data_19798 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19798 _Entry.Title ; Solution Structure of 6aJL2-R24G Amyloidogenic Light Chain Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-13 _Entry.Accession_date 2014-02-23 _Entry.Last_release_date 2014-06-16 _Entry.Original_release_date 2014-06-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Roberto Maya . C. . 19798 2 Paloma Gil . C. . 19798 3 Carlos Amero . . . 19798 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' . 19798 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AL . 19798 Amyloidosis . 19798 'Germ line' . 19798 'lambda 6' . 19798 'Light chain' . 19798 R24G . 19798 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19798 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 677 19798 '15N chemical shifts' 104 19798 '13C chemical shifts' 392 19798 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-06-16 2014-02-13 original author . 19798 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15276 '1H, 13C and 15N resonance assignment of 6aJL2(R25G), a highly fibrillogenic lamdaVI light chain variable domain.' 19798 BMRB 19870 'Solution Structure of 6aJL2 Amyloidogenic Light Chain Protein' 19798 PDB 2W0K 'CRYSTAL STRUCTURE OF THE RECOMBINANT VARIABLE DOMAIN 6JAL2' 19798 PDB 2MKW 'BMRB Entry Tracking System' 19798 PDB 2MMX 'BMRB Entry Tracking System' 19798 stop_ save_ ############### # Citations # ############### save_R24G _Citation.Sf_category citations _Citation.Sf_framecode R24G _Citation.Entry_ID 19798 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of 6aJL2 and 6aJL2-R24G Amyloidogenic Light Chain Proteins' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Roberto Maya . C. . 19798 1 2 Paloma Gil . C. . 19798 1 3 Carlos Amero . . . 19798 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19798 _Assembly.ID 1 _Assembly.Name '6aJL2-R24G Amyloidogenic Light Chain Protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 '6aJL2-R24G Amyloidogenic Light Chain Protein' 1 $entity A . yes native no no . . . 19798 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 entity 1 CYS 22 22 SG . 1 entity 1 CYS 91 91 SG . . 22 CYS . . . 91 CYS . 19798 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 22 22 HG . 22 . . 19798 1 2 . 1 1 CYS 91 91 HG . 91 . . 19798 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2MKW . . . . 'Solution Structure of 6aJL2 Amyloidogenic Light Chain Protein' . 19798 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19798 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NFMLTQPHSVSESPGKTVTI SCTGSSGSIASNYVQWYQQR PGSSPTTVIYEDNQRPSGVP DRFSGSIDSSSNSASLTISG LKTEDEADYYCQSYDSSNHV VFGGGTKLTVL ; _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11861.857 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15276 . 6aJL2 . . . . . 100.00 111 100.00 100.00 3.21e-73 . . . . 19798 1 2 no BMRB 19870 . 6aJL2 . . . . . 100.00 111 99.10 99.10 3.78e-72 . . . . 19798 1 3 no PDB 2MKW . "Solution Structure Of 6ajl2 And 6ajl2-r24g Amyloidogenics Light Chain Proteins" . . . . . 100.00 111 100.00 100.00 3.21e-73 . . . . 19798 1 4 no PDB 2MMX . "Nmr Study Of 6ajl2" . . . . . 100.00 111 99.10 99.10 3.78e-72 . . . . 19798 1 5 no PDB 2W0K . "Crystal Structure Of The Recombinant Variable Domain 6jal2" . . . . . 100.00 111 99.10 99.10 3.78e-72 . . . . 19798 1 6 no PDB 2W0L . "Crystal Structure Of The Mutant H8p From The Recombinant Variable Domain 6jal2" . . . . . 100.00 111 98.20 98.20 1.86e-70 . . . . 19798 1 7 no PDB 3B5G . "Crystal Structure Of The Unstable And Highly Fibrillogenic Pro7ser Mutant Of The Recombinant Variable Domain 6ajl2" . . . . . 100.00 111 98.20 98.20 3.91e-71 . . . . 19798 1 8 no PDB 3BDX . "Crystal Structure Of The Unstable And Highly Fibrillogenic Pro7ser Mutant Of The Recombinant Variable Domain 6ajl2" . . . . . 100.00 111 98.20 98.20 3.91e-71 . . . . 19798 1 9 no PDB 5C9K . "Crystal Structure Of A Highly Fibrillogenic Arg24gly Mutant Of The Recombinant Variable Domain 6ajl2" . . . . . 100.00 111 100.00 100.00 3.21e-73 . . . . 19798 1 10 no DBJ BAA19991 . "V1-22 [Homo sapiens]" . . . . . 88.29 98 98.98 98.98 9.24e-62 . . . . 19798 1 11 no DBJ BAC01822 . "immunoglobulin lambda light chain VLJ region [Homo sapiens]" . . . . . 100.00 264 98.20 99.10 4.73e-71 . . . . 19798 1 12 no DBJ BAC01823 . "immunoglobulin lambda light chain VLJ region [Homo sapiens]" . . . . . 100.00 263 99.10 99.10 2.45e-71 . . . . 19798 1 13 no DBJ BAC01824 . "immunoglobulin lambda light chain VLJ region [Homo sapiens]" . . . . . 100.00 263 97.30 98.20 1.62e-59 . . . . 19798 1 14 no DBJ BAC01857 . "immunoglobulin lambda light chain VLJ region [Homo sapiens]" . . . . . 100.00 261 97.30 98.20 6.17e-70 . . . . 19798 1 15 no EMBL CAD43014 . "immunoglobulin lambda chain variable region [Homo sapiens]" . . . . . 100.00 112 97.30 97.30 2.28e-69 . . . . 19798 1 16 no EMBL CAJ75494 . "immunoglobulin lambda light chain [Homo sapiens]" . . . . . 71.17 79 98.73 100.00 3.91e-47 . . . . 19798 1 17 no EMBL CAJ75495 . "immunoglobulin lambda light chain [Homo sapiens]" . . . . . 79.28 97 98.86 100.00 2.42e-54 . . . . 19798 1 18 no EMBL CAP74492 . "immunoglobulin lambda variable region [Homo sapiens]" . . . . . 88.29 98 97.96 100.00 8.37e-62 . . . . 19798 1 19 no EMBL CAP74493 . "immunoglobulin lambda variable region [Homo sapiens]" . . . . . 81.98 96 97.80 98.90 2.19e-55 . . . . 19798 1 20 no GB AAB33217 . "immunoglobulin lambda light chain variable region [Homo sapiens]" . . . . . 88.29 98 98.98 98.98 9.24e-62 . . . . 19798 1 21 no GB AAG24687 . "immunoglobulin lambda light chain variable region [Homo sapiens]" . . . . . 81.98 96 97.80 98.90 6.37e-55 . . . . 19798 1 22 no GB AAG24691 . "immunoglobulin lambda light chain variable region [Homo sapiens]" . . . . . 81.98 94 97.80 98.90 8.51e-55 . . . . 19798 1 23 no GB AAG47681 . "immunoglobulin lambda chain variable region [Homo sapiens]" . . . . . 75.68 84 98.81 98.81 6.56e-51 . . . . 19798 1 24 no GB AAM46210 . "immunoglobulin lambda light chain variable region [Homo sapiens]" . . . . . 81.98 90 97.80 97.80 3.94e-53 . . . . 19798 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ASN . 19798 1 2 2 PHE . 19798 1 3 3 MET . 19798 1 4 4 LEU . 19798 1 5 5 THR . 19798 1 6 6 GLN . 19798 1 7 7 PRO . 19798 1 8 8 HIS . 19798 1 9 9 SER . 19798 1 10 10 VAL . 19798 1 11 11 SER . 19798 1 12 12 GLU . 19798 1 13 13 SER . 19798 1 14 14 PRO . 19798 1 15 15 GLY . 19798 1 16 16 LYS . 19798 1 17 17 THR . 19798 1 18 18 VAL . 19798 1 19 19 THR . 19798 1 20 20 ILE . 19798 1 21 21 SER . 19798 1 22 22 CYS . 19798 1 23 23 THR . 19798 1 24 24 GLY . 19798 1 25 25 SER . 19798 1 26 26 SER . 19798 1 27 27 GLY . 19798 1 28 28 SER . 19798 1 29 29 ILE . 19798 1 30 30 ALA . 19798 1 31 31 SER . 19798 1 32 32 ASN . 19798 1 33 33 TYR . 19798 1 34 34 VAL . 19798 1 35 35 GLN . 19798 1 36 36 TRP . 19798 1 37 37 TYR . 19798 1 38 38 GLN . 19798 1 39 39 GLN . 19798 1 40 40 ARG . 19798 1 41 41 PRO . 19798 1 42 42 GLY . 19798 1 43 43 SER . 19798 1 44 44 SER . 19798 1 45 45 PRO . 19798 1 46 46 THR . 19798 1 47 47 THR . 19798 1 48 48 VAL . 19798 1 49 49 ILE . 19798 1 50 50 TYR . 19798 1 51 51 GLU . 19798 1 52 52 ASP . 19798 1 53 53 ASN . 19798 1 54 54 GLN . 19798 1 55 55 ARG . 19798 1 56 56 PRO . 19798 1 57 57 SER . 19798 1 58 58 GLY . 19798 1 59 59 VAL . 19798 1 60 60 PRO . 19798 1 61 61 ASP . 19798 1 62 62 ARG . 19798 1 63 63 PHE . 19798 1 64 64 SER . 19798 1 65 65 GLY . 19798 1 66 66 SER . 19798 1 67 67 ILE . 19798 1 68 68 ASP . 19798 1 69 69 SER . 19798 1 70 70 SER . 19798 1 71 71 SER . 19798 1 72 72 ASN . 19798 1 73 73 SER . 19798 1 74 74 ALA . 19798 1 75 75 SER . 19798 1 76 76 LEU . 19798 1 77 77 THR . 19798 1 78 78 ILE . 19798 1 79 79 SER . 19798 1 80 80 GLY . 19798 1 81 81 LEU . 19798 1 82 82 LYS . 19798 1 83 83 THR . 19798 1 84 84 GLU . 19798 1 85 85 ASP . 19798 1 86 86 GLU . 19798 1 87 87 ALA . 19798 1 88 88 ASP . 19798 1 89 89 TYR . 19798 1 90 90 TYR . 19798 1 91 91 CYS . 19798 1 92 92 GLN . 19798 1 93 93 SER . 19798 1 94 94 TYR . 19798 1 95 95 ASP . 19798 1 96 96 SER . 19798 1 97 97 SER . 19798 1 98 98 ASN . 19798 1 99 99 HIS . 19798 1 100 100 VAL . 19798 1 101 101 VAL . 19798 1 102 102 PHE . 19798 1 103 103 GLY . 19798 1 104 104 GLY . 19798 1 105 105 GLY . 19798 1 106 106 THR . 19798 1 107 107 LYS . 19798 1 108 108 LEU . 19798 1 109 109 THR . 19798 1 110 110 VAL . 19798 1 111 111 LEU . 19798 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 . ASN 1 1 19798 1 . PHE 2 2 19798 1 . MET 3 3 19798 1 . LEU 4 4 19798 1 . THR 5 5 19798 1 . GLN 6 6 19798 1 . PRO 7 7 19798 1 . HIS 8 8 19798 1 . SER 9 9 19798 1 . VAL 10 10 19798 1 . SER 11 11 19798 1 . GLU 12 12 19798 1 . SER 13 13 19798 1 . PRO 14 14 19798 1 . GLY 15 15 19798 1 . LYS 16 16 19798 1 . THR 17 17 19798 1 . VAL 18 18 19798 1 . THR 19 19 19798 1 . ILE 20 20 19798 1 . SER 21 21 19798 1 . CYS 22 22 19798 1 . THR 23 23 19798 1 . GLY 24 24 19798 1 . SER 25 25 19798 1 . SER 26 26 19798 1 . GLY 27 27 19798 1 . SER 28 28 19798 1 . ILE 29 29 19798 1 . ALA 30 30 19798 1 . SER 31 31 19798 1 . ASN 32 32 19798 1 . TYR 33 33 19798 1 . VAL 34 34 19798 1 . GLN 35 35 19798 1 . TRP 36 36 19798 1 . TYR 37 37 19798 1 . GLN 38 38 19798 1 . GLN 39 39 19798 1 . ARG 40 40 19798 1 . PRO 41 41 19798 1 . GLY 42 42 19798 1 . SER 43 43 19798 1 . SER 44 44 19798 1 . PRO 45 45 19798 1 . THR 46 46 19798 1 . THR 47 47 19798 1 . VAL 48 48 19798 1 . ILE 49 49 19798 1 . TYR 50 50 19798 1 . GLU 51 51 19798 1 . ASP 52 52 19798 1 . ASN 53 53 19798 1 . GLN 54 54 19798 1 . ARG 55 55 19798 1 . PRO 56 56 19798 1 . SER 57 57 19798 1 . GLY 58 58 19798 1 . VAL 59 59 19798 1 . PRO 60 60 19798 1 . ASP 61 61 19798 1 . ARG 62 62 19798 1 . PHE 63 63 19798 1 . SER 64 64 19798 1 . GLY 65 65 19798 1 . SER 66 66 19798 1 . ILE 67 67 19798 1 . ASP 68 68 19798 1 . SER 69 69 19798 1 . SER 70 70 19798 1 . SER 71 71 19798 1 . ASN 72 72 19798 1 . SER 73 73 19798 1 . ALA 74 74 19798 1 . SER 75 75 19798 1 . LEU 76 76 19798 1 . THR 77 77 19798 1 . ILE 78 78 19798 1 . SER 79 79 19798 1 . GLY 80 80 19798 1 . LEU 81 81 19798 1 . LYS 82 82 19798 1 . THR 83 83 19798 1 . GLU 84 84 19798 1 . ASP 85 85 19798 1 . GLU 86 86 19798 1 . ALA 87 87 19798 1 . ASP 88 88 19798 1 . TYR 89 89 19798 1 . TYR 90 90 19798 1 . CYS 91 91 19798 1 . GLN 92 92 19798 1 . SER 93 93 19798 1 . TYR 94 94 19798 1 . ASP 95 95 19798 1 . SER 96 96 19798 1 . SER 97 97 19798 1 . ASN 98 98 19798 1 . HIS 99 99 19798 1 . VAL 100 100 19798 1 . VAL 101 101 19798 1 . PHE 102 102 19798 1 . GLY 103 103 19798 1 . GLY 104 104 19798 1 . GLY 105 105 19798 1 . THR 106 106 19798 1 . LYS 107 107 19798 1 . LEU 108 108 19798 1 . THR 109 109 19798 1 . VAL 110 110 19798 1 . LEU 111 111 19798 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19798 _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 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19798 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 19798 _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 $entity . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pET27 . . . . . . 19798 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19798 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-100% 13C; U-100% 15N]' . . 1 $entity . protein . 0.8 1.2 mM . . . . 19798 1 2 'sodium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 19798 1 3 'sodium chloride' 'natural abundance' . . . . . salt 75 . . mM . . . . 19798 1 4 H2O . . . . . . solvent 95 . . % . . . . 19798 1 5 D2O . . . . . . solvent 5 . . % . . . . 19798 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19798 _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' 75 . mM 19798 1 pH 7.4 . pH 19798 1 pressure 1 . atm 19798 1 temperature 298.15 . K 19798 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19798 _Software.ID 1 _Software.Name X-PLOR_NIH _Software.Version 2.33 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19798 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19798 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19798 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19798 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19798 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19798 _Software.ID 3 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19798 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19798 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19798 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19798 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 'Uniform NMR System' . 700 . . . 19798 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 19798 _Experiment_list.ID 1 _Experiment_list.Details 'The structure was calculated using a combination of the HN-HSQC, HN-NOESY, D2O-HSQC, SEA-HSQC experiments' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19798 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19798 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19798 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19798 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19798 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19798 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19798 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19798 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19798 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 19798 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19798 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 19798 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 19798 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCACB' 1 $sample_1 isotropic 19798 1 3 '3D 1H-13C NOESY' 1 $sample_1 isotropic 19798 1 5 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 19798 1 6 '3D HNCA' 1 $sample_1 isotropic 19798 1 7 '3D HNCO' 1 $sample_1 isotropic 19798 1 8 '3D HN(CO)CA' 1 $sample_1 isotropic 19798 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN HA H 1 4.753 0.020 . 1 . . . A 1 ASN HA . 19798 1 2 . 1 1 1 1 ASN HB2 H 1 2.616 0.020 . 2 . . . A 1 ASN HB2 . 19798 1 3 . 1 1 1 1 ASN HB3 H 1 2.832 0.020 . 2 . . . A 1 ASN HB3 . 19798 1 4 . 1 1 1 1 ASN HD21 H 1 7.695 0.020 . 1 . . . A 1 ASN HD21 . 19798 1 5 . 1 1 1 1 ASN HD22 H 1 7.065 0.020 . 1 . . . A 1 ASN HD22 . 19798 1 6 . 1 1 1 1 ASN ND2 N 15 113.811 0.3 . 1 . . . A 1 ASN ND2 . 19798 1 7 . 1 1 2 2 PHE HA H 1 4.806 0.020 . 1 . . . A 2 PHE HA . 19798 1 8 . 1 1 2 2 PHE HB2 H 1 3.330 0.020 . 2 . . . A 2 PHE HB2 . 19798 1 9 . 1 1 2 2 PHE HB3 H 1 2.696 0.020 . 2 . . . A 2 PHE HB3 . 19798 1 10 . 1 1 2 2 PHE HD1 H 1 6.946 0.020 . 3 . . . A 2 PHE HD1 . 19798 1 11 . 1 1 2 2 PHE HD2 H 1 6.931 0.020 . 3 . . . A 2 PHE HD2 . 19798 1 12 . 1 1 2 2 PHE HE1 H 1 6.860 0.020 . 1 . . . A 2 PHE HE1 . 19798 1 13 . 1 1 2 2 PHE HE2 H 1 6.860 0.020 . 1 . . . A 2 PHE HE2 . 19798 1 14 . 1 1 2 2 PHE HZ H 1 7.020 0.020 . 1 . . . A 2 PHE HZ . 19798 1 15 . 1 1 2 2 PHE C C 13 173.400 0.3 . 1 . . . A 2 PHE C . 19798 1 16 . 1 1 2 2 PHE CA C 13 58.012 0.3 . 1 . . . A 2 PHE CA . 19798 1 17 . 1 1 2 2 PHE CB C 13 40.425 0.3 . 1 . . . A 2 PHE CB . 19798 1 18 . 1 1 3 3 MET H H 1 7.802 0.020 . 1 . . . A 3 MET H . 19798 1 19 . 1 1 3 3 MET HA H 1 4.330 0.020 . 1 . . . A 3 MET HA . 19798 1 20 . 1 1 3 3 MET HB2 H 1 1.822 0.020 . 2 . . . A 3 MET HB2 . 19798 1 21 . 1 1 3 3 MET HB3 H 1 1.730 0.020 . 2 . . . A 3 MET HB3 . 19798 1 22 . 1 1 3 3 MET HG2 H 1 2.413 0.020 . 2 . . . A 3 MET HG2 . 19798 1 23 . 1 1 3 3 MET HG3 H 1 2.361 0.020 . 2 . . . A 3 MET HG3 . 19798 1 24 . 1 1 3 3 MET HE1 H 1 2.007 0.020 . 1 . . . A 3 MET HE1 . 19798 1 25 . 1 1 3 3 MET HE2 H 1 2.007 0.020 . 1 . . . A 3 MET HE2 . 19798 1 26 . 1 1 3 3 MET HE3 H 1 2.007 0.020 . 1 . . . A 3 MET HE3 . 19798 1 27 . 1 1 3 3 MET C C 13 172.800 0.3 . 1 . . . A 3 MET C . 19798 1 28 . 1 1 3 3 MET CA C 13 54.038 0.3 . 1 . . . A 3 MET CA . 19798 1 29 . 1 1 3 3 MET CB C 13 36.316 0.3 . 1 . . . A 3 MET CB . 19798 1 30 . 1 1 3 3 MET CG C 13 31.728 0.3 . 1 . . . A 3 MET CG . 19798 1 31 . 1 1 3 3 MET CE C 13 16.407 0.3 . 1 . . . A 3 MET CE . 19798 1 32 . 1 1 3 3 MET N N 15 124.744 0.3 . 1 . . . A 3 MET N . 19798 1 33 . 1 1 4 4 LEU H H 1 8.074 0.020 . 1 . . . A 4 LEU H . 19798 1 34 . 1 1 4 4 LEU HA H 1 4.670 0.020 . 1 . . . A 4 LEU HA . 19798 1 35 . 1 1 4 4 LEU HB2 H 1 1.100 0.020 . 2 . . . A 4 LEU HB2 . 19798 1 36 . 1 1 4 4 LEU HB3 H 1 1.030 0.020 . 2 . . . A 4 LEU HB3 . 19798 1 37 . 1 1 4 4 LEU HG H 1 0.799 0.020 . 1 . . . A 4 LEU HG . 19798 1 38 . 1 1 4 4 LEU HD11 H 1 0.339 0.020 . 2 . . . A 4 LEU HD11 . 19798 1 39 . 1 1 4 4 LEU HD12 H 1 0.339 0.020 . 2 . . . A 4 LEU HD12 . 19798 1 40 . 1 1 4 4 LEU HD13 H 1 0.339 0.020 . 2 . . . A 4 LEU HD13 . 19798 1 41 . 1 1 4 4 LEU HD21 H 1 0.478 0.020 . 2 . . . A 4 LEU HD21 . 19798 1 42 . 1 1 4 4 LEU HD22 H 1 0.478 0.020 . 2 . . . A 4 LEU HD22 . 19798 1 43 . 1 1 4 4 LEU HD23 H 1 0.478 0.020 . 2 . . . A 4 LEU HD23 . 19798 1 44 . 1 1 4 4 LEU C C 13 176.200 0.3 . 1 . . . A 4 LEU C . 19798 1 45 . 1 1 4 4 LEU CA C 13 53.710 0.3 . 1 . . . A 4 LEU CA . 19798 1 46 . 1 1 4 4 LEU CB C 13 44.100 0.3 . 1 . . . A 4 LEU CB . 19798 1 47 . 1 1 4 4 LEU CG C 13 25.800 0.3 . 1 . . . A 4 LEU CG . 19798 1 48 . 1 1 4 4 LEU CD1 C 13 26.000 0.3 . 1 . . . A 4 LEU CD1 . 19798 1 49 . 1 1 4 4 LEU CD2 C 13 23.600 0.3 . 1 . . . A 4 LEU CD2 . 19798 1 50 . 1 1 4 4 LEU N N 15 120.401 0.3 . 1 . . . A 4 LEU N . 19798 1 51 . 1 1 5 5 THR H H 1 8.747 0.020 . 1 . . . A 5 THR H . 19798 1 52 . 1 1 5 5 THR HA H 1 4.671 0.020 . 1 . . . A 5 THR HA . 19798 1 53 . 1 1 5 5 THR HB H 1 3.892 0.020 . 1 . . . A 5 THR HB . 19798 1 54 . 1 1 5 5 THR HG21 H 1 1.141 0.020 . 1 . . . A 5 THR HG21 . 19798 1 55 . 1 1 5 5 THR HG22 H 1 1.141 0.020 . 1 . . . A 5 THR HG22 . 19798 1 56 . 1 1 5 5 THR HG23 H 1 1.141 0.020 . 1 . . . A 5 THR HG23 . 19798 1 57 . 1 1 5 5 THR C C 13 173.700 0.3 . 1 . . . A 5 THR C . 19798 1 58 . 1 1 5 5 THR CA C 13 61.500 0.3 . 1 . . . A 5 THR CA . 19798 1 59 . 1 1 5 5 THR CB C 13 70.387 0.3 . 1 . . . A 5 THR CB . 19798 1 60 . 1 1 5 5 THR CG2 C 13 21.219 0.3 . 1 . . . A 5 THR CG2 . 19798 1 61 . 1 1 5 5 THR N N 15 116.696 0.3 . 1 . . . A 5 THR N . 19798 1 62 . 1 1 6 6 GLN H H 1 9.251 0.020 . 1 . . . A 6 GLN H . 19798 1 63 . 1 1 6 6 GLN HA H 1 5.294 0.020 . 1 . . . A 6 GLN HA . 19798 1 64 . 1 1 6 6 GLN HB2 H 1 2.404 0.020 . 2 . . . A 6 GLN HB2 . 19798 1 65 . 1 1 6 6 GLN HB3 H 1 1.650 0.020 . 2 . . . A 6 GLN HB3 . 19798 1 66 . 1 1 6 6 GLN HG2 H 1 2.770 0.020 . 2 . . . A 6 GLN HG2 . 19798 1 67 . 1 1 6 6 GLN HG3 H 1 2.000 0.020 . 2 . . . A 6 GLN HG3 . 19798 1 68 . 1 1 6 6 GLN HE21 H 1 7.678 0.020 . 1 . . . A 6 GLN HE21 . 19798 1 69 . 1 1 6 6 GLN HE22 H 1 7.235 0.020 . 1 . . . A 6 GLN HE22 . 19798 1 70 . 1 1 6 6 GLN C C 13 173.900 0.3 . 1 . . . A 6 GLN C . 19798 1 71 . 1 1 6 6 GLN CA C 13 52.075 0.3 . 1 . . . A 6 GLN CA . 19798 1 72 . 1 1 6 6 GLN CB C 13 32.285 0.3 . 1 . . . A 6 GLN CB . 19798 1 73 . 1 1 6 6 GLN CG C 13 36.004 0.3 . 1 . . . A 6 GLN CG . 19798 1 74 . 1 1 6 6 GLN N N 15 125.488 0.3 . 1 . . . A 6 GLN N . 19798 1 75 . 1 1 6 6 GLN NE2 N 15 110.953 0.3 . 1 . . . A 6 GLN NE2 . 19798 1 76 . 1 1 8 8 HIS HA H 1 4.630 0.020 . 1 . . . A 8 HIS HA . 19798 1 77 . 1 1 8 8 HIS HB2 H 1 3.239 0.020 . 1 . . . A 8 HIS HB2 . 19798 1 78 . 1 1 8 8 HIS HB3 H 1 3.239 0.020 . 1 . . . A 8 HIS HB3 . 19798 1 79 . 1 1 8 8 HIS HD2 H 1 7.470 0.020 . 1 . . . A 8 HIS HD2 . 19798 1 80 . 1 1 8 8 HIS HE1 H 1 8.650 0.020 . 1 . . . A 8 HIS HE1 . 19798 1 81 . 1 1 8 8 HIS C C 13 176.400 0.3 . 1 . . . A 8 HIS C . 19798 1 82 . 1 1 8 8 HIS CA C 13 59.200 0.3 . 1 . . . A 8 HIS CA . 19798 1 83 . 1 1 8 8 HIS CB C 13 28.700 0.3 . 1 . . . A 8 HIS CB . 19798 1 84 . 1 1 9 9 SER H H 1 7.896 0.020 . 1 . . . A 9 SER H . 19798 1 85 . 1 1 9 9 SER HA H 1 5.302 0.020 . 1 . . . A 9 SER HA . 19798 1 86 . 1 1 9 9 SER HB2 H 1 4.781 0.020 . 2 . . . A 9 SER HB2 . 19798 1 87 . 1 1 9 9 SER HB3 H 1 3.817 0.020 . 2 . . . A 9 SER HB3 . 19798 1 88 . 1 1 9 9 SER C C 13 172.300 0.3 . 1 . . . A 9 SER C . 19798 1 89 . 1 1 9 9 SER CA C 13 56.884 0.3 . 1 . . . A 9 SER CA . 19798 1 90 . 1 1 9 9 SER CB C 13 65.618 0.3 . 1 . . . A 9 SER CB . 19798 1 91 . 1 1 9 9 SER N N 15 110.956 0.3 . 1 . . . A 9 SER N . 19798 1 92 . 1 1 10 10 VAL H H 1 8.599 0.020 . 1 . . . A 10 VAL H . 19798 1 93 . 1 1 10 10 VAL HA H 1 4.392 0.020 . 1 . . . A 10 VAL HA . 19798 1 94 . 1 1 10 10 VAL HB H 1 1.803 0.020 . 1 . . . A 10 VAL HB . 19798 1 95 . 1 1 10 10 VAL HG11 H 1 0.870 0.020 . 2 . . . A 10 VAL HG11 . 19798 1 96 . 1 1 10 10 VAL HG12 H 1 0.870 0.020 . 2 . . . A 10 VAL HG12 . 19798 1 97 . 1 1 10 10 VAL HG13 H 1 0.870 0.020 . 2 . . . A 10 VAL HG13 . 19798 1 98 . 1 1 10 10 VAL HG21 H 1 0.812 0.020 . 2 . . . A 10 VAL HG21 . 19798 1 99 . 1 1 10 10 VAL HG22 H 1 0.812 0.020 . 2 . . . A 10 VAL HG22 . 19798 1 100 . 1 1 10 10 VAL HG23 H 1 0.812 0.020 . 2 . . . A 10 VAL HG23 . 19798 1 101 . 1 1 10 10 VAL C C 13 173.400 0.3 . 1 . . . A 10 VAL C . 19798 1 102 . 1 1 10 10 VAL CA C 13 60.808 0.3 . 1 . . . A 10 VAL CA . 19798 1 103 . 1 1 10 10 VAL CB C 13 36.616 0.3 . 1 . . . A 10 VAL CB . 19798 1 104 . 1 1 10 10 VAL CG1 C 13 21.526 0.3 . 1 . . . A 10 VAL CG1 . 19798 1 105 . 1 1 10 10 VAL CG2 C 13 21.300 0.3 . 1 . . . A 10 VAL CG2 . 19798 1 106 . 1 1 10 10 VAL N N 15 120.650 0.3 . 1 . . . A 10 VAL N . 19798 1 107 . 1 1 11 11 SER H H 1 8.291 0.020 . 1 . . . A 11 SER H . 19798 1 108 . 1 1 11 11 SER HA H 1 5.745 0.020 . 1 . . . A 11 SER HA . 19798 1 109 . 1 1 11 11 SER HB2 H 1 3.670 0.020 . 2 . . . A 11 SER HB2 . 19798 1 110 . 1 1 11 11 SER HB3 H 1 3.586 0.020 . 2 . . . A 11 SER HB3 . 19798 1 111 . 1 1 11 11 SER C C 13 173.200 0.3 . 1 . . . A 11 SER C . 19798 1 112 . 1 1 11 11 SER CA C 13 55.848 0.3 . 1 . . . A 11 SER CA . 19798 1 113 . 1 1 11 11 SER CB C 13 65.972 0.3 . 1 . . . A 11 SER CB . 19798 1 114 . 1 1 11 11 SER N N 15 118.785 0.3 . 1 . . . A 11 SER N . 19798 1 115 . 1 1 12 12 GLU H H 1 8.243 0.020 . 1 . . . A 12 GLU H . 19798 1 116 . 1 1 12 12 GLU HA H 1 4.541 0.020 . 1 . . . A 12 GLU HA . 19798 1 117 . 1 1 12 12 GLU HB2 H 1 1.740 0.020 . 2 . . . A 12 GLU HB2 . 19798 1 118 . 1 1 12 12 GLU HB3 H 1 1.590 0.020 . 2 . . . A 12 GLU HB3 . 19798 1 119 . 1 1 12 12 GLU HG2 H 1 2.526 0.020 . 2 . . . A 12 GLU HG2 . 19798 1 120 . 1 1 12 12 GLU HG3 H 1 2.384 0.020 . 2 . . . A 12 GLU HG3 . 19798 1 121 . 1 1 12 12 GLU C C 13 174.200 0.3 . 1 . . . A 12 GLU C . 19798 1 122 . 1 1 12 12 GLU CA C 13 54.216 0.3 . 1 . . . A 12 GLU CA . 19798 1 123 . 1 1 12 12 GLU CB C 13 35.065 0.3 . 1 . . . A 12 GLU CB . 19798 1 124 . 1 1 12 12 GLU CG C 13 36.775 0.3 . 1 . . . A 12 GLU CG . 19798 1 125 . 1 1 12 12 GLU N N 15 123.685 0.3 . 1 . . . A 12 GLU N . 19798 1 126 . 1 1 13 13 SER H H 1 9.693 0.020 . 1 . . . A 13 SER H . 19798 1 127 . 1 1 13 13 SER HA H 1 4.810 0.020 . 1 . . . A 13 SER HA . 19798 1 128 . 1 1 13 13 SER HB2 H 1 3.913 0.020 . 2 . . . A 13 SER HB2 . 19798 1 129 . 1 1 13 13 SER HB3 H 1 3.524 0.020 . 2 . . . A 13 SER HB3 . 19798 1 130 . 1 1 13 13 SER C C 13 171.100 0.3 . 1 . . . A 13 SER C . 19798 1 131 . 1 1 13 13 SER CA C 13 57.921 0.3 . 1 . . . A 13 SER CA . 19798 1 132 . 1 1 13 13 SER CB C 13 62.787 0.3 . 1 . . . A 13 SER CB . 19798 1 133 . 1 1 13 13 SER N N 15 119.524 0.3 . 1 . . . A 13 SER N . 19798 1 134 . 1 1 14 14 PRO HA H 1 3.950 0.020 . 1 . . . A 14 PRO HA . 19798 1 135 . 1 1 14 14 PRO HB2 H 1 2.154 0.020 . 2 . . . A 14 PRO HB2 . 19798 1 136 . 1 1 14 14 PRO HB3 H 1 1.830 0.020 . 2 . . . A 14 PRO HB3 . 19798 1 137 . 1 1 14 14 PRO HG2 H 1 2.077 0.020 . 2 . . . A 14 PRO HG2 . 19798 1 138 . 1 1 14 14 PRO HG3 H 1 1.716 0.020 . 2 . . . A 14 PRO HG3 . 19798 1 139 . 1 1 14 14 PRO HD2 H 1 3.930 0.020 . 2 . . . A 14 PRO HD2 . 19798 1 140 . 1 1 14 14 PRO HD3 H 1 3.540 0.020 . 2 . . . A 14 PRO HD3 . 19798 1 141 . 1 1 14 14 PRO C C 13 177.700 0.3 . 1 . . . A 14 PRO C . 19798 1 142 . 1 1 14 14 PRO CA C 13 63.447 0.3 . 1 . . . A 14 PRO CA . 19798 1 143 . 1 1 14 14 PRO CB C 13 31.328 0.3 . 1 . . . A 14 PRO CB . 19798 1 144 . 1 1 15 15 GLY H H 1 10.070 0.020 . 1 . . . A 15 GLY H . 19798 1 145 . 1 1 15 15 GLY HA2 H 1 4.263 0.020 . 2 . . . A 15 GLY HA2 . 19798 1 146 . 1 1 15 15 GLY HA3 H 1 3.383 0.020 . 2 . . . A 15 GLY HA3 . 19798 1 147 . 1 1 15 15 GLY C C 13 174.800 0.3 . 1 . . . A 15 GLY C . 19798 1 148 . 1 1 15 15 GLY CA C 13 44.413 0.3 . 1 . . . A 15 GLY CA . 19798 1 149 . 1 1 15 15 GLY N N 15 112.023 0.3 . 1 . . . A 15 GLY N . 19798 1 150 . 1 1 16 16 LYS H H 1 7.187 0.020 . 1 . . . A 16 LYS H . 19798 1 151 . 1 1 16 16 LYS HA H 1 4.449 0.020 . 1 . . . A 16 LYS HA . 19798 1 152 . 1 1 16 16 LYS HB2 H 1 1.878 0.020 . 2 . . . A 16 LYS HB2 . 19798 1 153 . 1 1 16 16 LYS HB3 H 1 1.880 0.020 . 2 . . . A 16 LYS HB3 . 19798 1 154 . 1 1 16 16 LYS HG2 H 1 1.368 0.020 . 2 . . . A 16 LYS HG2 . 19798 1 155 . 1 1 16 16 LYS HG3 H 1 1.166 0.020 . 2 . . . A 16 LYS HG3 . 19798 1 156 . 1 1 16 16 LYS HD2 H 1 1.575 0.020 . 2 . . . A 16 LYS HD2 . 19798 1 157 . 1 1 16 16 LYS HD3 H 1 1.620 0.020 . 2 . . . A 16 LYS HD3 . 19798 1 158 . 1 1 16 16 LYS HE2 H 1 2.960 0.020 . 1 . . . A 16 LYS HE2 . 19798 1 159 . 1 1 16 16 LYS HE3 H 1 2.960 0.020 . 1 . . . A 16 LYS HE3 . 19798 1 160 . 1 1 16 16 LYS C C 13 174.300 0.3 . 1 . . . A 16 LYS C . 19798 1 161 . 1 1 16 16 LYS CA C 13 55.211 0.3 . 1 . . . A 16 LYS CA . 19798 1 162 . 1 1 16 16 LYS CB C 13 32.675 0.3 . 1 . . . A 16 LYS CB . 19798 1 163 . 1 1 16 16 LYS CG C 13 24.880 0.3 . 1 . . . A 16 LYS CG . 19798 1 164 . 1 1 16 16 LYS CD C 13 27.900 0.3 . 1 . . . A 16 LYS CD . 19798 1 165 . 1 1 16 16 LYS CE C 13 42.200 0.3 . 1 . . . A 16 LYS CE . 19798 1 166 . 1 1 16 16 LYS N N 15 121.085 0.3 . 1 . . . A 16 LYS N . 19798 1 167 . 1 1 17 17 THR H H 1 8.044 0.020 . 1 . . . A 17 THR H . 19798 1 168 . 1 1 17 17 THR HA H 1 5.325 0.020 . 1 . . . A 17 THR HA . 19798 1 169 . 1 1 17 17 THR HB H 1 3.797 0.020 . 1 . . . A 17 THR HB . 19798 1 170 . 1 1 17 17 THR HG21 H 1 0.866 0.020 . 1 . . . A 17 THR HG21 . 19798 1 171 . 1 1 17 17 THR HG22 H 1 0.866 0.020 . 1 . . . A 17 THR HG22 . 19798 1 172 . 1 1 17 17 THR HG23 H 1 0.866 0.020 . 1 . . . A 17 THR HG23 . 19798 1 173 . 1 1 17 17 THR C C 13 173.800 0.3 . 1 . . . A 17 THR C . 19798 1 174 . 1 1 17 17 THR CA C 13 60.842 0.3 . 1 . . . A 17 THR CA . 19798 1 175 . 1 1 17 17 THR CB C 13 69.861 0.3 . 1 . . . A 17 THR CB . 19798 1 176 . 1 1 17 17 THR CG2 C 13 21.500 0.3 . 1 . . . A 17 THR CG2 . 19798 1 177 . 1 1 17 17 THR N N 15 115.430 0.3 . 1 . . . A 17 THR N . 19798 1 178 . 1 1 18 18 VAL H H 1 8.601 0.020 . 1 . . . A 18 VAL H . 19798 1 179 . 1 1 18 18 VAL HA H 1 4.546 0.020 . 1 . . . A 18 VAL HA . 19798 1 180 . 1 1 18 18 VAL HB H 1 1.643 0.020 . 1 . . . A 18 VAL HB . 19798 1 181 . 1 1 18 18 VAL HG11 H 1 0.691 0.020 . 2 . . . A 18 VAL HG11 . 19798 1 182 . 1 1 18 18 VAL HG12 H 1 0.691 0.020 . 2 . . . A 18 VAL HG12 . 19798 1 183 . 1 1 18 18 VAL HG13 H 1 0.691 0.020 . 2 . . . A 18 VAL HG13 . 19798 1 184 . 1 1 18 18 VAL HG21 H 1 0.747 0.020 . 2 . . . A 18 VAL HG21 . 19798 1 185 . 1 1 18 18 VAL HG22 H 1 0.747 0.020 . 2 . . . A 18 VAL HG22 . 19798 1 186 . 1 1 18 18 VAL HG23 H 1 0.747 0.020 . 2 . . . A 18 VAL HG23 . 19798 1 187 . 1 1 18 18 VAL C C 13 172.200 0.3 . 1 . . . A 18 VAL C . 19798 1 188 . 1 1 18 18 VAL CA C 13 58.811 0.3 . 1 . . . A 18 VAL CA . 19798 1 189 . 1 1 18 18 VAL CB C 13 35.057 0.3 . 1 . . . A 18 VAL CB . 19798 1 190 . 1 1 18 18 VAL CG1 C 13 21.162 0.3 . 1 . . . A 18 VAL CG1 . 19798 1 191 . 1 1 18 18 VAL CG2 C 13 21.300 0.3 . 1 . . . A 18 VAL CG2 . 19798 1 192 . 1 1 18 18 VAL N N 15 124.487 0.3 . 1 . . . A 18 VAL N . 19798 1 193 . 1 1 19 19 THR H H 1 8.119 0.020 . 1 . . . A 19 THR H . 19798 1 194 . 1 1 19 19 THR HA H 1 5.034 0.020 . 1 . . . A 19 THR HA . 19798 1 195 . 1 1 19 19 THR HB H 1 3.603 0.020 . 1 . . . A 19 THR HB . 19798 1 196 . 1 1 19 19 THR HG21 H 1 0.870 0.020 . 1 . . . A 19 THR HG21 . 19798 1 197 . 1 1 19 19 THR HG22 H 1 0.870 0.020 . 1 . . . A 19 THR HG22 . 19798 1 198 . 1 1 19 19 THR HG23 H 1 0.870 0.020 . 1 . . . A 19 THR HG23 . 19798 1 199 . 1 1 19 19 THR C C 13 173.400 0.3 . 1 . . . A 19 THR C . 19798 1 200 . 1 1 19 19 THR CA C 13 60.786 0.3 . 1 . . . A 19 THR CA . 19798 1 201 . 1 1 19 19 THR CB C 13 70.706 0.3 . 1 . . . A 19 THR CB . 19798 1 202 . 1 1 19 19 THR CG2 C 13 21.402 0.3 . 1 . . . A 19 THR CG2 . 19798 1 203 . 1 1 19 19 THR N N 15 120.165 0.3 . 1 . . . A 19 THR N . 19798 1 204 . 1 1 20 20 ILE H H 1 9.237 0.020 . 1 . . . A 20 ILE H . 19798 1 205 . 1 1 20 20 ILE HA H 1 4.016 0.020 . 1 . . . A 20 ILE HA . 19798 1 206 . 1 1 20 20 ILE HB H 1 1.430 0.020 . 1 . . . A 20 ILE HB . 19798 1 207 . 1 1 20 20 ILE HG12 H 1 1.313 0.020 . 2 . . . A 20 ILE HG12 . 19798 1 208 . 1 1 20 20 ILE HG13 H 1 0.760 0.020 . 2 . . . A 20 ILE HG13 . 19798 1 209 . 1 1 20 20 ILE HG21 H 1 1.070 0.020 . 1 . . . A 20 ILE HG21 . 19798 1 210 . 1 1 20 20 ILE HG22 H 1 1.070 0.020 . 1 . . . A 20 ILE HG22 . 19798 1 211 . 1 1 20 20 ILE HG23 H 1 1.070 0.020 . 1 . . . A 20 ILE HG23 . 19798 1 212 . 1 1 20 20 ILE HD11 H 1 0.382 0.020 . 1 . . . A 20 ILE HD11 . 19798 1 213 . 1 1 20 20 ILE HD12 H 1 0.382 0.020 . 1 . . . A 20 ILE HD12 . 19798 1 214 . 1 1 20 20 ILE HD13 H 1 0.382 0.020 . 1 . . . A 20 ILE HD13 . 19798 1 215 . 1 1 20 20 ILE C C 13 174.100 0.3 . 1 . . . A 20 ILE C . 19798 1 216 . 1 1 20 20 ILE CA C 13 60.891 0.3 . 1 . . . A 20 ILE CA . 19798 1 217 . 1 1 20 20 ILE CB C 13 40.500 0.3 . 1 . . . A 20 ILE CB . 19798 1 218 . 1 1 20 20 ILE CG1 C 13 28.584 0.3 . 1 . . . A 20 ILE CG1 . 19798 1 219 . 1 1 20 20 ILE CG2 C 13 18.362 0.3 . 1 . . . A 20 ILE CG2 . 19798 1 220 . 1 1 20 20 ILE CD1 C 13 13.219 0.3 . 1 . . . A 20 ILE CD1 . 19798 1 221 . 1 1 20 20 ILE N N 15 127.750 0.3 . 1 . . . A 20 ILE N . 19798 1 222 . 1 1 21 21 SER H H 1 7.773 0.020 . 1 . . . A 21 SER H . 19798 1 223 . 1 1 21 21 SER HA H 1 5.347 0.020 . 1 . . . A 21 SER HA . 19798 1 224 . 1 1 21 21 SER HB2 H 1 3.769 0.020 . 2 . . . A 21 SER HB2 . 19798 1 225 . 1 1 21 21 SER HB3 H 1 3.771 0.020 . 2 . . . A 21 SER HB3 . 19798 1 226 . 1 1 21 21 SER C C 13 173.400 0.3 . 1 . . . A 21 SER C . 19798 1 227 . 1 1 21 21 SER CA C 13 57.209 0.3 . 1 . . . A 21 SER CA . 19798 1 228 . 1 1 21 21 SER CB C 13 65.885 0.3 . 1 . . . A 21 SER CB . 19798 1 229 . 1 1 21 21 SER N N 15 120.141 0.3 . 1 . . . A 21 SER N . 19798 1 230 . 1 1 22 22 CYS H H 1 8.874 0.020 . 1 . . . A 22 CYS H . 19798 1 231 . 1 1 22 22 CYS HA H 1 5.040 0.020 . 1 . . . A 22 CYS HA . 19798 1 232 . 1 1 22 22 CYS HB2 H 1 3.355 0.020 . 2 . . . A 22 CYS HB2 . 19798 1 233 . 1 1 22 22 CYS HB3 H 1 2.869 0.020 . 2 . . . A 22 CYS HB3 . 19798 1 234 . 1 1 22 22 CYS C C 13 173.900 0.3 . 1 . . . A 22 CYS C . 19798 1 235 . 1 1 22 22 CYS CA C 13 55.278 0.3 . 1 . . . A 22 CYS CA . 19798 1 236 . 1 1 22 22 CYS CB C 13 46.167 0.3 . 1 . . . A 22 CYS CB . 19798 1 237 . 1 1 22 22 CYS N N 15 121.597 0.3 . 1 . . . A 22 CYS N . 19798 1 238 . 1 1 23 23 THR H H 1 9.338 0.020 . 1 . . . A 23 THR H . 19798 1 239 . 1 1 23 23 THR HA H 1 4.647 0.020 . 1 . . . A 23 THR HA . 19798 1 240 . 1 1 23 23 THR HB H 1 3.881 0.020 . 1 . . . A 23 THR HB . 19798 1 241 . 1 1 23 23 THR HG21 H 1 1.335 0.020 . 1 . . . A 23 THR HG21 . 19798 1 242 . 1 1 23 23 THR HG22 H 1 1.335 0.020 . 1 . . . A 23 THR HG22 . 19798 1 243 . 1 1 23 23 THR HG23 H 1 1.335 0.020 . 1 . . . A 23 THR HG23 . 19798 1 244 . 1 1 23 23 THR C C 13 175.500 0.3 . 1 . . . A 23 THR C . 19798 1 245 . 1 1 23 23 THR CA C 13 62.769 0.3 . 1 . . . A 23 THR CA . 19798 1 246 . 1 1 23 23 THR CB C 13 70.084 0.3 . 1 . . . A 23 THR CB . 19798 1 247 . 1 1 23 23 THR CG2 C 13 21.205 0.3 . 1 . . . A 23 THR CG2 . 19798 1 248 . 1 1 23 23 THR N N 15 121.867 0.3 . 1 . . . A 23 THR N . 19798 1 249 . 1 1 24 24 GLY H H 1 9.269 0.020 . 1 . . . A 24 GLY H . 19798 1 250 . 1 1 24 24 GLY HA2 H 1 4.935 0.020 . 2 . . . A 24 GLY HA2 . 19798 1 251 . 1 1 24 24 GLY HA3 H 1 3.386 0.020 . 2 . . . A 24 GLY HA3 . 19798 1 252 . 1 1 24 24 GLY C C 13 173.000 0.3 . 1 . . . A 24 GLY C . 19798 1 253 . 1 1 24 24 GLY CA C 13 44.585 0.3 . 1 . . . A 24 GLY CA . 19798 1 254 . 1 1 24 24 GLY N N 15 115.156 0.3 . 1 . . . A 24 GLY N . 19798 1 255 . 1 1 25 25 SER H H 1 8.475 0.020 . 1 . . . A 25 SER H . 19798 1 256 . 1 1 25 25 SER HA H 1 4.682 0.020 . 1 . . . A 25 SER HA . 19798 1 257 . 1 1 25 25 SER HB2 H 1 3.823 0.020 . 1 . . . A 25 SER HB2 . 19798 1 258 . 1 1 25 25 SER HB3 H 1 3.823 0.020 . 1 . . . A 25 SER HB3 . 19798 1 259 . 1 1 25 25 SER C C 13 173.100 0.3 . 1 . . . A 25 SER C . 19798 1 260 . 1 1 25 25 SER CA C 13 58.168 0.3 . 1 . . . A 25 SER CA . 19798 1 261 . 1 1 25 25 SER CB C 13 64.695 0.3 . 1 . . . A 25 SER CB . 19798 1 262 . 1 1 25 25 SER N N 15 117.074 0.3 . 1 . . . A 25 SER N . 19798 1 263 . 1 1 26 26 SER H H 1 8.770 0.020 . 1 . . . A 26 SER H . 19798 1 264 . 1 1 26 26 SER HA H 1 5.019 0.020 . 1 . . . A 26 SER HA . 19798 1 265 . 1 1 26 26 SER HB2 H 1 4.144 0.020 . 2 . . . A 26 SER HB2 . 19798 1 266 . 1 1 26 26 SER HB3 H 1 4.115 0.020 . 2 . . . A 26 SER HB3 . 19798 1 267 . 1 1 26 26 SER C C 13 173.900 0.3 . 1 . . . A 26 SER C . 19798 1 268 . 1 1 26 26 SER CA C 13 58.898 0.3 . 1 . . . A 26 SER CA . 19798 1 269 . 1 1 26 26 SER CB C 13 61.808 0.3 . 1 . . . A 26 SER CB . 19798 1 270 . 1 1 26 26 SER N N 15 114.436 0.3 . 1 . . . A 26 SER N . 19798 1 271 . 1 1 27 27 GLY H H 1 7.836 0.020 . 1 . . . A 27 GLY H . 19798 1 272 . 1 1 27 27 GLY HA2 H 1 3.974 0.020 . 2 . . . A 27 GLY HA2 . 19798 1 273 . 1 1 27 27 GLY HA3 H 1 3.757 0.020 . 2 . . . A 27 GLY HA3 . 19798 1 274 . 1 1 27 27 GLY C C 13 172.100 0.3 . 1 . . . A 27 GLY C . 19798 1 275 . 1 1 27 27 GLY CA C 13 44.427 0.3 . 1 . . . A 27 GLY CA . 19798 1 276 . 1 1 27 27 GLY N N 15 105.594 0.3 . 1 . . . A 27 GLY N . 19798 1 277 . 1 1 28 28 SER H H 1 8.213 0.020 . 1 . . . A 28 SER H . 19798 1 278 . 1 1 28 28 SER HA H 1 4.990 0.020 . 1 . . . A 28 SER HA . 19798 1 279 . 1 1 28 28 SER HB2 H 1 3.750 0.020 . 1 . . . A 28 SER HB2 . 19798 1 280 . 1 1 28 28 SER HB3 H 1 3.750 0.020 . 1 . . . A 28 SER HB3 . 19798 1 281 . 1 1 28 28 SER C C 13 176.500 0.3 . 1 . . . A 28 SER C . 19798 1 282 . 1 1 28 28 SER CA C 13 56.206 0.3 . 1 . . . A 28 SER CA . 19798 1 283 . 1 1 28 28 SER CB C 13 63.800 0.3 . 1 . . . A 28 SER CB . 19798 1 284 . 1 1 28 28 SER N N 15 116.379 0.3 . 1 . . . A 28 SER N . 19798 1 285 . 1 1 29 29 ILE H H 1 9.542 0.020 . 1 . . . A 29 ILE H . 19798 1 286 . 1 1 29 29 ILE HA H 1 4.180 0.020 . 1 . . . A 29 ILE HA . 19798 1 287 . 1 1 29 29 ILE HB H 1 1.437 0.020 . 1 . . . A 29 ILE HB . 19798 1 288 . 1 1 29 29 ILE HG12 H 1 1.550 0.020 . 2 . . . A 29 ILE HG12 . 19798 1 289 . 1 1 29 29 ILE HG13 H 1 1.212 0.020 . 2 . . . A 29 ILE HG13 . 19798 1 290 . 1 1 29 29 ILE HG21 H 1 0.803 0.020 . 1 . . . A 29 ILE HG21 . 19798 1 291 . 1 1 29 29 ILE HG22 H 1 0.803 0.020 . 1 . . . A 29 ILE HG22 . 19798 1 292 . 1 1 29 29 ILE HG23 H 1 0.803 0.020 . 1 . . . A 29 ILE HG23 . 19798 1 293 . 1 1 29 29 ILE HD11 H 1 0.798 0.020 . 1 . . . A 29 ILE HD11 . 19798 1 294 . 1 1 29 29 ILE HD12 H 1 0.798 0.020 . 1 . . . A 29 ILE HD12 . 19798 1 295 . 1 1 29 29 ILE HD13 H 1 0.798 0.020 . 1 . . . A 29 ILE HD13 . 19798 1 296 . 1 1 29 29 ILE C C 13 174.600 0.3 . 1 . . . A 29 ILE C . 19798 1 297 . 1 1 29 29 ILE CA C 13 61.000 0.3 . 1 . . . A 29 ILE CA . 19798 1 298 . 1 1 29 29 ILE CB C 13 40.000 0.3 . 1 . . . A 29 ILE CB . 19798 1 299 . 1 1 29 29 ILE CG1 C 13 28.800 0.3 . 1 . . . A 29 ILE CG1 . 19798 1 300 . 1 1 29 29 ILE CG2 C 13 17.659 0.3 . 1 . . . A 29 ILE CG2 . 19798 1 301 . 1 1 29 29 ILE CD1 C 13 14.690 0.3 . 1 . . . A 29 ILE CD1 . 19798 1 302 . 1 1 29 29 ILE N N 15 130.936 0.3 . 1 . . . A 29 ILE N . 19798 1 303 . 1 1 30 30 ALA H H 1 7.697 0.020 . 1 . . . A 30 ALA H . 19798 1 304 . 1 1 30 30 ALA HA H 1 4.389 0.020 . 1 . . . A 30 ALA HA . 19798 1 305 . 1 1 30 30 ALA HB1 H 1 1.229 0.020 . 1 . . . A 30 ALA HB1 . 19798 1 306 . 1 1 30 30 ALA HB2 H 1 1.229 0.020 . 1 . . . A 30 ALA HB2 . 19798 1 307 . 1 1 30 30 ALA HB3 H 1 1.229 0.020 . 1 . . . A 30 ALA HB3 . 19798 1 308 . 1 1 30 30 ALA C C 13 178.200 0.3 . 1 . . . A 30 ALA C . 19798 1 309 . 1 1 30 30 ALA CA C 13 51.304 0.3 . 1 . . . A 30 ALA CA . 19798 1 310 . 1 1 30 30 ALA CB C 13 18.291 0.3 . 1 . . . A 30 ALA CB . 19798 1 311 . 1 1 30 30 ALA N N 15 119.879 0.3 . 1 . . . A 30 ALA N . 19798 1 312 . 1 1 31 31 SER H H 1 7.542 0.020 . 1 . . . A 31 SER H . 19798 1 313 . 1 1 31 31 SER HA H 1 4.002 0.020 . 1 . . . A 31 SER HA . 19798 1 314 . 1 1 31 31 SER HB2 H 1 3.759 0.020 . 1 . . . A 31 SER HB2 . 19798 1 315 . 1 1 31 31 SER HB3 H 1 3.759 0.020 . 1 . . . A 31 SER HB3 . 19798 1 316 . 1 1 31 31 SER C C 13 173.000 0.3 . 1 . . . A 31 SER C . 19798 1 317 . 1 1 31 31 SER CA C 13 60.900 0.3 . 1 . . . A 31 SER CA . 19798 1 318 . 1 1 31 31 SER CB C 13 63.600 0.3 . 1 . . . A 31 SER CB . 19798 1 319 . 1 1 31 31 SER N N 15 113.293 0.3 . 1 . . . A 31 SER N . 19798 1 320 . 1 1 32 32 ASN H H 1 7.484 0.020 . 1 . . . A 32 ASN H . 19798 1 321 . 1 1 32 32 ASN HA H 1 4.648 0.020 . 1 . . . A 32 ASN HA . 19798 1 322 . 1 1 32 32 ASN HB2 H 1 2.622 0.020 . 2 . . . A 32 ASN HB2 . 19798 1 323 . 1 1 32 32 ASN HB3 H 1 2.525 0.020 . 2 . . . A 32 ASN HB3 . 19798 1 324 . 1 1 32 32 ASN HD21 H 1 7.481 0.020 . 1 . . . A 32 ASN HD21 . 19798 1 325 . 1 1 32 32 ASN HD22 H 1 6.724 0.020 . 1 . . . A 32 ASN HD22 . 19798 1 326 . 1 1 32 32 ASN C C 13 173.400 0.3 . 1 . . . A 32 ASN C . 19798 1 327 . 1 1 32 32 ASN CA C 13 51.770 0.3 . 1 . . . A 32 ASN CA . 19798 1 328 . 1 1 32 32 ASN CB C 13 43.836 0.3 . 1 . . . A 32 ASN CB . 19798 1 329 . 1 1 32 32 ASN N N 15 117.430 0.3 . 1 . . . A 32 ASN N . 19798 1 330 . 1 1 32 32 ASN ND2 N 15 116.542 0.3 . 1 . . . A 32 ASN ND2 . 19798 1 331 . 1 1 33 33 TYR H H 1 8.454 0.020 . 1 . . . A 33 TYR H . 19798 1 332 . 1 1 33 33 TYR HA H 1 4.934 0.020 . 1 . . . A 33 TYR HA . 19798 1 333 . 1 1 33 33 TYR HB2 H 1 3.317 0.020 . 2 . . . A 33 TYR HB2 . 19798 1 334 . 1 1 33 33 TYR HB3 H 1 2.682 0.020 . 2 . . . A 33 TYR HB3 . 19798 1 335 . 1 1 33 33 TYR HD1 H 1 7.233 0.020 . 3 . . . A 33 TYR HD1 . 19798 1 336 . 1 1 33 33 TYR HD2 H 1 7.200 0.020 . 3 . . . A 33 TYR HD2 . 19798 1 337 . 1 1 33 33 TYR HE1 H 1 6.900 0.020 . 3 . . . A 33 TYR HE1 . 19798 1 338 . 1 1 33 33 TYR HE2 H 1 6.852 0.020 . 3 . . . A 33 TYR HE2 . 19798 1 339 . 1 1 33 33 TYR C C 13 178.400 0.3 . 1 . . . A 33 TYR C . 19798 1 340 . 1 1 33 33 TYR CA C 13 57.855 0.3 . 1 . . . A 33 TYR CA . 19798 1 341 . 1 1 33 33 TYR CB C 13 40.226 0.3 . 1 . . . A 33 TYR CB . 19798 1 342 . 1 1 33 33 TYR N N 15 117.143 0.3 . 1 . . . A 33 TYR N . 19798 1 343 . 1 1 34 34 VAL H H 1 9.552 0.020 . 1 . . . A 34 VAL H . 19798 1 344 . 1 1 34 34 VAL HA H 1 4.527 0.020 . 1 . . . A 34 VAL HA . 19798 1 345 . 1 1 34 34 VAL HB H 1 2.005 0.020 . 1 . . . A 34 VAL HB . 19798 1 346 . 1 1 34 34 VAL HG11 H 1 0.403 0.020 . 2 . . . A 34 VAL HG11 . 19798 1 347 . 1 1 34 34 VAL HG12 H 1 0.403 0.020 . 2 . . . A 34 VAL HG12 . 19798 1 348 . 1 1 34 34 VAL HG13 H 1 0.403 0.020 . 2 . . . A 34 VAL HG13 . 19798 1 349 . 1 1 34 34 VAL HG21 H 1 0.880 0.020 . 2 . . . A 34 VAL HG21 . 19798 1 350 . 1 1 34 34 VAL HG22 H 1 0.880 0.020 . 2 . . . A 34 VAL HG22 . 19798 1 351 . 1 1 34 34 VAL HG23 H 1 0.880 0.020 . 2 . . . A 34 VAL HG23 . 19798 1 352 . 1 1 34 34 VAL C C 13 174.000 0.3 . 1 . . . A 34 VAL C . 19798 1 353 . 1 1 34 34 VAL CA C 13 61.197 0.3 . 1 . . . A 34 VAL CA . 19798 1 354 . 1 1 34 34 VAL CB C 13 33.400 0.3 . 1 . . . A 34 VAL CB . 19798 1 355 . 1 1 34 34 VAL CG1 C 13 21.234 0.3 . 1 . . . A 34 VAL CG1 . 19798 1 356 . 1 1 34 34 VAL CG2 C 13 21.339 0.3 . 1 . . . A 34 VAL CG2 . 19798 1 357 . 1 1 34 34 VAL N N 15 127.298 0.3 . 1 . . . A 34 VAL N . 19798 1 358 . 1 1 35 35 GLN H H 1 8.674 0.020 . 1 . . . A 35 GLN H . 19798 1 359 . 1 1 35 35 GLN HA H 1 4.864 0.020 . 1 . . . A 35 GLN HA . 19798 1 360 . 1 1 35 35 GLN HB2 H 1 1.779 0.020 . 1 . . . A 35 GLN HB2 . 19798 1 361 . 1 1 35 35 GLN HB3 H 1 1.779 0.020 . 1 . . . A 35 GLN HB3 . 19798 1 362 . 1 1 35 35 GLN HG2 H 1 2.464 0.020 . 1 . . . A 35 GLN HG2 . 19798 1 363 . 1 1 35 35 GLN HG3 H 1 2.464 0.020 . 1 . . . A 35 GLN HG3 . 19798 1 364 . 1 1 35 35 GLN C C 13 174.300 0.3 . 1 . . . A 35 GLN C . 19798 1 365 . 1 1 35 35 GLN CA C 13 53.061 0.3 . 1 . . . A 35 GLN CA . 19798 1 366 . 1 1 35 35 GLN CB C 13 33.484 0.3 . 1 . . . A 35 GLN CB . 19798 1 367 . 1 1 35 35 GLN CG C 13 36.500 0.3 . 1 . . . A 35 GLN CG . 19798 1 368 . 1 1 35 35 GLN N N 15 125.533 0.3 . 1 . . . A 35 GLN N . 19798 1 369 . 1 1 36 36 TRP H H 1 9.083 0.020 . 1 . . . A 36 TRP H . 19798 1 370 . 1 1 36 36 TRP HA H 1 5.481 0.020 . 1 . . . A 36 TRP HA . 19798 1 371 . 1 1 36 36 TRP HB2 H 1 2.949 0.020 . 2 . . . A 36 TRP HB2 . 19798 1 372 . 1 1 36 36 TRP HB3 H 1 2.775 0.020 . 2 . . . A 36 TRP HB3 . 19798 1 373 . 1 1 36 36 TRP HD1 H 1 6.582 0.020 . 1 . . . A 36 TRP HD1 . 19798 1 374 . 1 1 36 36 TRP HE1 H 1 10.256 0.020 . 1 . . . A 36 TRP HE1 . 19798 1 375 . 1 1 36 36 TRP HE3 H 1 7.256 0.020 . 1 . . . A 36 TRP HE3 . 19798 1 376 . 1 1 36 36 TRP HZ2 H 1 7.060 0.020 . 1 . . . A 36 TRP HZ2 . 19798 1 377 . 1 1 36 36 TRP HZ3 H 1 6.760 0.020 . 1 . . . A 36 TRP HZ3 . 19798 1 378 . 1 1 36 36 TRP HH2 H 1 6.860 0.020 . 1 . . . A 36 TRP HH2 . 19798 1 379 . 1 1 36 36 TRP C C 13 175.700 0.3 . 1 . . . A 36 TRP C . 19798 1 380 . 1 1 36 36 TRP CA C 13 55.700 0.3 . 1 . . . A 36 TRP CA . 19798 1 381 . 1 1 36 36 TRP CB C 13 33.300 0.3 . 1 . . . A 36 TRP CB . 19798 1 382 . 1 1 36 36 TRP N N 15 117.867 0.3 . 1 . . . A 36 TRP N . 19798 1 383 . 1 1 36 36 TRP NE1 N 15 131.044 0.3 . 1 . . . A 36 TRP NE1 . 19798 1 384 . 1 1 37 37 TYR H H 1 9.607 0.020 . 1 . . . A 37 TYR H . 19798 1 385 . 1 1 37 37 TYR HA H 1 5.497 0.020 . 1 . . . A 37 TYR HA . 19798 1 386 . 1 1 37 37 TYR HB2 H 1 2.766 0.020 . 2 . . . A 37 TYR HB2 . 19798 1 387 . 1 1 37 37 TYR HB3 H 1 2.564 0.020 . 2 . . . A 37 TYR HB3 . 19798 1 388 . 1 1 37 37 TYR HD1 H 1 6.741 0.020 . 3 . . . A 37 TYR HD1 . 19798 1 389 . 1 1 37 37 TYR HD2 H 1 6.702 0.020 . 3 . . . A 37 TYR HD2 . 19798 1 390 . 1 1 37 37 TYR HE1 H 1 6.820 0.020 . 1 . . . A 37 TYR HE1 . 19798 1 391 . 1 1 37 37 TYR HE2 H 1 6.820 0.020 . 1 . . . A 37 TYR HE2 . 19798 1 392 . 1 1 37 37 TYR C C 13 174.600 0.3 . 1 . . . A 37 TYR C . 19798 1 393 . 1 1 37 37 TYR CA C 13 56.200 0.3 . 1 . . . A 37 TYR CA . 19798 1 394 . 1 1 37 37 TYR CB C 13 40.967 0.3 . 1 . . . A 37 TYR CB . 19798 1 395 . 1 1 37 37 TYR N N 15 119.988 0.3 . 1 . . . A 37 TYR N . 19798 1 396 . 1 1 38 38 GLN H H 1 9.410 0.020 . 1 . . . A 38 GLN H . 19798 1 397 . 1 1 38 38 GLN HA H 1 4.340 0.020 . 1 . . . A 38 GLN HA . 19798 1 398 . 1 1 38 38 GLN HB2 H 1 1.470 0.020 . 1 . . . A 38 GLN HB2 . 19798 1 399 . 1 1 38 38 GLN HB3 H 1 1.470 0.020 . 1 . . . A 38 GLN HB3 . 19798 1 400 . 1 1 38 38 GLN HG2 H 1 1.590 0.020 . 1 . . . A 38 GLN HG2 . 19798 1 401 . 1 1 38 38 GLN HG3 H 1 1.590 0.020 . 1 . . . A 38 GLN HG3 . 19798 1 402 . 1 1 38 38 GLN HE21 H 1 7.870 0.020 . 1 . . . A 38 GLN HE21 . 19798 1 403 . 1 1 38 38 GLN HE22 H 1 7.621 0.020 . 1 . . . A 38 GLN HE22 . 19798 1 404 . 1 1 38 38 GLN C C 13 174.000 0.3 . 1 . . . A 38 GLN C . 19798 1 405 . 1 1 38 38 GLN CA C 13 54.090 0.3 . 1 . . . A 38 GLN CA . 19798 1 406 . 1 1 38 38 GLN CB C 13 34.927 0.3 . 1 . . . A 38 GLN CB . 19798 1 407 . 1 1 38 38 GLN CG C 13 35.600 0.3 . 1 . . . A 38 GLN CG . 19798 1 408 . 1 1 38 38 GLN N N 15 122.674 0.3 . 1 . . . A 38 GLN N . 19798 1 409 . 1 1 38 38 GLN NE2 N 15 112.781 0.3 . 1 . . . A 38 GLN NE2 . 19798 1 410 . 1 1 39 39 GLN H H 1 9.497 0.020 . 1 . . . A 39 GLN H . 19798 1 411 . 1 1 39 39 GLN HA H 1 4.806 0.020 . 1 . . . A 39 GLN HA . 19798 1 412 . 1 1 39 39 GLN HB2 H 1 1.929 0.020 . 1 . . . A 39 GLN HB2 . 19798 1 413 . 1 1 39 39 GLN HB3 H 1 1.929 0.020 . 1 . . . A 39 GLN HB3 . 19798 1 414 . 1 1 39 39 GLN HG2 H 1 2.236 0.020 . 1 . . . A 39 GLN HG2 . 19798 1 415 . 1 1 39 39 GLN HG3 H 1 2.236 0.020 . 1 . . . A 39 GLN HG3 . 19798 1 416 . 1 1 39 39 GLN HE21 H 1 7.547 0.020 . 1 . . . A 39 GLN HE21 . 19798 1 417 . 1 1 39 39 GLN HE22 H 1 6.896 0.020 . 1 . . . A 39 GLN HE22 . 19798 1 418 . 1 1 39 39 GLN C C 13 175.100 0.3 . 1 . . . A 39 GLN C . 19798 1 419 . 1 1 39 39 GLN CA C 13 54.401 0.3 . 1 . . . A 39 GLN CA . 19798 1 420 . 1 1 39 39 GLN CB C 13 31.730 0.3 . 1 . . . A 39 GLN CB . 19798 1 421 . 1 1 39 39 GLN CG C 13 33.600 0.3 . 1 . . . A 39 GLN CG . 19798 1 422 . 1 1 39 39 GLN N N 15 128.281 0.3 . 1 . . . A 39 GLN N . 19798 1 423 . 1 1 39 39 GLN NE2 N 15 112.731 0.3 . 1 . . . A 39 GLN NE2 . 19798 1 424 . 1 1 41 41 PRO HA H 1 4.332 0.020 . 1 . . . A 41 PRO HA . 19798 1 425 . 1 1 41 41 PRO HB2 H 1 2.250 0.020 . 2 . . . A 41 PRO HB2 . 19798 1 426 . 1 1 41 41 PRO HB3 H 1 1.838 0.020 . 2 . . . A 41 PRO HB3 . 19798 1 427 . 1 1 41 41 PRO HG2 H 1 2.093 0.020 . 2 . . . A 41 PRO HG2 . 19798 1 428 . 1 1 41 41 PRO HG3 H 1 2.024 0.020 . 2 . . . A 41 PRO HG3 . 19798 1 429 . 1 1 41 41 PRO HD2 H 1 3.850 0.020 . 2 . . . A 41 PRO HD2 . 19798 1 430 . 1 1 41 41 PRO HD3 H 1 3.580 0.020 . 2 . . . A 41 PRO HD3 . 19798 1 431 . 1 1 41 41 PRO C C 13 178.700 0.3 . 1 . . . A 41 PRO C . 19798 1 432 . 1 1 41 41 PRO CA C 13 65.123 0.3 . 1 . . . A 41 PRO CA . 19798 1 433 . 1 1 41 41 PRO CB C 13 31.156 0.3 . 1 . . . A 41 PRO CB . 19798 1 434 . 1 1 42 42 GLY H H 1 8.860 0.020 . 1 . . . A 42 GLY H . 19798 1 435 . 1 1 42 42 GLY HA2 H 1 4.095 0.020 . 2 . . . A 42 GLY HA2 . 19798 1 436 . 1 1 42 42 GLY HA3 H 1 3.778 0.020 . 2 . . . A 42 GLY HA3 . 19798 1 437 . 1 1 42 42 GLY C C 13 174.200 0.3 . 1 . . . A 42 GLY C . 19798 1 438 . 1 1 42 42 GLY CA C 13 45.426 0.3 . 1 . . . A 42 GLY CA . 19798 1 439 . 1 1 42 42 GLY N N 15 113.803 0.3 . 1 . . . A 42 GLY N . 19798 1 440 . 1 1 43 43 SER H H 1 7.935 0.020 . 1 . . . A 43 SER H . 19798 1 441 . 1 1 43 43 SER HA H 1 4.990 0.020 . 1 . . . A 43 SER HA . 19798 1 442 . 1 1 43 43 SER HB2 H 1 3.895 0.020 . 2 . . . A 43 SER HB2 . 19798 1 443 . 1 1 43 43 SER HB3 H 1 3.733 0.020 . 2 . . . A 43 SER HB3 . 19798 1 444 . 1 1 43 43 SER C C 13 173.200 0.3 . 1 . . . A 43 SER C . 19798 1 445 . 1 1 43 43 SER CA C 13 56.900 0.3 . 1 . . . A 43 SER CA . 19798 1 446 . 1 1 43 43 SER CB C 13 65.328 0.3 . 1 . . . A 43 SER CB . 19798 1 447 . 1 1 43 43 SER N N 15 114.946 0.3 . 1 . . . A 43 SER N . 19798 1 448 . 1 1 44 44 SER H H 1 8.405 0.020 . 1 . . . A 44 SER H . 19798 1 449 . 1 1 44 44 SER HA H 1 4.560 0.020 . 1 . . . A 44 SER HA . 19798 1 450 . 1 1 44 44 SER HB2 H 1 3.920 0.020 . 2 . . . A 44 SER HB2 . 19798 1 451 . 1 1 44 44 SER HB3 H 1 3.890 0.020 . 2 . . . A 44 SER HB3 . 19798 1 452 . 1 1 44 44 SER C C 13 173.700 0.3 . 1 . . . A 44 SER C . 19798 1 453 . 1 1 44 44 SER CA C 13 57.900 0.3 . 1 . . . A 44 SER CA . 19798 1 454 . 1 1 44 44 SER CB C 13 64.800 0.3 . 1 . . . A 44 SER CB . 19798 1 455 . 1 1 44 44 SER N N 15 116.348 0.3 . 1 . . . A 44 SER N . 19798 1 456 . 1 1 45 45 PRO HA H 1 4.380 0.020 . 1 . . . A 45 PRO HA . 19798 1 457 . 1 1 45 45 PRO HB2 H 1 2.250 0.020 . 2 . . . A 45 PRO HB2 . 19798 1 458 . 1 1 45 45 PRO HB3 H 1 1.900 0.020 . 2 . . . A 45 PRO HB3 . 19798 1 459 . 1 1 45 45 PRO HG2 H 1 1.980 0.020 . 1 . . . A 45 PRO HG2 . 19798 1 460 . 1 1 45 45 PRO HG3 H 1 1.980 0.020 . 1 . . . A 45 PRO HG3 . 19798 1 461 . 1 1 45 45 PRO HD2 H 1 3.760 0.020 . 2 . . . A 45 PRO HD2 . 19798 1 462 . 1 1 45 45 PRO HD3 H 1 3.650 0.020 . 2 . . . A 45 PRO HD3 . 19798 1 463 . 1 1 45 45 PRO C C 13 176.400 0.3 . 1 . . . A 45 PRO C . 19798 1 464 . 1 1 45 45 PRO CA C 13 63.600 0.3 . 1 . . . A 45 PRO CA . 19798 1 465 . 1 1 45 45 PRO CB C 13 32.200 0.3 . 1 . . . A 45 PRO CB . 19798 1 466 . 1 1 46 46 THR H H 1 9.185 0.020 . 1 . . . A 46 THR H . 19798 1 467 . 1 1 46 46 THR HA H 1 4.757 0.020 . 1 . . . A 46 THR HA . 19798 1 468 . 1 1 46 46 THR HB H 1 4.163 0.020 . 1 . . . A 46 THR HB . 19798 1 469 . 1 1 46 46 THR HG21 H 1 1.150 0.020 . 1 . . . A 46 THR HG21 . 19798 1 470 . 1 1 46 46 THR HG22 H 1 1.150 0.020 . 1 . . . A 46 THR HG22 . 19798 1 471 . 1 1 46 46 THR HG23 H 1 1.150 0.020 . 1 . . . A 46 THR HG23 . 19798 1 472 . 1 1 46 46 THR C C 13 174.200 0.3 . 1 . . . A 46 THR C . 19798 1 473 . 1 1 46 46 THR CA C 13 60.700 0.3 . 1 . . . A 46 THR CA . 19798 1 474 . 1 1 46 46 THR CB C 13 70.369 0.3 . 1 . . . A 46 THR CB . 19798 1 475 . 1 1 46 46 THR CG2 C 13 20.812 0.3 . 1 . . . A 46 THR CG2 . 19798 1 476 . 1 1 46 46 THR N N 15 116.741 0.3 . 1 . . . A 46 THR N . 19798 1 477 . 1 1 47 47 THR H H 1 8.954 0.020 . 1 . . . A 47 THR H . 19798 1 478 . 1 1 47 47 THR HA H 1 4.098 0.020 . 1 . . . A 47 THR HA . 19798 1 479 . 1 1 47 47 THR HB H 1 3.894 0.020 . 1 . . . A 47 THR HB . 19798 1 480 . 1 1 47 47 THR HG21 H 1 1.011 0.020 . 1 . . . A 47 THR HG21 . 19798 1 481 . 1 1 47 47 THR HG22 H 1 1.011 0.020 . 1 . . . A 47 THR HG22 . 19798 1 482 . 1 1 47 47 THR HG23 H 1 1.011 0.020 . 1 . . . A 47 THR HG23 . 19798 1 483 . 1 1 47 47 THR C C 13 174.900 0.3 . 1 . . . A 47 THR C . 19798 1 484 . 1 1 47 47 THR CA C 13 64.212 0.3 . 1 . . . A 47 THR CA . 19798 1 485 . 1 1 47 47 THR CB C 13 68.443 0.3 . 1 . . . A 47 THR CB . 19798 1 486 . 1 1 47 47 THR CG2 C 13 22.306 0.3 . 1 . . . A 47 THR CG2 . 19798 1 487 . 1 1 47 47 THR N N 15 123.309 0.3 . 1 . . . A 47 THR N . 19798 1 488 . 1 1 48 48 VAL H H 1 8.981 0.020 . 1 . . . A 48 VAL H . 19798 1 489 . 1 1 48 48 VAL HA H 1 4.453 0.020 . 1 . . . A 48 VAL HA . 19798 1 490 . 1 1 48 48 VAL HB H 1 1.669 0.020 . 1 . . . A 48 VAL HB . 19798 1 491 . 1 1 48 48 VAL HG11 H 1 0.490 0.020 . 2 . . . A 48 VAL HG11 . 19798 1 492 . 1 1 48 48 VAL HG12 H 1 0.490 0.020 . 2 . . . A 48 VAL HG12 . 19798 1 493 . 1 1 48 48 VAL HG13 H 1 0.490 0.020 . 2 . . . A 48 VAL HG13 . 19798 1 494 . 1 1 48 48 VAL HG21 H 1 0.760 0.020 . 2 . . . A 48 VAL HG21 . 19798 1 495 . 1 1 48 48 VAL HG22 H 1 0.760 0.020 . 2 . . . A 48 VAL HG22 . 19798 1 496 . 1 1 48 48 VAL HG23 H 1 0.760 0.020 . 2 . . . A 48 VAL HG23 . 19798 1 497 . 1 1 48 48 VAL C C 13 172.700 0.3 . 1 . . . A 48 VAL C . 19798 1 498 . 1 1 48 48 VAL CA C 13 61.592 0.3 . 1 . . . A 48 VAL CA . 19798 1 499 . 1 1 48 48 VAL CB C 13 33.600 0.3 . 1 . . . A 48 VAL CB . 19798 1 500 . 1 1 48 48 VAL CG1 C 13 22.483 0.3 . 1 . . . A 48 VAL CG1 . 19798 1 501 . 1 1 48 48 VAL CG2 C 13 19.851 0.3 . 1 . . . A 48 VAL CG2 . 19798 1 502 . 1 1 48 48 VAL N N 15 121.193 0.3 . 1 . . . A 48 VAL N . 19798 1 503 . 1 1 49 49 ILE H H 1 7.282 0.020 . 1 . . . A 49 ILE H . 19798 1 504 . 1 1 49 49 ILE HA H 1 5.108 0.020 . 1 . . . A 49 ILE HA . 19798 1 505 . 1 1 49 49 ILE HB H 1 1.907 0.020 . 1 . . . A 49 ILE HB . 19798 1 506 . 1 1 49 49 ILE HG12 H 1 1.290 0.020 . 2 . . . A 49 ILE HG12 . 19798 1 507 . 1 1 49 49 ILE HG13 H 1 1.006 0.020 . 2 . . . A 49 ILE HG13 . 19798 1 508 . 1 1 49 49 ILE HG21 H 1 0.738 0.020 . 1 . . . A 49 ILE HG21 . 19798 1 509 . 1 1 49 49 ILE HG22 H 1 0.738 0.020 . 1 . . . A 49 ILE HG22 . 19798 1 510 . 1 1 49 49 ILE HG23 H 1 0.738 0.020 . 1 . . . A 49 ILE HG23 . 19798 1 511 . 1 1 49 49 ILE HD11 H 1 0.516 0.020 . 1 . . . A 49 ILE HD11 . 19798 1 512 . 1 1 49 49 ILE HD12 H 1 0.516 0.020 . 1 . . . A 49 ILE HD12 . 19798 1 513 . 1 1 49 49 ILE HD13 H 1 0.516 0.020 . 1 . . . A 49 ILE HD13 . 19798 1 514 . 1 1 49 49 ILE C C 13 175.000 0.3 . 1 . . . A 49 ILE C . 19798 1 515 . 1 1 49 49 ILE CA C 13 56.400 0.3 . 1 . . . A 49 ILE CA . 19798 1 516 . 1 1 49 49 ILE CB C 13 41.300 0.3 . 1 . . . A 49 ILE CB . 19798 1 517 . 1 1 49 49 ILE CG1 C 13 27.400 0.3 . 1 . . . A 49 ILE CG1 . 19798 1 518 . 1 1 49 49 ILE CG2 C 13 17.573 0.3 . 1 . . . A 49 ILE CG2 . 19798 1 519 . 1 1 49 49 ILE CD1 C 13 8.793 0.3 . 1 . . . A 49 ILE CD1 . 19798 1 520 . 1 1 49 49 ILE N N 15 116.585 0.3 . 1 . . . A 49 ILE N . 19798 1 521 . 1 1 50 50 TYR H H 1 9.438 0.020 . 1 . . . A 50 TYR H . 19798 1 522 . 1 1 50 50 TYR HA H 1 5.104 0.020 . 1 . . . A 50 TYR HA . 19798 1 523 . 1 1 50 50 TYR HB2 H 1 3.015 0.020 . 2 . . . A 50 TYR HB2 . 19798 1 524 . 1 1 50 50 TYR HB3 H 1 2.780 0.020 . 2 . . . A 50 TYR HB3 . 19798 1 525 . 1 1 50 50 TYR HD1 H 1 6.671 0.020 . 3 . . . A 50 TYR HD1 . 19798 1 526 . 1 1 50 50 TYR HD2 H 1 6.644 0.020 . 3 . . . A 50 TYR HD2 . 19798 1 527 . 1 1 50 50 TYR HE1 H 1 6.274 0.020 . 3 . . . A 50 TYR HE1 . 19798 1 528 . 1 1 50 50 TYR HE2 H 1 6.370 0.020 . 3 . . . A 50 TYR HE2 . 19798 1 529 . 1 1 50 50 TYR C C 13 172.600 0.3 . 1 . . . A 50 TYR C . 19798 1 530 . 1 1 50 50 TYR CA C 13 54.900 0.3 . 1 . . . A 50 TYR CA . 19798 1 531 . 1 1 50 50 TYR CB C 13 41.200 0.3 . 1 . . . A 50 TYR CB . 19798 1 532 . 1 1 50 50 TYR N N 15 123.350 0.3 . 1 . . . A 50 TYR N . 19798 1 533 . 1 1 51 51 GLU H H 1 9.183 0.020 . 1 . . . A 51 GLU H . 19798 1 534 . 1 1 51 51 GLU HA H 1 3.014 0.020 . 1 . . . A 51 GLU HA . 19798 1 535 . 1 1 51 51 GLU HB2 H 1 1.560 0.020 . 2 . . . A 51 GLU HB2 . 19798 1 536 . 1 1 51 51 GLU HB3 H 1 1.450 0.020 . 2 . . . A 51 GLU HB3 . 19798 1 537 . 1 1 51 51 GLU HG2 H 1 1.832 0.020 . 2 . . . A 51 GLU HG2 . 19798 1 538 . 1 1 51 51 GLU HG3 H 1 1.750 0.020 . 2 . . . A 51 GLU HG3 . 19798 1 539 . 1 1 51 51 GLU C C 13 176.600 0.3 . 1 . . . A 51 GLU C . 19798 1 540 . 1 1 51 51 GLU CA C 13 57.400 0.3 . 1 . . . A 51 GLU CA . 19798 1 541 . 1 1 51 51 GLU CB C 13 26.800 0.3 . 1 . . . A 51 GLU CB . 19798 1 542 . 1 1 51 51 GLU CG C 13 35.789 0.3 . 1 . . . A 51 GLU CG . 19798 1 543 . 1 1 51 51 GLU N N 15 116.382 0.3 . 1 . . . A 51 GLU N . 19798 1 544 . 1 1 52 52 ASP H H 1 8.913 0.020 . 1 . . . A 52 ASP H . 19798 1 545 . 1 1 52 52 ASP HA H 1 4.138 0.020 . 1 . . . A 52 ASP HA . 19798 1 546 . 1 1 52 52 ASP HB2 H 1 2.401 0.020 . 2 . . . A 52 ASP HB2 . 19798 1 547 . 1 1 52 52 ASP HB3 H 1 2.386 0.020 . 2 . . . A 52 ASP HB3 . 19798 1 548 . 1 1 52 52 ASP C C 13 177.700 0.3 . 1 . . . A 52 ASP C . 19798 1 549 . 1 1 52 52 ASP CA C 13 59.300 0.3 . 1 . . . A 52 ASP CA . 19798 1 550 . 1 1 52 52 ASP CB C 13 38.700 0.3 . 1 . . . A 52 ASP CB . 19798 1 551 . 1 1 52 52 ASP N N 15 113.602 0.3 . 1 . . . A 52 ASP N . 19798 1 552 . 1 1 53 53 ASN H H 1 8.735 0.020 . 1 . . . A 53 ASN H . 19798 1 553 . 1 1 53 53 ASN HA H 1 4.433 0.020 . 1 . . . A 53 ASN HA . 19798 1 554 . 1 1 53 53 ASN HB2 H 1 3.158 0.020 . 2 . . . A 53 ASN HB2 . 19798 1 555 . 1 1 53 53 ASN HB3 H 1 2.589 0.020 . 2 . . . A 53 ASN HB3 . 19798 1 556 . 1 1 53 53 ASN HD21 H 1 7.527 0.020 . 1 . . . A 53 ASN HD21 . 19798 1 557 . 1 1 53 53 ASN HD22 H 1 6.812 0.020 . 1 . . . A 53 ASN HD22 . 19798 1 558 . 1 1 53 53 ASN C C 13 176.000 0.3 . 1 . . . A 53 ASN C . 19798 1 559 . 1 1 53 53 ASN CA C 13 52.355 0.3 . 1 . . . A 53 ASN CA . 19798 1 560 . 1 1 53 53 ASN CB C 13 39.361 0.3 . 1 . . . A 53 ASN CB . 19798 1 561 . 1 1 53 53 ASN N N 15 115.348 0.3 . 1 . . . A 53 ASN N . 19798 1 562 . 1 1 53 53 ASN ND2 N 15 110.879 0.3 . 1 . . . A 53 ASN ND2 . 19798 1 563 . 1 1 54 54 GLN H H 1 8.670 0.020 . 1 . . . A 54 GLN H . 19798 1 564 . 1 1 54 54 GLN HA H 1 4.370 0.020 . 1 . . . A 54 GLN HA . 19798 1 565 . 1 1 54 54 GLN HB2 H 1 1.920 0.020 . 2 . . . A 54 GLN HB2 . 19798 1 566 . 1 1 54 54 GLN HB3 H 1 1.321 0.020 . 2 . . . A 54 GLN HB3 . 19798 1 567 . 1 1 54 54 GLN HG2 H 1 2.248 0.020 . 2 . . . A 54 GLN HG2 . 19798 1 568 . 1 1 54 54 GLN HG3 H 1 2.042 0.020 . 2 . . . A 54 GLN HG3 . 19798 1 569 . 1 1 54 54 GLN HE21 H 1 7.450 0.020 . 1 . . . A 54 GLN HE21 . 19798 1 570 . 1 1 54 54 GLN HE22 H 1 6.760 0.020 . 1 . . . A 54 GLN HE22 . 19798 1 571 . 1 1 54 54 GLN C C 13 174.100 0.3 . 1 . . . A 54 GLN C . 19798 1 572 . 1 1 54 54 GLN CA C 13 54.600 0.3 . 1 . . . A 54 GLN CA . 19798 1 573 . 1 1 54 54 GLN CB C 13 28.900 0.3 . 1 . . . A 54 GLN CB . 19798 1 574 . 1 1 54 54 GLN CG C 13 33.500 0.3 . 1 . . . A 54 GLN CG . 19798 1 575 . 1 1 54 54 GLN N N 15 121.005 0.3 . 1 . . . A 54 GLN N . 19798 1 576 . 1 1 54 54 GLN NE2 N 15 115.082 0.3 . 1 . . . A 54 GLN NE2 . 19798 1 577 . 1 1 55 55 ARG H H 1 8.551 0.020 . 1 . . . A 55 ARG H . 19798 1 578 . 1 1 55 55 ARG HA H 1 5.120 0.020 . 1 . . . A 55 ARG HA . 19798 1 579 . 1 1 55 55 ARG HB2 H 1 1.780 0.020 . 2 . . . A 55 ARG HB2 . 19798 1 580 . 1 1 55 55 ARG HB3 H 1 1.610 0.020 . 2 . . . A 55 ARG HB3 . 19798 1 581 . 1 1 55 55 ARG HG2 H 1 1.610 0.020 . 2 . . . A 55 ARG HG2 . 19798 1 582 . 1 1 55 55 ARG HG3 H 1 1.740 0.020 . 2 . . . A 55 ARG HG3 . 19798 1 583 . 1 1 55 55 ARG HD2 H 1 3.620 0.020 . 2 . . . A 55 ARG HD2 . 19798 1 584 . 1 1 55 55 ARG HD3 H 1 3.120 0.020 . 2 . . . A 55 ARG HD3 . 19798 1 585 . 1 1 55 55 ARG C C 13 175.600 0.3 . 1 . . . A 55 ARG C . 19798 1 586 . 1 1 55 55 ARG CA C 13 53.000 0.3 . 1 . . . A 55 ARG CA . 19798 1 587 . 1 1 55 55 ARG CB C 13 33.100 0.3 . 1 . . . A 55 ARG CB . 19798 1 588 . 1 1 55 55 ARG CG C 13 28.075 0.3 . 1 . . . A 55 ARG CG . 19798 1 589 . 1 1 55 55 ARG CD C 13 43.700 0.3 . 1 . . . A 55 ARG CD . 19798 1 590 . 1 1 55 55 ARG N N 15 122.223 0.3 . 1 . . . A 55 ARG N . 19798 1 591 . 1 1 56 56 PRO HA H 1 4.580 0.020 . 1 . . . A 56 PRO HA . 19798 1 592 . 1 1 56 56 PRO HB2 H 1 2.330 0.020 . 2 . . . A 56 PRO HB2 . 19798 1 593 . 1 1 56 56 PRO HB3 H 1 1.840 0.020 . 2 . . . A 56 PRO HB3 . 19798 1 594 . 1 1 56 56 PRO HG2 H 1 1.886 0.020 . 2 . . . A 56 PRO HG2 . 19798 1 595 . 1 1 56 56 PRO HG3 H 1 1.697 0.020 . 2 . . . A 56 PRO HG3 . 19798 1 596 . 1 1 56 56 PRO HD2 H 1 3.720 0.020 . 2 . . . A 56 PRO HD2 . 19798 1 597 . 1 1 56 56 PRO HD3 H 1 3.520 0.020 . 2 . . . A 56 PRO HD3 . 19798 1 598 . 1 1 56 56 PRO C C 13 176.200 0.3 . 1 . . . A 56 PRO C . 19798 1 599 . 1 1 56 56 PRO CA C 13 62.405 0.3 . 1 . . . A 56 PRO CA . 19798 1 600 . 1 1 56 56 PRO CB C 13 32.500 0.3 . 1 . . . A 56 PRO CB . 19798 1 601 . 1 1 57 57 SER H H 1 8.561 0.020 . 1 . . . A 57 SER H . 19798 1 602 . 1 1 57 57 SER HA H 1 4.220 0.020 . 1 . . . A 57 SER HA . 19798 1 603 . 1 1 57 57 SER HB2 H 1 3.851 0.020 . 2 . . . A 57 SER HB2 . 19798 1 604 . 1 1 57 57 SER HB3 H 1 3.880 0.020 . 2 . . . A 57 SER HB3 . 19798 1 605 . 1 1 57 57 SER C C 13 176.200 0.3 . 1 . . . A 57 SER C . 19798 1 606 . 1 1 57 57 SER CA C 13 60.300 0.3 . 1 . . . A 57 SER CA . 19798 1 607 . 1 1 57 57 SER CB C 13 63.000 0.3 . 1 . . . A 57 SER CB . 19798 1 608 . 1 1 57 57 SER N N 15 116.385 0.3 . 1 . . . A 57 SER N . 19798 1 609 . 1 1 58 58 GLY HA2 H 1 4.158 0.020 . 2 . . . A 58 GLY HA2 . 19798 1 610 . 1 1 58 58 GLY HA3 H 1 3.698 0.020 . 2 . . . A 58 GLY HA3 . 19798 1 611 . 1 1 58 58 GLY C C 13 174.300 0.3 . 1 . . . A 58 GLY C . 19798 1 612 . 1 1 58 58 GLY CA C 13 44.707 0.3 . 1 . . . A 58 GLY CA . 19798 1 613 . 1 1 59 59 VAL H H 1 7.499 0.020 . 1 . . . A 59 VAL H . 19798 1 614 . 1 1 59 59 VAL HA H 1 4.343 0.020 . 1 . . . A 59 VAL HA . 19798 1 615 . 1 1 59 59 VAL HB H 1 2.069 0.020 . 1 . . . A 59 VAL HB . 19798 1 616 . 1 1 59 59 VAL HG11 H 1 0.934 0.020 . 2 . . . A 59 VAL HG11 . 19798 1 617 . 1 1 59 59 VAL HG12 H 1 0.934 0.020 . 2 . . . A 59 VAL HG12 . 19798 1 618 . 1 1 59 59 VAL HG13 H 1 0.934 0.020 . 2 . . . A 59 VAL HG13 . 19798 1 619 . 1 1 59 59 VAL HG21 H 1 1.037 0.020 . 2 . . . A 59 VAL HG21 . 19798 1 620 . 1 1 59 59 VAL HG22 H 1 1.037 0.020 . 2 . . . A 59 VAL HG22 . 19798 1 621 . 1 1 59 59 VAL HG23 H 1 1.037 0.020 . 2 . . . A 59 VAL HG23 . 19798 1 622 . 1 1 59 59 VAL C C 13 174.600 0.3 . 1 . . . A 59 VAL C . 19798 1 623 . 1 1 59 59 VAL CA C 13 59.801 0.3 . 1 . . . A 59 VAL CA . 19798 1 624 . 1 1 59 59 VAL CB C 13 33.336 0.3 . 1 . . . A 59 VAL CB . 19798 1 625 . 1 1 59 59 VAL CG1 C 13 22.697 0.3 . 1 . . . A 59 VAL CG1 . 19798 1 626 . 1 1 59 59 VAL CG2 C 13 19.087 0.3 . 1 . . . A 59 VAL CG2 . 19798 1 627 . 1 1 59 59 VAL N N 15 124.336 0.3 . 1 . . . A 59 VAL N . 19798 1 628 . 1 1 60 60 PRO HA H 1 4.550 0.020 . 1 . . . A 60 PRO HA . 19798 1 629 . 1 1 60 60 PRO HB2 H 1 2.610 0.020 . 2 . . . A 60 PRO HB2 . 19798 1 630 . 1 1 60 60 PRO HB3 H 1 2.050 0.020 . 2 . . . A 60 PRO HB3 . 19798 1 631 . 1 1 60 60 PRO HG2 H 1 2.212 0.020 . 2 . . . A 60 PRO HG2 . 19798 1 632 . 1 1 60 60 PRO HG3 H 1 2.200 0.020 . 2 . . . A 60 PRO HG3 . 19798 1 633 . 1 1 60 60 PRO HD2 H 1 4.030 0.020 . 2 . . . A 60 PRO HD2 . 19798 1 634 . 1 1 60 60 PRO HD3 H 1 3.700 0.020 . 2 . . . A 60 PRO HD3 . 19798 1 635 . 1 1 60 60 PRO C C 13 176.500 0.3 . 1 . . . A 60 PRO C . 19798 1 636 . 1 1 60 60 PRO CA C 13 63.400 0.3 . 1 . . . A 60 PRO CA . 19798 1 637 . 1 1 60 60 PRO CB C 13 33.131 0.3 . 1 . . . A 60 PRO CB . 19798 1 638 . 1 1 61 61 ASP H H 1 8.515 0.020 . 1 . . . A 61 ASP H . 19798 1 639 . 1 1 61 61 ASP HA H 1 4.081 0.020 . 1 . . . A 61 ASP HA . 19798 1 640 . 1 1 61 61 ASP HB2 H 1 2.881 0.020 . 2 . . . A 61 ASP HB2 . 19798 1 641 . 1 1 61 61 ASP HB3 H 1 2.590 0.020 . 2 . . . A 61 ASP HB3 . 19798 1 642 . 1 1 61 61 ASP C C 13 175.600 0.3 . 1 . . . A 61 ASP C . 19798 1 643 . 1 1 61 61 ASP CA C 13 54.937 0.3 . 1 . . . A 61 ASP CA . 19798 1 644 . 1 1 61 61 ASP CB C 13 39.040 0.3 . 1 . . . A 61 ASP CB . 19798 1 645 . 1 1 61 61 ASP N N 15 119.350 0.3 . 1 . . . A 61 ASP N . 19798 1 646 . 1 1 62 62 ARG H H 1 6.680 0.020 . 1 . . . A 62 ARG H . 19798 1 647 . 1 1 62 62 ARG HA H 1 4.060 0.020 . 1 . . . A 62 ARG HA . 19798 1 648 . 1 1 62 62 ARG HB2 H 1 1.910 0.020 . 1 . . . A 62 ARG HB2 . 19798 1 649 . 1 1 62 62 ARG HB3 H 1 1.910 0.020 . 1 . . . A 62 ARG HB3 . 19798 1 650 . 1 1 62 62 ARG HG2 H 1 2.220 0.020 . 2 . . . A 62 ARG HG2 . 19798 1 651 . 1 1 62 62 ARG HG3 H 1 2.075 0.020 . 2 . . . A 62 ARG HG3 . 19798 1 652 . 1 1 62 62 ARG HD2 H 1 3.229 0.020 . 2 . . . A 62 ARG HD2 . 19798 1 653 . 1 1 62 62 ARG HD3 H 1 3.080 0.020 . 2 . . . A 62 ARG HD3 . 19798 1 654 . 1 1 62 62 ARG C C 13 175.800 0.3 . 1 . . . A 62 ARG C . 19798 1 655 . 1 1 62 62 ARG CA C 13 57.000 0.3 . 1 . . . A 62 ARG CA . 19798 1 656 . 1 1 62 62 ARG CB C 13 29.300 0.3 . 1 . . . A 62 ARG CB . 19798 1 657 . 1 1 62 62 ARG CG C 13 28.600 0.3 . 1 . . . A 62 ARG CG . 19798 1 658 . 1 1 62 62 ARG CD C 13 42.400 0.3 . 1 . . . A 62 ARG CD . 19798 1 659 . 1 1 62 62 ARG N N 15 114.826 0.3 . 1 . . . A 62 ARG N . 19798 1 660 . 1 1 63 63 PHE H H 1 7.686 0.020 . 1 . . . A 63 PHE H . 19798 1 661 . 1 1 63 63 PHE HA H 1 4.767 0.020 . 1 . . . A 63 PHE HA . 19798 1 662 . 1 1 63 63 PHE HB2 H 1 2.980 0.020 . 2 . . . A 63 PHE HB2 . 19798 1 663 . 1 1 63 63 PHE HB3 H 1 2.274 0.020 . 2 . . . A 63 PHE HB3 . 19798 1 664 . 1 1 63 63 PHE HD1 H 1 7.090 0.020 . 3 . . . A 63 PHE HD1 . 19798 1 665 . 1 1 63 63 PHE HD2 H 1 7.034 0.020 . 3 . . . A 63 PHE HD2 . 19798 1 666 . 1 1 63 63 PHE HE1 H 1 7.230 0.020 . 3 . . . A 63 PHE HE1 . 19798 1 667 . 1 1 63 63 PHE HE2 H 1 7.218 0.020 . 3 . . . A 63 PHE HE2 . 19798 1 668 . 1 1 63 63 PHE HZ H 1 7.350 0.020 . 1 . . . A 63 PHE HZ . 19798 1 669 . 1 1 63 63 PHE C C 13 174.600 0.3 . 1 . . . A 63 PHE C . 19798 1 670 . 1 1 63 63 PHE CA C 13 57.856 0.3 . 1 . . . A 63 PHE CA . 19798 1 671 . 1 1 63 63 PHE CB C 13 40.320 0.3 . 1 . . . A 63 PHE CB . 19798 1 672 . 1 1 63 63 PHE N N 15 119.979 0.3 . 1 . . . A 63 PHE N . 19798 1 673 . 1 1 64 64 SER H H 1 8.882 0.020 . 1 . . . A 64 SER H . 19798 1 674 . 1 1 64 64 SER HA H 1 4.754 0.020 . 1 . . . A 64 SER HA . 19798 1 675 . 1 1 64 64 SER HB2 H 1 3.732 0.020 . 2 . . . A 64 SER HB2 . 19798 1 676 . 1 1 64 64 SER HB3 H 1 3.652 0.020 . 2 . . . A 64 SER HB3 . 19798 1 677 . 1 1 64 64 SER C C 13 172.300 0.3 . 1 . . . A 64 SER C . 19798 1 678 . 1 1 64 64 SER CA C 13 57.377 0.3 . 1 . . . A 64 SER CA . 19798 1 679 . 1 1 64 64 SER CB C 13 65.800 0.3 . 1 . . . A 64 SER CB . 19798 1 680 . 1 1 64 64 SER N N 15 114.814 0.3 . 1 . . . A 64 SER N . 19798 1 681 . 1 1 65 65 GLY H H 1 8.769 0.020 . 1 . . . A 65 GLY H . 19798 1 682 . 1 1 65 65 GLY HA2 H 1 5.373 0.020 . 2 . . . A 65 GLY HA2 . 19798 1 683 . 1 1 65 65 GLY HA3 H 1 3.688 0.020 . 2 . . . A 65 GLY HA3 . 19798 1 684 . 1 1 65 65 GLY C C 13 172.600 0.3 . 1 . . . A 65 GLY C . 19798 1 685 . 1 1 65 65 GLY CA C 13 43.350 0.3 . 1 . . . A 65 GLY CA . 19798 1 686 . 1 1 65 65 GLY N N 15 109.859 0.3 . 1 . . . A 65 GLY N . 19798 1 687 . 1 1 66 66 SER H H 1 8.654 0.020 . 1 . . . A 66 SER H . 19798 1 688 . 1 1 66 66 SER HA H 1 4.748 0.020 . 1 . . . A 66 SER HA . 19798 1 689 . 1 1 66 66 SER HB2 H 1 3.714 0.020 . 1 . . . A 66 SER HB2 . 19798 1 690 . 1 1 66 66 SER HB3 H 1 3.714 0.020 . 1 . . . A 66 SER HB3 . 19798 1 691 . 1 1 66 66 SER C C 13 173.400 0.3 . 1 . . . A 66 SER C . 19798 1 692 . 1 1 66 66 SER CA C 13 57.300 0.3 . 1 . . . A 66 SER CA . 19798 1 693 . 1 1 66 66 SER CB C 13 66.100 0.3 . 1 . . . A 66 SER CB . 19798 1 694 . 1 1 66 66 SER N N 15 112.830 0.3 . 1 . . . A 66 SER N . 19798 1 695 . 1 1 67 67 ILE H H 1 8.528 0.020 . 1 . . . A 67 ILE H . 19798 1 696 . 1 1 67 67 ILE HA H 1 4.755 0.020 . 1 . . . A 67 ILE HA . 19798 1 697 . 1 1 67 67 ILE HB H 1 1.940 0.020 . 1 . . . A 67 ILE HB . 19798 1 698 . 1 1 67 67 ILE HG12 H 1 1.510 0.020 . 2 . . . A 67 ILE HG12 . 19798 1 699 . 1 1 67 67 ILE HG13 H 1 1.339 0.020 . 2 . . . A 67 ILE HG13 . 19798 1 700 . 1 1 67 67 ILE HG21 H 1 0.826 0.020 . 1 . . . A 67 ILE HG21 . 19798 1 701 . 1 1 67 67 ILE HG22 H 1 0.826 0.020 . 1 . . . A 67 ILE HG22 . 19798 1 702 . 1 1 67 67 ILE HG23 H 1 0.826 0.020 . 1 . . . A 67 ILE HG23 . 19798 1 703 . 1 1 67 67 ILE HD11 H 1 0.891 0.020 . 1 . . . A 67 ILE HD11 . 19798 1 704 . 1 1 67 67 ILE HD12 H 1 0.891 0.020 . 1 . . . A 67 ILE HD12 . 19798 1 705 . 1 1 67 67 ILE HD13 H 1 0.891 0.020 . 1 . . . A 67 ILE HD13 . 19798 1 706 . 1 1 67 67 ILE C C 13 174.700 0.3 . 1 . . . A 67 ILE C . 19798 1 707 . 1 1 67 67 ILE CA C 13 59.600 0.3 . 1 . . . A 67 ILE CA . 19798 1 708 . 1 1 67 67 ILE CB C 13 40.400 0.3 . 1 . . . A 67 ILE CB . 19798 1 709 . 1 1 67 67 ILE CG1 C 13 26.900 0.3 . 1 . . . A 67 ILE CG1 . 19798 1 710 . 1 1 67 67 ILE CG2 C 13 16.595 0.3 . 1 . . . A 67 ILE CG2 . 19798 1 711 . 1 1 67 67 ILE CD1 C 13 10.928 0.3 . 1 . . . A 67 ILE CD1 . 19798 1 712 . 1 1 67 67 ILE N N 15 122.008 0.3 . 1 . . . A 67 ILE N . 19798 1 713 . 1 1 68 68 ASP H H 1 9.124 0.020 . 1 . . . A 68 ASP H . 19798 1 714 . 1 1 68 68 ASP HA H 1 5.029 0.020 . 1 . . . A 68 ASP HA . 19798 1 715 . 1 1 68 68 ASP HB2 H 1 2.863 0.020 . 2 . . . A 68 ASP HB2 . 19798 1 716 . 1 1 68 68 ASP HB3 H 1 2.454 0.020 . 2 . . . A 68 ASP HB3 . 19798 1 717 . 1 1 68 68 ASP C C 13 176.300 0.3 . 1 . . . A 68 ASP C . 19798 1 718 . 1 1 68 68 ASP CA C 13 51.826 0.3 . 1 . . . A 68 ASP CA . 19798 1 719 . 1 1 68 68 ASP CB C 13 41.533 0.3 . 1 . . . A 68 ASP CB . 19798 1 720 . 1 1 68 68 ASP N N 15 126.193 0.3 . 1 . . . A 68 ASP N . 19798 1 721 . 1 1 70 70 SER HA H 1 4.303 0.020 . 1 . . . A 70 SER HA . 19798 1 722 . 1 1 70 70 SER HB2 H 1 4.030 0.020 . 1 . . . A 70 SER HB2 . 19798 1 723 . 1 1 70 70 SER HB3 H 1 4.030 0.020 . 1 . . . A 70 SER HB3 . 19798 1 724 . 1 1 70 70 SER C C 13 175.300 0.3 . 1 . . . A 70 SER C . 19798 1 725 . 1 1 70 70 SER CA C 13 61.158 0.3 . 1 . . . A 70 SER CA . 19798 1 726 . 1 1 70 70 SER CB C 13 62.900 0.3 . 1 . . . A 70 SER CB . 19798 1 727 . 1 1 71 71 SER H H 1 7.416 0.020 . 1 . . . A 71 SER H . 19798 1 728 . 1 1 71 71 SER HA H 1 4.583 0.020 . 1 . . . A 71 SER HA . 19798 1 729 . 1 1 71 71 SER HB2 H 1 4.009 0.020 . 2 . . . A 71 SER HB2 . 19798 1 730 . 1 1 71 71 SER HB3 H 1 3.730 0.020 . 2 . . . A 71 SER HB3 . 19798 1 731 . 1 1 71 71 SER C C 13 174.600 0.3 . 1 . . . A 71 SER C . 19798 1 732 . 1 1 71 71 SER CA C 13 57.900 0.3 . 1 . . . A 71 SER CA . 19798 1 733 . 1 1 71 71 SER CB C 13 64.100 0.3 . 1 . . . A 71 SER CB . 19798 1 734 . 1 1 71 71 SER N N 15 114.342 0.3 . 1 . . . A 71 SER N . 19798 1 735 . 1 1 72 72 ASN H H 1 8.099 0.020 . 1 . . . A 72 ASN H . 19798 1 736 . 1 1 72 72 ASN HA H 1 4.504 0.020 . 1 . . . A 72 ASN HA . 19798 1 737 . 1 1 72 72 ASN HB2 H 1 3.653 0.020 . 2 . . . A 72 ASN HB2 . 19798 1 738 . 1 1 72 72 ASN HB3 H 1 2.510 0.020 . 2 . . . A 72 ASN HB3 . 19798 1 739 . 1 1 72 72 ASN HD21 H 1 7.681 0.020 . 1 . . . A 72 ASN HD21 . 19798 1 740 . 1 1 72 72 ASN HD22 H 1 7.231 0.020 . 1 . . . A 72 ASN HD22 . 19798 1 741 . 1 1 72 72 ASN C C 13 173.600 0.3 . 1 . . . A 72 ASN C . 19798 1 742 . 1 1 72 72 ASN CA C 13 54.040 0.3 . 1 . . . A 72 ASN CA . 19798 1 743 . 1 1 72 72 ASN CB C 13 38.700 0.3 . 1 . . . A 72 ASN CB . 19798 1 744 . 1 1 72 72 ASN N N 15 123.541 0.3 . 1 . . . A 72 ASN N . 19798 1 745 . 1 1 72 72 ASN ND2 N 15 110.326 0.3 . 1 . . . A 72 ASN ND2 . 19798 1 746 . 1 1 73 73 SER H H 1 8.204 0.020 . 1 . . . A 73 SER H . 19798 1 747 . 1 1 73 73 SER HA H 1 5.562 0.020 . 1 . . . A 73 SER HA . 19798 1 748 . 1 1 73 73 SER HB2 H 1 3.679 0.020 . 2 . . . A 73 SER HB2 . 19798 1 749 . 1 1 73 73 SER HB3 H 1 3.616 0.020 . 2 . . . A 73 SER HB3 . 19798 1 750 . 1 1 73 73 SER C C 13 171.500 0.3 . 1 . . . A 73 SER C . 19798 1 751 . 1 1 73 73 SER CA C 13 56.177 0.3 . 1 . . . A 73 SER CA . 19798 1 752 . 1 1 73 73 SER CB C 13 67.756 0.3 . 1 . . . A 73 SER CB . 19798 1 753 . 1 1 73 73 SER N N 15 109.438 0.3 . 1 . . . A 73 SER N . 19798 1 754 . 1 1 74 74 ALA H H 1 9.324 0.020 . 1 . . . A 74 ALA H . 19798 1 755 . 1 1 74 74 ALA HA H 1 5.346 0.020 . 1 . . . A 74 ALA HA . 19798 1 756 . 1 1 74 74 ALA HB1 H 1 1.660 0.020 . 1 . . . A 74 ALA HB1 . 19798 1 757 . 1 1 74 74 ALA HB2 H 1 1.660 0.020 . 1 . . . A 74 ALA HB2 . 19798 1 758 . 1 1 74 74 ALA HB3 H 1 1.660 0.020 . 1 . . . A 74 ALA HB3 . 19798 1 759 . 1 1 74 74 ALA C C 13 176.700 0.3 . 1 . . . A 74 ALA C . 19798 1 760 . 1 1 74 74 ALA CA C 13 49.714 0.3 . 1 . . . A 74 ALA CA . 19798 1 761 . 1 1 74 74 ALA CB C 13 23.431 0.3 . 1 . . . A 74 ALA CB . 19798 1 762 . 1 1 74 74 ALA N N 15 125.096 0.3 . 1 . . . A 74 ALA N . 19798 1 763 . 1 1 75 75 SER H H 1 8.952 0.020 . 1 . . . A 75 SER H . 19798 1 764 . 1 1 75 75 SER HA H 1 5.594 0.020 . 1 . . . A 75 SER HA . 19798 1 765 . 1 1 75 75 SER HB2 H 1 3.394 0.020 . 1 . . . A 75 SER HB2 . 19798 1 766 . 1 1 75 75 SER HB3 H 1 3.394 0.020 . 1 . . . A 75 SER HB3 . 19798 1 767 . 1 1 75 75 SER C C 13 171.300 0.3 . 1 . . . A 75 SER C . 19798 1 768 . 1 1 75 75 SER CA C 13 57.326 0.3 . 1 . . . A 75 SER CA . 19798 1 769 . 1 1 75 75 SER CB C 13 66.138 0.3 . 1 . . . A 75 SER CB . 19798 1 770 . 1 1 75 75 SER N N 15 114.445 0.3 . 1 . . . A 75 SER N . 19798 1 771 . 1 1 76 76 LEU H H 1 8.387 0.020 . 1 . . . A 76 LEU H . 19798 1 772 . 1 1 76 76 LEU HA H 1 4.358 0.020 . 1 . . . A 76 LEU HA . 19798 1 773 . 1 1 76 76 LEU HB2 H 1 0.280 0.020 . 2 . . . A 76 LEU HB2 . 19798 1 774 . 1 1 76 76 LEU HB3 H 1 0.256 0.020 . 2 . . . A 76 LEU HB3 . 19798 1 775 . 1 1 76 76 LEU HG H 1 0.684 0.020 . 1 . . . A 76 LEU HG . 19798 1 776 . 1 1 76 76 LEU HD11 H 1 0.177 0.020 . 2 . . . A 76 LEU HD11 . 19798 1 777 . 1 1 76 76 LEU HD12 H 1 0.177 0.020 . 2 . . . A 76 LEU HD12 . 19798 1 778 . 1 1 76 76 LEU HD13 H 1 0.177 0.020 . 2 . . . A 76 LEU HD13 . 19798 1 779 . 1 1 76 76 LEU HD21 H 1 -1.550 0.020 . 2 . . . A 76 LEU HD21 . 19798 1 780 . 1 1 76 76 LEU HD22 H 1 -1.550 0.020 . 2 . . . A 76 LEU HD22 . 19798 1 781 . 1 1 76 76 LEU HD23 H 1 -1.550 0.020 . 2 . . . A 76 LEU HD23 . 19798 1 782 . 1 1 76 76 LEU C C 13 174.700 0.3 . 1 . . . A 76 LEU C . 19798 1 783 . 1 1 76 76 LEU CA C 13 52.500 0.3 . 1 . . . A 76 LEU CA . 19798 1 784 . 1 1 76 76 LEU CB C 13 41.400 0.3 . 1 . . . A 76 LEU CB . 19798 1 785 . 1 1 76 76 LEU CG C 13 26.800 0.3 . 1 . . . A 76 LEU CG . 19798 1 786 . 1 1 76 76 LEU CD1 C 13 27.300 0.3 . 1 . . . A 76 LEU CD1 . 19798 1 787 . 1 1 76 76 LEU CD2 C 13 23.600 0.3 . 1 . . . A 76 LEU CD2 . 19798 1 788 . 1 1 76 76 LEU N N 15 127.757 0.3 . 1 . . . A 76 LEU N . 19798 1 789 . 1 1 77 77 THR H H 1 9.043 0.020 . 1 . . . A 77 THR H . 19798 1 790 . 1 1 77 77 THR HA H 1 4.924 0.020 . 1 . . . A 77 THR HA . 19798 1 791 . 1 1 77 77 THR HB H 1 3.544 0.020 . 1 . . . A 77 THR HB . 19798 1 792 . 1 1 77 77 THR HG21 H 1 0.781 0.020 . 1 . . . A 77 THR HG21 . 19798 1 793 . 1 1 77 77 THR HG22 H 1 0.781 0.020 . 1 . . . A 77 THR HG22 . 19798 1 794 . 1 1 77 77 THR HG23 H 1 0.781 0.020 . 1 . . . A 77 THR HG23 . 19798 1 795 . 1 1 77 77 THR C C 13 173.000 0.3 . 1 . . . A 77 THR C . 19798 1 796 . 1 1 77 77 THR CA C 13 60.854 0.3 . 1 . . . A 77 THR CA . 19798 1 797 . 1 1 77 77 THR CB C 13 69.729 0.3 . 1 . . . A 77 THR CB . 19798 1 798 . 1 1 77 77 THR CG2 C 13 21.300 0.3 . 1 . . . A 77 THR CG2 . 19798 1 799 . 1 1 77 77 THR N N 15 124.480 0.3 . 1 . . . A 77 THR N . 19798 1 800 . 1 1 78 78 ILE H H 1 8.697 0.020 . 1 . . . A 78 ILE H . 19798 1 801 . 1 1 78 78 ILE HA H 1 4.210 0.020 . 1 . . . A 78 ILE HA . 19798 1 802 . 1 1 78 78 ILE HB H 1 1.211 0.020 . 1 . . . A 78 ILE HB . 19798 1 803 . 1 1 78 78 ILE HG12 H 1 0.789 0.020 . 1 . . . A 78 ILE HG12 . 19798 1 804 . 1 1 78 78 ILE HG13 H 1 0.789 0.020 . 1 . . . A 78 ILE HG13 . 19798 1 805 . 1 1 78 78 ILE HG21 H 1 -0.059 0.020 . 1 . . . A 78 ILE HG21 . 19798 1 806 . 1 1 78 78 ILE HG22 H 1 -0.059 0.020 . 1 . . . A 78 ILE HG22 . 19798 1 807 . 1 1 78 78 ILE HG23 H 1 -0.059 0.020 . 1 . . . A 78 ILE HG23 . 19798 1 808 . 1 1 78 78 ILE HD11 H 1 0.048 0.020 . 1 . . . A 78 ILE HD11 . 19798 1 809 . 1 1 78 78 ILE HD12 H 1 0.048 0.020 . 1 . . . A 78 ILE HD12 . 19798 1 810 . 1 1 78 78 ILE HD13 H 1 0.048 0.020 . 1 . . . A 78 ILE HD13 . 19798 1 811 . 1 1 78 78 ILE C C 13 175.200 0.3 . 1 . . . A 78 ILE C . 19798 1 812 . 1 1 78 78 ILE CA C 13 60.300 0.3 . 1 . . . A 78 ILE CA . 19798 1 813 . 1 1 78 78 ILE CB C 13 39.300 0.3 . 1 . . . A 78 ILE CB . 19798 1 814 . 1 1 78 78 ILE CG1 C 13 26.000 0.3 . 1 . . . A 78 ILE CG1 . 19798 1 815 . 1 1 78 78 ILE CG2 C 13 17.066 0.3 . 1 . . . A 78 ILE CG2 . 19798 1 816 . 1 1 78 78 ILE CD1 C 13 13.355 0.3 . 1 . . . A 78 ILE CD1 . 19798 1 817 . 1 1 78 78 ILE N N 15 127.065 0.3 . 1 . . . A 78 ILE N . 19798 1 818 . 1 1 79 79 SER H H 1 8.516 0.020 . 1 . . . A 79 SER H . 19798 1 819 . 1 1 79 79 SER HA H 1 4.770 0.020 . 1 . . . A 79 SER HA . 19798 1 820 . 1 1 79 79 SER HB2 H 1 3.670 0.020 . 2 . . . A 79 SER HB2 . 19798 1 821 . 1 1 79 79 SER HB3 H 1 3.613 0.020 . 2 . . . A 79 SER HB3 . 19798 1 822 . 1 1 79 79 SER C C 13 173.800 0.3 . 1 . . . A 79 SER C . 19798 1 823 . 1 1 79 79 SER CA C 13 56.792 0.3 . 1 . . . A 79 SER CA . 19798 1 824 . 1 1 79 79 SER CB C 13 64.615 0.3 . 1 . . . A 79 SER CB . 19798 1 825 . 1 1 79 79 SER N N 15 121.449 0.3 . 1 . . . A 79 SER N . 19798 1 826 . 1 1 80 80 GLY H H 1 7.685 0.020 . 1 . . . A 80 GLY H . 19798 1 827 . 1 1 80 80 GLY HA2 H 1 3.555 0.020 . 2 . . . A 80 GLY HA2 . 19798 1 828 . 1 1 80 80 GLY HA3 H 1 3.304 0.020 . 2 . . . A 80 GLY HA3 . 19798 1 829 . 1 1 80 80 GLY C C 13 174.600 0.3 . 1 . . . A 80 GLY C . 19798 1 830 . 1 1 80 80 GLY CA C 13 46.738 0.3 . 1 . . . A 80 GLY CA . 19798 1 831 . 1 1 80 80 GLY N N 15 109.795 0.3 . 1 . . . A 80 GLY N . 19798 1 832 . 1 1 81 81 LEU H H 1 7.953 0.020 . 1 . . . A 81 LEU H . 19798 1 833 . 1 1 81 81 LEU HA H 1 3.637 0.020 . 1 . . . A 81 LEU HA . 19798 1 834 . 1 1 81 81 LEU HB2 H 1 1.395 0.020 . 2 . . . A 81 LEU HB2 . 19798 1 835 . 1 1 81 81 LEU HB3 H 1 1.420 0.020 . 2 . . . A 81 LEU HB3 . 19798 1 836 . 1 1 81 81 LEU HG H 1 1.364 0.020 . 1 . . . A 81 LEU HG . 19798 1 837 . 1 1 81 81 LEU HD11 H 1 0.633 0.020 . 2 . . . A 81 LEU HD11 . 19798 1 838 . 1 1 81 81 LEU HD12 H 1 0.633 0.020 . 2 . . . A 81 LEU HD12 . 19798 1 839 . 1 1 81 81 LEU HD13 H 1 0.633 0.020 . 2 . . . A 81 LEU HD13 . 19798 1 840 . 1 1 81 81 LEU HD21 H 1 0.698 0.020 . 2 . . . A 81 LEU HD21 . 19798 1 841 . 1 1 81 81 LEU HD22 H 1 0.698 0.020 . 2 . . . A 81 LEU HD22 . 19798 1 842 . 1 1 81 81 LEU HD23 H 1 0.698 0.020 . 2 . . . A 81 LEU HD23 . 19798 1 843 . 1 1 81 81 LEU C C 13 176.800 0.3 . 1 . . . A 81 LEU C . 19798 1 844 . 1 1 81 81 LEU CA C 13 56.600 0.3 . 1 . . . A 81 LEU CA . 19798 1 845 . 1 1 81 81 LEU CB C 13 43.827 0.3 . 1 . . . A 81 LEU CB . 19798 1 846 . 1 1 81 81 LEU CG C 13 26.700 0.3 . 1 . . . A 81 LEU CG . 19798 1 847 . 1 1 81 81 LEU CD1 C 13 26.500 0.3 . 1 . . . A 81 LEU CD1 . 19798 1 848 . 1 1 81 81 LEU CD2 C 13 25.800 0.3 . 1 . . . A 81 LEU CD2 . 19798 1 849 . 1 1 81 81 LEU N N 15 117.173 0.3 . 1 . . . A 81 LEU N . 19798 1 850 . 1 1 82 82 LYS H H 1 9.052 0.020 . 1 . . . A 82 LYS H . 19798 1 851 . 1 1 82 82 LYS HA H 1 4.809 0.020 . 1 . . . A 82 LYS HA . 19798 1 852 . 1 1 82 82 LYS HB2 H 1 2.113 0.020 . 2 . . . A 82 LYS HB2 . 19798 1 853 . 1 1 82 82 LYS HB3 H 1 1.540 0.020 . 2 . . . A 82 LYS HB3 . 19798 1 854 . 1 1 82 82 LYS HG2 H 1 1.587 0.020 . 2 . . . A 82 LYS HG2 . 19798 1 855 . 1 1 82 82 LYS HG3 H 1 1.366 0.020 . 2 . . . A 82 LYS HG3 . 19798 1 856 . 1 1 82 82 LYS HD2 H 1 1.640 0.020 . 1 . . . A 82 LYS HD2 . 19798 1 857 . 1 1 82 82 LYS HD3 H 1 1.640 0.020 . 1 . . . A 82 LYS HD3 . 19798 1 858 . 1 1 82 82 LYS HE2 H 1 2.863 0.020 . 2 . . . A 82 LYS HE2 . 19798 1 859 . 1 1 82 82 LYS HE3 H 1 2.980 0.020 . 2 . . . A 82 LYS HE3 . 19798 1 860 . 1 1 82 82 LYS C C 13 177.700 0.3 . 1 . . . A 82 LYS C . 19798 1 861 . 1 1 82 82 LYS CA C 13 54.100 0.3 . 1 . . . A 82 LYS CA . 19798 1 862 . 1 1 82 82 LYS CB C 13 36.933 0.3 . 1 . . . A 82 LYS CB . 19798 1 863 . 1 1 82 82 LYS CG C 13 24.477 0.3 . 1 . . . A 82 LYS CG . 19798 1 864 . 1 1 82 82 LYS CD C 13 29.200 0.3 . 1 . . . A 82 LYS CD . 19798 1 865 . 1 1 82 82 LYS CE C 13 42.400 0.3 . 1 . . . A 82 LYS CE . 19798 1 866 . 1 1 82 82 LYS N N 15 125.225 0.3 . 1 . . . A 82 LYS N . 19798 1 867 . 1 1 83 83 THR H H 1 8.806 0.020 . 1 . . . A 83 THR H . 19798 1 868 . 1 1 83 83 THR HA H 1 4.129 0.020 . 1 . . . A 83 THR HA . 19798 1 869 . 1 1 83 83 THR HB H 1 3.767 0.020 . 1 . . . A 83 THR HB . 19798 1 870 . 1 1 83 83 THR HG21 H 1 1.268 0.020 . 1 . . . A 83 THR HG21 . 19798 1 871 . 1 1 83 83 THR HG22 H 1 1.268 0.020 . 1 . . . A 83 THR HG22 . 19798 1 872 . 1 1 83 83 THR HG23 H 1 1.268 0.020 . 1 . . . A 83 THR HG23 . 19798 1 873 . 1 1 83 83 THR C C 13 177.300 0.3 . 1 . . . A 83 THR C . 19798 1 874 . 1 1 83 83 THR CA C 13 67.823 0.3 . 1 . . . A 83 THR CA . 19798 1 875 . 1 1 83 83 THR CB C 13 66.442 0.3 . 1 . . . A 83 THR CB . 19798 1 876 . 1 1 83 83 THR CG2 C 13 21.808 0.3 . 1 . . . A 83 THR CG2 . 19798 1 877 . 1 1 83 83 THR N N 15 116.316 0.3 . 1 . . . A 83 THR N . 19798 1 878 . 1 1 84 84 GLU H H 1 8.803 0.020 . 1 . . . A 84 GLU H . 19798 1 879 . 1 1 84 84 GLU HA H 1 4.275 0.020 . 1 . . . A 84 GLU HA . 19798 1 880 . 1 1 84 84 GLU HB2 H 1 2.110 0.020 . 2 . . . A 84 GLU HB2 . 19798 1 881 . 1 1 84 84 GLU HB3 H 1 2.060 0.020 . 2 . . . A 84 GLU HB3 . 19798 1 882 . 1 1 84 84 GLU HG2 H 1 2.147 0.020 . 2 . . . A 84 GLU HG2 . 19798 1 883 . 1 1 84 84 GLU HG3 H 1 2.170 0.020 . 2 . . . A 84 GLU HG3 . 19798 1 884 . 1 1 84 84 GLU C C 13 175.500 0.3 . 1 . . . A 84 GLU C . 19798 1 885 . 1 1 84 84 GLU CA C 13 57.811 0.3 . 1 . . . A 84 GLU CA . 19798 1 886 . 1 1 84 84 GLU CB C 13 28.931 0.3 . 1 . . . A 84 GLU CB . 19798 1 887 . 1 1 84 84 GLU CG C 13 35.711 0.3 . 1 . . . A 84 GLU CG . 19798 1 888 . 1 1 84 84 GLU N N 15 118.287 0.3 . 1 . . . A 84 GLU N . 19798 1 889 . 1 1 85 85 ASP H H 1 8.103 0.020 . 1 . . . A 85 ASP H . 19798 1 890 . 1 1 85 85 ASP HA H 1 4.538 0.020 . 1 . . . A 85 ASP HA . 19798 1 891 . 1 1 85 85 ASP HB2 H 1 2.870 0.020 . 2 . . . A 85 ASP HB2 . 19798 1 892 . 1 1 85 85 ASP HB3 H 1 2.630 0.020 . 2 . . . A 85 ASP HB3 . 19798 1 893 . 1 1 85 85 ASP C C 13 177.600 0.3 . 1 . . . A 85 ASP C . 19798 1 894 . 1 1 85 85 ASP CA C 13 54.509 0.3 . 1 . . . A 85 ASP CA . 19798 1 895 . 1 1 85 85 ASP CB C 13 40.430 0.3 . 1 . . . A 85 ASP CB . 19798 1 896 . 1 1 85 85 ASP N N 15 119.721 0.3 . 1 . . . A 85 ASP N . 19798 1 897 . 1 1 86 86 GLU H H 1 7.537 0.020 . 1 . . . A 86 GLU H . 19798 1 898 . 1 1 86 86 GLU HA H 1 4.090 0.020 . 1 . . . A 86 GLU HA . 19798 1 899 . 1 1 86 86 GLU HB2 H 1 2.196 0.020 . 2 . . . A 86 GLU HB2 . 19798 1 900 . 1 1 86 86 GLU HB3 H 1 2.132 0.020 . 2 . . . A 86 GLU HB3 . 19798 1 901 . 1 1 86 86 GLU HG2 H 1 3.070 0.020 . 2 . . . A 86 GLU HG2 . 19798 1 902 . 1 1 86 86 GLU HG3 H 1 2.159 0.020 . 2 . . . A 86 GLU HG3 . 19798 1 903 . 1 1 86 86 GLU C C 13 175.000 0.3 . 1 . . . A 86 GLU C . 19798 1 904 . 1 1 86 86 GLU CA C 13 58.428 0.3 . 1 . . . A 86 GLU CA . 19798 1 905 . 1 1 86 86 GLU CB C 13 29.469 0.3 . 1 . . . A 86 GLU CB . 19798 1 906 . 1 1 86 86 GLU CG C 13 36.376 0.3 . 1 . . . A 86 GLU CG . 19798 1 907 . 1 1 86 86 GLU N N 15 121.758 0.3 . 1 . . . A 86 GLU N . 19798 1 908 . 1 1 87 87 ALA H H 1 8.062 0.020 . 1 . . . A 87 ALA H . 19798 1 909 . 1 1 87 87 ALA HA H 1 4.332 0.020 . 1 . . . A 87 ALA HA . 19798 1 910 . 1 1 87 87 ALA HB1 H 1 1.007 0.020 . 1 . . . A 87 ALA HB1 . 19798 1 911 . 1 1 87 87 ALA HB2 H 1 1.007 0.020 . 1 . . . A 87 ALA HB2 . 19798 1 912 . 1 1 87 87 ALA HB3 H 1 1.007 0.020 . 1 . . . A 87 ALA HB3 . 19798 1 913 . 1 1 87 87 ALA C C 13 174.600 0.3 . 1 . . . A 87 ALA C . 19798 1 914 . 1 1 87 87 ALA CA C 13 51.298 0.3 . 1 . . . A 87 ALA CA . 19798 1 915 . 1 1 87 87 ALA CB C 13 19.833 0.3 . 1 . . . A 87 ALA CB . 19798 1 916 . 1 1 87 87 ALA N N 15 126.350 0.3 . 1 . . . A 87 ALA N . 19798 1 917 . 1 1 88 88 ASP H H 1 7.701 0.020 . 1 . . . A 88 ASP H . 19798 1 918 . 1 1 88 88 ASP HA H 1 5.532 0.020 . 1 . . . A 88 ASP HA . 19798 1 919 . 1 1 88 88 ASP HB2 H 1 2.500 0.020 . 2 . . . A 88 ASP HB2 . 19798 1 920 . 1 1 88 88 ASP HB3 H 1 2.084 0.020 . 2 . . . A 88 ASP HB3 . 19798 1 921 . 1 1 88 88 ASP C C 13 175.300 0.3 . 1 . . . A 88 ASP C . 19798 1 922 . 1 1 88 88 ASP CA C 13 53.338 0.3 . 1 . . . A 88 ASP CA . 19798 1 923 . 1 1 88 88 ASP CB C 13 42.900 0.3 . 1 . . . A 88 ASP CB . 19798 1 924 . 1 1 88 88 ASP N N 15 117.539 0.3 . 1 . . . A 88 ASP N . 19798 1 925 . 1 1 89 89 TYR H H 1 9.004 0.020 . 1 . . . A 89 TYR H . 19798 1 926 . 1 1 89 89 TYR HA H 1 5.700 0.020 . 1 . . . A 89 TYR HA . 19798 1 927 . 1 1 89 89 TYR HB2 H 1 2.840 0.020 . 2 . . . A 89 TYR HB2 . 19798 1 928 . 1 1 89 89 TYR HB3 H 1 2.730 0.020 . 2 . . . A 89 TYR HB3 . 19798 1 929 . 1 1 89 89 TYR HD1 H 1 6.950 0.020 . 1 . . . A 89 TYR HD1 . 19798 1 930 . 1 1 89 89 TYR HD2 H 1 6.950 0.020 . 1 . . . A 89 TYR HD2 . 19798 1 931 . 1 1 89 89 TYR HE1 H 1 6.850 0.020 . 1 . . . A 89 TYR HE1 . 19798 1 932 . 1 1 89 89 TYR HE2 H 1 6.850 0.020 . 1 . . . A 89 TYR HE2 . 19798 1 933 . 1 1 89 89 TYR C C 13 176.800 0.3 . 1 . . . A 89 TYR C . 19798 1 934 . 1 1 89 89 TYR CA C 13 56.800 0.3 . 1 . . . A 89 TYR CA . 19798 1 935 . 1 1 89 89 TYR CB C 13 42.300 0.3 . 1 . . . A 89 TYR CB . 19798 1 936 . 1 1 89 89 TYR N N 15 118.331 0.3 . 1 . . . A 89 TYR N . 19798 1 937 . 1 1 90 90 TYR H H 1 9.366 0.020 . 1 . . . A 90 TYR H . 19798 1 938 . 1 1 90 90 TYR HA H 1 5.216 0.020 . 1 . . . A 90 TYR HA . 19798 1 939 . 1 1 90 90 TYR HB2 H 1 3.040 0.020 . 2 . . . A 90 TYR HB2 . 19798 1 940 . 1 1 90 90 TYR HB3 H 1 2.720 0.020 . 2 . . . A 90 TYR HB3 . 19798 1 941 . 1 1 90 90 TYR HD1 H 1 6.843 0.020 . 3 . . . A 90 TYR HD1 . 19798 1 942 . 1 1 90 90 TYR HD2 H 1 6.843 0.020 . 3 . . . A 90 TYR HD2 . 19798 1 943 . 1 1 90 90 TYR HE1 H 1 6.640 0.020 . 1 . . . A 90 TYR HE1 . 19798 1 944 . 1 1 90 90 TYR HE2 H 1 6.640 0.020 . 1 . . . A 90 TYR HE2 . 19798 1 945 . 1 1 90 90 TYR C C 13 174.900 0.3 . 1 . . . A 90 TYR C . 19798 1 946 . 1 1 90 90 TYR CA C 13 57.300 0.3 . 1 . . . A 90 TYR CA . 19798 1 947 . 1 1 90 90 TYR CB C 13 42.800 0.3 . 1 . . . A 90 TYR CB . 19798 1 948 . 1 1 90 90 TYR N N 15 121.035 0.3 . 1 . . . A 90 TYR N . 19798 1 949 . 1 1 91 91 CYS H H 1 7.609 0.020 . 1 . . . A 91 CYS H . 19798 1 950 . 1 1 91 91 CYS HA H 1 4.970 0.020 . 1 . . . A 91 CYS HA . 19798 1 951 . 1 1 91 91 CYS HB2 H 1 1.814 0.020 . 1 . . . A 91 CYS HB2 . 19798 1 952 . 1 1 91 91 CYS C C 13 173.300 0.3 . 1 . . . A 91 CYS C . 19798 1 953 . 1 1 91 91 CYS CA C 13 52.689 0.3 . 1 . . . A 91 CYS CA . 19798 1 954 . 1 1 91 91 CYS CB C 13 44.837 0.3 . 1 . . . A 91 CYS CB . 19798 1 955 . 1 1 91 91 CYS N N 15 117.277 0.3 . 1 . . . A 91 CYS N . 19798 1 956 . 1 1 92 92 GLN H H 1 8.580 0.020 . 1 . . . A 92 GLN H . 19798 1 957 . 1 1 92 92 GLN HA H 1 4.784 0.020 . 1 . . . A 92 GLN HA . 19798 1 958 . 1 1 92 92 GLN HB2 H 1 1.280 0.020 . 1 . . . A 92 GLN HB2 . 19798 1 959 . 1 1 92 92 GLN HB3 H 1 1.280 0.020 . 1 . . . A 92 GLN HB3 . 19798 1 960 . 1 1 92 92 GLN HG2 H 1 1.600 0.020 . 2 . . . A 92 GLN HG2 . 19798 1 961 . 1 1 92 92 GLN HG3 H 1 1.650 0.020 . 2 . . . A 92 GLN HG3 . 19798 1 962 . 1 1 92 92 GLN C C 13 173.800 0.3 . 1 . . . A 92 GLN C . 19798 1 963 . 1 1 92 92 GLN CA C 13 54.500 0.3 . 1 . . . A 92 GLN CA . 19798 1 964 . 1 1 92 92 GLN CB C 13 32.200 0.3 . 1 . . . A 92 GLN CB . 19798 1 965 . 1 1 92 92 GLN CG C 13 32.400 0.3 . 1 . . . A 92 GLN CG . 19798 1 966 . 1 1 92 92 GLN N N 15 121.452 0.3 . 1 . . . A 92 GLN N . 19798 1 967 . 1 1 93 93 SER H H 1 8.693 0.020 . 1 . . . A 93 SER H . 19798 1 968 . 1 1 93 93 SER HA H 1 4.297 0.020 . 1 . . . A 93 SER HA . 19798 1 969 . 1 1 93 93 SER HB2 H 1 3.844 0.020 . 2 . . . A 93 SER HB2 . 19798 1 970 . 1 1 93 93 SER HB3 H 1 3.361 0.020 . 2 . . . A 93 SER HB3 . 19798 1 971 . 1 1 93 93 SER C C 13 173.800 0.3 . 1 . . . A 93 SER C . 19798 1 972 . 1 1 93 93 SER CA C 13 55.255 0.3 . 1 . . . A 93 SER CA . 19798 1 973 . 1 1 93 93 SER CB C 13 63.852 0.3 . 1 . . . A 93 SER CB . 19798 1 974 . 1 1 93 93 SER N N 15 119.713 0.3 . 1 . . . A 93 SER N . 19798 1 975 . 1 1 94 94 TYR H H 1 8.529 0.020 . 1 . . . A 94 TYR H . 19798 1 976 . 1 1 94 94 TYR HA H 1 5.560 0.020 . 1 . . . A 94 TYR HA . 19798 1 977 . 1 1 94 94 TYR HB2 H 1 2.861 0.020 . 2 . . . A 94 TYR HB2 . 19798 1 978 . 1 1 94 94 TYR HB3 H 1 2.343 0.020 . 2 . . . A 94 TYR HB3 . 19798 1 979 . 1 1 94 94 TYR HD1 H 1 6.803 0.020 . 1 . . . A 94 TYR HD1 . 19798 1 980 . 1 1 94 94 TYR HD2 H 1 6.803 0.020 . 1 . . . A 94 TYR HD2 . 19798 1 981 . 1 1 94 94 TYR HE1 H 1 6.880 0.020 . 1 . . . A 94 TYR HE1 . 19798 1 982 . 1 1 94 94 TYR HE2 H 1 6.880 0.020 . 1 . . . A 94 TYR HE2 . 19798 1 983 . 1 1 94 94 TYR C C 13 174.100 0.3 . 1 . . . A 94 TYR C . 19798 1 984 . 1 1 94 94 TYR CA C 13 56.100 0.3 . 1 . . . A 94 TYR CA . 19798 1 985 . 1 1 94 94 TYR CB C 13 42.767 0.3 . 1 . . . A 94 TYR CB . 19798 1 986 . 1 1 94 94 TYR N N 15 122.271 0.3 . 1 . . . A 94 TYR N . 19798 1 987 . 1 1 95 95 ASP H H 1 8.647 0.020 . 1 . . . A 95 ASP H . 19798 1 988 . 1 1 95 95 ASP HA H 1 4.523 0.020 . 1 . . . A 95 ASP HA . 19798 1 989 . 1 1 95 95 ASP HB2 H 1 3.569 0.020 . 2 . . . A 95 ASP HB2 . 19798 1 990 . 1 1 95 95 ASP HB3 H 1 2.709 0.020 . 2 . . . A 95 ASP HB3 . 19798 1 991 . 1 1 95 95 ASP C C 13 177.800 0.3 . 1 . . . A 95 ASP C . 19798 1 992 . 1 1 95 95 ASP CA C 13 51.351 0.3 . 1 . . . A 95 ASP CA . 19798 1 993 . 1 1 95 95 ASP CB C 13 41.701 0.3 . 1 . . . A 95 ASP CB . 19798 1 994 . 1 1 95 95 ASP N N 15 119.284 0.3 . 1 . . . A 95 ASP N . 19798 1 995 . 1 1 96 96 SER HA H 1 4.178 0.020 . 1 . . . A 96 SER HA . 19798 1 996 . 1 1 96 96 SER HB2 H 1 3.880 0.020 . 1 . . . A 96 SER HB2 . 19798 1 997 . 1 1 96 96 SER HB3 H 1 3.880 0.020 . 1 . . . A 96 SER HB3 . 19798 1 998 . 1 1 96 96 SER C C 13 175.400 0.3 . 1 . . . A 96 SER C . 19798 1 999 . 1 1 96 96 SER CA C 13 60.800 0.3 . 1 . . . A 96 SER CA . 19798 1 1000 . 1 1 96 96 SER CB C 13 62.900 0.3 . 1 . . . A 96 SER CB . 19798 1 1001 . 1 1 97 97 SER H H 1 8.214 0.020 . 1 . . . A 97 SER H . 19798 1 1002 . 1 1 97 97 SER HA H 1 4.511 0.020 . 1 . . . A 97 SER HA . 19798 1 1003 . 1 1 97 97 SER HB2 H 1 3.690 0.020 . 2 . . . A 97 SER HB2 . 19798 1 1004 . 1 1 97 97 SER HB3 H 1 3.540 0.020 . 2 . . . A 97 SER HB3 . 19798 1 1005 . 1 1 97 97 SER C C 13 173.000 0.3 . 1 . . . A 97 SER C . 19798 1 1006 . 1 1 97 97 SER CA C 13 57.292 0.3 . 1 . . . A 97 SER CA . 19798 1 1007 . 1 1 97 97 SER CB C 13 62.560 0.3 . 1 . . . A 97 SER CB . 19798 1 1008 . 1 1 97 97 SER N N 15 118.295 0.3 . 1 . . . A 97 SER N . 19798 1 1009 . 1 1 98 98 ASN H H 1 8.263 0.020 . 1 . . . A 98 ASN H . 19798 1 1010 . 1 1 98 98 ASN HA H 1 4.149 0.020 . 1 . . . A 98 ASN HA . 19798 1 1011 . 1 1 98 98 ASN HB2 H 1 2.963 0.020 . 2 . . . A 98 ASN HB2 . 19798 1 1012 . 1 1 98 98 ASN HB3 H 1 2.686 0.020 . 2 . . . A 98 ASN HB3 . 19798 1 1013 . 1 1 98 98 ASN HD21 H 1 7.350 0.020 . 1 . . . A 98 ASN HD21 . 19798 1 1014 . 1 1 98 98 ASN HD22 H 1 6.522 0.020 . 1 . . . A 98 ASN HD22 . 19798 1 1015 . 1 1 98 98 ASN C C 13 174.300 0.3 . 1 . . . A 98 ASN C . 19798 1 1016 . 1 1 98 98 ASN CA C 13 54.425 0.3 . 1 . . . A 98 ASN CA . 19798 1 1017 . 1 1 98 98 ASN CB C 13 37.018 0.3 . 1 . . . A 98 ASN CB . 19798 1 1018 . 1 1 98 98 ASN N N 15 114.863 0.3 . 1 . . . A 98 ASN N . 19798 1 1019 . 1 1 98 98 ASN ND2 N 15 111.455 0.3 . 1 . . . A 98 ASN ND2 . 19798 1 1020 . 1 1 99 99 HIS H H 1 8.481 0.020 . 1 . . . A 99 HIS H . 19798 1 1021 . 1 1 99 99 HIS HA H 1 5.010 0.020 . 1 . . . A 99 HIS HA . 19798 1 1022 . 1 1 99 99 HIS HB2 H 1 3.320 0.020 . 2 . . . A 99 HIS HB2 . 19798 1 1023 . 1 1 99 99 HIS HB3 H 1 3.150 0.020 . 2 . . . A 99 HIS HB3 . 19798 1 1024 . 1 1 99 99 HIS HD2 H 1 7.200 0.020 . 1 . . . A 99 HIS HD2 . 19798 1 1025 . 1 1 99 99 HIS HE1 H 1 8.530 0.020 . 1 . . . A 99 HIS HE1 . 19798 1 1026 . 1 1 99 99 HIS C C 13 175.100 0.3 . 1 . . . A 99 HIS C . 19798 1 1027 . 1 1 99 99 HIS CA C 13 54.600 0.3 . 1 . . . A 99 HIS CA . 19798 1 1028 . 1 1 99 99 HIS CB C 13 28.700 0.3 . 1 . . . A 99 HIS CB . 19798 1 1029 . 1 1 99 99 HIS N N 15 117.233 0.3 . 1 . . . A 99 HIS N . 19798 1 1030 . 1 1 100 100 VAL HA H 1 3.662 0.020 . 1 . . . A 100 VAL HA . 19798 1 1031 . 1 1 100 100 VAL HB H 1 1.920 0.020 . 1 . . . A 100 VAL HB . 19798 1 1032 . 1 1 100 100 VAL HG11 H 1 0.941 0.020 . 2 . . . A 100 VAL HG11 . 19798 1 1033 . 1 1 100 100 VAL HG12 H 1 0.941 0.020 . 2 . . . A 100 VAL HG12 . 19798 1 1034 . 1 1 100 100 VAL HG13 H 1 0.941 0.020 . 2 . . . A 100 VAL HG13 . 19798 1 1035 . 1 1 100 100 VAL HG21 H 1 0.576 0.020 . 2 . . . A 100 VAL HG21 . 19798 1 1036 . 1 1 100 100 VAL HG22 H 1 0.576 0.020 . 2 . . . A 100 VAL HG22 . 19798 1 1037 . 1 1 100 100 VAL HG23 H 1 0.576 0.020 . 2 . . . A 100 VAL HG23 . 19798 1 1038 . 1 1 100 100 VAL C C 13 175.900 0.3 . 1 . . . A 100 VAL C . 19798 1 1039 . 1 1 100 100 VAL CA C 13 64.000 0.3 . 1 . . . A 100 VAL CA . 19798 1 1040 . 1 1 100 100 VAL CB C 13 32.500 0.3 . 1 . . . A 100 VAL CB . 19798 1 1041 . 1 1 100 100 VAL CG1 C 13 22.613 0.3 . 1 . . . A 100 VAL CG1 . 19798 1 1042 . 1 1 100 100 VAL CG2 C 13 21.453 0.3 . 1 . . . A 100 VAL CG2 . 19798 1 1043 . 1 1 101 101 VAL H H 1 8.032 0.020 . 1 . . . A 101 VAL H . 19798 1 1044 . 1 1 101 101 VAL HA H 1 4.345 0.020 . 1 . . . A 101 VAL HA . 19798 1 1045 . 1 1 101 101 VAL HB H 1 1.585 0.020 . 1 . . . A 101 VAL HB . 19798 1 1046 . 1 1 101 101 VAL HG11 H 1 0.770 0.020 . 2 . . . A 101 VAL HG11 . 19798 1 1047 . 1 1 101 101 VAL HG12 H 1 0.770 0.020 . 2 . . . A 101 VAL HG12 . 19798 1 1048 . 1 1 101 101 VAL HG13 H 1 0.770 0.020 . 2 . . . A 101 VAL HG13 . 19798 1 1049 . 1 1 101 101 VAL HG21 H 1 0.845 0.020 . 2 . . . A 101 VAL HG21 . 19798 1 1050 . 1 1 101 101 VAL HG22 H 1 0.845 0.020 . 2 . . . A 101 VAL HG22 . 19798 1 1051 . 1 1 101 101 VAL HG23 H 1 0.845 0.020 . 2 . . . A 101 VAL HG23 . 19798 1 1052 . 1 1 101 101 VAL C C 13 173.800 0.3 . 1 . . . A 101 VAL C . 19798 1 1053 . 1 1 101 101 VAL CA C 13 60.128 0.3 . 1 . . . A 101 VAL CA . 19798 1 1054 . 1 1 101 101 VAL CB C 13 35.500 0.3 . 1 . . . A 101 VAL CB . 19798 1 1055 . 1 1 101 101 VAL CG1 C 13 21.500 0.3 . 1 . . . A 101 VAL CG1 . 19798 1 1056 . 1 1 101 101 VAL CG2 C 13 21.174 0.3 . 1 . . . A 101 VAL CG2 . 19798 1 1057 . 1 1 101 101 VAL N N 15 125.832 0.3 . 1 . . . A 101 VAL N . 19798 1 1058 . 1 1 102 102 PHE HA H 1 4.943 0.020 . 1 . . . A 102 PHE HA . 19798 1 1059 . 1 1 102 102 PHE HB2 H 1 3.480 0.020 . 2 . . . A 102 PHE HB2 . 19798 1 1060 . 1 1 102 102 PHE HB3 H 1 2.750 0.020 . 2 . . . A 102 PHE HB3 . 19798 1 1061 . 1 1 102 102 PHE HD1 H 1 6.860 0.020 . 1 . . . A 102 PHE HD1 . 19798 1 1062 . 1 1 102 102 PHE HD2 H 1 6.860 0.020 . 1 . . . A 102 PHE HD2 . 19798 1 1063 . 1 1 102 102 PHE HE1 H 1 6.760 0.020 . 1 . . . A 102 PHE HE1 . 19798 1 1064 . 1 1 102 102 PHE HE2 H 1 6.760 0.020 . 1 . . . A 102 PHE HE2 . 19798 1 1065 . 1 1 102 102 PHE C C 13 178.700 0.3 . 1 . . . A 102 PHE C . 19798 1 1066 . 1 1 102 102 PHE CA C 13 57.600 0.3 . 1 . . . A 102 PHE CA . 19798 1 1067 . 1 1 102 102 PHE CB C 13 42.649 0.3 . 1 . . . A 102 PHE CB . 19798 1 1068 . 1 1 103 103 GLY H H 1 8.905 0.020 . 1 . . . A 103 GLY H . 19798 1 1069 . 1 1 103 103 GLY HA2 H 1 4.487 0.020 . 2 . . . A 103 GLY HA2 . 19798 1 1070 . 1 1 103 103 GLY HA3 H 1 4.191 0.020 . 2 . . . A 103 GLY HA3 . 19798 1 1071 . 1 1 103 103 GLY C C 13 174.500 0.3 . 1 . . . A 103 GLY C . 19798 1 1072 . 1 1 103 103 GLY CA C 13 44.215 0.3 . 1 . . . A 103 GLY CA . 19798 1 1073 . 1 1 103 103 GLY N N 15 109.492 0.3 . 1 . . . A 103 GLY N . 19798 1 1074 . 1 1 104 104 GLY HA2 H 1 4.153 0.020 . 2 . . . A 104 GLY HA2 . 19798 1 1075 . 1 1 104 104 GLY HA3 H 1 3.993 0.020 . 2 . . . A 104 GLY HA3 . 19798 1 1076 . 1 1 104 104 GLY C C 13 175.100 0.3 . 1 . . . A 104 GLY C . 19798 1 1077 . 1 1 104 104 GLY CA C 13 45.947 0.3 . 1 . . . A 104 GLY CA . 19798 1 1078 . 1 1 105 105 GLY H H 1 7.007 0.020 . 1 . . . A 105 GLY H . 19798 1 1079 . 1 1 105 105 GLY HA2 H 1 3.856 0.020 . 2 . . . A 105 GLY HA2 . 19798 1 1080 . 1 1 105 105 GLY HA3 H 1 3.127 0.020 . 2 . . . A 105 GLY HA3 . 19798 1 1081 . 1 1 105 105 GLY C C 13 172.500 0.3 . 1 . . . A 105 GLY C . 19798 1 1082 . 1 1 105 105 GLY CA C 13 44.714 0.3 . 1 . . . A 105 GLY CA . 19798 1 1083 . 1 1 105 105 GLY N N 15 106.330 0.3 . 1 . . . A 105 GLY N . 19798 1 1084 . 1 1 106 106 THR H H 1 8.243 0.020 . 1 . . . A 106 THR H . 19798 1 1085 . 1 1 106 106 THR HA H 1 4.700 0.020 . 1 . . . A 106 THR HA . 19798 1 1086 . 1 1 106 106 THR HB H 1 3.615 0.020 . 1 . . . A 106 THR HB . 19798 1 1087 . 1 1 106 106 THR HG21 H 1 0.978 0.020 . 1 . . . A 106 THR HG21 . 19798 1 1088 . 1 1 106 106 THR HG22 H 1 0.978 0.020 . 1 . . . A 106 THR HG22 . 19798 1 1089 . 1 1 106 106 THR HG23 H 1 0.978 0.020 . 1 . . . A 106 THR HG23 . 19798 1 1090 . 1 1 106 106 THR C C 13 173.600 0.3 . 1 . . . A 106 THR C . 19798 1 1091 . 1 1 106 106 THR CA C 13 61.100 0.3 . 1 . . . A 106 THR CA . 19798 1 1092 . 1 1 106 106 THR CB C 13 72.354 0.3 . 1 . . . A 106 THR CB . 19798 1 1093 . 1 1 106 106 THR CG2 C 13 22.553 0.3 . 1 . . . A 106 THR CG2 . 19798 1 1094 . 1 1 106 106 THR N N 15 119.569 0.3 . 1 . . . A 106 THR N . 19798 1 1095 . 1 1 107 107 LYS H H 1 8.287 0.020 . 1 . . . A 107 LYS H . 19798 1 1096 . 1 1 107 107 LYS HA H 1 4.749 0.020 . 1 . . . A 107 LYS HA . 19798 1 1097 . 1 1 107 107 LYS HB2 H 1 1.743 0.020 . 1 . . . A 107 LYS HB2 . 19798 1 1098 . 1 1 107 107 LYS HB3 H 1 1.743 0.020 . 1 . . . A 107 LYS HB3 . 19798 1 1099 . 1 1 107 107 LYS HG2 H 1 1.290 0.020 . 1 . . . A 107 LYS HG2 . 19798 1 1100 . 1 1 107 107 LYS HG3 H 1 1.290 0.020 . 1 . . . A 107 LYS HG3 . 19798 1 1101 . 1 1 107 107 LYS HD2 H 1 1.660 0.020 . 1 . . . A 107 LYS HD2 . 19798 1 1102 . 1 1 107 107 LYS HD3 H 1 1.660 0.020 . 1 . . . A 107 LYS HD3 . 19798 1 1103 . 1 1 107 107 LYS HE2 H 1 2.940 0.020 . 1 . . . A 107 LYS HE2 . 19798 1 1104 . 1 1 107 107 LYS HE3 H 1 2.940 0.020 . 1 . . . A 107 LYS HE3 . 19798 1 1105 . 1 1 107 107 LYS C C 13 174.900 0.3 . 1 . . . A 107 LYS C . 19798 1 1106 . 1 1 107 107 LYS CA C 13 56.400 0.3 . 1 . . . A 107 LYS CA . 19798 1 1107 . 1 1 107 107 LYS CB C 13 32.200 0.3 . 1 . . . A 107 LYS CB . 19798 1 1108 . 1 1 107 107 LYS CG C 13 24.100 0.3 . 1 . . . A 107 LYS CG . 19798 1 1109 . 1 1 107 107 LYS CD C 13 28.400 0.3 . 1 . . . A 107 LYS CD . 19798 1 1110 . 1 1 107 107 LYS CE C 13 41.800 0.3 . 1 . . . A 107 LYS CE . 19798 1 1111 . 1 1 107 107 LYS N N 15 128.850 0.3 . 1 . . . A 107 LYS N . 19798 1 1112 . 1 1 108 108 LEU H H 1 8.937 0.020 . 1 . . . A 108 LEU H . 19798 1 1113 . 1 1 108 108 LEU HA H 1 5.342 0.020 . 1 . . . A 108 LEU HA . 19798 1 1114 . 1 1 108 108 LEU HB2 H 1 2.416 0.020 . 2 . . . A 108 LEU HB2 . 19798 1 1115 . 1 1 108 108 LEU HB3 H 1 1.256 0.020 . 2 . . . A 108 LEU HB3 . 19798 1 1116 . 1 1 108 108 LEU HG H 1 1.380 0.020 . 1 . . . A 108 LEU HG . 19798 1 1117 . 1 1 108 108 LEU HD11 H 1 0.730 0.020 . 2 . . . A 108 LEU HD11 . 19798 1 1118 . 1 1 108 108 LEU HD12 H 1 0.730 0.020 . 2 . . . A 108 LEU HD12 . 19798 1 1119 . 1 1 108 108 LEU HD13 H 1 0.730 0.020 . 2 . . . A 108 LEU HD13 . 19798 1 1120 . 1 1 108 108 LEU HD21 H 1 0.699 0.020 . 2 . . . A 108 LEU HD21 . 19798 1 1121 . 1 1 108 108 LEU HD22 H 1 0.699 0.020 . 2 . . . A 108 LEU HD22 . 19798 1 1122 . 1 1 108 108 LEU HD23 H 1 0.699 0.020 . 2 . . . A 108 LEU HD23 . 19798 1 1123 . 1 1 108 108 LEU C C 13 175.800 0.3 . 1 . . . A 108 LEU C . 19798 1 1124 . 1 1 108 108 LEU CA C 13 54.100 0.3 . 1 . . . A 108 LEU CA . 19798 1 1125 . 1 1 108 108 LEU CB C 13 44.300 0.3 . 1 . . . A 108 LEU CB . 19798 1 1126 . 1 1 108 108 LEU CG C 13 28.500 0.3 . 1 . . . A 108 LEU CG . 19798 1 1127 . 1 1 108 108 LEU CD1 C 13 26.200 0.3 . 1 . . . A 108 LEU CD1 . 19798 1 1128 . 1 1 108 108 LEU CD2 C 13 25.400 0.3 . 1 . . . A 108 LEU CD2 . 19798 1 1129 . 1 1 108 108 LEU N N 15 133.771 0.3 . 1 . . . A 108 LEU N . 19798 1 1130 . 1 1 109 109 THR H H 1 8.631 0.020 . 1 . . . A 109 THR H . 19798 1 1131 . 1 1 109 109 THR HA H 1 4.497 0.020 . 1 . . . A 109 THR HA . 19798 1 1132 . 1 1 109 109 THR HB H 1 3.939 0.020 . 1 . . . A 109 THR HB . 19798 1 1133 . 1 1 109 109 THR HG21 H 1 1.095 0.020 . 1 . . . A 109 THR HG21 . 19798 1 1134 . 1 1 109 109 THR HG22 H 1 1.095 0.020 . 1 . . . A 109 THR HG22 . 19798 1 1135 . 1 1 109 109 THR HG23 H 1 1.095 0.020 . 1 . . . A 109 THR HG23 . 19798 1 1136 . 1 1 109 109 THR C C 13 172.500 0.3 . 1 . . . A 109 THR C . 19798 1 1137 . 1 1 109 109 THR CA C 13 60.847 0.3 . 1 . . . A 109 THR CA . 19798 1 1138 . 1 1 109 109 THR CB C 13 70.441 0.3 . 1 . . . A 109 THR CB . 19798 1 1139 . 1 1 109 109 THR CG2 C 13 21.538 0.3 . 1 . . . A 109 THR CG2 . 19798 1 1140 . 1 1 109 109 THR N N 15 122.701 0.3 . 1 . . . A 109 THR N . 19798 1 1141 . 1 1 110 110 VAL H H 1 8.857 0.020 . 1 . . . A 110 VAL H . 19798 1 1142 . 1 1 110 110 VAL HA H 1 4.816 0.020 . 1 . . . A 110 VAL HA . 19798 1 1143 . 1 1 110 110 VAL HB H 1 1.980 0.020 . 1 . . . A 110 VAL HB . 19798 1 1144 . 1 1 110 110 VAL HG11 H 1 0.738 0.020 . 2 . . . A 110 VAL HG11 . 19798 1 1145 . 1 1 110 110 VAL HG12 H 1 0.738 0.020 . 2 . . . A 110 VAL HG12 . 19798 1 1146 . 1 1 110 110 VAL HG13 H 1 0.738 0.020 . 2 . . . A 110 VAL HG13 . 19798 1 1147 . 1 1 110 110 VAL HG21 H 1 0.790 0.020 . 2 . . . A 110 VAL HG21 . 19798 1 1148 . 1 1 110 110 VAL HG22 H 1 0.790 0.020 . 2 . . . A 110 VAL HG22 . 19798 1 1149 . 1 1 110 110 VAL HG23 H 1 0.790 0.020 . 2 . . . A 110 VAL HG23 . 19798 1 1150 . 1 1 110 110 VAL C C 13 175.400 0.3 . 1 . . . A 110 VAL C . 19798 1 1151 . 1 1 110 110 VAL CA C 13 61.263 0.3 . 1 . . . A 110 VAL CA . 19798 1 1152 . 1 1 110 110 VAL CB C 13 32.188 0.3 . 1 . . . A 110 VAL CB . 19798 1 1153 . 1 1 110 110 VAL CG1 C 13 21.200 0.3 . 1 . . . A 110 VAL CG1 . 19798 1 1154 . 1 1 110 110 VAL CG2 C 13 21.000 0.3 . 1 . . . A 110 VAL CG2 . 19798 1 1155 . 1 1 110 110 VAL N N 15 126.262 0.3 . 1 . . . A 110 VAL N . 19798 1 1156 . 1 1 111 111 LEU H H 1 8.125 0.020 . 1 . . . A 111 LEU H . 19798 1 1157 . 1 1 111 111 LEU HA H 1 3.992 0.020 . 1 . . . A 111 LEU HA . 19798 1 1158 . 1 1 111 111 LEU HB2 H 1 1.480 0.020 . 2 . . . A 111 LEU HB2 . 19798 1 1159 . 1 1 111 111 LEU HB3 H 1 1.380 0.020 . 2 . . . A 111 LEU HB3 . 19798 1 1160 . 1 1 111 111 LEU HG H 1 1.298 0.020 . 1 . . . A 111 LEU HG . 19798 1 1161 . 1 1 111 111 LEU HD11 H 1 0.739 0.020 . 2 . . . A 111 LEU HD11 . 19798 1 1162 . 1 1 111 111 LEU HD12 H 1 0.739 0.020 . 2 . . . A 111 LEU HD12 . 19798 1 1163 . 1 1 111 111 LEU HD13 H 1 0.739 0.020 . 2 . . . A 111 LEU HD13 . 19798 1 1164 . 1 1 111 111 LEU HD21 H 1 0.746 0.020 . 2 . . . A 111 LEU HD21 . 19798 1 1165 . 1 1 111 111 LEU HD22 H 1 0.746 0.020 . 2 . . . A 111 LEU HD22 . 19798 1 1166 . 1 1 111 111 LEU HD23 H 1 0.746 0.020 . 2 . . . A 111 LEU HD23 . 19798 1 1167 . 1 1 111 111 LEU C C 13 181.400 0.3 . 1 . . . A 111 LEU C . 19798 1 1168 . 1 1 111 111 LEU CA C 13 56.900 0.3 . 1 . . . A 111 LEU CA . 19798 1 1169 . 1 1 111 111 LEU CB C 13 43.900 0.3 . 1 . . . A 111 LEU CB . 19798 1 1170 . 1 1 111 111 LEU CG C 13 27.300 0.3 . 1 . . . A 111 LEU CG . 19798 1 1171 . 1 1 111 111 LEU CD1 C 13 24.697 0.3 . 1 . . . A 111 LEU CD1 . 19798 1 1172 . 1 1 111 111 LEU CD2 C 13 22.900 0.3 . 1 . . . A 111 LEU CD2 . 19798 1 1173 . 1 1 111 111 LEU N N 15 134.143 0.3 . 1 . . . A 111 LEU N . 19798 1 stop_ save_