data_25798 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25798 _Entry.Title ; NMR structure of human I-type lectin domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-07 _Entry.Accession_date 2015-09-27 _Entry.Last_release_date 2016-07-05 _Entry.Original_release_date 2016-07-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _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 Johannes Proepster . M. . . 25798 2 Fan Yang . . . . 25798 3 Said Rabbani . . . . 25798 4 Beat Ernst . . . . 25798 5 Frederic Allain . H.-T. . . 25798 6 Mario Schubert . . . . 25798 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25798 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'I-type lectin' . 25798 SAF-2 . 25798 'Sialic acid-binding immunoglobulin-like lectin 8' . 25798 Siglec8 . 25798 'carbohydrate-binding receptor' . 25798 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25798 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 620 25798 '15N chemical shifts' 158 25798 '1H chemical shifts' 1000 25798 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 . . 2016-07-22 2015-09-07 update BMRB 'update entry citation' 25798 1 . . 2016-07-05 2015-09-07 original author 'original release' 25798 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25799 'Structural basis of human Siglec-8-carbohydrate recognition' 25798 PDB 2N7A 'BMRB Entry Tracking System' 25798 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25798 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27357658 _Citation.Full_citation . _Citation.Title ; Structural basis for sulfation-dependent self-glycan recognition by the human immune-inhibitory receptor Siglec-8 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 113 _Citation.Journal_issue 29 _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 4170 _Citation.Page_last 4179 _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 Johannes Proepster . M. . . 25798 1 2 Fan Yang . . . . 25798 1 3 Said Rabbani . . . . 25798 1 4 Beat Ernst . . . . 25798 1 5 Frederic Allain . H.-T. . . 25798 1 6 Mario Schubert . . . . 25798 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25798 _Assembly.ID 1 _Assembly.Name 'human Siglec-8' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $Siglec-8 A . yes native no no . . . 25798 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 entity_1 1 CYS 31 31 SG . 1 entity_1 1 CYS 91 91 SG . . 31 CYS . . . 91 CYS . 25798 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 31 31 HG . 31 . . 25798 1 2 . 1 1 CYS 91 91 HG . 91 . . 25798 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Siglec-8 _Entity.Sf_category entity _Entity.Sf_framecode Siglec-8 _Entity.Entry_ID 25798 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Siglec-8 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEGDRQYGDGYLLQVQELVT VQEGLSVHVPCSFSYPQDGW TDSDPVHGYWFRAGDRPYQD APVATNNPDREVQAETQGRF QLLGDIWSNDCSLSIRDARK RDKGSYFFRLERGSMKWSYK SQLNYKTKQLSVFVTALTHG SLVPR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'numbering corresponds to mature protein sequence' _Entity.Polymer_author_seq_details ; Construct includes Siglec-8 residues M1-H139 (carrying a C26S point mutation to enable soluble expression; numbering corresponds to mature protein), followed by six non-native C-terminal residues G140-R145 (remainder of the thrombin cleavage site after affinity-tag removal) ; _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'N-terminal lectin domain' _Entity.Mutation C26S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16665.598 _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 NCBI NM_014442.2 . 'human Siglec-8' . . . . . . . . . . . . . . 25798 1 2 yes GB BC053319.1 . 'human Siglec-8' . . . . . . . . . . . . . . 25798 1 3 yes UniProt Q9NYZ4 . SIGL8_HUMAN . . . . . . . . . . . . . . 25798 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 MET . 25798 1 2 2 GLU . 25798 1 3 3 GLY . 25798 1 4 4 ASP . 25798 1 5 5 ARG . 25798 1 6 6 GLN . 25798 1 7 7 TYR . 25798 1 8 8 GLY . 25798 1 9 9 ASP . 25798 1 10 10 GLY . 25798 1 11 11 TYR . 25798 1 12 12 LEU . 25798 1 13 13 LEU . 25798 1 14 14 GLN . 25798 1 15 15 VAL . 25798 1 16 16 GLN . 25798 1 17 17 GLU . 25798 1 18 18 LEU . 25798 1 19 19 VAL . 25798 1 20 20 THR . 25798 1 21 21 VAL . 25798 1 22 22 GLN . 25798 1 23 23 GLU . 25798 1 24 24 GLY . 25798 1 25 25 LEU . 25798 1 26 26 SER . 25798 1 27 27 VAL . 25798 1 28 28 HIS . 25798 1 29 29 VAL . 25798 1 30 30 PRO . 25798 1 31 31 CYS . 25798 1 32 32 SER . 25798 1 33 33 PHE . 25798 1 34 34 SER . 25798 1 35 35 TYR . 25798 1 36 36 PRO . 25798 1 37 37 GLN . 25798 1 38 38 ASP . 25798 1 39 39 GLY . 25798 1 40 40 TRP . 25798 1 41 41 THR . 25798 1 42 42 ASP . 25798 1 43 43 SER . 25798 1 44 44 ASP . 25798 1 45 45 PRO . 25798 1 46 46 VAL . 25798 1 47 47 HIS . 25798 1 48 48 GLY . 25798 1 49 49 TYR . 25798 1 50 50 TRP . 25798 1 51 51 PHE . 25798 1 52 52 ARG . 25798 1 53 53 ALA . 25798 1 54 54 GLY . 25798 1 55 55 ASP . 25798 1 56 56 ARG . 25798 1 57 57 PRO . 25798 1 58 58 TYR . 25798 1 59 59 GLN . 25798 1 60 60 ASP . 25798 1 61 61 ALA . 25798 1 62 62 PRO . 25798 1 63 63 VAL . 25798 1 64 64 ALA . 25798 1 65 65 THR . 25798 1 66 66 ASN . 25798 1 67 67 ASN . 25798 1 68 68 PRO . 25798 1 69 69 ASP . 25798 1 70 70 ARG . 25798 1 71 71 GLU . 25798 1 72 72 VAL . 25798 1 73 73 GLN . 25798 1 74 74 ALA . 25798 1 75 75 GLU . 25798 1 76 76 THR . 25798 1 77 77 GLN . 25798 1 78 78 GLY . 25798 1 79 79 ARG . 25798 1 80 80 PHE . 25798 1 81 81 GLN . 25798 1 82 82 LEU . 25798 1 83 83 LEU . 25798 1 84 84 GLY . 25798 1 85 85 ASP . 25798 1 86 86 ILE . 25798 1 87 87 TRP . 25798 1 88 88 SER . 25798 1 89 89 ASN . 25798 1 90 90 ASP . 25798 1 91 91 CYS . 25798 1 92 92 SER . 25798 1 93 93 LEU . 25798 1 94 94 SER . 25798 1 95 95 ILE . 25798 1 96 96 ARG . 25798 1 97 97 ASP . 25798 1 98 98 ALA . 25798 1 99 99 ARG . 25798 1 100 100 LYS . 25798 1 101 101 ARG . 25798 1 102 102 ASP . 25798 1 103 103 LYS . 25798 1 104 104 GLY . 25798 1 105 105 SER . 25798 1 106 106 TYR . 25798 1 107 107 PHE . 25798 1 108 108 PHE . 25798 1 109 109 ARG . 25798 1 110 110 LEU . 25798 1 111 111 GLU . 25798 1 112 112 ARG . 25798 1 113 113 GLY . 25798 1 114 114 SER . 25798 1 115 115 MET . 25798 1 116 116 LYS . 25798 1 117 117 TRP . 25798 1 118 118 SER . 25798 1 119 119 TYR . 25798 1 120 120 LYS . 25798 1 121 121 SER . 25798 1 122 122 GLN . 25798 1 123 123 LEU . 25798 1 124 124 ASN . 25798 1 125 125 TYR . 25798 1 126 126 LYS . 25798 1 127 127 THR . 25798 1 128 128 LYS . 25798 1 129 129 GLN . 25798 1 130 130 LEU . 25798 1 131 131 SER . 25798 1 132 132 VAL . 25798 1 133 133 PHE . 25798 1 134 134 VAL . 25798 1 135 135 THR . 25798 1 136 136 ALA . 25798 1 137 137 LEU . 25798 1 138 138 THR . 25798 1 139 139 HIS . 25798 1 140 140 GLY . 25798 1 141 141 SER . 25798 1 142 142 LEU . 25798 1 143 143 VAL . 25798 1 144 144 PRO . 25798 1 145 145 ARG . 25798 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25798 1 . GLU 2 2 25798 1 . GLY 3 3 25798 1 . ASP 4 4 25798 1 . ARG 5 5 25798 1 . GLN 6 6 25798 1 . TYR 7 7 25798 1 . GLY 8 8 25798 1 . ASP 9 9 25798 1 . GLY 10 10 25798 1 . TYR 11 11 25798 1 . LEU 12 12 25798 1 . LEU 13 13 25798 1 . GLN 14 14 25798 1 . VAL 15 15 25798 1 . GLN 16 16 25798 1 . GLU 17 17 25798 1 . LEU 18 18 25798 1 . VAL 19 19 25798 1 . THR 20 20 25798 1 . VAL 21 21 25798 1 . GLN 22 22 25798 1 . GLU 23 23 25798 1 . GLY 24 24 25798 1 . LEU 25 25 25798 1 . SER 26 26 25798 1 . VAL 27 27 25798 1 . HIS 28 28 25798 1 . VAL 29 29 25798 1 . PRO 30 30 25798 1 . CYS 31 31 25798 1 . SER 32 32 25798 1 . PHE 33 33 25798 1 . SER 34 34 25798 1 . TYR 35 35 25798 1 . PRO 36 36 25798 1 . GLN 37 37 25798 1 . ASP 38 38 25798 1 . GLY 39 39 25798 1 . TRP 40 40 25798 1 . THR 41 41 25798 1 . ASP 42 42 25798 1 . SER 43 43 25798 1 . ASP 44 44 25798 1 . PRO 45 45 25798 1 . VAL 46 46 25798 1 . HIS 47 47 25798 1 . GLY 48 48 25798 1 . TYR 49 49 25798 1 . TRP 50 50 25798 1 . PHE 51 51 25798 1 . ARG 52 52 25798 1 . ALA 53 53 25798 1 . GLY 54 54 25798 1 . ASP 55 55 25798 1 . ARG 56 56 25798 1 . PRO 57 57 25798 1 . TYR 58 58 25798 1 . GLN 59 59 25798 1 . ASP 60 60 25798 1 . ALA 61 61 25798 1 . PRO 62 62 25798 1 . VAL 63 63 25798 1 . ALA 64 64 25798 1 . THR 65 65 25798 1 . ASN 66 66 25798 1 . ASN 67 67 25798 1 . PRO 68 68 25798 1 . ASP 69 69 25798 1 . ARG 70 70 25798 1 . GLU 71 71 25798 1 . VAL 72 72 25798 1 . GLN 73 73 25798 1 . ALA 74 74 25798 1 . GLU 75 75 25798 1 . THR 76 76 25798 1 . GLN 77 77 25798 1 . GLY 78 78 25798 1 . ARG 79 79 25798 1 . PHE 80 80 25798 1 . GLN 81 81 25798 1 . LEU 82 82 25798 1 . LEU 83 83 25798 1 . GLY 84 84 25798 1 . ASP 85 85 25798 1 . ILE 86 86 25798 1 . TRP 87 87 25798 1 . SER 88 88 25798 1 . ASN 89 89 25798 1 . ASP 90 90 25798 1 . CYS 91 91 25798 1 . SER 92 92 25798 1 . LEU 93 93 25798 1 . SER 94 94 25798 1 . ILE 95 95 25798 1 . ARG 96 96 25798 1 . ASP 97 97 25798 1 . ALA 98 98 25798 1 . ARG 99 99 25798 1 . LYS 100 100 25798 1 . ARG 101 101 25798 1 . ASP 102 102 25798 1 . LYS 103 103 25798 1 . GLY 104 104 25798 1 . SER 105 105 25798 1 . TYR 106 106 25798 1 . PHE 107 107 25798 1 . PHE 108 108 25798 1 . ARG 109 109 25798 1 . LEU 110 110 25798 1 . GLU 111 111 25798 1 . ARG 112 112 25798 1 . GLY 113 113 25798 1 . SER 114 114 25798 1 . MET 115 115 25798 1 . LYS 116 116 25798 1 . TRP 117 117 25798 1 . SER 118 118 25798 1 . TYR 119 119 25798 1 . LYS 120 120 25798 1 . SER 121 121 25798 1 . GLN 122 122 25798 1 . LEU 123 123 25798 1 . ASN 124 124 25798 1 . TYR 125 125 25798 1 . LYS 126 126 25798 1 . THR 127 127 25798 1 . LYS 128 128 25798 1 . GLN 129 129 25798 1 . LEU 130 130 25798 1 . SER 131 131 25798 1 . VAL 132 132 25798 1 . PHE 133 133 25798 1 . VAL 134 134 25798 1 . THR 135 135 25798 1 . ALA 136 136 25798 1 . LEU 137 137 25798 1 . THR 138 138 25798 1 . HIS 139 139 25798 1 . GLY 140 140 25798 1 . SER 141 141 25798 1 . LEU 142 142 25798 1 . VAL 143 143 25798 1 . PRO 144 144 25798 1 . ARG 145 145 25798 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 25798 _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 $Siglec-8 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . SIGLEC8 'Full-lenght cDNA clone: IRAUp969G05104D(imaGenes GmbH, Germany);' 25798 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 25798 _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 $Siglec-8 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli 'Rosetta-gami B (DE3)' . . . . . pET-43.1a . . ; Insert encoding for Siglec-8 lectin domain including residues M1-H139 (carrying C26S point mutation). Construct design described in: Proepster, J.M., et al, Protein Expr. Purif. 2015, 109C: 14-22 ; 25798 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25798 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Siglec-8 '[U-100% 15N]' . . 1 $Siglec-8 . protein . 0.3 1.2 mM . . . . 25798 1 2 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 25798 1 3 'sodium chloride' 'natural abundance' . . . . . salt 40 . . mM . . . . 25798 1 4 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25798 1 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25798 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25798 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Siglec-8 '[U-100% 13C; U-100% 15N]' . . 1 $Siglec-8 . protein . 0.3 1.2 mM . . . . 25798 2 2 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 25798 2 3 'sodium chloride' 'natural abundance' . . . . . salt 40 . . mM . . . . 25798 2 4 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25798 2 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25798 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25798 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Siglec-8 '[U-10% 13C; U-100% 15N]' . . 1 $Siglec-8 . protein 0.3 . . mM . . . . 25798 3 2 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 25798 3 3 'sodium chloride' 'natural abundance' . . . . . salt 40 . . mM . . . . 25798 3 4 D2O [U-2H] . . . . . solvent 5 . . % . . . . 25798 3 5 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 25798 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25798 _Sample.ID 4 _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 Siglec-8 '[U-100% 13C; U-100% 15N]' . . 1 $Siglec-8 . protein . 0.3 1.2 mM . . . . 25798 4 2 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 25798 4 3 'sodium chloride' 'natural abundance' . . . . . salt 40 . . mM . . . . 25798 4 4 D2O [U-2H] . . . . . solvent 100 . . % . . . . 25798 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 25798 _Sample.ID 5 _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 Siglec-8 '[U-100% 15N]' . . 1 $Siglec-8 . protein . 0.3 1.2 mM . . . . 25798 5 2 'potassium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 25798 5 3 'sodium chloride' 'natural abundance' . . . . . salt 40 . . mM . . . . 25798 5 4 D2O [U-2H] . . . . . solvent 100 . . % . . . . 25798 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 25798 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.085 . M 25798 1 pH 7.0 . pH 25798 1 pressure 1 . atm 25798 1 temperature 293 . K 25798 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25798 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25798 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25798 1 'data analysis' 25798 1 processing 25798 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25798 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25798 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25798 2 'data analysis' 25798 2 stop_ save_ save_ATNOS-CANDID _Software.Sf_category software _Software.Sf_framecode ATNOS-CANDID _Software.Entry_ID 25798 _Software.ID 3 _Software.Name ATNOS/CANDID _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 25798 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 25798 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25798 _Software.ID 4 _Software.Name CYANA _Software.Version 3.0 _Software.Details 'simulated annealing and automated NOE assignment' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25798 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 25798 4 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 25798 _Software.ID 5 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25798 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'protein backbone torsion angle prediction from NMR chemical shifts' 25798 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 25798 _Software.ID 6 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 25798 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID validation 25798 6 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 25798 _Software.ID 7 _Software.Name AMBER _Software.Version 12 _Software.Details 'force-field ff12SB' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 25798 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25798 7 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 25798 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25798 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 25798 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 25798 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 25798 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 25798 _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 . 500 . . . 25798 1 2 spectrometer_2 Bruker Avance . 600 . . . 25798 1 3 spectrometer_3 Bruker Avance . 700 . . . 25798 1 4 spectrometer_4 Bruker Avance . 750 . . . 25798 1 5 spectrometer_5 Bruker Avance . 900 . . . 25798 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 25798 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25798 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25798 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25798 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25798 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25798 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25798 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25798 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25798 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25798 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25798 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25798 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25798 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 25798 1 14 '2D 1H-1H TOCSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 25798 1 15 '2D 1H-13C constant-time HSQC to obtain stereospecific assignments of Val/Leu methyls' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 25798 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 25798 _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 . . . . . 25798 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25798 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25798 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 25798 _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 _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 10 '3D 1H-15N NOESY' 2 $sample_2 isotropic 25798 1 12 '3D 1H-13C NOESY aliphatic' 2 $sample_2 isotropic 25798 1 13 '3D 1H-13C NOESY aromatic' 2 $sample_2 isotropic 25798 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.062 0.02 . 1 . . . A 1 MET HA . 25798 1 2 . 1 1 1 1 MET HG2 H 1 2.63 0.02 . 1 . . . A 1 MET HG2 . 25798 1 3 . 1 1 1 1 MET HG3 H 1 2.63 0.02 . 1 . . . A 1 MET HG3 . 25798 1 4 . 1 1 1 1 MET HE1 H 1 2.127 0.02 . 1 . . . A 1 MET HE1 . 25798 1 5 . 1 1 1 1 MET HE2 H 1 2.127 0.02 . 1 . . . A 1 MET HE2 . 25798 1 6 . 1 1 1 1 MET HE3 H 1 2.127 0.02 . 1 . . . A 1 MET HE3 . 25798 1 7 . 1 1 1 1 MET CA C 13 55.223 0.4 . 1 . . . A 1 MET CA . 25798 1 8 . 1 1 1 1 MET CG C 13 31.107 0.4 . 1 . . . A 1 MET CG . 25798 1 9 . 1 1 1 1 MET CE C 13 16.873 0.4 . 1 . . . A 1 MET CE . 25798 1 10 . 1 1 2 2 GLU HA H 1 4.291 0.02 . 1 . . . A 2 GLU HA . 25798 1 11 . 1 1 2 2 GLU HB2 H 1 2.049 0.02 . 2 . . . A 2 GLU HB2 . 25798 1 12 . 1 1 2 2 GLU HB3 H 1 1.991 0.02 . 2 . . . A 2 GLU HB3 . 25798 1 13 . 1 1 2 2 GLU HG2 H 1 2.303 0.02 . 1 . . . A 2 GLU HG2 . 25798 1 14 . 1 1 2 2 GLU HG3 H 1 2.303 0.02 . 1 . . . A 2 GLU HG3 . 25798 1 15 . 1 1 2 2 GLU C C 13 176.822 0.4 . 1 . . . A 2 GLU C . 25798 1 16 . 1 1 2 2 GLU CA C 13 57.234 0.4 . 1 . . . A 2 GLU CA . 25798 1 17 . 1 1 2 2 GLU CB C 13 29.992 0.4 . 1 . . . A 2 GLU CB . 25798 1 18 . 1 1 2 2 GLU CG C 13 36.154 0.4 . 1 . . . A 2 GLU CG . 25798 1 19 . 1 1 3 3 GLY H H 1 8.681 0.02 . 1 . . . A 3 GLY H . 25798 1 20 . 1 1 3 3 GLY HA2 H 1 4.082 0.02 . 2 . . . A 3 GLY HA2 . 25798 1 21 . 1 1 3 3 GLY HA3 H 1 3.91 0.02 . 2 . . . A 3 GLY HA3 . 25798 1 22 . 1 1 3 3 GLY C C 13 174.047 0.4 . 1 . . . A 3 GLY C . 25798 1 23 . 1 1 3 3 GLY CA C 13 45.196 0.4 . 1 . . . A 3 GLY CA . 25798 1 24 . 1 1 3 3 GLY N N 15 111.46 0.4 . 1 . . . A 3 GLY N . 25798 1 25 . 1 1 4 4 ASP H H 1 8.194 0.02 . 1 . . . A 4 ASP H . 25798 1 26 . 1 1 4 4 ASP HA H 1 4.622 0.02 . 1 . . . A 4 ASP HA . 25798 1 27 . 1 1 4 4 ASP HB2 H 1 2.707 0.02 . 2 . . . A 4 ASP HB2 . 25798 1 28 . 1 1 4 4 ASP HB3 H 1 2.685 0.02 . 2 . . . A 4 ASP HB3 . 25798 1 29 . 1 1 4 4 ASP C C 13 176.419 0.4 . 1 . . . A 4 ASP C . 25798 1 30 . 1 1 4 4 ASP CA C 13 54.453 0.4 . 1 . . . A 4 ASP CA . 25798 1 31 . 1 1 4 4 ASP CB C 13 41.263 0.4 . 1 . . . A 4 ASP CB . 25798 1 32 . 1 1 4 4 ASP N N 15 120.475 0.4 . 1 . . . A 4 ASP N . 25798 1 33 . 1 1 5 5 ARG H H 1 8.377 0.02 . 1 . . . A 5 ARG H . 25798 1 34 . 1 1 5 5 ARG HA H 1 4.375 0.02 . 1 . . . A 5 ARG HA . 25798 1 35 . 1 1 5 5 ARG HB2 H 1 1.812 0.02 . 1 . . . A 5 ARG HB2 . 25798 1 36 . 1 1 5 5 ARG HB3 H 1 1.885 0.02 . 1 . . . A 5 ARG HB3 . 25798 1 37 . 1 1 5 5 ARG HG2 H 1 1.658 0.02 . 1 . . . A 5 ARG HG2 . 25798 1 38 . 1 1 5 5 ARG HG3 H 1 1.702 0.02 . 1 . . . A 5 ARG HG3 . 25798 1 39 . 1 1 5 5 ARG HD2 H 1 3.213 0.02 . 1 . . . A 5 ARG HD2 . 25798 1 40 . 1 1 5 5 ARG HD3 H 1 3.213 0.02 . 1 . . . A 5 ARG HD3 . 25798 1 41 . 1 1 5 5 ARG C C 13 176.358 0.4 . 1 . . . A 5 ARG C . 25798 1 42 . 1 1 5 5 ARG CA C 13 56.193 0.4 . 1 . . . A 5 ARG CA . 25798 1 43 . 1 1 5 5 ARG CB C 13 31.151 0.4 . 1 . . . A 5 ARG CB . 25798 1 44 . 1 1 5 5 ARG CG C 13 27.164 0.4 . 1 . . . A 5 ARG CG . 25798 1 45 . 1 1 5 5 ARG CD C 13 43.405 0.4 . 1 . . . A 5 ARG CD . 25798 1 46 . 1 1 5 5 ARG N N 15 121.467 0.4 . 1 . . . A 5 ARG N . 25798 1 47 . 1 1 6 6 GLN H H 1 8.782 0.02 . 1 . . . A 6 GLN H . 25798 1 48 . 1 1 6 6 GLN HA H 1 4.469 0.02 . 1 . . . A 6 GLN HA . 25798 1 49 . 1 1 6 6 GLN HB2 H 1 2.229 0.02 . 1 . . . A 6 GLN HB2 . 25798 1 50 . 1 1 6 6 GLN HB3 H 1 2.127 0.02 . 1 . . . A 6 GLN HB3 . 25798 1 51 . 1 1 6 6 GLN HG2 H 1 2.234 0.02 . 1 . . . A 6 GLN HG2 . 25798 1 52 . 1 1 6 6 GLN HG3 H 1 2.465 0.02 . 1 . . . A 6 GLN HG3 . 25798 1 53 . 1 1 6 6 GLN HE21 H 1 7.744 0.02 . 1 . . . A 6 GLN HE21 . 25798 1 54 . 1 1 6 6 GLN HE22 H 1 6.95 0.02 . 1 . . . A 6 GLN HE22 . 25798 1 55 . 1 1 6 6 GLN C C 13 176.05 0.4 . 1 . . . A 6 GLN C . 25798 1 56 . 1 1 6 6 GLN CA C 13 54.958 0.4 . 1 . . . A 6 GLN CA . 25798 1 57 . 1 1 6 6 GLN CB C 13 30.169 0.4 . 1 . . . A 6 GLN CB . 25798 1 58 . 1 1 6 6 GLN CG C 13 34.105 0.4 . 1 . . . A 6 GLN CG . 25798 1 59 . 1 1 6 6 GLN N N 15 122.767 0.4 . 1 . . . A 6 GLN N . 25798 1 60 . 1 1 6 6 GLN NE2 N 15 113.592 0.4 . 1 . . . A 6 GLN NE2 . 25798 1 61 . 1 1 7 7 TYR H H 1 8.765 0.02 . 1 . . . A 7 TYR H . 25798 1 62 . 1 1 7 7 TYR HA H 1 4.359 0.02 . 1 . . . A 7 TYR HA . 25798 1 63 . 1 1 7 7 TYR HB2 H 1 3.223 0.02 . 2 . . . A 7 TYR HB2 . 25798 1 64 . 1 1 7 7 TYR HB3 H 1 3.098 0.02 . 2 . . . A 7 TYR HB3 . 25798 1 65 . 1 1 7 7 TYR HD1 H 1 7.205 0.02 . 1 . . . A 7 TYR HD1 . 25798 1 66 . 1 1 7 7 TYR HD2 H 1 7.205 0.02 . 1 . . . A 7 TYR HD2 . 25798 1 67 . 1 1 7 7 TYR HE1 H 1 6.736 0.02 . 1 . . . A 7 TYR HE1 . 25798 1 68 . 1 1 7 7 TYR HE2 H 1 6.736 0.02 . 1 . . . A 7 TYR HE2 . 25798 1 69 . 1 1 7 7 TYR C C 13 177.304 0.4 . 1 . . . A 7 TYR C . 25798 1 70 . 1 1 7 7 TYR CA C 13 60.288 0.4 . 1 . . . A 7 TYR CA . 25798 1 71 . 1 1 7 7 TYR CB C 13 38.334 0.4 . 1 . . . A 7 TYR CB . 25798 1 72 . 1 1 7 7 TYR CD1 C 13 133.217 0.4 . 1 . . . A 7 TYR CD1 . 25798 1 73 . 1 1 7 7 TYR CE1 C 13 118.4 0.4 . 1 . . . A 7 TYR CE1 . 25798 1 74 . 1 1 7 7 TYR N N 15 124.909 0.4 . 1 . . . A 7 TYR N . 25798 1 75 . 1 1 8 8 GLY H H 1 8.816 0.02 . 1 . . . A 8 GLY H . 25798 1 76 . 1 1 8 8 GLY HA2 H 1 2.94 0.02 . 1 . . . A 8 GLY HA2 . 25798 1 77 . 1 1 8 8 GLY HA3 H 1 3.889 0.02 . 1 . . . A 8 GLY HA3 . 25798 1 78 . 1 1 8 8 GLY C C 13 174.52 0.4 . 1 . . . A 8 GLY C . 25798 1 79 . 1 1 8 8 GLY CA C 13 45.919 0.4 . 1 . . . A 8 GLY CA . 25798 1 80 . 1 1 8 8 GLY N N 15 116.4 0.4 . 1 . . . A 8 GLY N . 25798 1 81 . 1 1 9 9 ASP H H 1 7.934 0.02 . 1 . . . A 9 ASP H . 25798 1 82 . 1 1 9 9 ASP HA H 1 4.417 0.02 . 1 . . . A 9 ASP HA . 25798 1 83 . 1 1 9 9 ASP HB2 H 1 2.821 0.02 . 2 . . . A 9 ASP HB2 . 25798 1 84 . 1 1 9 9 ASP HB3 H 1 2.618 0.02 . 2 . . . A 9 ASP HB3 . 25798 1 85 . 1 1 9 9 ASP C C 13 177.406 0.4 . 1 . . . A 9 ASP C . 25798 1 86 . 1 1 9 9 ASP CA C 13 56.399 0.4 . 1 . . . A 9 ASP CA . 25798 1 87 . 1 1 9 9 ASP CB C 13 40.874 0.4 . 1 . . . A 9 ASP CB . 25798 1 88 . 1 1 9 9 ASP N N 15 122.869 0.4 . 1 . . . A 9 ASP N . 25798 1 89 . 1 1 10 10 GLY H H 1 8.787 0.02 . 1 . . . A 10 GLY H . 25798 1 90 . 1 1 10 10 GLY HA2 H 1 3.466 0.02 . 1 . . . A 10 GLY HA2 . 25798 1 91 . 1 1 10 10 GLY HA3 H 1 3.869 0.02 . 1 . . . A 10 GLY HA3 . 25798 1 92 . 1 1 10 10 GLY C C 13 174.026 0.4 . 1 . . . A 10 GLY C . 25798 1 93 . 1 1 10 10 GLY CA C 13 45.003 0.4 . 1 . . . A 10 GLY CA . 25798 1 94 . 1 1 10 10 GLY N N 15 111.074 0.4 . 1 . . . A 10 GLY N . 25798 1 95 . 1 1 11 11 TYR H H 1 7.821 0.02 . 1 . . . A 11 TYR H . 25798 1 96 . 1 1 11 11 TYR HA H 1 5.123 0.02 . 1 . . . A 11 TYR HA . 25798 1 97 . 1 1 11 11 TYR HB2 H 1 2.572 0.02 . 2 . . . A 11 TYR HB2 . 25798 1 98 . 1 1 11 11 TYR HB3 H 1 2.342 0.02 . 2 . . . A 11 TYR HB3 . 25798 1 99 . 1 1 11 11 TYR HD1 H 1 5.934 0.02 . 1 . . . A 11 TYR HD1 . 25798 1 100 . 1 1 11 11 TYR HD2 H 1 5.934 0.02 . 1 . . . A 11 TYR HD2 . 25798 1 101 . 1 1 11 11 TYR HE1 H 1 6.23 0.02 . 1 . . . A 11 TYR HE1 . 25798 1 102 . 1 1 11 11 TYR HE2 H 1 6.23 0.02 . 1 . . . A 11 TYR HE2 . 25798 1 103 . 1 1 11 11 TYR C C 13 176.117 0.4 . 1 . . . A 11 TYR C . 25798 1 104 . 1 1 11 11 TYR CA C 13 57.591 0.4 . 1 . . . A 11 TYR CA . 25798 1 105 . 1 1 11 11 TYR CB C 13 36.859 0.4 . 1 . . . A 11 TYR CB . 25798 1 106 . 1 1 11 11 TYR CD1 C 13 132.245 0.4 . 1 . . . A 11 TYR CD1 . 25798 1 107 . 1 1 11 11 TYR CE1 C 13 117.761 0.4 . 1 . . . A 11 TYR CE1 . 25798 1 108 . 1 1 11 11 TYR N N 15 120.388 0.4 . 1 . . . A 11 TYR N . 25798 1 109 . 1 1 12 12 LEU H H 1 8.008 0.02 . 1 . . . A 12 LEU H . 25798 1 110 . 1 1 12 12 LEU HA H 1 5.227 0.02 . 1 . . . A 12 LEU HA . 25798 1 111 . 1 1 12 12 LEU HB2 H 1 1.74 0.02 . 1 . . . A 12 LEU HB2 . 25798 1 112 . 1 1 12 12 LEU HB3 H 1 1.589 0.02 . 1 . . . A 12 LEU HB3 . 25798 1 113 . 1 1 12 12 LEU HG H 1 1.505 0.02 . 1 . . . A 12 LEU HG . 25798 1 114 . 1 1 12 12 LEU HD11 H 1 0.917 0.02 . 1 . . . A 12 LEU HD11 . 25798 1 115 . 1 1 12 12 LEU HD12 H 1 0.917 0.02 . 1 . . . A 12 LEU HD12 . 25798 1 116 . 1 1 12 12 LEU HD13 H 1 0.917 0.02 . 1 . . . A 12 LEU HD13 . 25798 1 117 . 1 1 12 12 LEU HD21 H 1 0.986 0.02 . 1 . . . A 12 LEU HD21 . 25798 1 118 . 1 1 12 12 LEU HD22 H 1 0.986 0.02 . 1 . . . A 12 LEU HD22 . 25798 1 119 . 1 1 12 12 LEU HD23 H 1 0.986 0.02 . 1 . . . A 12 LEU HD23 . 25798 1 120 . 1 1 12 12 LEU C C 13 174.464 0.4 . 1 . . . A 12 LEU C . 25798 1 121 . 1 1 12 12 LEU CA C 13 54.197 0.4 . 1 . . . A 12 LEU CA . 25798 1 122 . 1 1 12 12 LEU CB C 13 45.528 0.4 . 1 . . . A 12 LEU CB . 25798 1 123 . 1 1 12 12 LEU CG C 13 27.521 0.4 . 1 . . . A 12 LEU CG . 25798 1 124 . 1 1 12 12 LEU CD1 C 13 24.962 0.4 . 1 . . . A 12 LEU CD1 . 25798 1 125 . 1 1 12 12 LEU CD2 C 13 24.04 0.4 . 1 . . . A 12 LEU CD2 . 25798 1 126 . 1 1 12 12 LEU N N 15 127.721 0.4 . 1 . . . A 12 LEU N . 25798 1 127 . 1 1 13 13 LEU H H 1 8.342 0.02 . 1 . . . A 13 LEU H . 25798 1 128 . 1 1 13 13 LEU HA H 1 4.819 0.02 . 1 . . . A 13 LEU HA . 25798 1 129 . 1 1 13 13 LEU HB2 H 1 1.256 0.02 . 1 . . . A 13 LEU HB2 . 25798 1 130 . 1 1 13 13 LEU HB3 H 1 1.728 0.02 . 1 . . . A 13 LEU HB3 . 25798 1 131 . 1 1 13 13 LEU HG H 1 1.422 0.02 . 1 . . . A 13 LEU HG . 25798 1 132 . 1 1 13 13 LEU HD11 H 1 0.41 0.02 . 1 . . . A 13 LEU HD11 . 25798 1 133 . 1 1 13 13 LEU HD12 H 1 0.41 0.02 . 1 . . . A 13 LEU HD12 . 25798 1 134 . 1 1 13 13 LEU HD13 H 1 0.41 0.02 . 1 . . . A 13 LEU HD13 . 25798 1 135 . 1 1 13 13 LEU HD21 H 1 0.889 0.02 . 1 . . . A 13 LEU HD21 . 25798 1 136 . 1 1 13 13 LEU HD22 H 1 0.889 0.02 . 1 . . . A 13 LEU HD22 . 25798 1 137 . 1 1 13 13 LEU HD23 H 1 0.889 0.02 . 1 . . . A 13 LEU HD23 . 25798 1 138 . 1 1 13 13 LEU C C 13 175.196 0.4 . 1 . . . A 13 LEU C . 25798 1 139 . 1 1 13 13 LEU CA C 13 55.416 0.4 . 1 . . . A 13 LEU CA . 25798 1 140 . 1 1 13 13 LEU CB C 13 45.751 0.4 . 1 . . . A 13 LEU CB . 25798 1 141 . 1 1 13 13 LEU CG C 13 27.233 0.4 . 1 . . . A 13 LEU CG . 25798 1 142 . 1 1 13 13 LEU CD1 C 13 27.288 0.4 . 1 . . . A 13 LEU CD1 . 25798 1 143 . 1 1 13 13 LEU CD2 C 13 27.465 0.4 . 1 . . . A 13 LEU CD2 . 25798 1 144 . 1 1 13 13 LEU N N 15 124.713 0.4 . 1 . . . A 13 LEU N . 25798 1 145 . 1 1 14 14 GLN H H 1 9.178 0.02 . 1 . . . A 14 GLN H . 25798 1 146 . 1 1 14 14 GLN HA H 1 4.718 0.02 . 1 . . . A 14 GLN HA . 25798 1 147 . 1 1 14 14 GLN HB2 H 1 1.998 0.02 . 1 . . . A 14 GLN HB2 . 25798 1 148 . 1 1 14 14 GLN HB3 H 1 1.998 0.02 . 1 . . . A 14 GLN HB3 . 25798 1 149 . 1 1 14 14 GLN HG2 H 1 2.216 0.02 . 1 . . . A 14 GLN HG2 . 25798 1 150 . 1 1 14 14 GLN HG3 H 1 2.286 0.02 . 1 . . . A 14 GLN HG3 . 25798 1 151 . 1 1 14 14 GLN HE21 H 1 6.824 0.02 . 1 . . . A 14 GLN HE21 . 25798 1 152 . 1 1 14 14 GLN HE22 H 1 7.47 0.02 . 1 . . . A 14 GLN HE22 . 25798 1 153 . 1 1 14 14 GLN C C 13 172.543 0.4 . 1 . . . A 14 GLN C . 25798 1 154 . 1 1 14 14 GLN CA C 13 54.937 0.4 . 1 . . . A 14 GLN CA . 25798 1 155 . 1 1 14 14 GLN CB C 13 29.573 0.4 . 1 . . . A 14 GLN CB . 25798 1 156 . 1 1 14 14 GLN CG C 13 33.121 0.4 . 1 . . . A 14 GLN CG . 25798 1 157 . 1 1 14 14 GLN N N 15 126.235 0.4 . 1 . . . A 14 GLN N . 25798 1 158 . 1 1 14 14 GLN NE2 N 15 111.614 0.4 . 1 . . . A 14 GLN NE2 . 25798 1 159 . 1 1 15 15 VAL H H 1 7.145 0.02 . 1 . . . A 15 VAL H . 25798 1 160 . 1 1 15 15 VAL HA H 1 4.532 0.02 . 1 . . . A 15 VAL HA . 25798 1 161 . 1 1 15 15 VAL HB H 1 2.209 0.02 . 1 . . . A 15 VAL HB . 25798 1 162 . 1 1 15 15 VAL HG11 H 1 0.614 0.02 . 1 . . . A 15 VAL HG11 . 25798 1 163 . 1 1 15 15 VAL HG12 H 1 0.614 0.02 . 1 . . . A 15 VAL HG12 . 25798 1 164 . 1 1 15 15 VAL HG13 H 1 0.614 0.02 . 1 . . . A 15 VAL HG13 . 25798 1 165 . 1 1 15 15 VAL HG21 H 1 1.214 0.02 . 1 . . . A 15 VAL HG21 . 25798 1 166 . 1 1 15 15 VAL HG22 H 1 1.214 0.02 . 1 . . . A 15 VAL HG22 . 25798 1 167 . 1 1 15 15 VAL HG23 H 1 1.214 0.02 . 1 . . . A 15 VAL HG23 . 25798 1 168 . 1 1 15 15 VAL C C 13 172.433 0.4 . 1 . . . A 15 VAL C . 25798 1 169 . 1 1 15 15 VAL CA C 13 59.873 0.4 . 1 . . . A 15 VAL CA . 25798 1 170 . 1 1 15 15 VAL CB C 13 34.879 0.4 . 1 . . . A 15 VAL CB . 25798 1 171 . 1 1 15 15 VAL CG1 C 13 18.503 0.4 . 1 . . . A 15 VAL CG1 . 25798 1 172 . 1 1 15 15 VAL CG2 C 13 21.826 0.4 . 1 . . . A 15 VAL CG2 . 25798 1 173 . 1 1 15 15 VAL N N 15 123.043 0.4 . 1 . . . A 15 VAL N . 25798 1 174 . 1 1 16 16 GLN H H 1 8.16 0.02 . 1 . . . A 16 GLN H . 25798 1 175 . 1 1 16 16 GLN HA H 1 4.303 0.02 . 1 . . . A 16 GLN HA . 25798 1 176 . 1 1 16 16 GLN HB2 H 1 1.938 0.02 . 1 . . . A 16 GLN HB2 . 25798 1 177 . 1 1 16 16 GLN HB3 H 1 2.165 0.02 . 1 . . . A 16 GLN HB3 . 25798 1 178 . 1 1 16 16 GLN HG2 H 1 2.247 0.02 . 1 . . . A 16 GLN HG2 . 25798 1 179 . 1 1 16 16 GLN HG3 H 1 2.247 0.02 . 1 . . . A 16 GLN HG3 . 25798 1 180 . 1 1 16 16 GLN HE21 H 1 7.898 0.02 . 1 . . . A 16 GLN HE21 . 25798 1 181 . 1 1 16 16 GLN HE22 H 1 7.126 0.02 . 1 . . . A 16 GLN HE22 . 25798 1 182 . 1 1 16 16 GLN C C 13 173.655 0.4 . 1 . . . A 16 GLN C . 25798 1 183 . 1 1 16 16 GLN CA C 13 56.133 0.4 . 1 . . . A 16 GLN CA . 25798 1 184 . 1 1 16 16 GLN CB C 13 29.342 0.4 . 1 . . . A 16 GLN CB . 25798 1 185 . 1 1 16 16 GLN CG C 13 33.832 0.4 . 1 . . . A 16 GLN CG . 25798 1 186 . 1 1 16 16 GLN N N 15 127.141 0.4 . 1 . . . A 16 GLN N . 25798 1 187 . 1 1 16 16 GLN NE2 N 15 112.651 0.4 . 1 . . . A 16 GLN NE2 . 25798 1 188 . 1 1 17 17 GLU H H 1 8.128 0.02 . 1 . . . A 17 GLU H . 25798 1 189 . 1 1 17 17 GLU HA H 1 4.735 0.02 . 1 . . . A 17 GLU HA . 25798 1 190 . 1 1 17 17 GLU HB2 H 1 2.064 0.02 . 1 . . . A 17 GLU HB2 . 25798 1 191 . 1 1 17 17 GLU HB3 H 1 2.315 0.02 . 1 . . . A 17 GLU HB3 . 25798 1 192 . 1 1 17 17 GLU HG2 H 1 2.536 0.02 . 1 . . . A 17 GLU HG2 . 25798 1 193 . 1 1 17 17 GLU HG3 H 1 2.536 0.02 . 1 . . . A 17 GLU HG3 . 25798 1 194 . 1 1 17 17 GLU C C 13 176.974 0.4 . 1 . . . A 17 GLU C . 25798 1 195 . 1 1 17 17 GLU CA C 13 58.574 0.4 . 1 . . . A 17 GLU CA . 25798 1 196 . 1 1 17 17 GLU CB C 13 31.48 0.4 . 1 . . . A 17 GLU CB . 25798 1 197 . 1 1 17 17 GLU CG C 13 38.746 0.4 . 1 . . . A 17 GLU CG . 25798 1 198 . 1 1 17 17 GLU N N 15 119.5 0.4 . 1 . . . A 17 GLU N . 25798 1 199 . 1 1 18 18 LEU H H 1 7.762 0.02 . 1 . . . A 18 LEU H . 25798 1 200 . 1 1 18 18 LEU HA H 1 5.36 0.02 . 1 . . . A 18 LEU HA . 25798 1 201 . 1 1 18 18 LEU HB2 H 1 1.575 0.02 . 1 . . . A 18 LEU HB2 . 25798 1 202 . 1 1 18 18 LEU HB3 H 1 1.649 0.02 . 1 . . . A 18 LEU HB3 . 25798 1 203 . 1 1 18 18 LEU HG H 1 1.489 0.02 . 1 . . . A 18 LEU HG . 25798 1 204 . 1 1 18 18 LEU HD11 H 1 0.837 0.02 . 1 . . . A 18 LEU HD11 . 25798 1 205 . 1 1 18 18 LEU HD12 H 1 0.837 0.02 . 1 . . . A 18 LEU HD12 . 25798 1 206 . 1 1 18 18 LEU HD13 H 1 0.837 0.02 . 1 . . . A 18 LEU HD13 . 25798 1 207 . 1 1 18 18 LEU HD21 H 1 0.843 0.02 . 1 . . . A 18 LEU HD21 . 25798 1 208 . 1 1 18 18 LEU HD22 H 1 0.843 0.02 . 1 . . . A 18 LEU HD22 . 25798 1 209 . 1 1 18 18 LEU HD23 H 1 0.843 0.02 . 1 . . . A 18 LEU HD23 . 25798 1 210 . 1 1 18 18 LEU C C 13 176 0.4 . 1 . . . A 18 LEU C . 25798 1 211 . 1 1 18 18 LEU CA C 13 54.236 0.4 . 1 . . . A 18 LEU CA . 25798 1 212 . 1 1 18 18 LEU CB C 13 44.374 0.4 . 1 . . . A 18 LEU CB . 25798 1 213 . 1 1 18 18 LEU CG C 13 27.605 0.4 . 1 . . . A 18 LEU CG . 25798 1 214 . 1 1 18 18 LEU CD1 C 13 24.497 0.4 . 1 . . . A 18 LEU CD1 . 25798 1 215 . 1 1 18 18 LEU CD2 C 13 25.098 0.4 . 1 . . . A 18 LEU CD2 . 25798 1 216 . 1 1 18 18 LEU N N 15 119.664 0.4 . 1 . . . A 18 LEU N . 25798 1 217 . 1 1 19 19 VAL H H 1 9.075 0.02 . 1 . . . A 19 VAL H . 25798 1 218 . 1 1 19 19 VAL HA H 1 4.46 0.02 . 1 . . . A 19 VAL HA . 25798 1 219 . 1 1 19 19 VAL HB H 1 1.853 0.02 . 1 . . . A 19 VAL HB . 25798 1 220 . 1 1 19 19 VAL HG11 H 1 0.769 0.02 . 1 . . . A 19 VAL HG11 . 25798 1 221 . 1 1 19 19 VAL HG12 H 1 0.769 0.02 . 1 . . . A 19 VAL HG12 . 25798 1 222 . 1 1 19 19 VAL HG13 H 1 0.769 0.02 . 1 . . . A 19 VAL HG13 . 25798 1 223 . 1 1 19 19 VAL HG21 H 1 0.841 0.02 . 1 . . . A 19 VAL HG21 . 25798 1 224 . 1 1 19 19 VAL HG22 H 1 0.841 0.02 . 1 . . . A 19 VAL HG22 . 25798 1 225 . 1 1 19 19 VAL HG23 H 1 0.841 0.02 . 1 . . . A 19 VAL HG23 . 25798 1 226 . 1 1 19 19 VAL C C 13 172.885 0.4 . 1 . . . A 19 VAL C . 25798 1 227 . 1 1 19 19 VAL CA C 13 60.735 0.4 . 1 . . . A 19 VAL CA . 25798 1 228 . 1 1 19 19 VAL CB C 13 35.284 0.4 . 1 . . . A 19 VAL CB . 25798 1 229 . 1 1 19 19 VAL CG1 C 13 21.301 0.4 . 1 . . . A 19 VAL CG1 . 25798 1 230 . 1 1 19 19 VAL CG2 C 13 22.177 0.4 . 1 . . . A 19 VAL CG2 . 25798 1 231 . 1 1 19 19 VAL N N 15 126.968 0.4 . 1 . . . A 19 VAL N . 25798 1 232 . 1 1 20 20 THR H H 1 8.398 0.02 . 1 . . . A 20 THR H . 25798 1 233 . 1 1 20 20 THR HA H 1 5.552 0.02 . 1 . . . A 20 THR HA . 25798 1 234 . 1 1 20 20 THR HB H 1 3.919 0.02 . 1 . . . A 20 THR HB . 25798 1 235 . 1 1 20 20 THR HG21 H 1 1.153 0.02 . 1 . . . A 20 THR HG21 . 25798 1 236 . 1 1 20 20 THR HG22 H 1 1.153 0.02 . 1 . . . A 20 THR HG22 . 25798 1 237 . 1 1 20 20 THR HG23 H 1 1.153 0.02 . 1 . . . A 20 THR HG23 . 25798 1 238 . 1 1 20 20 THR C C 13 172.972 0.4 . 1 . . . A 20 THR C . 25798 1 239 . 1 1 20 20 THR CA C 13 60.672 0.4 . 1 . . . A 20 THR CA . 25798 1 240 . 1 1 20 20 THR CB C 13 70.28 0.4 . 1 . . . A 20 THR CB . 25798 1 241 . 1 1 20 20 THR CG2 C 13 21.751 0.4 . 1 . . . A 20 THR CG2 . 25798 1 242 . 1 1 20 20 THR N N 15 121.961 0.4 . 1 . . . A 20 THR N . 25798 1 243 . 1 1 21 21 VAL H H 1 8.766 0.02 . 1 . . . A 21 VAL H . 25798 1 244 . 1 1 21 21 VAL HA H 1 4.502 0.02 . 1 . . . A 21 VAL HA . 25798 1 245 . 1 1 21 21 VAL HB H 1 1.66 0.02 . 1 . . . A 21 VAL HB . 25798 1 246 . 1 1 21 21 VAL HG11 H 1 0.562 0.02 . 1 . . . A 21 VAL HG11 . 25798 1 247 . 1 1 21 21 VAL HG12 H 1 0.562 0.02 . 1 . . . A 21 VAL HG12 . 25798 1 248 . 1 1 21 21 VAL HG13 H 1 0.562 0.02 . 1 . . . A 21 VAL HG13 . 25798 1 249 . 1 1 21 21 VAL HG21 H 1 0.768 0.02 . 1 . . . A 21 VAL HG21 . 25798 1 250 . 1 1 21 21 VAL HG22 H 1 0.768 0.02 . 1 . . . A 21 VAL HG22 . 25798 1 251 . 1 1 21 21 VAL HG23 H 1 0.768 0.02 . 1 . . . A 21 VAL HG23 . 25798 1 252 . 1 1 21 21 VAL C C 13 171.856 0.4 . 1 . . . A 21 VAL C . 25798 1 253 . 1 1 21 21 VAL CA C 13 58.739 0.4 . 1 . . . A 21 VAL CA . 25798 1 254 . 1 1 21 21 VAL CB C 13 35.018 0.4 . 1 . . . A 21 VAL CB . 25798 1 255 . 1 1 21 21 VAL CG1 C 13 18.78 0.4 . 1 . . . A 21 VAL CG1 . 25798 1 256 . 1 1 21 21 VAL CG2 C 13 21.32 0.4 . 1 . . . A 21 VAL CG2 . 25798 1 257 . 1 1 21 21 VAL N N 15 125.056 0.4 . 1 . . . A 21 VAL N . 25798 1 258 . 1 1 22 22 GLN H H 1 8.239 0.02 . 1 . . . A 22 GLN H . 25798 1 259 . 1 1 22 22 GLN HA H 1 4.575 0.02 . 1 . . . A 22 GLN HA . 25798 1 260 . 1 1 22 22 GLN HB2 H 1 1.869 0.02 . 1 . . . A 22 GLN HB2 . 25798 1 261 . 1 1 22 22 GLN HB3 H 1 1.869 0.02 . 1 . . . A 22 GLN HB3 . 25798 1 262 . 1 1 22 22 GLN HG2 H 1 2.486 0.02 . 1 . . . A 22 GLN HG2 . 25798 1 263 . 1 1 22 22 GLN HG3 H 1 2.232 0.02 . 1 . . . A 22 GLN HG3 . 25798 1 264 . 1 1 22 22 GLN HE21 H 1 7.506 0.02 . 1 . . . A 22 GLN HE21 . 25798 1 265 . 1 1 22 22 GLN HE22 H 1 6.903 0.02 . 1 . . . A 22 GLN HE22 . 25798 1 266 . 1 1 22 22 GLN C C 13 175.388 0.4 . 1 . . . A 22 GLN C . 25798 1 267 . 1 1 22 22 GLN CA C 13 55.312 0.4 . 1 . . . A 22 GLN CA . 25798 1 268 . 1 1 22 22 GLN CB C 13 30.095 0.4 . 1 . . . A 22 GLN CB . 25798 1 269 . 1 1 22 22 GLN CG C 13 34.166 0.4 . 1 . . . A 22 GLN CG . 25798 1 270 . 1 1 22 22 GLN N N 15 127.935 0.4 . 1 . . . A 22 GLN N . 25798 1 271 . 1 1 22 22 GLN NE2 N 15 112.453 0.4 . 1 . . . A 22 GLN NE2 . 25798 1 272 . 1 1 23 23 GLU H H 1 8.436 0.02 . 1 . . . A 23 GLU H . 25798 1 273 . 1 1 23 23 GLU HA H 1 3.502 0.02 . 1 . . . A 23 GLU HA . 25798 1 274 . 1 1 23 23 GLU HB2 H 1 1.958 0.02 . 1 . . . A 23 GLU HB2 . 25798 1 275 . 1 1 23 23 GLU HB3 H 1 1.846 0.02 . 1 . . . A 23 GLU HB3 . 25798 1 276 . 1 1 23 23 GLU HG2 H 1 2.207 0.02 . 1 . . . A 23 GLU HG2 . 25798 1 277 . 1 1 23 23 GLU HG3 H 1 2.274 0.02 . 1 . . . A 23 GLU HG3 . 25798 1 278 . 1 1 23 23 GLU C C 13 176.015 0.4 . 1 . . . A 23 GLU C . 25798 1 279 . 1 1 23 23 GLU CA C 13 58.203 0.4 . 1 . . . A 23 GLU CA . 25798 1 280 . 1 1 23 23 GLU CB C 13 30.257 0.4 . 1 . . . A 23 GLU CB . 25798 1 281 . 1 1 23 23 GLU CG C 13 36.144 0.4 . 1 . . . A 23 GLU CG . 25798 1 282 . 1 1 23 23 GLU N N 15 124.409 0.4 . 1 . . . A 23 GLU N . 25798 1 283 . 1 1 24 24 GLY H H 1 9.756 0.02 . 1 . . . A 24 GLY H . 25798 1 284 . 1 1 24 24 GLY HA2 H 1 4.346 0.02 . 1 . . . A 24 GLY HA2 . 25798 1 285 . 1 1 24 24 GLY HA3 H 1 3.855 0.02 . 1 . . . A 24 GLY HA3 . 25798 1 286 . 1 1 24 24 GLY C C 13 174.928 0.4 . 1 . . . A 24 GLY C . 25798 1 287 . 1 1 24 24 GLY CA C 13 44.815 0.4 . 1 . . . A 24 GLY CA . 25798 1 288 . 1 1 24 24 GLY N N 15 114.014 0.4 . 1 . . . A 24 GLY N . 25798 1 289 . 1 1 25 25 LEU H H 1 8.387 0.02 . 1 . . . A 25 LEU H . 25798 1 290 . 1 1 25 25 LEU HA H 1 4.766 0.02 . 1 . . . A 25 LEU HA . 25798 1 291 . 1 1 25 25 LEU HB2 H 1 2.01 0.02 . 1 . . . A 25 LEU HB2 . 25798 1 292 . 1 1 25 25 LEU HB3 H 1 1.779 0.02 . 1 . . . A 25 LEU HB3 . 25798 1 293 . 1 1 25 25 LEU HG H 1 1.547 0.02 . 1 . . . A 25 LEU HG . 25798 1 294 . 1 1 25 25 LEU HD11 H 1 0.941 0.02 . 1 . . . A 25 LEU HD11 . 25798 1 295 . 1 1 25 25 LEU HD12 H 1 0.941 0.02 . 1 . . . A 25 LEU HD12 . 25798 1 296 . 1 1 25 25 LEU HD13 H 1 0.941 0.02 . 1 . . . A 25 LEU HD13 . 25798 1 297 . 1 1 25 25 LEU HD21 H 1 0.866 0.02 . 1 . . . A 25 LEU HD21 . 25798 1 298 . 1 1 25 25 LEU HD22 H 1 0.866 0.02 . 1 . . . A 25 LEU HD22 . 25798 1 299 . 1 1 25 25 LEU HD23 H 1 0.866 0.02 . 1 . . . A 25 LEU HD23 . 25798 1 300 . 1 1 25 25 LEU C C 13 174.536 0.4 . 1 . . . A 25 LEU C . 25798 1 301 . 1 1 25 25 LEU CA C 13 54.039 0.4 . 1 . . . A 25 LEU CA . 25798 1 302 . 1 1 25 25 LEU CB C 13 40.962 0.4 . 1 . . . A 25 LEU CB . 25798 1 303 . 1 1 25 25 LEU CG C 13 27.38 0.4 . 1 . . . A 25 LEU CG . 25798 1 304 . 1 1 25 25 LEU CD1 C 13 25.776 0.4 . 1 . . . A 25 LEU CD1 . 25798 1 305 . 1 1 25 25 LEU CD2 C 13 22.523 0.4 . 1 . . . A 25 LEU CD2 . 25798 1 306 . 1 1 25 25 LEU N N 15 123.1 0.4 . 1 . . . A 25 LEU N . 25798 1 307 . 1 1 26 26 SER H H 1 7.61 0.02 . 1 . . . A 26 SER H . 25798 1 308 . 1 1 26 26 SER HA H 1 5.581 0.02 . 1 . . . A 26 SER HA . 25798 1 309 . 1 1 26 26 SER HB2 H 1 3.77 0.02 . 1 . . . A 26 SER HB2 . 25798 1 310 . 1 1 26 26 SER HB3 H 1 3.851 0.02 . 1 . . . A 26 SER HB3 . 25798 1 311 . 1 1 26 26 SER C C 13 173.656 0.4 . 1 . . . A 26 SER C . 25798 1 312 . 1 1 26 26 SER CA C 13 56.337 0.4 . 1 . . . A 26 SER CA . 25798 1 313 . 1 1 26 26 SER CB C 13 66.522 0.4 . 1 . . . A 26 SER CB . 25798 1 314 . 1 1 26 26 SER N N 15 110.048 0.4 . 1 . . . A 26 SER N . 25798 1 315 . 1 1 27 27 VAL H H 1 9.036 0.02 . 1 . . . A 27 VAL H . 25798 1 316 . 1 1 27 27 VAL HA H 1 4.532 0.02 . 1 . . . A 27 VAL HA . 25798 1 317 . 1 1 27 27 VAL HB H 1 1.887 0.02 . 1 . . . A 27 VAL HB . 25798 1 318 . 1 1 27 27 VAL HG11 H 1 0.58 0.02 . 1 . . . A 27 VAL HG11 . 25798 1 319 . 1 1 27 27 VAL HG12 H 1 0.58 0.02 . 1 . . . A 27 VAL HG12 . 25798 1 320 . 1 1 27 27 VAL HG13 H 1 0.58 0.02 . 1 . . . A 27 VAL HG13 . 25798 1 321 . 1 1 27 27 VAL HG21 H 1 0.868 0.02 . 1 . . . A 27 VAL HG21 . 25798 1 322 . 1 1 27 27 VAL HG22 H 1 0.868 0.02 . 1 . . . A 27 VAL HG22 . 25798 1 323 . 1 1 27 27 VAL HG23 H 1 0.868 0.02 . 1 . . . A 27 VAL HG23 . 25798 1 324 . 1 1 27 27 VAL C C 13 171.078 0.4 . 1 . . . A 27 VAL C . 25798 1 325 . 1 1 27 27 VAL CA C 13 60.473 0.4 . 1 . . . A 27 VAL CA . 25798 1 326 . 1 1 27 27 VAL CB C 13 35.329 0.4 . 1 . . . A 27 VAL CB . 25798 1 327 . 1 1 27 27 VAL CG1 C 13 19.215 0.4 . 1 . . . A 27 VAL CG1 . 25798 1 328 . 1 1 27 27 VAL CG2 C 13 21.521 0.4 . 1 . . . A 27 VAL CG2 . 25798 1 329 . 1 1 27 27 VAL N N 15 119.881 0.4 . 1 . . . A 27 VAL N . 25798 1 330 . 1 1 28 28 HIS H H 1 8.35 0.02 . 1 . . . A 28 HIS H . 25798 1 331 . 1 1 28 28 HIS HA H 1 4.909 0.02 . 1 . . . A 28 HIS HA . 25798 1 332 . 1 1 28 28 HIS HB2 H 1 2.909 0.02 . 1 . . . A 28 HIS HB2 . 25798 1 333 . 1 1 28 28 HIS HB3 H 1 2.909 0.02 . 1 . . . A 28 HIS HB3 . 25798 1 334 . 1 1 28 28 HIS HD2 H 1 6.733 0.02 . 1 . . . A 28 HIS HD2 . 25798 1 335 . 1 1 28 28 HIS HE1 H 1 7.577 0.02 . 1 . . . A 28 HIS HE1 . 25798 1 336 . 1 1 28 28 HIS C C 13 174.092 0.4 . 1 . . . A 28 HIS C . 25798 1 337 . 1 1 28 28 HIS CA C 13 55.258 0.4 . 1 . . . A 28 HIS CA . 25798 1 338 . 1 1 28 28 HIS CB C 13 32.763 0.4 . 1 . . . A 28 HIS CB . 25798 1 339 . 1 1 28 28 HIS CD2 C 13 118.65 0.4 . 1 . . . A 28 HIS CD2 . 25798 1 340 . 1 1 28 28 HIS CE1 C 13 138.184 0.4 . 1 . . . A 28 HIS CE1 . 25798 1 341 . 1 1 28 28 HIS N N 15 127.007 0.4 . 1 . . . A 28 HIS N . 25798 1 342 . 1 1 29 29 VAL H H 1 8.857 0.02 . 1 . . . A 29 VAL H . 25798 1 343 . 1 1 29 29 VAL HA H 1 4.22 0.02 . 1 . . . A 29 VAL HA . 25798 1 344 . 1 1 29 29 VAL HB H 1 2.001 0.02 . 1 . . . A 29 VAL HB . 25798 1 345 . 1 1 29 29 VAL HG11 H 1 0.723 0.02 . 1 . . . A 29 VAL HG11 . 25798 1 346 . 1 1 29 29 VAL HG12 H 1 0.723 0.02 . 1 . . . A 29 VAL HG12 . 25798 1 347 . 1 1 29 29 VAL HG13 H 1 0.723 0.02 . 1 . . . A 29 VAL HG13 . 25798 1 348 . 1 1 29 29 VAL HG21 H 1 0.574 0.02 . 1 . . . A 29 VAL HG21 . 25798 1 349 . 1 1 29 29 VAL HG22 H 1 0.574 0.02 . 1 . . . A 29 VAL HG22 . 25798 1 350 . 1 1 29 29 VAL HG23 H 1 0.574 0.02 . 1 . . . A 29 VAL HG23 . 25798 1 351 . 1 1 29 29 VAL C C 13 172.621 0.4 . 1 . . . A 29 VAL C . 25798 1 352 . 1 1 29 29 VAL CA C 13 59.261 0.4 . 1 . . . A 29 VAL CA . 25798 1 353 . 1 1 29 29 VAL CB C 13 32.961 0.4 . 1 . . . A 29 VAL CB . 25798 1 354 . 1 1 29 29 VAL CG1 C 13 21.811 0.4 . 1 . . . A 29 VAL CG1 . 25798 1 355 . 1 1 29 29 VAL CG2 C 13 20.246 0.4 . 1 . . . A 29 VAL CG2 . 25798 1 356 . 1 1 29 29 VAL N N 15 127.867 0.4 . 1 . . . A 29 VAL N . 25798 1 357 . 1 1 30 30 PRO HA H 1 4.468 0.02 . 1 . . . A 30 PRO HA . 25798 1 358 . 1 1 30 30 PRO HB2 H 1 1.88 0.02 . 1 . . . A 30 PRO HB2 . 25798 1 359 . 1 1 30 30 PRO HB3 H 1 2.321 0.02 . 1 . . . A 30 PRO HB3 . 25798 1 360 . 1 1 30 30 PRO HG2 H 1 2.155 0.02 . 1 . . . A 30 PRO HG2 . 25798 1 361 . 1 1 30 30 PRO HG3 H 1 1.956 0.02 . 1 . . . A 30 PRO HG3 . 25798 1 362 . 1 1 30 30 PRO HD2 H 1 3.831 0.02 . 1 . . . A 30 PRO HD2 . 25798 1 363 . 1 1 30 30 PRO HD3 H 1 3.716 0.02 . 1 . . . A 30 PRO HD3 . 25798 1 364 . 1 1 30 30 PRO C C 13 176.916 0.4 . 1 . . . A 30 PRO C . 25798 1 365 . 1 1 30 30 PRO CA C 13 62.259 0.4 . 1 . . . A 30 PRO CA . 25798 1 366 . 1 1 30 30 PRO CB C 13 32.246 0.4 . 1 . . . A 30 PRO CB . 25798 1 367 . 1 1 30 30 PRO CG C 13 27.646 0.4 . 1 . . . A 30 PRO CG . 25798 1 368 . 1 1 30 30 PRO CD C 13 51.136 0.4 . 1 . . . A 30 PRO CD . 25798 1 369 . 1 1 31 31 CYS H H 1 8.317 0.02 . 1 . . . A 31 CYS H . 25798 1 370 . 1 1 31 31 CYS HA H 1 5.455 0.02 . 1 . . . A 31 CYS HA . 25798 1 371 . 1 1 31 31 CYS HB2 H 1 2.912 0.02 . 1 . . . A 31 CYS HB2 . 25798 1 372 . 1 1 31 31 CYS HB3 H 1 2.421 0.02 . 1 . . . A 31 CYS HB3 . 25798 1 373 . 1 1 31 31 CYS C C 13 174.135 0.4 . 1 . . . A 31 CYS C . 25798 1 374 . 1 1 31 31 CYS CA C 13 55.604 0.4 . 1 . . . A 31 CYS CA . 25798 1 375 . 1 1 31 31 CYS CB C 13 40.448 0.4 . 1 . . . A 31 CYS CB . 25798 1 376 . 1 1 31 31 CYS N N 15 124.785 0.4 . 1 . . . A 31 CYS N . 25798 1 377 . 1 1 32 32 SER H H 1 9.255 0.02 . 1 . . . A 32 SER H . 25798 1 378 . 1 1 32 32 SER HA H 1 5.424 0.02 . 1 . . . A 32 SER HA . 25798 1 379 . 1 1 32 32 SER HB2 H 1 3.955 0.02 . 2 . . . A 32 SER HB2 . 25798 1 380 . 1 1 32 32 SER HB3 H 1 3.895 0.02 . 2 . . . A 32 SER HB3 . 25798 1 381 . 1 1 32 32 SER C C 13 171.626 0.4 . 1 . . . A 32 SER C . 25798 1 382 . 1 1 32 32 SER CA C 13 58.192 0.4 . 1 . . . A 32 SER CA . 25798 1 383 . 1 1 32 32 SER CB C 13 66.318 0.4 . 1 . . . A 32 SER CB . 25798 1 384 . 1 1 32 32 SER N N 15 126.193 0.4 . 1 . . . A 32 SER N . 25798 1 385 . 1 1 33 33 PHE H H 1 7.722 0.02 . 1 . . . A 33 PHE H . 25798 1 386 . 1 1 33 33 PHE HA H 1 5.632 0.02 . 1 . . . A 33 PHE HA . 25798 1 387 . 1 1 33 33 PHE HB2 H 1 3.163 0.02 . 1 . . . A 33 PHE HB2 . 25798 1 388 . 1 1 33 33 PHE HB3 H 1 2.87 0.02 . 1 . . . A 33 PHE HB3 . 25798 1 389 . 1 1 33 33 PHE HD1 H 1 6.989 0.02 . 1 . . . A 33 PHE HD1 . 25798 1 390 . 1 1 33 33 PHE HD2 H 1 6.989 0.02 . 1 . . . A 33 PHE HD2 . 25798 1 391 . 1 1 33 33 PHE HE1 H 1 7.049 0.02 . 1 . . . A 33 PHE HE1 . 25798 1 392 . 1 1 33 33 PHE HE2 H 1 7.049 0.02 . 1 . . . A 33 PHE HE2 . 25798 1 393 . 1 1 33 33 PHE HZ H 1 7.39 0.02 . 1 . . . A 33 PHE HZ . 25798 1 394 . 1 1 33 33 PHE C C 13 173.542 0.4 . 1 . . . A 33 PHE C . 25798 1 395 . 1 1 33 33 PHE CA C 13 55.736 0.4 . 1 . . . A 33 PHE CA . 25798 1 396 . 1 1 33 33 PHE CB C 13 41.002 0.4 . 1 . . . A 33 PHE CB . 25798 1 397 . 1 1 33 33 PHE CD2 C 13 132.682 0.4 . 1 . . . A 33 PHE CD2 . 25798 1 398 . 1 1 33 33 PHE CE2 C 13 131.457 0.4 . 1 . . . A 33 PHE CE2 . 25798 1 399 . 1 1 33 33 PHE CZ C 13 129.382 0.4 . 1 . . . A 33 PHE CZ . 25798 1 400 . 1 1 33 33 PHE N N 15 116.974 0.4 . 1 . . . A 33 PHE N . 25798 1 401 . 1 1 34 34 SER H H 1 9.562 0.02 . 1 . . . A 34 SER H . 25798 1 402 . 1 1 34 34 SER HA H 1 4.764 0.02 . 1 . . . A 34 SER HA . 25798 1 403 . 1 1 34 34 SER HB2 H 1 3.777 0.02 . 1 . . . A 34 SER HB2 . 25798 1 404 . 1 1 34 34 SER HB3 H 1 3.777 0.02 . 1 . . . A 34 SER HB3 . 25798 1 405 . 1 1 34 34 SER C C 13 173.338 0.4 . 1 . . . A 34 SER C . 25798 1 406 . 1 1 34 34 SER CA C 13 57.673 0.4 . 1 . . . A 34 SER CA . 25798 1 407 . 1 1 34 34 SER CB C 13 66.163 0.4 . 1 . . . A 34 SER CB . 25798 1 408 . 1 1 34 34 SER N N 15 113.682 0.4 . 1 . . . A 34 SER N . 25798 1 409 . 1 1 35 35 TYR H H 1 8.023 0.02 . 1 . . . A 35 TYR H . 25798 1 410 . 1 1 35 35 TYR HA H 1 4.807 0.02 . 1 . . . A 35 TYR HA . 25798 1 411 . 1 1 35 35 TYR HB2 H 1 2.786 0.02 . 1 . . . A 35 TYR HB2 . 25798 1 412 . 1 1 35 35 TYR HB3 H 1 3.239 0.02 . 1 . . . A 35 TYR HB3 . 25798 1 413 . 1 1 35 35 TYR HD1 H 1 7.115 0.02 . 1 . . . A 35 TYR HD1 . 25798 1 414 . 1 1 35 35 TYR HD2 H 1 7.115 0.02 . 1 . . . A 35 TYR HD2 . 25798 1 415 . 1 1 35 35 TYR HE1 H 1 6.077 0.02 . 1 . . . A 35 TYR HE1 . 25798 1 416 . 1 1 35 35 TYR HE2 H 1 6.077 0.02 . 1 . . . A 35 TYR HE2 . 25798 1 417 . 1 1 35 35 TYR C C 13 171.823 0.4 . 1 . . . A 35 TYR C . 25798 1 418 . 1 1 35 35 TYR CA C 13 54.699 0.4 . 1 . . . A 35 TYR CA . 25798 1 419 . 1 1 35 35 TYR CB C 13 37.031 0.4 . 1 . . . A 35 TYR CB . 25798 1 420 . 1 1 35 35 TYR CD1 C 13 135.072 0.4 . 1 . . . A 35 TYR CD1 . 25798 1 421 . 1 1 35 35 TYR CE1 C 13 116.883 0.4 . 1 . . . A 35 TYR CE1 . 25798 1 422 . 1 1 35 35 TYR N N 15 121.451 0.4 . 1 . . . A 35 TYR N . 25798 1 423 . 1 1 36 36 PRO HA H 1 4.53 0.02 . 1 . . . A 36 PRO HA . 25798 1 424 . 1 1 36 36 PRO HB2 H 1 2.115 0.02 . 1 . . . A 36 PRO HB2 . 25798 1 425 . 1 1 36 36 PRO HB3 H 1 1.877 0.02 . 1 . . . A 36 PRO HB3 . 25798 1 426 . 1 1 36 36 PRO HG2 H 1 1.575 0.02 . 1 . . . A 36 PRO HG2 . 25798 1 427 . 1 1 36 36 PRO HG3 H 1 1.484 0.02 . 1 . . . A 36 PRO HG3 . 25798 1 428 . 1 1 36 36 PRO HD2 H 1 1.916 0.02 . 1 . . . A 36 PRO HD2 . 25798 1 429 . 1 1 36 36 PRO HD3 H 1 2.49 0.02 . 1 . . . A 36 PRO HD3 . 25798 1 430 . 1 1 36 36 PRO C C 13 176.057 0.4 . 1 . . . A 36 PRO C . 25798 1 431 . 1 1 36 36 PRO CA C 13 61.912 0.4 . 1 . . . A 36 PRO CA . 25798 1 432 . 1 1 36 36 PRO CB C 13 32.733 0.4 . 1 . . . A 36 PRO CB . 25798 1 433 . 1 1 36 36 PRO CG C 13 27.606 0.4 . 1 . . . A 36 PRO CG . 25798 1 434 . 1 1 36 36 PRO CD C 13 48.9 0.4 . 1 . . . A 36 PRO CD . 25798 1 435 . 1 1 37 37 GLN H H 1 8.448 0.02 . 1 . . . A 37 GLN H . 25798 1 436 . 1 1 37 37 GLN HA H 1 4.162 0.02 . 1 . . . A 37 GLN HA . 25798 1 437 . 1 1 37 37 GLN HB2 H 1 1.894 0.02 . 1 . . . A 37 GLN HB2 . 25798 1 438 . 1 1 37 37 GLN HB3 H 1 1.682 0.02 . 1 . . . A 37 GLN HB3 . 25798 1 439 . 1 1 37 37 GLN HG2 H 1 1.6 0.02 . 1 . . . A 37 GLN HG2 . 25798 1 440 . 1 1 37 37 GLN HG3 H 1 2.006 0.02 . 1 . . . A 37 GLN HG3 . 25798 1 441 . 1 1 37 37 GLN HE21 H 1 7.005 0.02 . 1 . . . A 37 GLN HE21 . 25798 1 442 . 1 1 37 37 GLN HE22 H 1 6.382 0.02 . 1 . . . A 37 GLN HE22 . 25798 1 443 . 1 1 37 37 GLN C C 13 174.487 0.4 . 1 . . . A 37 GLN C . 25798 1 444 . 1 1 37 37 GLN CA C 13 55.688 0.4 . 1 . . . A 37 GLN CA . 25798 1 445 . 1 1 37 37 GLN CB C 13 28.149 0.4 . 1 . . . A 37 GLN CB . 25798 1 446 . 1 1 37 37 GLN CG C 13 33.611 0.4 . 1 . . . A 37 GLN CG . 25798 1 447 . 1 1 37 37 GLN N N 15 118.377 0.4 . 1 . . . A 37 GLN N . 25798 1 448 . 1 1 37 37 GLN NE2 N 15 112.061 0.4 . 1 . . . A 37 GLN NE2 . 25798 1 449 . 1 1 38 38 ASP H H 1 7.043 0.02 . 1 . . . A 38 ASP H . 25798 1 450 . 1 1 38 38 ASP HA H 1 4.507 0.02 . 1 . . . A 38 ASP HA . 25798 1 451 . 1 1 38 38 ASP HB2 H 1 2.616 0.02 . 2 . . . A 38 ASP HB2 . 25798 1 452 . 1 1 38 38 ASP HB3 H 1 2.478 0.02 . 2 . . . A 38 ASP HB3 . 25798 1 453 . 1 1 38 38 ASP C C 13 175.926 0.4 . 1 . . . A 38 ASP C . 25798 1 454 . 1 1 38 38 ASP CA C 13 54.261 0.4 . 1 . . . A 38 ASP CA . 25798 1 455 . 1 1 38 38 ASP CB C 13 41.901 0.4 . 1 . . . A 38 ASP CB . 25798 1 456 . 1 1 38 38 ASP N N 15 120.463 0.4 . 1 . . . A 38 ASP N . 25798 1 457 . 1 1 39 39 GLY H H 1 8.564 0.02 . 1 . . . A 39 GLY H . 25798 1 458 . 1 1 39 39 GLY HA2 H 1 3.723 0.02 . 1 . . . A 39 GLY HA2 . 25798 1 459 . 1 1 39 39 GLY HA3 H 1 4.295 0.02 . 1 . . . A 39 GLY HA3 . 25798 1 460 . 1 1 39 39 GLY C C 13 172.727 0.4 . 1 . . . A 39 GLY C . 25798 1 461 . 1 1 39 39 GLY CA C 13 45.893 0.4 . 1 . . . A 39 GLY CA . 25798 1 462 . 1 1 39 39 GLY N N 15 109.454 0.4 . 1 . . . A 39 GLY N . 25798 1 463 . 1 1 40 40 TRP H H 1 7.138 0.02 . 1 . . . A 40 TRP H . 25798 1 464 . 1 1 40 40 TRP HA H 1 5.289 0.02 . 1 . . . A 40 TRP HA . 25798 1 465 . 1 1 40 40 TRP HB2 H 1 3.487 0.02 . 1 . . . A 40 TRP HB2 . 25798 1 466 . 1 1 40 40 TRP HB3 H 1 3.487 0.02 . 1 . . . A 40 TRP HB3 . 25798 1 467 . 1 1 40 40 TRP HD1 H 1 7.283 0.02 . 1 . . . A 40 TRP HD1 . 25798 1 468 . 1 1 40 40 TRP HE1 H 1 10.485 0.02 . 1 . . . A 40 TRP HE1 . 25798 1 469 . 1 1 40 40 TRP HE3 H 1 7.412 0.02 . 1 . . . A 40 TRP HE3 . 25798 1 470 . 1 1 40 40 TRP HZ2 H 1 7.216 0.02 . 1 . . . A 40 TRP HZ2 . 25798 1 471 . 1 1 40 40 TRP HZ3 H 1 7.086 0.02 . 1 . . . A 40 TRP HZ3 . 25798 1 472 . 1 1 40 40 TRP HH2 H 1 7.136 0.02 . 1 . . . A 40 TRP HH2 . 25798 1 473 . 1 1 40 40 TRP C C 13 174.896 0.4 . 1 . . . A 40 TRP C . 25798 1 474 . 1 1 40 40 TRP CA C 13 54.11 0.4 . 1 . . . A 40 TRP CA . 25798 1 475 . 1 1 40 40 TRP CB C 13 32.037 0.4 . 1 . . . A 40 TRP CB . 25798 1 476 . 1 1 40 40 TRP CD1 C 13 128.844 0.4 . 1 . . . A 40 TRP CD1 . 25798 1 477 . 1 1 40 40 TRP CE3 C 13 120.623 0.4 . 1 . . . A 40 TRP CE3 . 25798 1 478 . 1 1 40 40 TRP CZ2 C 13 114.896 0.4 . 1 . . . A 40 TRP CZ2 . 25798 1 479 . 1 1 40 40 TRP CZ3 C 13 122.371 0.4 . 1 . . . A 40 TRP CZ3 . 25798 1 480 . 1 1 40 40 TRP CH2 C 13 124.64 0.4 . 1 . . . A 40 TRP CH2 . 25798 1 481 . 1 1 40 40 TRP N N 15 115.088 0.4 . 1 . . . A 40 TRP N . 25798 1 482 . 1 1 40 40 TRP NE1 N 15 129.448 0.4 . 1 . . . A 40 TRP NE1 . 25798 1 483 . 1 1 41 41 THR H H 1 9.755 0.02 . 1 . . . A 41 THR H . 25798 1 484 . 1 1 41 41 THR HA H 1 4.813 0.02 . 1 . . . A 41 THR HA . 25798 1 485 . 1 1 41 41 THR HB H 1 4.443 0.02 . 1 . . . A 41 THR HB . 25798 1 486 . 1 1 41 41 THR HG21 H 1 1.234 0.02 . 1 . . . A 41 THR HG21 . 25798 1 487 . 1 1 41 41 THR HG22 H 1 1.234 0.02 . 1 . . . A 41 THR HG22 . 25798 1 488 . 1 1 41 41 THR HG23 H 1 1.234 0.02 . 1 . . . A 41 THR HG23 . 25798 1 489 . 1 1 41 41 THR C C 13 176.219 0.4 . 1 . . . A 41 THR C . 25798 1 490 . 1 1 41 41 THR CA C 13 60.176 0.4 . 1 . . . A 41 THR CA . 25798 1 491 . 1 1 41 41 THR CB C 13 72.105 0.4 . 1 . . . A 41 THR CB . 25798 1 492 . 1 1 41 41 THR CG2 C 13 20.976 0.4 . 1 . . . A 41 THR CG2 . 25798 1 493 . 1 1 41 41 THR N N 15 113.116 0.4 . 1 . . . A 41 THR N . 25798 1 494 . 1 1 42 42 ASP H H 1 8.807 0.02 . 1 . . . A 42 ASP H . 25798 1 495 . 1 1 42 42 ASP HA H 1 4.697 0.02 . 1 . . . A 42 ASP HA . 25798 1 496 . 1 1 42 42 ASP HB2 H 1 2.762 0.02 . 1 . . . A 42 ASP HB2 . 25798 1 497 . 1 1 42 42 ASP HB3 H 1 2.825 0.02 . 1 . . . A 42 ASP HB3 . 25798 1 498 . 1 1 42 42 ASP C C 13 176.806 0.4 . 1 . . . A 42 ASP C . 25798 1 499 . 1 1 42 42 ASP CA C 13 57.687 0.4 . 1 . . . A 42 ASP CA . 25798 1 500 . 1 1 42 42 ASP CB C 13 40.912 0.4 . 1 . . . A 42 ASP CB . 25798 1 501 . 1 1 42 42 ASP N N 15 121.351 0.4 . 1 . . . A 42 ASP N . 25798 1 502 . 1 1 43 43 SER H H 1 7.892 0.02 . 1 . . . A 43 SER H . 25798 1 503 . 1 1 43 43 SER HA H 1 4.433 0.02 . 1 . . . A 43 SER HA . 25798 1 504 . 1 1 43 43 SER HB2 H 1 4.035 0.02 . 2 . . . A 43 SER HB2 . 25798 1 505 . 1 1 43 43 SER HB3 H 1 3.898 0.02 . 2 . . . A 43 SER HB3 . 25798 1 506 . 1 1 43 43 SER C C 13 175.031 0.4 . 1 . . . A 43 SER C . 25798 1 507 . 1 1 43 43 SER CA C 13 59.111 0.4 . 1 . . . A 43 SER CA . 25798 1 508 . 1 1 43 43 SER CB C 13 63.462 0.4 . 1 . . . A 43 SER CB . 25798 1 509 . 1 1 43 43 SER N N 15 110.381 0.4 . 1 . . . A 43 SER N . 25798 1 510 . 1 1 44 44 ASP H H 1 8.323 0.02 . 1 . . . A 44 ASP H . 25798 1 511 . 1 1 44 44 ASP HA H 1 5.124 0.02 . 1 . . . A 44 ASP HA . 25798 1 512 . 1 1 44 44 ASP HB2 H 1 3.215 0.02 . 1 . . . A 44 ASP HB2 . 25798 1 513 . 1 1 44 44 ASP HB3 H 1 2.695 0.02 . 1 . . . A 44 ASP HB3 . 25798 1 514 . 1 1 44 44 ASP CA C 13 53.181 0.4 . 1 . . . A 44 ASP CA . 25798 1 515 . 1 1 44 44 ASP CB C 13 42.233 0.4 . 1 . . . A 44 ASP CB . 25798 1 516 . 1 1 44 44 ASP N N 15 125.06 0.4 . 1 . . . A 44 ASP N . 25798 1 517 . 1 1 45 45 PRO HA H 1 4.106 0.02 . 1 . . . A 45 PRO HA . 25798 1 518 . 1 1 45 45 PRO HB2 H 1 1.231 0.02 . 1 . . . A 45 PRO HB2 . 25798 1 519 . 1 1 45 45 PRO HB3 H 1 1.231 0.02 . 1 . . . A 45 PRO HB3 . 25798 1 520 . 1 1 45 45 PRO HG2 H 1 1.87 0.02 . 1 . . . A 45 PRO HG2 . 25798 1 521 . 1 1 45 45 PRO HG3 H 1 1.87 0.02 . 1 . . . A 45 PRO HG3 . 25798 1 522 . 1 1 45 45 PRO HD2 H 1 4.225 0.02 . 2 . . . A 45 PRO HD2 . 25798 1 523 . 1 1 45 45 PRO HD3 H 1 3.997 0.02 . 2 . . . A 45 PRO HD3 . 25798 1 524 . 1 1 45 45 PRO CA C 13 62.299 0.4 . 1 . . . A 45 PRO CA . 25798 1 525 . 1 1 45 45 PRO CB C 13 32.484 0.4 . 1 . . . A 45 PRO CB . 25798 1 526 . 1 1 45 45 PRO CG C 13 27.273 0.4 . 1 . . . A 45 PRO CG . 25798 1 527 . 1 1 45 45 PRO CD C 13 51.173 0.4 . 1 . . . A 45 PRO CD . 25798 1 528 . 1 1 46 46 VAL HA H 1 3.762 0.02 . 1 . . . A 46 VAL HA . 25798 1 529 . 1 1 46 46 VAL HB H 1 1.467 0.02 . 1 . . . A 46 VAL HB . 25798 1 530 . 1 1 46 46 VAL HG11 H 1 0.516 0.02 . 1 . . . A 46 VAL HG11 . 25798 1 531 . 1 1 46 46 VAL HG12 H 1 0.516 0.02 . 1 . . . A 46 VAL HG12 . 25798 1 532 . 1 1 46 46 VAL HG13 H 1 0.516 0.02 . 1 . . . A 46 VAL HG13 . 25798 1 533 . 1 1 46 46 VAL HG21 H 1 0.457 0.02 . 1 . . . A 46 VAL HG21 . 25798 1 534 . 1 1 46 46 VAL HG22 H 1 0.457 0.02 . 1 . . . A 46 VAL HG22 . 25798 1 535 . 1 1 46 46 VAL HG23 H 1 0.457 0.02 . 1 . . . A 46 VAL HG23 . 25798 1 536 . 1 1 46 46 VAL C C 13 174.159 0.4 . 1 . . . A 46 VAL C . 25798 1 537 . 1 1 46 46 VAL CA C 13 60.748 0.4 . 1 . . . A 46 VAL CA . 25798 1 538 . 1 1 46 46 VAL CB C 13 31.827 0.4 . 1 . . . A 46 VAL CB . 25798 1 539 . 1 1 46 46 VAL CG1 C 13 21.052 0.4 . 1 . . . A 46 VAL CG1 . 25798 1 540 . 1 1 46 46 VAL CG2 C 13 20.204 0.4 . 1 . . . A 46 VAL CG2 . 25798 1 541 . 1 1 47 47 HIS H H 1 8.432 0.02 . 1 . . . A 47 HIS H . 25798 1 542 . 1 1 47 47 HIS HA H 1 5.281 0.02 . 1 . . . A 47 HIS HA . 25798 1 543 . 1 1 47 47 HIS HB2 H 1 3.305 0.02 . 2 . . . A 47 HIS HB2 . 25798 1 544 . 1 1 47 47 HIS HB3 H 1 2.615 0.02 . 2 . . . A 47 HIS HB3 . 25798 1 545 . 1 1 47 47 HIS HD2 H 1 6.679 0.02 . 1 . . . A 47 HIS HD2 . 25798 1 546 . 1 1 47 47 HIS HE1 H 1 7.674 0.02 . 1 . . . A 47 HIS HE1 . 25798 1 547 . 1 1 47 47 HIS C C 13 173.289 0.4 . 1 . . . A 47 HIS C . 25798 1 548 . 1 1 47 47 HIS CA C 13 54.36 0.4 . 1 . . . A 47 HIS CA . 25798 1 549 . 1 1 47 47 HIS CB C 13 33.222 0.4 . 1 . . . A 47 HIS CB . 25798 1 550 . 1 1 47 47 HIS CD2 C 13 118.499 0.4 . 1 . . . A 47 HIS CD2 . 25798 1 551 . 1 1 47 47 HIS CE1 C 13 137.847 0.4 . 1 . . . A 47 HIS CE1 . 25798 1 552 . 1 1 47 47 HIS N N 15 126.108 0.4 . 1 . . . A 47 HIS N . 25798 1 553 . 1 1 48 48 GLY H H 1 9.032 0.02 . 1 . . . A 48 GLY H . 25798 1 554 . 1 1 48 48 GLY HA2 H 1 4.813 0.02 . 1 . . . A 48 GLY HA2 . 25798 1 555 . 1 1 48 48 GLY HA3 H 1 3.271 0.02 . 1 . . . A 48 GLY HA3 . 25798 1 556 . 1 1 48 48 GLY C C 13 172.567 0.4 . 1 . . . A 48 GLY C . 25798 1 557 . 1 1 48 48 GLY CA C 13 43.389 0.4 . 1 . . . A 48 GLY CA . 25798 1 558 . 1 1 48 48 GLY N N 15 109.4 0.4 . 1 . . . A 48 GLY N . 25798 1 559 . 1 1 49 49 TYR H H 1 8.094 0.02 . 1 . . . A 49 TYR H . 25798 1 560 . 1 1 49 49 TYR HA H 1 4.964 0.02 . 1 . . . A 49 TYR HA . 25798 1 561 . 1 1 49 49 TYR HB2 H 1 2.62 0.02 . 1 . . . A 49 TYR HB2 . 25798 1 562 . 1 1 49 49 TYR HB3 H 1 2.335 0.02 . 1 . . . A 49 TYR HB3 . 25798 1 563 . 1 1 49 49 TYR HD1 H 1 6.761 0.02 . 1 . . . A 49 TYR HD1 . 25798 1 564 . 1 1 49 49 TYR HD2 H 1 6.761 0.02 . 1 . . . A 49 TYR HD2 . 25798 1 565 . 1 1 49 49 TYR HE1 H 1 6.481 0.02 . 1 . . . A 49 TYR HE1 . 25798 1 566 . 1 1 49 49 TYR HE2 H 1 6.481 0.02 . 1 . . . A 49 TYR HE2 . 25798 1 567 . 1 1 49 49 TYR C C 13 173.611 0.4 . 1 . . . A 49 TYR C . 25798 1 568 . 1 1 49 49 TYR CA C 13 56.153 0.4 . 1 . . . A 49 TYR CA . 25798 1 569 . 1 1 49 49 TYR CB C 13 44.595 0.4 . 1 . . . A 49 TYR CB . 25798 1 570 . 1 1 49 49 TYR CD2 C 13 132.723 0.4 . 1 . . . A 49 TYR CD2 . 25798 1 571 . 1 1 49 49 TYR CE2 C 13 119.31 0.4 . 1 . . . A 49 TYR CE2 . 25798 1 572 . 1 1 49 49 TYR N N 15 119.604 0.4 . 1 . . . A 49 TYR N . 25798 1 573 . 1 1 50 50 TRP H H 1 8.553 0.02 . 1 . . . A 50 TRP H . 25798 1 574 . 1 1 50 50 TRP HA H 1 5.428 0.02 . 1 . . . A 50 TRP HA . 25798 1 575 . 1 1 50 50 TRP HB2 H 1 2.694 0.02 . 1 . . . A 50 TRP HB2 . 25798 1 576 . 1 1 50 50 TRP HB3 H 1 2.961 0.02 . 1 . . . A 50 TRP HB3 . 25798 1 577 . 1 1 50 50 TRP HD1 H 1 6.77 0.02 . 1 . . . A 50 TRP HD1 . 25798 1 578 . 1 1 50 50 TRP HE1 H 1 9.667 0.02 . 1 . . . A 50 TRP HE1 . 25798 1 579 . 1 1 50 50 TRP HE3 H 1 7.495 0.02 . 1 . . . A 50 TRP HE3 . 25798 1 580 . 1 1 50 50 TRP HZ2 H 1 7.779 0.02 . 1 . . . A 50 TRP HZ2 . 25798 1 581 . 1 1 50 50 TRP HZ3 H 1 7.076 0.02 . 1 . . . A 50 TRP HZ3 . 25798 1 582 . 1 1 50 50 TRP HH2 H 1 6.939 0.02 . 1 . . . A 50 TRP HH2 . 25798 1 583 . 1 1 50 50 TRP C C 13 175.164 0.4 . 1 . . . A 50 TRP C . 25798 1 584 . 1 1 50 50 TRP CA C 13 56.766 0.4 . 1 . . . A 50 TRP CA . 25798 1 585 . 1 1 50 50 TRP CB C 13 32.382 0.4 . 1 . . . A 50 TRP CB . 25798 1 586 . 1 1 50 50 TRP CD1 C 13 123.692 0.4 . 1 . . . A 50 TRP CD1 . 25798 1 587 . 1 1 50 50 TRP CE3 C 13 120.101 0.4 . 1 . . . A 50 TRP CE3 . 25798 1 588 . 1 1 50 50 TRP CZ2 C 13 115.642 0.4 . 1 . . . A 50 TRP CZ2 . 25798 1 589 . 1 1 50 50 TRP CZ3 C 13 122.361 0.4 . 1 . . . A 50 TRP CZ3 . 25798 1 590 . 1 1 50 50 TRP CH2 C 13 124.021 0.4 . 1 . . . A 50 TRP CH2 . 25798 1 591 . 1 1 50 50 TRP N N 15 119.611 0.4 . 1 . . . A 50 TRP N . 25798 1 592 . 1 1 50 50 TRP NE1 N 15 126.415 0.4 . 1 . . . A 50 TRP NE1 . 25798 1 593 . 1 1 51 51 PHE H H 1 9.453 0.02 . 1 . . . A 51 PHE H . 25798 1 594 . 1 1 51 51 PHE HA H 1 4.797 0.02 . 1 . . . A 51 PHE HA . 25798 1 595 . 1 1 51 51 PHE HB2 H 1 2.809 0.02 . 1 . . . A 51 PHE HB2 . 25798 1 596 . 1 1 51 51 PHE HB3 H 1 1.116 0.02 . 1 . . . A 51 PHE HB3 . 25798 1 597 . 1 1 51 51 PHE HD1 H 1 6.944 0.02 . 1 . . . A 51 PHE HD1 . 25798 1 598 . 1 1 51 51 PHE HD2 H 1 6.944 0.02 . 1 . . . A 51 PHE HD2 . 25798 1 599 . 1 1 51 51 PHE HE1 H 1 6.852 0.02 . 1 . . . A 51 PHE HE1 . 25798 1 600 . 1 1 51 51 PHE HE2 H 1 6.852 0.02 . 1 . . . A 51 PHE HE2 . 25798 1 601 . 1 1 51 51 PHE HZ H 1 6.878 0.02 . 1 . . . A 51 PHE HZ . 25798 1 602 . 1 1 51 51 PHE C C 13 175.789 0.4 . 1 . . . A 51 PHE C . 25798 1 603 . 1 1 51 51 PHE CA C 13 56.872 0.4 . 1 . . . A 51 PHE CA . 25798 1 604 . 1 1 51 51 PHE CB C 13 43.935 0.4 . 1 . . . A 51 PHE CB . 25798 1 605 . 1 1 51 51 PHE CD2 C 13 131.639 0.4 . 1 . . . A 51 PHE CD2 . 25798 1 606 . 1 1 51 51 PHE CE2 C 13 131.674 0.4 . 1 . . . A 51 PHE CE2 . 25798 1 607 . 1 1 51 51 PHE CZ C 13 128.615 0.4 . 1 . . . A 51 PHE CZ . 25798 1 608 . 1 1 51 51 PHE N N 15 122.077 0.4 . 1 . . . A 51 PHE N . 25798 1 609 . 1 1 52 52 ARG H H 1 9.017 0.02 . 1 . . . A 52 ARG H . 25798 1 610 . 1 1 52 52 ARG HA H 1 4.202 0.02 . 1 . . . A 52 ARG HA . 25798 1 611 . 1 1 52 52 ARG HB2 H 1 1.692 0.02 . 1 . . . A 52 ARG HB2 . 25798 1 612 . 1 1 52 52 ARG HB3 H 1 1.799 0.02 . 1 . . . A 52 ARG HB3 . 25798 1 613 . 1 1 52 52 ARG HG2 H 1 1.708 0.02 . 1 . . . A 52 ARG HG2 . 25798 1 614 . 1 1 52 52 ARG HG3 H 1 1.556 0.02 . 1 . . . A 52 ARG HG3 . 25798 1 615 . 1 1 52 52 ARG HD2 H 1 3.13 0.02 . 1 . . . A 52 ARG HD2 . 25798 1 616 . 1 1 52 52 ARG HD3 H 1 3.13 0.02 . 1 . . . A 52 ARG HD3 . 25798 1 617 . 1 1 52 52 ARG HE H 1 7.473 0.02 . 1 . . . A 52 ARG HE . 25798 1 618 . 1 1 52 52 ARG C C 13 177.056 0.4 . 1 . . . A 52 ARG C . 25798 1 619 . 1 1 52 52 ARG CA C 13 56.998 0.4 . 1 . . . A 52 ARG CA . 25798 1 620 . 1 1 52 52 ARG CB C 13 30.364 0.4 . 1 . . . A 52 ARG CB . 25798 1 621 . 1 1 52 52 ARG CG C 13 28.107 0.4 . 1 . . . A 52 ARG CG . 25798 1 622 . 1 1 52 52 ARG CD C 13 43.476 0.4 . 1 . . . A 52 ARG CD . 25798 1 623 . 1 1 52 52 ARG N N 15 120.042 0.4 . 1 . . . A 52 ARG N . 25798 1 624 . 1 1 52 52 ARG NE N 15 84.666 0.4 . 1 . . . A 52 ARG NE . 25798 1 625 . 1 1 53 53 ALA H H 1 8.635 0.02 . 1 . . . A 53 ALA H . 25798 1 626 . 1 1 53 53 ALA HA H 1 4.344 0.02 . 1 . . . A 53 ALA HA . 25798 1 627 . 1 1 53 53 ALA HB1 H 1 1.332 0.02 . 1 . . . A 53 ALA HB1 . 25798 1 628 . 1 1 53 53 ALA HB2 H 1 1.332 0.02 . 1 . . . A 53 ALA HB2 . 25798 1 629 . 1 1 53 53 ALA HB3 H 1 1.332 0.02 . 1 . . . A 53 ALA HB3 . 25798 1 630 . 1 1 53 53 ALA C C 13 178.394 0.4 . 1 . . . A 53 ALA C . 25798 1 631 . 1 1 53 53 ALA CA C 13 54.588 0.4 . 1 . . . A 53 ALA CA . 25798 1 632 . 1 1 53 53 ALA CB C 13 18.451 0.4 . 1 . . . A 53 ALA CB . 25798 1 633 . 1 1 53 53 ALA N N 15 124.303 0.4 . 1 . . . A 53 ALA N . 25798 1 634 . 1 1 54 54 GLY HA2 H 1 4.134 0.02 . 2 . . . A 54 GLY HA2 . 25798 1 635 . 1 1 54 54 GLY HA3 H 1 3.786 0.02 . 2 . . . A 54 GLY HA3 . 25798 1 636 . 1 1 54 54 GLY C C 13 174.322 0.4 . 1 . . . A 54 GLY C . 25798 1 637 . 1 1 54 54 GLY CA C 13 45.077 0.4 . 1 . . . A 54 GLY CA . 25798 1 638 . 1 1 55 55 ASP H H 1 8.212 0.02 . 1 . . . A 55 ASP H . 25798 1 639 . 1 1 55 55 ASP HA H 1 4.855 0.02 . 1 . . . A 55 ASP HA . 25798 1 640 . 1 1 55 55 ASP HB2 H 1 3.248 0.02 . 2 . . . A 55 ASP HB2 . 25798 1 641 . 1 1 55 55 ASP HB3 H 1 2.508 0.02 . 2 . . . A 55 ASP HB3 . 25798 1 642 . 1 1 55 55 ASP C C 13 175.959 0.4 . 1 . . . A 55 ASP C . 25798 1 643 . 1 1 55 55 ASP CA C 13 54.148 0.4 . 1 . . . A 55 ASP CA . 25798 1 644 . 1 1 55 55 ASP CB C 13 41.189 0.4 . 1 . . . A 55 ASP CB . 25798 1 645 . 1 1 55 55 ASP N N 15 122.802 0.4 . 1 . . . A 55 ASP N . 25798 1 646 . 1 1 56 56 ARG H H 1 9.982 0.02 . 1 . . . A 56 ARG H . 25798 1 647 . 1 1 56 56 ARG HA H 1 4.562 0.02 . 1 . . . A 56 ARG HA . 25798 1 648 . 1 1 56 56 ARG HB2 H 1 1.971 0.02 . 2 . . . A 56 ARG HB2 . 25798 1 649 . 1 1 56 56 ARG HB3 H 1 1.931 0.02 . 2 . . . A 56 ARG HB3 . 25798 1 650 . 1 1 56 56 ARG HG2 H 1 1.586 0.02 . 1 . . . A 56 ARG HG2 . 25798 1 651 . 1 1 56 56 ARG HG3 H 1 1.586 0.02 . 1 . . . A 56 ARG HG3 . 25798 1 652 . 1 1 56 56 ARG HD2 H 1 3.182 0.02 . 2 . . . A 56 ARG HD2 . 25798 1 653 . 1 1 56 56 ARG HD3 H 1 3.037 0.02 . 2 . . . A 56 ARG HD3 . 25798 1 654 . 1 1 56 56 ARG C C 13 174.844 0.4 . 1 . . . A 56 ARG C . 25798 1 655 . 1 1 56 56 ARG CA C 13 52.526 0.4 . 1 . . . A 56 ARG CA . 25798 1 656 . 1 1 56 56 ARG CB C 13 30.598 0.4 . 1 . . . A 56 ARG CB . 25798 1 657 . 1 1 56 56 ARG CG C 13 25.956 0.4 . 1 . . . A 56 ARG CG . 25798 1 658 . 1 1 56 56 ARG CD C 13 43.215 0.4 . 1 . . . A 56 ARG CD . 25798 1 659 . 1 1 56 56 ARG N N 15 121.121 0.4 . 1 . . . A 56 ARG N . 25798 1 660 . 1 1 57 57 PRO HA H 1 3.573 0.02 . 1 . . . A 57 PRO HA . 25798 1 661 . 1 1 57 57 PRO HB2 H 1 1.168 0.02 . 1 . . . A 57 PRO HB2 . 25798 1 662 . 1 1 57 57 PRO HB3 H 1 1.35 0.02 . 1 . . . A 57 PRO HB3 . 25798 1 663 . 1 1 57 57 PRO HG2 H 1 1.513 0.02 . 1 . . . A 57 PRO HG2 . 25798 1 664 . 1 1 57 57 PRO HG3 H 1 0.641 0.02 . 1 . . . A 57 PRO HG3 . 25798 1 665 . 1 1 57 57 PRO HD2 H 1 3.604 0.02 . 1 . . . A 57 PRO HD2 . 25798 1 666 . 1 1 57 57 PRO HD3 H 1 3.471 0.02 . 1 . . . A 57 PRO HD3 . 25798 1 667 . 1 1 57 57 PRO C C 13 175.921 0.4 . 1 . . . A 57 PRO C . 25798 1 668 . 1 1 57 57 PRO CA C 13 64.11 0.4 . 1 . . . A 57 PRO CA . 25798 1 669 . 1 1 57 57 PRO CB C 13 31.205 0.4 . 1 . . . A 57 PRO CB . 25798 1 670 . 1 1 57 57 PRO CG C 13 26.929 0.4 . 1 . . . A 57 PRO CG . 25798 1 671 . 1 1 57 57 PRO CD C 13 50.815 0.4 . 1 . . . A 57 PRO CD . 25798 1 672 . 1 1 58 58 TYR H H 1 7.857 0.02 . 1 . . . A 58 TYR H . 25798 1 673 . 1 1 58 58 TYR HA H 1 4.336 0.02 . 1 . . . A 58 TYR HA . 25798 1 674 . 1 1 58 58 TYR HB2 H 1 3.107 0.02 . 1 . . . A 58 TYR HB2 . 25798 1 675 . 1 1 58 58 TYR HB3 H 1 3.032 0.02 . 1 . . . A 58 TYR HB3 . 25798 1 676 . 1 1 58 58 TYR HD1 H 1 7.019 0.02 . 1 . . . A 58 TYR HD1 . 25798 1 677 . 1 1 58 58 TYR HD2 H 1 7.019 0.02 . 1 . . . A 58 TYR HD2 . 25798 1 678 . 1 1 58 58 TYR HE1 H 1 6.76 0.02 . 1 . . . A 58 TYR HE1 . 25798 1 679 . 1 1 58 58 TYR HE2 H 1 6.76 0.02 . 1 . . . A 58 TYR HE2 . 25798 1 680 . 1 1 58 58 TYR C C 13 175.46 0.4 . 1 . . . A 58 TYR C . 25798 1 681 . 1 1 58 58 TYR CA C 13 58.62 0.4 . 1 . . . A 58 TYR CA . 25798 1 682 . 1 1 58 58 TYR CB C 13 36.825 0.4 . 1 . . . A 58 TYR CB . 25798 1 683 . 1 1 58 58 TYR CD2 C 13 132.949 0.4 . 1 . . . A 58 TYR CD2 . 25798 1 684 . 1 1 58 58 TYR CE2 C 13 118.388 0.4 . 1 . . . A 58 TYR CE2 . 25798 1 685 . 1 1 58 58 TYR N N 15 113.956 0.4 . 1 . . . A 58 TYR N . 25798 1 686 . 1 1 59 59 GLN H H 1 7.656 0.02 . 1 . . . A 59 GLN H . 25798 1 687 . 1 1 59 59 GLN HA H 1 4.438 0.02 . 1 . . . A 59 GLN HA . 25798 1 688 . 1 1 59 59 GLN HB2 H 1 1.876 0.02 . 1 . . . A 59 GLN HB2 . 25798 1 689 . 1 1 59 59 GLN HB3 H 1 1.832 0.02 . 1 . . . A 59 GLN HB3 . 25798 1 690 . 1 1 59 59 GLN HG2 H 1 2.166 0.02 . 1 . . . A 59 GLN HG2 . 25798 1 691 . 1 1 59 59 GLN HG3 H 1 2.166 0.02 . 1 . . . A 59 GLN HG3 . 25798 1 692 . 1 1 59 59 GLN HE21 H 1 7.662 0.02 . 1 . . . A 59 GLN HE21 . 25798 1 693 . 1 1 59 59 GLN HE22 H 1 6.809 0.02 . 1 . . . A 59 GLN HE22 . 25798 1 694 . 1 1 59 59 GLN C C 13 174.5 0.4 . 1 . . . A 59 GLN C . 25798 1 695 . 1 1 59 59 GLN CA C 13 57.117 0.4 . 1 . . . A 59 GLN CA . 25798 1 696 . 1 1 59 59 GLN CB C 13 32.103 0.4 . 1 . . . A 59 GLN CB . 25798 1 697 . 1 1 59 59 GLN CG C 13 33.977 0.4 . 1 . . . A 59 GLN CG . 25798 1 698 . 1 1 59 59 GLN N N 15 117.781 0.4 . 1 . . . A 59 GLN N . 25798 1 699 . 1 1 59 59 GLN NE2 N 15 112.19 0.4 . 1 . . . A 59 GLN NE2 . 25798 1 700 . 1 1 60 60 ASP H H 1 8.364 0.02 . 1 . . . A 60 ASP H . 25798 1 701 . 1 1 60 60 ASP HA H 1 4.891 0.02 . 1 . . . A 60 ASP HA . 25798 1 702 . 1 1 60 60 ASP HB2 H 1 2.463 0.02 . 1 . . . A 60 ASP HB2 . 25798 1 703 . 1 1 60 60 ASP HB3 H 1 2.685 0.02 . 1 . . . A 60 ASP HB3 . 25798 1 704 . 1 1 60 60 ASP C C 13 174.391 0.4 . 1 . . . A 60 ASP C . 25798 1 705 . 1 1 60 60 ASP CA C 13 53.715 0.4 . 1 . . . A 60 ASP CA . 25798 1 706 . 1 1 60 60 ASP CB C 13 43.506 0.4 . 1 . . . A 60 ASP CB . 25798 1 707 . 1 1 60 60 ASP N N 15 119.828 0.4 . 1 . . . A 60 ASP N . 25798 1 708 . 1 1 61 61 ALA H H 1 8.603 0.02 . 1 . . . A 61 ALA H . 25798 1 709 . 1 1 61 61 ALA HA H 1 4.729 0.02 . 1 . . . A 61 ALA HA . 25798 1 710 . 1 1 61 61 ALA HB1 H 1 1.321 0.02 . 1 . . . A 61 ALA HB1 . 25798 1 711 . 1 1 61 61 ALA HB2 H 1 1.321 0.02 . 1 . . . A 61 ALA HB2 . 25798 1 712 . 1 1 61 61 ALA HB3 H 1 1.321 0.02 . 1 . . . A 61 ALA HB3 . 25798 1 713 . 1 1 61 61 ALA C C 13 175.899 0.4 . 1 . . . A 61 ALA C . 25798 1 714 . 1 1 61 61 ALA CA C 13 50.234 0.4 . 1 . . . A 61 ALA CA . 25798 1 715 . 1 1 61 61 ALA CB C 13 17.598 0.4 . 1 . . . A 61 ALA CB . 25798 1 716 . 1 1 61 61 ALA N N 15 123.612 0.4 . 1 . . . A 61 ALA N . 25798 1 717 . 1 1 62 62 PRO HA H 1 3.957 0.02 . 1 . . . A 62 PRO HA . 25798 1 718 . 1 1 62 62 PRO HB2 H 1 0.896 0.02 . 1 . . . A 62 PRO HB2 . 25798 1 719 . 1 1 62 62 PRO HB3 H 1 0.841 0.02 . 1 . . . A 62 PRO HB3 . 25798 1 720 . 1 1 62 62 PRO HG2 H 1 1.727 0.02 . 1 . . . A 62 PRO HG2 . 25798 1 721 . 1 1 62 62 PRO HG3 H 1 1.727 0.02 . 1 . . . A 62 PRO HG3 . 25798 1 722 . 1 1 62 62 PRO HD2 H 1 4.35 0.02 . 1 . . . A 62 PRO HD2 . 25798 1 723 . 1 1 62 62 PRO HD3 H 1 3.557 0.02 . 1 . . . A 62 PRO HD3 . 25798 1 724 . 1 1 62 62 PRO C C 13 176.015 0.4 . 1 . . . A 62 PRO C . 25798 1 725 . 1 1 62 62 PRO CA C 13 62.303 0.4 . 1 . . . A 62 PRO CA . 25798 1 726 . 1 1 62 62 PRO CB C 13 31.524 0.4 . 1 . . . A 62 PRO CB . 25798 1 727 . 1 1 62 62 PRO CG C 13 26.883 0.4 . 1 . . . A 62 PRO CG . 25798 1 728 . 1 1 62 62 PRO CD C 13 49.318 0.4 . 1 . . . A 62 PRO CD . 25798 1 729 . 1 1 63 63 VAL H H 1 8.746 0.02 . 1 . . . A 63 VAL H . 25798 1 730 . 1 1 63 63 VAL HA H 1 4.181 0.02 . 1 . . . A 63 VAL HA . 25798 1 731 . 1 1 63 63 VAL HB H 1 1.679 0.02 . 1 . . . A 63 VAL HB . 25798 1 732 . 1 1 63 63 VAL HG11 H 1 0.891 0.02 . 1 . . . A 63 VAL HG11 . 25798 1 733 . 1 1 63 63 VAL HG12 H 1 0.891 0.02 . 1 . . . A 63 VAL HG12 . 25798 1 734 . 1 1 63 63 VAL HG13 H 1 0.891 0.02 . 1 . . . A 63 VAL HG13 . 25798 1 735 . 1 1 63 63 VAL HG21 H 1 0.81 0.02 . 1 . . . A 63 VAL HG21 . 25798 1 736 . 1 1 63 63 VAL HG22 H 1 0.81 0.02 . 1 . . . A 63 VAL HG22 . 25798 1 737 . 1 1 63 63 VAL HG23 H 1 0.81 0.02 . 1 . . . A 63 VAL HG23 . 25798 1 738 . 1 1 63 63 VAL C C 13 176.943 0.4 . 1 . . . A 63 VAL C . 25798 1 739 . 1 1 63 63 VAL CA C 13 62.183 0.4 . 1 . . . A 63 VAL CA . 25798 1 740 . 1 1 63 63 VAL CB C 13 31.602 0.4 . 1 . . . A 63 VAL CB . 25798 1 741 . 1 1 63 63 VAL CG1 C 13 22.971 0.4 . 1 . . . A 63 VAL CG1 . 25798 1 742 . 1 1 63 63 VAL CG2 C 13 19.642 0.4 . 1 . . . A 63 VAL CG2 . 25798 1 743 . 1 1 63 63 VAL N N 15 111.02 0.4 . 1 . . . A 63 VAL N . 25798 1 744 . 1 1 64 64 ALA H H 1 7.411 0.02 . 1 . . . A 64 ALA H . 25798 1 745 . 1 1 64 64 ALA HA H 1 4.742 0.02 . 1 . . . A 64 ALA HA . 25798 1 746 . 1 1 64 64 ALA HB1 H 1 1.312 0.02 . 1 . . . A 64 ALA HB1 . 25798 1 747 . 1 1 64 64 ALA HB2 H 1 1.312 0.02 . 1 . . . A 64 ALA HB2 . 25798 1 748 . 1 1 64 64 ALA HB3 H 1 1.312 0.02 . 1 . . . A 64 ALA HB3 . 25798 1 749 . 1 1 64 64 ALA C C 13 174.981 0.4 . 1 . . . A 64 ALA C . 25798 1 750 . 1 1 64 64 ALA CA C 13 51.69 0.4 . 1 . . . A 64 ALA CA . 25798 1 751 . 1 1 64 64 ALA CB C 13 22.79 0.4 . 1 . . . A 64 ALA CB . 25798 1 752 . 1 1 64 64 ALA N N 15 118.529 0.4 . 1 . . . A 64 ALA N . 25798 1 753 . 1 1 65 65 THR H H 1 9.201 0.02 . 1 . . . A 65 THR H . 25798 1 754 . 1 1 65 65 THR HA H 1 4.926 0.02 . 1 . . . A 65 THR HA . 25798 1 755 . 1 1 65 65 THR HB H 1 4.219 0.02 . 1 . . . A 65 THR HB . 25798 1 756 . 1 1 65 65 THR HG21 H 1 1.017 0.02 . 1 . . . A 65 THR HG21 . 25798 1 757 . 1 1 65 65 THR HG22 H 1 1.017 0.02 . 1 . . . A 65 THR HG22 . 25798 1 758 . 1 1 65 65 THR HG23 H 1 1.017 0.02 . 1 . . . A 65 THR HG23 . 25798 1 759 . 1 1 65 65 THR C C 13 170.548 0.4 . 1 . . . A 65 THR C . 25798 1 760 . 1 1 65 65 THR CA C 13 60.324 0.4 . 1 . . . A 65 THR CA . 25798 1 761 . 1 1 65 65 THR CB C 13 68.424 0.4 . 1 . . . A 65 THR CB . 25798 1 762 . 1 1 65 65 THR CG2 C 13 18.255 0.4 . 1 . . . A 65 THR CG2 . 25798 1 763 . 1 1 65 65 THR N N 15 115.877 0.4 . 1 . . . A 65 THR N . 25798 1 764 . 1 1 66 66 ASN H H 1 7.766 0.02 . 1 . . . A 66 ASN H . 25798 1 765 . 1 1 66 66 ASN HA H 1 5.024 0.02 . 1 . . . A 66 ASN HA . 25798 1 766 . 1 1 66 66 ASN HB2 H 1 3.371 0.02 . 2 . . . A 66 ASN HB2 . 25798 1 767 . 1 1 66 66 ASN HB3 H 1 2.742 0.02 . 2 . . . A 66 ASN HB3 . 25798 1 768 . 1 1 66 66 ASN HD21 H 1 7.163 0.02 . 1 . . . A 66 ASN HD21 . 25798 1 769 . 1 1 66 66 ASN C C 13 174.87 0.4 . 1 . . . A 66 ASN C . 25798 1 770 . 1 1 66 66 ASN CA C 13 52.584 0.4 . 1 . . . A 66 ASN CA . 25798 1 771 . 1 1 66 66 ASN CB C 13 38.231 0.4 . 1 . . . A 66 ASN CB . 25798 1 772 . 1 1 66 66 ASN N N 15 123.021 0.4 . 1 . . . A 66 ASN N . 25798 1 773 . 1 1 66 66 ASN ND2 N 15 111.169 0.4 . 1 . . . A 66 ASN ND2 . 25798 1 774 . 1 1 67 67 ASN H H 1 8.623 0.02 . 1 . . . A 67 ASN H . 25798 1 775 . 1 1 67 67 ASN HA H 1 4.58 0.02 . 1 . . . A 67 ASN HA . 25798 1 776 . 1 1 67 67 ASN HB2 H 1 2.884 0.02 . 2 . . . A 67 ASN HB2 . 25798 1 777 . 1 1 67 67 ASN HB3 H 1 1.816 0.02 . 2 . . . A 67 ASN HB3 . 25798 1 778 . 1 1 67 67 ASN HD21 H 1 6.922 0.02 . 1 . . . A 67 ASN HD21 . 25798 1 779 . 1 1 67 67 ASN HD22 H 1 7.193 0.02 . 1 . . . A 67 ASN HD22 . 25798 1 780 . 1 1 67 67 ASN C C 13 174.576 0.4 . 1 . . . A 67 ASN C . 25798 1 781 . 1 1 67 67 ASN CA C 13 49.894 0.4 . 1 . . . A 67 ASN CA . 25798 1 782 . 1 1 67 67 ASN CB C 13 38.295 0.4 . 1 . . . A 67 ASN CB . 25798 1 783 . 1 1 67 67 ASN N N 15 122.04 0.4 . 1 . . . A 67 ASN N . 25798 1 784 . 1 1 67 67 ASN ND2 N 15 110.526 0.4 . 1 . . . A 67 ASN ND2 . 25798 1 785 . 1 1 68 68 PRO HA H 1 4.374 0.02 . 1 . . . A 68 PRO HA . 25798 1 786 . 1 1 68 68 PRO HB2 H 1 2.022 0.02 . 1 . . . A 68 PRO HB2 . 25798 1 787 . 1 1 68 68 PRO HB3 H 1 2.311 0.02 . 1 . . . A 68 PRO HB3 . 25798 1 788 . 1 1 68 68 PRO HG2 H 1 1.98 0.02 . 1 . . . A 68 PRO HG2 . 25798 1 789 . 1 1 68 68 PRO HG3 H 1 2.078 0.02 . 1 . . . A 68 PRO HG3 . 25798 1 790 . 1 1 68 68 PRO HD2 H 1 3.921 0.02 . 1 . . . A 68 PRO HD2 . 25798 1 791 . 1 1 68 68 PRO HD3 H 1 4.24 0.02 . 1 . . . A 68 PRO HD3 . 25798 1 792 . 1 1 68 68 PRO C C 13 176.767 0.4 . 1 . . . A 68 PRO C . 25798 1 793 . 1 1 68 68 PRO CA C 13 63.951 0.4 . 1 . . . A 68 PRO CA . 25798 1 794 . 1 1 68 68 PRO CB C 13 32.123 0.4 . 1 . . . A 68 PRO CB . 25798 1 795 . 1 1 68 68 PRO CG C 13 26.837 0.4 . 1 . . . A 68 PRO CG . 25798 1 796 . 1 1 68 68 PRO CD C 13 51.144 0.4 . 1 . . . A 68 PRO CD . 25798 1 797 . 1 1 69 69 ASP H H 1 7.56 0.02 . 1 . . . A 69 ASP H . 25798 1 798 . 1 1 69 69 ASP HA H 1 4.682 0.02 . 1 . . . A 69 ASP HA . 25798 1 799 . 1 1 69 69 ASP HB2 H 1 2.415 0.02 . 1 . . . A 69 ASP HB2 . 25798 1 800 . 1 1 69 69 ASP HB3 H 1 2.818 0.02 . 1 . . . A 69 ASP HB3 . 25798 1 801 . 1 1 69 69 ASP C C 13 175.181 0.4 . 1 . . . A 69 ASP C . 25798 1 802 . 1 1 69 69 ASP CA C 13 54.364 0.4 . 1 . . . A 69 ASP CA . 25798 1 803 . 1 1 69 69 ASP CB C 13 41.557 0.4 . 1 . . . A 69 ASP CB . 25798 1 804 . 1 1 69 69 ASP N N 15 116.113 0.4 . 1 . . . A 69 ASP N . 25798 1 805 . 1 1 70 70 ARG H H 1 7.126 0.02 . 1 . . . A 70 ARG H . 25798 1 806 . 1 1 70 70 ARG HA H 1 4.573 0.02 . 1 . . . A 70 ARG HA . 25798 1 807 . 1 1 70 70 ARG HB2 H 1 1.985 0.02 . 2 . . . A 70 ARG HB2 . 25798 1 808 . 1 1 70 70 ARG HB3 H 1 1.584 0.02 . 2 . . . A 70 ARG HB3 . 25798 1 809 . 1 1 70 70 ARG HG2 H 1 1.686 0.02 . 2 . . . A 70 ARG HG2 . 25798 1 810 . 1 1 70 70 ARG HG3 H 1 1.537 0.02 . 2 . . . A 70 ARG HG3 . 25798 1 811 . 1 1 70 70 ARG HD2 H 1 3.358 0.02 . 2 . . . A 70 ARG HD2 . 25798 1 812 . 1 1 70 70 ARG HD3 H 1 3.321 0.02 . 2 . . . A 70 ARG HD3 . 25798 1 813 . 1 1 70 70 ARG HE H 1 7.763 0.02 . 1 . . . A 70 ARG HE . 25798 1 814 . 1 1 70 70 ARG C C 13 173.72 0.4 . 1 . . . A 70 ARG C . 25798 1 815 . 1 1 70 70 ARG CA C 13 52.754 0.4 . 1 . . . A 70 ARG CA . 25798 1 816 . 1 1 70 70 ARG CB C 13 31.07 0.4 . 1 . . . A 70 ARG CB . 25798 1 817 . 1 1 70 70 ARG CG C 13 26.792 0.4 . 1 . . . A 70 ARG CG . 25798 1 818 . 1 1 70 70 ARG CD C 13 41.636 0.4 . 1 . . . A 70 ARG CD . 25798 1 819 . 1 1 70 70 ARG N N 15 120.917 0.4 . 1 . . . A 70 ARG N . 25798 1 820 . 1 1 70 70 ARG NE N 15 83.731 0.4 . 1 . . . A 70 ARG NE . 25798 1 821 . 1 1 71 71 GLU H H 1 8.549 0.02 . 1 . . . A 71 GLU H . 25798 1 822 . 1 1 71 71 GLU HA H 1 4.212 0.02 . 1 . . . A 71 GLU HA . 25798 1 823 . 1 1 71 71 GLU HB2 H 1 1.956 0.02 . 1 . . . A 71 GLU HB2 . 25798 1 824 . 1 1 71 71 GLU HB3 H 1 1.956 0.02 . 1 . . . A 71 GLU HB3 . 25798 1 825 . 1 1 71 71 GLU HG2 H 1 2.345 0.02 . 1 . . . A 71 GLU HG2 . 25798 1 826 . 1 1 71 71 GLU HG3 H 1 2.289 0.02 . 1 . . . A 71 GLU HG3 . 25798 1 827 . 1 1 71 71 GLU C C 13 176.262 0.4 . 1 . . . A 71 GLU C . 25798 1 828 . 1 1 71 71 GLU CA C 13 56.692 0.4 . 1 . . . A 71 GLU CA . 25798 1 829 . 1 1 71 71 GLU CB C 13 30.369 0.4 . 1 . . . A 71 GLU CB . 25798 1 830 . 1 1 71 71 GLU CG C 13 36.356 0.4 . 1 . . . A 71 GLU CG . 25798 1 831 . 1 1 71 71 GLU N N 15 126.432 0.4 . 1 . . . A 71 GLU N . 25798 1 832 . 1 1 72 72 VAL H H 1 8.021 0.02 . 1 . . . A 72 VAL H . 25798 1 833 . 1 1 72 72 VAL HA H 1 4.585 0.02 . 1 . . . A 72 VAL HA . 25798 1 834 . 1 1 72 72 VAL HB H 1 1.952 0.02 . 1 . . . A 72 VAL HB . 25798 1 835 . 1 1 72 72 VAL HG11 H 1 0.84 0.02 . 1 . . . A 72 VAL HG11 . 25798 1 836 . 1 1 72 72 VAL HG12 H 1 0.84 0.02 . 1 . . . A 72 VAL HG12 . 25798 1 837 . 1 1 72 72 VAL HG13 H 1 0.84 0.02 . 1 . . . A 72 VAL HG13 . 25798 1 838 . 1 1 72 72 VAL HG21 H 1 0.866 0.02 . 1 . . . A 72 VAL HG21 . 25798 1 839 . 1 1 72 72 VAL HG22 H 1 0.866 0.02 . 1 . . . A 72 VAL HG22 . 25798 1 840 . 1 1 72 72 VAL HG23 H 1 0.866 0.02 . 1 . . . A 72 VAL HG23 . 25798 1 841 . 1 1 72 72 VAL C C 13 176.773 0.4 . 1 . . . A 72 VAL C . 25798 1 842 . 1 1 72 72 VAL CA C 13 59.452 0.4 . 1 . . . A 72 VAL CA . 25798 1 843 . 1 1 72 72 VAL CB C 13 34.454 0.4 . 1 . . . A 72 VAL CB . 25798 1 844 . 1 1 72 72 VAL CG1 C 13 22.032 0.4 . 1 . . . A 72 VAL CG1 . 25798 1 845 . 1 1 72 72 VAL CG2 C 13 19.047 0.4 . 1 . . . A 72 VAL CG2 . 25798 1 846 . 1 1 72 72 VAL N N 15 115.754 0.4 . 1 . . . A 72 VAL N . 25798 1 847 . 1 1 73 73 GLN H H 1 7.829 0.02 . 1 . . . A 73 GLN H . 25798 1 848 . 1 1 73 73 GLN HA H 1 3.841 0.02 . 1 . . . A 73 GLN HA . 25798 1 849 . 1 1 73 73 GLN HB2 H 1 2.207 0.02 . 2 . . . A 73 GLN HB2 . 25798 1 850 . 1 1 73 73 GLN HB3 H 1 2.055 0.02 . 2 . . . A 73 GLN HB3 . 25798 1 851 . 1 1 73 73 GLN HG2 H 1 2.219 0.02 . 1 . . . A 73 GLN HG2 . 25798 1 852 . 1 1 73 73 GLN HG3 H 1 2.281 0.02 . 1 . . . A 73 GLN HG3 . 25798 1 853 . 1 1 73 73 GLN HE21 H 1 7.951 0.02 . 1 . . . A 73 GLN HE21 . 25798 1 854 . 1 1 73 73 GLN HE22 H 1 6.919 0.02 . 1 . . . A 73 GLN HE22 . 25798 1 855 . 1 1 73 73 GLN C C 13 176.889 0.4 . 1 . . . A 73 GLN C . 25798 1 856 . 1 1 73 73 GLN CA C 13 56.589 0.4 . 1 . . . A 73 GLN CA . 25798 1 857 . 1 1 73 73 GLN CB C 13 27.567 0.4 . 1 . . . A 73 GLN CB . 25798 1 858 . 1 1 73 73 GLN CG C 13 33.09 0.4 . 1 . . . A 73 GLN CG . 25798 1 859 . 1 1 73 73 GLN N N 15 121.383 0.4 . 1 . . . A 73 GLN N . 25798 1 860 . 1 1 73 73 GLN NE2 N 15 112.879 0.4 . 1 . . . A 73 GLN NE2 . 25798 1 861 . 1 1 74 74 ALA H H 1 8.894 0.02 . 1 . . . A 74 ALA H . 25798 1 862 . 1 1 74 74 ALA HA H 1 4.05 0.02 . 1 . . . A 74 ALA HA . 25798 1 863 . 1 1 74 74 ALA HB1 H 1 1.474 0.02 . 1 . . . A 74 ALA HB1 . 25798 1 864 . 1 1 74 74 ALA HB2 H 1 1.474 0.02 . 1 . . . A 74 ALA HB2 . 25798 1 865 . 1 1 74 74 ALA HB3 H 1 1.474 0.02 . 1 . . . A 74 ALA HB3 . 25798 1 866 . 1 1 74 74 ALA C C 13 181.066 0.4 . 1 . . . A 74 ALA C . 25798 1 867 . 1 1 74 74 ALA CA C 13 55.44 0.4 . 1 . . . A 74 ALA CA . 25798 1 868 . 1 1 74 74 ALA CB C 13 18.205 0.4 . 1 . . . A 74 ALA CB . 25798 1 869 . 1 1 74 74 ALA N N 15 128.525 0.4 . 1 . . . A 74 ALA N . 25798 1 870 . 1 1 75 75 GLU H H 1 8.93 0.02 . 1 . . . A 75 GLU H . 25798 1 871 . 1 1 75 75 GLU HA H 1 4.171 0.02 . 1 . . . A 75 GLU HA . 25798 1 872 . 1 1 75 75 GLU HB2 H 1 2.016 0.02 . 1 . . . A 75 GLU HB2 . 25798 1 873 . 1 1 75 75 GLU HB3 H 1 2.016 0.02 . 1 . . . A 75 GLU HB3 . 25798 1 874 . 1 1 75 75 GLU HG2 H 1 2.327 0.02 . 1 . . . A 75 GLU HG2 . 25798 1 875 . 1 1 75 75 GLU HG3 H 1 2.327 0.02 . 1 . . . A 75 GLU HG3 . 25798 1 876 . 1 1 75 75 GLU C C 13 177.282 0.4 . 1 . . . A 75 GLU C . 25798 1 877 . 1 1 75 75 GLU CA C 13 58.616 0.4 . 1 . . . A 75 GLU CA . 25798 1 878 . 1 1 75 75 GLU CB C 13 30.049 0.4 . 1 . . . A 75 GLU CB . 25798 1 879 . 1 1 75 75 GLU CG C 13 37.194 0.4 . 1 . . . A 75 GLU CG . 25798 1 880 . 1 1 75 75 GLU N N 15 112.732 0.4 . 1 . . . A 75 GLU N . 25798 1 881 . 1 1 76 76 THR H H 1 7.416 0.02 . 1 . . . A 76 THR H . 25798 1 882 . 1 1 76 76 THR HA H 1 4.262 0.02 . 1 . . . A 76 THR HA . 25798 1 883 . 1 1 76 76 THR HB H 1 3.873 0.02 . 1 . . . A 76 THR HB . 25798 1 884 . 1 1 76 76 THR HG21 H 1 0.349 0.02 . 1 . . . A 76 THR HG21 . 25798 1 885 . 1 1 76 76 THR HG22 H 1 0.349 0.02 . 1 . . . A 76 THR HG22 . 25798 1 886 . 1 1 76 76 THR HG23 H 1 0.349 0.02 . 1 . . . A 76 THR HG23 . 25798 1 887 . 1 1 76 76 THR C C 13 175.002 0.4 . 1 . . . A 76 THR C . 25798 1 888 . 1 1 76 76 THR CA C 13 62.346 0.4 . 1 . . . A 76 THR CA . 25798 1 889 . 1 1 76 76 THR CB C 13 68.805 0.4 . 1 . . . A 76 THR CB . 25798 1 890 . 1 1 76 76 THR CG2 C 13 21.683 0.4 . 1 . . . A 76 THR CG2 . 25798 1 891 . 1 1 76 76 THR N N 15 106.408 0.4 . 1 . . . A 76 THR N . 25798 1 892 . 1 1 77 77 GLN H H 1 7.513 0.02 . 1 . . . A 77 GLN H . 25798 1 893 . 1 1 77 77 GLN HA H 1 4.168 0.02 . 1 . . . A 77 GLN HA . 25798 1 894 . 1 1 77 77 GLN HB2 H 1 2.083 0.02 . 1 . . . A 77 GLN HB2 . 25798 1 895 . 1 1 77 77 GLN HB3 H 1 2.083 0.02 . 1 . . . A 77 GLN HB3 . 25798 1 896 . 1 1 77 77 GLN HG2 H 1 2.396 0.02 . 1 . . . A 77 GLN HG2 . 25798 1 897 . 1 1 77 77 GLN HG3 H 1 2.396 0.02 . 1 . . . A 77 GLN HG3 . 25798 1 898 . 1 1 77 77 GLN HE21 H 1 7.449 0.02 . 2 . . . A 77 GLN HE21 . 25798 1 899 . 1 1 77 77 GLN HE22 H 1 6.894 0.02 . 2 . . . A 77 GLN HE22 . 25798 1 900 . 1 1 77 77 GLN C C 13 177.398 0.4 . 1 . . . A 77 GLN C . 25798 1 901 . 1 1 77 77 GLN CA C 13 57.809 0.4 . 1 . . . A 77 GLN CA . 25798 1 902 . 1 1 77 77 GLN CB C 13 28.32 0.4 . 1 . . . A 77 GLN CB . 25798 1 903 . 1 1 77 77 GLN CG C 13 33.317 0.4 . 1 . . . A 77 GLN CG . 25798 1 904 . 1 1 77 77 GLN N N 15 125.479 0.4 . 1 . . . A 77 GLN N . 25798 1 905 . 1 1 77 77 GLN NE2 N 15 111.369 0.4 . 1 . . . A 77 GLN NE2 . 25798 1 906 . 1 1 78 78 GLY H H 1 9.342 0.02 . 1 . . . A 78 GLY H . 25798 1 907 . 1 1 78 78 GLY HA2 H 1 4.267 0.02 . 2 . . . A 78 GLY HA2 . 25798 1 908 . 1 1 78 78 GLY HA3 H 1 3.729 0.02 . 2 . . . A 78 GLY HA3 . 25798 1 909 . 1 1 78 78 GLY C C 13 174.258 0.4 . 1 . . . A 78 GLY C . 25798 1 910 . 1 1 78 78 GLY CA C 13 46.053 0.4 . 1 . . . A 78 GLY CA . 25798 1 911 . 1 1 78 78 GLY N N 15 116.036 0.4 . 1 . . . A 78 GLY N . 25798 1 912 . 1 1 79 79 ARG H H 1 7.975 0.02 . 1 . . . A 79 ARG H . 25798 1 913 . 1 1 79 79 ARG HA H 1 4.477 0.02 . 1 . . . A 79 ARG HA . 25798 1 914 . 1 1 79 79 ARG HB2 H 1 2.497 0.02 . 1 . . . A 79 ARG HB2 . 25798 1 915 . 1 1 79 79 ARG HB3 H 1 1.736 0.02 . 1 . . . A 79 ARG HB3 . 25798 1 916 . 1 1 79 79 ARG HG2 H 1 1.401 0.02 . 1 . . . A 79 ARG HG2 . 25798 1 917 . 1 1 79 79 ARG HG3 H 1 1.401 0.02 . 1 . . . A 79 ARG HG3 . 25798 1 918 . 1 1 79 79 ARG HD2 H 1 3.633 0.02 . 1 . . . A 79 ARG HD2 . 25798 1 919 . 1 1 79 79 ARG HD3 H 1 3.371 0.02 . 1 . . . A 79 ARG HD3 . 25798 1 920 . 1 1 79 79 ARG HE H 1 6.67 0.02 . 1 . . . A 79 ARG HE . 25798 1 921 . 1 1 79 79 ARG HH11 H 1 6.163 0.02 . 2 . . . A 79 ARG HH11 . 25798 1 922 . 1 1 79 79 ARG HH12 H 1 10.273 0.02 . 2 . . . A 79 ARG HH12 . 25798 1 923 . 1 1 79 79 ARG HH21 H 1 6.54 0.02 . 2 . . . A 79 ARG HH21 . 25798 1 924 . 1 1 79 79 ARG HH22 H 1 9.601 0.02 . 2 . . . A 79 ARG HH22 . 25798 1 925 . 1 1 79 79 ARG C C 13 176.257 0.4 . 1 . . . A 79 ARG C . 25798 1 926 . 1 1 79 79 ARG CA C 13 57.89 0.4 . 1 . . . A 79 ARG CA . 25798 1 927 . 1 1 79 79 ARG CB C 13 31.087 0.4 . 1 . . . A 79 ARG CB . 25798 1 928 . 1 1 79 79 ARG CG C 13 29.757 0.4 . 1 . . . A 79 ARG CG . 25798 1 929 . 1 1 79 79 ARG CD C 13 42.309 0.4 . 1 . . . A 79 ARG CD . 25798 1 930 . 1 1 79 79 ARG N N 15 118.159 0.4 . 1 . . . A 79 ARG N . 25798 1 931 . 1 1 79 79 ARG NE N 15 81.454 0.4 . 1 . . . A 79 ARG NE . 25798 1 932 . 1 1 80 80 PHE H H 1 8.105 0.02 . 1 . . . A 80 PHE H . 25798 1 933 . 1 1 80 80 PHE HA H 1 5.397 0.02 . 1 . . . A 80 PHE HA . 25798 1 934 . 1 1 80 80 PHE HB2 H 1 3.281 0.02 . 1 . . . A 80 PHE HB2 . 25798 1 935 . 1 1 80 80 PHE HB3 H 1 2.318 0.02 . 1 . . . A 80 PHE HB3 . 25798 1 936 . 1 1 80 80 PHE HD1 H 1 6.789 0.02 . 1 . . . A 80 PHE HD1 . 25798 1 937 . 1 1 80 80 PHE HD2 H 1 6.789 0.02 . 1 . . . A 80 PHE HD2 . 25798 1 938 . 1 1 80 80 PHE HE1 H 1 6.808 0.02 . 1 . . . A 80 PHE HE1 . 25798 1 939 . 1 1 80 80 PHE HE2 H 1 6.808 0.02 . 1 . . . A 80 PHE HE2 . 25798 1 940 . 1 1 80 80 PHE HZ H 1 6.982 0.02 . 1 . . . A 80 PHE HZ . 25798 1 941 . 1 1 80 80 PHE C C 13 175.677 0.4 . 1 . . . A 80 PHE C . 25798 1 942 . 1 1 80 80 PHE CA C 13 55.855 0.4 . 1 . . . A 80 PHE CA . 25798 1 943 . 1 1 80 80 PHE CB C 13 39.652 0.4 . 1 . . . A 80 PHE CB . 25798 1 944 . 1 1 80 80 PHE CD1 C 13 129.508 0.4 . 1 . . . A 80 PHE CD1 . 25798 1 945 . 1 1 80 80 PHE CE1 C 13 131.822 0.4 . 1 . . . A 80 PHE CE1 . 25798 1 946 . 1 1 80 80 PHE CZ C 13 130.142 0.4 . 1 . . . A 80 PHE CZ . 25798 1 947 . 1 1 80 80 PHE N N 15 121.429 0.4 . 1 . . . A 80 PHE N . 25798 1 948 . 1 1 81 81 GLN H H 1 9.195 0.02 . 1 . . . A 81 GLN H . 25798 1 949 . 1 1 81 81 GLN HA H 1 4.783 0.02 . 1 . . . A 81 GLN HA . 25798 1 950 . 1 1 81 81 GLN HB2 H 1 1.9 0.02 . 1 . . . A 81 GLN HB2 . 25798 1 951 . 1 1 81 81 GLN HB3 H 1 1.809 0.02 . 1 . . . A 81 GLN HB3 . 25798 1 952 . 1 1 81 81 GLN HG2 H 1 2.104 0.02 . 1 . . . A 81 GLN HG2 . 25798 1 953 . 1 1 81 81 GLN HG3 H 1 2.072 0.02 . 1 . . . A 81 GLN HG3 . 25798 1 954 . 1 1 81 81 GLN HE21 H 1 7.469 0.02 . 1 . . . A 81 GLN HE21 . 25798 1 955 . 1 1 81 81 GLN HE22 H 1 6.822 0.02 . 1 . . . A 81 GLN HE22 . 25798 1 956 . 1 1 81 81 GLN C C 13 174.111 0.4 . 1 . . . A 81 GLN C . 25798 1 957 . 1 1 81 81 GLN CA C 13 54.317 0.4 . 1 . . . A 81 GLN CA . 25798 1 958 . 1 1 81 81 GLN CB C 13 33.135 0.4 . 1 . . . A 81 GLN CB . 25798 1 959 . 1 1 81 81 GLN CG C 13 33.87 0.4 . 1 . . . A 81 GLN CG . 25798 1 960 . 1 1 81 81 GLN N N 15 121.696 0.4 . 1 . . . A 81 GLN N . 25798 1 961 . 1 1 81 81 GLN NE2 N 15 111.356 0.4 . 1 . . . A 81 GLN NE2 . 25798 1 962 . 1 1 82 82 LEU H H 1 9.2 0.02 . 1 . . . A 82 LEU H . 25798 1 963 . 1 1 82 82 LEU HA H 1 4.83 0.02 . 1 . . . A 82 LEU HA . 25798 1 964 . 1 1 82 82 LEU HB2 H 1 1.887 0.02 . 1 . . . A 82 LEU HB2 . 25798 1 965 . 1 1 82 82 LEU HB3 H 1 1.276 0.02 . 1 . . . A 82 LEU HB3 . 25798 1 966 . 1 1 82 82 LEU HG H 1 1.684 0.02 . 1 . . . A 82 LEU HG . 25798 1 967 . 1 1 82 82 LEU HD11 H 1 1.008 0.02 . 1 . . . A 82 LEU HD11 . 25798 1 968 . 1 1 82 82 LEU HD12 H 1 1.008 0.02 . 1 . . . A 82 LEU HD12 . 25798 1 969 . 1 1 82 82 LEU HD13 H 1 1.008 0.02 . 1 . . . A 82 LEU HD13 . 25798 1 970 . 1 1 82 82 LEU HD21 H 1 1.011 0.02 . 1 . . . A 82 LEU HD21 . 25798 1 971 . 1 1 82 82 LEU HD22 H 1 1.011 0.02 . 1 . . . A 82 LEU HD22 . 25798 1 972 . 1 1 82 82 LEU HD23 H 1 1.011 0.02 . 1 . . . A 82 LEU HD23 . 25798 1 973 . 1 1 82 82 LEU C C 13 176.03 0.4 . 1 . . . A 82 LEU C . 25798 1 974 . 1 1 82 82 LEU CA C 13 54.376 0.4 . 1 . . . A 82 LEU CA . 25798 1 975 . 1 1 82 82 LEU CB C 13 42.093 0.4 . 1 . . . A 82 LEU CB . 25798 1 976 . 1 1 82 82 LEU CG C 13 27.954 0.4 . 1 . . . A 82 LEU CG . 25798 1 977 . 1 1 82 82 LEU CD1 C 13 25.699 0.4 . 1 . . . A 82 LEU CD1 . 25798 1 978 . 1 1 82 82 LEU CD2 C 13 25.827 0.4 . 1 . . . A 82 LEU CD2 . 25798 1 979 . 1 1 82 82 LEU N N 15 127.922 0.4 . 1 . . . A 82 LEU N . 25798 1 980 . 1 1 83 83 LEU H H 1 8.377 0.02 . 1 . . . A 83 LEU H . 25798 1 981 . 1 1 83 83 LEU HA H 1 4.293 0.02 . 1 . . . A 83 LEU HA . 25798 1 982 . 1 1 83 83 LEU HB2 H 1 1.538 0.02 . 1 . . . A 83 LEU HB2 . 25798 1 983 . 1 1 83 83 LEU HB3 H 1 1.448 0.02 . 1 . . . A 83 LEU HB3 . 25798 1 984 . 1 1 83 83 LEU HG H 1 1.422 0.02 . 1 . . . A 83 LEU HG . 25798 1 985 . 1 1 83 83 LEU HD11 H 1 0.743 0.02 . 1 . . . A 83 LEU HD11 . 25798 1 986 . 1 1 83 83 LEU HD12 H 1 0.743 0.02 . 1 . . . A 83 LEU HD12 . 25798 1 987 . 1 1 83 83 LEU HD13 H 1 0.743 0.02 . 1 . . . A 83 LEU HD13 . 25798 1 988 . 1 1 83 83 LEU HD21 H 1 0.707 0.02 . 1 . . . A 83 LEU HD21 . 25798 1 989 . 1 1 83 83 LEU HD22 H 1 0.707 0.02 . 1 . . . A 83 LEU HD22 . 25798 1 990 . 1 1 83 83 LEU HD23 H 1 0.707 0.02 . 1 . . . A 83 LEU HD23 . 25798 1 991 . 1 1 83 83 LEU C C 13 177.985 0.4 . 1 . . . A 83 LEU C . 25798 1 992 . 1 1 83 83 LEU CA C 13 55.276 0.4 . 1 . . . A 83 LEU CA . 25798 1 993 . 1 1 83 83 LEU CB C 13 42.837 0.4 . 1 . . . A 83 LEU CB . 25798 1 994 . 1 1 83 83 LEU CG C 13 26.827 0.4 . 1 . . . A 83 LEU CG . 25798 1 995 . 1 1 83 83 LEU CD1 C 13 25.163 0.4 . 1 . . . A 83 LEU CD1 . 25798 1 996 . 1 1 83 83 LEU CD2 C 13 22.691 0.4 . 1 . . . A 83 LEU CD2 . 25798 1 997 . 1 1 83 83 LEU N N 15 125.754 0.4 . 1 . . . A 83 LEU N . 25798 1 998 . 1 1 84 84 GLY H H 1 8.028 0.02 . 1 . . . A 84 GLY H . 25798 1 999 . 1 1 84 84 GLY C C 13 173.356 0.4 . 1 . . . A 84 GLY C . 25798 1 1000 . 1 1 84 84 GLY CA C 13 45.341 0.4 . 1 . . . A 84 GLY CA . 25798 1 1001 . 1 1 84 84 GLY N N 15 107.608 0.4 . 1 . . . A 84 GLY N . 25798 1 1002 . 1 1 85 85 ASP H H 1 8.566 0.02 . 1 . . . A 85 ASP H . 25798 1 1003 . 1 1 85 85 ASP HB2 H 1 2.895 0.02 . 2 . . . A 85 ASP HB2 . 25798 1 1004 . 1 1 85 85 ASP HB3 H 1 2.725 0.02 . 2 . . . A 85 ASP HB3 . 25798 1 1005 . 1 1 85 85 ASP C C 13 177.702 0.4 . 1 . . . A 85 ASP C . 25798 1 1006 . 1 1 85 85 ASP CA C 13 52.764 0.4 . 1 . . . A 85 ASP CA . 25798 1 1007 . 1 1 85 85 ASP CB C 13 41.198 0.4 . 1 . . . A 85 ASP CB . 25798 1 1008 . 1 1 85 85 ASP N N 15 120.875 0.4 . 1 . . . A 85 ASP N . 25798 1 1009 . 1 1 86 86 ILE HA H 1 4.261 0.02 . 1 . . . A 86 ILE HA . 25798 1 1010 . 1 1 86 86 ILE HB H 1 1.835 0.02 . 1 . . . A 86 ILE HB . 25798 1 1011 . 1 1 86 86 ILE HG12 H 1 1.283 0.02 . 1 . . . A 86 ILE HG12 . 25798 1 1012 . 1 1 86 86 ILE HG13 H 1 1.283 0.02 . 1 . . . A 86 ILE HG13 . 25798 1 1013 . 1 1 86 86 ILE HG21 H 1 0.844 0.02 . 1 . . . A 86 ILE HG21 . 25798 1 1014 . 1 1 86 86 ILE HG22 H 1 0.844 0.02 . 1 . . . A 86 ILE HG22 . 25798 1 1015 . 1 1 86 86 ILE HG23 H 1 0.844 0.02 . 1 . . . A 86 ILE HG23 . 25798 1 1016 . 1 1 86 86 ILE HD11 H 1 0.778 0.02 . 1 . . . A 86 ILE HD11 . 25798 1 1017 . 1 1 86 86 ILE HD12 H 1 0.778 0.02 . 1 . . . A 86 ILE HD12 . 25798 1 1018 . 1 1 86 86 ILE HD13 H 1 0.778 0.02 . 1 . . . A 86 ILE HD13 . 25798 1 1019 . 1 1 86 86 ILE C C 13 176.353 0.4 . 1 . . . A 86 ILE C . 25798 1 1020 . 1 1 86 86 ILE CA C 13 62.659 0.4 . 1 . . . A 86 ILE CA . 25798 1 1021 . 1 1 86 86 ILE CB C 13 37.121 0.4 . 1 . . . A 86 ILE CB . 25798 1 1022 . 1 1 86 86 ILE CG1 C 13 26.325 0.4 . 1 . . . A 86 ILE CG1 . 25798 1 1023 . 1 1 86 86 ILE CG2 C 13 17.947 0.4 . 1 . . . A 86 ILE CG2 . 25798 1 1024 . 1 1 86 86 ILE CD1 C 13 12.988 0.4 . 1 . . . A 86 ILE CD1 . 25798 1 1025 . 1 1 87 87 TRP H H 1 8.049 0.02 . 1 . . . A 87 TRP H . 25798 1 1026 . 1 1 87 87 TRP HA H 1 4.693 0.02 . 1 . . . A 87 TRP HA . 25798 1 1027 . 1 1 87 87 TRP HB2 H 1 3.52 0.02 . 2 . . . A 87 TRP HB2 . 25798 1 1028 . 1 1 87 87 TRP HB3 H 1 3.336 0.02 . 2 . . . A 87 TRP HB3 . 25798 1 1029 . 1 1 87 87 TRP HD1 H 1 7.321 0.02 . 1 . . . A 87 TRP HD1 . 25798 1 1030 . 1 1 87 87 TRP HE1 H 1 10.223 0.02 . 1 . . . A 87 TRP HE1 . 25798 1 1031 . 1 1 87 87 TRP HE3 H 1 7.701 0.02 . 1 . . . A 87 TRP HE3 . 25798 1 1032 . 1 1 87 87 TRP HZ2 H 1 7.515 0.02 . 1 . . . A 87 TRP HZ2 . 25798 1 1033 . 1 1 87 87 TRP HZ3 H 1 7.094 0.02 . 1 . . . A 87 TRP HZ3 . 25798 1 1034 . 1 1 87 87 TRP HH2 H 1 7.198 0.02 . 1 . . . A 87 TRP HH2 . 25798 1 1035 . 1 1 87 87 TRP C C 13 176.903 0.4 . 1 . . . A 87 TRP C . 25798 1 1036 . 1 1 87 87 TRP CA C 13 57.716 0.4 . 1 . . . A 87 TRP CA . 25798 1 1037 . 1 1 87 87 TRP CB C 13 28.752 0.4 . 1 . . . A 87 TRP CB . 25798 1 1038 . 1 1 87 87 TRP CD1 C 13 127.484 0.4 . 1 . . . A 87 TRP CD1 . 25798 1 1039 . 1 1 87 87 TRP CE3 C 13 121.311 0.4 . 1 . . . A 87 TRP CE3 . 25798 1 1040 . 1 1 87 87 TRP CZ2 C 13 114.127 0.4 . 1 . . . A 87 TRP CZ2 . 25798 1 1041 . 1 1 87 87 TRP CZ3 C 13 122.382 0.4 . 1 . . . A 87 TRP CZ3 . 25798 1 1042 . 1 1 87 87 TRP CH2 C 13 124.591 0.4 . 1 . . . A 87 TRP CH2 . 25798 1 1043 . 1 1 87 87 TRP N N 15 119.814 0.4 . 1 . . . A 87 TRP N . 25798 1 1044 . 1 1 87 87 TRP NE1 N 15 129.098 0.4 . 1 . . . A 87 TRP NE1 . 25798 1 1045 . 1 1 88 88 SER H H 1 7.71 0.02 . 1 . . . A 88 SER H . 25798 1 1046 . 1 1 88 88 SER HA H 1 4.707 0.02 . 1 . . . A 88 SER HA . 25798 1 1047 . 1 1 88 88 SER HB2 H 1 4.065 0.02 . 1 . . . A 88 SER HB2 . 25798 1 1048 . 1 1 88 88 SER HB3 H 1 3.916 0.02 . 1 . . . A 88 SER HB3 . 25798 1 1049 . 1 1 88 88 SER C C 13 173 0.4 . 1 . . . A 88 SER C . 25798 1 1050 . 1 1 88 88 SER CA C 13 57.49 0.4 . 1 . . . A 88 SER CA . 25798 1 1051 . 1 1 88 88 SER CB C 13 64.472 0.4 . 1 . . . A 88 SER CB . 25798 1 1052 . 1 1 88 88 SER N N 15 116.63 0.4 . 1 . . . A 88 SER N . 25798 1 1053 . 1 1 89 89 ASN H H 1 7.874 0.02 . 1 . . . A 89 ASN H . 25798 1 1054 . 1 1 89 89 ASN HA H 1 3.764 0.02 . 1 . . . A 89 ASN HA . 25798 1 1055 . 1 1 89 89 ASN HB2 H 1 2.797 0.02 . 2 . . . A 89 ASN HB2 . 25798 1 1056 . 1 1 89 89 ASN HB3 H 1 2.688 0.02 . 2 . . . A 89 ASN HB3 . 25798 1 1057 . 1 1 89 89 ASN HD21 H 1 7.273 0.02 . 2 . . . A 89 ASN HD21 . 25798 1 1058 . 1 1 89 89 ASN HD22 H 1 6.502 0.02 . 2 . . . A 89 ASN HD22 . 25798 1 1059 . 1 1 89 89 ASN C C 13 172.974 0.4 . 1 . . . A 89 ASN C . 25798 1 1060 . 1 1 89 89 ASN CA C 13 53.666 0.4 . 1 . . . A 89 ASN CA . 25798 1 1061 . 1 1 89 89 ASN CB C 13 34.725 0.4 . 1 . . . A 89 ASN CB . 25798 1 1062 . 1 1 89 89 ASN N N 15 117.308 0.4 . 1 . . . A 89 ASN N . 25798 1 1063 . 1 1 89 89 ASN ND2 N 15 112.2 0.4 . 1 . . . A 89 ASN ND2 . 25798 1 1064 . 1 1 90 90 ASP H H 1 7.266 0.02 . 1 . . . A 90 ASP H . 25798 1 1065 . 1 1 90 90 ASP HA H 1 5.029 0.02 . 1 . . . A 90 ASP HA . 25798 1 1066 . 1 1 90 90 ASP HB2 H 1 3.003 0.02 . 1 . . . A 90 ASP HB2 . 25798 1 1067 . 1 1 90 90 ASP HB3 H 1 2.424 0.02 . 1 . . . A 90 ASP HB3 . 25798 1 1068 . 1 1 90 90 ASP C C 13 175.568 0.4 . 1 . . . A 90 ASP C . 25798 1 1069 . 1 1 90 90 ASP CA C 13 53.337 0.4 . 1 . . . A 90 ASP CA . 25798 1 1070 . 1 1 90 90 ASP CB C 13 42.49 0.4 . 1 . . . A 90 ASP CB . 25798 1 1071 . 1 1 90 90 ASP N N 15 118.118 0.4 . 1 . . . A 90 ASP N . 25798 1 1072 . 1 1 91 91 CYS H H 1 8.104 0.02 . 1 . . . A 91 CYS H . 25798 1 1073 . 1 1 91 91 CYS HA H 1 4.587 0.02 . 1 . . . A 91 CYS HA . 25798 1 1074 . 1 1 91 91 CYS HB2 H 1 2.637 0.02 . 1 . . . A 91 CYS HB2 . 25798 1 1075 . 1 1 91 91 CYS HB3 H 1 2.637 0.02 . 1 . . . A 91 CYS HB3 . 25798 1 1076 . 1 1 91 91 CYS C C 13 174.011 0.4 . 1 . . . A 91 CYS C . 25798 1 1077 . 1 1 91 91 CYS CA C 13 53.567 0.4 . 1 . . . A 91 CYS CA . 25798 1 1078 . 1 1 91 91 CYS CB C 13 42.124 0.4 . 1 . . . A 91 CYS CB . 25798 1 1079 . 1 1 91 91 CYS N N 15 119.886 0.4 . 1 . . . A 91 CYS N . 25798 1 1080 . 1 1 92 92 SER H H 1 8.932 0.02 . 1 . . . A 92 SER H . 25798 1 1081 . 1 1 92 92 SER HA H 1 4.5 0.02 . 1 . . . A 92 SER HA . 25798 1 1082 . 1 1 92 92 SER HB2 H 1 3.596 0.02 . 1 . . . A 92 SER HB2 . 25798 1 1083 . 1 1 92 92 SER HB3 H 1 3.819 0.02 . 1 . . . A 92 SER HB3 . 25798 1 1084 . 1 1 92 92 SER C C 13 172.018 0.4 . 1 . . . A 92 SER C . 25798 1 1085 . 1 1 92 92 SER CA C 13 61.64 0.4 . 1 . . . A 92 SER CA . 25798 1 1086 . 1 1 92 92 SER CB C 13 63.382 0.4 . 1 . . . A 92 SER CB . 25798 1 1087 . 1 1 92 92 SER N N 15 118.864 0.4 . 1 . . . A 92 SER N . 25798 1 1088 . 1 1 93 93 LEU H H 1 7.951 0.02 . 1 . . . A 93 LEU H . 25798 1 1089 . 1 1 93 93 LEU HA H 1 4.812 0.02 . 1 . . . A 93 LEU HA . 25798 1 1090 . 1 1 93 93 LEU HB2 H 1 0.894 0.02 . 1 . . . A 93 LEU HB2 . 25798 1 1091 . 1 1 93 93 LEU HB3 H 1 0.645 0.02 . 1 . . . A 93 LEU HB3 . 25798 1 1092 . 1 1 93 93 LEU HG H 1 0.67 0.02 . 1 . . . A 93 LEU HG . 25798 1 1093 . 1 1 93 93 LEU HD11 H 1 0.126 0.02 . 1 . . . A 93 LEU HD11 . 25798 1 1094 . 1 1 93 93 LEU HD12 H 1 0.126 0.02 . 1 . . . A 93 LEU HD12 . 25798 1 1095 . 1 1 93 93 LEU HD13 H 1 0.126 0.02 . 1 . . . A 93 LEU HD13 . 25798 1 1096 . 1 1 93 93 LEU HD21 H 1 -0.531 0.02 . 1 . . . A 93 LEU HD21 . 25798 1 1097 . 1 1 93 93 LEU HD22 H 1 -0.531 0.02 . 1 . . . A 93 LEU HD22 . 25798 1 1098 . 1 1 93 93 LEU HD23 H 1 -0.531 0.02 . 1 . . . A 93 LEU HD23 . 25798 1 1099 . 1 1 93 93 LEU C C 13 174.185 0.4 . 1 . . . A 93 LEU C . 25798 1 1100 . 1 1 93 93 LEU CA C 13 52.677 0.4 . 1 . . . A 93 LEU CA . 25798 1 1101 . 1 1 93 93 LEU CB C 13 46.064 0.4 . 1 . . . A 93 LEU CB . 25798 1 1102 . 1 1 93 93 LEU CG C 13 26.255 0.4 . 1 . . . A 93 LEU CG . 25798 1 1103 . 1 1 93 93 LEU CD1 C 13 22.345 0.4 . 1 . . . A 93 LEU CD1 . 25798 1 1104 . 1 1 93 93 LEU CD2 C 13 24.017 0.4 . 1 . . . A 93 LEU CD2 . 25798 1 1105 . 1 1 93 93 LEU N N 15 126.359 0.4 . 1 . . . A 93 LEU N . 25798 1 1106 . 1 1 94 94 SER H H 1 8.902 0.02 . 1 . . . A 94 SER H . 25798 1 1107 . 1 1 94 94 SER HA H 1 5.1 0.02 . 1 . . . A 94 SER HA . 25798 1 1108 . 1 1 94 94 SER HB2 H 1 3.675 0.02 . 1 . . . A 94 SER HB2 . 25798 1 1109 . 1 1 94 94 SER HB3 H 1 3.675 0.02 . 1 . . . A 94 SER HB3 . 25798 1 1110 . 1 1 94 94 SER C C 13 173.142 0.4 . 1 . . . A 94 SER C . 25798 1 1111 . 1 1 94 94 SER CA C 13 56.342 0.4 . 1 . . . A 94 SER CA . 25798 1 1112 . 1 1 94 94 SER CB C 13 64.69 0.4 . 1 . . . A 94 SER CB . 25798 1 1113 . 1 1 94 94 SER N N 15 120.219 0.4 . 1 . . . A 94 SER N . 25798 1 1114 . 1 1 95 95 ILE H H 1 8.444 0.02 . 1 . . . A 95 ILE H . 25798 1 1115 . 1 1 95 95 ILE HA H 1 4.031 0.02 . 1 . . . A 95 ILE HA . 25798 1 1116 . 1 1 95 95 ILE HB H 1 1.171 0.02 . 1 . . . A 95 ILE HB . 25798 1 1117 . 1 1 95 95 ILE HG12 H 1 0.518 0.02 . 1 . . . A 95 ILE HG12 . 25798 1 1118 . 1 1 95 95 ILE HG13 H 1 -1.05 0.02 . 1 . . . A 95 ILE HG13 . 25798 1 1119 . 1 1 95 95 ILE HG21 H 1 0.185 0.02 . 1 . . . A 95 ILE HG21 . 25798 1 1120 . 1 1 95 95 ILE HG22 H 1 0.185 0.02 . 1 . . . A 95 ILE HG22 . 25798 1 1121 . 1 1 95 95 ILE HG23 H 1 0.185 0.02 . 1 . . . A 95 ILE HG23 . 25798 1 1122 . 1 1 95 95 ILE HD11 H 1 -0.097 0.02 . 1 . . . A 95 ILE HD11 . 25798 1 1123 . 1 1 95 95 ILE HD12 H 1 -0.097 0.02 . 1 . . . A 95 ILE HD12 . 25798 1 1124 . 1 1 95 95 ILE HD13 H 1 -0.097 0.02 . 1 . . . A 95 ILE HD13 . 25798 1 1125 . 1 1 95 95 ILE C C 13 174.42 0.4 . 1 . . . A 95 ILE C . 25798 1 1126 . 1 1 95 95 ILE CA C 13 60.897 0.4 . 1 . . . A 95 ILE CA . 25798 1 1127 . 1 1 95 95 ILE CB C 13 40.47 0.4 . 1 . . . A 95 ILE CB . 25798 1 1128 . 1 1 95 95 ILE CG1 C 13 25.346 0.4 . 1 . . . A 95 ILE CG1 . 25798 1 1129 . 1 1 95 95 ILE CG2 C 13 15.523 0.4 . 1 . . . A 95 ILE CG2 . 25798 1 1130 . 1 1 95 95 ILE CD1 C 13 13.302 0.4 . 1 . . . A 95 ILE CD1 . 25798 1 1131 . 1 1 95 95 ILE N N 15 125.126 0.4 . 1 . . . A 95 ILE N . 25798 1 1132 . 1 1 96 96 ARG H H 1 8.182 0.02 . 1 . . . A 96 ARG H . 25798 1 1133 . 1 1 96 96 ARG HA H 1 4.728 0.02 . 1 . . . A 96 ARG HA . 25798 1 1134 . 1 1 96 96 ARG HB2 H 1 1.714 0.02 . 1 . . . A 96 ARG HB2 . 25798 1 1135 . 1 1 96 96 ARG HB3 H 1 1.714 0.02 . 1 . . . A 96 ARG HB3 . 25798 1 1136 . 1 1 96 96 ARG HG2 H 1 1.545 0.02 . 1 . . . A 96 ARG HG2 . 25798 1 1137 . 1 1 96 96 ARG HG3 H 1 1.545 0.02 . 1 . . . A 96 ARG HG3 . 25798 1 1138 . 1 1 96 96 ARG HD2 H 1 3.15 0.02 . 1 . . . A 96 ARG HD2 . 25798 1 1139 . 1 1 96 96 ARG HD3 H 1 3.15 0.02 . 1 . . . A 96 ARG HD3 . 25798 1 1140 . 1 1 96 96 ARG C C 13 174.266 0.4 . 1 . . . A 96 ARG C . 25798 1 1141 . 1 1 96 96 ARG CA C 13 53.591 0.4 . 1 . . . A 96 ARG CA . 25798 1 1142 . 1 1 96 96 ARG CB C 13 32.712 0.4 . 1 . . . A 96 ARG CB . 25798 1 1143 . 1 1 96 96 ARG CG C 13 27.235 0.4 . 1 . . . A 96 ARG CG . 25798 1 1144 . 1 1 96 96 ARG CD C 13 43.354 0.4 . 1 . . . A 96 ARG CD . 25798 1 1145 . 1 1 96 96 ARG N N 15 125.539 0.4 . 1 . . . A 96 ARG N . 25798 1 1146 . 1 1 97 97 ASP H H 1 7.783 0.02 . 1 . . . A 97 ASP H . 25798 1 1147 . 1 1 97 97 ASP HA H 1 3.82 0.02 . 1 . . . A 97 ASP HA . 25798 1 1148 . 1 1 97 97 ASP HB2 H 1 2.349 0.02 . 1 . . . A 97 ASP HB2 . 25798 1 1149 . 1 1 97 97 ASP HB3 H 1 2.822 0.02 . 1 . . . A 97 ASP HB3 . 25798 1 1150 . 1 1 97 97 ASP C C 13 175.387 0.4 . 1 . . . A 97 ASP C . 25798 1 1151 . 1 1 97 97 ASP CA C 13 53.916 0.4 . 1 . . . A 97 ASP CA . 25798 1 1152 . 1 1 97 97 ASP CB C 13 39.43 0.4 . 1 . . . A 97 ASP CB . 25798 1 1153 . 1 1 97 97 ASP N N 15 119.37 0.4 . 1 . . . A 97 ASP N . 25798 1 1154 . 1 1 98 98 ALA H H 1 8.265 0.02 . 1 . . . A 98 ALA H . 25798 1 1155 . 1 1 98 98 ALA HA H 1 3.786 0.02 . 1 . . . A 98 ALA HA . 25798 1 1156 . 1 1 98 98 ALA HB1 H 1 1.146 0.02 . 1 . . . A 98 ALA HB1 . 25798 1 1157 . 1 1 98 98 ALA HB2 H 1 1.146 0.02 . 1 . . . A 98 ALA HB2 . 25798 1 1158 . 1 1 98 98 ALA HB3 H 1 1.146 0.02 . 1 . . . A 98 ALA HB3 . 25798 1 1159 . 1 1 98 98 ALA C C 13 178.108 0.4 . 1 . . . A 98 ALA C . 25798 1 1160 . 1 1 98 98 ALA CA C 13 53.714 0.4 . 1 . . . A 98 ALA CA . 25798 1 1161 . 1 1 98 98 ALA CB C 13 19.444 0.4 . 1 . . . A 98 ALA CB . 25798 1 1162 . 1 1 98 98 ALA N N 15 118.37 0.4 . 1 . . . A 98 ALA N . 25798 1 1163 . 1 1 99 99 ARG H H 1 9.181 0.02 . 1 . . . A 99 ARG H . 25798 1 1164 . 1 1 99 99 ARG HA H 1 4.929 0.02 . 1 . . . A 99 ARG HA . 25798 1 1165 . 1 1 99 99 ARG HB2 H 1 2.128 0.02 . 2 . . . A 99 ARG HB2 . 25798 1 1166 . 1 1 99 99 ARG HB3 H 1 1.555 0.02 . 2 . . . A 99 ARG HB3 . 25798 1 1167 . 1 1 99 99 ARG HG2 H 1 1.894 0.02 . 1 . . . A 99 ARG HG2 . 25798 1 1168 . 1 1 99 99 ARG HG3 H 1 1.856 0.02 . 1 . . . A 99 ARG HG3 . 25798 1 1169 . 1 1 99 99 ARG HD2 H 1 3.192 0.02 . 1 . . . A 99 ARG HD2 . 25798 1 1170 . 1 1 99 99 ARG HD3 H 1 3.192 0.02 . 1 . . . A 99 ARG HD3 . 25798 1 1171 . 1 1 99 99 ARG HE H 1 6.912 0.02 . 1 . . . A 99 ARG HE . 25798 1 1172 . 1 1 99 99 ARG C C 13 177.538 0.4 . 1 . . . A 99 ARG C . 25798 1 1173 . 1 1 99 99 ARG CA C 13 53.186 0.4 . 1 . . . A 99 ARG CA . 25798 1 1174 . 1 1 99 99 ARG CB C 13 33.547 0.4 . 1 . . . A 99 ARG CB . 25798 1 1175 . 1 1 99 99 ARG CG C 13 26.397 0.4 . 1 . . . A 99 ARG CG . 25798 1 1176 . 1 1 99 99 ARG CD C 13 43.63 0.4 . 1 . . . A 99 ARG CD . 25798 1 1177 . 1 1 99 99 ARG N N 15 122.501 0.4 . 1 . . . A 99 ARG N . 25798 1 1178 . 1 1 99 99 ARG NE N 15 85.226 0.4 . 1 . . . A 99 ARG NE . 25798 1 1179 . 1 1 100 100 LYS H H 1 9.275 0.02 . 1 . . . A 100 LYS H . 25798 1 1180 . 1 1 100 100 LYS HA H 1 3.705 0.02 . 1 . . . A 100 LYS HA . 25798 1 1181 . 1 1 100 100 LYS HB2 H 1 1.808 0.02 . 1 . . . A 100 LYS HB2 . 25798 1 1182 . 1 1 100 100 LYS HB3 H 1 1.808 0.02 . 1 . . . A 100 LYS HB3 . 25798 1 1183 . 1 1 100 100 LYS HG2 H 1 1.579 0.02 . 2 . . . A 100 LYS HG2 . 25798 1 1184 . 1 1 100 100 LYS HG3 H 1 1.309 0.02 . 2 . . . A 100 LYS HG3 . 25798 1 1185 . 1 1 100 100 LYS HD2 H 1 1.697 0.02 . 1 . . . A 100 LYS HD2 . 25798 1 1186 . 1 1 100 100 LYS HD3 H 1 1.697 0.02 . 1 . . . A 100 LYS HD3 . 25798 1 1187 . 1 1 100 100 LYS HE2 H 1 2.991 0.02 . 1 . . . A 100 LYS HE2 . 25798 1 1188 . 1 1 100 100 LYS HE3 H 1 2.991 0.02 . 1 . . . A 100 LYS HE3 . 25798 1 1189 . 1 1 100 100 LYS C C 13 179.616 0.4 . 1 . . . A 100 LYS C . 25798 1 1190 . 1 1 100 100 LYS CA C 13 61.166 0.4 . 1 . . . A 100 LYS CA . 25798 1 1191 . 1 1 100 100 LYS CB C 13 31.883 0.4 . 1 . . . A 100 LYS CB . 25798 1 1192 . 1 1 100 100 LYS CG C 13 25.791 0.4 . 1 . . . A 100 LYS CG . 25798 1 1193 . 1 1 100 100 LYS CD C 13 29.36 0.4 . 1 . . . A 100 LYS CD . 25798 1 1194 . 1 1 100 100 LYS CE C 13 41.606 0.4 . 1 . . . A 100 LYS CE . 25798 1 1195 . 1 1 100 100 LYS N N 15 123.115 0.4 . 1 . . . A 100 LYS N . 25798 1 1196 . 1 1 101 101 ARG H H 1 8.103 0.02 . 1 . . . A 101 ARG H . 25798 1 1197 . 1 1 101 101 ARG HA H 1 4.204 0.02 . 1 . . . A 101 ARG HA . 25798 1 1198 . 1 1 101 101 ARG HB2 H 1 1.94 0.02 . 2 . . . A 101 ARG HB2 . 25798 1 1199 . 1 1 101 101 ARG HB3 H 1 1.837 0.02 . 2 . . . A 101 ARG HB3 . 25798 1 1200 . 1 1 101 101 ARG HG2 H 1 1.684 0.02 . 1 . . . A 101 ARG HG2 . 25798 1 1201 . 1 1 101 101 ARG HG3 H 1 1.684 0.02 . 1 . . . A 101 ARG HG3 . 25798 1 1202 . 1 1 101 101 ARG HD2 H 1 3.176 0.02 . 1 . . . A 101 ARG HD2 . 25798 1 1203 . 1 1 101 101 ARG HD3 H 1 3.176 0.02 . 1 . . . A 101 ARG HD3 . 25798 1 1204 . 1 1 101 101 ARG C C 13 175.832 0.4 . 1 . . . A 101 ARG C . 25798 1 1205 . 1 1 101 101 ARG CA C 13 57.315 0.4 . 1 . . . A 101 ARG CA . 25798 1 1206 . 1 1 101 101 ARG CB C 13 29.185 0.4 . 1 . . . A 101 ARG CB . 25798 1 1207 . 1 1 101 101 ARG CG C 13 27.244 0.4 . 1 . . . A 101 ARG CG . 25798 1 1208 . 1 1 101 101 ARG CD C 13 42.984 0.4 . 1 . . . A 101 ARG CD . 25798 1 1209 . 1 1 101 101 ARG N N 15 114.446 0.4 . 1 . . . A 101 ARG N . 25798 1 1210 . 1 1 102 102 ASP H H 1 8.208 0.02 . 1 . . . A 102 ASP H . 25798 1 1211 . 1 1 102 102 ASP HA H 1 4.538 0.02 . 1 . . . A 102 ASP HA . 25798 1 1212 . 1 1 102 102 ASP HB2 H 1 2.962 0.02 . 1 . . . A 102 ASP HB2 . 25798 1 1213 . 1 1 102 102 ASP HB3 H 1 2.713 0.02 . 1 . . . A 102 ASP HB3 . 25798 1 1214 . 1 1 102 102 ASP C C 13 177.37 0.4 . 1 . . . A 102 ASP C . 25798 1 1215 . 1 1 102 102 ASP CA C 13 55.317 0.4 . 1 . . . A 102 ASP CA . 25798 1 1216 . 1 1 102 102 ASP CB C 13 40.736 0.4 . 1 . . . A 102 ASP CB . 25798 1 1217 . 1 1 102 102 ASP N N 15 119.048 0.4 . 1 . . . A 102 ASP N . 25798 1 1218 . 1 1 103 103 LYS H H 1 7.356 0.02 . 1 . . . A 103 LYS H . 25798 1 1219 . 1 1 103 103 LYS HA H 1 4.229 0.02 . 1 . . . A 103 LYS HA . 25798 1 1220 . 1 1 103 103 LYS HB2 H 1 1.872 0.02 . 1 . . . A 103 LYS HB2 . 25798 1 1221 . 1 1 103 103 LYS HB3 H 1 1.951 0.02 . 1 . . . A 103 LYS HB3 . 25798 1 1222 . 1 1 103 103 LYS HG2 H 1 1.649 0.02 . 1 . . . A 103 LYS HG2 . 25798 1 1223 . 1 1 103 103 LYS HG3 H 1 1.536 0.02 . 1 . . . A 103 LYS HG3 . 25798 1 1224 . 1 1 103 103 LYS HD2 H 1 1.707 0.02 . 1 . . . A 103 LYS HD2 . 25798 1 1225 . 1 1 103 103 LYS HD3 H 1 1.774 0.02 . 1 . . . A 103 LYS HD3 . 25798 1 1226 . 1 1 103 103 LYS HE2 H 1 2.953 0.02 . 1 . . . A 103 LYS HE2 . 25798 1 1227 . 1 1 103 103 LYS HE3 H 1 2.953 0.02 . 1 . . . A 103 LYS HE3 . 25798 1 1228 . 1 1 103 103 LYS C C 13 175.646 0.4 . 1 . . . A 103 LYS C . 25798 1 1229 . 1 1 103 103 LYS CA C 13 56.907 0.4 . 1 . . . A 103 LYS CA . 25798 1 1230 . 1 1 103 103 LYS CB C 13 32.979 0.4 . 1 . . . A 103 LYS CB . 25798 1 1231 . 1 1 103 103 LYS CG C 13 24.691 0.4 . 1 . . . A 103 LYS CG . 25798 1 1232 . 1 1 103 103 LYS CD C 13 29.781 0.4 . 1 . . . A 103 LYS CD . 25798 1 1233 . 1 1 103 103 LYS CE C 13 42.261 0.4 . 1 . . . A 103 LYS CE . 25798 1 1234 . 1 1 103 103 LYS N N 15 120.355 0.4 . 1 . . . A 103 LYS N . 25798 1 1235 . 1 1 104 104 GLY H H 1 8.557 0.02 . 1 . . . A 104 GLY H . 25798 1 1236 . 1 1 104 104 GLY HA2 H 1 4.481 0.02 . 2 . . . A 104 GLY HA2 . 25798 1 1237 . 1 1 104 104 GLY HA3 H 1 3.882 0.02 . 2 . . . A 104 GLY HA3 . 25798 1 1238 . 1 1 104 104 GLY C C 13 171.558 0.4 . 1 . . . A 104 GLY C . 25798 1 1239 . 1 1 104 104 GLY CA C 13 44.21 0.4 . 1 . . . A 104 GLY CA . 25798 1 1240 . 1 1 104 104 GLY N N 15 113.315 0.4 . 1 . . . A 104 GLY N . 25798 1 1241 . 1 1 105 105 SER H H 1 8.229 0.02 . 1 . . . A 105 SER H . 25798 1 1242 . 1 1 105 105 SER HA H 1 6.023 0.02 . 1 . . . A 105 SER HA . 25798 1 1243 . 1 1 105 105 SER HB2 H 1 3.665 0.02 . 1 . . . A 105 SER HB2 . 25798 1 1244 . 1 1 105 105 SER HB3 H 1 3.818 0.02 . 1 . . . A 105 SER HB3 . 25798 1 1245 . 1 1 105 105 SER C C 13 173.966 0.4 . 1 . . . A 105 SER C . 25798 1 1246 . 1 1 105 105 SER CA C 13 57.399 0.4 . 1 . . . A 105 SER CA . 25798 1 1247 . 1 1 105 105 SER CB C 13 65.156 0.4 . 1 . . . A 105 SER CB . 25798 1 1248 . 1 1 105 105 SER N N 15 113.965 0.4 . 1 . . . A 105 SER N . 25798 1 1249 . 1 1 106 106 TYR H H 1 9.783 0.02 . 1 . . . A 106 TYR H . 25798 1 1250 . 1 1 106 106 TYR HA H 1 5.66 0.02 . 1 . . . A 106 TYR HA . 25798 1 1251 . 1 1 106 106 TYR HB2 H 1 2.85 0.02 . 1 . . . A 106 TYR HB2 . 25798 1 1252 . 1 1 106 106 TYR HB3 H 1 3.325 0.02 . 1 . . . A 106 TYR HB3 . 25798 1 1253 . 1 1 106 106 TYR HD1 H 1 6.925 0.02 . 1 . . . A 106 TYR HD1 . 25798 1 1254 . 1 1 106 106 TYR HD2 H 1 6.925 0.02 . 1 . . . A 106 TYR HD2 . 25798 1 1255 . 1 1 106 106 TYR HE1 H 1 6.585 0.02 . 1 . . . A 106 TYR HE1 . 25798 1 1256 . 1 1 106 106 TYR HE2 H 1 6.585 0.02 . 1 . . . A 106 TYR HE2 . 25798 1 1257 . 1 1 106 106 TYR HH H 1 9.72 0.02 . 1 . . . A 106 TYR HH . 25798 1 1258 . 1 1 106 106 TYR C C 13 174.467 0.4 . 1 . . . A 106 TYR C . 25798 1 1259 . 1 1 106 106 TYR CA C 13 57.736 0.4 . 1 . . . A 106 TYR CA . 25798 1 1260 . 1 1 106 106 TYR CB C 13 43.526 0.4 . 1 . . . A 106 TYR CB . 25798 1 1261 . 1 1 106 106 TYR CD1 C 13 133.017 0.4 . 1 . . . A 106 TYR CD1 . 25798 1 1262 . 1 1 106 106 TYR CE1 C 13 117.334 0.4 . 1 . . . A 106 TYR CE1 . 25798 1 1263 . 1 1 106 106 TYR N N 15 124.198 0.4 . 1 . . . A 106 TYR N . 25798 1 1264 . 1 1 107 107 PHE H H 1 9.699 0.02 . 1 . . . A 107 PHE H . 25798 1 1265 . 1 1 107 107 PHE HA H 1 6.09 0.02 . 1 . . . A 107 PHE HA . 25798 1 1266 . 1 1 107 107 PHE HB2 H 1 3.388 0.02 . 2 . . . A 107 PHE HB2 . 25798 1 1267 . 1 1 107 107 PHE HB3 H 1 3.019 0.02 . 2 . . . A 107 PHE HB3 . 25798 1 1268 . 1 1 107 107 PHE HD1 H 1 6.978 0.02 . 1 . . . A 107 PHE HD1 . 25798 1 1269 . 1 1 107 107 PHE HD2 H 1 6.978 0.02 . 1 . . . A 107 PHE HD2 . 25798 1 1270 . 1 1 107 107 PHE HE1 H 1 7.188 0.02 . 1 . . . A 107 PHE HE1 . 25798 1 1271 . 1 1 107 107 PHE HE2 H 1 7.188 0.02 . 1 . . . A 107 PHE HE2 . 25798 1 1272 . 1 1 107 107 PHE HZ H 1 6.579 0.02 . 1 . . . A 107 PHE HZ . 25798 1 1273 . 1 1 107 107 PHE C C 13 171.923 0.4 . 1 . . . A 107 PHE C . 25798 1 1274 . 1 1 107 107 PHE CA C 13 55.417 0.4 . 1 . . . A 107 PHE CA . 25798 1 1275 . 1 1 107 107 PHE CB C 13 43.217 0.4 . 1 . . . A 107 PHE CB . 25798 1 1276 . 1 1 107 107 PHE CD1 C 13 132.414 0.4 . 1 . . . A 107 PHE CD1 . 25798 1 1277 . 1 1 107 107 PHE CE1 C 13 131.393 0.4 . 1 . . . A 107 PHE CE1 . 25798 1 1278 . 1 1 107 107 PHE CZ C 13 129.165 0.4 . 1 . . . A 107 PHE CZ . 25798 1 1279 . 1 1 107 107 PHE N N 15 117.848 0.4 . 1 . . . A 107 PHE N . 25798 1 1280 . 1 1 108 108 PHE H H 1 8.538 0.02 . 1 . . . A 108 PHE H . 25798 1 1281 . 1 1 108 108 PHE HA H 1 4.644 0.02 . 1 . . . A 108 PHE HA . 25798 1 1282 . 1 1 108 108 PHE HB2 H 1 2.098 0.02 . 1 . . . A 108 PHE HB2 . 25798 1 1283 . 1 1 108 108 PHE HB3 H 1 1.014 0.02 . 1 . . . A 108 PHE HB3 . 25798 1 1284 . 1 1 108 108 PHE HZ H 1 6.422 0.02 . 1 . . . A 108 PHE HZ . 25798 1 1285 . 1 1 108 108 PHE C C 13 173.105 0.4 . 1 . . . A 108 PHE C . 25798 1 1286 . 1 1 108 108 PHE CA C 13 55.766 0.4 . 1 . . . A 108 PHE CA . 25798 1 1287 . 1 1 108 108 PHE CB C 13 40.719 0.4 . 1 . . . A 108 PHE CB . 25798 1 1288 . 1 1 108 108 PHE CZ C 13 128.878 0.4 . 1 . . . A 108 PHE CZ . 25798 1 1289 . 1 1 108 108 PHE N N 15 124.408 0.4 . 1 . . . A 108 PHE N . 25798 1 1290 . 1 1 109 109 ARG H H 1 8.524 0.02 . 1 . . . A 109 ARG H . 25798 1 1291 . 1 1 109 109 ARG HA H 1 5.225 0.02 . 1 . . . A 109 ARG HA . 25798 1 1292 . 1 1 109 109 ARG HB2 H 1 1.608 0.02 . 1 . . . A 109 ARG HB2 . 25798 1 1293 . 1 1 109 109 ARG HB3 H 1 1.608 0.02 . 1 . . . A 109 ARG HB3 . 25798 1 1294 . 1 1 109 109 ARG HG2 H 1 1.097 0.02 . 1 . . . A 109 ARG HG2 . 25798 1 1295 . 1 1 109 109 ARG HG3 H 1 1.491 0.02 . 1 . . . A 109 ARG HG3 . 25798 1 1296 . 1 1 109 109 ARG HD2 H 1 2.663 0.02 . 1 . . . A 109 ARG HD2 . 25798 1 1297 . 1 1 109 109 ARG HD3 H 1 2.836 0.02 . 1 . . . A 109 ARG HD3 . 25798 1 1298 . 1 1 109 109 ARG HE H 1 8.407 0.02 . 1 . . . A 109 ARG HE . 25798 1 1299 . 1 1 109 109 ARG C C 13 170.919 0.4 . 1 . . . A 109 ARG C . 25798 1 1300 . 1 1 109 109 ARG CA C 13 53.566 0.4 . 1 . . . A 109 ARG CA . 25798 1 1301 . 1 1 109 109 ARG CB C 13 34.785 0.4 . 1 . . . A 109 ARG CB . 25798 1 1302 . 1 1 109 109 ARG CG C 13 28.603 0.4 . 1 . . . A 109 ARG CG . 25798 1 1303 . 1 1 109 109 ARG CD C 13 43.841 0.4 . 1 . . . A 109 ARG CD . 25798 1 1304 . 1 1 109 109 ARG N N 15 128.68 0.4 . 1 . . . A 109 ARG N . 25798 1 1305 . 1 1 109 109 ARG NE N 15 85.186 0.4 . 1 . . . A 109 ARG NE . 25798 1 1306 . 1 1 110 110 LEU H H 1 8.736 0.02 . 1 . . . A 110 LEU H . 25798 1 1307 . 1 1 110 110 LEU HA H 1 4.91 0.02 . 1 . . . A 110 LEU HA . 25798 1 1308 . 1 1 110 110 LEU HB2 H 1 1.365 0.02 . 1 . . . A 110 LEU HB2 . 25798 1 1309 . 1 1 110 110 LEU HB3 H 1 1.778 0.02 . 1 . . . A 110 LEU HB3 . 25798 1 1310 . 1 1 110 110 LEU HG H 1 1.196 0.02 . 1 . . . A 110 LEU HG . 25798 1 1311 . 1 1 110 110 LEU HD11 H 1 0.489 0.02 . 1 . . . A 110 LEU HD11 . 25798 1 1312 . 1 1 110 110 LEU HD12 H 1 0.489 0.02 . 1 . . . A 110 LEU HD12 . 25798 1 1313 . 1 1 110 110 LEU HD13 H 1 0.489 0.02 . 1 . . . A 110 LEU HD13 . 25798 1 1314 . 1 1 110 110 LEU HD21 H 1 0.51 0.02 . 1 . . . A 110 LEU HD21 . 25798 1 1315 . 1 1 110 110 LEU HD22 H 1 0.51 0.02 . 1 . . . A 110 LEU HD22 . 25798 1 1316 . 1 1 110 110 LEU HD23 H 1 0.51 0.02 . 1 . . . A 110 LEU HD23 . 25798 1 1317 . 1 1 110 110 LEU C C 13 175.178 0.4 . 1 . . . A 110 LEU C . 25798 1 1318 . 1 1 110 110 LEU CA C 13 52.299 0.4 . 1 . . . A 110 LEU CA . 25798 1 1319 . 1 1 110 110 LEU CB C 13 47.882 0.4 . 1 . . . A 110 LEU CB . 25798 1 1320 . 1 1 110 110 LEU CG C 13 27.466 0.4 . 1 . . . A 110 LEU CG . 25798 1 1321 . 1 1 110 110 LEU CD1 C 13 23.966 0.4 . 1 . . . A 110 LEU CD1 . 25798 1 1322 . 1 1 110 110 LEU CD2 C 13 27.178 0.4 . 1 . . . A 110 LEU CD2 . 25798 1 1323 . 1 1 110 110 LEU N N 15 127.802 0.4 . 1 . . . A 110 LEU N . 25798 1 1324 . 1 1 111 111 GLU H H 1 9.164 0.02 . 1 . . . A 111 GLU H . 25798 1 1325 . 1 1 111 111 GLU HA H 1 5.152 0.02 . 1 . . . A 111 GLU HA . 25798 1 1326 . 1 1 111 111 GLU HG2 H 1 2.253 0.02 . 1 . . . A 111 GLU HG2 . 25798 1 1327 . 1 1 111 111 GLU HG3 H 1 2.253 0.02 . 1 . . . A 111 GLU HG3 . 25798 1 1328 . 1 1 111 111 GLU C C 13 174.39 0.4 . 1 . . . A 111 GLU C . 25798 1 1329 . 1 1 111 111 GLU CA C 13 55.287 0.4 . 1 . . . A 111 GLU CA . 25798 1 1330 . 1 1 111 111 GLU CG C 13 37.106 0.4 . 1 . . . A 111 GLU CG . 25798 1 1331 . 1 1 111 111 GLU N N 15 123.026 0.4 . 1 . . . A 111 GLU N . 25798 1 1332 . 1 1 112 112 ARG H H 1 8.983 0.02 . 1 . . . A 112 ARG H . 25798 1 1333 . 1 1 112 112 ARG HA H 1 4.649 0.02 . 1 . . . A 112 ARG HA . 25798 1 1334 . 1 1 112 112 ARG HB2 H 1 1.128 0.02 . 1 . . . A 112 ARG HB2 . 25798 1 1335 . 1 1 112 112 ARG HB3 H 1 1.419 0.02 . 1 . . . A 112 ARG HB3 . 25798 1 1336 . 1 1 112 112 ARG HD2 H 1 2.214 0.02 . 1 . . . A 112 ARG HD2 . 25798 1 1337 . 1 1 112 112 ARG HD3 H 1 1.668 0.02 . 1 . . . A 112 ARG HD3 . 25798 1 1338 . 1 1 112 112 ARG HE H 1 6.76 0.02 . 1 . . . A 112 ARG HE . 25798 1 1339 . 1 1 112 112 ARG C C 13 175.223 0.4 . 1 . . . A 112 ARG C . 25798 1 1340 . 1 1 112 112 ARG CA C 13 56.064 0.4 . 1 . . . A 112 ARG CA . 25798 1 1341 . 1 1 112 112 ARG CB C 13 32.712 0.4 . 1 . . . A 112 ARG CB . 25798 1 1342 . 1 1 112 112 ARG CD C 13 43.255 0.4 . 1 . . . A 112 ARG CD . 25798 1 1343 . 1 1 112 112 ARG N N 15 124.528 0.4 . 1 . . . A 112 ARG N . 25798 1 1344 . 1 1 112 112 ARG NE N 15 84.145 0.4 . 1 . . . A 112 ARG NE . 25798 1 1345 . 1 1 113 113 GLY H H 1 9.859 0.02 . 1 . . . A 113 GLY H . 25798 1 1346 . 1 1 113 113 GLY HA2 H 1 4.329 0.02 . 1 . . . A 113 GLY HA2 . 25798 1 1347 . 1 1 113 113 GLY HA3 H 1 3.736 0.02 . 1 . . . A 113 GLY HA3 . 25798 1 1348 . 1 1 113 113 GLY C C 13 175.955 0.4 . 1 . . . A 113 GLY C . 25798 1 1349 . 1 1 113 113 GLY CA C 13 47.056 0.4 . 1 . . . A 113 GLY CA . 25798 1 1350 . 1 1 113 113 GLY N N 15 118.019 0.4 . 1 . . . A 113 GLY N . 25798 1 1351 . 1 1 114 114 SER H H 1 9.263 0.02 . 1 . . . A 114 SER H . 25798 1 1352 . 1 1 114 114 SER HA H 1 4.546 0.02 . 1 . . . A 114 SER HA . 25798 1 1353 . 1 1 114 114 SER HB2 H 1 4.18 0.02 . 2 . . . A 114 SER HB2 . 25798 1 1354 . 1 1 114 114 SER HB3 H 1 4.017 0.02 . 2 . . . A 114 SER HB3 . 25798 1 1355 . 1 1 114 114 SER C C 13 173.964 0.4 . 1 . . . A 114 SER C . 25798 1 1356 . 1 1 114 114 SER CA C 13 59.231 0.4 . 1 . . . A 114 SER CA . 25798 1 1357 . 1 1 114 114 SER CB C 13 63.897 0.4 . 1 . . . A 114 SER CB . 25798 1 1358 . 1 1 114 114 SER N N 15 123.187 0.4 . 1 . . . A 114 SER N . 25798 1 1359 . 1 1 115 115 MET H H 1 8.595 0.02 . 1 . . . A 115 MET H . 25798 1 1360 . 1 1 115 115 MET HA H 1 4.567 0.02 . 1 . . . A 115 MET HA . 25798 1 1361 . 1 1 115 115 MET HB2 H 1 2.792 0.02 . 1 . . . A 115 MET HB2 . 25798 1 1362 . 1 1 115 115 MET HB3 H 1 2.489 0.02 . 1 . . . A 115 MET HB3 . 25798 1 1363 . 1 1 115 115 MET HG2 H 1 2.962 0.02 . 2 . . . A 115 MET HG2 . 25798 1 1364 . 1 1 115 115 MET HG3 H 1 2.359 0.02 . 2 . . . A 115 MET HG3 . 25798 1 1365 . 1 1 115 115 MET HE1 H 1 2.108 0.02 . 1 . . . A 115 MET HE1 . 25798 1 1366 . 1 1 115 115 MET HE2 H 1 2.108 0.02 . 1 . . . A 115 MET HE2 . 25798 1 1367 . 1 1 115 115 MET HE3 H 1 2.108 0.02 . 1 . . . A 115 MET HE3 . 25798 1 1368 . 1 1 115 115 MET C C 13 174.929 0.4 . 1 . . . A 115 MET C . 25798 1 1369 . 1 1 115 115 MET CA C 13 56.131 0.4 . 1 . . . A 115 MET CA . 25798 1 1370 . 1 1 115 115 MET CB C 13 32.7 0.4 . 1 . . . A 115 MET CB . 25798 1 1371 . 1 1 115 115 MET CG C 13 31.75 0.4 . 1 . . . A 115 MET CG . 25798 1 1372 . 1 1 115 115 MET CE C 13 17.667 0.4 . 1 . . . A 115 MET CE . 25798 1 1373 . 1 1 115 115 MET N N 15 126.202 0.4 . 1 . . . A 115 MET N . 25798 1 1374 . 1 1 116 116 LYS H H 1 8.414 0.02 . 1 . . . A 116 LYS H . 25798 1 1375 . 1 1 116 116 LYS HA H 1 5.184 0.02 . 1 . . . A 116 LYS HA . 25798 1 1376 . 1 1 116 116 LYS HB2 H 1 1.796 0.02 . 1 . . . A 116 LYS HB2 . 25798 1 1377 . 1 1 116 116 LYS HB3 H 1 1.653 0.02 . 1 . . . A 116 LYS HB3 . 25798 1 1378 . 1 1 116 116 LYS HG2 H 1 1.274 0.02 . 1 . . . A 116 LYS HG2 . 25798 1 1379 . 1 1 116 116 LYS HG3 H 1 1.396 0.02 . 1 . . . A 116 LYS HG3 . 25798 1 1380 . 1 1 116 116 LYS HD2 H 1 1.582 0.02 . 1 . . . A 116 LYS HD2 . 25798 1 1381 . 1 1 116 116 LYS HD3 H 1 1.582 0.02 . 1 . . . A 116 LYS HD3 . 25798 1 1382 . 1 1 116 116 LYS HE2 H 1 2.958 0.02 . 1 . . . A 116 LYS HE2 . 25798 1 1383 . 1 1 116 116 LYS HE3 H 1 2.958 0.02 . 1 . . . A 116 LYS HE3 . 25798 1 1384 . 1 1 116 116 LYS C C 13 175.807 0.4 . 1 . . . A 116 LYS C . 25798 1 1385 . 1 1 116 116 LYS CA C 13 55.167 0.4 . 1 . . . A 116 LYS CA . 25798 1 1386 . 1 1 116 116 LYS CB C 13 35.443 0.4 . 1 . . . A 116 LYS CB . 25798 1 1387 . 1 1 116 116 LYS CG C 13 25.372 0.4 . 1 . . . A 116 LYS CG . 25798 1 1388 . 1 1 116 116 LYS CD C 13 29.56 0.4 . 1 . . . A 116 LYS CD . 25798 1 1389 . 1 1 116 116 LYS CE C 13 42.605 0.4 . 1 . . . A 116 LYS CE . 25798 1 1390 . 1 1 116 116 LYS N N 15 127.036 0.4 . 1 . . . A 116 LYS N . 25798 1 1391 . 1 1 117 117 TRP H H 1 9.372 0.02 . 1 . . . A 117 TRP H . 25798 1 1392 . 1 1 117 117 TRP HA H 1 4.528 0.02 . 1 . . . A 117 TRP HA . 25798 1 1393 . 1 1 117 117 TRP HB2 H 1 2.648 0.02 . 1 . . . A 117 TRP HB2 . 25798 1 1394 . 1 1 117 117 TRP HB3 H 1 2.623 0.02 . 1 . . . A 117 TRP HB3 . 25798 1 1395 . 1 1 117 117 TRP HD1 H 1 4.606 0.02 . 1 . . . A 117 TRP HD1 . 25798 1 1396 . 1 1 117 117 TRP HE1 H 1 8.187 0.02 . 1 . . . A 117 TRP HE1 . 25798 1 1397 . 1 1 117 117 TRP HE3 H 1 7.119 0.02 . 1 . . . A 117 TRP HE3 . 25798 1 1398 . 1 1 117 117 TRP HZ2 H 1 5.322 0.02 . 1 . . . A 117 TRP HZ2 . 25798 1 1399 . 1 1 117 117 TRP HZ3 H 1 6.497 0.02 . 1 . . . A 117 TRP HZ3 . 25798 1 1400 . 1 1 117 117 TRP HH2 H 1 5.302 0.02 . 1 . . . A 117 TRP HH2 . 25798 1 1401 . 1 1 117 117 TRP C C 13 175.097 0.4 . 1 . . . A 117 TRP C . 25798 1 1402 . 1 1 117 117 TRP CA C 13 57.118 0.4 . 1 . . . A 117 TRP CA . 25798 1 1403 . 1 1 117 117 TRP CB C 13 33.353 0.4 . 1 . . . A 117 TRP CB . 25798 1 1404 . 1 1 117 117 TRP CD1 C 13 125.195 0.4 . 1 . . . A 117 TRP CD1 . 25798 1 1405 . 1 1 117 117 TRP CE3 C 13 120.146 0.4 . 1 . . . A 117 TRP CE3 . 25798 1 1406 . 1 1 117 117 TRP CZ2 C 13 112.598 0.4 . 1 . . . A 117 TRP CZ2 . 25798 1 1407 . 1 1 117 117 TRP CZ3 C 13 120.473 0.4 . 1 . . . A 117 TRP CZ3 . 25798 1 1408 . 1 1 117 117 TRP CH2 C 13 123.03 0.4 . 1 . . . A 117 TRP CH2 . 25798 1 1409 . 1 1 117 117 TRP N N 15 123.964 0.4 . 1 . . . A 117 TRP N . 25798 1 1410 . 1 1 117 117 TRP NE1 N 15 126.462 0.4 . 1 . . . A 117 TRP NE1 . 25798 1 1411 . 1 1 118 118 SER H H 1 7.986 0.02 . 1 . . . A 118 SER H . 25798 1 1412 . 1 1 118 118 SER HA H 1 4.632 0.02 . 1 . . . A 118 SER HA . 25798 1 1413 . 1 1 118 118 SER HB2 H 1 3.368 0.02 . 2 . . . A 118 SER HB2 . 25798 1 1414 . 1 1 118 118 SER HB3 H 1 3.257 0.02 . 2 . . . A 118 SER HB3 . 25798 1 1415 . 1 1 118 118 SER C C 13 172.981 0.4 . 1 . . . A 118 SER C . 25798 1 1416 . 1 1 118 118 SER CA C 13 57.094 0.4 . 1 . . . A 118 SER CA . 25798 1 1417 . 1 1 118 118 SER CB C 13 63.527 0.4 . 1 . . . A 118 SER CB . 25798 1 1418 . 1 1 118 118 SER N N 15 124.162 0.4 . 1 . . . A 118 SER N . 25798 1 1419 . 1 1 119 119 TYR H H 1 9.804 0.02 . 1 . . . A 119 TYR H . 25798 1 1420 . 1 1 119 119 TYR HA H 1 4.595 0.02 . 1 . . . A 119 TYR HA . 25798 1 1421 . 1 1 119 119 TYR HB2 H 1 3.668 0.02 . 1 . . . A 119 TYR HB2 . 25798 1 1422 . 1 1 119 119 TYR HB3 H 1 3.281 0.02 . 1 . . . A 119 TYR HB3 . 25798 1 1423 . 1 1 119 119 TYR HD1 H 1 7.541 0.02 . 1 . . . A 119 TYR HD1 . 25798 1 1424 . 1 1 119 119 TYR HD2 H 1 7.541 0.02 . 1 . . . A 119 TYR HD2 . 25798 1 1425 . 1 1 119 119 TYR HE1 H 1 6.887 0.02 . 1 . . . A 119 TYR HE1 . 25798 1 1426 . 1 1 119 119 TYR HE2 H 1 6.887 0.02 . 1 . . . A 119 TYR HE2 . 25798 1 1427 . 1 1 119 119 TYR HH H 1 7.516 0.02 . 1 . . . A 119 TYR HH . 25798 1 1428 . 1 1 119 119 TYR C C 13 173.922 0.4 . 1 . . . A 119 TYR C . 25798 1 1429 . 1 1 119 119 TYR CA C 13 58.342 0.4 . 1 . . . A 119 TYR CA . 25798 1 1430 . 1 1 119 119 TYR CB C 13 35.727 0.4 . 1 . . . A 119 TYR CB . 25798 1 1431 . 1 1 119 119 TYR CD1 C 13 135.246 0.4 . 1 . . . A 119 TYR CD1 . 25798 1 1432 . 1 1 119 119 TYR CE1 C 13 118.23 0.4 . 1 . . . A 119 TYR CE1 . 25798 1 1433 . 1 1 119 119 TYR N N 15 127.345 0.4 . 1 . . . A 119 TYR N . 25798 1 1434 . 1 1 120 120 LYS H H 1 7.476 0.02 . 1 . . . A 120 LYS H . 25798 1 1435 . 1 1 120 120 LYS HA H 1 4.483 0.02 . 1 . . . A 120 LYS HA . 25798 1 1436 . 1 1 120 120 LYS HB2 H 1 1.197 0.02 . 1 . . . A 120 LYS HB2 . 25798 1 1437 . 1 1 120 120 LYS HB3 H 1 1.028 0.02 . 1 . . . A 120 LYS HB3 . 25798 1 1438 . 1 1 120 120 LYS HG2 H 1 0.79 0.02 . 1 . . . A 120 LYS HG2 . 25798 1 1439 . 1 1 120 120 LYS HG3 H 1 0.705 0.02 . 1 . . . A 120 LYS HG3 . 25798 1 1440 . 1 1 120 120 LYS HD2 H 1 0.677 0.02 . 2 . . . A 120 LYS HD2 . 25798 1 1441 . 1 1 120 120 LYS HD3 H 1 0.589 0.02 . 2 . . . A 120 LYS HD3 . 25798 1 1442 . 1 1 120 120 LYS HE2 H 1 2.362 0.02 . 1 . . . A 120 LYS HE2 . 25798 1 1443 . 1 1 120 120 LYS HE3 H 1 2.362 0.02 . 1 . . . A 120 LYS HE3 . 25798 1 1444 . 1 1 120 120 LYS C C 13 175.22 0.4 . 1 . . . A 120 LYS C . 25798 1 1445 . 1 1 120 120 LYS CA C 13 53.967 0.4 . 1 . . . A 120 LYS CA . 25798 1 1446 . 1 1 120 120 LYS CB C 13 35.296 0.4 . 1 . . . A 120 LYS CB . 25798 1 1447 . 1 1 120 120 LYS CG C 13 24.059 0.4 . 1 . . . A 120 LYS CG . 25798 1 1448 . 1 1 120 120 LYS CD C 13 28.674 0.4 . 1 . . . A 120 LYS CD . 25798 1 1449 . 1 1 120 120 LYS CE C 13 41.332 0.4 . 1 . . . A 120 LYS CE . 25798 1 1450 . 1 1 120 120 LYS N N 15 122.528 0.4 . 1 . . . A 120 LYS N . 25798 1 1451 . 1 1 121 121 SER H H 1 8.456 0.02 . 1 . . . A 121 SER H . 25798 1 1452 . 1 1 121 121 SER HA H 1 4.496 0.02 . 1 . . . A 121 SER HA . 25798 1 1453 . 1 1 121 121 SER HB2 H 1 4.046 0.02 . 1 . . . A 121 SER HB2 . 25798 1 1454 . 1 1 121 121 SER HB3 H 1 3.807 0.02 . 1 . . . A 121 SER HB3 . 25798 1 1455 . 1 1 121 121 SER C C 13 174.051 0.4 . 1 . . . A 121 SER C . 25798 1 1456 . 1 1 121 121 SER CA C 13 60.095 0.4 . 1 . . . A 121 SER CA . 25798 1 1457 . 1 1 121 121 SER CB C 13 63.395 0.4 . 1 . . . A 121 SER CB . 25798 1 1458 . 1 1 121 121 SER N N 15 120.942 0.4 . 1 . . . A 121 SER N . 25798 1 1459 . 1 1 122 122 GLN H H 1 8.995 0.02 . 1 . . . A 122 GLN H . 25798 1 1460 . 1 1 122 122 GLN HA H 1 4.554 0.02 . 1 . . . A 122 GLN HA . 25798 1 1461 . 1 1 122 122 GLN HB2 H 1 2.016 0.02 . 1 . . . A 122 GLN HB2 . 25798 1 1462 . 1 1 122 122 GLN HB3 H 1 2.016 0.02 . 1 . . . A 122 GLN HB3 . 25798 1 1463 . 1 1 122 122 GLN HG2 H 1 2.409 0.02 . 1 . . . A 122 GLN HG2 . 25798 1 1464 . 1 1 122 122 GLN HG3 H 1 2.225 0.02 . 1 . . . A 122 GLN HG3 . 25798 1 1465 . 1 1 122 122 GLN HE21 H 1 7.374 0.02 . 1 . . . A 122 GLN HE21 . 25798 1 1466 . 1 1 122 122 GLN HE22 H 1 6.647 0.02 . 1 . . . A 122 GLN HE22 . 25798 1 1467 . 1 1 122 122 GLN C C 13 174.395 0.4 . 1 . . . A 122 GLN C . 25798 1 1468 . 1 1 122 122 GLN CA C 13 55.378 0.4 . 1 . . . A 122 GLN CA . 25798 1 1469 . 1 1 122 122 GLN CB C 13 31.726 0.4 . 1 . . . A 122 GLN CB . 25798 1 1470 . 1 1 122 122 GLN CG C 13 33.019 0.4 . 1 . . . A 122 GLN CG . 25798 1 1471 . 1 1 122 122 GLN N N 15 122.424 0.4 . 1 . . . A 122 GLN N . 25798 1 1472 . 1 1 122 122 GLN NE2 N 15 112.417 0.4 . 1 . . . A 122 GLN NE2 . 25798 1 1473 . 1 1 123 123 LEU H H 1 9.094 0.02 . 1 . . . A 123 LEU H . 25798 1 1474 . 1 1 123 123 LEU HA H 1 3.947 0.02 . 1 . . . A 123 LEU HA . 25798 1 1475 . 1 1 123 123 LEU HB2 H 1 1.943 0.02 . 1 . . . A 123 LEU HB2 . 25798 1 1476 . 1 1 123 123 LEU HB3 H 1 1.535 0.02 . 1 . . . A 123 LEU HB3 . 25798 1 1477 . 1 1 123 123 LEU HG H 1 1.548 0.02 . 1 . . . A 123 LEU HG . 25798 1 1478 . 1 1 123 123 LEU HD11 H 1 0.73 0.02 . 1 . . . A 123 LEU HD11 . 25798 1 1479 . 1 1 123 123 LEU HD12 H 1 0.73 0.02 . 1 . . . A 123 LEU HD12 . 25798 1 1480 . 1 1 123 123 LEU HD13 H 1 0.73 0.02 . 1 . . . A 123 LEU HD13 . 25798 1 1481 . 1 1 123 123 LEU HD21 H 1 0.853 0.02 . 1 . . . A 123 LEU HD21 . 25798 1 1482 . 1 1 123 123 LEU HD22 H 1 0.853 0.02 . 1 . . . A 123 LEU HD22 . 25798 1 1483 . 1 1 123 123 LEU HD23 H 1 0.853 0.02 . 1 . . . A 123 LEU HD23 . 25798 1 1484 . 1 1 123 123 LEU C C 13 177.368 0.4 . 1 . . . A 123 LEU C . 25798 1 1485 . 1 1 123 123 LEU CA C 13 57.374 0.4 . 1 . . . A 123 LEU CA . 25798 1 1486 . 1 1 123 123 LEU CB C 13 39.543 0.4 . 1 . . . A 123 LEU CB . 25798 1 1487 . 1 1 123 123 LEU CG C 13 27.066 0.4 . 1 . . . A 123 LEU CG . 25798 1 1488 . 1 1 123 123 LEU CD1 C 13 24.785 0.4 . 1 . . . A 123 LEU CD1 . 25798 1 1489 . 1 1 123 123 LEU CD2 C 13 23.308 0.4 . 1 . . . A 123 LEU CD2 . 25798 1 1490 . 1 1 123 123 LEU N N 15 122.32 0.4 . 1 . . . A 123 LEU N . 25798 1 1491 . 1 1 124 124 ASN H H 1 8.665 0.02 . 1 . . . A 124 ASN H . 25798 1 1492 . 1 1 124 124 ASN HB2 H 1 3.059 0.02 . 2 . . . A 124 ASN HB2 . 25798 1 1493 . 1 1 124 124 ASN HB3 H 1 2.978 0.02 . 2 . . . A 124 ASN HB3 . 25798 1 1494 . 1 1 124 124 ASN HD21 H 1 7.75 0.02 . 1 . . . A 124 ASN HD21 . 25798 1 1495 . 1 1 124 124 ASN HD22 H 1 7.097 0.02 . 1 . . . A 124 ASN HD22 . 25798 1 1496 . 1 1 124 124 ASN C C 13 174.446 0.4 . 1 . . . A 124 ASN C . 25798 1 1497 . 1 1 124 124 ASN CA C 13 53.664 0.4 . 1 . . . A 124 ASN CA . 25798 1 1498 . 1 1 124 124 ASN CB C 13 38.297 0.4 . 1 . . . A 124 ASN CB . 25798 1 1499 . 1 1 124 124 ASN N N 15 118.092 0.4 . 1 . . . A 124 ASN N . 25798 1 1500 . 1 1 124 124 ASN ND2 N 15 113.541 0.4 . 1 . . . A 124 ASN ND2 . 25798 1 1501 . 1 1 125 125 TYR H H 1 8.486 0.02 . 1 . . . A 125 TYR H . 25798 1 1502 . 1 1 125 125 TYR HA H 1 4.934 0.02 . 1 . . . A 125 TYR HA . 25798 1 1503 . 1 1 125 125 TYR HB2 H 1 3.405 0.02 . 1 . . . A 125 TYR HB2 . 25798 1 1504 . 1 1 125 125 TYR HB3 H 1 3.294 0.02 . 1 . . . A 125 TYR HB3 . 25798 1 1505 . 1 1 125 125 TYR HD1 H 1 7.46 0.02 . 1 . . . A 125 TYR HD1 . 25798 1 1506 . 1 1 125 125 TYR HD2 H 1 7.46 0.02 . 1 . . . A 125 TYR HD2 . 25798 1 1507 . 1 1 125 125 TYR HE1 H 1 7.169 0.02 . 1 . . . A 125 TYR HE1 . 25798 1 1508 . 1 1 125 125 TYR HE2 H 1 7.169 0.02 . 1 . . . A 125 TYR HE2 . 25798 1 1509 . 1 1 125 125 TYR C C 13 173.539 0.4 . 1 . . . A 125 TYR C . 25798 1 1510 . 1 1 125 125 TYR CA C 13 57.721 0.4 . 1 . . . A 125 TYR CA . 25798 1 1511 . 1 1 125 125 TYR CB C 13 40.034 0.4 . 1 . . . A 125 TYR CB . 25798 1 1512 . 1 1 125 125 TYR CD1 C 13 134.105 0.4 . 1 . . . A 125 TYR CD1 . 25798 1 1513 . 1 1 125 125 TYR CE1 C 13 118.982 0.4 . 1 . . . A 125 TYR CE1 . 25798 1 1514 . 1 1 125 125 TYR N N 15 122.386 0.4 . 1 . . . A 125 TYR N . 25798 1 1515 . 1 1 126 126 LYS H H 1 8.553 0.02 . 1 . . . A 126 LYS H . 25798 1 1516 . 1 1 126 126 LYS HA H 1 4.628 0.02 . 1 . . . A 126 LYS HA . 25798 1 1517 . 1 1 126 126 LYS HB2 H 1 1.749 0.02 . 1 . . . A 126 LYS HB2 . 25798 1 1518 . 1 1 126 126 LYS HB3 H 1 1.659 0.02 . 1 . . . A 126 LYS HB3 . 25798 1 1519 . 1 1 126 126 LYS HG2 H 1 1.398 0.02 . 1 . . . A 126 LYS HG2 . 25798 1 1520 . 1 1 126 126 LYS HG3 H 1 1.343 0.02 . 1 . . . A 126 LYS HG3 . 25798 1 1521 . 1 1 126 126 LYS HD2 H 1 1.693 0.02 . 1 . . . A 126 LYS HD2 . 25798 1 1522 . 1 1 126 126 LYS HD3 H 1 1.693 0.02 . 1 . . . A 126 LYS HD3 . 25798 1 1523 . 1 1 126 126 LYS HE2 H 1 3.016 0.02 . 1 . . . A 126 LYS HE2 . 25798 1 1524 . 1 1 126 126 LYS HE3 H 1 3.016 0.02 . 1 . . . A 126 LYS HE3 . 25798 1 1525 . 1 1 126 126 LYS C C 13 174.552 0.4 . 1 . . . A 126 LYS C . 25798 1 1526 . 1 1 126 126 LYS CA C 13 54.153 0.4 . 1 . . . A 126 LYS CA . 25798 1 1527 . 1 1 126 126 LYS CB C 13 34.326 0.4 . 1 . . . A 126 LYS CB . 25798 1 1528 . 1 1 126 126 LYS CG C 13 24.779 0.4 . 1 . . . A 126 LYS CG . 25798 1 1529 . 1 1 126 126 LYS CD C 13 29.018 0.4 . 1 . . . A 126 LYS CD . 25798 1 1530 . 1 1 126 126 LYS CE C 13 42.364 0.4 . 1 . . . A 126 LYS CE . 25798 1 1531 . 1 1 126 126 LYS N N 15 130.108 0.4 . 1 . . . A 126 LYS N . 25798 1 1532 . 1 1 127 127 THR H H 1 8.04 0.02 . 1 . . . A 127 THR H . 25798 1 1533 . 1 1 127 127 THR HA H 1 4.681 0.02 . 1 . . . A 127 THR HA . 25798 1 1534 . 1 1 127 127 THR HB H 1 3.906 0.02 . 1 . . . A 127 THR HB . 25798 1 1535 . 1 1 127 127 THR HG21 H 1 1.02 0.02 . 1 . . . A 127 THR HG21 . 25798 1 1536 . 1 1 127 127 THR HG22 H 1 1.02 0.02 . 1 . . . A 127 THR HG22 . 25798 1 1537 . 1 1 127 127 THR HG23 H 1 1.02 0.02 . 1 . . . A 127 THR HG23 . 25798 1 1538 . 1 1 127 127 THR C C 13 173.043 0.4 . 1 . . . A 127 THR C . 25798 1 1539 . 1 1 127 127 THR CA C 13 58.882 0.4 . 1 . . . A 127 THR CA . 25798 1 1540 . 1 1 127 127 THR CB C 13 69.116 0.4 . 1 . . . A 127 THR CB . 25798 1 1541 . 1 1 127 127 THR CG2 C 13 18.675 0.4 . 1 . . . A 127 THR CG2 . 25798 1 1542 . 1 1 127 127 THR N N 15 119.31 0.4 . 1 . . . A 127 THR N . 25798 1 1543 . 1 1 128 128 LYS H H 1 8.532 0.02 . 1 . . . A 128 LYS H . 25798 1 1544 . 1 1 128 128 LYS HA H 1 4.675 0.02 . 1 . . . A 128 LYS HA . 25798 1 1545 . 1 1 128 128 LYS HB2 H 1 1.835 0.02 . 2 . . . A 128 LYS HB2 . 25798 1 1546 . 1 1 128 128 LYS HB3 H 1 1.735 0.02 . 2 . . . A 128 LYS HB3 . 25798 1 1547 . 1 1 128 128 LYS HG2 H 1 1.701 0.02 . 2 . . . A 128 LYS HG2 . 25798 1 1548 . 1 1 128 128 LYS HG3 H 1 1.507 0.02 . 2 . . . A 128 LYS HG3 . 25798 1 1549 . 1 1 128 128 LYS HD2 H 1 1.927 0.02 . 1 . . . A 128 LYS HD2 . 25798 1 1550 . 1 1 128 128 LYS HD3 H 1 1.927 0.02 . 1 . . . A 128 LYS HD3 . 25798 1 1551 . 1 1 128 128 LYS HE2 H 1 3.174 0.02 . 1 . . . A 128 LYS HE2 . 25798 1 1552 . 1 1 128 128 LYS HE3 H 1 3.174 0.02 . 1 . . . A 128 LYS HE3 . 25798 1 1553 . 1 1 128 128 LYS C C 13 174.399 0.4 . 1 . . . A 128 LYS C . 25798 1 1554 . 1 1 128 128 LYS CA C 13 55.929 0.4 . 1 . . . A 128 LYS CA . 25798 1 1555 . 1 1 128 128 LYS CB C 13 35.788 0.4 . 1 . . . A 128 LYS CB . 25798 1 1556 . 1 1 128 128 LYS CG C 13 26.226 0.4 . 1 . . . A 128 LYS CG . 25798 1 1557 . 1 1 128 128 LYS CD C 13 29.499 0.4 . 1 . . . A 128 LYS CD . 25798 1 1558 . 1 1 128 128 LYS CE C 13 42.789 0.4 . 1 . . . A 128 LYS CE . 25798 1 1559 . 1 1 128 128 LYS N N 15 123.735 0.4 . 1 . . . A 128 LYS N . 25798 1 1560 . 1 1 129 129 GLN H H 1 8.467 0.02 . 1 . . . A 129 GLN H . 25798 1 1561 . 1 1 129 129 GLN HA H 1 4.925 0.02 . 1 . . . A 129 GLN HA . 25798 1 1562 . 1 1 129 129 GLN HB2 H 1 2.17 0.02 . 1 . . . A 129 GLN HB2 . 25798 1 1563 . 1 1 129 129 GLN HB3 H 1 2.555 0.02 . 1 . . . A 129 GLN HB3 . 25798 1 1564 . 1 1 129 129 GLN HG2 H 1 2.674 0.02 . 1 . . . A 129 GLN HG2 . 25798 1 1565 . 1 1 129 129 GLN HG3 H 1 2.577 0.02 . 1 . . . A 129 GLN HG3 . 25798 1 1566 . 1 1 129 129 GLN HE21 H 1 7.259 0.02 . 1 . . . A 129 GLN HE21 . 25798 1 1567 . 1 1 129 129 GLN HE22 H 1 6.809 0.02 . 1 . . . A 129 GLN HE22 . 25798 1 1568 . 1 1 129 129 GLN C C 13 173.499 0.4 . 1 . . . A 129 GLN C . 25798 1 1569 . 1 1 129 129 GLN CA C 13 54.683 0.4 . 1 . . . A 129 GLN CA . 25798 1 1570 . 1 1 129 129 GLN CB C 13 32.001 0.4 . 1 . . . A 129 GLN CB . 25798 1 1571 . 1 1 129 129 GLN CG C 13 35.299 0.4 . 1 . . . A 129 GLN CG . 25798 1 1572 . 1 1 129 129 GLN N N 15 117.953 0.4 . 1 . . . A 129 GLN N . 25798 1 1573 . 1 1 129 129 GLN NE2 N 15 109.533 0.4 . 1 . . . A 129 GLN NE2 . 25798 1 1574 . 1 1 130 130 LEU H H 1 8.318 0.02 . 1 . . . A 130 LEU H . 25798 1 1575 . 1 1 130 130 LEU HA H 1 4.935 0.02 . 1 . . . A 130 LEU HA . 25798 1 1576 . 1 1 130 130 LEU HB2 H 1 1.952 0.02 . 1 . . . A 130 LEU HB2 . 25798 1 1577 . 1 1 130 130 LEU HB3 H 1 1.397 0.02 . 1 . . . A 130 LEU HB3 . 25798 1 1578 . 1 1 130 130 LEU HG H 1 1.283 0.02 . 1 . . . A 130 LEU HG . 25798 1 1579 . 1 1 130 130 LEU HD11 H 1 0.748 0.02 . 1 . . . A 130 LEU HD11 . 25798 1 1580 . 1 1 130 130 LEU HD12 H 1 0.748 0.02 . 1 . . . A 130 LEU HD12 . 25798 1 1581 . 1 1 130 130 LEU HD13 H 1 0.748 0.02 . 1 . . . A 130 LEU HD13 . 25798 1 1582 . 1 1 130 130 LEU HD21 H 1 0.039 0.02 . 1 . . . A 130 LEU HD21 . 25798 1 1583 . 1 1 130 130 LEU HD22 H 1 0.039 0.02 . 1 . . . A 130 LEU HD22 . 25798 1 1584 . 1 1 130 130 LEU HD23 H 1 0.039 0.02 . 1 . . . A 130 LEU HD23 . 25798 1 1585 . 1 1 130 130 LEU C C 13 176.014 0.4 . 1 . . . A 130 LEU C . 25798 1 1586 . 1 1 130 130 LEU CA C 13 54.419 0.4 . 1 . . . A 130 LEU CA . 25798 1 1587 . 1 1 130 130 LEU CB C 13 45.907 0.4 . 1 . . . A 130 LEU CB . 25798 1 1588 . 1 1 130 130 LEU CG C 13 27.928 0.4 . 1 . . . A 130 LEU CG . 25798 1 1589 . 1 1 130 130 LEU CD1 C 13 24.3 0.4 . 1 . . . A 130 LEU CD1 . 25798 1 1590 . 1 1 130 130 LEU CD2 C 13 25.708 0.4 . 1 . . . A 130 LEU CD2 . 25798 1 1591 . 1 1 130 130 LEU N N 15 121.682 0.4 . 1 . . . A 130 LEU N . 25798 1 1592 . 1 1 131 131 SER H H 1 8.665 0.02 . 1 . . . A 131 SER H . 25798 1 1593 . 1 1 131 131 SER HA H 1 5.537 0.02 . 1 . . . A 131 SER HA . 25798 1 1594 . 1 1 131 131 SER HB2 H 1 3.908 0.02 . 1 . . . A 131 SER HB2 . 25798 1 1595 . 1 1 131 131 SER HB3 H 1 4.091 0.02 . 1 . . . A 131 SER HB3 . 25798 1 1596 . 1 1 131 131 SER C C 13 172.071 0.4 . 1 . . . A 131 SER C . 25798 1 1597 . 1 1 131 131 SER CA C 13 57.883 0.4 . 1 . . . A 131 SER CA . 25798 1 1598 . 1 1 131 131 SER CB C 13 64.75 0.4 . 1 . . . A 131 SER CB . 25798 1 1599 . 1 1 131 131 SER N N 15 123.083 0.4 . 1 . . . A 131 SER N . 25798 1 1600 . 1 1 132 132 VAL H H 1 9.271 0.02 . 1 . . . A 132 VAL H . 25798 1 1601 . 1 1 132 132 VAL HA H 1 4.726 0.02 . 1 . . . A 132 VAL HA . 25798 1 1602 . 1 1 132 132 VAL HB H 1 2.291 0.02 . 1 . . . A 132 VAL HB . 25798 1 1603 . 1 1 132 132 VAL HG11 H 1 0.539 0.02 . 1 . . . A 132 VAL HG11 . 25798 1 1604 . 1 1 132 132 VAL HG12 H 1 0.539 0.02 . 1 . . . A 132 VAL HG12 . 25798 1 1605 . 1 1 132 132 VAL HG13 H 1 0.539 0.02 . 1 . . . A 132 VAL HG13 . 25798 1 1606 . 1 1 132 132 VAL HG21 H 1 0.601 0.02 . 1 . . . A 132 VAL HG21 . 25798 1 1607 . 1 1 132 132 VAL HG22 H 1 0.601 0.02 . 1 . . . A 132 VAL HG22 . 25798 1 1608 . 1 1 132 132 VAL HG23 H 1 0.601 0.02 . 1 . . . A 132 VAL HG23 . 25798 1 1609 . 1 1 132 132 VAL C C 13 175.683 0.4 . 1 . . . A 132 VAL C . 25798 1 1610 . 1 1 132 132 VAL CA C 13 60.993 0.4 . 1 . . . A 132 VAL CA . 25798 1 1611 . 1 1 132 132 VAL CB C 13 34.308 0.4 . 1 . . . A 132 VAL CB . 25798 1 1612 . 1 1 132 132 VAL CG1 C 13 20.931 0.4 . 1 . . . A 132 VAL CG1 . 25798 1 1613 . 1 1 132 132 VAL CG2 C 13 21.194 0.4 . 1 . . . A 132 VAL CG2 . 25798 1 1614 . 1 1 132 132 VAL N N 15 124.882 0.4 . 1 . . . A 132 VAL N . 25798 1 1615 . 1 1 133 133 PHE H H 1 9.486 0.02 . 1 . . . A 133 PHE H . 25798 1 1616 . 1 1 133 133 PHE HA H 1 4.616 0.02 . 1 . . . A 133 PHE HA . 25798 1 1617 . 1 1 133 133 PHE HB2 H 1 2.973 0.02 . 1 . . . A 133 PHE HB2 . 25798 1 1618 . 1 1 133 133 PHE HB3 H 1 3.12 0.02 . 1 . . . A 133 PHE HB3 . 25798 1 1619 . 1 1 133 133 PHE HD1 H 1 7.231 0.02 . 1 . . . A 133 PHE HD1 . 25798 1 1620 . 1 1 133 133 PHE HD2 H 1 7.231 0.02 . 1 . . . A 133 PHE HD2 . 25798 1 1621 . 1 1 133 133 PHE HE1 H 1 7.359 0.02 . 1 . . . A 133 PHE HE1 . 25798 1 1622 . 1 1 133 133 PHE HE2 H 1 7.359 0.02 . 1 . . . A 133 PHE HE2 . 25798 1 1623 . 1 1 133 133 PHE HZ H 1 7.354 0.02 . 1 . . . A 133 PHE HZ . 25798 1 1624 . 1 1 133 133 PHE C C 13 173.591 0.4 . 1 . . . A 133 PHE C . 25798 1 1625 . 1 1 133 133 PHE CA C 13 57.657 0.4 . 1 . . . A 133 PHE CA . 25798 1 1626 . 1 1 133 133 PHE CB C 13 41.257 0.4 . 1 . . . A 133 PHE CB . 25798 1 1627 . 1 1 133 133 PHE CD2 C 13 131.632 0.4 . 1 . . . A 133 PHE CD2 . 25798 1 1628 . 1 1 133 133 PHE CE2 C 13 131.684 0.4 . 1 . . . A 133 PHE CE2 . 25798 1 1629 . 1 1 133 133 PHE CZ C 13 129.776 0.4 . 1 . . . A 133 PHE CZ . 25798 1 1630 . 1 1 133 133 PHE N N 15 130.351 0.4 . 1 . . . A 133 PHE N . 25798 1 1631 . 1 1 134 134 VAL H H 1 6.747 0.02 . 1 . . . A 134 VAL H . 25798 1 1632 . 1 1 134 134 VAL HA H 1 5.327 0.02 . 1 . . . A 134 VAL HA . 25798 1 1633 . 1 1 134 134 VAL HB H 1 1.712 0.02 . 1 . . . A 134 VAL HB . 25798 1 1634 . 1 1 134 134 VAL HG11 H 1 0.578 0.02 . 1 . . . A 134 VAL HG11 . 25798 1 1635 . 1 1 134 134 VAL HG12 H 1 0.578 0.02 . 1 . . . A 134 VAL HG12 . 25798 1 1636 . 1 1 134 134 VAL HG13 H 1 0.578 0.02 . 1 . . . A 134 VAL HG13 . 25798 1 1637 . 1 1 134 134 VAL HG21 H 1 0.751 0.02 . 1 . . . A 134 VAL HG21 . 25798 1 1638 . 1 1 134 134 VAL HG22 H 1 0.751 0.02 . 1 . . . A 134 VAL HG22 . 25798 1 1639 . 1 1 134 134 VAL HG23 H 1 0.751 0.02 . 1 . . . A 134 VAL HG23 . 25798 1 1640 . 1 1 134 134 VAL C C 13 176.286 0.4 . 1 . . . A 134 VAL C . 25798 1 1641 . 1 1 134 134 VAL CA C 13 59.99 0.4 . 1 . . . A 134 VAL CA . 25798 1 1642 . 1 1 134 134 VAL CB C 13 33.668 0.4 . 1 . . . A 134 VAL CB . 25798 1 1643 . 1 1 134 134 VAL CG1 C 13 20.157 0.4 . 1 . . . A 134 VAL CG1 . 25798 1 1644 . 1 1 134 134 VAL CG2 C 13 19.897 0.4 . 1 . . . A 134 VAL CG2 . 25798 1 1645 . 1 1 134 134 VAL N N 15 124.133 0.4 . 1 . . . A 134 VAL N . 25798 1 1646 . 1 1 135 135 THR H H 1 8.792 0.02 . 1 . . . A 135 THR H . 25798 1 1647 . 1 1 135 135 THR HA H 1 4.447 0.02 . 1 . . . A 135 THR HA . 25798 1 1648 . 1 1 135 135 THR HB H 1 4.199 0.02 . 1 . . . A 135 THR HB . 25798 1 1649 . 1 1 135 135 THR HG21 H 1 1.145 0.02 . 1 . . . A 135 THR HG21 . 25798 1 1650 . 1 1 135 135 THR HG22 H 1 1.145 0.02 . 1 . . . A 135 THR HG22 . 25798 1 1651 . 1 1 135 135 THR HG23 H 1 1.145 0.02 . 1 . . . A 135 THR HG23 . 25798 1 1652 . 1 1 135 135 THR C C 13 173.291 0.4 . 1 . . . A 135 THR C . 25798 1 1653 . 1 1 135 135 THR CA C 13 60.492 0.4 . 1 . . . A 135 THR CA . 25798 1 1654 . 1 1 135 135 THR CB C 13 69.953 0.4 . 1 . . . A 135 THR CB . 25798 1 1655 . 1 1 135 135 THR CG2 C 13 22.042 0.4 . 1 . . . A 135 THR CG2 . 25798 1 1656 . 1 1 135 135 THR N N 15 122.255 0.4 . 1 . . . A 135 THR N . 25798 1 1657 . 1 1 136 136 ALA H H 1 8.457 0.02 . 1 . . . A 136 ALA H . 25798 1 1658 . 1 1 136 136 ALA HA H 1 4.481 0.02 . 1 . . . A 136 ALA HA . 25798 1 1659 . 1 1 136 136 ALA HB1 H 1 1.391 0.02 . 1 . . . A 136 ALA HB1 . 25798 1 1660 . 1 1 136 136 ALA HB2 H 1 1.391 0.02 . 1 . . . A 136 ALA HB2 . 25798 1 1661 . 1 1 136 136 ALA HB3 H 1 1.391 0.02 . 1 . . . A 136 ALA HB3 . 25798 1 1662 . 1 1 136 136 ALA C C 13 177.96 0.4 . 1 . . . A 136 ALA C . 25798 1 1663 . 1 1 136 136 ALA CA C 13 51.858 0.4 . 1 . . . A 136 ALA CA . 25798 1 1664 . 1 1 136 136 ALA CB C 13 20.22 0.4 . 1 . . . A 136 ALA CB . 25798 1 1665 . 1 1 136 136 ALA N N 15 125.204 0.4 . 1 . . . A 136 ALA N . 25798 1 1666 . 1 1 137 137 LEU H H 1 8.804 0.02 . 1 . . . A 137 LEU H . 25798 1 1667 . 1 1 137 137 LEU HA H 1 4.347 0.02 . 1 . . . A 137 LEU HA . 25798 1 1668 . 1 1 137 137 LEU HB2 H 1 1.605 0.02 . 1 . . . A 137 LEU HB2 . 25798 1 1669 . 1 1 137 137 LEU HB3 H 1 1.565 0.02 . 1 . . . A 137 LEU HB3 . 25798 1 1670 . 1 1 137 137 LEU HG H 1 1.549 0.02 . 1 . . . A 137 LEU HG . 25798 1 1671 . 1 1 137 137 LEU HD11 H 1 0.905 0.02 . 1 . . . A 137 LEU HD11 . 25798 1 1672 . 1 1 137 137 LEU HD12 H 1 0.905 0.02 . 1 . . . A 137 LEU HD12 . 25798 1 1673 . 1 1 137 137 LEU HD13 H 1 0.905 0.02 . 1 . . . A 137 LEU HD13 . 25798 1 1674 . 1 1 137 137 LEU HD21 H 1 0.872 0.02 . 1 . . . A 137 LEU HD21 . 25798 1 1675 . 1 1 137 137 LEU HD22 H 1 0.872 0.02 . 1 . . . A 137 LEU HD22 . 25798 1 1676 . 1 1 137 137 LEU HD23 H 1 0.872 0.02 . 1 . . . A 137 LEU HD23 . 25798 1 1677 . 1 1 137 137 LEU C C 13 177.605 0.4 . 1 . . . A 137 LEU C . 25798 1 1678 . 1 1 137 137 LEU CA C 13 55.607 0.4 . 1 . . . A 137 LEU CA . 25798 1 1679 . 1 1 137 137 LEU CB C 13 42.398 0.4 . 1 . . . A 137 LEU CB . 25798 1 1680 . 1 1 137 137 LEU CG C 13 27.137 0.4 . 1 . . . A 137 LEU CG . 25798 1 1681 . 1 1 137 137 LEU CD1 C 13 24.691 0.4 . 1 . . . A 137 LEU CD1 . 25798 1 1682 . 1 1 137 137 LEU CD2 C 13 24.258 0.4 . 1 . . . A 137 LEU CD2 . 25798 1 1683 . 1 1 137 137 LEU N N 15 122.81 0.4 . 1 . . . A 137 LEU N . 25798 1 1684 . 1 1 138 138 THR H H 1 8.238 0.02 . 1 . . . A 138 THR H . 25798 1 1685 . 1 1 138 138 THR HA H 1 4.326 0.02 . 1 . . . A 138 THR HA . 25798 1 1686 . 1 1 138 138 THR HB H 1 4.181 0.02 . 1 . . . A 138 THR HB . 25798 1 1687 . 1 1 138 138 THR HG21 H 1 1.159 0.02 . 1 . . . A 138 THR HG21 . 25798 1 1688 . 1 1 138 138 THR HG22 H 1 1.159 0.02 . 1 . . . A 138 THR HG22 . 25798 1 1689 . 1 1 138 138 THR HG23 H 1 1.159 0.02 . 1 . . . A 138 THR HG23 . 25798 1 1690 . 1 1 138 138 THR C C 13 174.285 0.4 . 1 . . . A 138 THR C . 25798 1 1691 . 1 1 138 138 THR CA C 13 61.555 0.4 . 1 . . . A 138 THR CA . 25798 1 1692 . 1 1 138 138 THR CB C 13 70.017 0.4 . 1 . . . A 138 THR CB . 25798 1 1693 . 1 1 138 138 THR CG2 C 13 21.513 0.4 . 1 . . . A 138 THR CG2 . 25798 1 1694 . 1 1 138 138 THR N N 15 116.141 0.4 . 1 . . . A 138 THR N . 25798 1 1695 . 1 1 139 139 HIS H H 1 8.38 0.02 . 1 . . . A 139 HIS H . 25798 1 1696 . 1 1 139 139 HIS HA H 1 4.61 0.02 . 1 . . . A 139 HIS HA . 25798 1 1697 . 1 1 139 139 HIS HB2 H 1 3.16 0.02 . 2 . . . A 139 HIS HB2 . 25798 1 1698 . 1 1 139 139 HIS HB3 H 1 3.087 0.02 . 2 . . . A 139 HIS HB3 . 25798 1 1699 . 1 1 139 139 HIS HD2 H 1 7.045 0.02 . 1 . . . A 139 HIS HD2 . 25798 1 1700 . 1 1 139 139 HIS HE1 H 1 7.857 0.02 . 1 . . . A 139 HIS HE1 . 25798 1 1701 . 1 1 139 139 HIS C C 13 175.949 0.4 . 1 . . . A 139 HIS C . 25798 1 1702 . 1 1 139 139 HIS CA C 13 56.693 0.4 . 1 . . . A 139 HIS CA . 25798 1 1703 . 1 1 139 139 HIS CB C 13 30.941 0.4 . 1 . . . A 139 HIS CB . 25798 1 1704 . 1 1 139 139 HIS CD2 C 13 119.858 0.4 . 1 . . . A 139 HIS CD2 . 25798 1 1705 . 1 1 139 139 HIS CE1 C 13 138.407 0.4 . 1 . . . A 139 HIS CE1 . 25798 1 1706 . 1 1 139 139 HIS N N 15 122.153 0.4 . 1 . . . A 139 HIS N . 25798 1 1707 . 1 1 140 140 GLY H H 1 8.465 0.02 . 1 . . . A 140 GLY H . 25798 1 1708 . 1 1 140 140 GLY HA2 H 1 3.972 0.02 . 2 . . . A 140 GLY HA2 . 25798 1 1709 . 1 1 140 140 GLY HA3 H 1 3.92 0.02 . 2 . . . A 140 GLY HA3 . 25798 1 1710 . 1 1 140 140 GLY C C 13 174.137 0.4 . 1 . . . A 140 GLY C . 25798 1 1711 . 1 1 140 140 GLY CA C 13 45.332 0.4 . 1 . . . A 140 GLY CA . 25798 1 1712 . 1 1 140 140 GLY N N 15 110.575 0.4 . 1 . . . A 140 GLY N . 25798 1 1713 . 1 1 141 141 SER H H 1 8.274 0.02 . 1 . . . A 141 SER H . 25798 1 1714 . 1 1 141 141 SER HA H 1 4.455 0.02 . 1 . . . A 141 SER HA . 25798 1 1715 . 1 1 141 141 SER HB2 H 1 3.862 0.02 . 1 . . . A 141 SER HB2 . 25798 1 1716 . 1 1 141 141 SER HB3 H 1 3.862 0.02 . 1 . . . A 141 SER HB3 . 25798 1 1717 . 1 1 141 141 SER C C 13 174.468 0.4 . 1 . . . A 141 SER C . 25798 1 1718 . 1 1 141 141 SER CA C 13 58.377 0.4 . 1 . . . A 141 SER CA . 25798 1 1719 . 1 1 141 141 SER CB C 13 63.958 0.4 . 1 . . . A 141 SER CB . 25798 1 1720 . 1 1 141 141 SER N N 15 115.648 0.4 . 1 . . . A 141 SER N . 25798 1 1721 . 1 1 142 142 LEU H H 1 8.392 0.02 . 1 . . . A 142 LEU H . 25798 1 1722 . 1 1 142 142 LEU HA H 1 4.389 0.02 . 1 . . . A 142 LEU HA . 25798 1 1723 . 1 1 142 142 LEU HB2 H 1 1.597 0.02 . 1 . . . A 142 LEU HB2 . 25798 1 1724 . 1 1 142 142 LEU HB3 H 1 1.644 0.02 . 1 . . . A 142 LEU HB3 . 25798 1 1725 . 1 1 142 142 LEU HG H 1 0.887 0.02 . 1 . . . A 142 LEU HG . 25798 1 1726 . 1 1 142 142 LEU HD11 H 1 0.911 0.02 . 1 . . . A 142 LEU HD11 . 25798 1 1727 . 1 1 142 142 LEU HD12 H 1 0.911 0.02 . 1 . . . A 142 LEU HD12 . 25798 1 1728 . 1 1 142 142 LEU HD13 H 1 0.911 0.02 . 1 . . . A 142 LEU HD13 . 25798 1 1729 . 1 1 142 142 LEU HD21 H 1 0.853 0.02 . 1 . . . A 142 LEU HD21 . 25798 1 1730 . 1 1 142 142 LEU HD22 H 1 0.853 0.02 . 1 . . . A 142 LEU HD22 . 25798 1 1731 . 1 1 142 142 LEU HD23 H 1 0.853 0.02 . 1 . . . A 142 LEU HD23 . 25798 1 1732 . 1 1 142 142 LEU C C 13 177.087 0.4 . 1 . . . A 142 LEU C . 25798 1 1733 . 1 1 142 142 LEU CA C 13 55.18 0.4 . 1 . . . A 142 LEU CA . 25798 1 1734 . 1 1 142 142 LEU CB C 13 42.301 0.4 . 1 . . . A 142 LEU CB . 25798 1 1735 . 1 1 142 142 LEU CG C 13 27.313 0.4 . 1 . . . A 142 LEU CG . 25798 1 1736 . 1 1 142 142 LEU CD1 C 13 24.886 0.4 . 1 . . . A 142 LEU CD1 . 25798 1 1737 . 1 1 142 142 LEU CD2 C 13 23.464 0.4 . 1 . . . A 142 LEU CD2 . 25798 1 1738 . 1 1 142 142 LEU N N 15 124.262 0.4 . 1 . . . A 142 LEU N . 25798 1 1739 . 1 1 143 143 VAL H H 1 8.076 0.02 . 1 . . . A 143 VAL H . 25798 1 1740 . 1 1 143 143 VAL HA H 1 4.388 0.02 . 1 . . . A 143 VAL HA . 25798 1 1741 . 1 1 143 143 VAL HB H 1 2.049 0.02 . 1 . . . A 143 VAL HB . 25798 1 1742 . 1 1 143 143 VAL HG11 H 1 0.964 0.02 . 1 . . . A 143 VAL HG11 . 25798 1 1743 . 1 1 143 143 VAL HG12 H 1 0.964 0.02 . 1 . . . A 143 VAL HG12 . 25798 1 1744 . 1 1 143 143 VAL HG13 H 1 0.964 0.02 . 1 . . . A 143 VAL HG13 . 25798 1 1745 . 1 1 143 143 VAL HG21 H 1 0.93 0.02 . 1 . . . A 143 VAL HG21 . 25798 1 1746 . 1 1 143 143 VAL HG22 H 1 0.93 0.02 . 1 . . . A 143 VAL HG22 . 25798 1 1747 . 1 1 143 143 VAL HG23 H 1 0.93 0.02 . 1 . . . A 143 VAL HG23 . 25798 1 1748 . 1 1 143 143 VAL C C 13 174.382 0.4 . 1 . . . A 143 VAL C . 25798 1 1749 . 1 1 143 143 VAL CA C 13 59.867 0.4 . 1 . . . A 143 VAL CA . 25798 1 1750 . 1 1 143 143 VAL CB C 13 32.72 0.4 . 1 . . . A 143 VAL CB . 25798 1 1751 . 1 1 143 143 VAL CG1 C 13 20.978 0.4 . 1 . . . A 143 VAL CG1 . 25798 1 1752 . 1 1 143 143 VAL CG2 C 13 20.441 0.4 . 1 . . . A 143 VAL CG2 . 25798 1 1753 . 1 1 143 143 VAL N N 15 122.862 0.4 . 1 . . . A 143 VAL N . 25798 1 1754 . 1 1 144 144 PRO HA H 1 4.39 0.02 . 1 . . . A 144 PRO HA . 25798 1 1755 . 1 1 144 144 PRO HB2 H 1 2.268 0.02 . 2 . . . A 144 PRO HB2 . 25798 1 1756 . 1 1 144 144 PRO HB3 H 1 1.944 0.02 . 2 . . . A 144 PRO HB3 . 25798 1 1757 . 1 1 144 144 PRO HG2 H 1 2.057 0.02 . 2 . . . A 144 PRO HG2 . 25798 1 1758 . 1 1 144 144 PRO HG3 H 1 1.952 0.02 . 2 . . . A 144 PRO HG3 . 25798 1 1759 . 1 1 144 144 PRO HD2 H 1 3.684 0.02 . 1 . . . A 144 PRO HD2 . 25798 1 1760 . 1 1 144 144 PRO HD3 H 1 3.874 0.02 . 1 . . . A 144 PRO HD3 . 25798 1 1761 . 1 1 144 144 PRO C C 13 175.977 0.4 . 1 . . . A 144 PRO C . 25798 1 1762 . 1 1 144 144 PRO CA C 13 63.434 0.4 . 1 . . . A 144 PRO CA . 25798 1 1763 . 1 1 144 144 PRO CB C 13 31.998 0.4 . 1 . . . A 144 PRO CB . 25798 1 1764 . 1 1 144 144 PRO CG C 13 27.401 0.4 . 1 . . . A 144 PRO CG . 25798 1 1765 . 1 1 144 144 PRO CD C 13 51.117 0.4 . 1 . . . A 144 PRO CD . 25798 1 1766 . 1 1 145 145 ARG H H 1 8.026 0.02 . 1 . . . A 145 ARG H . 25798 1 1767 . 1 1 145 145 ARG HA H 1 4.166 0.02 . 1 . . . A 145 ARG HA . 25798 1 1768 . 1 1 145 145 ARG HB2 H 1 1.839 0.02 . 2 . . . A 145 ARG HB2 . 25798 1 1769 . 1 1 145 145 ARG HB3 H 1 1.716 0.02 . 2 . . . A 145 ARG HB3 . 25798 1 1770 . 1 1 145 145 ARG HG2 H 1 1.632 0.02 . 1 . . . A 145 ARG HG2 . 25798 1 1771 . 1 1 145 145 ARG HG3 H 1 1.632 0.02 . 1 . . . A 145 ARG HG3 . 25798 1 1772 . 1 1 145 145 ARG HD2 H 1 3.196 0.02 . 1 . . . A 145 ARG HD2 . 25798 1 1773 . 1 1 145 145 ARG HD3 H 1 3.196 0.02 . 1 . . . A 145 ARG HD3 . 25798 1 1774 . 1 1 145 145 ARG CA C 13 57.407 0.4 . 1 . . . A 145 ARG CA . 25798 1 1775 . 1 1 145 145 ARG CB C 13 31.681 0.4 . 1 . . . A 145 ARG CB . 25798 1 1776 . 1 1 145 145 ARG CG C 13 27.196 0.4 . 1 . . . A 145 ARG CG . 25798 1 1777 . 1 1 145 145 ARG CD C 13 43.457 0.4 . 1 . . . A 145 ARG CD . 25798 1 1778 . 1 1 145 145 ARG N N 15 126.828 0.4 . 1 . . . A 145 ARG N . 25798 1 stop_ save_