 26603 1 1411 . 1 1 107 107 TYR HB2 H 1 3.107 0.014 . 2 . 1135 . . 105 TYR HB2 . 26603 1 1412 . 1 1 107 107 TYR HB3 H 1 3.091 0.021 . 2 . 1136 . . 105 TYR HB3 . 26603 1 1413 . 1 1 107 107 TYR HD1 H 1 7.013 0.032 . 1 . 1140 . . 105 TYR HD1 . 26603 1 1414 . 1 1 107 107 TYR HD2 H 1 7.013 0.032 . 1 . 1140 . . 105 TYR HD2 . 26603 1 1415 . 1 1 107 107 TYR HE1 H 1 6.926 0.033 . 1 . 1137 . . 105 TYR HE1 . 26603 1 1416 . 1 1 107 107 TYR HE2 H 1 6.926 0.033 . 1 . 1137 . . 105 TYR HE2 . 26603 1 1417 . 1 1 107 107 TYR C C 13 176.64 0 . 1 . 1141 . . 105 TYR C . 26603 1 1418 . 1 1 107 107 TYR CA C 13 62.036 0.036 . 1 . 1132 . . 105 TYR CA . 26603 1 1419 . 1 1 107 107 TYR CB C 13 39.197 0.089 . 1 . 1134 . . 105 TYR CB . 26603 1 1420 . 1 1 107 107 TYR CD1 C 13 133.206 0.375 . 1 . 1139 . . 105 TYR CD1 . 26603 1 1421 . 1 1 107 107 TYR CD2 C 13 133.206 0.375 . 1 . 1139 . . 105 TYR CD2 . 26603 1 1422 . 1 1 107 107 TYR CE1 C 13 117.812 0.164 . 1 . 1138 . . 105 TYR CE1 . 26603 1 1423 . 1 1 107 107 TYR CE2 C 13 117.812 0.164 . 1 . 1138 . . 105 TYR CE2 . 26603 1 1424 . 1 1 107 107 TYR N N 15 121.159 0.043 . 1 . 1130 . . 105 TYR N . 26603 1 1425 . 1 1 108 108 ARG H H 1 7.634 0.008 . 1 . 1143 . . 106 ARG H . 26603 1 1426 . 1 1 108 108 ARG HA H 1 3.811 0.018 . 1 . 1145 . . 106 ARG HA . 26603 1 1427 . 1 1 108 108 ARG HB2 H 1 2.139 0.022 . 2 . 1147 . . 106 ARG HB2 . 26603 1 1428 . 1 1 108 108 ARG HB3 H 1 1.917 0.024 . 2 . 1148 . . 106 ARG HB3 . 26603 1 1429 . 1 1 108 108 ARG HG2 H 1 1.794 0.028 . 2 . 1150 . . 106 ARG HG2 . 26603 1 1430 . 1 1 108 108 ARG HG3 H 1 1.492 0.019 . 2 . 1151 . . 106 ARG HG3 . 26603 1 1431 . 1 1 108 108 ARG HD2 H 1 3.299 0.017 . 2 . 1153 . . 106 ARG HD2 . 26603 1 1432 . 1 1 108 108 ARG HD3 H 1 3.143 0.028 . 2 . 1154 . . 106 ARG HD3 . 26603 1 1433 . 1 1 108 108 ARG HE H 1 7.523 0.008 . 1 . 1359 . . 106 ARG HE . 26603 1 1434 . 1 1 108 108 ARG C C 13 178.333 0 . 1 . 1156 . . 106 ARG C . 26603 1 1435 . 1 1 108 108 ARG CA C 13 58.955 0.017 . 1 . 1144 . . 106 ARG CA . 26603 1 1436 . 1 1 108 108 ARG CB C 13 30.454 0.159 . 1 . 1146 . . 106 ARG CB . 26603 1 1437 . 1 1 108 108 ARG CG C 13 25.952 0.061 . 1 . 1149 . . 106 ARG CG . 26603 1 1438 . 1 1 108 108 ARG CD C 13 43.619 0.117 . 1 . 1152 . . 106 ARG CD . 26603 1 1439 . 1 1 108 108 ARG N N 15 116.111 0.072 . 1 . 1142 . . 106 ARG N . 26603 1 1440 . 1 1 108 108 ARG NE N 15 86.219 0.026 . 1 . 1155 . . 106 ARG NE . 26603 1 1441 . 1 1 109 109 ASP H H 1 7.545 0.008 . 1 . 1158 . . 107 ASP H . 26603 1 1442 . 1 1 109 109 ASP HA H 1 4.523 0.013 . 1 . 1160 . . 107 ASP HA . 26603 1 1443 . 1 1 109 109 ASP HB2 H 1 2.339 0.021 . 2 . 1162 . . 107 ASP HB2 . 26603 1 1444 . 1 1 109 109 ASP HB3 H 1 1.901 0.026 . 2 . 1163 . . 107 ASP HB3 . 26603 1 1445 . 1 1 109 109 ASP C C 13 178.135 0 . 1 . 1164 . . 107 ASP C . 26603 1 1446 . 1 1 109 109 ASP CA C 13 55.985 0.065 . 1 . 1159 . . 107 ASP CA . 26603 1 1447 . 1 1 109 109 ASP CB C 13 41.78 0.028 . 1 . 1161 . . 107 ASP CB . 26603 1 1448 . 1 1 109 109 ASP N N 15 114.594 0.054 . 1 . 1157 . . 107 ASP N . 26603 1 1449 . 1 1 110 110 TYR H H 1 8.522 0.007 . 1 . 1166 . . 108 TYR H . 26603 1 1450 . 1 1 110 110 TYR HA H 1 4.915 0.023 . 1 . 1168 . . 108 TYR HA . 26603 1 1451 . 1 1 110 110 TYR HB2 H 1 3.403 0.022 . 2 . 1170 . . 108 TYR HB2 . 26603 1 1452 . 1 1 110 110 TYR HB3 H 1 2.818 0.019 . 2 . 1171 . . 108 TYR HB3 . 26603 1 1453 . 1 1 110 110 TYR HD1 H 1 7.413 0.013 . 1 . 1258 . . 108 TYR HD1 . 26603 1 1454 . 1 1 110 110 TYR HD2 H 1 7.413 0.013 . 1 . 1258 . . 108 TYR HD2 . 26603 1 1455 . 1 1 110 110 TYR HE1 H 1 6.902 0.013 . 1 . 1256 . . 108 TYR HE1 . 26603 1 1456 . 1 1 110 110 TYR HE2 H 1 6.902 0.013 . 1 . 1256 . . 108 TYR HE2 . 26603 1 1457 . 1 1 110 110 TYR C C 13 175.946 0 . 1 . 1176 . . 108 TYR C . 26603 1 1458 . 1 1 110 110 TYR CA C 13 58.262 0.022 . 1 . 1167 . . 108 TYR CA . 26603 1 1459 . 1 1 110 110 TYR CB C 13 39.63 0.027 . 1 . 1169 . . 108 TYR CB . 26603 1 1460 . 1 1 110 110 TYR CD1 C 13 133.853 0.207 . 1 . 1257 . . 108 TYR CD1 . 26603 1 1461 . 1 1 110 110 TYR CD2 C 13 133.853 0.207 . 1 . 1257 . . 108 TYR CD2 . 26603 1 1462 . 1 1 110 110 TYR CE1 C 13 117.96 0.141 . 1 . 1255 . . 108 TYR CE1 . 26603 1 1463 . 1 1 110 110 TYR CE2 C 13 117.96 0.141 . 1 . 1255 . . 108 TYR CE2 . 26603 1 1464 . 1 1 110 110 TYR N N 15 114.982 0.029 . 1 . 1165 . . 108 TYR N . 26603 1 1465 . 1 1 111 111 LYS H H 1 7.606 0.007 . 1 . 1178 . . 109 LYS H . 26603 1 1466 . 1 1 111 111 LYS HA H 1 4.107 0.016 . 1 . 1180 . . 109 LYS HA . 26603 1 1467 . 1 1 111 111 LYS HB2 H 1 1.381 0.039 . 2 . 1182 . . 109 LYS HB2 . 26603 1 1468 . 1 1 111 111 LYS HB3 H 1 1.366 0.032 . 2 . 1183 . . 109 LYS HB3 . 26603 1 1469 . 1 1 111 111 LYS HG2 H 1 1.028 0.03 . 2 . 1185 . . 109 LYS HG2 . 26603 1 1470 . 1 1 111 111 LYS HG3 H 1 1.338 0.013 . 2 . 1186 . . 109 LYS HG3 . 26603 1 1471 . 1 1 111 111 LYS HD2 H 1 0.677 0.013 . 2 . 1188 . . 109 LYS HD2 . 26603 1 1472 . 1 1 111 111 LYS HD3 H 1 1.181 0.01 . 2 . 1189 . . 109 LYS HD3 . 26603 1 1473 . 1 1 111 111 LYS HE2 H 1 2.71 0.011 . 2 . 1191 . . 109 LYS HE2 . 26603 1 1474 . 1 1 111 111 LYS HE3 H 1 2.704 0.003 . 2 . 1192 . . 109 LYS HE3 . 26603 1 1475 . 1 1 111 111 LYS C C 13 175.148 0 . 1 . 1193 . . 109 LYS C . 26603 1 1476 . 1 1 111 111 LYS CA C 13 57.855 0.018 . 1 . 1179 . . 109 LYS CA . 26603 1 1477 . 1 1 111 111 LYS CB C 13 31.803 0.053 . 1 . 1181 . . 109 LYS CB . 26603 1 1478 . 1 1 111 111 LYS CG C 13 22.376 0.04 . 1 . 1184 . . 109 LYS CG . 26603 1 1479 . 1 1 111 111 LYS CD C 13 28.734 0.02 . 1 . 1187 . . 109 LYS CD . 26603 1 1480 . 1 1 111 111 LYS CE C 13 41.586 0.022 . 1 . 1190 . . 109 LYS CE . 26603 1 1481 . 1 1 111 111 LYS N N 15 119.516 0.065 . 1 . 1177 . . 109 LYS N . 26603 1 1482 . 1 1 112 112 ASP H H 1 9.234 0.015 . 1 . 1195 . . 110 ASP H . 26603 1 1483 . 1 1 112 112 ASP HA H 1 4.779 0.015 . 1 . 1197 . . 110 ASP HA . 26603 1 1484 . 1 1 112 112 ASP HB2 H 1 3.146 0.025 . 2 . 1199 . . 110 ASP HB2 . 26603 1 1485 . 1 1 112 112 ASP HB3 H 1 3.785 0.025 . 2 . 1200 . . 110 ASP HB3 . 26603 1 1486 . 1 1 112 112 ASP C C 13 177.423 0 . 1 . 1201 . . 110 ASP C . 26603 1 1487 . 1 1 112 112 ASP CA C 13 53.803 0.001 . 1 . 1196 . . 110 ASP CA . 26603 1 1488 . 1 1 112 112 ASP CB C 13 43.447 0.122 . 1 . 1198 . . 110 ASP CB . 26603 1 1489 . 1 1 112 112 ASP N N 15 124.955 0.058 . 1 . 1194 . . 110 ASP N . 26603 1 1490 . 1 1 113 113 GLU H H 1 8.849 0.002 . 1 . 1203 . . 111 GLU H . 26603 1 1491 . 1 1 113 113 GLU HA H 1 4.155 0.008 . 1 . 1205 . . 111 GLU HA . 26603 1 1492 . 1 1 113 113 GLU HB2 H 1 2.117 0.021 . 2 . 1207 . . 111 GLU HB2 . 26603 1 1493 . 1 1 113 113 GLU HB3 H 1 2.104 0.02 . 2 . 1208 . . 111 GLU HB3 . 26603 1 1494 . 1 1 113 113 GLU HG2 H 1 2.238 0.016 . 2 . 1210 . . 111 GLU HG2 . 26603 1 1495 . 1 1 113 113 GLU HG3 H 1 2.245 0.015 . 2 . 1211 . . 111 GLU HG3 . 26603 1 1496 . 1 1 113 113 GLU C C 13 177.58 0 . 1 . 1212 . . 111 GLU C . 26603 1 1497 . 1 1 113 113 GLU CA C 13 58.912 0.043 . 1 . 1204 . . 111 GLU CA . 26603 1 1498 . 1 1 113 113 GLU CB C 13 29.623 0.1 . 1 . 1206 . . 111 GLU CB . 26603 1 1499 . 1 1 113 113 GLU CG C 13 36.333 0 . 1 . 1209 . . 111 GLU CG . 26603 1 1500 . 1 1 113 113 GLU N N 15 125.2 0.035 . 1 . 1202 . . 111 GLU N . 26603 1 1501 . 1 1 114 114 ASP H H 1 9.956 0.008 . 1 . 1214 . . 112 ASP H . 26603 1 1502 . 1 1 114 114 ASP HA H 1 4.335 0.013 . 1 . 1216 . . 112 ASP HA . 26603 1 1503 . 1 1 114 114 ASP HB2 H 1 3.104 0.022 . 2 . 1218 . . 112 ASP HB2 . 26603 1 1504 . 1 1 114 114 ASP HB3 H 1 2.722 0.024 . 2 . 1219 . . 112 ASP HB3 . 26603 1 1505 . 1 1 114 114 ASP C C 13 175.758 0 . 1 . 1220 . . 112 ASP C . 26603 1 1506 . 1 1 114 114 ASP CA C 13 54.68 0.082 . 1 . 1215 . . 112 ASP CA . 26603 1 1507 . 1 1 114 114 ASP CB C 13 40.301 0.107 . 1 . 1217 . . 112 ASP CB . 26603 1 1508 . 1 1 114 114 ASP N N 15 119.94 0.033 . 1 . 1213 . . 112 ASP N . 26603 1 1509 . 1 1 115 115 GLY H H 1 7.961 0.007 . 1 . 1222 . . 113 GLY H . 26603 1 1510 . 1 1 115 115 GLY HA2 H 1 4.547 0.019 . 2 . 1224 . . 113 GLY HA2 . 26603 1 1511 . 1 1 115 115 GLY HA3 H 1 4.554 0.02 . 2 . 1225 . . 113 GLY HA3 . 26603 1 1512 . 1 1 115 115 GLY C C 13 175.187 0 . 1 . 1226 . . 113 GLY C . 26603 1 1513 . 1 1 115 115 GLY CA C 13 45.139 0.026 . 1 . 1223 . . 113 GLY CA . 26603 1 1514 . 1 1 115 115 GLY N N 15 105.878 0.049 . 1 . 1221 . . 113 GLY N . 26603 1 1515 . 1 1 116 116 PHE H H 1 9.47 0.013 . 1 . 1228 . . 114 PHE H . 26603 1 1516 . 1 1 116 116 PHE HA H 1 4.891 0.013 . 1 . 1230 . . 114 PHE HA . 26603 1 1517 . 1 1 116 116 PHE HB2 H 1 2.163 0.025 . 2 . 1232 . . 114 PHE HB2 . 26603 1 1518 . 1 1 116 116 PHE HB3 H 1 3.427 0.031 . 2 . 1233 . . 114 PHE HB3 . 26603 1 1519 . 1 1 116 116 PHE HD1 H 1 7.121 0.024 . 1 . 1497 . . 114 PHE HD1 . 26603 1 1520 . 1 1 116 116 PHE HD2 H 1 7.121 0.024 . 1 . 1497 . . 114 PHE HD2 . 26603 1 1521 . 1 1 116 116 PHE HE1 H 1 7.099 0.025 . 1 . 1498 . . 114 PHE HE1 . 26603 1 1522 . 1 1 116 116 PHE HE2 H 1 7.099 0.025 . 1 . 1498 . . 114 PHE HE2 . 26603 1 1523 . 1 1 116 116 PHE C C 13 176.094 0 . 1 . 1236 . . 114 PHE C . 26603 1 1524 . 1 1 116 116 PHE CA C 13 59.459 0.005 . 1 . 1229 . . 114 PHE CA . 26603 1 1525 . 1 1 116 116 PHE CB C 13 39.727 0 . 1 . 1231 . . 114 PHE CB . 26603 1 1526 . 1 1 116 116 PHE CD1 C 13 132.909 0.14 . 1 . 1235 . . 114 PHE CD1 . 26603 1 1527 . 1 1 116 116 PHE CD2 C 13 132.909 0.14 . 1 . 1235 . . 114 PHE CD2 . 26603 1 1528 . 1 1 116 116 PHE CE1 C 13 130.844 0.336 . 1 . 1234 . . 114 PHE CE1 . 26603 1 1529 . 1 1 116 116 PHE CE2 C 13 130.844 0.336 . 1 . 1234 . . 114 PHE CE2 . 26603 1 1530 . 1 1 116 116 PHE N N 15 122.48 0.071 . 1 . 1227 . . 114 PHE N . 26603 1 1531 . 1 1 117 117 VAL H H 1 7.896 0.008 . 1 . 1238 . . 115 VAL H . 26603 1 1532 . 1 1 117 117 VAL HA H 1 4.822 0.017 . 1 . 1240 . . 115 VAL HA . 26603 1 1533 . 1 1 117 117 VAL HB H 1 2.021 0.021 . 1 . 1242 . . 115 VAL HB . 26603 1 1534 . 1 1 117 117 VAL HG11 H 1 1.049 0.029 . 2 . 1246 . . 115 VAL HG11 . 26603 1 1535 . 1 1 117 117 VAL HG12 H 1 1.049 0.029 . 2 . 1246 . . 115 VAL HG12 . 26603 1 1536 . 1 1 117 117 VAL HG13 H 1 1.049 0.029 . 2 . 1246 . . 115 VAL HG13 . 26603 1 1537 . 1 1 117 117 VAL HG21 H 1 1.005 0.009 . 2 . 1244 . . 115 VAL HG21 . 26603 1 1538 . 1 1 117 117 VAL HG22 H 1 1.005 0.009 . 2 . 1244 . . 115 VAL HG22 . 26603 1 1539 . 1 1 117 117 VAL HG23 H 1 1.005 0.009 . 2 . 1244 . . 115 VAL HG23 . 26603 1 1540 . 1 1 117 117 VAL C C 13 172.77 0 . 1 . 1247 . . 115 VAL C . 26603 1 1541 . 1 1 117 117 VAL CA C 13 60.954 0.048 . 1 . 1239 . . 115 VAL CA . 26603 1 1542 . 1 1 117 117 VAL CB C 13 34.479 0.096 . 1 . 1241 . . 115 VAL CB . 26603 1 1543 . 1 1 117 117 VAL CG1 C 13 22.998 0.04 . 2 . 1245 . . 115 VAL CG1 . 26603 1 1544 . 1 1 117 117 VAL CG2 C 13 21.828 0.067 . 2 . 1243 . . 115 VAL CG2 . 26603 1 1545 . 1 1 117 117 VAL N N 15 116.442 0.065 . 1 . 1237 . . 115 VAL N . 26603 1 1546 . 1 1 118 118 TYR H H 1 9.33 0.01 . 1 . 1249 . . 116 TYR H . 26603 1 1547 . 1 1 118 118 TYR HA H 1 5.08 0.027 . 1 . 1251 . . 116 TYR HA . 26603 1 1548 . 1 1 118 118 TYR HB2 H 1 2.867 0.016 . 2 . 1253 . . 116 TYR HB2 . 26603 1 1549 . 1 1 118 118 TYR HB3 H 1 2.867 0.017 . 2 . 1254 . . 116 TYR HB3 . 26603 1 1550 . 1 1 118 118 TYR HD1 H 1 7.272 0.037 . 1 . 1175 . . 116 TYR HD1 . 26603 1 1551 . 1 1 118 118 TYR HD2 H 1 7.272 0.037 . 1 . 1175 . . 116 TYR HD2 . 26603 1 1552 . 1 1 118 118 TYR HE1 H 1 7.158 0.018 . 1 . 1173 . . 116 TYR HE1 . 26603 1 1553 . 1 1 118 118 TYR HE2 H 1 7.158 0.018 . 1 . 1173 . . 116 TYR HE2 . 26603 1 1554 . 1 1 118 118 TYR C C 13 176.259 0 . 1 . 1259 . . 116 TYR C . 26603 1 1555 . 1 1 118 118 TYR CA C 13 58.585 0.057 . 1 . 1250 . . 116 TYR CA . 26603 1 1556 . 1 1 118 118 TYR CB C 13 39.655 0.026 . 1 . 1252 . . 116 TYR CB . 26603 1 1557 . 1 1 118 118 TYR CD1 C 13 131.506 0.344 . 1 . 1174 . . 116 TYR CD1 . 26603 1 1558 . 1 1 118 118 TYR CD2 C 13 131.506 0.344 . 1 . 1174 . . 116 TYR CD2 . 26603 1 1559 . 1 1 118 118 TYR CE1 C 13 118.385 0.16 . 1 . 1172 . . 116 TYR CE1 . 26603 1 1560 . 1 1 118 118 TYR CE2 C 13 118.385 0.16 . 1 . 1172 . . 116 TYR CE2 . 26603 1 1561 . 1 1 118 118 TYR N N 15 127.448 0.072 . 1 . 1248 . . 116 TYR N . 26603 1 1562 . 1 1 119 119 MET H H 1 9.568 0.006 . 1 . 1261 . . 117 MET H . 26603 1 1563 . 1 1 119 119 MET HA H 1 5.636 0.009 . 1 . 1263 . . 117 MET HA . 26603 1 1564 . 1 1 119 119 MET HB2 H 1 2.131 0.039 . 2 . 1265 . . 117 MET HB2 . 26603 1 1565 . 1 1 119 119 MET HB3 H 1 1.944 0.016 . 2 . 1266 . . 117 MET HB3 . 26603 1 1566 . 1 1 119 119 MET HG2 H 1 2.579 0.022 . 2 . 1268 . . 117 MET HG2 . 26603 1 1567 . 1 1 119 119 MET HG3 H 1 2.45 0.017 . 2 . 1269 . . 117 MET HG3 . 26603 1 1568 . 1 1 119 119 MET HE1 H 1 1.913 0.008 . 1 . 1271 . . 117 MET HE1 . 26603 1 1569 . 1 1 119 119 MET HE2 H 1 1.913 0.008 . 1 . 1271 . . 117 MET HE2 . 26603 1 1570 . 1 1 119 119 MET HE3 H 1 1.913 0.008 . 1 . 1271 . . 117 MET HE3 . 26603 1 1571 . 1 1 119 119 MET C C 13 176.126 0 . 1 . 1272 . . 117 MET C . 26603 1 1572 . 1 1 119 119 MET CA C 13 54.265 0.051 . 1 . 1262 . . 117 MET CA . 26603 1 1573 . 1 1 119 119 MET CB C 13 37.412 0.18 . 1 . 1264 . . 117 MET CB . 26603 1 1574 . 1 1 119 119 MET CG C 13 33.652 0.078 . 1 . 1267 . . 117 MET CG . 26603 1 1575 . 1 1 119 119 MET CE C 13 18.875 0.019 . 1 . 1270 . . 117 MET CE . 26603 1 1576 . 1 1 119 119 MET N N 15 120.269 0.054 . 1 . 1260 . . 117 MET N . 26603 1 1577 . 1 1 120 120 THR H H 1 9.02 0.011 . 1 . 1274 . . 118 THR H . 26603 1 1578 . 1 1 120 120 THR HA H 1 6.278 0.018 . 1 . 1276 . . 118 THR HA . 26603 1 1579 . 1 1 120 120 THR HB H 1 4.072 0.012 . 1 . 1278 . . 118 THR HB . 26603 1 1580 . 1 1 120 120 THR HG21 H 1 1.28 0.017 . 1 . 1280 . . 118 THR HG21 . 26603 1 1581 . 1 1 120 120 THR HG22 H 1 1.28 0.017 . 1 . 1280 . . 118 THR HG22 . 26603 1 1582 . 1 1 120 120 THR HG23 H 1 1.28 0.017 . 1 . 1280 . . 118 THR HG23 . 26603 1 1583 . 1 1 120 120 THR C C 13 173.868 0 . 1 . 1281 . . 118 THR C . 26603 1 1584 . 1 1 120 120 THR CA C 13 58.797 0.021 . 1 . 1275 . . 118 THR CA . 26603 1 1585 . 1 1 120 120 THR CB C 13 72.917 0.058 . 1 . 1277 . . 118 THR CB . 26603 1 1586 . 1 1 120 120 THR CG2 C 13 22.665 0.036 . 1 . 1279 . . 118 THR CG2 . 26603 1 1587 . 1 1 120 120 THR N N 15 113.49 0.055 . 1 . 1273 . . 118 THR N . 26603 1 1588 . 1 1 121 121 TYR H H 1 7.661 0.014 . 1 . 1283 . . 119 TYR H . 26603 1 1589 . 1 1 121 121 TYR HA H 1 6.151 0.018 . 1 . 1285 . . 119 TYR HA . 26603 1 1590 . 1 1 121 121 TYR HB2 H 1 2.611 0 . 2 . 1287 . . 119 TYR HB2 . 26603 1 1591 . 1 1 121 121 TYR HB3 H 1 2.418 0.02 . 2 . 1288 . . 119 TYR HB3 . 26603 1 1592 . 1 1 121 121 TYR HD1 H 1 6.617 0.025 . 1 . 1292 . . 119 TYR HD1 . 26603 1 1593 . 1 1 121 121 TYR HD2 H 1 6.617 0.025 . 1 . 1292 . . 119 TYR HD2 . 26603 1 1594 . 1 1 121 121 TYR HE1 H 1 6.491 0.019 . 1 . 1290 . . 119 TYR HE1 . 26603 1 1595 . 1 1 121 121 TYR HE2 H 1 6.491 0.019 . 1 . 1290 . . 119 TYR HE2 . 26603 1 1596 . 1 1 121 121 TYR C C 13 173.506 0 . 1 . 1293 . . 119 TYR C . 26603 1 1597 . 1 1 121 121 TYR CA C 13 54.159 0.076 . 1 . 1284 . . 119 TYR CA . 26603 1 1598 . 1 1 121 121 TYR CB C 13 42.757 0.041 . 1 . 1286 . . 119 TYR CB . 26603 1 1599 . 1 1 121 121 TYR CD1 C 13 133.327 0.216 . 1 . 1291 . . 119 TYR CD1 . 26603 1 1600 . 1 1 121 121 TYR CD2 C 13 133.327 0.216 . 1 . 1291 . . 119 TYR CD2 . 26603 1 1601 . 1 1 121 121 TYR CE1 C 13 116.961 0.064 . 1 . 1289 . . 119 TYR CE1 . 26603 1 1602 . 1 1 121 121 TYR CE2 C 13 116.961 0.064 . 1 . 1289 . . 119 TYR CE2 . 26603 1 1603 . 1 1 121 121 TYR N N 15 115.072 0.076 . 1 . 1282 . . 119 TYR N . 26603 1 1604 . 1 1 122 122 ALA H H 1 8.516 0.011 . 1 . 1295 . . 120 ALA H . 26603 1 1605 . 1 1 122 122 ALA HA H 1 4.753 0.01 . 1 . 1297 . . 120 ALA HA . 26603 1 1606 . 1 1 122 122 ALA HB1 H 1 1.527 0.017 . 1 . 1299 . . 120 ALA HB1 . 26603 1 1607 . 1 1 122 122 ALA HB2 H 1 1.527 0.017 . 1 . 1299 . . 120 ALA HB2 . 26603 1 1608 . 1 1 122 122 ALA HB3 H 1 1.527 0.017 . 1 . 1299 . . 120 ALA HB3 . 26603 1 1609 . 1 1 122 122 ALA C C 13 175.65 0 . 1 . 1300 . . 120 ALA C . 26603 1 1610 . 1 1 122 122 ALA CA C 13 50.933 0.016 . 1 . 1296 . . 120 ALA CA . 26603 1 1611 . 1 1 122 122 ALA CB C 13 24.796 0.062 . 1 . 1298 . . 120 ALA CB . 26603 1 1612 . 1 1 122 122 ALA N N 15 120.05 0.09 . 1 . 1294 . . 120 ALA N . 26603 1 1613 . 1 1 123 123 SER H H 1 9.897 0.007 . 1 . 1302 . . 121 SER H . 26603 1 1614 . 1 1 123 123 SER HA H 1 4.751 0.019 . 1 . 1304 . . 121 SER HA . 26603 1 1615 . 1 1 123 123 SER HB2 H 1 4.123 0.007 . 2 . 1306 . . 121 SER HB2 . 26603 1 1616 . 1 1 123 123 SER HB3 H 1 4.094 0.023 . 2 . 1307 . . 121 SER HB3 . 26603 1 1617 . 1 1 123 123 SER C C 13 173.635 0 . 1 . 1308 . . 121 SER C . 26603 1 1618 . 1 1 123 123 SER CA C 13 58.586 0 . 1 . 1303 . . 121 SER CA . 26603 1 1619 . 1 1 123 123 SER CB C 13 64.205 0.002 . 1 . 1305 . . 121 SER CB . 26603 1 1620 . 1 1 123 123 SER N N 15 115.116 0.078 . 1 . 1301 . . 121 SER N . 26603 1 1621 . 1 1 124 124 GLN H H 1 7.501 0.02 . 1 . 1310 . . 122 GLN H . 26603 1 1622 . 1 1 124 124 GLN HA H 1 4.418 0.016 . 1 . 1312 . . 122 GLN HA . 26603 1 1623 . 1 1 124 124 GLN HB2 H 1 1.901 0.008 . 2 . 1314 . . 122 GLN HB2 . 26603 1 1624 . 1 1 124 124 GLN HB3 H 1 1.935 0.025 . 2 . 1315 . . 122 GLN HB3 . 26603 1 1625 . 1 1 124 124 GLN HG2 H 1 1.945 0.015 . 1 . 1709 . . 122 GLN HG2 . 26603 1 1626 . 1 1 124 124 GLN HE21 H 1 6.792 0.003 . 1 . 1378 . . 122 GLN HE21 . 26603 1 1627 . 1 1 124 124 GLN HE22 H 1 7.345 0.01 . 1 . 1380 . . 122 GLN HE22 . 26603 1 1628 . 1 1 124 124 GLN C C 13 174.187 0 . 1 . 1316 . . 122 GLN C . 26603 1 1629 . 1 1 124 124 GLN CA C 13 54.752 0.015 . 1 . 1311 . . 122 GLN CA . 26603 1 1630 . 1 1 124 124 GLN CB C 13 31.257 0.025 . 1 . 1313 . . 122 GLN CB . 26603 1 1631 . 1 1 124 124 GLN CG C 13 33.315 0 . 1 . 1708 . . 122 GLN CG . 26603 1 1632 . 1 1 124 124 GLN N N 15 117.778 0.124 . 1 . 1309 . . 122 GLN N . 26603 1 1633 . 1 1 124 124 GLN NE2 N 15 112.846 0.035 . 1 . 1379 . . 122 GLN NE2 . 26603 1 1634 . 1 1 125 125 GLU H H 1 8.242 0.008 . 1 . 1318 . . 123 GLU H . 26603 1 1635 . 1 1 125 125 GLU HA H 1 3.493 0.008 . 1 . 1320 . . 123 GLU HA . 26603 1 1636 . 1 1 125 125 GLU HB2 H 1 1.541 0.036 . 2 . 1322 . . 123 GLU HB2 . 26603 1 1637 . 1 1 125 125 GLU HB3 H 1 1.531 0.037 . 2 . 1323 . . 123 GLU HB3 . 26603 1 1638 . 1 1 125 125 GLU HG2 H 1 1.729 0.011 . 2 . 1325 . . 123 GLU HG2 . 26603 1 1639 . 1 1 125 125 GLU HG3 H 1 1.731 0.011 . 2 . 1326 . . 123 GLU HG3 . 26603 1 1640 . 1 1 125 125 GLU C C 13 176.105 0 . 1 . 1327 . . 123 GLU C . 26603 1 1641 . 1 1 125 125 GLU CA C 13 57.471 0.071 . 1 . 1319 . . 123 GLU CA . 26603 1 1642 . 1 1 125 125 GLU CB C 13 30.122 0.1 . 1 . 1321 . . 123 GLU CB . 26603 1 1643 . 1 1 125 125 GLU CG C 13 36.393 0.047 . 1 . 1324 . . 123 GLU CG . 26603 1 1644 . 1 1 125 125 GLU N N 15 118.988 0.059 . 1 . 1317 . . 123 GLU N . 26603 1 1645 . 1 1 126 126 THR H H 1 7.247 0.008 . 1 . 1329 . . 124 THR H . 26603 1 1646 . 1 1 126 126 THR HA H 1 4.206 0.009 . 1 . 1331 . . 124 THR HA . 26603 1 1647 . 1 1 126 126 THR HB H 1 4.009 0.003 . 1 . 1333 . . 124 THR HB . 26603 1 1648 . 1 1 126 126 THR HG21 H 1 0.965 0.007 . 1 . 1335 . . 124 THR HG21 . 26603 1 1649 . 1 1 126 126 THR HG22 H 1 0.965 0.007 . 1 . 1335 . . 124 THR HG22 . 26603 1 1650 . 1 1 126 126 THR HG23 H 1 0.965 0.007 . 1 . 1335 . . 124 THR HG23 . 26603 1 1651 . 1 1 126 126 THR C C 13 173.165 0 . 1 . 1336 . . 124 THR C . 26603 1 1652 . 1 1 126 126 THR CA C 13 60.894 0.042 . 1 . 1330 . . 124 THR CA . 26603 1 1653 . 1 1 126 126 THR CB C 13 69.986 0.015 . 1 . 1332 . . 124 THR CB . 26603 1 1654 . 1 1 126 126 THR CG2 C 13 21.434 0.046 . 1 . 1334 . . 124 THR CG2 . 26603 1 1655 . 1 1 126 126 THR N N 15 111.011 0.065 . 1 . 1328 . . 124 THR N . 26603 1 1656 . 1 1 127 127 PHE H H 1 8.29 0.014 . 1 . 1338 . . 125 PHE H . 26603 1 1657 . 1 1 127 127 PHE HA H 1 4.496 0.02 . 1 . 1340 . . 125 PHE HA . 26603 1 1658 . 1 1 127 127 PHE HB2 H 1 3.097 0.006 . 2 . 1342 . . 125 PHE HB2 . 26603 1 1659 . 1 1 127 127 PHE HB3 H 1 2.754 0.003 . 2 . 1343 . . 125 PHE HB3 . 26603 1 1660 . 1 1 127 127 PHE HD1 H 1 6.968 0.011 . 1 . 1344 . . 125 PHE HD1 . 26603 1 1661 . 1 1 127 127 PHE HD2 H 1 6.968 0.011 . 1 . 1344 . . 125 PHE HD2 . 26603 1 1662 . 1 1 127 127 PHE HE1 H 1 6.957 0.004 . 1 . 1346 . . 125 PHE HE1 . 26603 1 1663 . 1 1 127 127 PHE HE2 H 1 6.957 0.004 . 1 . 1346 . . 125 PHE HE2 . 26603 1 1664 . 1 1 127 127 PHE C C 13 175.125 0 . 1 . 1348 . . 125 PHE C . 26603 1 1665 . 1 1 127 127 PHE CA C 13 57.554 0.011 . 1 . 1339 . . 125 PHE CA . 26603 1 1666 . 1 1 127 127 PHE CB C 13 40.202 0.089 . 1 . 1341 . . 125 PHE CB . 26603 1 1667 . 1 1 127 127 PHE CD1 C 13 131.741 0.202 . 1 . 1347 . . 125 PHE CD1 . 26603 1 1668 . 1 1 127 127 PHE CD2 C 13 131.741 0.202 . 1 . 1347 . . 125 PHE CD2 . 26603 1 1669 . 1 1 127 127 PHE CE1 C 13 131.419 0.187 . 1 . 1345 . . 125 PHE CE1 . 26603 1 1670 . 1 1 127 127 PHE CE2 C 13 131.419 0.187 . 1 . 1345 . . 125 PHE CE2 . 26603 1 1671 . 1 1 127 127 PHE N N 15 122.205 0.053 . 1 . 1337 . . 125 PHE N . 26603 1 1672 . 1 1 128 128 GLY H H 1 8.037 0.008 . 1 . 1350 . . 126 GLY H . 26603 1 1673 . 1 1 128 128 GLY HA2 H 1 3.778 0.012 . 2 . 1352 . . 126 GLY HA2 . 26603 1 1674 . 1 1 128 128 GLY HA3 H 1 3.774 0.007 . 2 . 1353 . . 126 GLY HA3 . 26603 1 1675 . 1 1 128 128 GLY CA C 13 46.097 0.003 . 1 . 1351 . . 126 GLY CA . 26603 1 1676 . 1 1 128 128 GLY N N 15 115.995 0.024 . 1 . 1349 . . 126 GLY N . 26603 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_list_1 _Coupling_constant_list.Entry_ID 26603 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 7 '3D HNHA' . . . 26603 1 stop_ loop_ _Coupling_constant_software.Software_ID _Coupling_constant_software.Software_label _Coupling_constant_software.Method_ID _Coupling_constant_software.Method_label _Coupling_constant_software.Entry_ID _Coupling_constant_software.Coupling_constant_list_ID 3 $Analysis . . 26603 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 MET H H 1 . . 1 1 3 3 MET HA H 1 . 7.70978 . . 0.00598 . . . 1 MET H . 1 MET HA . 26603 1 2 3JHNHA . 1 1 7 7 GLN H H 1 . . 1 1 7 7 GLN HA H 1 . 6.97831 . . 0.00513 . . . 5 GLN H . 5 GLN HA . 26603 1 3 3JHNHA . 1 1 8 8 LYS H H 1 . . 1 1 8 8 LYS HA H 1 . 7.12901 . . 0.00647 . . . 6 LYS H . 6 LYS HA . 26603 1 4 3JHNHA . 1 1 9 9 ILE H H 1 . . 1 1 9 9 ILE HA H 1 . 8.07286 . . 0.00564 . . . 7 ILE H . 7 ILE HA . 26603 1 5 3JHNHA . 1 1 11 11 SER H H 1 . . 1 1 11 11 SER HA H 1 . 6.79998 . . 0.00961 . . . 9 SER H . 9 SER HA . 26603 1 6 3JHNHA . 1 1 12 12 VAL H H 1 . . 1 1 12 12 VAL HA H 1 . 7.97641 . . 0.01164 . . . 10 VAL H . 10 VAL HA . 26603 1 7 3JHNHA . 1 1 13 13 ARG H H 1 . . 1 1 13 13 ARG HA H 1 . 6.37873 . . 0.03715 . . . 11 ARG H . 11 ARG HA . 26603 1 8 3JHNHA . 1 1 15 15 PHE H H 1 . . 1 1 15 15 PHE HA H 1 . 6.54165 . . 0.02695 . . . 13 PHE H . 13 PHE HA . 26603 1 9 3JHNHA . 1 1 16 16 LYS H H 1 . . 1 1 16 16 LYS HA H 1 . 7.58999 . . 0.04170 . . . 14 LYS H . 14 LYS HA . 26603 1 10 3JHNHA . 1 1 20 20 SER H H 1 . . 1 1 20 20 SER HA H 1 . 2.87559 . . 0.36243 . . . 18 SER H . 18 SER HA . 26603 1 11 3JHNHA . 1 1 21 21 LEU H H 1 . . 1 1 21 21 LEU HA H 1 . 4.43404 . . 0.67205 . . . 19 LEU H . 19 LEU HA . 26603 1 12 3JHNHA . 1 1 23 23 ILE H H 1 . . 1 1 23 23 ILE HA H 1 . 4.68376 . . 0.47338 . . . 21 ILE H . 21 ILE HA . 26603 1 13 3JHNHA . 1 1 26 26 GLU H H 1 . . 1 1 26 26 GLU HA H 1 . 7.12064 . . 0.24928 . . . 24 GLU H . 24 GLU HA . 26603 1 14 3JHNHA . 1 1 27 27 GLU H H 1 . . 1 1 27 27 GLU HA H 1 . 4.40018 . . 0.12103 . . . 25 GLU H . 25 GLU HA . 26603 1 15 3JHNHA . 1 1 28 28 VAL H H 1 . . 1 1 28 28 VAL HA H 1 . 4.34886 . . 0.12653 . . . 26 VAL H . 26 VAL HA . 26603 1 16 3JHNHA . 1 1 29 29 ALA H H 1 . . 1 1 29 29 ALA HA H 1 . 4.42073 . . 0.24299 . . . 27 ALA H . 27 ALA HA . 26603 1 17 3JHNHA . 1 1 31 31 ILE H H 1 . . 1 1 31 31 ILE HA H 1 . 5.38398 . . 0.22278 . . . 29 ILE H . 29 ILE HA . 26603 1 18 3JHNHA . 1 1 32 32 ARG H H 1 . . 1 1 32 32 ARG HA H 1 . 4.09845 . . 0.54333 . . . 30 ARG H . 30 ARG HA . 26603 1 19 3JHNHA . 1 1 33 33 ALA H H 1 . . 1 1 33 33 ALA HA H 1 . 5.99554 . . 0.55006 . . . 31 ALA H . 31 ALA HA . 26603 1 20 3JHNHA . 1 1 34 34 LYS H H 1 . . 1 1 34 34 LYS HA H 1 . 8.92207 . . 0.55160 . . . 32 LYS H . 32 LYS HA . 26603 1 21 3JHNHA . 1 1 35 35 PHE H H 1 . . 1 1 35 35 PHE HA H 1 . 9.49591 . . 0.22627 . . . 33 PHE H . 33 PHE HA . 26603 1 22 3JHNHA . 1 1 37 37 ASN H H 1 . . 1 1 37 37 ASN HA H 1 . 8.31694 . . 0.10311 . . . 35 ASN H . 35 ASN HA . 26603 1 23 3JHNHA . 1 1 38 38 LYS H H 1 . . 1 1 38 38 LYS HA H 1 . 8.45619 . . 0.07702 . . . 36 LYS H . 36 LYS HA . 26603 1 24 3JHNHA . 1 1 39 39 ILE H H 1 . . 1 1 39 39 ILE HA H 1 . 7.90252 . . 0.27512 . . . 37 ILE H . 37 ILE HA . 26603 1 25 3JHNHA . 1 1 41 41 VAL H H 1 . . 1 1 41 41 VAL HA H 1 . 8.78239 . . 0.16124 . . . 39 VAL H . 39 VAL HA . 26603 1 26 3JHNHA . 1 1 42 42 VAL H H 1 . . 1 1 42 42 VAL HA H 1 . 8.10479 . . 0.30634 . . . 40 VAL H . 40 VAL HA . 26603 1 27 3JHNHA . 1 1 43 43 VAL H H 1 . . 1 1 43 43 VAL HA H 1 . 9.03158 . . 0.28743 . . . 41 VAL H . 41 VAL HA . 26603 1 28 3JHNHA . 1 1 44 44 GLU H H 1 . . 1 1 44 44 GLU HA H 1 . 3.20899 . . 0.15213 . . . 42 GLU H . 42 GLU HA . 26603 1 29 3JHNHA . 1 1 45 45 ARG H H 1 . . 1 1 45 45 ARG HA H 1 . 6.77892 . . 0.20388 . . . 43 ARG H . 43 ARG HA . 26603 1 30 3JHNHA . 1 1 49 49 GLU H H 1 . . 1 1 49 49 GLU HA H 1 . 6.31099 . . 0.26474 . . . 47 GLU H . 47 GLU HA . 26603 1 31 3JHNHA . 1 1 51 51 PHE H H 1 . . 1 1 51 51 PHE HA H 1 . 3.35101 . . 0.16169 . . . 49 PHE H . 49 PHE HA . 26603 1 32 3JHNHA . 1 1 55 55 LEU H H 1 . . 1 1 55 55 LEU HA H 1 . 7.36957 . . 0.44581 . . . 53 LEU H . 53 LEU HA . 26603 1 33 3JHNHA . 1 1 56 56 ASP H H 1 . . 1 1 56 56 ASP HA H 1 . 3.07614 . . 0.16475 . . . 54 ASP H . 54 ASP HA . 26603 1 34 3JHNHA . 1 1 57 57 LYS H H 1 . . 1 1 57 57 LYS HA H 1 . 8.78711 . . 0.44819 . . . 55 LYS H . 55 LYS HA . 26603 1 35 3JHNHA . 1 1 58 58 THR H H 1 . . 1 1 58 58 THR HA H 1 . 10.16224 . . 0.53801 . . . 56 THR H . 56 THR HA . 26603 1 36 3JHNHA . 1 1 59 59 LYS H H 1 . . 1 1 59 59 LYS HA H 1 . 7.65241 . . 0.56146 . . . 57 LYS H . 57 LYS HA . 26603 1 37 3JHNHA . 1 1 60 60 PHE H H 1 . . 1 1 60 60 PHE HA H 1 . 9.66494 . . 0.24242 . . . 58 PHE H . 58 PHE HA . 26603 1 38 3JHNHA . 1 1 61 61 LEU H H 1 . . 1 1 61 61 LEU HA H 1 . 8.25092 . . 0.09527 . . . 59 LEU H . 59 LEU HA . 26603 1 39 3JHNHA . 1 1 62 62 VAL H H 1 . . 1 1 62 62 VAL HA H 1 . 6.88220 . . 0.14115 . . . 60 VAL H . 60 VAL HA . 26603 1 40 3JHNHA . 1 1 65 65 GLU H H 1 . . 1 1 65 65 GLU HA H 1 . 6.16286 . . 0.09620 . . . 63 GLU H . 63 GLU HA . 26603 1 41 3JHNHA . 1 1 66 66 LEU H H 1 . . 1 1 66 66 LEU HA H 1 . 6.62966 . . 0.10215 . . . 64 LEU H . 64 LEU HA . 26603 1 42 3JHNHA . 1 1 67 67 THR H H 1 . . 1 1 67 67 THR HA H 1 . 7.21782 . . 0.16407 . . . 65 THR H . 65 THR HA . 26603 1 43 3JHNHA . 1 1 69 69 THR H H 1 . . 1 1 69 69 THR HA H 1 . 3.15608 . . 0.18005 . . . 67 THR H . 67 THR HA . 26603 1 44 3JHNHA . 1 1 70 70 GLN H H 1 . . 1 1 70 70 GLN HA H 1 . 6.14109 . . 0.23987 . . . 68 GLN H . 68 GLN HA . 26603 1 45 3JHNHA . 1 1 71 71 PHE H H 1 . . 1 1 71 71 PHE HA H 1 . 4.31055 . . 0.30925 . . . 69 PHE H . 69 PHE HA . 26603 1 46 3JHNHA . 1 1 72 72 LEU H H 1 . . 1 1 72 72 LEU HA H 1 . 3.69640 . . 0.23269 . . . 70 LEU H . 70 LEU HA . 26603 1 47 3JHNHA . 1 1 73 73 SER H H 1 . . 1 1 73 73 SER HA H 1 . 3.92520 . . 0.10757 . . . 71 SER H . 71 SER HA . 26603 1 48 3JHNHA . 1 1 74 74 ILE H H 1 . . 1 1 74 74 ILE HA H 1 . 4.67319 . . 0.19256 . . . 72 ILE H . 72 ILE HA . 26603 1 49 3JHNHA . 1 1 75 75 ILE H H 1 . . 1 1 75 75 ILE HA H 1 . 4.40367 . . 0.31618 . . . 73 ILE H . 73 ILE HA . 26603 1 50 3JHNHA . 1 1 77 77 SER H H 1 . . 1 1 77 77 SER HA H 1 . 2.58123 . . 0.26719 . . . 75 SER H . 75 SER HA . 26603 1 51 3JHNHA . 1 1 78 78 ARG H H 1 . . 1 1 78 78 ARG HA H 1 . 5.01614 . . 0.26217 . . . 76 ARG H . 76 ARG HA . 26603 1 52 3JHNHA . 1 1 80 80 VAL H H 1 . . 1 1 80 80 VAL HA H 1 . 6.83316 . . 0.31910 . . . 78 VAL H . 78 VAL HA . 26603 1 53 3JHNHA . 1 1 81 81 LEU H H 1 . . 1 1 81 81 LEU HA H 1 . 5.68892 . . 0.15605 . . . 79 LEU H . 79 LEU HA . 26603 1 54 3JHNHA . 1 1 82 82 ARG H H 1 . . 1 1 82 82 ARG HA H 1 . 6.55852 . . 0.43094 . . . 80 ARG H . 80 ARG HA . 26603 1 55 3JHNHA . 1 1 83 83 ALA H H 1 . . 1 1 83 83 ALA HA H 1 . 3.46206 . . 0.32505 . . . 81 ALA H . 81 ALA HA . 26603 1 56 3JHNHA . 1 1 84 84 THR H H 1 . . 1 1 84 84 THR HA H 1 . 8.27897 . . 0.25272 . . . 82 THR H . 82 THR HA . 26603 1 57 3JHNHA . 1 1 85 85 GLU H H 1 . . 1 1 85 85 GLU HA H 1 . 6.80042 . . 0.44967 . . . 83 GLU H . 83 GLU HA . 26603 1 58 3JHNHA . 1 1 86 86 ALA H H 1 . . 1 1 86 86 ALA HA H 1 . 4.24680 . . 0.15965 . . . 84 ALA H . 84 ALA HA . 26603 1 59 3JHNHA . 1 1 87 87 PHE H H 1 . . 1 1 87 87 PHE HA H 1 . 6.64362 . . 0.20578 . . . 85 PHE H . 85 PHE HA . 26603 1 60 3JHNHA . 1 1 88 88 TYR H H 1 . . 1 1 88 88 TYR HA H 1 . 9.99186 . . 0.78364 . . . 86 TYR H . 86 TYR HA . 26603 1 61 3JHNHA . 1 1 89 89 LEU H H 1 . . 1 1 89 89 LEU HA H 1 . 9.71945 . . 0.21656 . . . 87 LEU H . 87 LEU HA . 26603 1 62 3JHNHA . 1 1 90 90 LEU H H 1 . . 1 1 90 90 LEU HA H 1 . 8.59351 . . 0.22483 . . . 88 LEU H . 88 LEU HA . 26603 1 63 3JHNHA . 1 1 91 91 VAL H H 1 . . 1 1 91 91 VAL HA H 1 . 9.50774 . . 0.30417 . . . 89 VAL H . 89 VAL HA . 26603 1 64 3JHNHA . 1 1 92 92 ASN H H 1 . . 1 1 92 92 ASN HA H 1 . 6.79956 . . 0.34858 . . . 90 ASN H . 90 ASN HA . 26603 1 65 3JHNHA . 1 1 93 93 ASN H H 1 . . 1 1 93 93 ASN HA H 1 . 7.95093 . . 0.31384 . . . 91 ASN H . 91 ASN HA . 26603 1 66 3JHNHA . 1 1 94 94 LYS H H 1 . . 1 1 94 94 LYS HA H 1 . 8.95167 . . 0.10718 . . . 92 LYS H . 92 LYS HA . 26603 1 67 3JHNHA . 1 1 95 95 SER H H 1 . . 1 1 95 95 SER HA H 1 . 6.50218 . . 0.18164 . . . 93 SER H . 93 SER HA . 26603 1 68 3JHNHA . 1 1 96 96 LEU H H 1 . . 1 1 96 96 LEU HA H 1 . 5.83550 . . 0.34744 . . . 94 LEU H . 94 LEU HA . 26603 1 69 3JHNHA . 1 1 97 97 VAL H H 1 . . 1 1 97 97 VAL HA H 1 . 6.42591 . . 0.07621 . . . 95 VAL H . 95 VAL HA . 26603 1 70 3JHNHA . 1 1 98 98 SER H H 1 . . 1 1 98 98 SER HA H 1 . 3.40102 . . 0.54842 . . . 96 SER H . 96 SER HA . 26603 1 71 3JHNHA . 1 1 99 99 MET H H 1 . . 1 1 99 99 MET HA H 1 . 4.69323 . . 0.17891 . . . 97 MET H . 97 MET HA . 26603 1 72 3JHNHA . 1 1 100 100 SER H H 1 . . 1 1 100 100 SER HA H 1 . 8.54579 . . 0.08560 . . . 98 SER H . 98 SER HA . 26603 1 73 3JHNHA . 1 1 101 101 ALA H H 1 . . 1 1 101 101 ALA HA H 1 . 4.44597 . . 0.28327 . . . 99 ALA H . 99 ALA HA . 26603 1 74 3JHNHA . 1 1 102 102 THR H H 1 . . 1 1 102 102 THR HA H 1 . 7.69904 . . 0.11933 . . . 100 THR H . 100 THR HA . 26603 1 75 3JHNHA . 1 1 103 103 MET H H 1 . . 1 1 103 103 MET HA H 1 . 4.08859 . . 0.41445 . . . 101 MET H . 101 MET HA . 26603 1 76 3JHNHA . 1 1 104 104 ALA H H 1 . . 1 1 104 104 ALA HA H 1 . 2.53940 . . 0.28493 . . . 102 ALA H . 102 ALA HA . 26603 1 77 3JHNHA . 1 1 105 105 GLU H H 1 . . 1 1 105 105 GLU HA H 1 . 6.15108 . . 0.18734 . . . 103 GLU H . 103 GLU HA . 26603 1 78 3JHNHA . 1 1 106 106 ILE H H 1 . . 1 1 106 106 ILE HA H 1 . 4.57989 . . 0.13345 . . . 104 ILE H . 104 ILE HA . 26603 1 79 3JHNHA . 1 1 107 107 TYR H H 1 . . 1 1 107 107 TYR HA H 1 . 3.71372 . . 0.30881 . . . 105 TYR H . 105 TYR HA . 26603 1 80 3JHNHA . 1 1 108 108 ARG H H 1 . . 1 1 108 108 ARG HA H 1 . 3.90725 . . 0.30957 . . . 106 ARG H . 106 ARG HA . 26603 1 81 3JHNHA . 1 1 109 109 ASP H H 1 . . 1 1 109 109 ASP HA H 1 . 7.09873 . . 0.16632 . . . 107 ASP H . 107 ASP HA . 26603 1 82 3JHNHA . 1 1 110 110 TYR H H 1 . . 1 1 110 110 TYR HA H 1 . 9.54694 . . 0.08640 . . . 108 TYR H . 108 TYR HA . 26603 1 83 3JHNHA . 1 1 111 111 LYS H H 1 . . 1 1 111 111 LYS HA H 1 . 3.12911 . . 0.22933 . . . 109 LYS H . 109 LYS HA . 26603 1 84 3JHNHA . 1 1 112 112 ASP H H 1 . . 1 1 112 112 ASP HA H 1 . 6.76595 . . 0.29024 . . . 110 ASP H . 110 ASP HA . 26603 1 85 3JHNHA . 1 1 113 113 GLU H H 1 . . 1 1 113 113 GLU HA H 1 . 3.12011 . . 0.16544 . . . 111 GLU H . 111 GLU HA . 26603 1 86 3JHNHA . 1 1 117 117 VAL H H 1 . . 1 1 117 117 VAL HA H 1 . 9.57620 . . 0.16794 . . . 115 VAL H . 115 VAL HA . 26603 1 87 3JHNHA . 1 1 118 118 TYR H H 1 . . 1 1 118 118 TYR HA H 1 . 8.59202 . . 0.42580 . . . 116 TYR H . 116 TYR HA . 26603 1 88 3JHNHA . 1 1 119 119 MET H H 1 . . 1 1 119 119 MET HA H 1 . 8.58849 . . 0.33981 . . . 117 MET H . 117 MET HA . 26603 1 89 3JHNHA . 1 1 120 120 THR H H 1 . . 1 1 120 120 THR HA H 1 . 8.17245 . . 0.24250 . . . 118 THR H . 118 THR HA . 26603 1 90 3JHNHA . 1 1 121 121 TYR H H 1 . . 1 1 121 121 TYR HA H 1 . 6.81890 . . 0.41985 . . . 119 TYR H . 119 TYR HA . 26603 1 91 3JHNHA . 1 1 122 122 ALA H H 1 . . 1 1 122 122 ALA HA H 1 . 8.64737 . . 0.67316 . . . 120 ALA H . 120 ALA HA . 26603 1 92 3JHNHA . 1 1 125 125 GLU H H 1 . . 1 1 125 125 GLU HA H 1 . 5.95231 . . 0.34834 . . . 123 GLU H . 123 GLU HA . 26603 1 93 3JHNHA . 1 1 126 126 THR H H 1 . . 1 1 126 126 THR HA H 1 . 7.89519 . . 0.15441 . . . 124 THR H . 124 THR HA . 26603 1 94 3JHNHA . 1 1 127 127 PHE H H 1 . . 1 1 127 127 PHE HA H 1 . 4.11771 . . 0.11586 . . . 125 PHE H . 125 PHE HA . 26603 1 stop_ save_