data_19353 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19353 _Entry.Title ; Structure of alpha-synuclein in complex with an engineered binding protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-09 _Entry.Accession_date 2013-07-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; An engineered binding protein to alpha-synuclein was selected from a combinatorial protein library based on an engineered binding protein to the Amyloid-beta peptide (pdb: 2OTK). The solution structure of the complex reveals the formation of a beta-hairpin in the sequence region comprising residues 37-54 of alpha-synuclein. Complex formation is associated with inhibition of alpha-synuclein aggregation and neurotoxicity, demonstrating a critical role of this region for alpha-synuclein misfolding. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ewa Mirecka . A. . 19353 2 Hamed Shaykhalishahi . . . 19353 3 Justin Lecher . . . 19353 4 Matthias Stoldt . . . 19353 5 Wolfgang Hoyer . . . 19353 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' . 19353 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of Physical Biology' . 19353 2 . 'Institute of Structural Biochemistry (ICS-6)' . 19353 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID amyloid . 19353 'Parkinson's disease' . 19353 'protein aggregation' . 19353 'protein engineering' . 19353 'protein misfolding' . 19353 'scaffold proteins' . 19353 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19353 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 450 19353 '15N chemical shifts' 113 19353 '1H chemical shifts' 744 19353 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 . . 2014-05-02 2013-07-09 update BMRB 'update entry citation' 19353 1 . . 2014-04-14 2013-07-09 original author 'original release' 19353 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19353 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24623599 _Citation.Full_citation . _Citation.Title 'Sequestration of a -Hairpin for Control of -Synuclein Aggregation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full 'Angewandte Chemie (International ed. in English)' _Citation.Journal_volume 53 _Citation.Journal_issue 16 _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 4227 _Citation.Page_last 4230 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ewa Mirecka . A. . 19353 1 2 Hamed Shaykhalishahi . . . 19353 1 3 Aziz Gauhar . . . 19353 1 4 Serife Akgul . . . 19353 1 5 Justin Lecher . . . 19353 1 6 Dieter Willbold . . . 19353 1 7 Matthias Stoldt . . . 19353 1 8 Wolfgang Hoyer . . . 19353 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19353 _Assembly.ID 1 _Assembly.Name AS69_ASyn _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 12361.6792 _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 'AS69 OX, 1' 1 $AS69_OX A . yes native yes no . . . 19353 1 2 'AS69 OX, 2' 1 $AS69_OX B . yes native yes no . . . 19353 1 3 A-Syn 2 $A-Syn C . yes native no no . . . 19353 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 'AS69 OX, 1' 1 CYS 16 16 SG . 2 'AS69 OX, 2' 1 CYS 16 16 SG . . . . . . . . . . 19353 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AS69_OX _Entity.Sf_category entity _Entity.Sf_framecode AS69_OX _Entity.Entry_ID 19353 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AS69_OX _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DGEIFYLPNLNPDQLCAFFH SVHDDPSQSANLLAEAKKLN DAQAPK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 46 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5080.5829 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 4BXL . "Structure Of Alpha-synuclein In Complex With An Engineered Binding Protein" . . . . . 100.00 46 100.00 100.00 9.92e-24 . . . . 19353 1 2 no GB KDP53000 . "LPXTG cell wall anchor domain protein, partial [Staphylococcus aureus subsp. aureus CO-86]" . . . . . 50.00 254 100.00 100.00 5.54e-04 . . . . 19353 1 3 no GB KPM69514 . "hypothetical protein MZ09_11625, partial [Staphylococcus aureus]" . . . . . 50.00 263 100.00 100.00 5.15e-04 . . . . 19353 1 4 no GB KPM72584 . "hypothetical protein AM595_06835, partial [Staphylococcus aureus]" . . . . . 50.00 263 100.00 100.00 5.15e-04 . . . . 19353 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 . ASP . 19353 1 2 . GLY . 19353 1 3 . GLU . 19353 1 4 . ILE . 19353 1 5 . PHE . 19353 1 6 . TYR . 19353 1 7 . LEU . 19353 1 8 . PRO . 19353 1 9 . ASN . 19353 1 10 . LEU . 19353 1 11 . ASN . 19353 1 12 . PRO . 19353 1 13 . ASP . 19353 1 14 . GLN . 19353 1 15 . LEU . 19353 1 16 . CYS . 19353 1 17 . ALA . 19353 1 18 . PHE . 19353 1 19 . PHE . 19353 1 20 . HIS . 19353 1 21 . SER . 19353 1 22 . VAL . 19353 1 23 . HIS . 19353 1 24 . ASP . 19353 1 25 . ASP . 19353 1 26 . PRO . 19353 1 27 . SER . 19353 1 28 . GLN . 19353 1 29 . SER . 19353 1 30 . ALA . 19353 1 31 . ASN . 19353 1 32 . LEU . 19353 1 33 . LEU . 19353 1 34 . ALA . 19353 1 35 . GLU . 19353 1 36 . ALA . 19353 1 37 . LYS . 19353 1 38 . LYS . 19353 1 39 . LEU . 19353 1 40 . ASN . 19353 1 41 . ASP . 19353 1 42 . ALA . 19353 1 43 . GLN . 19353 1 44 . ALA . 19353 1 45 . PRO . 19353 1 46 . LYS . 19353 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 . ASP 1 1 19353 1 . GLY 2 2 19353 1 . GLU 3 3 19353 1 . ILE 4 4 19353 1 . PHE 5 5 19353 1 . TYR 6 6 19353 1 . LEU 7 7 19353 1 . PRO 8 8 19353 1 . ASN 9 9 19353 1 . LEU 10 10 19353 1 . ASN 11 11 19353 1 . PRO 12 12 19353 1 . ASP 13 13 19353 1 . GLN 14 14 19353 1 . LEU 15 15 19353 1 . CYS 16 16 19353 1 . ALA 17 17 19353 1 . PHE 18 18 19353 1 . PHE 19 19 19353 1 . HIS 20 20 19353 1 . SER 21 21 19353 1 . VAL 22 22 19353 1 . HIS 23 23 19353 1 . ASP 24 24 19353 1 . ASP 25 25 19353 1 . PRO 26 26 19353 1 . SER 27 27 19353 1 . GLN 28 28 19353 1 . SER 29 29 19353 1 . ALA 30 30 19353 1 . ASN 31 31 19353 1 . LEU 32 32 19353 1 . LEU 33 33 19353 1 . ALA 34 34 19353 1 . GLU 35 35 19353 1 . ALA 36 36 19353 1 . LYS 37 37 19353 1 . LYS 38 38 19353 1 . LEU 39 39 19353 1 . ASN 40 40 19353 1 . ASP 41 41 19353 1 . ALA 42 42 19353 1 . GLN 43 43 19353 1 . ALA 44 44 19353 1 . PRO 45 45 19353 1 . LYS 46 46 19353 1 stop_ save_ save_A-Syn _Entity.Sf_category entity _Entity.Sf_framecode A-Syn _Entity.Entry_ID 19353 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name A-Syn _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EGVLYVGSKTKEGVVHGVAT VA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 22 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2200.5134 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 UniProt P37840 . P37840 . . . . . . . . . . . . . . 19353 2 2 no BMRB 16300 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 3 no BMRB 16302 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 4 no BMRB 16342 . human_a-synuclein . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 5 no BMRB 16543 . "monomer alpha-synuclein" . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 6 no BMRB 16546 . A30P_alpha-synuclein . . . . . 100.00 140 100.00 100.00 2.73e-04 . . . . 19353 2 7 no BMRB 16904 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 8 no BMRB 16939 . WT_alpha-synuclein_fibrils . . . . . 100.00 140 100.00 100.00 2.73e-04 . . . . 19353 2 9 no BMRB 17214 . A30P_alpha-synuclein . . . . . 100.00 140 100.00 100.00 2.73e-04 . . . . 19353 2 10 no BMRB 17498 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 11 no BMRB 17648 . A30P_alpha-synuclein . . . . . 100.00 140 100.00 100.00 2.52e-04 . . . . 19353 2 12 no BMRB 17665 . aSyn . . . . . 100.00 150 100.00 100.00 3.12e-04 . . . . 19353 2 13 no BMRB 17910 . wild-type_alpha-synuclein_formed_in_phospholipid_vesicles . . . . . 100.00 140 100.00 100.00 2.73e-04 . . . . 19353 2 14 no BMRB 18243 . alpha-synuclein_fibrils . . . . . 100.00 140 100.00 100.00 2.73e-04 . . . . 19353 2 15 no BMRB 18857 . alpha_synuclein . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 16 no BMRB 18860 . a-synuclein . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 17 no BMRB 19257 . Alpha-synuclein . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 18 no BMRB 19337 . aSyn . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 19 no BMRB 19344 . aSyn_S87N . . . . . 100.00 140 100.00 100.00 2.70e-04 . . . . 19353 2 20 no BMRB 19347 . aSyn_mouse_T53A . . . . . 100.00 140 100.00 100.00 3.34e-04 . . . . 19353 2 21 no BMRB 19349 . aSyn_mouse_T53A&N87S . . . . . 100.00 139 100.00 100.00 3.38e-04 . . . . 19353 2 22 no BMRB 19350 . acet_aSyn . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 23 no BMRB 5744 . alpha-synuclein . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 24 no BMRB 6968 . naturally_unfolded_alpha-synuclein . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 25 no PDB 1XQ8 . "Human Micelle-Bound Alpha-Synuclein" . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 26 no PDB 2KKW . "Slas-Micelle Bound Alpha-Synuclein" . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 27 no PDB 3Q27 . "Cyrstal Structure Of Human Alpha-Synuclein (32-57) Fused To Maltose Binding Protein (Mbp)" . . . . . 100.00 397 100.00 100.00 8.19e-04 . . . . 19353 2 28 no PDB 4BXL . "Structure Of Alpha-synuclein In Complex With An Engineered Binding Protein" . . . . . 100.00 22 100.00 100.00 4.24e-04 . . . . 19353 2 29 no DBJ BAA06625 . "NACP112 [Homo sapiens]" . . . . . 100.00 112 100.00 100.00 3.18e-04 . . . . 19353 2 30 no DBJ BAF82858 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 31 no DBJ BAG73790 . "synuclein, alpha [synthetic construct]" . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 32 no EMBL CAG33339 . "SNCA [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 33 no EMBL CAG46454 . "SNCA [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 34 no GB AAA16117 . "AD amyloid [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 35 no GB AAA98487 . "synuclein [Homo sapiens]" . . . . . 100.00 112 100.00 100.00 3.18e-04 . . . . 19353 2 36 no GB AAC02114 . "NACP/alpha-synuclein [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 2.87e-04 . . . . 19353 2 37 no GB AAG30302 . "SNCA isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 38 no GB AAG30303 . "SNCA isoform NACP112 [Homo sapiens]" . . . . . 100.00 112 100.00 100.00 3.18e-04 . . . . 19353 2 39 no REF NP_000336 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 40 no REF NP_001009158 . "alpha-synuclein [Pan troglodytes]" . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 41 no REF NP_001129014 . "alpha-synuclein [Pongo abelii]" . . . . . 100.00 140 100.00 100.00 2.78e-04 . . . . 19353 2 42 no REF NP_001139526 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 43 no REF NP_001139527 . "alpha-synuclein isoform NACP140 [Homo sapiens]" . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 44 no SP P37840 . "RecName: Full=Alpha-synuclein; AltName: Full=Non-A beta component of AD amyloid; AltName: Full=Non-A4 component of amyloid prec" . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 45 no SP P61139 . "RecName: Full=Alpha-synuclein [Erythrocebus patas]" . . . . . 100.00 140 100.00 100.00 2.62e-04 . . . . 19353 2 46 no SP P61140 . "RecName: Full=Alpha-synuclein [Gorilla gorilla gorilla]" . . . . . 100.00 140 100.00 100.00 2.67e-04 . . . . 19353 2 47 no SP P61142 . "RecName: Full=Alpha-synuclein [Macaca fascicularis]" . . . . . 100.00 140 100.00 100.00 2.47e-04 . . . . 19353 2 48 no SP P61143 . "RecName: Full=Alpha-synuclein [Macaca mulatta]" . . . . . 100.00 140 100.00 100.00 2.47e-04 . . . . 19353 2 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 . GLU . 19353 2 2 . GLY . 19353 2 3 . VAL . 19353 2 4 . LEU . 19353 2 5 . TYR . 19353 2 6 . VAL . 19353 2 7 . GLY . 19353 2 8 . SER . 19353 2 9 . LYS . 19353 2 10 . THR . 19353 2 11 . LYS . 19353 2 12 . GLU . 19353 2 13 . GLY . 19353 2 14 . VAL . 19353 2 15 . VAL . 19353 2 16 . HIS . 19353 2 17 . GLY . 19353 2 18 . VAL . 19353 2 19 . ALA . 19353 2 20 . THR . 19353 2 21 . VAL . 19353 2 22 . ALA . 19353 2 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 . GLU 1 1 19353 2 . GLY 2 2 19353 2 . VAL 3 3 19353 2 . LEU 4 4 19353 2 . TYR 5 5 19353 2 . VAL 6 6 19353 2 . GLY 7 7 19353 2 . SER 8 8 19353 2 . LYS 9 9 19353 2 . THR 10 10 19353 2 . LYS 11 11 19353 2 . GLU 12 12 19353 2 . GLY 13 13 19353 2 . VAL 14 14 19353 2 . VAL 15 15 19353 2 . HIS 16 16 19353 2 . GLY 17 17 19353 2 . VAL 18 18 19353 2 . ALA 19 19 19353 2 . THR 20 20 19353 2 . VAL 21 21 19353 2 . ALA 22 22 19353 2 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 19353 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $AS69_OX . . organism . 'Synthetic construct' 'engineered binding protein' . . . . Synthetic construct . . . . . . . . . . . . . . . . . . . . . 19353 1 2 2 $A-Syn . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19353 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 19353 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $AS69_OX . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'BL21 (DE3)' DE3 . . . . BL21 . . . . . . . . . 'Champion pET302' . . . . . . 19353 1 2 2 $A-Syn . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'BL21 (DE3)' DE3 . . . . BL21 . . . . . . . . . pT7-7 . . . . . . 19353 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_AS69_CNAsyn _Sample.Sf_category sample _Sample.Sf_framecode AS69_CNAsyn _Sample.Entry_ID 19353 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 A-Syn '[U-13C; U-15N]' . . 2 $A-Syn . . 0.700 . . mM . . . . 19353 1 2 AS69 'natural abundance' . . 1 $AS69_OX . . 0.840 . . mM . . . . 19353 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19353 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19353 1 stop_ save_ save_CNAS69_Asyn _Sample.Sf_category sample _Sample.Sf_framecode CNAS69_Asyn _Sample.Entry_ID 19353 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 A-Syn 'natural abundance' . . 2 $A-Syn . . 0.840 . . mM . . . . 19353 2 2 AS69 '[U-13C; U-15N]' . . 1 $AS69_OX . . 0.700 . . mM . . . . 19353 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19353 2 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19353 2 stop_ save_ ####################### # Sample conditions # ####################### save_Standard_30 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Standard_30 _Sample_condition_list.Entry_ID 19353 _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' 0.070 . M 19353 1 pH 7.400 . pH 19353 1 pressure 1.000 . atm 19353 1 temperature 303.000 . K 19353 1 stop_ save_ ############################ # Computer software used # ############################ save_Aria _Software.Sf_category software _Software.Sf_framecode Aria _Software.Entry_ID 19353 _Software.ID 1 _Software.Name ARIA _Software.Version 2.3.2 _Software.Details 'Ambiguous Restraints for Iterative Assignment' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Benjamin Bardiaux and Michael Nilges' 'Institute Pasteur, Paris' http://aria.pasteur.fr/ 19353 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 19353 1 'structure calculation' 19353 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19353 _Software.ID 2 _Software.Name CNS _Software.Version 1.21 _Software.Details 'Crystallography and NMR system' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'A.T.Brunger and Micheal Nilges' 'Yale University, Yale' http://cns.csb.yale.edu/v1.21/ 19353 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 19353 2 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 19353 _Software.ID 3 _Software.Name ANALYSIS _Software.Version 2.2 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 19353 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 19353 3 'Data evaluation' 19353 3 stop_ save_ save_NmrPipe _Software.Sf_category software _Software.Sf_framecode NmrPipe _Software.Entry_ID 19353 _Software.ID 4 _Software.Name NMRPipe _Software.Version 7.9.2013.021.23.09 _Software.Details 'NMRPipe Spectral Processing and Analysis System' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH 'Laboratory of Chemical Physics, NIDDK, NIH, USA' http://spin.niddk.nih.gov/NMRPipe/ 19353 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID conversion 19353 4 processing 19353 4 stop_ save_ save_Talos+ _Software.Sf_category software _Software.Sf_framecode Talos+ _Software.Entry_ID 19353 _Software.ID 5 _Software.Name TALOS+ _Software.Version 3.80F1.2012.080.14.41 _Software.Details 'TALOS plus: A hybrid method for predicting protein torsion angles from NMR chemical shifts' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Y. Shen, F. Delaglio, G. Cornilescu, and A. Bax' 'Laboratory of Chemical Physics, NIDDK, NIH, USA' http://spin.niddk.nih.gov/bax/software/TALOS+ 19353 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'dihedreal angle prediction' 19353 5 stop_ save_ save_VnmrJ _Software.Sf_category software _Software.Sf_framecode VnmrJ _Software.Entry_ID 19353 _Software.ID 6 _Software.Name VnmrJ _Software.Version 2.3A _Software.Details 'NMR acquisition and processing software' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Agilent Technologies (formerly Varian)' 'Lake Forest, CA, USA' http://www.varianinc.com/cgi-bin/nav?products/nmr/software/vnmrj 19353 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data recording' 19353 6 'spectrometer operation' 19353 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Agilent_900MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Agilent_900MHz _NMR_spectrometer.Entry_ID 19353 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _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 19353 _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 Agilent_900MHz Varian VNMRS . 900 . . . 19353 1 stop_ save_ save_900_CP _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode 900_CP _NMR_spectrometer_probe.Entry_ID 19353 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Varian _NMR_spectrometer_probe.Model '900MHz Z-axis PFG triple resonance cold probe' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter 5.0 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 19353 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 19353 _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/HMQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $AS69_CNAsyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 2 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $AS69_CNAsyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 3 'iHNCA_CNSyn_AS69 (H[N_[CA]].onebond)' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $AS69_CNAsyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 4 '2D 1H-15N HSQC/HMQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $AS69_CNAsyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 5 '2D 1H-15N HSQC/HMQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $CNAS69_Asyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 6 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $CNAS69_Asyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 7 'CNAS69_iHNCA (H[N_[CA]].onebond)' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $CNAS69_Asyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 8 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $CNAS69_Asyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 9 'CNAS69_Syn_3DHNHA (H[N[ca[HA]]])' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $CNAS69_Asyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 10 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $CNAS69_Asyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 11 '3D HCCH-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $CNAS69_Asyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 12 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $CNAS69_Asyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 13 'CNSyn_AS69_3DHNHA (H[N[ca[HA]]])' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $AS69_CNAsyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 14 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $AS69_CNAsyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 15 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $AS69_CNAsyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 16 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $AS69_CNAsyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 17 '2D 1H-13C HSQC/HMQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $AS69_CNAsyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 18 'CNSyn_AS69_2DaromaHSQC_noesy (H[c]_H.through-space)' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $CNAS69_Asyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 19 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $AS69_CNAsyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 20 '2D 1H-13C HSQC/HMQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $CNAS69_Asyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 21 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $CNAS69_Asyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 22 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $CNAS69_Asyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 23 '2D 1H-13C HSQC/HMQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $AS69_CNAsyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 24 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $AS69_CNAsyn isotropic . . 1 $Standard_30 . . . 1 $Agilent_900MHz 1 $900_CP . . . . . . . . . . . . . . 19353 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19353 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Agilent_900MHz _NMR_spec_expt.NMR_spectrometer_probe_ID 1 _NMR_spec_expt.NMR_spectrometer_probe_label $900_CP _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19353 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 na indirect 0.251449530 . . . . . . . . . 19353 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19353 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19353 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 19353 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Standard_30 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' 1 $AS69_CNAsyn isotropic 19353 1 2 '3D HNCA' 1 $AS69_CNAsyn isotropic 19353 1 3 'iHNCA_CNSyn_AS69 (H[N_[CA]].onebond)' 1 $AS69_CNAsyn isotropic 19353 1 5 '2D 1H-15N HSQC/HMQC' 2 $CNAS69_Asyn isotropic 19353 1 6 '3D HNCA' 2 $CNAS69_Asyn isotropic 19353 1 7 'CNAS69_iHNCA (H[N_[CA]].onebond)' 2 $CNAS69_Asyn isotropic 19353 1 8 '3D 1H-15N NOESY' 2 $CNAS69_Asyn isotropic 19353 1 9 'CNAS69_Syn_3DHNHA (H[N[ca[HA]]])' 2 $CNAS69_Asyn isotropic 19353 1 10 '3D 1H-13C NOESY' 2 $CNAS69_Asyn isotropic 19353 1 11 '3D HCCH-COSY' 2 $CNAS69_Asyn isotropic 19353 1 12 '3D HBHA(CO)NH' 2 $CNAS69_Asyn isotropic 19353 1 13 'CNSyn_AS69_3DHNHA (H[N[ca[HA]]])' 1 $AS69_CNAsyn isotropic 19353 1 14 '3D 1H-13C NOESY' 1 $AS69_CNAsyn isotropic 19353 1 15 '3D 1H-15N NOESY' 1 $AS69_CNAsyn isotropic 19353 1 16 '3D HNCO' 1 $AS69_CNAsyn isotropic 19353 1 17 '2D 1H-13C HSQC/HMQC' 1 $AS69_CNAsyn isotropic 19353 1 18 'CNSyn_AS69_2DaromaHSQC_noesy (H[c]_H.through-space)' 2 $CNAS69_Asyn isotropic 19353 1 19 '2D 1H-1H NOESY' 1 $AS69_CNAsyn isotropic 19353 1 20 '2D 1H-13C HSQC/HMQC' 2 $CNAS69_Asyn isotropic 19353 1 22 '3D HNCO' 2 $CNAS69_Asyn isotropic 19353 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY H H 1 8.107 0.003 . 1 . 207 . . 2 GLY H . 19353 1 2 . 1 1 2 2 GLY HA2 H 1 4.030 0.011 . 2 . 447 . . 2 GLY HA2 . 19353 1 3 . 1 1 2 2 GLY HA3 H 1 4.035 0.004 . 2 . 448 . . 2 GLY HA3 . 19353 1 4 . 1 1 2 2 GLY C C 13 173.158 0.200 . 1 . 1217 . . 2 GLY C . 19353 1 5 . 1 1 2 2 GLY CA C 13 45.956 0.03 . 1 . 211 . . 2 GLY CA . 19353 1 6 . 1 1 2 2 GLY N N 15 109.521 0.056 . 1 . 206 . . 2 GLY N . 19353 1 7 . 1 1 3 3 GLU H H 1 8.149 0.009 . 1 . 308 . . 3 GLU H . 19353 1 8 . 1 1 3 3 GLU HA H 1 4.373 0.004 . 1 . 452 . . 3 GLU HA . 19353 1 9 . 1 1 3 3 GLU HB2 H 1 1.825 0.011 . 2 . 457 . . 3 GLU HB2 . 19353 1 10 . 1 1 3 3 GLU HB3 H 1 1.844 0.01 . 2 . 456 . . 3 GLU HB3 . 19353 1 11 . 1 1 3 3 GLU HG2 H 1 1.982 0.005 . 2 . 639 . . 3 GLU HG2 . 19353 1 12 . 1 1 3 3 GLU HG3 H 1 2.104 0.001 . 2 . 638 . . 3 GLU HG3 . 19353 1 13 . 1 1 3 3 GLU C C 13 174.753 0.200 . 1 . 1219 . . 3 GLU C . 19353 1 14 . 1 1 3 3 GLU CA C 13 56.707 0.011 . 1 . 309 . . 3 GLU CA . 19353 1 15 . 1 1 3 3 GLU CB C 13 32.823 0.038 . 1 . 637 . . 3 GLU CB . 19353 1 16 . 1 1 3 3 GLU CG C 13 37.293 0.024 . 1 . 643 . . 3 GLU CG . 19353 1 17 . 1 1 3 3 GLU N N 15 121.267 0.041 . 1 . 307 . . 3 GLU N . 19353 1 18 . 1 1 4 4 ILE H H 1 7.851 0.005 . 1 . 312 . . 4 ILE H . 19353 1 19 . 1 1 4 4 ILE HA H 1 4.303 0.009 . 1 . 454 . . 4 ILE HA . 19353 1 20 . 1 1 4 4 ILE HB H 1 1.249 0.005 . 1 . 461 . . 4 ILE HB . 19353 1 21 . 1 1 4 4 ILE HG12 H 1 1.465 0.012 . 2 . 646 . . 4 ILE HG12 . 19353 1 22 . 1 1 4 4 ILE HG13 H 1 0.722 0.011 . 2 . 647 . . 4 ILE HG13 . 19353 1 23 . 1 1 4 4 ILE HG21 H 1 -0.019 0.007 . 1 . 648 . . 4 ILE HG21 . 19353 1 24 . 1 1 4 4 ILE HG22 H 1 -0.019 0.007 . 1 . 648 . . 4 ILE HG22 . 19353 1 25 . 1 1 4 4 ILE HG23 H 1 -0.019 0.007 . 1 . 648 . . 4 ILE HG23 . 19353 1 26 . 1 1 4 4 ILE HD11 H 1 0.745 0.011 . 1 . 650 . . 4 ILE HD11 . 19353 1 27 . 1 1 4 4 ILE HD12 H 1 0.745 0.011 . 1 . 650 . . 4 ILE HD12 . 19353 1 28 . 1 1 4 4 ILE HD13 H 1 0.745 0.011 . 1 . 650 . . 4 ILE HD13 . 19353 1 29 . 1 1 4 4 ILE C C 13 174.930 0.200 . 1 . 1216 . . 4 ILE C . 19353 1 30 . 1 1 4 4 ILE CA C 13 61.530 0.023 . 1 . 313 . . 4 ILE CA . 19353 1 31 . 1 1 4 4 ILE CB C 13 41.259 0.021 . 1 . 645 . . 4 ILE CB . 19353 1 32 . 1 1 4 4 ILE CG1 C 13 28.819 0.023 . 1 . 649 . . 4 ILE CG1 . 19353 1 33 . 1 1 4 4 ILE CG2 C 13 17.076 0.02 . 1 . 651 . . 4 ILE CG2 . 19353 1 34 . 1 1 4 4 ILE CD1 C 13 14.399 0.023 . 1 . 652 . . 4 ILE CD1 . 19353 1 35 . 1 1 4 4 ILE N N 15 122.728 0.035 . 1 . 311 . . 4 ILE N . 19353 1 36 . 1 1 5 5 PHE H H 1 8.897 0.005 . 1 . 318 . . 5 PHE H . 19353 1 37 . 1 1 5 5 PHE HA H 1 4.635 0.008 . 1 . 462 . . 5 PHE HA . 19353 1 38 . 1 1 5 5 PHE HB2 H 1 2.789 0.005 . 2 . 662 . . 5 PHE HB2 . 19353 1 39 . 1 1 5 5 PHE HB3 H 1 2.926 0.011 . 2 . 464 . . 5 PHE HB3 . 19353 1 40 . 1 1 5 5 PHE HD1 H 1 7.169 0.007 . 3 . 663 . . 5 PHE HD1 . 19353 1 41 . 1 1 5 5 PHE HD2 H 1 7.169 0.007 . 3 . 663 . . 5 PHE HD2 . 19353 1 42 . 1 1 5 5 PHE HE1 H 1 7.313 0.005 . 3 . 1075 . . 5 PHE HE1 . 19353 1 43 . 1 1 5 5 PHE HE2 H 1 7.313 0.005 . 3 . 1075 . . 5 PHE HE2 . 19353 1 44 . 1 1 5 5 PHE HZ H 1 7.286 0.050 . 1 . 1076 . . 5 PHE HZ . 19353 1 45 . 1 1 5 5 PHE C C 13 174.350 0.200 . 1 . 1222 . . 5 PHE C . 19353 1 46 . 1 1 5 5 PHE CA C 13 56.806 0.036 . 1 . 319 . . 5 PHE CA . 19353 1 47 . 1 1 5 5 PHE CB C 13 40.968 0.027 . 1 . 661 . . 5 PHE CB . 19353 1 48 . 1 1 5 5 PHE CD1 C 13 131.550 0.049 . 3 . 1103 . . 5 PHE CD1 . 19353 1 49 . 1 1 5 5 PHE CD2 C 13 131.550 0.049 . 3 . 1103 . . 5 PHE CD2 . 19353 1 50 . 1 1 5 5 PHE CE1 C 13 130.899 0.200 . 3 . 1107 . . 5 PHE CE1 . 19353 1 51 . 1 1 5 5 PHE CE2 C 13 130.899 0.200 . 3 . 1107 . . 5 PHE CE2 . 19353 1 52 . 1 1 5 5 PHE N N 15 127.831 0.025 . 1 . 317 . . 5 PHE N . 19353 1 53 . 1 1 6 6 TYR H H 1 8.454 0.007 . 1 . 324 . . 6 TYR H . 19353 1 54 . 1 1 6 6 TYR HA H 1 4.761 0.009 . 1 . 463 . . 6 TYR HA . 19353 1 55 . 1 1 6 6 TYR HB2 H 1 2.699 0.007 . 2 . 667 . . 6 TYR HB2 . 19353 1 56 . 1 1 6 6 TYR HB3 H 1 2.852 0.006 . 2 . 666 . . 6 TYR HB3 . 19353 1 57 . 1 1 6 6 TYR HD1 H 1 6.854 0.003 . 3 . 669 . . 6 TYR HD1 . 19353 1 58 . 1 1 6 6 TYR HD2 H 1 6.854 0.003 . 3 . 669 . . 6 TYR HD2 . 19353 1 59 . 1 1 6 6 TYR HE1 H 1 6.409 0.004 . 3 . 1070 . . 6 TYR HE1 . 19353 1 60 . 1 1 6 6 TYR HE2 H 1 6.409 0.004 . 3 . 1070 . . 6 TYR HE2 . 19353 1 61 . 1 1 6 6 TYR C C 13 175.521 0.200 . 1 . 1224 . . 6 TYR C . 19353 1 62 . 1 1 6 6 TYR CA C 13 60.261 0.066 . 1 . 325 . . 6 TYR CA . 19353 1 63 . 1 1 6 6 TYR CB C 13 39.918 0.129 . 1 . 668 . . 6 TYR CB . 19353 1 64 . 1 1 6 6 TYR CD1 C 13 131.704 0.023 . 3 . 1099 . . 6 TYR CD1 . 19353 1 65 . 1 1 6 6 TYR CD2 C 13 131.704 0.023 . 3 . 1099 . . 6 TYR CD2 . 19353 1 66 . 1 1 6 6 TYR CE1 C 13 117.641 0.041 . 3 . 1098 . . 6 TYR CE1 . 19353 1 67 . 1 1 6 6 TYR CE2 C 13 117.641 0.041 . 3 . 1098 . . 6 TYR CE2 . 19353 1 68 . 1 1 6 6 TYR N N 15 123.341 0.024 . 1 . 323 . . 6 TYR N . 19353 1 69 . 1 1 7 7 LEU H H 1 9.190 0.008 . 1 . 330 . . 7 LEU H . 19353 1 70 . 1 1 7 7 LEU HA H 1 4.841 0.007 . 1 . 674 . . 7 LEU HA . 19353 1 71 . 1 1 7 7 LEU HB2 H 1 1.342 0.011 . 2 . 675 . . 7 LEU HB2 . 19353 1 72 . 1 1 7 7 LEU HB3 H 1 1.566 0.017 . 2 . 676 . . 7 LEU HB3 . 19353 1 73 . 1 1 7 7 LEU HG H 1 1.566 0.017 . 1 . 687 . . 7 LEU HG . 19353 1 74 . 1 1 7 7 LEU HD11 H 1 0.615 0.009 . 2 . 688 . . 7 LEU HD11 . 19353 1 75 . 1 1 7 7 LEU HD12 H 1 0.615 0.009 . 2 . 688 . . 7 LEU HD12 . 19353 1 76 . 1 1 7 7 LEU HD13 H 1 0.615 0.009 . 2 . 688 . . 7 LEU HD13 . 19353 1 77 . 1 1 7 7 LEU HD21 H 1 0.445 0.009 . 2 . 689 . . 7 LEU HD21 . 19353 1 78 . 1 1 7 7 LEU HD22 H 1 0.445 0.009 . 2 . 689 . . 7 LEU HD22 . 19353 1 79 . 1 1 7 7 LEU HD23 H 1 0.445 0.009 . 2 . 689 . . 7 LEU HD23 . 19353 1 80 . 1 1 7 7 LEU CA C 13 52.640 0.037 . 1 . 331 . . 7 LEU CA . 19353 1 81 . 1 1 7 7 LEU CB C 13 42.923 0.018 . 1 . 679 . . 7 LEU CB . 19353 1 82 . 1 1 7 7 LEU CG C 13 26.276 0.02 . 1 . 686 . . 7 LEU CG . 19353 1 83 . 1 1 7 7 LEU CD1 C 13 23.841 0.019 . 2 . 691 . . 7 LEU CD1 . 19353 1 84 . 1 1 7 7 LEU CD2 C 13 26.527 0.015 . 2 . 690 . . 7 LEU CD2 . 19353 1 85 . 1 1 7 7 LEU N N 15 121.189 0.025 . 1 . 329 . . 7 LEU N . 19353 1 86 . 1 1 8 8 PRO HA H 1 4.734 0.008 . 1 . 471 . . 8 PRO HA . 19353 1 87 . 1 1 8 8 PRO HB2 H 1 2.018 0.009 . 2 . 473 . . 8 PRO HB2 . 19353 1 88 . 1 1 8 8 PRO HB3 H 1 2.255 0.013 . 2 . 472 . . 8 PRO HB3 . 19353 1 89 . 1 1 8 8 PRO HG2 H 1 1.908 0.011 . 2 . 696 . . 8 PRO HG2 . 19353 1 90 . 1 1 8 8 PRO HG3 H 1 2.017 0.01 . 2 . 474 . . 8 PRO HG3 . 19353 1 91 . 1 1 8 8 PRO HD2 H 1 3.276 0.012 . 2 . 698 . . 8 PRO HD2 . 19353 1 92 . 1 1 8 8 PRO HD3 H 1 3.848 0.008 . 2 . 699 . . 8 PRO HD3 . 19353 1 93 . 1 1 8 8 PRO C C 13 177.433 0.200 . 1 . 1226 . . 8 PRO C . 19353 1 94 . 1 1 8 8 PRO CA C 13 64.813 0.029 . 1 . 344 . . 8 PRO CA . 19353 1 95 . 1 1 8 8 PRO CB C 13 33.579 0.033 . 1 . 694 . . 8 PRO CB . 19353 1 96 . 1 1 8 8 PRO CG C 13 27.919 0.058 . 1 . 695 . . 8 PRO CG . 19353 1 97 . 1 1 8 8 PRO CD C 13 52.123 0.027 . 1 . 697 . . 8 PRO CD . 19353 1 98 . 1 1 9 9 ASN H H 1 8.714 0.005 . 1 . 336 . . 9 ASN H . 19353 1 99 . 1 1 9 9 ASN HA H 1 4.982 0.012 . 1 . 470 . . 9 ASN HA . 19353 1 100 . 1 1 9 9 ASN HB2 H 1 2.940 0.003 . 2 . 477 . . 9 ASN HB2 . 19353 1 101 . 1 1 9 9 ASN HB3 H 1 2.822 0.009 . 2 . 478 . . 9 ASN HB3 . 19353 1 102 . 1 1 9 9 ASN HD21 H 1 7.124 0.006 . 1 . 704 . . 9 ASN HD21 . 19353 1 103 . 1 1 9 9 ASN HD22 H 1 7.433 0.005 . 1 . 705 . . 9 ASN HD22 . 19353 1 104 . 1 1 9 9 ASN C C 13 175.965 0.200 . 1 . 1228 . . 9 ASN C . 19353 1 105 . 1 1 9 9 ASN CA C 13 53.346 0.049 . 1 . 212 . . 9 ASN CA . 19353 1 106 . 1 1 9 9 ASN CB C 13 39.479 0.019 . 1 . 702 . . 9 ASN CB . 19353 1 107 . 1 1 9 9 ASN N N 15 113.479 0.042 . 1 . 335 . . 9 ASN N . 19353 1 108 . 1 1 9 9 ASN ND2 N 15 115.971 0.056 . 1 . 1312 . . 9 ASN ND2 . 19353 1 109 . 1 1 10 10 LEU H H 1 7.075 0.006 . 1 . 340 . . 10 LEU H . 19353 1 110 . 1 1 10 10 LEU HA H 1 4.451 0.013 . 1 . 446 . . 10 LEU HA . 19353 1 111 . 1 1 10 10 LEU HB2 H 1 1.515 0.011 . 2 . 718 . . 10 LEU HB2 . 19353 1 112 . 1 1 10 10 LEU HB3 H 1 1.650 0.009 . 2 . 717 . . 10 LEU HB3 . 19353 1 113 . 1 1 10 10 LEU HG H 1 1.715 0.006 . 1 . 720 . . 10 LEU HG . 19353 1 114 . 1 1 10 10 LEU HD11 H 1 0.762 0.007 . 2 . 719 . . 10 LEU HD11 . 19353 1 115 . 1 1 10 10 LEU HD12 H 1 0.762 0.007 . 2 . 719 . . 10 LEU HD12 . 19353 1 116 . 1 1 10 10 LEU HD13 H 1 0.762 0.007 . 2 . 719 . . 10 LEU HD13 . 19353 1 117 . 1 1 10 10 LEU HD21 H 1 0.676 0.005 . 2 . 722 . . 10 LEU HD21 . 19353 1 118 . 1 1 10 10 LEU HD22 H 1 0.676 0.005 . 2 . 722 . . 10 LEU HD22 . 19353 1 119 . 1 1 10 10 LEU HD23 H 1 0.676 0.005 . 2 . 722 . . 10 LEU HD23 . 19353 1 120 . 1 1 10 10 LEU C C 13 175.729 0.200 . 1 . 1230 . . 10 LEU C . 19353 1 121 . 1 1 10 10 LEU CA C 13 55.459 0.114 . 1 . 347 . . 10 LEU CA . 19353 1 122 . 1 1 10 10 LEU CB C 13 42.683 0.022 . 1 . 716 . . 10 LEU CB . 19353 1 123 . 1 1 10 10 LEU CG C 13 28.826 0.06 . 1 . 721 . . 10 LEU CG . 19353 1 124 . 1 1 10 10 LEU CD1 C 13 25.946 0.016 . 2 . 723 . . 10 LEU CD1 . 19353 1 125 . 1 1 10 10 LEU CD2 C 13 23.438 0.012 . 2 . 724 . . 10 LEU CD2 . 19353 1 126 . 1 1 10 10 LEU N N 15 121.093 0.042 . 1 . 339 . . 10 LEU N . 19353 1 127 . 1 1 11 11 ASN H H 1 8.793 0.007 . 1 . 349 . . 11 ASN H . 19353 1 128 . 1 1 11 11 ASN HA H 1 4.816 0.007 . 1 . 725 . . 11 ASN HA . 19353 1 129 . 1 1 11 11 ASN HB2 H 1 2.790 0.008 . 2 . 728 . . 11 ASN HB2 . 19353 1 130 . 1 1 11 11 ASN HB3 H 1 3.100 0.009 . 2 . 727 . . 11 ASN HB3 . 19353 1 131 . 1 1 11 11 ASN HD21 H 1 7.119 0.003 . 1 . 732 . . 11 ASN HD21 . 19353 1 132 . 1 1 11 11 ASN HD22 H 1 7.652 0.005 . 1 . 1083 . . 11 ASN HD22 . 19353 1 133 . 1 1 11 11 ASN CA C 13 51.990 0.036 . 1 . 352 . . 11 ASN CA . 19353 1 134 . 1 1 11 11 ASN CB C 13 37.823 0.02 . 1 . 731 . . 11 ASN CB . 19353 1 135 . 1 1 11 11 ASN N N 15 122.080 0.029 . 1 . 348 . . 11 ASN N . 19353 1 136 . 1 1 11 11 ASN ND2 N 15 113.590 0.02 . 1 . 1311 . . 11 ASN ND2 . 19353 1 137 . 1 1 12 12 PRO HA H 1 3.832 0.005 . 1 . 1178 . . 12 PRO HA . 19353 1 138 . 1 1 12 12 PRO HB2 H 1 1.291 0.011 . 2 . 1206 . . 12 PRO HB2 . 19353 1 139 . 1 1 12 12 PRO HB3 H 1 0.918 0.01 . 2 . 1207 . . 12 PRO HB3 . 19353 1 140 . 1 1 12 12 PRO HG2 H 1 1.566 0.007 . 2 . 1191 . . 12 PRO HG2 . 19353 1 141 . 1 1 12 12 PRO HG3 H 1 1.693 0.009 . 2 . 1192 . . 12 PRO HG3 . 19353 1 142 . 1 1 12 12 PRO HD2 H 1 3.390 0.009 . 2 . 1194 . . 12 PRO HD2 . 19353 1 143 . 1 1 12 12 PRO HD3 H 1 3.398 0.01 . 2 . 1193 . . 12 PRO HD3 . 19353 1 144 . 1 1 12 12 PRO C C 13 177.286 0.200 . 1 . 1232 . . 12 PRO C . 19353 1 145 . 1 1 12 12 PRO CA C 13 67.330 0.061 . 1 . 555 . . 12 PRO CA . 19353 1 146 . 1 1 12 12 PRO CB C 13 30.832 0.056 . 1 . 1205 . . 12 PRO CB . 19353 1 147 . 1 1 12 12 PRO CG C 13 29.316 0.037 . 1 . 1190 . . 12 PRO CG . 19353 1 148 . 1 1 12 12 PRO CD C 13 50.311 0.027 . 1 . 1195 . . 12 PRO CD . 19353 1 149 . 1 1 13 13 ASP H H 1 8.057 0.004 . 1 . 419 . . 13 ASP H . 19353 1 150 . 1 1 13 13 ASP HA H 1 4.625 0.009 . 1 . 553 . . 13 ASP HA . 19353 1 151 . 1 1 13 13 ASP HB2 H 1 2.795 0.006 . 2 . 556 . . 13 ASP HB2 . 19353 1 152 . 1 1 13 13 ASP HB3 H 1 2.754 0.001 . 2 . 557 . . 13 ASP HB3 . 19353 1 153 . 1 1 13 13 ASP C C 13 179.704 0.200 . 1 . 1236 . . 13 ASP C . 19353 1 154 . 1 1 13 13 ASP CA C 13 58.766 0.024 . 1 . 554 . . 13 ASP CA . 19353 1 155 . 1 1 13 13 ASP CB C 13 41.029 0.200 . 1 . 1214 . . 13 ASP CB . 19353 1 156 . 1 1 13 13 ASP N N 15 116.566 0.045 . 1 . 418 . . 13 ASP N . 19353 1 157 . 1 1 14 14 GLN H H 1 8.209 0.007 . 1 . 1085 . . 14 GLN H . 19353 1 158 . 1 1 14 14 GLN HA H 1 4.144 0.01 . 1 . 1149 . . 14 GLN HA . 19353 1 159 . 1 1 14 14 GLN HB2 H 1 1.743 0.016 . 2 . 1148 . . 14 GLN HB2 . 19353 1 160 . 1 1 14 14 GLN HB3 H 1 2.460 0.015 . 2 . 1147 . . 14 GLN HB3 . 19353 1 161 . 1 1 14 14 GLN HG2 H 1 2.737 0.019 . 2 . 1140 . . 14 GLN HG2 . 19353 1 162 . 1 1 14 14 GLN HG3 H 1 2.416 0.013 . 2 . 1139 . . 14 GLN HG3 . 19353 1 163 . 1 1 14 14 GLN HE21 H 1 8.240 0.005 . 1 . 1307 . . 14 GLN HE21 . 19353 1 164 . 1 1 14 14 GLN HE22 H 1 7.752 0.006 . 1 . 1134 . . 14 GLN HE22 . 19353 1 165 . 1 1 14 14 GLN C C 13 180.083 0.200 . 1 . 1237 . . 14 GLN C . 19353 1 166 . 1 1 14 14 GLN CA C 13 59.094 0.028 . 1 . 1150 . . 14 GLN CA . 19353 1 167 . 1 1 14 14 GLN CB C 13 29.271 0.104 . 1 . 1146 . . 14 GLN CB . 19353 1 168 . 1 1 14 14 GLN CG C 13 35.019 0.023 . 1 . 1145 . . 14 GLN CG . 19353 1 169 . 1 1 14 14 GLN N N 15 122.247 0.033 . 1 . 1160 . . 14 GLN N . 19353 1 170 . 1 1 14 14 GLN NE2 N 15 114.162 0.062 . 1 . 1306 . . 14 GLN NE2 . 19353 1 171 . 1 1 15 15 LEU H H 1 8.200 0.006 . 1 . 1173 . . 15 LEU H . 19353 1 172 . 1 1 15 15 LEU HA H 1 3.999 0.007 . 1 . 1177 . . 15 LEU HA . 19353 1 173 . 1 1 15 15 LEU HB2 H 1 1.347 0.011 . 2 . 1176 . . 15 LEU HB2 . 19353 1 174 . 1 1 15 15 LEU HB3 H 1 0.778 0.01 . 2 . 1175 . . 15 LEU HB3 . 19353 1 175 . 1 1 15 15 LEU HG H 1 1.367 0.009 . 1 . 1324 . . 15 LEU HG . 19353 1 176 . 1 1 15 15 LEU HD11 H 1 0.584 0.006 . 2 . 1179 . . 15 LEU HD11 . 19353 1 177 . 1 1 15 15 LEU HD12 H 1 0.584 0.006 . 2 . 1179 . . 15 LEU HD12 . 19353 1 178 . 1 1 15 15 LEU HD13 H 1 0.584 0.006 . 2 . 1179 . . 15 LEU HD13 . 19353 1 179 . 1 1 15 15 LEU HD21 H 1 0.405 0.008 . 2 . 1180 . . 15 LEU HD21 . 19353 1 180 . 1 1 15 15 LEU HD22 H 1 0.405 0.008 . 2 . 1180 . . 15 LEU HD22 . 19353 1 181 . 1 1 15 15 LEU HD23 H 1 0.405 0.008 . 2 . 1180 . . 15 LEU HD23 . 19353 1 182 . 1 1 15 15 LEU CB C 13 43.594 0.044 . 1 . 1174 . . 15 LEU CB . 19353 1 183 . 1 1 15 15 LEU CG C 13 27.040 0.035 . 1 . 1323 . . 15 LEU CG . 19353 1 184 . 1 1 15 15 LEU CD1 C 13 24.477 0.031 . 2 . 1182 . . 15 LEU CD1 . 19353 1 185 . 1 1 15 15 LEU CD2 C 13 27.065 0.038 . 2 . 1181 . . 15 LEU CD2 . 19353 1 186 . 1 1 15 15 LEU N N 15 123.328 0.052 . 1 . 1172 . . 15 LEU N . 19353 1 187 . 1 1 16 16 CYS C C 13 176.784 0.200 . 1 . 1239 . . 16 CYS C . 19353 1 188 . 1 1 17 17 ALA H H 1 8.083 0.005 . 1 . 381 . . 17 ALA H . 19353 1 189 . 1 1 17 17 ALA HA H 1 4.352 0.01 . 1 . 483 . . 17 ALA HA . 19353 1 190 . 1 1 17 17 ALA HB1 H 1 1.616 0.007 . 1 . 484 . . 17 ALA HB1 . 19353 1 191 . 1 1 17 17 ALA HB2 H 1 1.616 0.007 . 1 . 484 . . 17 ALA HB2 . 19353 1 192 . 1 1 17 17 ALA HB3 H 1 1.616 0.007 . 1 . 484 . . 17 ALA HB3 . 19353 1 193 . 1 1 17 17 ALA C C 13 180.063 0.200 . 1 . 1241 . . 17 ALA C . 19353 1 194 . 1 1 17 17 ALA CA C 13 55.957 0.027 . 1 . 399 . . 17 ALA CA . 19353 1 195 . 1 1 17 17 ALA CB C 13 18.841 0.111 . 1 . 736 . . 17 ALA CB . 19353 1 196 . 1 1 17 17 ALA N N 15 121.286 0.016 . 1 . 380 . . 17 ALA N . 19353 1 197 . 1 1 18 18 PHE H H 1 7.904 0.009 . 1 . 377 . . 18 PHE H . 19353 1 198 . 1 1 18 18 PHE HA H 1 4.383 0.007 . 1 . 1086 . . 18 PHE HA . 19353 1 199 . 1 1 18 18 PHE HB2 H 1 3.077 0.016 . 2 . 1087 . . 18 PHE HB2 . 19353 1 200 . 1 1 18 18 PHE HB3 H 1 3.072 0.017 . 2 . 1088 . . 18 PHE HB3 . 19353 1 201 . 1 1 18 18 PHE HD1 H 1 6.415 0.005 . 3 . 1089 . . 18 PHE HD1 . 19353 1 202 . 1 1 18 18 PHE HD2 H 1 6.415 0.005 . 3 . 1089 . . 18 PHE HD2 . 19353 1 203 . 1 1 18 18 PHE HE1 H 1 6.485 0.006 . 3 . 1108 . . 18 PHE HE1 . 19353 1 204 . 1 1 18 18 PHE HE2 H 1 6.485 0.006 . 3 . 1108 . . 18 PHE HE2 . 19353 1 205 . 1 1 18 18 PHE HZ H 1 6.711 0.004 . 1 . 1110 . . 18 PHE HZ . 19353 1 206 . 1 1 18 18 PHE C C 13 176.710 0.200 . 1 . 1243 . . 18 PHE C . 19353 1 207 . 1 1 18 18 PHE CA C 13 62.248 0.031 . 1 . 400 . . 18 PHE CA . 19353 1 208 . 1 1 18 18 PHE CB C 13 39.135 0.04 . 1 . 1090 . . 18 PHE CB . 19353 1 209 . 1 1 18 18 PHE CD1 C 13 130.716 0.066 . 3 . 1105 . . 18 PHE CD1 . 19353 1 210 . 1 1 18 18 PHE CD2 C 13 130.716 0.066 . 3 . 1105 . . 18 PHE CD2 . 19353 1 211 . 1 1 18 18 PHE CE1 C 13 129.664 0.049 . 3 . 1109 . . 18 PHE CE1 . 19353 1 212 . 1 1 18 18 PHE CE2 C 13 129.664 0.049 . 3 . 1109 . . 18 PHE CE2 . 19353 1 213 . 1 1 18 18 PHE CZ C 13 127.053 0.056 . 1 . 1111 . . 18 PHE CZ . 19353 1 214 . 1 1 18 18 PHE N N 15 120.422 0.046 . 1 . 376 . . 18 PHE N . 19353 1 215 . 1 1 19 19 PHE H H 1 8.434 0.004 . 1 . 373 . . 19 PHE H . 19353 1 216 . 1 1 19 19 PHE HA H 1 3.989 0.008 . 1 . 487 . . 19 PHE HA . 19353 1 217 . 1 1 19 19 PHE HB2 H 1 3.049 0.008 . 2 . 489 . . 19 PHE HB2 . 19353 1 218 . 1 1 19 19 PHE HB3 H 1 3.391 0.014 . 2 . 740 . . 19 PHE HB3 . 19353 1 219 . 1 1 19 19 PHE HD1 H 1 7.803 0.005 . 3 . 1094 . . 19 PHE HD1 . 19353 1 220 . 1 1 19 19 PHE HD2 H 1 7.803 0.005 . 3 . 1094 . . 19 PHE HD2 . 19353 1 221 . 1 1 19 19 PHE HE1 H 1 7.387 0.006 . 3 . 1320 . . 19 PHE HE1 . 19353 1 222 . 1 1 19 19 PHE HE2 H 1 7.387 0.006 . 3 . 1320 . . 19 PHE HE2 . 19353 1 223 . 1 1 19 19 PHE HZ H 1 7.967 0.007 . 1 . 1215 . . 19 PHE HZ . 19353 1 224 . 1 1 19 19 PHE C C 13 179.984 0.200 . 1 . 1245 . . 19 PHE C . 19353 1 225 . 1 1 19 19 PHE CA C 13 64.822 0.04 . 1 . 401 . . 19 PHE CA . 19353 1 226 . 1 1 19 19 PHE CB C 13 39.037 0.077 . 1 . 741 . . 19 PHE CB . 19353 1 227 . 1 1 19 19 PHE CD1 C 13 132.233 0.025 . 3 . 1106 . . 19 PHE CD1 . 19353 1 228 . 1 1 19 19 PHE CD2 C 13 132.233 0.025 . 3 . 1106 . . 19 PHE CD2 . 19353 1 229 . 1 1 19 19 PHE CE1 C 13 130.542 0.200 . 3 . 1321 . . 19 PHE CE1 . 19353 1 230 . 1 1 19 19 PHE CE2 C 13 130.542 0.200 . 3 . 1321 . . 19 PHE CE2 . 19353 1 231 . 1 1 19 19 PHE N N 15 116.542 0.038 . 1 . 372 . . 19 PHE N . 19353 1 232 . 1 1 20 20 HIS H H 1 8.545 0.007 . 1 . 369 . . 20 HIS H . 19353 1 233 . 1 1 20 20 HIS HA H 1 4.356 0.013 . 1 . 491 . . 20 HIS HA . 19353 1 234 . 1 1 20 20 HIS HB2 H 1 3.229 0.005 . 2 . 495 . . 20 HIS HB2 . 19353 1 235 . 1 1 20 20 HIS HB3 H 1 3.368 0.006 . 2 . 494 . . 20 HIS HB3 . 19353 1 236 . 1 1 20 20 HIS C C 13 177.673 0.200 . 1 . 1247 . . 20 HIS C . 19353 1 237 . 1 1 20 20 HIS CA C 13 62.046 0.009 . 1 . 402 . . 20 HIS CA . 19353 1 238 . 1 1 20 20 HIS CB C 13 31.010 0.028 . 1 . 743 . . 20 HIS CB . 19353 1 239 . 1 1 20 20 HIS N N 15 119.462 0.031 . 1 . 368 . . 20 HIS N . 19353 1 240 . 1 1 21 21 SER H H 1 8.434 0.003 . 1 . 365 . . 21 SER H . 19353 1 241 . 1 1 21 21 SER HA H 1 4.315 0.013 . 1 . 497 . . 21 SER HA . 19353 1 242 . 1 1 21 21 SER HB2 H 1 3.950 0.013 . 2 . 498 . . 21 SER HB2 . 19353 1 243 . 1 1 21 21 SER HB3 H 1 4.050 0.003 . 2 . 747 . . 21 SER HB3 . 19353 1 244 . 1 1 21 21 SER C C 13 176.661 0.200 . 1 . 1249 . . 21 SER C . 19353 1 245 . 1 1 21 21 SER CA C 13 63.792 0.04 . 1 . 403 . . 21 SER CA . 19353 1 246 . 1 1 21 21 SER CB C 13 63.653 0.114 . 1 . 746 . . 21 SER CB . 19353 1 247 . 1 1 21 21 SER N N 15 117.368 0.059 . 1 . 364 . . 21 SER N . 19353 1 248 . 1 1 22 22 VAL H H 1 7.982 0.006 . 1 . 361 . . 22 VAL H . 19353 1 249 . 1 1 22 22 VAL HA H 1 3.520 0.009 . 1 . 501 . . 22 VAL HA . 19353 1 250 . 1 1 22 22 VAL HB H 1 1.773 0.009 . 1 . 502 . . 22 VAL HB . 19353 1 251 . 1 1 22 22 VAL HG11 H 1 0.531 0.004 . 2 . 753 . . 22 VAL HG11 . 19353 1 252 . 1 1 22 22 VAL HG12 H 1 0.531 0.004 . 2 . 753 . . 22 VAL HG12 . 19353 1 253 . 1 1 22 22 VAL HG13 H 1 0.531 0.004 . 2 . 753 . . 22 VAL HG13 . 19353 1 254 . 1 1 22 22 VAL HG21 H 1 0.648 0.005 . 2 . 752 . . 22 VAL HG21 . 19353 1 255 . 1 1 22 22 VAL HG22 H 1 0.648 0.005 . 2 . 752 . . 22 VAL HG22 . 19353 1 256 . 1 1 22 22 VAL HG23 H 1 0.648 0.005 . 2 . 752 . . 22 VAL HG23 . 19353 1 257 . 1 1 22 22 VAL C C 13 176.393 0.200 . 1 . 1251 . . 22 VAL C . 19353 1 258 . 1 1 22 22 VAL CA C 13 65.550 0.041 . 1 . 404 . . 22 VAL CA . 19353 1 259 . 1 1 22 22 VAL CB C 13 32.004 0.026 . 1 . 751 . . 22 VAL CB . 19353 1 260 . 1 1 22 22 VAL CG1 C 13 22.384 0.024 . 2 . 757 . . 22 VAL CG1 . 19353 1 261 . 1 1 22 22 VAL CG2 C 13 22.720 0.019 . 2 . 756 . . 22 VAL CG2 . 19353 1 262 . 1 1 22 22 VAL N N 15 119.459 0.031 . 1 . 360 . . 22 VAL N . 19353 1 263 . 1 1 23 23 HIS H H 1 7.215 0.007 . 1 . 357 . . 23 HIS H . 19353 1 264 . 1 1 23 23 HIS HA H 1 4.307 0.008 . 1 . 505 . . 23 HIS HA . 19353 1 265 . 1 1 23 23 HIS HB2 H 1 3.447 0.006 . 2 . 506 . . 23 HIS HB2 . 19353 1 266 . 1 1 23 23 HIS HB3 H 1 3.365 0.005 . 2 . 508 . . 23 HIS HB3 . 19353 1 267 . 1 1 23 23 HIS C C 13 177.148 0.200 . 1 . 1253 . . 23 HIS C . 19353 1 268 . 1 1 23 23 HIS CA C 13 60.014 0.028 . 1 . 405 . . 23 HIS CA . 19353 1 269 . 1 1 23 23 HIS CB C 13 30.824 0.037 . 1 . 758 . . 23 HIS CB . 19353 1 270 . 1 1 23 23 HIS N N 15 118.882 0.047 . 1 . 356 . . 23 HIS N . 19353 1 271 . 1 1 24 24 ASP H H 1 8.193 0.002 . 1 . 385 . . 24 ASP H . 19353 1 272 . 1 1 24 24 ASP HA H 1 4.438 0.005 . 1 . 514 . . 24 ASP HA . 19353 1 273 . 1 1 24 24 ASP HB2 H 1 2.763 0.004 . 1 . 516 . . 24 ASP HB2 . 19353 1 274 . 1 1 24 24 ASP HB3 H 1 2.763 0.004 . 1 . 515 . . 24 ASP HB3 . 19353 1 275 . 1 1 24 24 ASP C C 13 176.993 0.200 . 1 . 1255 . . 24 ASP C . 19353 1 276 . 1 1 24 24 ASP CA C 13 57.343 0.007 . 1 . 406 . . 24 ASP CA . 19353 1 277 . 1 1 24 24 ASP CB C 13 41.823 0.021 . 1 . 761 . . 24 ASP CB . 19353 1 278 . 1 1 24 24 ASP N N 15 118.715 0.029 . 1 . 384 . . 24 ASP N . 19353 1 279 . 1 1 25 25 ASP H H 1 7.544 0.003 . 1 . 389 . . 25 ASP H . 19353 1 280 . 1 1 25 25 ASP HA H 1 4.969 0.007 . 1 . 513 . . 25 ASP HA . 19353 1 281 . 1 1 25 25 ASP HB2 H 1 2.990 0.006 . 2 . 519 . . 25 ASP HB2 . 19353 1 282 . 1 1 25 25 ASP HB3 H 1 2.498 0.009 . 2 . 520 . . 25 ASP HB3 . 19353 1 283 . 1 1 25 25 ASP CA C 13 52.328 0.024 . 1 . 407 . . 25 ASP CA . 19353 1 284 . 1 1 25 25 ASP CB C 13 41.150 0.200 . 1 . 764 . . 25 ASP CB . 19353 1 285 . 1 1 25 25 ASP N N 15 114.594 0.033 . 1 . 388 . . 25 ASP N . 19353 1 286 . 1 1 26 26 PRO HA H 1 4.536 0.0 . 1 . 1300 . . 26 PRO HA . 19353 1 287 . 1 1 26 26 PRO HG2 H 1 2.176 0.003 . 2 . 1122 . . 26 PRO HG2 . 19353 1 288 . 1 1 26 26 PRO HG3 H 1 2.091 0.006 . 2 . 1123 . . 26 PRO HG3 . 19353 1 289 . 1 1 26 26 PRO HD2 H 1 3.581 0.007 . 2 . 1117 . . 26 PRO HD2 . 19353 1 290 . 1 1 26 26 PRO HD3 H 1 3.800 0.007 . 2 . 1118 . . 26 PRO HD3 . 19353 1 291 . 1 1 26 26 PRO C C 13 180.064 0.200 . 1 . 1256 . . 26 PRO C . 19353 1 292 . 1 1 26 26 PRO CA C 13 65.302 0.012 . 1 . 1302 . . 26 PRO CA . 19353 1 293 . 1 1 26 26 PRO CG C 13 28.034 0.016 . 1 . 1126 . . 26 PRO CG . 19353 1 294 . 1 1 26 26 PRO CD C 13 50.815 0.012 . 1 . 1116 . . 26 PRO CD . 19353 1 295 . 1 1 27 27 SER H H 1 8.383 0.001 . 1 . 546 . . 27 SER H . 19353 1 296 . 1 1 27 27 SER HA H 1 4.465 0.005 . 1 . 538 . . 27 SER HA . 19353 1 297 . 1 1 27 27 SER HB2 H 1 4.092 0.009 . 2 . 540 . . 27 SER HB2 . 19353 1 298 . 1 1 27 27 SER HB3 H 1 4.093 0.01 . 2 . 539 . . 27 SER HB3 . 19353 1 299 . 1 1 27 27 SER C C 13 176.168 0.200 . 1 . 1259 . . 27 SER C . 19353 1 300 . 1 1 27 27 SER CA C 13 62.127 0.02 . 1 . 543 . . 27 SER CA . 19353 1 301 . 1 1 27 27 SER CB C 13 63.412 0.200 . 1 . 765 . . 27 SER CB . 19353 1 302 . 1 1 27 27 SER N N 15 115.895 0.036 . 1 . 545 . . 27 SER N . 19353 1 303 . 1 1 28 28 GLN H H 1 7.872 0.005 . 1 . 417 . . 28 GLN H . 19353 1 304 . 1 1 28 28 GLN HA H 1 4.716 0.006 . 1 . 532 . . 28 GLN HA . 19353 1 305 . 1 1 28 28 GLN HB2 H 1 2.653 0.007 . 2 . 533 . . 28 GLN HB2 . 19353 1 306 . 1 1 28 28 GLN HB3 H 1 1.946 0.011 . 2 . 534 . . 28 GLN HB3 . 19353 1 307 . 1 1 28 28 GLN HG2 H 1 2.310 0.004 . 2 . 771 . . 28 GLN HG2 . 19353 1 308 . 1 1 28 28 GLN HG3 H 1 2.472 0.01 . 2 . 770 . . 28 GLN HG3 . 19353 1 309 . 1 1 28 28 GLN HE21 H 1 6.872 0.001 . 1 . 777 . . 28 GLN HE21 . 19353 1 310 . 1 1 28 28 GLN HE22 H 1 7.710 0.003 . 1 . 776 . . 28 GLN HE22 . 19353 1 311 . 1 1 28 28 GLN C C 13 176.451 0.200 . 1 . 1261 . . 28 GLN C . 19353 1 312 . 1 1 28 28 GLN CA C 13 55.702 0.028 . 1 . 535 . . 28 GLN CA . 19353 1 313 . 1 1 28 28 GLN CB C 13 29.281 0.015 . 1 . 768 . . 28 GLN CB . 19353 1 314 . 1 1 28 28 GLN CG C 13 34.503 0.015 . 1 . 774 . . 28 GLN CG . 19353 1 315 . 1 1 28 28 GLN N N 15 120.756 0.029 . 1 . 416 . . 28 GLN N . 19353 1 316 . 1 1 28 28 GLN NE2 N 15 114.658 0.183 . 1 . 780 . . 28 GLN NE2 . 19353 1 317 . 1 1 29 29 SER H H 1 7.847 0.006 . 1 . 411 . . 29 SER H . 19353 1 318 . 1 1 29 29 SER HA H 1 3.883 0.011 . 1 . 550 . . 29 SER HA . 19353 1 319 . 1 1 29 29 SER HB2 H 1 3.928 0.007 . 2 . 527 . . 29 SER HB2 . 19353 1 320 . 1 1 29 29 SER HB3 H 1 4.006 0.006 . 2 . 528 . . 29 SER HB3 . 19353 1 321 . 1 1 29 29 SER C C 13 174.588 0.200 . 1 . 1262 . . 29 SER C . 19353 1 322 . 1 1 29 29 SER CA C 13 64.619 0.01 . 1 . 549 . . 29 SER CA . 19353 1 323 . 1 1 29 29 SER CB C 13 63.946 0.008 . 1 . 784 . . 29 SER CB . 19353 1 324 . 1 1 29 29 SER N N 15 116.384 0.049 . 1 . 410 . . 29 SER N . 19353 1 325 . 1 1 30 30 ALA H H 1 8.659 0.004 . 1 . 409 . . 30 ALA H . 19353 1 326 . 1 1 30 30 ALA HA H 1 4.120 0.006 . 1 . 788 . . 30 ALA HA . 19353 1 327 . 1 1 30 30 ALA HB1 H 1 1.476 0.006 . 1 . 524 . . 30 ALA HB1 . 19353 1 328 . 1 1 30 30 ALA HB2 H 1 1.476 0.006 . 1 . 524 . . 30 ALA HB2 . 19353 1 329 . 1 1 30 30 ALA HB3 H 1 1.476 0.006 . 1 . 524 . . 30 ALA HB3 . 19353 1 330 . 1 1 30 30 ALA C C 13 180.907 0.200 . 1 . 1264 . . 30 ALA C . 19353 1 331 . 1 1 30 30 ALA CA C 13 56.602 0.012 . 1 . 526 . . 30 ALA CA . 19353 1 332 . 1 1 30 30 ALA CB C 13 18.575 0.02 . 1 . 787 . . 30 ALA CB . 19353 1 333 . 1 1 30 30 ALA N N 15 123.702 0.042 . 1 . 408 . . 30 ALA N . 19353 1 334 . 1 1 31 31 ASN H H 1 8.019 0.004 . 1 . 304 . . 31 ASN H . 19353 1 335 . 1 1 31 31 ASN HA H 1 4.559 0.009 . 1 . 523 . . 31 ASN HA . 19353 1 336 . 1 1 31 31 ASN HB2 H 1 2.916 0.006 . 2 . 561 . . 31 ASN HB2 . 19353 1 337 . 1 1 31 31 ASN HB3 H 1 2.917 0.008 . 2 . 560 . . 31 ASN HB3 . 19353 1 338 . 1 1 31 31 ASN HD21 H 1 7.037 0.011 . 1 . 796 . . 31 ASN HD21 . 19353 1 339 . 1 1 31 31 ASN HD22 H 1 7.800 0.013 . 1 . 795 . . 31 ASN HD22 . 19353 1 340 . 1 1 31 31 ASN C C 13 177.938 0.200 . 1 . 1266 . . 31 ASN C . 19353 1 341 . 1 1 31 31 ASN CA C 13 56.728 0.024 . 1 . 300 . . 31 ASN CA . 19353 1 342 . 1 1 31 31 ASN CB C 13 38.896 0.074 . 1 . 790 . . 31 ASN CB . 19353 1 343 . 1 1 31 31 ASN N N 15 119.375 0.057 . 1 . 303 . . 31 ASN N . 19353 1 344 . 1 1 31 31 ASN ND2 N 15 113.662 0.179 . 1 . 794 . . 31 ASN ND2 . 19353 1 345 . 1 1 32 32 LEU H H 1 8.696 0.007 . 1 . 296 . . 32 LEU H . 19353 1 346 . 1 1 32 32 LEU HA H 1 4.151 0.008 . 1 . 563 . . 32 LEU HA . 19353 1 347 . 1 1 32 32 LEU HB2 H 1 1.415 0.009 . 2 . 814 . . 32 LEU HB2 . 19353 1 348 . 1 1 32 32 LEU HB3 H 1 1.816 0.013 . 2 . 816 . . 32 LEU HB3 . 19353 1 349 . 1 1 32 32 LEU HG H 1 1.851 0.005 . 1 . 819 . . 32 LEU HG . 19353 1 350 . 1 1 32 32 LEU HD11 H 1 0.632 0.006 . 2 . 820 . . 32 LEU HD11 . 19353 1 351 . 1 1 32 32 LEU HD12 H 1 0.632 0.006 . 2 . 820 . . 32 LEU HD12 . 19353 1 352 . 1 1 32 32 LEU HD13 H 1 0.632 0.006 . 2 . 820 . . 32 LEU HD13 . 19353 1 353 . 1 1 32 32 LEU HD21 H 1 0.960 0.008 . 2 . 818 . . 32 LEU HD21 . 19353 1 354 . 1 1 32 32 LEU HD22 H 1 0.960 0.008 . 2 . 818 . . 32 LEU HD22 . 19353 1 355 . 1 1 32 32 LEU HD23 H 1 0.960 0.008 . 2 . 818 . . 32 LEU HD23 . 19353 1 356 . 1 1 32 32 LEU C C 13 180.634 0.200 . 1 . 1268 . . 32 LEU C . 19353 1 357 . 1 1 32 32 LEU CA C 13 58.697 0.12 . 1 . 299 . . 32 LEU CA . 19353 1 358 . 1 1 32 32 LEU CB C 13 42.565 0.054 . 1 . 815 . . 32 LEU CB . 19353 1 359 . 1 1 32 32 LEU CG C 13 27.867 0.02 . 1 . 817 . . 32 LEU CG . 19353 1 360 . 1 1 32 32 LEU CD1 C 13 26.900 0.017 . 2 . 821 . . 32 LEU CD1 . 19353 1 361 . 1 1 32 32 LEU CD2 C 13 23.453 0.021 . 2 . 822 . . 32 LEU CD2 . 19353 1 362 . 1 1 32 32 LEU N N 15 121.612 0.036 . 1 . 295 . . 32 LEU N . 19353 1 363 . 1 1 33 33 LEU H H 1 8.919 0.003 . 1 . 289 . . 33 LEU H . 19353 1 364 . 1 1 33 33 LEU HA H 1 4.068 0.016 . 1 . 565 . . 33 LEU HA . 19353 1 365 . 1 1 33 33 LEU HB2 H 1 1.927 0.008 . 2 . 827 . . 33 LEU HB2 . 19353 1 366 . 1 1 33 33 LEU HB3 H 1 1.589 0.006 . 2 . 825 . . 33 LEU HB3 . 19353 1 367 . 1 1 33 33 LEU HG H 1 1.339 0.006 . 1 . 823 . . 33 LEU HG . 19353 1 368 . 1 1 33 33 LEU HD11 H 1 0.732 0.012 . 2 . 828 . . 33 LEU HD11 . 19353 1 369 . 1 1 33 33 LEU HD12 H 1 0.732 0.012 . 2 . 828 . . 33 LEU HD12 . 19353 1 370 . 1 1 33 33 LEU HD13 H 1 0.732 0.012 . 2 . 828 . . 33 LEU HD13 . 19353 1 371 . 1 1 33 33 LEU HD21 H 1 0.708 0.007 . 2 . 829 . . 33 LEU HD21 . 19353 1 372 . 1 1 33 33 LEU HD22 H 1 0.708 0.007 . 2 . 829 . . 33 LEU HD22 . 19353 1 373 . 1 1 33 33 LEU HD23 H 1 0.708 0.007 . 2 . 829 . . 33 LEU HD23 . 19353 1 374 . 1 1 33 33 LEU C C 13 177.443 0.200 . 1 . 1270 . . 33 LEU C . 19353 1 375 . 1 1 33 33 LEU CA C 13 58.672 0.16 . 1 . 287 . . 33 LEU CA . 19353 1 376 . 1 1 33 33 LEU CB C 13 42.451 0.039 . 1 . 824 . . 33 LEU CB . 19353 1 377 . 1 1 33 33 LEU CG C 13 28.041 0.031 . 1 . 826 . . 33 LEU CG . 19353 1 378 . 1 1 33 33 LEU CD1 C 13 26.377 0.132 . 2 . 830 . . 33 LEU CD1 . 19353 1 379 . 1 1 33 33 LEU CD2 C 13 24.216 0.029 . 2 . 831 . . 33 LEU CD2 . 19353 1 380 . 1 1 33 33 LEU N N 15 123.031 0.017 . 1 . 290 . . 33 LEU N . 19353 1 381 . 1 1 34 34 ALA H H 1 7.790 0.004 . 1 . 286 . . 34 ALA H . 19353 1 382 . 1 1 34 34 ALA HA H 1 3.962 0.01 . 1 . 573 . . 34 ALA HA . 19353 1 383 . 1 1 34 34 ALA HB1 H 1 1.566 0.003 . 1 . 574 . . 34 ALA HB1 . 19353 1 384 . 1 1 34 34 ALA HB2 H 1 1.566 0.003 . 1 . 574 . . 34 ALA HB2 . 19353 1 385 . 1 1 34 34 ALA HB3 H 1 1.566 0.003 . 1 . 574 . . 34 ALA HB3 . 19353 1 386 . 1 1 34 34 ALA C C 13 181.350 0.200 . 1 . 1272 . . 34 ALA C . 19353 1 387 . 1 1 34 34 ALA CA C 13 56.259 0.026 . 1 . 281 . . 34 ALA CA . 19353 1 388 . 1 1 34 34 ALA CB C 13 18.451 0.026 . 1 . 834 . . 34 ALA CB . 19353 1 389 . 1 1 34 34 ALA N N 15 122.086 0.047 . 1 . 285 . . 34 ALA N . 19353 1 390 . 1 1 35 35 GLU H H 1 7.889 0.004 . 1 . 280 . . 35 GLU H . 19353 1 391 . 1 1 35 35 GLU HA H 1 4.066 0.008 . 1 . 578 . . 35 GLU HA . 19353 1 392 . 1 1 35 35 GLU HB2 H 1 2.150 0.011 . 2 . 579 . . 35 GLU HB2 . 19353 1 393 . 1 1 35 35 GLU HB3 H 1 2.144 0.01 . 2 . 580 . . 35 GLU HB3 . 19353 1 394 . 1 1 35 35 GLU HG2 H 1 2.414 0.009 . 2 . 1128 . . 35 GLU HG2 . 19353 1 395 . 1 1 35 35 GLU HG3 H 1 2.404 0.008 . 2 . 1129 . . 35 GLU HG3 . 19353 1 396 . 1 1 35 35 GLU C C 13 178.625 0.200 . 1 . 1274 . . 35 GLU C . 19353 1 397 . 1 1 35 35 GLU CA C 13 59.707 0.043 . 1 . 276 . . 35 GLU CA . 19353 1 398 . 1 1 35 35 GLU CB C 13 30.265 0.200 . 1 . 835 . . 35 GLU CB . 19353 1 399 . 1 1 35 35 GLU CG C 13 36.741 0.038 . 1 . 1132 . . 35 GLU CG . 19353 1 400 . 1 1 35 35 GLU N N 15 118.008 0.03 . 1 . 279 . . 35 GLU N . 19353 1 401 . 1 1 36 36 ALA H H 1 8.195 0.012 . 1 . 274 . . 36 ALA H . 19353 1 402 . 1 1 36 36 ALA HA H 1 4.159 0.008 . 1 . 838 . . 36 ALA HA . 19353 1 403 . 1 1 36 36 ALA HB1 H 1 0.968 0.007 . 1 . 583 . . 36 ALA HB1 . 19353 1 404 . 1 1 36 36 ALA HB2 H 1 0.968 0.007 . 1 . 583 . . 36 ALA HB2 . 19353 1 405 . 1 1 36 36 ALA HB3 H 1 0.968 0.007 . 1 . 583 . . 36 ALA HB3 . 19353 1 406 . 1 1 36 36 ALA C C 13 179.696 0.200 . 1 . 1276 . . 36 ALA C . 19353 1 407 . 1 1 36 36 ALA CA C 13 55.860 0.026 . 1 . 268 . . 36 ALA CA . 19353 1 408 . 1 1 36 36 ALA CB C 13 17.748 0.061 . 1 . 839 . . 36 ALA CB . 19353 1 409 . 1 1 36 36 ALA N N 15 125.419 0.026 . 1 . 273 . . 36 ALA N . 19353 1 410 . 1 1 37 37 LYS H H 1 8.351 0.005 . 1 . 266 . . 37 LYS H . 19353 1 411 . 1 1 37 37 LYS HA H 1 3.659 0.008 . 1 . 585 . . 37 LYS HA . 19353 1 412 . 1 1 37 37 LYS HB2 H 1 1.629 0.006 . 2 . 595 . . 37 LYS HB2 . 19353 1 413 . 1 1 37 37 LYS HB3 H 1 1.835 0.006 . 2 . 594 . . 37 LYS HB3 . 19353 1 414 . 1 1 37 37 LYS HG2 H 1 1.021 0.004 . 2 . 843 . . 37 LYS HG2 . 19353 1 415 . 1 1 37 37 LYS HG3 H 1 1.353 0.007 . 2 . 842 . . 37 LYS HG3 . 19353 1 416 . 1 1 37 37 LYS HD2 H 1 1.199 0.003 . 2 . 846 . . 37 LYS HD2 . 19353 1 417 . 1 1 37 37 LYS HD3 H 1 1.200 0.004 . 2 . 845 . . 37 LYS HD3 . 19353 1 418 . 1 1 37 37 LYS HE2 H 1 2.343 0.003 . 2 . 849 . . 37 LYS HE2 . 19353 1 419 . 1 1 37 37 LYS HE3 H 1 2.243 0.006 . 2 . 848 . . 37 LYS HE3 . 19353 1 420 . 1 1 37 37 LYS C C 13 179.190 0.200 . 1 . 1278 . . 37 LYS C . 19353 1 421 . 1 1 37 37 LYS CA C 13 60.563 0.026 . 1 . 267 . . 37 LYS CA . 19353 1 422 . 1 1 37 37 LYS CB C 13 33.096 0.029 . 1 . 841 . . 37 LYS CB . 19353 1 423 . 1 1 37 37 LYS CG C 13 25.960 0.036 . 1 . 844 . . 37 LYS CG . 19353 1 424 . 1 1 37 37 LYS CD C 13 30.300 0.015 . 1 . 847 . . 37 LYS CD . 19353 1 425 . 1 1 37 37 LYS CE C 13 42.045 0.025 . 1 . 850 . . 37 LYS CE . 19353 1 426 . 1 1 37 37 LYS N N 15 118.150 0.032 . 1 . 265 . . 37 LYS N . 19353 1 427 . 1 1 38 38 LYS H H 1 7.554 0.006 . 1 . 262 . . 38 LYS H . 19353 1 428 . 1 1 38 38 LYS HA H 1 4.116 0.005 . 1 . 589 . . 38 LYS HA . 19353 1 429 . 1 1 38 38 LYS HB2 H 1 1.940 0.002 . 2 . 591 . . 38 LYS HB2 . 19353 1 430 . 1 1 38 38 LYS HB3 H 1 1.938 0.003 . 2 . 590 . . 38 LYS HB3 . 19353 1 431 . 1 1 38 38 LYS HG2 H 1 1.445 0.002 . 2 . 865 . . 38 LYS HG2 . 19353 1 432 . 1 1 38 38 LYS HG3 H 1 1.645 0.003 . 2 . 862 . . 38 LYS HG3 . 19353 1 433 . 1 1 38 38 LYS HD2 H 1 1.727 0.006 . 2 . 871 . . 38 LYS HD2 . 19353 1 434 . 1 1 38 38 LYS HD3 H 1 1.727 0.004 . 2 . 870 . . 38 LYS HD3 . 19353 1 435 . 1 1 38 38 LYS HE2 H 1 2.962 0.005 . 1 . 877 . . 38 LYS HE2 . 19353 1 436 . 1 1 38 38 LYS HE3 H 1 2.962 0.005 . 1 . 876 . . 38 LYS HE3 . 19353 1 437 . 1 1 38 38 LYS C C 13 179.587 0.200 . 1 . 1280 . . 38 LYS C . 19353 1 438 . 1 1 38 38 LYS CA C 13 60.346 0.042 . 1 . 256 . . 38 LYS CA . 19353 1 439 . 1 1 38 38 LYS CB C 13 33.191 0.018 . 1 . 861 . . 38 LYS CB . 19353 1 440 . 1 1 38 38 LYS CG C 13 25.843 0.011 . 1 . 866 . . 38 LYS CG . 19353 1 441 . 1 1 38 38 LYS CD C 13 30.306 0.024 . 1 . 872 . . 38 LYS CD . 19353 1 442 . 1 1 38 38 LYS CE C 13 42.704 0.008 . 1 . 878 . . 38 LYS CE . 19353 1 443 . 1 1 38 38 LYS N N 15 120.431 0.025 . 1 . 261 . . 38 LYS N . 19353 1 444 . 1 1 39 39 LEU H H 1 8.165 0.006 . 1 . 254 . . 39 LEU H . 19353 1 445 . 1 1 39 39 LEU HA H 1 4.132 0.008 . 1 . 597 . . 39 LEU HA . 19353 1 446 . 1 1 39 39 LEU HB2 H 1 1.607 0.005 . 2 . 598 . . 39 LEU HB2 . 19353 1 447 . 1 1 39 39 LEU HB3 H 1 1.790 0.006 . 2 . 881 . . 39 LEU HB3 . 19353 1 448 . 1 1 39 39 LEU HG H 1 1.411 0.012 . 1 . 882 . . 39 LEU HG . 19353 1 449 . 1 1 39 39 LEU HD11 H 1 0.885 0.005 . 2 . 884 . . 39 LEU HD11 . 19353 1 450 . 1 1 39 39 LEU HD12 H 1 0.885 0.005 . 2 . 884 . . 39 LEU HD12 . 19353 1 451 . 1 1 39 39 LEU HD13 H 1 0.885 0.005 . 2 . 884 . . 39 LEU HD13 . 19353 1 452 . 1 1 39 39 LEU HD21 H 1 0.861 0.006 . 2 . 885 . . 39 LEU HD21 . 19353 1 453 . 1 1 39 39 LEU HD22 H 1 0.861 0.006 . 2 . 885 . . 39 LEU HD22 . 19353 1 454 . 1 1 39 39 LEU HD23 H 1 0.861 0.006 . 2 . 885 . . 39 LEU HD23 . 19353 1 455 . 1 1 39 39 LEU C C 13 177.925 0.200 . 1 . 1282 . . 39 LEU C . 19353 1 456 . 1 1 39 39 LEU CA C 13 58.304 0.074 . 1 . 255 . . 39 LEU CA . 19353 1 457 . 1 1 39 39 LEU CB C 13 42.728 0.037 . 1 . 880 . . 39 LEU CB . 19353 1 458 . 1 1 39 39 LEU CG C 13 27.303 0.027 . 1 . 883 . . 39 LEU CG . 19353 1 459 . 1 1 39 39 LEU CD1 C 13 24.051 0.355 . 2 . 887 . . 39 LEU CD1 . 19353 1 460 . 1 1 39 39 LEU CD2 C 13 25.433 0.404 . 2 . 886 . . 39 LEU CD2 . 19353 1 461 . 1 1 39 39 LEU N N 15 123.670 0.031 . 1 . 253 . . 39 LEU N . 19353 1 462 . 1 1 40 40 ASN H H 1 8.433 0.004 . 1 . 250 . . 40 ASN H . 19353 1 463 . 1 1 40 40 ASN HA H 1 3.916 0.021 . 1 . 601 . . 40 ASN HA . 19353 1 464 . 1 1 40 40 ASN HB2 H 1 3.028 0.009 . 2 . 899 . . 40 ASN HB2 . 19353 1 465 . 1 1 40 40 ASN HB3 H 1 2.420 0.012 . 2 . 604 . . 40 ASN HB3 . 19353 1 466 . 1 1 40 40 ASN HD21 H 1 6.726 0.006 . 1 . 1141 . . 40 ASN HD21 . 19353 1 467 . 1 1 40 40 ASN HD22 H 1 8.091 0.013 . 1 . 1144 . . 40 ASN HD22 . 19353 1 468 . 1 1 40 40 ASN C C 13 177.649 0.200 . 1 . 1284 . . 40 ASN C . 19353 1 469 . 1 1 40 40 ASN CA C 13 58.724 0.061 . 1 . 246 . . 40 ASN CA . 19353 1 470 . 1 1 40 40 ASN CB C 13 41.479 0.029 . 1 . 898 . . 40 ASN CB . 19353 1 471 . 1 1 40 40 ASN N N 15 117.565 0.032 . 1 . 249 . . 40 ASN N . 19353 1 472 . 1 1 40 40 ASN ND2 N 15 116.033 0.076 . 1 . 1315 . . 40 ASN ND2 . 19353 1 473 . 1 1 41 41 ASP H H 1 8.030 0.007 . 1 . 244 . . 41 ASP H . 19353 1 474 . 1 1 41 41 ASP HA H 1 4.531 0.011 . 1 . 609 . . 41 ASP HA . 19353 1 475 . 1 1 41 41 ASP HB2 H 1 2.769 0.01 . 2 . 610 . . 41 ASP HB2 . 19353 1 476 . 1 1 41 41 ASP HB3 H 1 2.760 0.012 . 2 . 611 . . 41 ASP HB3 . 19353 1 477 . 1 1 41 41 ASP C C 13 178.914 0.200 . 1 . 1286 . . 41 ASP C . 19353 1 478 . 1 1 41 41 ASP CA C 13 57.719 0.012 . 1 . 240 . . 41 ASP CA . 19353 1 479 . 1 1 41 41 ASP CB C 13 41.038 0.002 . 1 . 901 . . 41 ASP CB . 19353 1 480 . 1 1 41 41 ASP N N 15 119.617 0.026 . 1 . 243 . . 41 ASP N . 19353 1 481 . 1 1 42 42 ALA H H 1 8.230 0.004 . 1 . 239 . . 42 ALA H . 19353 1 482 . 1 1 42 42 ALA HA H 1 4.252 0.008 . 1 . 614 . . 42 ALA HA . 19353 1 483 . 1 1 42 42 ALA HB1 H 1 1.607 0.006 . 1 . 615 . . 42 ALA HB1 . 19353 1 484 . 1 1 42 42 ALA HB2 H 1 1.607 0.006 . 1 . 615 . . 42 ALA HB2 . 19353 1 485 . 1 1 42 42 ALA HB3 H 1 1.607 0.006 . 1 . 615 . . 42 ALA HB3 . 19353 1 486 . 1 1 42 42 ALA C C 13 179.447 0.200 . 1 . 1288 . . 42 ALA C . 19353 1 487 . 1 1 42 42 ALA CA C 13 55.126 0.032 . 1 . 233 . . 42 ALA CA . 19353 1 488 . 1 1 42 42 ALA CB C 13 19.149 0.03 . 1 . 902 . . 42 ALA CB . 19353 1 489 . 1 1 42 42 ALA N N 15 123.723 0.014 . 1 . 238 . . 42 ALA N . 19353 1 490 . 1 1 43 43 GLN H H 1 7.533 0.005 . 1 . 231 . . 43 GLN H . 19353 1 491 . 1 1 43 43 GLN HA H 1 4.427 0.003 . 1 . 618 . . 43 GLN HA . 19353 1 492 . 1 1 43 43 GLN HB2 H 1 2.534 0.01 . 2 . 620 . . 43 GLN HB2 . 19353 1 493 . 1 1 43 43 GLN HB3 H 1 1.720 0.007 . 2 . 619 . . 43 GLN HB3 . 19353 1 494 . 1 1 43 43 GLN HG2 H 1 2.339 0.008 . 2 . 911 . . 43 GLN HG2 . 19353 1 495 . 1 1 43 43 GLN HG3 H 1 2.650 0.006 . 2 . 908 . . 43 GLN HG3 . 19353 1 496 . 1 1 43 43 GLN HE21 H 1 8.669 0.006 . 1 . 1081 . . 43 GLN HE21 . 19353 1 497 . 1 1 43 43 GLN HE22 H 1 7.229 0.006 . 1 . 1135 . . 43 GLN HE22 . 19353 1 498 . 1 1 43 43 GLN C C 13 174.065 0.200 . 1 . 1290 . . 43 GLN C . 19353 1 499 . 1 1 43 43 GLN CA C 13 55.774 0.013 . 1 . 226 . . 43 GLN CA . 19353 1 500 . 1 1 43 43 GLN CB C 13 29.042 0.04 . 1 . 907 . . 43 GLN CB . 19353 1 501 . 1 1 43 43 GLN CG C 13 36.436 0.031 . 1 . 912 . . 43 GLN CG . 19353 1 502 . 1 1 43 43 GLN N N 15 115.236 0.04 . 1 . 232 . . 43 GLN N . 19353 1 503 . 1 1 43 43 GLN NE2 N 15 112.193 0.05 . 1 . 1309 . . 43 GLN NE2 . 19353 1 504 . 1 1 44 44 ALA H H 1 7.159 0.004 . 1 . 222 . . 44 ALA H . 19353 1 505 . 1 1 44 44 ALA HA H 1 4.384 0.01 . 1 . 628 . . 44 ALA HA . 19353 1 506 . 1 1 44 44 ALA HB1 H 1 1.488 0.005 . 1 . 630 . . 44 ALA HB1 . 19353 1 507 . 1 1 44 44 ALA HB2 H 1 1.488 0.005 . 1 . 630 . . 44 ALA HB2 . 19353 1 508 . 1 1 44 44 ALA HB3 H 1 1.488 0.005 . 1 . 630 . . 44 ALA HB3 . 19353 1 509 . 1 1 44 44 ALA CA C 13 51.786 0.026 . 1 . 225 . . 44 ALA CA . 19353 1 510 . 1 1 44 44 ALA CB C 13 18.691 0.009 . 1 . 915 . . 44 ALA CB . 19353 1 511 . 1 1 44 44 ALA N N 15 125.021 0.078 . 1 . 221 . . 44 ALA N . 19353 1 512 . 1 1 45 45 PRO HA H 1 4.472 0.005 . 1 . 622 . . 45 PRO HA . 19353 1 513 . 1 1 45 45 PRO HB2 H 1 1.997 0.014 . 2 . 626 . . 45 PRO HB2 . 19353 1 514 . 1 1 45 45 PRO HB3 H 1 2.351 0.004 . 2 . 624 . . 45 PRO HB3 . 19353 1 515 . 1 1 45 45 PRO HG2 H 1 2.107 0.005 . 2 . 919 . . 45 PRO HG2 . 19353 1 516 . 1 1 45 45 PRO HG3 H 1 2.118 0.009 . 2 . 920 . . 45 PRO HG3 . 19353 1 517 . 1 1 45 45 PRO HD2 H 1 3.676 0.004 . 2 . 927 . . 45 PRO HD2 . 19353 1 518 . 1 1 45 45 PRO HD3 H 1 3.853 0.016 . 2 . 924 . . 45 PRO HD3 . 19353 1 519 . 1 1 45 45 PRO C C 13 176.110 0.200 . 1 . 1291 . . 45 PRO C . 19353 1 520 . 1 1 45 45 PRO CA C 13 64.068 0.012 . 1 . 220 . . 45 PRO CA . 19353 1 521 . 1 1 45 45 PRO CB C 13 32.723 0.15 . 1 . 916 . . 45 PRO CB . 19353 1 522 . 1 1 45 45 PRO CG C 13 28.220 0.01 . 1 . 923 . . 45 PRO CG . 19353 1 523 . 1 1 45 45 PRO CD C 13 51.256 0.008 . 1 . 928 . . 45 PRO CD . 19353 1 524 . 1 1 46 46 LYS H H 1 8.069 0.003 . 1 . 216 . . 46 LYS H . 19353 1 525 . 1 1 46 46 LYS HA H 1 4.229 0.001 . 1 . 632 . . 46 LYS HA . 19353 1 526 . 1 1 46 46 LYS HB2 H 1 1.747 0.001 . 2 . 636 . . 46 LYS HB2 . 19353 1 527 . 1 1 46 46 LYS HB3 H 1 1.905 0.001 . 2 . 633 . . 46 LYS HB3 . 19353 1 528 . 1 1 46 46 LYS HG2 H 1 1.480 0.001 . 2 . 933 . . 46 LYS HG2 . 19353 1 529 . 1 1 46 46 LYS HG3 H 1 1.480 0.001 . 2 . 932 . . 46 LYS HG3 . 19353 1 530 . 1 1 46 46 LYS HD2 H 1 1.727 0.050 . 1 . 943 . . 46 LYS HD2 . 19353 1 531 . 1 1 46 46 LYS HD3 H 1 1.727 0.050 . 1 . 942 . . 46 LYS HD3 . 19353 1 532 . 1 1 46 46 LYS HE2 H 1 3.074 0.050 . 1 . 949 . . 46 LYS HE2 . 19353 1 533 . 1 1 46 46 LYS HE3 H 1 3.074 0.050 . 1 . 948 . . 46 LYS HE3 . 19353 1 534 . 1 1 46 46 LYS CA C 13 58.148 0.009 . 1 . 217 . . 46 LYS CA . 19353 1 535 . 1 1 46 46 LYS CB C 13 34.624 0.003 . 1 . 931 . . 46 LYS CB . 19353 1 536 . 1 1 46 46 LYS CG C 13 25.433 0.024 . 1 . 937 . . 46 LYS CG . 19353 1 537 . 1 1 46 46 LYS CD C 13 29.797 0.200 . 1 . 938 . . 46 LYS CD . 19353 1 538 . 1 1 46 46 LYS CE C 13 43.133 0.200 . 1 . 944 . . 46 LYS CE . 19353 1 539 . 1 1 46 46 LYS N N 15 127.907 0.018 . 1 . 215 . . 46 LYS N . 19353 1 540 . 2 1 2 2 GLY H H 1 8.041 0.005 . 1 . 209 . . 2 GLY H . 19353 1 541 . 2 1 2 2 GLY HA2 H 1 3.938 0.006 . 2 . 450 . . 2 GLY HA2 . 19353 1 542 . 2 1 2 2 GLY HA3 H 1 4.090 0.005 . 2 . 449 . . 2 GLY HA3 . 19353 1 543 . 2 1 2 2 GLY C C 13 173.224 0.200 . 1 . 1218 . . 2 GLY C . 19353 1 544 . 2 1 2 2 GLY CA C 13 45.998 0.022 . 1 . 210 . . 2 GLY CA . 19353 1 545 . 2 1 2 2 GLY N N 15 109.495 0.052 . 1 . 208 . . 2 GLY N . 19353 1 546 . 2 1 3 3 GLU H H 1 8.298 0.005 . 1 . 306 . . 3 GLU H . 19353 1 547 . 2 1 3 3 GLU HA H 1 4.566 0.005 . 1 . 451 . . 3 GLU HA . 19353 1 548 . 2 1 3 3 GLU HB2 H 1 2.115 0.008 . 2 . 455 . . 3 GLU HB2 . 19353 1 549 . 2 1 3 3 GLU HB3 H 1 2.112 0.008 . 2 . 458 . . 3 GLU HB3 . 19353 1 550 . 2 1 3 3 GLU HG2 H 1 2.221 0.005 . 2 . 642 . . 3 GLU HG2 . 19353 1 551 . 2 1 3 3 GLU HG3 H 1 2.345 0.005 . 2 . 641 . . 3 GLU HG3 . 19353 1 552 . 2 1 3 3 GLU C C 13 175.077 0.200 . 1 . 1220 . . 3 GLU C . 19353 1 553 . 2 1 3 3 GLU CA C 13 56.734 0.009 . 1 . 310 . . 3 GLU CA . 19353 1 554 . 2 1 3 3 GLU CB C 13 32.566 0.014 . 1 . 640 . . 3 GLU CB . 19353 1 555 . 2 1 3 3 GLU CG C 13 37.063 0.025 . 1 . 644 . . 3 GLU CG . 19353 1 556 . 2 1 3 3 GLU N N 15 121.838 0.026 . 1 . 305 . . 3 GLU N . 19353 1 557 . 2 1 4 4 ILE H H 1 8.272 0.003 . 1 . 315 . . 4 ILE H . 19353 1 558 . 2 1 4 4 ILE HA H 1 5.038 0.009 . 1 . 453 . . 4 ILE HA . 19353 1 559 . 2 1 4 4 ILE HB H 1 1.677 0.005 . 1 . 460 . . 4 ILE HB . 19353 1 560 . 2 1 4 4 ILE HG12 H 1 1.460 0.004 . 2 . 654 . . 4 ILE HG12 . 19353 1 561 . 2 1 4 4 ILE HG13 H 1 1.129 0.007 . 2 . 655 . . 4 ILE HG13 . 19353 1 562 . 2 1 4 4 ILE HG21 H 1 0.654 0.003 . 1 . 656 . . 4 ILE HG21 . 19353 1 563 . 2 1 4 4 ILE HG22 H 1 0.654 0.003 . 1 . 656 . . 4 ILE HG22 . 19353 1 564 . 2 1 4 4 ILE HG23 H 1 0.654 0.003 . 1 . 656 . . 4 ILE HG23 . 19353 1 565 . 2 1 4 4 ILE HD11 H 1 0.786 0.004 . 1 . 658 . . 4 ILE HD11 . 19353 1 566 . 2 1 4 4 ILE HD12 H 1 0.786 0.004 . 1 . 658 . . 4 ILE HD12 . 19353 1 567 . 2 1 4 4 ILE HD13 H 1 0.786 0.004 . 1 . 658 . . 4 ILE HD13 . 19353 1 568 . 2 1 4 4 ILE C C 13 176.181 0.200 . 1 . 1221 . . 4 ILE C . 19353 1 569 . 2 1 4 4 ILE CA C 13 60.903 0.043 . 1 . 316 . . 4 ILE CA . 19353 1 570 . 2 1 4 4 ILE CB C 13 39.893 0.013 . 1 . 653 . . 4 ILE CB . 19353 1 571 . 2 1 4 4 ILE CG1 C 13 28.343 0.025 . 1 . 657 . . 4 ILE CG1 . 19353 1 572 . 2 1 4 4 ILE CG2 C 13 18.256 0.036 . 1 . 659 . . 4 ILE CG2 . 19353 1 573 . 2 1 4 4 ILE CD1 C 13 13.803 0.014 . 1 . 660 . . 4 ILE CD1 . 19353 1 574 . 2 1 4 4 ILE N N 15 126.046 0.039 . 1 . 314 . . 4 ILE N . 19353 1 575 . 2 1 5 5 PHE H H 1 8.788 0.005 . 1 . 321 . . 5 PHE H . 19353 1 576 . 2 1 5 5 PHE HA H 1 5.088 0.009 . 1 . 459 . . 5 PHE HA . 19353 1 577 . 2 1 5 5 PHE HB2 H 1 2.996 0.012 . 2 . 467 . . 5 PHE HB2 . 19353 1 578 . 2 1 5 5 PHE HB3 H 1 3.043 0.012 . 2 . 466 . . 5 PHE HB3 . 19353 1 579 . 2 1 5 5 PHE HD1 H 1 6.999 0.008 . 3 . 665 . . 5 PHE HD1 . 19353 1 580 . 2 1 5 5 PHE HD2 H 1 6.999 0.008 . 3 . 665 . . 5 PHE HD2 . 19353 1 581 . 2 1 5 5 PHE HE1 H 1 7.321 0.006 . 3 . 1071 . . 5 PHE HE1 . 19353 1 582 . 2 1 5 5 PHE HE2 H 1 7.321 0.006 . 3 . 1071 . . 5 PHE HE2 . 19353 1 583 . 2 1 5 5 PHE HZ H 1 7.484 0.006 . 1 . 1072 . . 5 PHE HZ . 19353 1 584 . 2 1 5 5 PHE C C 13 180.804 0.200 . 1 . 1223 . . 5 PHE C . 19353 1 585 . 2 1 5 5 PHE CA C 13 56.216 0.026 . 1 . 322 . . 5 PHE CA . 19353 1 586 . 2 1 5 5 PHE CB C 13 42.414 0.031 . 1 . 664 . . 5 PHE CB . 19353 1 587 . 2 1 5 5 PHE CD1 C 13 132.257 0.038 . 3 . 1102 . . 5 PHE CD1 . 19353 1 588 . 2 1 5 5 PHE CD2 C 13 132.257 0.038 . 3 . 1102 . . 5 PHE CD2 . 19353 1 589 . 2 1 5 5 PHE CE1 C 13 130.436 0.200 . 3 . 1316 . . 5 PHE CE1 . 19353 1 590 . 2 1 5 5 PHE CE2 C 13 130.436 0.200 . 3 . 1316 . . 5 PHE CE2 . 19353 1 591 . 2 1 5 5 PHE N N 15 124.688 0.041 . 1 . 320 . . 5 PHE N . 19353 1 592 . 2 1 6 6 TYR H H 1 8.415 0.004 . 1 . 327 . . 6 TYR H . 19353 1 593 . 2 1 6 6 TYR HA H 1 4.929 0.008 . 1 . 465 . . 6 TYR HA . 19353 1 594 . 2 1 6 6 TYR HB2 H 1 2.816 0.011 . 2 . 672 . . 6 TYR HB2 . 19353 1 595 . 2 1 6 6 TYR HB3 H 1 3.221 0.007 . 2 . 670 . . 6 TYR HB3 . 19353 1 596 . 2 1 6 6 TYR HD1 H 1 7.206 0.006 . 3 . 673 . . 6 TYR HD1 . 19353 1 597 . 2 1 6 6 TYR HD2 H 1 7.206 0.006 . 3 . 673 . . 6 TYR HD2 . 19353 1 598 . 2 1 6 6 TYR HE1 H 1 6.549 0.005 . 3 . 1069 . . 6 TYR HE1 . 19353 1 599 . 2 1 6 6 TYR HE2 H 1 6.549 0.005 . 3 . 1069 . . 6 TYR HE2 . 19353 1 600 . 2 1 6 6 TYR C C 13 175.548 0.200 . 1 . 1225 . . 6 TYR C . 19353 1 601 . 2 1 6 6 TYR CA C 13 57.100 0.025 . 1 . 328 . . 6 TYR CA . 19353 1 602 . 2 1 6 6 TYR CB C 13 41.960 0.119 . 1 . 671 . . 6 TYR CB . 19353 1 603 . 2 1 6 6 TYR CD1 C 13 133.088 0.014 . 3 . 1101 . . 6 TYR CD1 . 19353 1 604 . 2 1 6 6 TYR CD2 C 13 133.088 0.014 . 3 . 1101 . . 6 TYR CD2 . 19353 1 605 . 2 1 6 6 TYR CE1 C 13 117.133 0.052 . 3 . 1100 . . 6 TYR CE1 . 19353 1 606 . 2 1 6 6 TYR CE2 C 13 117.133 0.052 . 3 . 1100 . . 6 TYR CE2 . 19353 1 607 . 2 1 6 6 TYR N N 15 118.505 0.036 . 1 . 326 . . 6 TYR N . 19353 1 608 . 2 1 7 7 LEU H H 1 8.614 0.01 . 1 . 333 . . 7 LEU H . 19353 1 609 . 2 1 7 7 LEU HA H 1 4.839 0.015 . 1 . 677 . . 7 LEU HA . 19353 1 610 . 2 1 7 7 LEU HB2 H 1 1.301 0.016 . 2 . 678 . . 7 LEU HB2 . 19353 1 611 . 2 1 7 7 LEU HB3 H 1 1.648 0.01 . 2 . 681 . . 7 LEU HB3 . 19353 1 612 . 2 1 7 7 LEU HG H 1 1.600 0.005 . 1 . 683 . . 7 LEU HG . 19353 1 613 . 2 1 7 7 LEU HD11 H 1 0.757 0.006 . 2 . 684 . . 7 LEU HD11 . 19353 1 614 . 2 1 7 7 LEU HD12 H 1 0.757 0.006 . 2 . 684 . . 7 LEU HD12 . 19353 1 615 . 2 1 7 7 LEU HD13 H 1 0.757 0.006 . 2 . 684 . . 7 LEU HD13 . 19353 1 616 . 2 1 7 7 LEU HD21 H 1 0.391 0.004 . 2 . 685 . . 7 LEU HD21 . 19353 1 617 . 2 1 7 7 LEU HD22 H 1 0.391 0.004 . 2 . 685 . . 7 LEU HD22 . 19353 1 618 . 2 1 7 7 LEU HD23 H 1 0.391 0.004 . 2 . 685 . . 7 LEU HD23 . 19353 1 619 . 2 1 7 7 LEU CA C 13 52.828 0.038 . 1 . 334 . . 7 LEU CA . 19353 1 620 . 2 1 7 7 LEU CB C 13 43.854 0.034 . 1 . 680 . . 7 LEU CB . 19353 1 621 . 2 1 7 7 LEU CG C 13 26.807 0.023 . 1 . 682 . . 7 LEU CG . 19353 1 622 . 2 1 7 7 LEU CD1 C 13 23.864 0.024 . 2 . 692 . . 7 LEU CD1 . 19353 1 623 . 2 1 7 7 LEU CD2 C 13 26.776 0.032 . 2 . 693 . . 7 LEU CD2 . 19353 1 624 . 2 1 7 7 LEU N N 15 119.897 0.035 . 1 . 332 . . 7 LEU N . 19353 1 625 . 2 1 8 8 PRO HA H 1 4.552 0.008 . 1 . 469 . . 8 PRO HA . 19353 1 626 . 2 1 8 8 PRO HB2 H 1 2.332 0.009 . 2 . 1189 . . 8 PRO HB2 . 19353 1 627 . 2 1 8 8 PRO HB3 H 1 2.042 0.011 . 2 . 1188 . . 8 PRO HB3 . 19353 1 628 . 2 1 8 8 PRO HG2 H 1 1.966 0.008 . 2 . 1185 . . 8 PRO HG2 . 19353 1 629 . 2 1 8 8 PRO HG3 H 1 2.043 0.012 . 2 . 1186 . . 8 PRO HG3 . 19353 1 630 . 2 1 8 8 PRO HD2 H 1 3.766 0.013 . 2 . 701 . . 8 PRO HD2 . 19353 1 631 . 2 1 8 8 PRO HD3 H 1 3.539 0.011 . 2 . 700 . . 8 PRO HD3 . 19353 1 632 . 2 1 8 8 PRO C C 13 177.359 0.200 . 1 . 1227 . . 8 PRO C . 19353 1 633 . 2 1 8 8 PRO CA C 13 65.432 0.086 . 1 . 345 . . 8 PRO CA . 19353 1 634 . 2 1 8 8 PRO CB C 13 33.471 0.025 . 1 . 1187 . . 8 PRO CB . 19353 1 635 . 2 1 8 8 PRO CG C 13 27.946 0.038 . 1 . 1184 . . 8 PRO CG . 19353 1 636 . 2 1 8 8 PRO CD C 13 51.497 0.058 . 1 . 1183 . . 8 PRO CD . 19353 1 637 . 2 1 9 9 ASN H H 1 8.947 0.004 . 1 . 338 . . 9 ASN H . 19353 1 638 . 2 1 9 9 ASN HA H 1 4.957 0.007 . 1 . 475 . . 9 ASN HA . 19353 1 639 . 2 1 9 9 ASN HB2 H 1 2.785 0.01 . 2 . 480 . . 9 ASN HB2 . 19353 1 640 . 2 1 9 9 ASN HB3 H 1 2.957 0.01 . 2 . 479 . . 9 ASN HB3 . 19353 1 641 . 2 1 9 9 ASN HD21 H 1 7.071 0.01 . 1 . 1143 . . 9 ASN HD21 . 19353 1 642 . 2 1 9 9 ASN HD22 H 1 7.401 0.008 . 1 . 706 . . 9 ASN HD22 . 19353 1 643 . 2 1 9 9 ASN C C 13 175.930 0.200 . 1 . 1229 . . 9 ASN C . 19353 1 644 . 2 1 9 9 ASN CA C 13 53.350 0.034 . 1 . 343 . . 9 ASN CA . 19353 1 645 . 2 1 9 9 ASN CB C 13 39.480 0.029 . 1 . 703 . . 9 ASN CB . 19353 1 646 . 2 1 9 9 ASN N N 15 113.790 0.038 . 1 . 337 . . 9 ASN N . 19353 1 647 . 2 1 9 9 ASN ND2 N 15 115.332 0.057 . 1 . 1313 . . 9 ASN ND2 . 19353 1 648 . 2 1 10 10 LEU H H 1 7.081 0.01 . 1 . 342 . . 10 LEU H . 19353 1 649 . 2 1 10 10 LEU HA H 1 4.345 0.017 . 1 . 476 . . 10 LEU HA . 19353 1 650 . 2 1 10 10 LEU HB2 H 1 1.513 0.008 . 2 . 709 . . 10 LEU HB2 . 19353 1 651 . 2 1 10 10 LEU HB3 H 1 1.413 0.013 . 2 . 708 . . 10 LEU HB3 . 19353 1 652 . 2 1 10 10 LEU HG H 1 1.610 0.015 . 1 . 711 . . 10 LEU HG . 19353 1 653 . 2 1 10 10 LEU HD11 H 1 0.660 0.006 . 2 . 712 . . 10 LEU HD11 . 19353 1 654 . 2 1 10 10 LEU HD12 H 1 0.660 0.006 . 2 . 712 . . 10 LEU HD12 . 19353 1 655 . 2 1 10 10 LEU HD13 H 1 0.660 0.006 . 2 . 712 . . 10 LEU HD13 . 19353 1 656 . 2 1 10 10 LEU HD21 H 1 0.565 0.008 . 2 . 713 . . 10 LEU HD21 . 19353 1 657 . 2 1 10 10 LEU HD22 H 1 0.565 0.008 . 2 . 713 . . 10 LEU HD22 . 19353 1 658 . 2 1 10 10 LEU HD23 H 1 0.565 0.008 . 2 . 713 . . 10 LEU HD23 . 19353 1 659 . 2 1 10 10 LEU C C 13 176.117 0.200 . 1 . 1231 . . 10 LEU C . 19353 1 660 . 2 1 10 10 LEU CA C 13 55.677 0.015 . 1 . 346 . . 10 LEU CA . 19353 1 661 . 2 1 10 10 LEU CB C 13 42.173 0.042 . 1 . 707 . . 10 LEU CB . 19353 1 662 . 2 1 10 10 LEU CG C 13 29.186 0.051 . 1 . 710 . . 10 LEU CG . 19353 1 663 . 2 1 10 10 LEU CD1 C 13 25.528 0.035 . 2 . 714 . . 10 LEU CD1 . 19353 1 664 . 2 1 10 10 LEU CD2 C 13 23.559 0.025 . 2 . 715 . . 10 LEU CD2 . 19353 1 665 . 2 1 10 10 LEU N N 15 121.596 0.047 . 1 . 341 . . 10 LEU N . 19353 1 666 . 2 1 11 11 ASN H H 1 8.729 0.006 . 1 . 351 . . 11 ASN H . 19353 1 667 . 2 1 11 11 ASN HA H 1 4.790 0.01 . 1 . 726 . . 11 ASN HA . 19353 1 668 . 2 1 11 11 ASN HB2 H 1 2.783 0.011 . 2 . 730 . . 11 ASN HB2 . 19353 1 669 . 2 1 11 11 ASN HB3 H 1 3.119 0.008 . 2 . 729 . . 11 ASN HB3 . 19353 1 670 . 2 1 11 11 ASN HD21 H 1 7.176 0.008 . 1 . 734 . . 11 ASN HD21 . 19353 1 671 . 2 1 11 11 ASN HD22 H 1 7.665 0.015 . 1 . 1082 . . 11 ASN HD22 . 19353 1 672 . 2 1 11 11 ASN CA C 13 51.998 0.024 . 1 . 353 . . 11 ASN CA . 19353 1 673 . 2 1 11 11 ASN CB C 13 37.794 0.031 . 1 . 733 . . 11 ASN CB . 19353 1 674 . 2 1 11 11 ASN N N 15 122.174 0.045 . 1 . 350 . . 11 ASN N . 19353 1 675 . 2 1 11 11 ASN ND2 N 15 114.190 0.066 . 1 . 1310 . . 11 ASN ND2 . 19353 1 676 . 2 1 12 12 PRO HA H 1 3.915 0.012 . 1 . 1163 . . 12 PRO HA . 19353 1 677 . 2 1 12 12 PRO HB2 H 1 1.563 0.015 . 2 . 1204 . . 12 PRO HB2 . 19353 1 678 . 2 1 12 12 PRO HB3 H 1 1.098 0.015 . 2 . 1203 . . 12 PRO HB3 . 19353 1 679 . 2 1 12 12 PRO HG2 H 1 1.714 0.004 . 2 . 1197 . . 12 PRO HG2 . 19353 1 680 . 2 1 12 12 PRO HG3 H 1 1.604 0.007 . 2 . 1198 . . 12 PRO HG3 . 19353 1 681 . 2 1 12 12 PRO HD2 H 1 3.466 0.008 . 2 . 1199 . . 12 PRO HD2 . 19353 1 682 . 2 1 12 12 PRO HD3 H 1 3.385 0.013 . 2 . 1200 . . 12 PRO HD3 . 19353 1 683 . 2 1 12 12 PRO C C 13 176.289 0.200 . 1 . 1233 . . 12 PRO C . 19353 1 684 . 2 1 12 12 PRO CA C 13 66.819 0.061 . 1 . 1168 . . 12 PRO CA . 19353 1 685 . 2 1 12 12 PRO CB C 13 31.212 0.06 . 1 . 1202 . . 12 PRO CB . 19353 1 686 . 2 1 12 12 PRO CG C 13 29.083 0.031 . 1 . 1196 . . 12 PRO CG . 19353 1 687 . 2 1 12 12 PRO CD C 13 50.331 0.042 . 1 . 1201 . . 12 PRO CD . 19353 1 688 . 2 1 13 13 ASP H H 1 8.066 0.005 . 1 . 1084 . . 13 ASP H . 19353 1 689 . 2 1 13 13 ASP HA H 1 4.545 0.007 . 1 . 1211 . . 13 ASP HA . 19353 1 690 . 2 1 13 13 ASP HB2 H 1 2.676 0.005 . 2 . 1210 . . 13 ASP HB2 . 19353 1 691 . 2 1 13 13 ASP HB3 H 1 2.791 0.017 . 2 . 1209 . . 13 ASP HB3 . 19353 1 692 . 2 1 13 13 ASP C C 13 179.157 0.200 . 1 . 1234 . . 13 ASP C . 19353 1 693 . 2 1 13 13 ASP CA C 13 58.417 0.016 . 1 . 1212 . . 13 ASP CA . 19353 1 694 . 2 1 13 13 ASP CB C 13 40.914 0.200 . 1 . 1213 . . 13 ASP CB . 19353 1 695 . 2 1 13 13 ASP N N 15 118.423 0.108 . 1 . 1208 . . 13 ASP N . 19353 1 696 . 2 1 14 14 GLN H H 1 8.073 0.005 . 1 . 1151 . . 14 GLN H . 19353 1 697 . 2 1 14 14 GLN HA H 1 3.987 0.01 . 1 . 1153 . . 14 GLN HA . 19353 1 698 . 2 1 14 14 GLN HB2 H 1 1.634 0.013 . 2 . 1156 . . 14 GLN HB2 . 19353 1 699 . 2 1 14 14 GLN HB3 H 1 2.335 0.005 . 2 . 1158 . . 14 GLN HB3 . 19353 1 700 . 2 1 14 14 GLN HG2 H 1 2.326 0.008 . 2 . 1155 . . 14 GLN HG2 . 19353 1 701 . 2 1 14 14 GLN HG3 H 1 2.628 0.015 . 2 . 1154 . . 14 GLN HG3 . 19353 1 702 . 2 1 14 14 GLN HE21 H 1 7.721 0.007 . 1 . 1137 . . 14 GLN HE21 . 19353 1 703 . 2 1 14 14 GLN HE22 H 1 8.178 0.01 . 1 . 1136 . . 14 GLN HE22 . 19353 1 704 . 2 1 14 14 GLN C C 13 179.837 0.200 . 1 . 1235 . . 14 GLN C . 19353 1 705 . 2 1 14 14 GLN CA C 13 58.829 0.057 . 1 . 1152 . . 14 GLN CA . 19353 1 706 . 2 1 14 14 GLN CB C 13 29.283 0.200 . 1 . 1157 . . 14 GLN CB . 19353 1 707 . 2 1 14 14 GLN CG C 13 34.810 0.046 . 1 . 1159 . . 14 GLN CG . 19353 1 708 . 2 1 14 14 GLN N N 15 123.133 0.031 . 1 . 1161 . . 14 GLN N . 19353 1 709 . 2 1 14 14 GLN NE2 N 15 114.164 0.048 . 1 . 1305 . . 14 GLN NE2 . 19353 1 710 . 2 1 15 15 LEU H H 1 8.225 0.006 . 1 . 1171 . . 15 LEU H . 19353 1 711 . 2 1 15 15 LEU HA H 1 3.344 0.007 . 1 . 1167 . . 15 LEU HA . 19353 1 712 . 2 1 15 15 LEU HB2 H 1 0.847 0.008 . 2 . 1165 . . 15 LEU HB2 . 19353 1 713 . 2 1 15 15 LEU HB3 H 1 1.272 0.009 . 2 . 1164 . . 15 LEU HB3 . 19353 1 714 . 2 1 15 15 LEU HG H 1 0.995 0.005 . 1 . 951 . . 15 LEU HG . 19353 1 715 . 2 1 15 15 LEU HD11 H 1 0.138 0.005 . 2 . 953 . . 15 LEU HD11 . 19353 1 716 . 2 1 15 15 LEU HD12 H 1 0.138 0.005 . 2 . 953 . . 15 LEU HD12 . 19353 1 717 . 2 1 15 15 LEU HD13 H 1 0.138 0.005 . 2 . 953 . . 15 LEU HD13 . 19353 1 718 . 2 1 15 15 LEU HD21 H 1 0.243 0.018 . 2 . 950 . . 15 LEU HD21 . 19353 1 719 . 2 1 15 15 LEU HD22 H 1 0.243 0.018 . 2 . 950 . . 15 LEU HD22 . 19353 1 720 . 2 1 15 15 LEU HD23 H 1 0.243 0.018 . 2 . 950 . . 15 LEU HD23 . 19353 1 721 . 2 1 15 15 LEU CA C 13 58.062 0.022 . 1 . 1169 . . 15 LEU CA . 19353 1 722 . 2 1 15 15 LEU CB C 13 42.294 0.02 . 1 . 1166 . . 15 LEU CB . 19353 1 723 . 2 1 15 15 LEU CG C 13 26.567 0.015 . 1 . 952 . . 15 LEU CG . 19353 1 724 . 2 1 15 15 LEU CD1 C 13 23.492 0.029 . 2 . 955 . . 15 LEU CD1 . 19353 1 725 . 2 1 15 15 LEU CD2 C 13 25.089 0.365 . 2 . 954 . . 15 LEU CD2 . 19353 1 726 . 2 1 15 15 LEU N N 15 122.206 0.035 . 1 . 1170 . . 15 LEU N . 19353 1 727 . 2 1 16 16 CYS C C 13 176.282 0.200 . 1 . 1238 . . 16 CYS C . 19353 1 728 . 2 1 16 16 CYS CA C 13 60.451 0.200 . 1 . 391 . . 16 CYS CA . 19353 1 729 . 2 1 17 17 ALA H H 1 7.758 0.004 . 1 . 379 . . 17 ALA H . 19353 1 730 . 2 1 17 17 ALA HA H 1 4.267 0.006 . 1 . 481 . . 17 ALA HA . 19353 1 731 . 2 1 17 17 ALA HB1 H 1 1.500 0.006 . 1 . 482 . . 17 ALA HB1 . 19353 1 732 . 2 1 17 17 ALA HB2 H 1 1.500 0.006 . 1 . 482 . . 17 ALA HB2 . 19353 1 733 . 2 1 17 17 ALA HB3 H 1 1.500 0.006 . 1 . 482 . . 17 ALA HB3 . 19353 1 734 . 2 1 17 17 ALA C C 13 180.273 0.200 . 1 . 1240 . . 17 ALA C . 19353 1 735 . 2 1 17 17 ALA CA C 13 55.892 0.011 . 1 . 390 . . 17 ALA CA . 19353 1 736 . 2 1 17 17 ALA CB C 13 18.484 0.028 . 1 . 735 . . 17 ALA CB . 19353 1 737 . 2 1 17 17 ALA N N 15 120.963 0.027 . 1 . 378 . . 17 ALA N . 19353 1 738 . 2 1 18 18 PHE H H 1 7.403 0.012 . 1 . 375 . . 18 PHE H . 19353 1 739 . 2 1 18 18 PHE HA H 1 4.596 0.011 . 1 . 485 . . 18 PHE HA . 19353 1 740 . 2 1 18 18 PHE HB2 H 1 2.922 0.009 . 2 . 486 . . 18 PHE HB2 . 19353 1 741 . 2 1 18 18 PHE HB3 H 1 3.106 0.014 . 2 . 737 . . 18 PHE HB3 . 19353 1 742 . 2 1 18 18 PHE HD1 H 1 7.018 0.013 . 3 . 739 . . 18 PHE HD1 . 19353 1 743 . 2 1 18 18 PHE HD2 H 1 7.018 0.013 . 3 . 739 . . 18 PHE HD2 . 19353 1 744 . 2 1 18 18 PHE HE1 H 1 7.175 0.006 . 3 . 1112 . . 18 PHE HE1 . 19353 1 745 . 2 1 18 18 PHE HE2 H 1 7.175 0.006 . 3 . 1112 . . 18 PHE HE2 . 19353 1 746 . 2 1 18 18 PHE HZ H 1 7.364 0.005 . 1 . 1115 . . 18 PHE HZ . 19353 1 747 . 2 1 18 18 PHE C C 13 176.827 0.200 . 1 . 1242 . . 18 PHE C . 19353 1 748 . 2 1 18 18 PHE CA C 13 61.275 0.019 . 1 . 392 . . 18 PHE CA . 19353 1 749 . 2 1 18 18 PHE CB C 13 38.635 0.029 . 1 . 738 . . 18 PHE CB . 19353 1 750 . 2 1 18 18 PHE CD1 C 13 131.349 0.041 . 3 . 1104 . . 18 PHE CD1 . 19353 1 751 . 2 1 18 18 PHE CD2 C 13 131.349 0.041 . 3 . 1104 . . 18 PHE CD2 . 19353 1 752 . 2 1 18 18 PHE CE1 C 13 127.692 0.014 . 3 . 1113 . . 18 PHE CE1 . 19353 1 753 . 2 1 18 18 PHE CE2 C 13 127.692 0.014 . 3 . 1113 . . 18 PHE CE2 . 19353 1 754 . 2 1 18 18 PHE CZ C 13 130.143 0.031 . 1 . 1114 . . 18 PHE CZ . 19353 1 755 . 2 1 18 18 PHE N N 15 121.960 0.026 . 1 . 374 . . 18 PHE N . 19353 1 756 . 2 1 19 19 PHE H H 1 8.317 0.007 . 1 . 371 . . 19 PHE H . 19353 1 757 . 2 1 19 19 PHE HA H 1 4.136 0.006 . 1 . 1092 . . 19 PHE HA . 19353 1 758 . 2 1 19 19 PHE HB2 H 1 3.227 0.008 . 2 . 488 . . 19 PHE HB2 . 19353 1 759 . 2 1 19 19 PHE HB3 H 1 2.898 0.006 . 2 . 1093 . . 19 PHE HB3 . 19353 1 760 . 2 1 19 19 PHE HD1 H 1 6.791 0.011 . 3 . 1095 . . 19 PHE HD1 . 19353 1 761 . 2 1 19 19 PHE HD2 H 1 6.791 0.011 . 3 . 1095 . . 19 PHE HD2 . 19353 1 762 . 2 1 19 19 PHE HE1 H 1 6.922 0.050 . 3 . 1304 . . 19 PHE HE1 . 19353 1 763 . 2 1 19 19 PHE HE2 H 1 6.922 0.050 . 3 . 1304 . . 19 PHE HE2 . 19353 1 764 . 2 1 19 19 PHE C C 13 180.979 0.200 . 1 . 1244 . . 19 PHE C . 19353 1 765 . 2 1 19 19 PHE CA C 13 58.636 0.02 . 1 . 1091 . . 19 PHE CA . 19353 1 766 . 2 1 19 19 PHE CB C 13 38.123 0.051 . 1 . 1096 . . 19 PHE CB . 19353 1 767 . 2 1 19 19 PHE N N 15 118.779 0.07 . 1 . 370 . . 19 PHE N . 19353 1 768 . 2 1 20 20 HIS H H 1 8.356 0.006 . 1 . 367 . . 20 HIS H . 19353 1 769 . 2 1 20 20 HIS HA H 1 4.191 0.008 . 1 . 490 . . 20 HIS HA . 19353 1 770 . 2 1 20 20 HIS HB2 H 1 3.230 0.008 . 2 . 492 . . 20 HIS HB2 . 19353 1 771 . 2 1 20 20 HIS HB3 H 1 3.220 0.005 . 2 . 493 . . 20 HIS HB3 . 19353 1 772 . 2 1 20 20 HIS C C 13 176.939 0.200 . 1 . 1246 . . 20 HIS C . 19353 1 773 . 2 1 20 20 HIS CA C 13 61.885 0.027 . 1 . 393 . . 20 HIS CA . 19353 1 774 . 2 1 20 20 HIS CB C 13 31.277 0.200 . 1 . 742 . . 20 HIS CB . 19353 1 775 . 2 1 20 20 HIS N N 15 117.772 0.044 . 1 . 366 . . 20 HIS N . 19353 1 776 . 2 1 21 21 SER H H 1 8.747 0.006 . 1 . 363 . . 21 SER H . 19353 1 777 . 2 1 21 21 SER HA H 1 4.342 0.01 . 1 . 499 . . 21 SER HA . 19353 1 778 . 2 1 21 21 SER HB2 H 1 4.065 0.012 . 1 . 500 . . 21 SER HB2 . 19353 1 779 . 2 1 21 21 SER HB3 H 1 4.065 0.012 . 1 . 745 . . 21 SER HB3 . 19353 1 780 . 2 1 21 21 SER C C 13 176.702 0.200 . 1 . 1248 . . 21 SER C . 19353 1 781 . 2 1 21 21 SER CA C 13 63.612 0.061 . 1 . 394 . . 21 SER CA . 19353 1 782 . 2 1 21 21 SER CB C 13 63.305 0.200 . 1 . 744 . . 21 SER CB . 19353 1 783 . 2 1 21 21 SER N N 15 117.775 0.025 . 1 . 362 . . 21 SER N . 19353 1 784 . 2 1 22 22 VAL H H 1 8.118 0.004 . 1 . 359 . . 22 VAL H . 19353 1 785 . 2 1 22 22 VAL HA H 1 3.561 0.01 . 1 . 496 . . 22 VAL HA . 19353 1 786 . 2 1 22 22 VAL HB H 1 2.010 0.004 . 1 . 504 . . 22 VAL HB . 19353 1 787 . 2 1 22 22 VAL HG11 H 1 0.679 0.007 . 2 . 750 . . 22 VAL HG11 . 19353 1 788 . 2 1 22 22 VAL HG12 H 1 0.679 0.007 . 2 . 750 . . 22 VAL HG12 . 19353 1 789 . 2 1 22 22 VAL HG13 H 1 0.679 0.007 . 2 . 750 . . 22 VAL HG13 . 19353 1 790 . 2 1 22 22 VAL HG21 H 1 0.854 0.006 . 2 . 749 . . 22 VAL HG21 . 19353 1 791 . 2 1 22 22 VAL HG22 H 1 0.854 0.006 . 2 . 749 . . 22 VAL HG22 . 19353 1 792 . 2 1 22 22 VAL HG23 H 1 0.854 0.006 . 2 . 749 . . 22 VAL HG23 . 19353 1 793 . 2 1 22 22 VAL C C 13 176.529 0.200 . 1 . 1250 . . 22 VAL C . 19353 1 794 . 2 1 22 22 VAL CA C 13 65.760 0.042 . 1 . 395 . . 22 VAL CA . 19353 1 795 . 2 1 22 22 VAL CB C 13 32.372 0.031 . 1 . 748 . . 22 VAL CB . 19353 1 796 . 2 1 22 22 VAL CG1 C 13 23.469 0.019 . 2 . 755 . . 22 VAL CG1 . 19353 1 797 . 2 1 22 22 VAL CG2 C 13 22.823 0.013 . 2 . 754 . . 22 VAL CG2 . 19353 1 798 . 2 1 22 22 VAL N N 15 119.817 0.041 . 1 . 358 . . 22 VAL N . 19353 1 799 . 2 1 23 23 HIS H H 1 7.284 0.007 . 1 . 355 . . 23 HIS H . 19353 1 800 . 2 1 23 23 HIS HA H 1 4.294 0.01 . 1 . 503 . . 23 HIS HA . 19353 1 801 . 2 1 23 23 HIS HB2 H 1 3.232 0.006 . 2 . 760 . . 23 HIS HB2 . 19353 1 802 . 2 1 23 23 HIS HB3 H 1 3.415 0.015 . 2 . 507 . . 23 HIS HB3 . 19353 1 803 . 2 1 23 23 HIS C C 13 177.161 0.200 . 1 . 1252 . . 23 HIS C . 19353 1 804 . 2 1 23 23 HIS CA C 13 60.036 0.028 . 1 . 396 . . 23 HIS CA . 19353 1 805 . 2 1 23 23 HIS CB C 13 31.713 0.044 . 1 . 759 . . 23 HIS CB . 19353 1 806 . 2 1 23 23 HIS N N 15 118.775 0.052 . 1 . 354 . . 23 HIS N . 19353 1 807 . 2 1 24 24 ASP H H 1 8.532 0.003 . 1 . 383 . . 24 ASP H . 19353 1 808 . 2 1 24 24 ASP HA H 1 4.442 0.007 . 1 . 510 . . 24 ASP HA . 19353 1 809 . 2 1 24 24 ASP HB2 H 1 2.795 0.015 . 2 . 512 . . 24 ASP HB2 . 19353 1 810 . 2 1 24 24 ASP HB3 H 1 2.794 0.016 . 2 . 511 . . 24 ASP HB3 . 19353 1 811 . 2 1 24 24 ASP C C 13 177.049 0.200 . 1 . 1254 . . 24 ASP C . 19353 1 812 . 2 1 24 24 ASP CA C 13 57.259 0.037 . 1 . 397 . . 24 ASP CA . 19353 1 813 . 2 1 24 24 ASP CB C 13 41.549 0.200 . 1 . 762 . . 24 ASP CB . 19353 1 814 . 2 1 24 24 ASP N N 15 118.114 0.025 . 1 . 382 . . 24 ASP N . 19353 1 815 . 2 1 25 25 ASP H H 1 7.392 0.004 . 1 . 387 . . 25 ASP H . 19353 1 816 . 2 1 25 25 ASP HA H 1 5.013 0.008 . 1 . 509 . . 25 ASP HA . 19353 1 817 . 2 1 25 25 ASP HB2 H 1 2.490 0.003 . 2 . 518 . . 25 ASP HB2 . 19353 1 818 . 2 1 25 25 ASP HB3 H 1 3.021 0.01 . 2 . 517 . . 25 ASP HB3 . 19353 1 819 . 2 1 25 25 ASP CA C 13 52.379 0.032 . 1 . 398 . . 25 ASP CA . 19353 1 820 . 2 1 25 25 ASP CB C 13 41.228 0.200 . 1 . 763 . . 25 ASP CB . 19353 1 821 . 2 1 25 25 ASP N N 15 115.208 0.037 . 1 . 386 . . 25 ASP N . 19353 1 822 . 2 1 26 26 PRO HA H 1 4.523 0.050 . 1 . 1301 . . 26 PRO HA . 19353 1 823 . 2 1 26 26 PRO HG2 H 1 2.176 0.004 . 2 . 1124 . . 26 PRO HG2 . 19353 1 824 . 2 1 26 26 PRO HG3 H 1 2.109 0.026 . 2 . 1125 . . 26 PRO HG3 . 19353 1 825 . 2 1 26 26 PRO HD2 H 1 3.795 0.005 . 2 . 1121 . . 26 PRO HD2 . 19353 1 826 . 2 1 26 26 PRO HD3 H 1 3.585 0.009 . 2 . 1120 . . 26 PRO HD3 . 19353 1 827 . 2 1 26 26 PRO C C 13 180.064 0.200 . 1 . 1257 . . 26 PRO C . 19353 1 828 . 2 1 26 26 PRO CA C 13 65.543 0.200 . 1 . 1303 . . 26 PRO CA . 19353 1 829 . 2 1 26 26 PRO CG C 13 28.034 0.015 . 1 . 1127 . . 26 PRO CG . 19353 1 830 . 2 1 26 26 PRO CD C 13 50.814 0.013 . 1 . 1119 . . 26 PRO CD . 19353 1 831 . 2 1 27 27 SER H H 1 8.383 0.001 . 1 . 548 . . 27 SER H . 19353 1 832 . 2 1 27 27 SER HA H 1 4.485 0.014 . 1 . 537 . . 27 SER HA . 19353 1 833 . 2 1 27 27 SER HB2 H 1 4.093 0.009 . 2 . 542 . . 27 SER HB2 . 19353 1 834 . 2 1 27 27 SER HB3 H 1 4.093 0.009 . 2 . 541 . . 27 SER HB3 . 19353 1 835 . 2 1 27 27 SER C C 13 176.208 0.200 . 1 . 1258 . . 27 SER C . 19353 1 836 . 2 1 27 27 SER CA C 13 62.132 0.018 . 1 . 544 . . 27 SER CA . 19353 1 837 . 2 1 27 27 SER CB C 13 63.412 0.200 . 1 . 766 . . 27 SER CB . 19353 1 838 . 2 1 27 27 SER N N 15 115.895 0.036 . 1 . 547 . . 27 SER N . 19353 1 839 . 2 1 28 28 GLN H H 1 7.916 0.004 . 1 . 415 . . 28 GLN H . 19353 1 840 . 2 1 28 28 GLN HA H 1 4.795 0.007 . 1 . 529 . . 28 GLN HA . 19353 1 841 . 2 1 28 28 GLN HB2 H 1 1.969 0.012 . 2 . 531 . . 28 GLN HB2 . 19353 1 842 . 2 1 28 28 GLN HB3 H 1 2.704 0.014 . 2 . 530 . . 28 GLN HB3 . 19353 1 843 . 2 1 28 28 GLN HG2 H 1 2.314 0.002 . 2 . 772 . . 28 GLN HG2 . 19353 1 844 . 2 1 28 28 GLN HG3 H 1 2.500 0.008 . 2 . 769 . . 28 GLN HG3 . 19353 1 845 . 2 1 28 28 GLN HE21 H 1 7.742 0.003 . 1 . 775 . . 28 GLN HE21 . 19353 1 846 . 2 1 28 28 GLN HE22 H 1 6.871 0.001 . 1 . 778 . . 28 GLN HE22 . 19353 1 847 . 2 1 28 28 GLN C C 13 176.687 0.200 . 1 . 1260 . . 28 GLN C . 19353 1 848 . 2 1 28 28 GLN CA C 13 55.526 0.025 . 1 . 536 . . 28 GLN CA . 19353 1 849 . 2 1 28 28 GLN CB C 13 29.155 0.039 . 1 . 767 . . 28 GLN CB . 19353 1 850 . 2 1 28 28 GLN CG C 13 34.511 0.034 . 1 . 773 . . 28 GLN CG . 19353 1 851 . 2 1 28 28 GLN N N 15 120.953 0.026 . 1 . 414 . . 28 GLN N . 19353 1 852 . 2 1 28 28 GLN NE2 N 15 114.695 0.194 . 1 . 779 . . 28 GLN NE2 . 19353 1 853 . 2 1 29 29 SER H H 1 7.898 0.004 . 1 . 413 . . 29 SER H . 19353 1 854 . 2 1 29 29 SER HA H 1 3.959 0.005 . 1 . 552 . . 29 SER HA . 19353 1 855 . 2 1 29 29 SER HB2 H 1 3.958 0.003 . 2 . 782 . . 29 SER HB2 . 19353 1 856 . 2 1 29 29 SER HB3 H 1 3.956 0.004 . 2 . 783 . . 29 SER HB3 . 19353 1 857 . 2 1 29 29 SER CA C 13 64.841 0.032 . 1 . 551 . . 29 SER CA . 19353 1 858 . 2 1 29 29 SER CB C 13 64.011 0.038 . 1 . 781 . . 29 SER CB . 19353 1 859 . 2 1 29 29 SER N N 15 116.486 0.028 . 1 . 412 . . 29 SER N . 19353 1 860 . 2 1 30 30 ALA HA H 1 4.033 0.006 . 1 . 786 . . 30 ALA HA . 19353 1 861 . 2 1 30 30 ALA HB1 H 1 1.475 0.01 . 1 . 522 . . 30 ALA HB1 . 19353 1 862 . 2 1 30 30 ALA HB2 H 1 1.475 0.01 . 1 . 522 . . 30 ALA HB2 . 19353 1 863 . 2 1 30 30 ALA HB3 H 1 1.475 0.01 . 1 . 522 . . 30 ALA HB3 . 19353 1 864 . 2 1 30 30 ALA C C 13 180.449 0.200 . 1 . 1263 . . 30 ALA C . 19353 1 865 . 2 1 30 30 ALA CA C 13 56.673 0.025 . 1 . 525 . . 30 ALA CA . 19353 1 866 . 2 1 30 30 ALA CB C 13 18.526 0.019 . 1 . 785 . . 30 ALA CB . 19353 1 867 . 2 1 31 31 ASN H H 1 7.960 0.005 . 1 . 302 . . 31 ASN H . 19353 1 868 . 2 1 31 31 ASN HA H 1 4.584 0.005 . 1 . 521 . . 31 ASN HA . 19353 1 869 . 2 1 31 31 ASN HB2 H 1 2.951 0.003 . 2 . 559 . . 31 ASN HB2 . 19353 1 870 . 2 1 31 31 ASN HB3 H 1 2.946 0.006 . 2 . 558 . . 31 ASN HB3 . 19353 1 871 . 2 1 31 31 ASN HD21 H 1 7.049 0.005 . 1 . 793 . . 31 ASN HD21 . 19353 1 872 . 2 1 31 31 ASN HD22 H 1 7.830 0.003 . 1 . 792 . . 31 ASN HD22 . 19353 1 873 . 2 1 31 31 ASN C C 13 177.806 0.200 . 1 . 1265 . . 31 ASN C . 19353 1 874 . 2 1 31 31 ASN CA C 13 56.747 0.018 . 1 . 298 . . 31 ASN CA . 19353 1 875 . 2 1 31 31 ASN CB C 13 38.903 0.016 . 1 . 789 . . 31 ASN CB . 19353 1 876 . 2 1 31 31 ASN N N 15 119.750 0.036 . 1 . 301 . . 31 ASN N . 19353 1 877 . 2 1 31 31 ASN ND2 N 15 113.788 0.215 . 1 . 791 . . 31 ASN ND2 . 19353 1 878 . 2 1 32 32 LEU H H 1 8.734 0.004 . 1 . 294 . . 32 LEU H . 19353 1 879 . 2 1 32 32 LEU HA H 1 4.163 0.01 . 1 . 562 . . 32 LEU HA . 19353 1 880 . 2 1 32 32 LEU HB2 H 1 1.931 0.007 . 2 . 569 . . 32 LEU HB2 . 19353 1 881 . 2 1 32 32 LEU HB3 H 1 1.475 0.004 . 2 . 798 . . 32 LEU HB3 . 19353 1 882 . 2 1 32 32 LEU HG H 1 1.895 0.016 . 1 . 807 . . 32 LEU HG . 19353 1 883 . 2 1 32 32 LEU HD11 H 1 1.032 0.012 . 2 . 806 . . 32 LEU HD11 . 19353 1 884 . 2 1 32 32 LEU HD12 H 1 1.032 0.012 . 2 . 806 . . 32 LEU HD12 . 19353 1 885 . 2 1 32 32 LEU HD13 H 1 1.032 0.012 . 2 . 806 . . 32 LEU HD13 . 19353 1 886 . 2 1 32 32 LEU HD21 H 1 0.734 0.005 . 2 . 809 . . 32 LEU HD21 . 19353 1 887 . 2 1 32 32 LEU HD22 H 1 0.734 0.005 . 2 . 809 . . 32 LEU HD22 . 19353 1 888 . 2 1 32 32 LEU HD23 H 1 0.734 0.005 . 2 . 809 . . 32 LEU HD23 . 19353 1 889 . 2 1 32 32 LEU C C 13 180.663 0.200 . 1 . 1267 . . 32 LEU C . 19353 1 890 . 2 1 32 32 LEU CA C 13 58.634 0.14 . 1 . 297 . . 32 LEU CA . 19353 1 891 . 2 1 32 32 LEU CB C 13 42.902 0.035 . 1 . 797 . . 32 LEU CB . 19353 1 892 . 2 1 32 32 LEU CG C 13 27.895 0.01 . 1 . 808 . . 32 LEU CG . 19353 1 893 . 2 1 32 32 LEU CD1 C 13 23.403 0.013 . 2 . 811 . . 32 LEU CD1 . 19353 1 894 . 2 1 32 32 LEU CD2 C 13 26.926 0.034 . 2 . 810 . . 32 LEU CD2 . 19353 1 895 . 2 1 32 32 LEU N N 15 121.819 0.041 . 1 . 293 . . 32 LEU N . 19353 1 896 . 2 1 33 33 LEU H H 1 8.789 0.005 . 1 . 292 . . 33 LEU H . 19353 1 897 . 2 1 33 33 LEU HA H 1 4.076 0.016 . 1 . 564 . . 33 LEU HA . 19353 1 898 . 2 1 33 33 LEU HB2 H 1 1.386 0.007 . 2 . 803 . . 33 LEU HB2 . 19353 1 899 . 2 1 33 33 LEU HB3 H 1 1.838 0.005 . 2 . 802 . . 33 LEU HB3 . 19353 1 900 . 2 1 33 33 LEU HG H 1 1.222 0.004 . 1 . 800 . . 33 LEU HG . 19353 1 901 . 2 1 33 33 LEU HD11 H 1 0.154 0.004 . 2 . 805 . . 33 LEU HD11 . 19353 1 902 . 2 1 33 33 LEU HD12 H 1 0.154 0.004 . 2 . 805 . . 33 LEU HD12 . 19353 1 903 . 2 1 33 33 LEU HD13 H 1 0.154 0.004 . 2 . 805 . . 33 LEU HD13 . 19353 1 904 . 2 1 33 33 LEU HD21 H 1 0.473 0.004 . 2 . 804 . . 33 LEU HD21 . 19353 1 905 . 2 1 33 33 LEU HD22 H 1 0.473 0.004 . 2 . 804 . . 33 LEU HD22 . 19353 1 906 . 2 1 33 33 LEU HD23 H 1 0.473 0.004 . 2 . 804 . . 33 LEU HD23 . 19353 1 907 . 2 1 33 33 LEU C C 13 177.389 0.200 . 1 . 1269 . . 33 LEU C . 19353 1 908 . 2 1 33 33 LEU CA C 13 58.679 0.164 . 1 . 288 . . 33 LEU CA . 19353 1 909 . 2 1 33 33 LEU CB C 13 42.334 0.037 . 1 . 799 . . 33 LEU CB . 19353 1 910 . 2 1 33 33 LEU CG C 13 27.512 0.052 . 1 . 801 . . 33 LEU CG . 19353 1 911 . 2 1 33 33 LEU CD1 C 13 23.446 0.022 . 2 . 812 . . 33 LEU CD1 . 19353 1 912 . 2 1 33 33 LEU CD2 C 13 26.472 0.023 . 2 . 813 . . 33 LEU CD2 . 19353 1 913 . 2 1 33 33 LEU N N 15 122.613 0.037 . 1 . 291 . . 33 LEU N . 19353 1 914 . 2 1 34 34 ALA H H 1 7.802 0.004 . 1 . 284 . . 34 ALA H . 19353 1 915 . 2 1 34 34 ALA HA H 1 4.021 0.009 . 1 . 833 . . 34 ALA HA . 19353 1 916 . 2 1 34 34 ALA HB1 H 1 1.597 0.007 . 1 . 572 . . 34 ALA HB1 . 19353 1 917 . 2 1 34 34 ALA HB2 H 1 1.597 0.007 . 1 . 572 . . 34 ALA HB2 . 19353 1 918 . 2 1 34 34 ALA HB3 H 1 1.597 0.007 . 1 . 572 . . 34 ALA HB3 . 19353 1 919 . 2 1 34 34 ALA C C 13 181.424 0.200 . 1 . 1271 . . 34 ALA C . 19353 1 920 . 2 1 34 34 ALA CA C 13 56.300 0.018 . 1 . 282 . . 34 ALA CA . 19353 1 921 . 2 1 34 34 ALA CB C 13 18.434 0.034 . 1 . 832 . . 34 ALA CB . 19353 1 922 . 2 1 34 34 ALA N N 15 122.258 0.059 . 1 . 283 . . 34 ALA N . 19353 1 923 . 2 1 35 35 GLU H H 1 8.068 0.003 . 1 . 278 . . 35 GLU H . 19353 1 924 . 2 1 35 35 GLU HA H 1 4.054 0.01 . 1 . 575 . . 35 GLU HA . 19353 1 925 . 2 1 35 35 GLU HB2 H 1 2.146 0.005 . 2 . 576 . . 35 GLU HB2 . 19353 1 926 . 2 1 35 35 GLU HB3 H 1 2.146 0.004 . 2 . 577 . . 35 GLU HB3 . 19353 1 927 . 2 1 35 35 GLU HG2 H 1 2.420 0.01 . 2 . 1131 . . 35 GLU HG2 . 19353 1 928 . 2 1 35 35 GLU HG3 H 1 2.413 0.011 . 2 . 1130 . . 35 GLU HG3 . 19353 1 929 . 2 1 35 35 GLU C C 13 178.755 0.200 . 1 . 1273 . . 35 GLU C . 19353 1 930 . 2 1 35 35 GLU CA C 13 59.743 0.024 . 1 . 275 . . 35 GLU CA . 19353 1 931 . 2 1 35 35 GLU CB C 13 30.265 0.200 . 1 . 836 . . 35 GLU CB . 19353 1 932 . 2 1 35 35 GLU CG C 13 36.790 0.027 . 1 . 1133 . . 35 GLU CG . 19353 1 933 . 2 1 35 35 GLU N N 15 118.315 0.036 . 1 . 277 . . 35 GLU N . 19353 1 934 . 2 1 36 36 ALA H H 1 8.135 0.006 . 1 . 272 . . 36 ALA H . 19353 1 935 . 2 1 36 36 ALA HA H 1 4.191 0.004 . 1 . 581 . . 36 ALA HA . 19353 1 936 . 2 1 36 36 ALA HB1 H 1 0.972 0.006 . 1 . 582 . . 36 ALA HB1 . 19353 1 937 . 2 1 36 36 ALA HB2 H 1 0.972 0.006 . 1 . 582 . . 36 ALA HB2 . 19353 1 938 . 2 1 36 36 ALA HB3 H 1 0.972 0.006 . 1 . 582 . . 36 ALA HB3 . 19353 1 939 . 2 1 36 36 ALA C C 13 179.780 0.200 . 1 . 1275 . . 36 ALA C . 19353 1 940 . 2 1 36 36 ALA CA C 13 55.792 0.013 . 1 . 270 . . 36 ALA CA . 19353 1 941 . 2 1 36 36 ALA CB C 13 17.921 0.053 . 1 . 837 . . 36 ALA CB . 19353 1 942 . 2 1 36 36 ALA N N 15 125.894 0.024 . 1 . 271 . . 36 ALA N . 19353 1 943 . 2 1 37 37 LYS H H 1 8.561 0.006 . 1 . 264 . . 37 LYS H . 19353 1 944 . 2 1 37 37 LYS HA H 1 3.750 0.009 . 1 . 584 . . 37 LYS HA . 19353 1 945 . 2 1 37 37 LYS HB2 H 1 1.812 0.012 . 2 . 593 . . 37 LYS HB2 . 19353 1 946 . 2 1 37 37 LYS HB3 H 1 1.956 0.007 . 2 . 592 . . 37 LYS HB3 . 19353 1 947 . 2 1 37 37 LYS HG2 H 1 1.509 0.005 . 2 . 852 . . 37 LYS HG2 . 19353 1 948 . 2 1 37 37 LYS HG3 H 1 1.397 0.008 . 2 . 851 . . 37 LYS HG3 . 19353 1 949 . 2 1 37 37 LYS HD2 H 1 1.621 0.008 . 2 . 858 . . 37 LYS HD2 . 19353 1 950 . 2 1 37 37 LYS HD3 H 1 1.623 0.006 . 2 . 859 . . 37 LYS HD3 . 19353 1 951 . 2 1 37 37 LYS HE2 H 1 2.949 0.005 . 2 . 856 . . 37 LYS HE2 . 19353 1 952 . 2 1 37 37 LYS HE3 H 1 2.720 0.006 . 2 . 855 . . 37 LYS HE3 . 19353 1 953 . 2 1 37 37 LYS C C 13 179.036 0.200 . 1 . 1277 . . 37 LYS C . 19353 1 954 . 2 1 37 37 LYS CA C 13 60.625 0.016 . 1 . 269 . . 37 LYS CA . 19353 1 955 . 2 1 37 37 LYS CB C 13 33.244 0.027 . 1 . 840 . . 37 LYS CB . 19353 1 956 . 2 1 37 37 LYS CG C 13 26.640 0.031 . 1 . 853 . . 37 LYS CG . 19353 1 957 . 2 1 37 37 LYS CD C 13 30.720 0.02 . 1 . 854 . . 37 LYS CD . 19353 1 958 . 2 1 37 37 LYS CE C 13 42.371 0.073 . 1 . 857 . . 37 LYS CE . 19353 1 959 . 2 1 37 37 LYS N N 15 118.769 0.048 . 1 . 263 . . 37 LYS N . 19353 1 960 . 2 1 38 38 LYS H H 1 7.687 0.005 . 1 . 260 . . 38 LYS H . 19353 1 961 . 2 1 38 38 LYS HA H 1 4.121 0.006 . 1 . 586 . . 38 LYS HA . 19353 1 962 . 2 1 38 38 LYS HB2 H 1 1.944 0.006 . 2 . 588 . . 38 LYS HB2 . 19353 1 963 . 2 1 38 38 LYS HB3 H 1 1.944 0.007 . 2 . 587 . . 38 LYS HB3 . 19353 1 964 . 2 1 38 38 LYS HG2 H 1 1.647 0.005 . 2 . 863 . . 38 LYS HG2 . 19353 1 965 . 2 1 38 38 LYS HG3 H 1 1.445 0.006 . 2 . 864 . . 38 LYS HG3 . 19353 1 966 . 2 1 38 38 LYS HD2 H 1 1.728 0.003 . 2 . 869 . . 38 LYS HD2 . 19353 1 967 . 2 1 38 38 LYS HD3 H 1 1.729 0.002 . 2 . 868 . . 38 LYS HD3 . 19353 1 968 . 2 1 38 38 LYS HE2 H 1 2.965 0.004 . 2 . 874 . . 38 LYS HE2 . 19353 1 969 . 2 1 38 38 LYS HE3 H 1 2.966 0.0 . 2 . 875 . . 38 LYS HE3 . 19353 1 970 . 2 1 38 38 LYS C C 13 179.603 0.200 . 1 . 1279 . . 38 LYS C . 19353 1 971 . 2 1 38 38 LYS CA C 13 60.429 0.029 . 1 . 258 . . 38 LYS CA . 19353 1 972 . 2 1 38 38 LYS CB C 13 33.173 0.029 . 1 . 860 . . 38 LYS CB . 19353 1 973 . 2 1 38 38 LYS CG C 13 25.847 0.015 . 1 . 867 . . 38 LYS CG . 19353 1 974 . 2 1 38 38 LYS CD C 13 30.327 0.022 . 1 . 873 . . 38 LYS CD . 19353 1 975 . 2 1 38 38 LYS CE C 13 42.690 0.008 . 1 . 879 . . 38 LYS CE . 19353 1 976 . 2 1 38 38 LYS N N 15 120.845 0.025 . 1 . 259 . . 38 LYS N . 19353 1 977 . 2 1 39 39 LEU H H 1 7.960 0.005 . 1 . 252 . . 39 LEU H . 19353 1 978 . 2 1 39 39 LEU HA H 1 4.135 0.009 . 1 . 596 . . 39 LEU HA . 19353 1 979 . 2 1 39 39 LEU HB2 H 1 1.552 0.017 . 2 . 599 . . 39 LEU HB2 . 19353 1 980 . 2 1 39 39 LEU HB3 H 1 1.858 0.019 . 2 . 889 . . 39 LEU HB3 . 19353 1 981 . 2 1 39 39 LEU HG H 1 1.330 0.008 . 1 . 894 . . 39 LEU HG . 19353 1 982 . 2 1 39 39 LEU HD11 H 1 0.860 0.005 . 2 . 891 . . 39 LEU HD11 . 19353 1 983 . 2 1 39 39 LEU HD12 H 1 0.860 0.005 . 2 . 891 . . 39 LEU HD12 . 19353 1 984 . 2 1 39 39 LEU HD13 H 1 0.860 0.005 . 2 . 891 . . 39 LEU HD13 . 19353 1 985 . 2 1 39 39 LEU HD21 H 1 0.813 0.017 . 2 . 892 . . 39 LEU HD21 . 19353 1 986 . 2 1 39 39 LEU HD22 H 1 0.813 0.017 . 2 . 892 . . 39 LEU HD22 . 19353 1 987 . 2 1 39 39 LEU HD23 H 1 0.813 0.017 . 2 . 892 . . 39 LEU HD23 . 19353 1 988 . 2 1 39 39 LEU C C 13 177.821 0.200 . 1 . 1281 . . 39 LEU C . 19353 1 989 . 2 1 39 39 LEU CA C 13 58.315 0.004 . 1 . 257 . . 39 LEU CA . 19353 1 990 . 2 1 39 39 LEU CB C 13 42.598 0.056 . 1 . 888 . . 39 LEU CB . 19353 1 991 . 2 1 39 39 LEU CG C 13 27.346 0.03 . 1 . 890 . . 39 LEU CG . 19353 1 992 . 2 1 39 39 LEU CD1 C 13 23.692 0.031 . 2 . 895 . . 39 LEU CD1 . 19353 1 993 . 2 1 39 39 LEU CD2 C 13 25.784 0.073 . 2 . 893 . . 39 LEU CD2 . 19353 1 994 . 2 1 39 39 LEU N N 15 123.809 0.032 . 1 . 251 . . 39 LEU N . 19353 1 995 . 2 1 40 40 ASN H H 1 8.543 0.009 . 1 . 248 . . 40 ASN H . 19353 1 996 . 2 1 40 40 ASN HA H 1 3.858 0.007 . 1 . 600 . . 40 ASN HA . 19353 1 997 . 2 1 40 40 ASN HB2 H 1 3.125 0.005 . 2 . 896 . . 40 ASN HB2 . 19353 1 998 . 2 1 40 40 ASN HB3 H 1 2.433 0.008 . 2 . 602 . . 40 ASN HB3 . 19353 1 999 . 2 1 40 40 ASN HD21 H 1 6.806 0.006 . 1 . 1142 . . 40 ASN HD21 . 19353 1 1000 . 2 1 40 40 ASN HD22 H 1 7.942 0.009 . 1 . 1293 . . 40 ASN HD22 . 19353 1 1001 . 2 1 40 40 ASN C C 13 177.852 0.200 . 1 . 1283 . . 40 ASN C . 19353 1 1002 . 2 1 40 40 ASN CA C 13 58.749 0.032 . 1 . 245 . . 40 ASN CA . 19353 1 1003 . 2 1 40 40 ASN CB C 13 41.705 0.023 . 1 . 897 . . 40 ASN CB . 19353 1 1004 . 2 1 40 40 ASN N N 15 117.609 0.036 . 1 . 247 . . 40 ASN N . 19353 1 1005 . 2 1 40 40 ASN ND2 N 15 115.726 0.084 . 1 . 1314 . . 40 ASN ND2 . 19353 1 1006 . 2 1 41 41 ASP H H 1 8.332 0.006 . 1 . 242 . . 41 ASP H . 19353 1 1007 . 2 1 41 41 ASP HA H 1 4.499 0.01 . 1 . 606 . . 41 ASP HA . 19353 1 1008 . 2 1 41 41 ASP HB2 H 1 2.771 0.012 . 2 . 608 . . 41 ASP HB2 . 19353 1 1009 . 2 1 41 41 ASP HB3 H 1 2.781 0.008 . 2 . 607 . . 41 ASP HB3 . 19353 1 1010 . 2 1 41 41 ASP C C 13 178.878 0.200 . 1 . 1285 . . 41 ASP C . 19353 1 1011 . 2 1 41 41 ASP CA C 13 57.698 0.022 . 1 . 237 . . 41 ASP CA . 19353 1 1012 . 2 1 41 41 ASP CB C 13 40.802 0.053 . 1 . 900 . . 41 ASP CB . 19353 1 1013 . 2 1 41 41 ASP N N 15 120.202 0.034 . 1 . 241 . . 41 ASP N . 19353 1 1014 . 2 1 42 42 ALA H H 1 8.129 0.005 . 1 . 236 . . 42 ALA H . 19353 1 1015 . 2 1 42 42 ALA HA H 1 4.262 0.007 . 1 . 612 . . 42 ALA HA . 19353 1 1016 . 2 1 42 42 ALA HB1 H 1 1.605 0.014 . 1 . 613 . . 42 ALA HB1 . 19353 1 1017 . 2 1 42 42 ALA HB2 H 1 1.605 0.014 . 1 . 613 . . 42 ALA HB2 . 19353 1 1018 . 2 1 42 42 ALA HB3 H 1 1.605 0.014 . 1 . 613 . . 42 ALA HB3 . 19353 1 1019 . 2 1 42 42 ALA C C 13 179.298 0.200 . 1 . 1287 . . 42 ALA C . 19353 1 1020 . 2 1 42 42 ALA CA C 13 55.023 0.02 . 1 . 234 . . 42 ALA CA . 19353 1 1021 . 2 1 42 42 ALA CB C 13 19.121 0.034 . 1 . 903 . . 42 ALA CB . 19353 1 1022 . 2 1 42 42 ALA N N 15 123.828 0.037 . 1 . 235 . . 42 ALA N . 19353 1 1023 . 2 1 43 43 GLN H H 1 7.475 0.005 . 1 . 230 . . 43 GLN H . 19353 1 1024 . 2 1 43 43 GLN HA H 1 4.427 0.006 . 1 . 616 . . 43 GLN HA . 19353 1 1025 . 2 1 43 43 GLN HB2 H 1 1.717 0.012 . 2 . 905 . . 43 GLN HB2 . 19353 1 1026 . 2 1 43 43 GLN HB3 H 1 2.527 0.01 . 2 . 617 . . 43 GLN HB3 . 19353 1 1027 . 2 1 43 43 GLN HG2 H 1 2.325 0.01 . 2 . 910 . . 43 GLN HG2 . 19353 1 1028 . 2 1 43 43 GLN HG3 H 1 2.645 0.005 . 2 . 909 . . 43 GLN HG3 . 19353 1 1029 . 2 1 43 43 GLN HE21 H 1 8.663 0.006 . 1 . 1080 . . 43 GLN HE21 . 19353 1 1030 . 2 1 43 43 GLN HE22 H 1 7.108 0.007 . 1 . 1138 . . 43 GLN HE22 . 19353 1 1031 . 2 1 43 43 GLN C C 13 174.072 0.200 . 1 . 1289 . . 43 GLN C . 19353 1 1032 . 2 1 43 43 GLN CA C 13 55.712 0.038 . 1 . 228 . . 43 GLN CA . 19353 1 1033 . 2 1 43 43 GLN CB C 13 29.053 0.048 . 1 . 906 . . 43 GLN CB . 19353 1 1034 . 2 1 43 43 GLN CG C 13 36.415 0.031 . 1 . 913 . . 43 GLN CG . 19353 1 1035 . 2 1 43 43 GLN N N 15 115.522 0.03 . 1 . 229 . . 43 GLN N . 19353 1 1036 . 2 1 43 43 GLN NE2 N 15 112.158 0.034 . 1 . 1308 . . 43 GLN NE2 . 19353 1 1037 . 2 1 44 44 ALA H H 1 7.179 0.003 . 1 . 224 . . 44 ALA H . 19353 1 1038 . 2 1 44 44 ALA HA H 1 4.387 0.013 . 1 . 627 . . 44 ALA HA . 19353 1 1039 . 2 1 44 44 ALA HB1 H 1 1.489 0.007 . 1 . 629 . . 44 ALA HB1 . 19353 1 1040 . 2 1 44 44 ALA HB2 H 1 1.489 0.007 . 1 . 629 . . 44 ALA HB2 . 19353 1 1041 . 2 1 44 44 ALA HB3 H 1 1.489 0.007 . 1 . 629 . . 44 ALA HB3 . 19353 1 1042 . 2 1 44 44 ALA CA C 13 51.775 0.025 . 1 . 227 . . 44 ALA CA . 19353 1 1043 . 2 1 44 44 ALA CB C 13 18.685 0.022 . 1 . 914 . . 44 ALA CB . 19353 1 1044 . 2 1 44 44 ALA N N 15 124.921 0.071 . 1 . 223 . . 44 ALA N . 19353 1 1045 . 2 1 45 45 PRO HA H 1 4.471 0.005 . 1 . 621 . . 45 PRO HA . 19353 1 1046 . 2 1 45 45 PRO HB2 H 1 1.997 0.014 . 2 . 625 . . 45 PRO HB2 . 19353 1 1047 . 2 1 45 45 PRO HB3 H 1 2.351 0.004 . 2 . 623 . . 45 PRO HB3 . 19353 1 1048 . 2 1 45 45 PRO HG2 H 1 2.107 0.005 . 2 . 918 . . 45 PRO HG2 . 19353 1 1049 . 2 1 45 45 PRO HG3 H 1 2.120 0.01 . 2 . 921 . . 45 PRO HG3 . 19353 1 1050 . 2 1 45 45 PRO HD2 H 1 3.848 0.003 . 2 . 925 . . 45 PRO HD2 . 19353 1 1051 . 2 1 45 45 PRO HD3 H 1 3.675 0.004 . 2 . 926 . . 45 PRO HD3 . 19353 1 1052 . 2 1 45 45 PRO C C 13 176.110 0.200 . 1 . 1292 . . 45 PRO C . 19353 1 1053 . 2 1 45 45 PRO CA C 13 64.068 0.012 . 1 . 219 . . 45 PRO CA . 19353 1 1054 . 2 1 45 45 PRO CB C 13 32.723 0.15 . 1 . 917 . . 45 PRO CB . 19353 1 1055 . 2 1 45 45 PRO CG C 13 28.220 0.01 . 1 . 922 . . 45 PRO CG . 19353 1 1056 . 2 1 45 45 PRO CD C 13 51.256 0.008 . 1 . 929 . . 45 PRO CD . 19353 1 1057 . 2 1 46 46 LYS H H 1 8.069 0.003 . 1 . 214 . . 46 LYS H . 19353 1 1058 . 2 1 46 46 LYS HA H 1 4.229 0.001 . 1 . 631 . . 46 LYS HA . 19353 1 1059 . 2 1 46 46 LYS HB2 H 1 1.747 0.001 . 2 . 635 . . 46 LYS HB2 . 19353 1 1060 . 2 1 46 46 LYS HB3 H 1 1.905 0.001 . 2 . 634 . . 46 LYS HB3 . 19353 1 1061 . 2 1 46 46 LYS HG2 H 1 1.480 0.001 . 1 . 934 . . 46 LYS HG2 . 19353 1 1062 . 2 1 46 46 LYS HG3 H 1 1.480 0.001 . 1 . 935 . . 46 LYS HG3 . 19353 1 1063 . 2 1 46 46 LYS HD2 H 1 1.727 0.050 . 1 . 941 . . 46 LYS HD2 . 19353 1 1064 . 2 1 46 46 LYS HD3 H 1 1.727 0.050 . 1 . 940 . . 46 LYS HD3 . 19353 1 1065 . 2 1 46 46 LYS HE2 H 1 3.074 0.050 . 1 . 947 . . 46 LYS HE2 . 19353 1 1066 . 2 1 46 46 LYS HE3 H 1 3.074 0.050 . 1 . 946 . . 46 LYS HE3 . 19353 1 1067 . 2 1 46 46 LYS CA C 13 58.148 0.009 . 1 . 218 . . 46 LYS CA . 19353 1 1068 . 2 1 46 46 LYS CB C 13 34.624 0.003 . 1 . 930 . . 46 LYS CB . 19353 1 1069 . 2 1 46 46 LYS CG C 13 25.433 0.024 . 1 . 936 . . 46 LYS CG . 19353 1 1070 . 2 1 46 46 LYS CD C 13 29.797 0.200 . 1 . 939 . . 46 LYS CD . 19353 1 1071 . 2 1 46 46 LYS CE C 13 43.133 0.200 . 1 . 945 . . 46 LYS CE . 19353 1 1072 . 2 1 46 46 LYS N N 15 127.908 0.019 . 1 . 213 . . 46 LYS N . 19353 1 1073 . 3 2 1 1 GLU C C 13 176.543 0.200 . 1 . 1298 . . 1 GLU C . 19353 1 1074 . 3 2 1 1 GLU CA C 13 56.615 0.200 . 1 . 1299 . . 1 GLU CA . 19353 1 1075 . 3 2 2 2 GLY H H 1 8.523 0.008 . 1 . 1295 . . 2 GLY H . 19353 1 1076 . 3 2 2 2 GLY HA2 H 1 4.079 0.006 . 2 . 1297 . . 2 GLY HA2 . 19353 1 1077 . 3 2 2 2 GLY HA3 H 1 4.202 0.004 . 2 . 1296 . . 2 GLY HA3 . 19353 1 1078 . 3 2 2 2 GLY C C 13 173.455 0.200 . 1 . 424 . . 2 GLY C . 19353 1 1079 . 3 2 2 2 GLY CA C 13 45.330 0.015 . 1 . 136 . . 2 GLY CA . 19353 1 1080 . 3 2 2 2 GLY N N 15 109.280 0.008 . 1 . 1294 . . 2 GLY N . 19353 1 1081 . 3 2 3 3 VAL H H 1 8.006 0.01 . 1 . 119 . . 3 VAL H . 19353 1 1082 . 3 2 3 3 VAL HA H 1 5.184 0.006 . 1 . 957 . . 3 VAL HA . 19353 1 1083 . 3 2 3 3 VAL HB H 1 2.218 0.003 . 1 . 972 . . 3 VAL HB . 19353 1 1084 . 3 2 3 3 VAL HG11 H 1 1.007 0.006 . 2 . 973 . . 3 VAL HG11 . 19353 1 1085 . 3 2 3 3 VAL HG12 H 1 1.007 0.006 . 2 . 973 . . 3 VAL HG12 . 19353 1 1086 . 3 2 3 3 VAL HG13 H 1 1.007 0.006 . 2 . 973 . . 3 VAL HG13 . 19353 1 1087 . 3 2 3 3 VAL HG21 H 1 0.936 0.007 . 2 . 974 . . 3 VAL HG21 . 19353 1 1088 . 3 2 3 3 VAL HG22 H 1 0.936 0.007 . 2 . 974 . . 3 VAL HG22 . 19353 1 1089 . 3 2 3 3 VAL HG23 H 1 0.936 0.007 . 2 . 974 . . 3 VAL HG23 . 19353 1 1090 . 3 2 3 3 VAL C C 13 175.058 0.200 . 1 . 425 . . 3 VAL C . 19353 1 1091 . 3 2 3 3 VAL CA C 13 60.249 0.018 . 1 . 135 . . 3 VAL CA . 19353 1 1092 . 3 2 3 3 VAL CB C 13 35.197 0.02 . 1 . 971 . . 3 VAL CB . 19353 1 1093 . 3 2 3 3 VAL CG1 C 13 22.431 0.011 . 2 . 976 . . 3 VAL CG1 . 19353 1 1094 . 3 2 3 3 VAL CG2 C 13 20.204 0.017 . 2 . 975 . . 3 VAL CG2 . 19353 1 1095 . 3 2 3 3 VAL N N 15 114.826 0.023 . 1 . 118 . . 3 VAL N . 19353 1 1096 . 3 2 4 4 LEU H H 1 9.115 0.005 . 1 . 36 . . 4 LEU H . 19353 1 1097 . 3 2 4 4 LEU HA H 1 4.975 0.011 . 1 . 959 . . 4 LEU HA . 19353 1 1098 . 3 2 4 4 LEU HB2 H 1 1.740 0.008 . 2 . 979 . . 4 LEU HB2 . 19353 1 1099 . 3 2 4 4 LEU HB3 H 1 1.914 0.004 . 2 . 977 . . 4 LEU HB3 . 19353 1 1100 . 3 2 4 4 LEU HG H 1 1.758 0.01 . 1 . 981 . . 4 LEU HG . 19353 1 1101 . 3 2 4 4 LEU HD11 H 1 0.920 0.007 . 2 . 983 . . 4 LEU HD11 . 19353 1 1102 . 3 2 4 4 LEU HD12 H 1 0.920 0.007 . 2 . 983 . . 4 LEU HD12 . 19353 1 1103 . 3 2 4 4 LEU HD13 H 1 0.920 0.007 . 2 . 983 . . 4 LEU HD13 . 19353 1 1104 . 3 2 4 4 LEU HD21 H 1 0.962 0.012 . 2 . 985 . . 4 LEU HD21 . 19353 1 1105 . 3 2 4 4 LEU HD22 H 1 0.962 0.012 . 2 . 985 . . 4 LEU HD22 . 19353 1 1106 . 3 2 4 4 LEU HD23 H 1 0.962 0.012 . 2 . 985 . . 4 LEU HD23 . 19353 1 1107 . 3 2 4 4 LEU C C 13 175.966 0.200 . 1 . 426 . . 4 LEU C . 19353 1 1108 . 3 2 4 4 LEU CA C 13 54.145 0.02 . 1 . 134 . . 4 LEU CA . 19353 1 1109 . 3 2 4 4 LEU CB C 13 46.200 0.021 . 1 . 978 . . 4 LEU CB . 19353 1 1110 . 3 2 4 4 LEU CG C 13 27.069 0.027 . 1 . 980 . . 4 LEU CG . 19353 1 1111 . 3 2 4 4 LEU CD1 C 13 26.473 0.018 . 2 . 982 . . 4 LEU CD1 . 19353 1 1112 . 3 2 4 4 LEU CD2 C 13 25.363 0.023 . 2 . 984 . . 4 LEU CD2 . 19353 1 1113 . 3 2 4 4 LEU N N 15 123.048 0.009 . 1 . 35 . . 4 LEU N . 19353 1 1114 . 3 2 5 5 TYR H H 1 8.702 0.006 . 1 . 87 . . 5 TYR H . 19353 1 1115 . 3 2 5 5 TYR HA H 1 4.805 0.005 . 1 . 986 . . 5 TYR HA . 19353 1 1116 . 3 2 5 5 TYR HB2 H 1 2.514 0.009 . 2 . 988 . . 5 TYR HB2 . 19353 1 1117 . 3 2 5 5 TYR HB3 H 1 2.689 0.01 . 2 . 987 . . 5 TYR HB3 . 19353 1 1118 . 3 2 5 5 TYR HD1 H 1 7.026 0.01 . 3 . 1322 . . 5 TYR HD1 . 19353 1 1119 . 3 2 5 5 TYR HD2 H 1 7.026 0.01 . 3 . 1322 . . 5 TYR HD2 . 19353 1 1120 . 3 2 5 5 TYR HH H 1 12.534 0.003 . 1 . 1317 . . 5 TYR HH . 19353 1 1121 . 3 2 5 5 TYR C C 13 174.008 0.200 . 1 . 427 . . 5 TYR C . 19353 1 1122 . 3 2 5 5 TYR CA C 13 60.329 0.032 . 1 . 137 . . 5 TYR CA . 19353 1 1123 . 3 2 5 5 TYR CB C 13 38.535 0.051 . 1 . 989 . . 5 TYR CB . 19353 1 1124 . 3 2 5 5 TYR N N 15 122.116 0.023 . 1 . 86 . . 5 TYR N . 19353 1 1125 . 3 2 6 6 VAL H H 1 7.027 0.008 . 1 . 14 . . 6 VAL H . 19353 1 1126 . 3 2 6 6 VAL HA H 1 3.946 0.007 . 1 . 956 . . 6 VAL HA . 19353 1 1127 . 3 2 6 6 VAL HB H 1 1.338 0.008 . 1 . 990 . . 6 VAL HB . 19353 1 1128 . 3 2 6 6 VAL HG11 H 1 0.294 0.003 . 2 . 992 . . 6 VAL HG11 . 19353 1 1129 . 3 2 6 6 VAL HG12 H 1 0.294 0.003 . 2 . 992 . . 6 VAL HG12 . 19353 1 1130 . 3 2 6 6 VAL HG13 H 1 0.294 0.003 . 2 . 992 . . 6 VAL HG13 . 19353 1 1131 . 3 2 6 6 VAL HG21 H 1 0.169 0.006 . 2 . 993 . . 6 VAL HG21 . 19353 1 1132 . 3 2 6 6 VAL HG22 H 1 0.169 0.006 . 2 . 993 . . 6 VAL HG22 . 19353 1 1133 . 3 2 6 6 VAL HG23 H 1 0.169 0.006 . 2 . 993 . . 6 VAL HG23 . 19353 1 1134 . 3 2 6 6 VAL C C 13 178.774 0.200 . 1 . 428 . . 6 VAL C . 19353 1 1135 . 3 2 6 6 VAL CA C 13 59.733 0.027 . 1 . 147 . . 6 VAL CA . 19353 1 1136 . 3 2 6 6 VAL CB C 13 34.634 0.013 . 1 . 991 . . 6 VAL CB . 19353 1 1137 . 3 2 6 6 VAL CG1 C 13 21.132 0.018 . 2 . 995 . . 6 VAL CG1 . 19353 1 1138 . 3 2 6 6 VAL CG2 C 13 21.962 0.013 . 2 . 994 . . 6 VAL CG2 . 19353 1 1139 . 3 2 6 6 VAL N N 15 128.532 0.017 . 1 . 13 . . 6 VAL N . 19353 1 1140 . 3 2 7 7 GLY H H 1 7.715 0.005 . 1 . 58 . . 7 GLY H . 19353 1 1141 . 3 2 7 7 GLY HA2 H 1 4.828 0.01 . 2 . 997 . . 7 GLY HA2 . 19353 1 1142 . 3 2 7 7 GLY HA3 H 1 3.026 0.007 . 2 . 996 . . 7 GLY HA3 . 19353 1 1143 . 3 2 7 7 GLY C C 13 172.782 0.200 . 1 . 429 . . 7 GLY C . 19353 1 1144 . 3 2 7 7 GLY CA C 13 43.698 0.043 . 1 . 132 . . 7 GLY CA . 19353 1 1145 . 3 2 7 7 GLY N N 15 111.430 0.022 . 1 . 57 . . 7 GLY N . 19353 1 1146 . 3 2 8 8 SER H H 1 8.492 0.007 . 1 . 1003 . . 8 SER H . 19353 1 1147 . 3 2 8 8 SER HA H 1 5.235 0.009 . 1 . 960 . . 8 SER HA . 19353 1 1148 . 3 2 8 8 SER HB2 H 1 3.351 0.004 . 2 . 1000 . . 8 SER HB2 . 19353 1 1149 . 3 2 8 8 SER HB3 H 1 3.564 0.006 . 2 . 999 . . 8 SER HB3 . 19353 1 1150 . 3 2 8 8 SER C C 13 175.005 0.200 . 1 . 430 . . 8 SER C . 19353 1 1151 . 3 2 8 8 SER CA C 13 55.775 0.062 . 1 . 129 . . 8 SER CA . 19353 1 1152 . 3 2 8 8 SER CB C 13 65.009 0.013 . 1 . 1001 . . 8 SER CB . 19353 1 1153 . 3 2 8 8 SER N N 15 111.513 0.024 . 1 . 998 . . 8 SER N . 19353 1 1154 . 3 2 9 9 LYS H H 1 9.189 0.007 . 1 . 59 . . 9 LYS H . 19353 1 1155 . 3 2 9 9 LYS HA H 1 4.968 0.011 . 1 . 961 . . 9 LYS HA . 19353 1 1156 . 3 2 9 9 LYS HB2 H 1 2.188 0.009 . 2 . 1004 . . 9 LYS HB2 . 19353 1 1157 . 3 2 9 9 LYS HB3 H 1 1.755 0.004 . 2 . 1005 . . 9 LYS HB3 . 19353 1 1158 . 3 2 9 9 LYS HG2 H 1 1.472 0.01 . 2 . 1009 . . 9 LYS HG2 . 19353 1 1159 . 3 2 9 9 LYS HG3 H 1 1.471 0.015 . 2 . 1008 . . 9 LYS HG3 . 19353 1 1160 . 3 2 9 9 LYS HD2 H 1 1.800 0.008 . 2 . 1012 . . 9 LYS HD2 . 19353 1 1161 . 3 2 9 9 LYS HD3 H 1 1.552 0.004 . 2 . 1011 . . 9 LYS HD3 . 19353 1 1162 . 3 2 9 9 LYS HE2 H 1 2.932 0.015 . 2 . 1013 . . 9 LYS HE2 . 19353 1 1163 . 3 2 9 9 LYS HE3 H 1 2.923 0.018 . 2 . 1014 . . 9 LYS HE3 . 19353 1 1164 . 3 2 9 9 LYS C C 13 176.089 0.200 . 1 . 431 . . 9 LYS C . 19353 1 1165 . 3 2 9 9 LYS CA C 13 55.828 0.025 . 1 . 128 . . 9 LYS CA . 19353 1 1166 . 3 2 9 9 LYS CB C 13 33.971 0.022 . 1 . 1006 . . 9 LYS CB . 19353 1 1167 . 3 2 9 9 LYS CG C 13 24.866 0.012 . 1 . 1007 . . 9 LYS CG . 19353 1 1168 . 3 2 9 9 LYS CD C 13 29.517 0.036 . 1 . 1010 . . 9 LYS CD . 19353 1 1169 . 3 2 9 9 LYS CE C 13 42.097 0.183 . 1 . 1015 . . 9 LYS CE . 19353 1 1170 . 3 2 9 9 LYS N N 15 128.183 0.03 . 1 . 1002 . . 9 LYS N . 19353 1 1171 . 3 2 10 10 THR H H 1 8.597 0.007 . 1 . 32 . . 10 THR H . 19353 1 1172 . 3 2 10 10 THR HA H 1 4.878 0.009 . 1 . 962 . . 10 THR HA . 19353 1 1173 . 3 2 10 10 THR HB H 1 4.618 0.005 . 1 . 1018 . . 10 THR HB . 19353 1 1174 . 3 2 10 10 THR HG21 H 1 1.096 0.004 . 1 . 1016 . . 10 THR HG21 . 19353 1 1175 . 3 2 10 10 THR HG22 H 1 1.096 0.004 . 1 . 1016 . . 10 THR HG22 . 19353 1 1176 . 3 2 10 10 THR HG23 H 1 1.096 0.004 . 1 . 1016 . . 10 THR HG23 . 19353 1 1177 . 3 2 10 10 THR CA C 13 60.168 0.064 . 1 . 131 . . 10 THR CA . 19353 1 1178 . 3 2 10 10 THR CB C 13 72.219 0.200 . 1 . 1017 . . 10 THR CB . 19353 1 1179 . 3 2 10 10 THR CG2 C 13 21.818 0.02 . 1 . 1019 . . 10 THR CG2 . 19353 1 1180 . 3 2 10 10 THR N N 15 119.865 0.022 . 1 . 31 . . 10 THR N . 19353 1 1181 . 3 2 11 11 LYS HA H 1 4.784 0.050 . 1 . 1073 . . 11 LYS HA . 19353 1 1182 . 3 2 11 11 LYS C C 13 178.079 0.200 . 1 . 432 . . 11 LYS C . 19353 1 1183 . 3 2 12 12 GLU H H 1 8.023 0.007 . 1 . 48 . . 12 GLU H . 19353 1 1184 . 3 2 12 12 GLU HA H 1 4.370 0.008 . 1 . 958 . . 12 GLU HA . 19353 1 1185 . 3 2 12 12 GLU HB2 H 1 2.128 0.006 . 2 . 1024 . . 12 GLU HB2 . 19353 1 1186 . 3 2 12 12 GLU HB3 H 1 1.816 0.003 . 2 . 1023 . . 12 GLU HB3 . 19353 1 1187 . 3 2 12 12 GLU HG2 H 1 2.200 0.002 . 2 . 1026 . . 12 GLU HG2 . 19353 1 1188 . 3 2 12 12 GLU HG3 H 1 2.287 0.002 . 2 . 1025 . . 12 GLU HG3 . 19353 1 1189 . 3 2 12 12 GLU C C 13 176.515 0.200 . 1 . 433 . . 12 GLU C . 19353 1 1190 . 3 2 12 12 GLU CA C 13 57.024 0.016 . 1 . 140 . . 12 GLU CA . 19353 1 1191 . 3 2 12 12 GLU CB C 13 30.527 0.02 . 1 . 1022 . . 12 GLU CB . 19353 1 1192 . 3 2 12 12 GLU CG C 13 36.943 0.028 . 1 . 1027 . . 12 GLU CG . 19353 1 1193 . 3 2 12 12 GLU N N 15 115.184 0.026 . 1 . 1020 . . 12 GLU N . 19353 1 1194 . 3 2 13 13 GLY H H 1 7.495 0.006 . 1 . 1021 . . 13 GLY H . 19353 1 1195 . 3 2 13 13 GLY HA2 H 1 4.370 0.008 . 2 . 963 . . 13 GLY HA2 . 19353 1 1196 . 3 2 13 13 GLY HA3 H 1 3.936 0.003 . 2 . 1029 . . 13 GLY HA3 . 19353 1 1197 . 3 2 13 13 GLY C C 13 172.669 0.200 . 1 . 434 . . 13 GLY C . 19353 1 1198 . 3 2 13 13 GLY CA C 13 45.667 0.006 . 1 . 138 . . 13 GLY CA . 19353 1 1199 . 3 2 13 13 GLY N N 15 107.833 0.014 . 1 . 1028 . . 13 GLY N . 19353 1 1200 . 3 2 14 14 VAL H H 1 8.330 0.007 . 1 . 91 . . 14 VAL H . 19353 1 1201 . 3 2 14 14 VAL HA H 1 5.001 0.011 . 1 . 964 . . 14 VAL HA . 19353 1 1202 . 3 2 14 14 VAL HB H 1 1.804 0.003 . 1 . 1031 . . 14 VAL HB . 19353 1 1203 . 3 2 14 14 VAL HG11 H 1 1.034 0.005 . 2 . 1033 . . 14 VAL HG11 . 19353 1 1204 . 3 2 14 14 VAL HG12 H 1 1.034 0.005 . 2 . 1033 . . 14 VAL HG12 . 19353 1 1205 . 3 2 14 14 VAL HG13 H 1 1.034 0.005 . 2 . 1033 . . 14 VAL HG13 . 19353 1 1206 . 3 2 14 14 VAL HG21 H 1 0.936 0.005 . 2 . 1032 . . 14 VAL HG21 . 19353 1 1207 . 3 2 14 14 VAL HG22 H 1 0.936 0.005 . 2 . 1032 . . 14 VAL HG22 . 19353 1 1208 . 3 2 14 14 VAL HG23 H 1 0.936 0.005 . 2 . 1032 . . 14 VAL HG23 . 19353 1 1209 . 3 2 14 14 VAL C C 13 174.749 0.200 . 1 . 435 . . 14 VAL C . 19353 1 1210 . 3 2 14 14 VAL CA C 13 61.224 0.032 . 1 . 144 . . 14 VAL CA . 19353 1 1211 . 3 2 14 14 VAL CB C 13 35.229 0.029 . 1 . 1030 . . 14 VAL CB . 19353 1 1212 . 3 2 14 14 VAL CG1 C 13 22.394 0.014 . 2 . 1035 . . 14 VAL CG1 . 19353 1 1213 . 3 2 14 14 VAL CG2 C 13 22.567 0.02 . 2 . 1034 . . 14 VAL CG2 . 19353 1 1214 . 3 2 14 14 VAL N N 15 122.094 0.01 . 1 . 90 . . 14 VAL N . 19353 1 1215 . 3 2 15 15 VAL H H 1 8.948 0.007 . 1 . 22 . . 15 VAL H . 19353 1 1216 . 3 2 15 15 VAL HA H 1 4.069 0.004 . 1 . 965 . . 15 VAL HA . 19353 1 1217 . 3 2 15 15 VAL HB H 1 1.675 0.007 . 1 . 1037 . . 15 VAL HB . 19353 1 1218 . 3 2 15 15 VAL HG11 H 1 0.821 0.008 . 2 . 1038 . . 15 VAL HG11 . 19353 1 1219 . 3 2 15 15 VAL HG12 H 1 0.821 0.008 . 2 . 1038 . . 15 VAL HG12 . 19353 1 1220 . 3 2 15 15 VAL HG13 H 1 0.821 0.008 . 2 . 1038 . . 15 VAL HG13 . 19353 1 1221 . 3 2 15 15 VAL HG21 H 1 0.827 0.007 . 2 . 1039 . . 15 VAL HG21 . 19353 1 1222 . 3 2 15 15 VAL HG22 H 1 0.827 0.007 . 2 . 1039 . . 15 VAL HG22 . 19353 1 1223 . 3 2 15 15 VAL HG23 H 1 0.827 0.007 . 2 . 1039 . . 15 VAL HG23 . 19353 1 1224 . 3 2 15 15 VAL C C 13 174.052 0.200 . 1 . 436 . . 15 VAL C . 19353 1 1225 . 3 2 15 15 VAL CA C 13 61.227 0.013 . 1 . 127 . . 15 VAL CA . 19353 1 1226 . 3 2 15 15 VAL CB C 13 34.081 0.011 . 1 . 1036 . . 15 VAL CB . 19353 1 1227 . 3 2 15 15 VAL CG1 C 13 21.611 0.200 . 2 . 1041 . . 15 VAL CG1 . 19353 1 1228 . 3 2 15 15 VAL CG2 C 13 21.617 0.027 . 2 . 1040 . . 15 VAL CG2 . 19353 1 1229 . 3 2 15 15 VAL N N 15 127.444 0.038 . 1 . 21 . . 15 VAL N . 19353 1 1230 . 3 2 16 16 HIS H H 1 8.485 0.007 . 1 . 56 . . 16 HIS H . 19353 1 1231 . 3 2 16 16 HIS HA H 1 5.187 0.006 . 1 . 1042 . . 16 HIS HA . 19353 1 1232 . 3 2 16 16 HIS HB2 H 1 3.157 0.031 . 2 . 1043 . . 16 HIS HB2 . 19353 1 1233 . 3 2 16 16 HIS HB3 H 1 3.081 0.006 . 2 . 1044 . . 16 HIS HB3 . 19353 1 1234 . 3 2 16 16 HIS HD2 H 1 7.040 0.008 . 1 . 1074 . . 16 HIS HD2 . 19353 1 1235 . 3 2 16 16 HIS HE1 H 1 7.371 0.009 . 1 . 1079 . . 16 HIS HE1 . 19353 1 1236 . 3 2 16 16 HIS HE2 H 1 11.879 0.016 . 1 . 1097 . . 16 HIS HE2 . 19353 1 1237 . 3 2 16 16 HIS C C 13 176.034 0.200 . 1 . 437 . . 16 HIS C . 19353 1 1238 . 3 2 16 16 HIS CA C 13 55.960 0.028 . 1 . 126 . . 16 HIS CA . 19353 1 1239 . 3 2 16 16 HIS CB C 13 33.898 0.02 . 1 . 1045 . . 16 HIS CB . 19353 1 1240 . 3 2 16 16 HIS CD2 C 13 120.350 0.200 . 1 . 1077 . . 16 HIS CD2 . 19353 1 1241 . 3 2 16 16 HIS CE1 C 13 135.609 0.200 . 1 . 1078 . . 16 HIS CE1 . 19353 1 1242 . 3 2 16 16 HIS N N 15 126.354 0.013 . 1 . 55 . . 16 HIS N . 19353 1 1243 . 3 2 17 17 GLY H H 1 8.775 0.006 . 1 . 81 . . 17 GLY H . 19353 1 1244 . 3 2 17 17 GLY HA2 H 1 3.651 0.007 . 2 . 1046 . . 17 GLY HA2 . 19353 1 1245 . 3 2 17 17 GLY HA3 H 1 4.497 0.005 . 2 . 966 . . 17 GLY HA3 . 19353 1 1246 . 3 2 17 17 GLY C C 13 170.709 0.200 . 1 . 438 . . 17 GLY C . 19353 1 1247 . 3 2 17 17 GLY CA C 13 46.408 0.029 . 1 . 122 . . 17 GLY CA . 19353 1 1248 . 3 2 17 17 GLY N N 15 110.628 0.023 . 1 . 80 . . 17 GLY N . 19353 1 1249 . 3 2 18 18 VAL H H 1 8.327 0.005 . 1 . 4 . . 18 VAL H . 19353 1 1250 . 3 2 18 18 VAL HA H 1 5.170 0.008 . 1 . 967 . . 18 VAL HA . 19353 1 1251 . 3 2 18 18 VAL HB H 1 1.944 0.003 . 1 . 1047 . . 18 VAL HB . 19353 1 1252 . 3 2 18 18 VAL HG11 H 1 0.920 0.006 . 2 . 1050 . . 18 VAL HG11 . 19353 1 1253 . 3 2 18 18 VAL HG12 H 1 0.920 0.006 . 2 . 1050 . . 18 VAL HG12 . 19353 1 1254 . 3 2 18 18 VAL HG13 H 1 0.920 0.006 . 2 . 1050 . . 18 VAL HG13 . 19353 1 1255 . 3 2 18 18 VAL HG21 H 1 1.019 0.007 . 2 . 1052 . . 18 VAL HG21 . 19353 1 1256 . 3 2 18 18 VAL HG22 H 1 1.019 0.007 . 2 . 1052 . . 18 VAL HG22 . 19353 1 1257 . 3 2 18 18 VAL HG23 H 1 1.019 0.007 . 2 . 1052 . . 18 VAL HG23 . 19353 1 1258 . 3 2 18 18 VAL C C 13 173.281 0.200 . 1 . 439 . . 18 VAL C . 19353 1 1259 . 3 2 18 18 VAL CA C 13 59.726 0.044 . 1 . 121 . . 18 VAL CA . 19353 1 1260 . 3 2 18 18 VAL CB C 13 36.256 0.019 . 1 . 1048 . . 18 VAL CB . 19353 1 1261 . 3 2 18 18 VAL CG1 C 13 22.513 0.021 . 2 . 1049 . . 18 VAL CG1 . 19353 1 1262 . 3 2 18 18 VAL CG2 C 13 22.431 0.017 . 2 . 1051 . . 18 VAL CG2 . 19353 1 1263 . 3 2 18 18 VAL N N 15 114.647 0.029 . 1 . 3 . . 18 VAL N . 19353 1 1264 . 3 2 19 19 ALA H H 1 9.390 0.008 . 1 . 105 . . 19 ALA H . 19353 1 1265 . 3 2 19 19 ALA HA H 1 5.474 0.005 . 1 . 968 . . 19 ALA HA . 19353 1 1266 . 3 2 19 19 ALA HB1 H 1 1.323 0.007 . 1 . 1056 . . 19 ALA HB1 . 19353 1 1267 . 3 2 19 19 ALA HB2 H 1 1.323 0.007 . 1 . 1056 . . 19 ALA HB2 . 19353 1 1268 . 3 2 19 19 ALA HB3 H 1 1.323 0.007 . 1 . 1056 . . 19 ALA HB3 . 19353 1 1269 . 3 2 19 19 ALA C C 13 177.523 0.200 . 1 . 440 . . 19 ALA C . 19353 1 1270 . 3 2 19 19 ALA CA C 13 49.749 0.037 . 1 . 120 . . 19 ALA CA . 19353 1 1271 . 3 2 19 19 ALA CB C 13 22.282 0.015 . 1 . 1057 . . 19 ALA CB . 19353 1 1272 . 3 2 19 19 ALA N N 15 127.991 0.024 . 1 . 104 . . 19 ALA N . 19353 1 1273 . 3 2 20 20 THR H H 1 8.652 0.008 . 1 . 34 . . 20 THR H . 19353 1 1274 . 3 2 20 20 THR HA H 1 4.981 0.008 . 1 . 969 . . 20 THR HA . 19353 1 1275 . 3 2 20 20 THR HB H 1 4.355 0.002 . 1 . 1054 . . 20 THR HB . 19353 1 1276 . 3 2 20 20 THR HG21 H 1 1.276 0.007 . 1 . 1058 . . 20 THR HG21 . 19353 1 1277 . 3 2 20 20 THR HG22 H 1 1.276 0.007 . 1 . 1058 . . 20 THR HG22 . 19353 1 1278 . 3 2 20 20 THR HG23 H 1 1.276 0.007 . 1 . 1058 . . 20 THR HG23 . 19353 1 1279 . 3 2 20 20 THR C C 13 174.708 0.200 . 1 . 444 . . 20 THR C . 19353 1 1280 . 3 2 20 20 THR CA C 13 60.496 0.036 . 1 . 123 . . 20 THR CA . 19353 1 1281 . 3 2 20 20 THR CB C 13 70.564 0.018 . 1 . 1053 . . 20 THR CB . 19353 1 1282 . 3 2 20 20 THR CG2 C 13 22.338 0.038 . 1 . 1055 . . 20 THR CG2 . 19353 1 1283 . 3 2 20 20 THR N N 15 112.277 0.028 . 1 . 33 . . 20 THR N . 19353 1 1284 . 3 2 21 21 VAL H H 1 8.216 0.01 . 1 . 1059 . . 21 VAL H . 19353 1 1285 . 3 2 21 21 VAL HA H 1 4.350 0.012 . 1 . 1060 . . 21 VAL HA . 19353 1 1286 . 3 2 21 21 VAL HB H 1 2.006 0.011 . 1 . 1062 . . 21 VAL HB . 19353 1 1287 . 3 2 21 21 VAL HG11 H 1 0.844 0.009 . 2 . 1063 . . 21 VAL HG11 . 19353 1 1288 . 3 2 21 21 VAL HG12 H 1 0.844 0.009 . 2 . 1063 . . 21 VAL HG12 . 19353 1 1289 . 3 2 21 21 VAL HG13 H 1 0.844 0.009 . 2 . 1063 . . 21 VAL HG13 . 19353 1 1290 . 3 2 21 21 VAL HG21 H 1 0.901 0.01 . 2 . 1064 . . 21 VAL HG21 . 19353 1 1291 . 3 2 21 21 VAL HG22 H 1 0.901 0.01 . 2 . 1064 . . 21 VAL HG22 . 19353 1 1292 . 3 2 21 21 VAL HG23 H 1 0.901 0.01 . 2 . 1064 . . 21 VAL HG23 . 19353 1 1293 . 3 2 21 21 VAL C C 13 175.608 0.200 . 1 . 441 . . 21 VAL C . 19353 1 1294 . 3 2 21 21 VAL CA C 13 61.506 0.019 . 1 . 124 . . 21 VAL CA . 19353 1 1295 . 3 2 21 21 VAL CB C 13 34.063 0.002 . 1 . 1061 . . 21 VAL CB . 19353 1 1296 . 3 2 21 21 VAL CG1 C 13 20.615 0.026 . 2 . 1066 . . 21 VAL CG1 . 19353 1 1297 . 3 2 21 21 VAL CG2 C 13 21.618 0.015 . 2 . 1065 . . 21 VAL CG2 . 19353 1 1298 . 3 2 21 21 VAL N N 15 120.348 0.017 . 1 . 45 . . 21 VAL N . 19353 1 1299 . 3 2 22 22 ALA H H 1 8.506 0.008 . 1 . 101 . . 22 ALA H . 19353 1 1300 . 3 2 22 22 ALA HA H 1 4.471 0.006 . 1 . 970 . . 22 ALA HA . 19353 1 1301 . 3 2 22 22 ALA HB1 H 1 1.394 0.006 . 1 . 1067 . . 22 ALA HB1 . 19353 1 1302 . 3 2 22 22 ALA HB2 H 1 1.394 0.006 . 1 . 1067 . . 22 ALA HB2 . 19353 1 1303 . 3 2 22 22 ALA HB3 H 1 1.394 0.006 . 1 . 1067 . . 22 ALA HB3 . 19353 1 1304 . 3 2 22 22 ALA C C 13 177.576 0.200 . 1 . 445 . . 22 ALA C . 19353 1 1305 . 3 2 22 22 ALA CA C 13 52.255 0.012 . 1 . 125 . . 22 ALA CA . 19353 1 1306 . 3 2 22 22 ALA CB C 13 20.159 0.019 . 1 . 1068 . . 22 ALA CB . 19353 1 1307 . 3 2 22 22 ALA N N 15 128.195 0.018 . 1 . 100 . . 22 ALA N . 19353 1 stop_ save_