data_19870 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19870 _Entry.Title ; Solution Structure of 6aJL2 Amyloidogenic Light Chain Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-20 _Entry.Accession_date 2014-03-20 _Entry.Last_release_date 2014-06-23 _Entry.Original_release_date 2014-06-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.65 _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 Carlos Amero . . . 19870 2 Robero Maya . C. . 19870 3 Paloma Gil . C. . 19870 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' . 19870 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 6aJL2 . 19870 lambda . 19870 amyloid . 19870 'light chain' . 19870 amyloidosis . 19870 systemic . 19870 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19870 conformer_family_coord_set 1 19870 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 638 19870 '15N chemical shifts' 98 19870 '13C chemical shifts' 384 19870 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 . . 2014-06-23 2014-03-20 original author . 19870 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2W0K '6aJL2 determined by X-ray crystallography' 19870 PDB 2MKW 'BMRB Entry Tracking System' 19870 PDB 2MMX 'BMRB Entry Tracking System' 19870 BMRB 19798 'Solution Structure of 6aJL2-R24G Amyloidogenic Light Chain Protein' 19870 stop_ save_ ############### # Citations # ############### save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID 19870 _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 Robero Maya . C. . 19870 1 2 Paloma Gil . C. . 19870 1 3 Carlos Amero . C. . 19870 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19870 _Assembly.ID 1 _Assembly.Name '6aJL2 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 Amyloidogenic Light Chain Protein' 1 $entity A . yes native no no . . . 19870 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 . 19870 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 . . 19870 1 2 . 1 1 CYS 91 91 HG . 91 . . 19870 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19870 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 6aJL2 _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 SCTRSSGSIASNYVQWYQQR 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 11962.002 _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 99.10 99.10 3.78e-72 . . . . 19870 1 2 no BMRB 19798 . entity . . . . . 100.00 111 99.10 99.10 3.78e-72 . . . . 19870 1 3 no PDB 2MKW . "Solution Structure Of 6ajl2 And 6ajl2-r24g Amyloidogenics Light Chain Proteins" . . . . . 100.00 111 99.10 99.10 3.78e-72 . . . . 19870 1 4 no PDB 2MMX . "Nmr Study Of 6ajl2" . . . . . 100.00 111 100.00 100.00 1.60e-73 . . . . 19870 1 5 no PDB 2W0K . "Crystal Structure Of The Recombinant Variable Domain 6jal2" . . . . . 100.00 111 100.00 100.00 1.60e-73 . . . . 19870 1 6 no PDB 2W0L . "Crystal Structure Of The Mutant H8p From The Recombinant Variable Domain 6jal2" . . . . . 100.00 111 99.10 99.10 7.36e-72 . . . . 19870 1 7 no PDB 3B5G . "Crystal Structure Of The Unstable And Highly Fibrillogenic Pro7ser Mutant Of The Recombinant Variable Domain 6ajl2" . . . . . 100.00 111 99.10 99.10 1.48e-72 . . . . 19870 1 8 no PDB 3BDX . "Crystal Structure Of The Unstable And Highly Fibrillogenic Pro7ser Mutant Of The Recombinant Variable Domain 6ajl2" . . . . . 100.00 111 99.10 99.10 1.48e-72 . . . . 19870 1 9 no PDB 3H0T . "Hepcidin-Fab Complex" . . . . . 100.00 216 97.30 98.20 1.22e-67 . . . . 19870 1 10 no PDB 4RIR . "Structural Analysis Of The Unmutated Ancestor Of The Hiv-1 Envelope V2 Region Antibody Ch58 Isolated From An Rv144 Hiv-1 Vaccin" . . . . . 100.00 216 97.30 98.20 2.32e-59 . . . . 19870 1 11 no PDB 4RIS . "Structural Analysis Of The Unmutated Ancestor Of The Hiv-1 Envelope V2 Region Antibody Ch58 Isolated From An Rv144 Hiv-1 Vaccin" . . . . . 100.00 216 97.30 98.20 2.32e-59 . . . . 19870 1 12 no PDB 5C9K . "Crystal Structure Of A Highly Fibrillogenic Arg24gly Mutant Of The Recombinant Variable Domain 6ajl2" . . . . . 100.00 111 99.10 99.10 3.78e-72 . . . . 19870 1 13 no DBJ BAA19991 . "V1-22 [Homo sapiens]" . . . . . 88.29 98 100.00 100.00 5.80e-63 . . . . 19870 1 14 no DBJ BAC01822 . "immunoglobulin lambda light chain VLJ region [Homo sapiens]" . . . . . 100.00 264 99.10 100.00 2.06e-72 . . . . 19870 1 15 no DBJ BAC01823 . "immunoglobulin lambda light chain VLJ region [Homo sapiens]" . . . . . 100.00 263 100.00 100.00 1.09e-72 . . . . 19870 1 16 no DBJ BAC01857 . "immunoglobulin lambda light chain VLJ region [Homo sapiens]" . . . . . 100.00 261 98.20 99.10 2.80e-71 . . . . 19870 1 17 no DBJ BAC01860 . "immunoglobulin lambda light chain VLJ region [Homo sapiens]" . . . . . 100.00 263 97.30 98.20 1.40e-59 . . . . 19870 1 18 no EMBL CAA85625 . "immunoglobulin lambda chain variable region [Homo sapiens]" . . . . . 100.00 126 97.30 98.20 8.44e-61 . . . . 19870 1 19 no EMBL CAD43014 . "immunoglobulin lambda chain variable region [Homo sapiens]" . . . . . 100.00 112 98.20 98.20 9.75e-71 . . . . 19870 1 20 no EMBL CAJ75494 . "immunoglobulin lambda light chain [Homo sapiens]" . . . . . 71.17 79 97.47 98.73 5.67e-46 . . . . 19870 1 21 no EMBL CAJ75495 . "immunoglobulin lambda light chain [Homo sapiens]" . . . . . 79.28 97 97.73 98.86 3.10e-53 . . . . 19870 1 22 no EMBL CAP74492 . "immunoglobulin lambda variable region [Homo sapiens]" . . . . . 88.29 98 96.94 98.98 1.31e-60 . . . . 19870 1 23 no GB AAB33217 . "immunoglobulin lambda light chain variable region [Homo sapiens]" . . . . . 88.29 98 100.00 100.00 5.80e-63 . . . . 19870 1 24 no GB AAG24684 . "immunoglobulin lambda light chain variable region [Homo sapiens]" . . . . . 84.68 94 97.87 98.94 1.08e-57 . . . . 19870 1 25 no GB AAG24687 . "immunoglobulin lambda light chain variable region [Homo sapiens]" . . . . . 81.98 96 98.90 100.00 3.84e-56 . . . . 19870 1 26 no GB AAG24688 . "immunoglobulin lambda light chain variable region, partial [Homo sapiens]" . . . . . 84.68 94 97.87 98.94 1.08e-57 . . . . 19870 1 27 no GB AAG24689 . "immunoglobulin lambda light chain variable region [Homo sapiens]" . . . . . 81.98 94 97.80 98.90 1.74e-55 . . . . 19870 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 . 19870 1 2 2 PHE . 19870 1 3 3 MET . 19870 1 4 4 LEU . 19870 1 5 5 THR . 19870 1 6 6 GLN . 19870 1 7 7 PRO . 19870 1 8 8 HIS . 19870 1 9 9 SER . 19870 1 10 10 VAL . 19870 1 11 11 SER . 19870 1 12 12 GLU . 19870 1 13 13 SER . 19870 1 14 14 PRO . 19870 1 15 15 GLY . 19870 1 16 16 LYS . 19870 1 17 17 THR . 19870 1 18 18 VAL . 19870 1 19 19 THR . 19870 1 20 20 ILE . 19870 1 21 21 SER . 19870 1 22 22 CYS . 19870 1 23 23 THR . 19870 1 24 24 ARG . 19870 1 25 25 SER . 19870 1 26 26 SER . 19870 1 27 27 GLY . 19870 1 28 28 SER . 19870 1 29 29 ILE . 19870 1 30 30 ALA . 19870 1 31 31 SER . 19870 1 32 32 ASN . 19870 1 33 33 TYR . 19870 1 34 34 VAL . 19870 1 35 35 GLN . 19870 1 36 36 TRP . 19870 1 37 37 TYR . 19870 1 38 38 GLN . 19870 1 39 39 GLN . 19870 1 40 40 ARG . 19870 1 41 41 PRO . 19870 1 42 42 GLY . 19870 1 43 43 SER . 19870 1 44 44 SER . 19870 1 45 45 PRO . 19870 1 46 46 THR . 19870 1 47 47 THR . 19870 1 48 48 VAL . 19870 1 49 49 ILE . 19870 1 50 50 TYR . 19870 1 51 51 GLU . 19870 1 52 52 ASP . 19870 1 53 53 ASN . 19870 1 54 54 GLN . 19870 1 55 55 ARG . 19870 1 56 56 PRO . 19870 1 57 57 SER . 19870 1 58 58 GLY . 19870 1 59 59 VAL . 19870 1 60 60 PRO . 19870 1 61 61 ASP . 19870 1 62 62 ARG . 19870 1 63 63 PHE . 19870 1 64 64 SER . 19870 1 65 65 GLY . 19870 1 66 66 SER . 19870 1 67 67 ILE . 19870 1 68 68 ASP . 19870 1 69 69 SER . 19870 1 70 70 SER . 19870 1 71 71 SER . 19870 1 72 72 ASN . 19870 1 73 73 SER . 19870 1 74 74 ALA . 19870 1 75 75 SER . 19870 1 76 76 LEU . 19870 1 77 77 THR . 19870 1 78 78 ILE . 19870 1 79 79 SER . 19870 1 80 80 GLY . 19870 1 81 81 LEU . 19870 1 82 82 LYS . 19870 1 83 83 THR . 19870 1 84 84 GLU . 19870 1 85 85 ASP . 19870 1 86 86 GLU . 19870 1 87 87 ALA . 19870 1 88 88 ASP . 19870 1 89 89 TYR . 19870 1 90 90 TYR . 19870 1 91 91 CYS . 19870 1 92 92 GLN . 19870 1 93 93 SER . 19870 1 94 94 TYR . 19870 1 95 95 ASP . 19870 1 96 96 SER . 19870 1 97 97 SER . 19870 1 98 98 ASN . 19870 1 99 99 HIS . 19870 1 100 100 VAL . 19870 1 101 101 VAL . 19870 1 102 102 PHE . 19870 1 103 103 GLY . 19870 1 104 104 GLY . 19870 1 105 105 GLY . 19870 1 106 106 THR . 19870 1 107 107 LYS . 19870 1 108 108 LEU . 19870 1 109 109 THR . 19870 1 110 110 VAL . 19870 1 111 111 LEU . 19870 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 19870 1 . PHE 2 2 19870 1 . MET 3 3 19870 1 . LEU 4 4 19870 1 . THR 5 5 19870 1 . GLN 6 6 19870 1 . PRO 7 7 19870 1 . HIS 8 8 19870 1 . SER 9 9 19870 1 . VAL 10 10 19870 1 . SER 11 11 19870 1 . GLU 12 12 19870 1 . SER 13 13 19870 1 . PRO 14 14 19870 1 . GLY 15 15 19870 1 . LYS 16 16 19870 1 . THR 17 17 19870 1 . VAL 18 18 19870 1 . THR 19 19 19870 1 . ILE 20 20 19870 1 . SER 21 21 19870 1 . CYS 22 22 19870 1 . THR 23 23 19870 1 . ARG 24 24 19870 1 . SER 25 25 19870 1 . SER 26 26 19870 1 . GLY 27 27 19870 1 . SER 28 28 19870 1 . ILE 29 29 19870 1 . ALA 30 30 19870 1 . SER 31 31 19870 1 . ASN 32 32 19870 1 . TYR 33 33 19870 1 . VAL 34 34 19870 1 . GLN 35 35 19870 1 . TRP 36 36 19870 1 . TYR 37 37 19870 1 . GLN 38 38 19870 1 . GLN 39 39 19870 1 . ARG 40 40 19870 1 . PRO 41 41 19870 1 . GLY 42 42 19870 1 . SER 43 43 19870 1 . SER 44 44 19870 1 . PRO 45 45 19870 1 . THR 46 46 19870 1 . THR 47 47 19870 1 . VAL 48 48 19870 1 . ILE 49 49 19870 1 . TYR 50 50 19870 1 . GLU 51 51 19870 1 . ASP 52 52 19870 1 . ASN 53 53 19870 1 . GLN 54 54 19870 1 . ARG 55 55 19870 1 . PRO 56 56 19870 1 . SER 57 57 19870 1 . GLY 58 58 19870 1 . VAL 59 59 19870 1 . PRO 60 60 19870 1 . ASP 61 61 19870 1 . ARG 62 62 19870 1 . PHE 63 63 19870 1 . SER 64 64 19870 1 . GLY 65 65 19870 1 . SER 66 66 19870 1 . ILE 67 67 19870 1 . ASP 68 68 19870 1 . SER 69 69 19870 1 . SER 70 70 19870 1 . SER 71 71 19870 1 . ASN 72 72 19870 1 . SER 73 73 19870 1 . ALA 74 74 19870 1 . SER 75 75 19870 1 . LEU 76 76 19870 1 . THR 77 77 19870 1 . ILE 78 78 19870 1 . SER 79 79 19870 1 . GLY 80 80 19870 1 . LEU 81 81 19870 1 . LYS 82 82 19870 1 . THR 83 83 19870 1 . GLU 84 84 19870 1 . ASP 85 85 19870 1 . GLU 86 86 19870 1 . ALA 87 87 19870 1 . ASP 88 88 19870 1 . TYR 89 89 19870 1 . TYR 90 90 19870 1 . CYS 91 91 19870 1 . GLN 92 92 19870 1 . SER 93 93 19870 1 . TYR 94 94 19870 1 . ASP 95 95 19870 1 . SER 96 96 19870 1 . SER 97 97 19870 1 . ASN 98 98 19870 1 . HIS 99 99 19870 1 . VAL 100 100 19870 1 . VAL 101 101 19870 1 . PHE 102 102 19870 1 . GLY 103 103 19870 1 . GLY 104 104 19870 1 . GLY 105 105 19870 1 . THR 106 106 19870 1 . LYS 107 107 19870 1 . LEU 108 108 19870 1 . THR 109 109 19870 1 . VAL 110 110 19870 1 . LEU 111 111 19870 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 19870 _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 . . . . . . . . . . . . . . . . . . . . . 19870 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 19870 _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' . . . Escherichia coli . . . . . . . . . . . . . . . . pET27 . . . . . . 19870 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19870 _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 'sodium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 19870 1 2 'sodium chloride' 'natural abundance' . . . . . salt 75 . . mM . . . . 19870 1 3 D2O . . . . . . solvent 5 . . % . . . . 19870 1 4 6aJL2 '[U-100% 15N]' . . 1 $entity . protein 1 . . mM . . . . 19870 1 5 H2O . . . . . . solvent 95 . . % . . . . 19870 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19870 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 19870 2 2 'sodium chloride' 'natural abundance' . . . . . salt 75 . . mM . . . . 19870 2 3 D2O . . . . . . solvent 5 . . % . . . . 19870 2 4 6aJL2 '[U-100% 13C; U-100% 15N]' . . 1 $entity . protein 1 . . mM . . . . 19870 2 5 H2O . . . . . . solvent 95 . . % . . . . 19870 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 19870 _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 temperature 298 0.1 K 19870 1 pH 7.4 0.1 pH 19870 1 pressure 1 . atm 19870 1 'ionic strength' 75 . mM 19870 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19870 _Software.ID 1 _Software.Name NMRView _Software.Version 5.2.2_01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . info@onemoonscientific.com 19870 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 19870 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19870 _Software.ID 2 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . xplor-nih@nmr.cit.nih.gov 19870 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19870 2 refinement 19870 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19870 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19870 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19870 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19870 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19870 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19870 4 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19870 _Software.ID 5 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rochus L.J. Keller' . . 19870 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19870 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19870 _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 19870 _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 'VNMR-S spectrometer' . . 19870 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 19870 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19870 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19870 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19870 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19870 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19870 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19870 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19870 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19870 1 9 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19870 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19870 1 11 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19870 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 19870 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1 . . . . . . . . . 19870 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19870 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19870 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19870 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 19870 1 2 '2D 1H-13C HSQC' 2 $sample_2 isotropic 19870 1 3 '3D HNCACB' 2 $sample_2 isotropic 19870 1 4 '3D HNCA' 2 $sample_2 isotropic 19870 1 5 '3D 1H-15N NOESY' 1 $sample_1 isotropic 19870 1 6 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 19870 1 8 '3D CBCA(CO)NH' 2 $sample_2 isotropic 19870 1 9 '3D HNCO' 2 $sample_2 isotropic 19870 1 10 '3D HCCH-TOCSY' 2 $sample_2 isotropic 19870 1 11 '3D HCACO' 2 $sample_2 isotropic 19870 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 5 $CARA . . 19870 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 4.783 0.020 . 1 . . . A 1 ASN HA . 19870 1 2 . 1 1 1 1 ASN HB2 H 1 2.447 0.020 . 2 . . . A 1 ASN HB2 . 19870 1 3 . 1 1 1 1 ASN HB3 H 1 2.540 0.020 . 2 . . . A 1 ASN HB3 . 19870 1 4 . 1 1 1 1 ASN HD21 H 1 7.646 0.020 . 1 . . . A 1 ASN HD21 . 19870 1 5 . 1 1 1 1 ASN HD22 H 1 7.381 0.020 . 1 . . . A 1 ASN HD22 . 19870 1 6 . 1 1 1 1 ASN ND2 N 15 113.375 0.3 . 1 . . . A 1 ASN ND2 . 19870 1 7 . 1 1 2 2 PHE HA H 1 4.836 0.020 . 1 . . . A 2 PHE HA . 19870 1 8 . 1 1 2 2 PHE HB2 H 1 3.360 0.020 . 2 . . . A 2 PHE HB2 . 19870 1 9 . 1 1 2 2 PHE HB3 H 1 2.696 0.020 . 2 . . . A 2 PHE HB3 . 19870 1 10 . 1 1 2 2 PHE HD1 H 1 6.961 0.020 . 3 . . . A 2 PHE HD1 . 19870 1 11 . 1 1 2 2 PHE HD2 H 1 6.976 0.020 . 3 . . . A 2 PHE HD2 . 19870 1 12 . 1 1 2 2 PHE HE1 H 1 6.890 0.020 . 1 . . . A 2 PHE HE1 . 19870 1 13 . 1 1 2 2 PHE HE2 H 1 6.890 0.020 . 1 . . . A 2 PHE HE2 . 19870 1 14 . 1 1 2 2 PHE HZ H 1 7.080 0.020 . 1 . . . A 2 PHE HZ . 19870 1 15 . 1 1 2 2 PHE C C 13 174.202 0.3 . 1 . . . A 2 PHE C . 19870 1 16 . 1 1 2 2 PHE CA C 13 57.584 0.3 . 1 . . . A 2 PHE CA . 19870 1 17 . 1 1 2 2 PHE CB C 13 41.173 0.3 . 1 . . . A 2 PHE CB . 19870 1 18 . 1 1 3 3 MET H H 1 8.895 0.020 . 1 . . . A 3 MET H . 19870 1 19 . 1 1 3 3 MET HA H 1 4.701 0.020 . 1 . . . A 3 MET HA . 19870 1 20 . 1 1 3 3 MET HB2 H 1 2.014 0.020 . 2 . . . A 3 MET HB2 . 19870 1 21 . 1 1 3 3 MET HB3 H 1 1.955 0.020 . 2 . . . A 3 MET HB3 . 19870 1 22 . 1 1 3 3 MET HG2 H 1 2.595 0.020 . 2 . . . A 3 MET HG2 . 19870 1 23 . 1 1 3 3 MET HG3 H 1 2.536 0.020 . 2 . . . A 3 MET HG3 . 19870 1 24 . 1 1 3 3 MET HE1 H 1 2.125 0.020 . 1 . . . A 3 MET HE1 . 19870 1 25 . 1 1 3 3 MET HE2 H 1 2.125 0.020 . 1 . . . A 3 MET HE2 . 19870 1 26 . 1 1 3 3 MET HE3 H 1 2.125 0.020 . 1 . . . A 3 MET HE3 . 19870 1 27 . 1 1 3 3 MET C C 13 175.332 0.3 . 1 . . . A 3 MET C . 19870 1 28 . 1 1 3 3 MET CA C 13 53.526 0.3 . 1 . . . A 3 MET CA . 19870 1 29 . 1 1 3 3 MET CB C 13 35.688 0.3 . 1 . . . A 3 MET CB . 19870 1 30 . 1 1 3 3 MET CG C 13 31.728 0.3 . 1 . . . A 3 MET CG . 19870 1 31 . 1 1 3 3 MET CE C 13 16.837 0.3 . 1 . . . A 3 MET CE . 19870 1 32 . 1 1 3 3 MET N N 15 116.859 0.3 . 1 . . . A 3 MET N . 19870 1 33 . 1 1 4 4 LEU H H 1 8.725 0.020 . 1 . . . A 4 LEU H . 19870 1 34 . 1 1 4 4 LEU HA H 1 5.199 0.020 . 1 . . . A 4 LEU HA . 19870 1 35 . 1 1 4 4 LEU HB2 H 1 1.502 0.020 . 2 . . . A 4 LEU HB2 . 19870 1 36 . 1 1 4 4 LEU HB3 H 1 1.453 0.020 . 2 . . . A 4 LEU HB3 . 19870 1 37 . 1 1 4 4 LEU HG H 1 0.773 0.020 . 1 . . . A 4 LEU HG . 19870 1 38 . 1 1 4 4 LEU HD11 H 1 0.586 0.020 . 2 . . . A 4 LEU HD11 . 19870 1 39 . 1 1 4 4 LEU HD12 H 1 0.586 0.020 . 2 . . . A 4 LEU HD12 . 19870 1 40 . 1 1 4 4 LEU HD13 H 1 0.586 0.020 . 2 . . . A 4 LEU HD13 . 19870 1 41 . 1 1 4 4 LEU HD21 H 1 0.675 0.020 . 2 . . . A 4 LEU HD21 . 19870 1 42 . 1 1 4 4 LEU HD22 H 1 0.675 0.020 . 2 . . . A 4 LEU HD22 . 19870 1 43 . 1 1 4 4 LEU HD23 H 1 0.675 0.020 . 2 . . . A 4 LEU HD23 . 19870 1 44 . 1 1 4 4 LEU C C 13 175.332 0.3 . 1 . . . A 4 LEU C . 19870 1 45 . 1 1 4 4 LEU CA C 13 53.615 0.3 . 1 . . . A 4 LEU CA . 19870 1 46 . 1 1 4 4 LEU CB C 13 43.760 0.3 . 1 . . . A 4 LEU CB . 19870 1 47 . 1 1 4 4 LEU CG C 13 25.800 0.3 . 1 . . . A 4 LEU CG . 19870 1 48 . 1 1 4 4 LEU CD1 C 13 26.000 0.3 . 1 . . . A 4 LEU CD1 . 19870 1 49 . 1 1 4 4 LEU CD2 C 13 23.600 0.3 . 1 . . . A 4 LEU CD2 . 19870 1 50 . 1 1 4 4 LEU N N 15 122.767 0.3 . 1 . . . A 4 LEU N . 19870 1 51 . 1 1 5 5 THR H H 1 8.971 0.020 . 1 . . . A 5 THR H . 19870 1 52 . 1 1 5 5 THR HA H 1 4.779 0.020 . 1 . . . A 5 THR HA . 19870 1 53 . 1 1 5 5 THR HB H 1 4.022 0.020 . 1 . . . A 5 THR HB . 19870 1 54 . 1 1 5 5 THR HG21 H 1 1.256 0.020 . 1 . . . A 5 THR HG21 . 19870 1 55 . 1 1 5 5 THR HG22 H 1 1.256 0.020 . 1 . . . A 5 THR HG22 . 19870 1 56 . 1 1 5 5 THR HG23 H 1 1.256 0.020 . 1 . . . A 5 THR HG23 . 19870 1 57 . 1 1 5 5 THR C C 13 174.310 0.3 . 1 . . . A 5 THR C . 19870 1 58 . 1 1 5 5 THR CA C 13 61.464 0.3 . 1 . . . A 5 THR CA . 19870 1 59 . 1 1 5 5 THR CB C 13 69.848 0.3 . 1 . . . A 5 THR CB . 19870 1 60 . 1 1 5 5 THR CG2 C 13 21.219 0.3 . 1 . . . A 5 THR CG2 . 19870 1 61 . 1 1 5 5 THR N N 15 117.587 0.3 . 1 . . . A 5 THR N . 19870 1 62 . 1 1 6 6 GLN H H 1 9.411 0.020 . 1 . . . A 6 GLN H . 19870 1 63 . 1 1 6 6 GLN HA H 1 5.354 0.020 . 1 . . . A 6 GLN HA . 19870 1 64 . 1 1 6 6 GLN HB2 H 1 2.464 0.020 . 2 . . . A 6 GLN HB2 . 19870 1 65 . 1 1 6 6 GLN HB3 H 1 1.876 0.020 . 2 . . . A 6 GLN HB3 . 19870 1 66 . 1 1 6 6 GLN HG2 H 1 2.830 0.020 . 2 . . . A 6 GLN HG2 . 19870 1 67 . 1 1 6 6 GLN HG3 H 1 2.000 0.020 . 2 . . . A 6 GLN HG3 . 19870 1 68 . 1 1 6 6 GLN HE21 H 1 6.508 0.020 . 1 . . . A 6 GLN HE21 . 19870 1 69 . 1 1 6 6 GLN HE22 H 1 7.375 0.020 . 1 . . . A 6 GLN HE22 . 19870 1 70 . 1 1 6 6 GLN C C 13 173.900 0.3 . 1 . . . A 6 GLN C . 19870 1 71 . 1 1 6 6 GLN CA C 13 52.055 0.3 . 1 . . . A 6 GLN CA . 19870 1 72 . 1 1 6 6 GLN CB C 13 31.853 0.3 . 1 . . . A 6 GLN CB . 19870 1 73 . 1 1 6 6 GLN CG C 13 36.004 0.3 . 1 . . . A 6 GLN CG . 19870 1 74 . 1 1 6 6 GLN N N 15 126.713 0.3 . 1 . . . A 6 GLN N . 19870 1 75 . 1 1 6 6 GLN NE2 N 15 111.834 0.3 . 1 . . . A 6 GLN NE2 . 19870 1 76 . 1 1 8 8 HIS HA H 1 4.570 0.020 . 1 . . . A 8 HIS HA . 19870 1 77 . 1 1 8 8 HIS HB2 H 1 3.250 0.020 . 2 . . . A 8 HIS HB2 . 19870 1 78 . 1 1 8 8 HIS HB3 H 1 3.304 0.020 . 2 . . . A 8 HIS HB3 . 19870 1 79 . 1 1 8 8 HIS HD2 H 1 7.500 0.020 . 1 . . . A 8 HIS HD2 . 19870 1 80 . 1 1 8 8 HIS HE1 H 1 8.680 0.020 . 1 . . . A 8 HIS HE1 . 19870 1 81 . 1 1 8 8 HIS C C 13 176.679 0.3 . 1 . . . A 8 HIS C . 19870 1 82 . 1 1 8 8 HIS CA C 13 58.562 0.3 . 1 . . . A 8 HIS CA . 19870 1 83 . 1 1 8 8 HIS CB C 13 28.354 0.3 . 1 . . . A 8 HIS CB . 19870 1 84 . 1 1 9 9 SER H H 1 7.889 0.020 . 1 . . . A 9 SER H . 19870 1 85 . 1 1 9 9 SER HA H 1 5.362 0.020 . 1 . . . A 9 SER HA . 19870 1 86 . 1 1 9 9 SER HB2 H 1 4.811 0.020 . 2 . . . A 9 SER HB2 . 19870 1 87 . 1 1 9 9 SER HB3 H 1 3.865 0.020 . 2 . . . A 9 SER HB3 . 19870 1 88 . 1 1 9 9 SER C C 13 172.452 0.3 . 1 . . . A 9 SER C . 19870 1 89 . 1 1 9 9 SER CA C 13 57.045 0.3 . 1 . . . A 9 SER CA . 19870 1 90 . 1 1 9 9 SER CB C 13 65.283 0.3 . 1 . . . A 9 SER CB . 19870 1 91 . 1 1 9 9 SER N N 15 110.723 0.3 . 1 . . . A 9 SER N . 19870 1 92 . 1 1 10 10 VAL H H 1 8.582 0.020 . 1 . . . A 10 VAL H . 19870 1 93 . 1 1 10 10 VAL HA H 1 4.452 0.020 . 1 . . . A 10 VAL HA . 19870 1 94 . 1 1 10 10 VAL HB H 1 1.863 0.020 . 1 . . . A 10 VAL HB . 19870 1 95 . 1 1 10 10 VAL HG11 H 1 0.930 0.020 . 2 . . . A 10 VAL HG11 . 19870 1 96 . 1 1 10 10 VAL HG12 H 1 0.930 0.020 . 2 . . . A 10 VAL HG12 . 19870 1 97 . 1 1 10 10 VAL HG13 H 1 0.930 0.020 . 2 . . . A 10 VAL HG13 . 19870 1 98 . 1 1 10 10 VAL HG21 H 1 0.842 0.020 . 2 . . . A 10 VAL HG21 . 19870 1 99 . 1 1 10 10 VAL HG22 H 1 0.842 0.020 . 2 . . . A 10 VAL HG22 . 19870 1 100 . 1 1 10 10 VAL HG23 H 1 0.842 0.020 . 2 . . . A 10 VAL HG23 . 19870 1 101 . 1 1 10 10 VAL C C 13 173.474 0.3 . 1 . . . A 10 VAL C . 19870 1 102 . 1 1 10 10 VAL CA C 13 61.020 0.3 . 1 . . . A 10 VAL CA . 19870 1 103 . 1 1 10 10 VAL CB C 13 36.045 0.3 . 1 . . . A 10 VAL CB . 19870 1 104 . 1 1 10 10 VAL CG1 C 13 21.526 0.3 . 1 . . . A 10 VAL CG1 . 19870 1 105 . 1 1 10 10 VAL CG2 C 13 21.300 0.3 . 1 . . . A 10 VAL CG2 . 19870 1 106 . 1 1 10 10 VAL N N 15 120.425 0.3 . 1 . . . A 10 VAL N . 19870 1 107 . 1 1 11 11 SER H H 1 8.288 0.020 . 1 . . . A 11 SER H . 19870 1 108 . 1 1 11 11 SER HA H 1 5.765 0.020 . 1 . . . A 11 SER HA . 19870 1 109 . 1 1 11 11 SER HB2 H 1 3.688 0.020 . 2 . . . A 11 SER HB2 . 19870 1 110 . 1 1 11 11 SER HB3 H 1 3.586 0.020 . 2 . . . A 11 SER HB3 . 19870 1 111 . 1 1 11 11 SER C C 13 173.118 0.3 . 1 . . . A 11 SER C . 19870 1 112 . 1 1 11 11 SER CA C 13 56.068 0.3 . 1 . . . A 11 SER CA . 19870 1 113 . 1 1 11 11 SER CB C 13 65.611 0.3 . 1 . . . A 11 SER CB . 19870 1 114 . 1 1 11 11 SER N N 15 118.694 0.3 . 1 . . . A 11 SER N . 19870 1 115 . 1 1 12 12 GLU H H 1 8.206 0.020 . 1 . . . A 12 GLU H . 19870 1 116 . 1 1 12 12 GLU HA H 1 4.571 0.020 . 1 . . . A 12 GLU HA . 19870 1 117 . 1 1 12 12 GLU HB2 H 1 1.800 0.020 . 2 . . . A 12 GLU HB2 . 19870 1 118 . 1 1 12 12 GLU HB3 H 1 1.590 0.020 . 2 . . . A 12 GLU HB3 . 19870 1 119 . 1 1 12 12 GLU HG2 H 1 2.516 0.020 . 2 . . . A 12 GLU HG2 . 19870 1 120 . 1 1 12 12 GLU HG3 H 1 2.437 0.020 . 2 . . . A 12 GLU HG3 . 19870 1 121 . 1 1 12 12 GLU C C 13 174.200 0.3 . 1 . . . A 12 GLU C . 19870 1 122 . 1 1 12 12 GLU CA C 13 54.418 0.3 . 1 . . . A 12 GLU CA . 19870 1 123 . 1 1 12 12 GLU CB C 13 35.019 0.3 . 1 . . . A 12 GLU CB . 19870 1 124 . 1 1 12 12 GLU CG C 13 36.775 0.3 . 1 . . . A 12 GLU CG . 19870 1 125 . 1 1 12 12 GLU N N 15 123.688 0.3 . 1 . . . A 12 GLU N . 19870 1 126 . 1 1 13 13 SER H H 1 9.665 0.020 . 1 . . . A 13 SER H . 19870 1 127 . 1 1 13 13 SER HA H 1 4.840 0.020 . 1 . . . A 13 SER HA . 19870 1 128 . 1 1 13 13 SER HB2 H 1 3.943 0.020 . 2 . . . A 13 SER HB2 . 19870 1 129 . 1 1 13 13 SER HB3 H 1 3.599 0.020 . 2 . . . A 13 SER HB3 . 19870 1 130 . 1 1 13 13 SER C C 13 170.915 0.3 . 1 . . . A 13 SER C . 19870 1 131 . 1 1 13 13 SER CA C 13 57.406 0.3 . 1 . . . A 13 SER CA . 19870 1 132 . 1 1 13 13 SER CB C 13 62.668 0.3 . 1 . . . A 13 SER CB . 19870 1 133 . 1 1 13 13 SER N N 15 119.292 0.3 . 1 . . . A 13 SER N . 19870 1 134 . 1 1 14 14 PRO HA H 1 3.944 0.020 . 1 . . . A 14 PRO HA . 19870 1 135 . 1 1 14 14 PRO HB2 H 1 2.201 0.020 . 2 . . . A 14 PRO HB2 . 19870 1 136 . 1 1 14 14 PRO HB3 H 1 1.807 0.020 . 2 . . . A 14 PRO HB3 . 19870 1 137 . 1 1 14 14 PRO C C 13 177.624 0.3 . 1 . . . A 14 PRO C . 19870 1 138 . 1 1 14 14 PRO CA C 13 63.248 0.3 . 1 . . . A 14 PRO CA . 19870 1 139 . 1 1 14 14 PRO CB C 13 31.541 0.3 . 1 . . . A 14 PRO CB . 19870 1 140 . 1 1 15 15 GLY H H 1 10.059 0.020 . 1 . . . A 15 GLY H . 19870 1 141 . 1 1 15 15 GLY HA2 H 1 4.323 0.020 . 2 . . . A 15 GLY HA2 . 19870 1 142 . 1 1 15 15 GLY HA3 H 1 3.383 0.020 . 2 . . . A 15 GLY HA3 . 19870 1 143 . 1 1 15 15 GLY C C 13 174.697 0.3 . 1 . . . A 15 GLY C . 19870 1 144 . 1 1 15 15 GLY CA C 13 44.696 0.3 . 1 . . . A 15 GLY CA . 19870 1 145 . 1 1 15 15 GLY N N 15 111.980 0.3 . 1 . . . A 15 GLY N . 19870 1 146 . 1 1 16 16 LYS H H 1 7.183 0.020 . 1 . . . A 16 LYS H . 19870 1 147 . 1 1 16 16 LYS HA H 1 4.479 0.020 . 1 . . . A 16 LYS HA . 19870 1 148 . 1 1 16 16 LYS HB2 H 1 1.908 0.020 . 2 . . . A 16 LYS HB2 . 19870 1 149 . 1 1 16 16 LYS HB3 H 1 1.880 0.020 . 2 . . . A 16 LYS HB3 . 19870 1 150 . 1 1 16 16 LYS HG2 H 1 1.216 0.020 . 2 . . . A 16 LYS HG2 . 19870 1 151 . 1 1 16 16 LYS HG3 H 1 1.166 0.020 . 2 . . . A 16 LYS HG3 . 19870 1 152 . 1 1 16 16 LYS HD2 H 1 1.605 0.020 . 2 . . . A 16 LYS HD2 . 19870 1 153 . 1 1 16 16 LYS HD3 H 1 1.620 0.020 . 2 . . . A 16 LYS HD3 . 19870 1 154 . 1 1 16 16 LYS HE2 H 1 2.990 0.020 . 1 . . . A 16 LYS HE2 . 19870 1 155 . 1 1 16 16 LYS HE3 H 1 2.990 0.020 . 1 . . . A 16 LYS HE3 . 19870 1 156 . 1 1 16 16 LYS C C 13 174.202 0.3 . 1 . . . A 16 LYS C . 19870 1 157 . 1 1 16 16 LYS CA C 13 54.733 0.3 . 1 . . . A 16 LYS CA . 19870 1 158 . 1 1 16 16 LYS CB C 13 32.113 0.3 . 1 . . . A 16 LYS CB . 19870 1 159 . 1 1 16 16 LYS CG C 13 24.880 0.3 . 1 . . . A 16 LYS CG . 19870 1 160 . 1 1 16 16 LYS CD C 13 27.900 0.3 . 1 . . . A 16 LYS CD . 19870 1 161 . 1 1 16 16 LYS CE C 13 42.200 0.3 . 1 . . . A 16 LYS CE . 19870 1 162 . 1 1 16 16 LYS N N 15 121.029 0.3 . 1 . . . A 16 LYS N . 19870 1 163 . 1 1 17 17 THR H H 1 8.033 0.020 . 1 . . . A 17 THR H . 19870 1 164 . 1 1 17 17 THR HA H 1 5.385 0.020 . 1 . . . A 17 THR HA . 19870 1 165 . 1 1 17 17 THR HB H 1 3.827 0.020 . 1 . . . A 17 THR HB . 19870 1 166 . 1 1 17 17 THR HG21 H 1 0.896 0.020 . 1 . . . A 17 THR HG21 . 19870 1 167 . 1 1 17 17 THR HG22 H 1 0.896 0.020 . 1 . . . A 17 THR HG22 . 19870 1 168 . 1 1 17 17 THR HG23 H 1 0.896 0.020 . 1 . . . A 17 THR HG23 . 19870 1 169 . 1 1 17 17 THR C C 13 173.800 0.3 . 1 . . . A 17 THR C . 19870 1 170 . 1 1 17 17 THR CA C 13 61.165 0.3 . 1 . . . A 17 THR CA . 19870 1 171 . 1 1 17 17 THR CB C 13 70.342 0.3 . 1 . . . A 17 THR CB . 19870 1 172 . 1 1 17 17 THR CG2 C 13 21.500 0.3 . 1 . . . A 17 THR CG2 . 19870 1 173 . 1 1 17 17 THR N N 15 115.372 0.3 . 1 . . . A 17 THR N . 19870 1 174 . 1 1 18 18 VAL H H 1 8.550 0.020 . 1 . . . A 18 VAL H . 19870 1 175 . 1 1 18 18 VAL HA H 1 4.564 0.020 . 1 . . . A 18 VAL HA . 19870 1 176 . 1 1 18 18 VAL HB H 1 1.673 0.020 . 1 . . . A 18 VAL HB . 19870 1 177 . 1 1 18 18 VAL HG11 H 1 0.721 0.020 . 2 . . . A 18 VAL HG11 . 19870 1 178 . 1 1 18 18 VAL HG12 H 1 0.721 0.020 . 2 . . . A 18 VAL HG12 . 19870 1 179 . 1 1 18 18 VAL HG13 H 1 0.721 0.020 . 2 . . . A 18 VAL HG13 . 19870 1 180 . 1 1 18 18 VAL HG21 H 1 0.777 0.020 . 2 . . . A 18 VAL HG21 . 19870 1 181 . 1 1 18 18 VAL HG22 H 1 0.777 0.020 . 2 . . . A 18 VAL HG22 . 19870 1 182 . 1 1 18 18 VAL HG23 H 1 0.777 0.020 . 2 . . . A 18 VAL HG23 . 19870 1 183 . 1 1 18 18 VAL C C 13 172.343 0.3 . 1 . . . A 18 VAL C . 19870 1 184 . 1 1 18 18 VAL CA C 13 58.811 0.3 . 1 . . . A 18 VAL CA . 19870 1 185 . 1 1 18 18 VAL CB C 13 35.653 0.3 . 1 . . . A 18 VAL CB . 19870 1 186 . 1 1 18 18 VAL CG1 C 13 21.162 0.3 . 1 . . . A 18 VAL CG1 . 19870 1 187 . 1 1 18 18 VAL CG2 C 13 21.300 0.3 . 1 . . . A 18 VAL CG2 . 19870 1 188 . 1 1 18 18 VAL N N 15 123.875 0.3 . 1 . . . A 18 VAL N . 19870 1 189 . 1 1 19 19 THR H H 1 8.099 0.020 . 1 . . . A 19 THR H . 19870 1 190 . 1 1 19 19 THR HA H 1 5.125 0.020 . 1 . . . A 19 THR HA . 19870 1 191 . 1 1 19 19 THR HB H 1 3.633 0.020 . 1 . . . A 19 THR HB . 19870 1 192 . 1 1 19 19 THR HG21 H 1 0.930 0.020 . 1 . . . A 19 THR HG21 . 19870 1 193 . 1 1 19 19 THR HG22 H 1 0.930 0.020 . 1 . . . A 19 THR HG22 . 19870 1 194 . 1 1 19 19 THR HG23 H 1 0.930 0.020 . 1 . . . A 19 THR HG23 . 19870 1 195 . 1 1 19 19 THR C C 13 173.195 0.3 . 1 . . . A 19 THR C . 19870 1 196 . 1 1 19 19 THR CA C 13 60.804 0.3 . 1 . . . A 19 THR CA . 19870 1 197 . 1 1 19 19 THR CB C 13 70.921 0.3 . 1 . . . A 19 THR CB . 19870 1 198 . 1 1 19 19 THR CG2 C 13 21.402 0.3 . 1 . . . A 19 THR CG2 . 19870 1 199 . 1 1 19 19 THR N N 15 119.624 0.3 . 1 . . . A 19 THR N . 19870 1 200 . 1 1 20 20 ILE H H 1 9.172 0.020 . 1 . . . A 20 ILE H . 19870 1 201 . 1 1 20 20 ILE HA H 1 4.046 0.020 . 1 . . . A 20 ILE HA . 19870 1 202 . 1 1 20 20 ILE HB H 1 1.460 0.020 . 1 . . . A 20 ILE HB . 19870 1 203 . 1 1 20 20 ILE HG12 H 1 1.343 0.020 . 2 . . . A 20 ILE HG12 . 19870 1 204 . 1 1 20 20 ILE HG13 H 1 0.760 0.020 . 2 . . . A 20 ILE HG13 . 19870 1 205 . 1 1 20 20 ILE HG21 H 1 1.187 0.020 . 1 . . . A 20 ILE HG21 . 19870 1 206 . 1 1 20 20 ILE HG22 H 1 1.187 0.020 . 1 . . . A 20 ILE HG22 . 19870 1 207 . 1 1 20 20 ILE HG23 H 1 1.187 0.020 . 1 . . . A 20 ILE HG23 . 19870 1 208 . 1 1 20 20 ILE HD11 H 1 0.378 0.020 . 1 . . . A 20 ILE HD11 . 19870 1 209 . 1 1 20 20 ILE HD12 H 1 0.378 0.020 . 1 . . . A 20 ILE HD12 . 19870 1 210 . 1 1 20 20 ILE HD13 H 1 0.378 0.020 . 1 . . . A 20 ILE HD13 . 19870 1 211 . 1 1 20 20 ILE C C 13 174.100 0.3 . 1 . . . A 20 ILE C . 19870 1 212 . 1 1 20 20 ILE CA C 13 60.891 0.3 . 1 . . . A 20 ILE CA . 19870 1 213 . 1 1 20 20 ILE CB C 13 40.500 0.3 . 1 . . . A 20 ILE CB . 19870 1 214 . 1 1 20 20 ILE CG1 C 13 28.584 0.3 . 1 . . . A 20 ILE CG1 . 19870 1 215 . 1 1 20 20 ILE CG2 C 13 18.362 0.3 . 1 . . . A 20 ILE CG2 . 19870 1 216 . 1 1 20 20 ILE CD1 C 13 13.367 0.3 . 1 . . . A 20 ILE CD1 . 19870 1 217 . 1 1 20 20 ILE N N 15 127.371 0.3 . 1 . . . A 20 ILE N . 19870 1 218 . 1 1 21 21 SER H H 1 7.542 0.020 . 1 . . . A 21 SER H . 19870 1 219 . 1 1 21 21 SER HA H 1 5.430 0.020 . 1 . . . A 21 SER HA . 19870 1 220 . 1 1 21 21 SER HB2 H 1 3.875 0.020 . 2 . . . A 21 SER HB2 . 19870 1 221 . 1 1 21 21 SER HB3 H 1 3.825 0.020 . 2 . . . A 21 SER HB3 . 19870 1 222 . 1 1 21 21 SER C C 13 173.272 0.3 . 1 . . . A 21 SER C . 19870 1 223 . 1 1 21 21 SER CA C 13 57.551 0.3 . 1 . . . A 21 SER CA . 19870 1 224 . 1 1 21 21 SER CB C 13 65.885 0.3 . 1 . . . A 21 SER CB . 19870 1 225 . 1 1 21 21 SER N N 15 119.951 0.3 . 1 . . . A 21 SER N . 19870 1 226 . 1 1 22 22 CYS H H 1 8.597 0.020 . 1 . . . A 22 CYS H . 19870 1 227 . 1 1 22 22 CYS HA H 1 5.115 0.020 . 1 . . . A 22 CYS HA . 19870 1 228 . 1 1 22 22 CYS HB2 H 1 3.569 0.020 . 2 . . . A 22 CYS HB2 . 19870 1 229 . 1 1 22 22 CYS HB3 H 1 2.920 0.020 . 2 . . . A 22 CYS HB3 . 19870 1 230 . 1 1 22 22 CYS C C 13 174.047 0.3 . 1 . . . A 22 CYS C . 19870 1 231 . 1 1 22 22 CYS CA C 13 55.383 0.3 . 1 . . . A 22 CYS CA . 19870 1 232 . 1 1 22 22 CYS CB C 13 46.710 0.3 . 1 . . . A 22 CYS CB . 19870 1 233 . 1 1 22 22 CYS N N 15 120.452 0.3 . 1 . . . A 22 CYS N . 19870 1 234 . 1 1 23 23 THR H H 1 9.276 0.020 . 1 . . . A 23 THR H . 19870 1 235 . 1 1 23 23 THR HA H 1 4.584 0.020 . 1 . . . A 23 THR HA . 19870 1 236 . 1 1 23 23 THR HB H 1 3.963 0.020 . 1 . . . A 23 THR HB . 19870 1 237 . 1 1 23 23 THR HG21 H 1 1.246 0.020 . 1 . . . A 23 THR HG21 . 19870 1 238 . 1 1 23 23 THR HG22 H 1 1.246 0.020 . 1 . . . A 23 THR HG22 . 19870 1 239 . 1 1 23 23 THR HG23 H 1 1.246 0.020 . 1 . . . A 23 THR HG23 . 19870 1 240 . 1 1 23 23 THR C C 13 174.093 0.3 . 1 . . . A 23 THR C . 19870 1 241 . 1 1 23 23 THR CA C 13 62.769 0.3 . 1 . . . A 23 THR CA . 19870 1 242 . 1 1 23 23 THR CB C 13 70.084 0.3 . 1 . . . A 23 THR CB . 19870 1 243 . 1 1 23 23 THR CG2 C 13 21.205 0.3 . 1 . . . A 23 THR CG2 . 19870 1 244 . 1 1 23 23 THR N N 15 122.873 0.3 . 1 . . . A 23 THR N . 19870 1 245 . 1 1 24 24 ARG H H 1 8.457 0.020 . 1 . . . A 24 ARG H . 19870 1 246 . 1 1 24 24 ARG HA H 1 5.164 0.020 . 1 . . . A 24 ARG HA . 19870 1 247 . 1 1 24 24 ARG HB2 H 1 1.689 0.020 . 2 . . . A 24 ARG HB2 . 19870 1 248 . 1 1 24 24 ARG HB3 H 1 2.014 0.020 . 2 . . . A 24 ARG HB3 . 19870 1 249 . 1 1 24 24 ARG C C 13 176.756 0.3 . 1 . . . A 24 ARG C . 19870 1 250 . 1 1 24 24 ARG CA C 13 55.455 0.3 . 1 . . . A 24 ARG CA . 19870 1 251 . 1 1 24 24 ARG CB C 13 31.607 0.3 . 1 . . . A 24 ARG CB . 19870 1 252 . 1 1 24 24 ARG N N 15 129.364 0.3 . 1 . . . A 24 ARG N . 19870 1 253 . 1 1 25 25 SER H H 1 9.148 0.020 . 1 . . . A 25 SER H . 19870 1 254 . 1 1 25 25 SER HA H 1 4.742 0.020 . 1 . . . A 25 SER HA . 19870 1 255 . 1 1 25 25 SER HB2 H 1 3.853 0.020 . 2 . . . A 25 SER HB2 . 19870 1 256 . 1 1 25 25 SER HB3 H 1 3.823 0.020 . 2 . . . A 25 SER HB3 . 19870 1 257 . 1 1 25 25 SER C C 13 173.923 0.3 . 1 . . . A 25 SER C . 19870 1 258 . 1 1 25 25 SER CA C 13 61.236 0.3 . 1 . . . A 25 SER CA . 19870 1 259 . 1 1 25 25 SER CB C 13 62.827 0.3 . 1 . . . A 25 SER CB . 19870 1 260 . 1 1 25 25 SER N N 15 123.892 0.3 . 1 . . . A 25 SER N . 19870 1 261 . 1 1 26 26 SER H H 1 6.921 0.020 . 1 . . . A 26 SER H . 19870 1 262 . 1 1 26 26 SER HA H 1 5.049 0.020 . 1 . . . A 26 SER HA . 19870 1 263 . 1 1 26 26 SER HB2 H 1 4.174 0.020 . 2 . . . A 26 SER HB2 . 19870 1 264 . 1 1 26 26 SER HB3 H 1 4.115 0.020 . 2 . . . A 26 SER HB3 . 19870 1 265 . 1 1 26 26 SER C C 13 173.900 0.3 . 1 . . . A 26 SER C . 19870 1 266 . 1 1 26 26 SER CA C 13 57.334 0.3 . 1 . . . A 26 SER CA . 19870 1 267 . 1 1 26 26 SER CB C 13 62.537 0.3 . 1 . . . A 26 SER CB . 19870 1 268 . 1 1 26 26 SER N N 15 114.586 0.3 . 1 . . . A 26 SER N . 19870 1 269 . 1 1 27 27 GLY HA2 H 1 4.004 0.020 . 2 . . . A 27 GLY HA2 . 19870 1 270 . 1 1 27 27 GLY HA3 H 1 3.757 0.020 . 2 . . . A 27 GLY HA3 . 19870 1 271 . 1 1 27 27 GLY C C 13 172.560 0.3 . 1 . . . A 27 GLY C . 19870 1 272 . 1 1 27 27 GLY CA C 13 44.108 0.3 . 1 . . . A 27 GLY CA . 19870 1 273 . 1 1 28 28 SER H H 1 8.412 0.020 . 1 . . . A 28 SER H . 19870 1 274 . 1 1 28 28 SER HA H 1 4.830 0.020 . 1 . . . A 28 SER HA . 19870 1 275 . 1 1 28 28 SER HB2 H 1 3.780 0.020 . 2 . . . A 28 SER HB2 . 19870 1 276 . 1 1 28 28 SER HB3 H 1 3.750 0.020 . 2 . . . A 28 SER HB3 . 19870 1 277 . 1 1 28 28 SER C C 13 177.391 0.3 . 1 . . . A 28 SER C . 19870 1 278 . 1 1 28 28 SER CA C 13 56.683 0.3 . 1 . . . A 28 SER CA . 19870 1 279 . 1 1 28 28 SER CB C 13 63.116 0.3 . 1 . . . A 28 SER CB . 19870 1 280 . 1 1 28 28 SER N N 15 114.018 0.3 . 1 . . . A 28 SER N . 19870 1 281 . 1 1 29 29 ILE H H 1 9.170 0.020 . 1 . . . A 29 ILE H . 19870 1 282 . 1 1 29 29 ILE HA H 1 3.855 0.020 . 1 . . . A 29 ILE HA . 19870 1 283 . 1 1 29 29 ILE HB H 1 1.285 0.020 . 1 . . . A 29 ILE HB . 19870 1 284 . 1 1 29 29 ILE HG12 H 1 1.344 0.020 . 2 . . . A 29 ILE HG12 . 19870 1 285 . 1 1 29 29 ILE HG13 H 1 1.212 0.020 . 2 . . . A 29 ILE HG13 . 19870 1 286 . 1 1 29 29 ILE HG21 H 1 0.863 0.020 . 1 . . . A 29 ILE HG21 . 19870 1 287 . 1 1 29 29 ILE HG22 H 1 0.863 0.020 . 1 . . . A 29 ILE HG22 . 19870 1 288 . 1 1 29 29 ILE HG23 H 1 0.863 0.020 . 1 . . . A 29 ILE HG23 . 19870 1 289 . 1 1 29 29 ILE HD11 H 1 0.858 0.020 . 1 . . . A 29 ILE HD11 . 19870 1 290 . 1 1 29 29 ILE HD12 H 1 0.858 0.020 . 1 . . . A 29 ILE HD12 . 19870 1 291 . 1 1 29 29 ILE HD13 H 1 0.858 0.020 . 1 . . . A 29 ILE HD13 . 19870 1 292 . 1 1 29 29 ILE C C 13 174.600 0.3 . 1 . . . A 29 ILE C . 19870 1 293 . 1 1 29 29 ILE CA C 13 61.000 0.3 . 1 . . . A 29 ILE CA . 19870 1 294 . 1 1 29 29 ILE CB C 13 40.000 0.3 . 1 . . . A 29 ILE CB . 19870 1 295 . 1 1 29 29 ILE CG1 C 13 28.800 0.3 . 1 . . . A 29 ILE CG1 . 19870 1 296 . 1 1 29 29 ILE CG2 C 13 17.659 0.3 . 1 . . . A 29 ILE CG2 . 19870 1 297 . 1 1 29 29 ILE CD1 C 13 14.690 0.3 . 1 . . . A 29 ILE CD1 . 19870 1 298 . 1 1 29 29 ILE N N 15 129.641 0.3 . 1 . . . A 29 ILE N . 19870 1 299 . 1 1 30 30 ALA H H 1 7.446 0.020 . 1 . . . A 30 ALA H . 19870 1 300 . 1 1 30 30 ALA HA H 1 4.495 0.020 . 1 . . . A 30 ALA HA . 19870 1 301 . 1 1 30 30 ALA HB1 H 1 1.206 0.020 . 1 . . . A 30 ALA HB1 . 19870 1 302 . 1 1 30 30 ALA HB2 H 1 1.206 0.020 . 1 . . . A 30 ALA HB2 . 19870 1 303 . 1 1 30 30 ALA HB3 H 1 1.206 0.020 . 1 . . . A 30 ALA HB3 . 19870 1 304 . 1 1 30 30 ALA C C 13 177.794 0.3 . 1 . . . A 30 ALA C . 19870 1 305 . 1 1 30 30 ALA CA C 13 51.553 0.3 . 1 . . . A 30 ALA CA . 19870 1 306 . 1 1 30 30 ALA CB C 13 18.291 0.3 . 1 . . . A 30 ALA CB . 19870 1 307 . 1 1 30 30 ALA N N 15 120.527 0.3 . 1 . . . A 30 ALA N . 19870 1 308 . 1 1 31 31 SER H H 1 7.801 0.020 . 1 . . . A 31 SER H . 19870 1 309 . 1 1 31 31 SER HA H 1 4.032 0.020 . 1 . . . A 31 SER HA . 19870 1 310 . 1 1 31 31 SER HB2 H 1 3.789 0.020 . 2 . . . A 31 SER HB2 . 19870 1 311 . 1 1 31 31 SER HB3 H 1 3.759 0.020 . 2 . . . A 31 SER HB3 . 19870 1 312 . 1 1 31 31 SER C C 13 173.458 0.3 . 1 . . . A 31 SER C . 19870 1 313 . 1 1 31 31 SER CA C 13 60.370 0.3 . 1 . . . A 31 SER CA . 19870 1 314 . 1 1 31 31 SER CB C 13 63.694 0.3 . 1 . . . A 31 SER CB . 19870 1 315 . 1 1 31 31 SER N N 15 113.454 0.3 . 1 . . . A 31 SER N . 19870 1 316 . 1 1 32 32 ASN H H 1 7.209 0.020 . 1 . . . A 32 ASN H . 19870 1 317 . 1 1 32 32 ASN HA H 1 4.708 0.020 . 1 . . . A 32 ASN HA . 19870 1 318 . 1 1 32 32 ASN HB2 H 1 2.682 0.020 . 2 . . . A 32 ASN HB2 . 19870 1 319 . 1 1 32 32 ASN HB3 H 1 2.447 0.020 . 2 . . . A 32 ASN HB3 . 19870 1 320 . 1 1 32 32 ASN HD21 H 1 7.368 0.020 . 1 . . . A 32 ASN HD21 . 19870 1 321 . 1 1 32 32 ASN C C 13 173.087 0.3 . 1 . . . A 32 ASN C . 19870 1 322 . 1 1 32 32 ASN CA C 13 52.564 0.3 . 1 . . . A 32 ASN CA . 19870 1 323 . 1 1 32 32 ASN CB C 13 43.836 0.3 . 1 . . . A 32 ASN CB . 19870 1 324 . 1 1 32 32 ASN N N 15 116.373 0.3 . 1 . . . A 32 ASN N . 19870 1 325 . 1 1 33 33 TYR H H 1 8.264 0.020 . 1 . . . A 33 TYR H . 19870 1 326 . 1 1 33 33 TYR HA H 1 5.027 0.020 . 1 . . . A 33 TYR HA . 19870 1 327 . 1 1 33 33 TYR HB2 H 1 3.048 0.020 . 2 . . . A 33 TYR HB2 . 19870 1 328 . 1 1 33 33 TYR HB3 H 1 2.969 0.020 . 2 . . . A 33 TYR HB3 . 19870 1 329 . 1 1 33 33 TYR HD1 H 1 7.321 0.020 . 3 . . . A 33 TYR HD1 . 19870 1 330 . 1 1 33 33 TYR HD2 H 1 7.272 0.020 . 3 . . . A 33 TYR HD2 . 19870 1 331 . 1 1 33 33 TYR HE1 H 1 6.930 0.020 . 3 . . . A 33 TYR HE1 . 19870 1 332 . 1 1 33 33 TYR HE2 H 1 6.882 0.020 . 3 . . . A 33 TYR HE2 . 19870 1 333 . 1 1 33 33 TYR C C 13 178.400 0.3 . 1 . . . A 33 TYR C . 19870 1 334 . 1 1 33 33 TYR CA C 13 57.696 0.3 . 1 . . . A 33 TYR CA . 19870 1 335 . 1 1 33 33 TYR CB C 13 41.291 0.3 . 1 . . . A 33 TYR CB . 19870 1 336 . 1 1 33 33 TYR N N 15 117.600 0.3 . 1 . . . A 33 TYR N . 19870 1 337 . 1 1 34 34 VAL H H 1 9.484 0.020 . 1 . . . A 34 VAL H . 19870 1 338 . 1 1 34 34 VAL HA H 1 4.643 0.020 . 1 . . . A 34 VAL HA . 19870 1 339 . 1 1 34 34 VAL HB H 1 2.035 0.020 . 1 . . . A 34 VAL HB . 19870 1 340 . 1 1 34 34 VAL HG11 H 1 0.463 0.020 . 2 . . . A 34 VAL HG11 . 19870 1 341 . 1 1 34 34 VAL HG12 H 1 0.463 0.020 . 2 . . . A 34 VAL HG12 . 19870 1 342 . 1 1 34 34 VAL HG13 H 1 0.463 0.020 . 2 . . . A 34 VAL HG13 . 19870 1 343 . 1 1 34 34 VAL HG21 H 1 0.881 0.020 . 2 . . . A 34 VAL HG21 . 19870 1 344 . 1 1 34 34 VAL HG22 H 1 0.881 0.020 . 2 . . . A 34 VAL HG22 . 19870 1 345 . 1 1 34 34 VAL HG23 H 1 0.881 0.020 . 2 . . . A 34 VAL HG23 . 19870 1 346 . 1 1 34 34 VAL C C 13 174.093 0.3 . 1 . . . A 34 VAL C . 19870 1 347 . 1 1 34 34 VAL CA C 13 61.671 0.3 . 1 . . . A 34 VAL CA . 19870 1 348 . 1 1 34 34 VAL CB C 13 33.400 0.3 . 1 . . . A 34 VAL CB . 19870 1 349 . 1 1 34 34 VAL CG1 C 13 21.234 0.3 . 1 . . . A 34 VAL CG1 . 19870 1 350 . 1 1 34 34 VAL CG2 C 13 21.339 0.3 . 1 . . . A 34 VAL CG2 . 19870 1 351 . 1 1 34 34 VAL N N 15 126.332 0.3 . 1 . . . A 34 VAL N . 19870 1 352 . 1 1 35 35 GLN H H 1 8.676 0.020 . 1 . . . A 35 GLN H . 19870 1 353 . 1 1 35 35 GLN HA H 1 4.908 0.020 . 1 . . . A 35 GLN HA . 19870 1 354 . 1 1 35 35 GLN HB2 H 1 1.965 0.020 . 2 . . . A 35 GLN HB2 . 19870 1 355 . 1 1 35 35 GLN HB3 H 1 1.886 0.020 . 2 . . . A 35 GLN HB3 . 19870 1 356 . 1 1 35 35 GLN HG2 H 1 2.494 0.020 . 2 . . . A 35 GLN HG2 . 19870 1 357 . 1 1 35 35 GLN HG3 H 1 2.464 0.020 . 2 . . . A 35 GLN HG3 . 19870 1 358 . 1 1 35 35 GLN C C 13 174.300 0.3 . 1 . . . A 35 GLN C . 19870 1 359 . 1 1 35 35 GLN CA C 13 53.061 0.3 . 1 . . . A 35 GLN CA . 19870 1 360 . 1 1 35 35 GLN CB C 13 33.484 0.3 . 1 . . . A 35 GLN CB . 19870 1 361 . 1 1 35 35 GLN CG C 13 36.500 0.3 . 1 . . . A 35 GLN CG . 19870 1 362 . 1 1 35 35 GLN N N 15 125.494 0.3 . 1 . . . A 35 GLN N . 19870 1 363 . 1 1 36 36 TRP H H 1 9.104 0.020 . 1 . . . A 36 TRP H . 19870 1 364 . 1 1 36 36 TRP HA H 1 5.568 0.020 . 1 . . . A 36 TRP HA . 19870 1 365 . 1 1 36 36 TRP HB2 H 1 2.979 0.020 . 2 . . . A 36 TRP HB2 . 19870 1 366 . 1 1 36 36 TRP HB3 H 1 2.775 0.020 . 2 . . . A 36 TRP HB3 . 19870 1 367 . 1 1 36 36 TRP HD1 H 1 6.654 0.020 . 1 . . . A 36 TRP HD1 . 19870 1 368 . 1 1 36 36 TRP HE3 H 1 7.299 0.020 . 1 . . . A 36 TRP HE3 . 19870 1 369 . 1 1 36 36 TRP HZ2 H 1 7.067 0.020 . 1 . . . A 36 TRP HZ2 . 19870 1 370 . 1 1 36 36 TRP HZ3 H 1 6.760 0.020 . 1 . . . A 36 TRP HZ3 . 19870 1 371 . 1 1 36 36 TRP HH2 H 1 6.890 0.020 . 1 . . . A 36 TRP HH2 . 19870 1 372 . 1 1 36 36 TRP C C 13 174.202 0.3 . 1 . . . A 36 TRP C . 19870 1 373 . 1 1 36 36 TRP CA C 13 55.700 0.3 . 1 . . . A 36 TRP CA . 19870 1 374 . 1 1 36 36 TRP CB C 13 33.300 0.3 . 1 . . . A 36 TRP CB . 19870 1 375 . 1 1 36 36 TRP N N 15 116.954 0.3 . 1 . . . A 36 TRP N . 19870 1 376 . 1 1 37 37 TYR H H 1 9.621 0.020 . 1 . . . A 37 TYR H . 19870 1 377 . 1 1 37 37 TYR HA H 1 5.568 0.020 . 1 . . . A 37 TYR HA . 19870 1 378 . 1 1 37 37 TYR HB2 H 1 2.796 0.020 . 2 . . . A 37 TYR HB2 . 19870 1 379 . 1 1 37 37 TYR HB3 H 1 2.564 0.020 . 2 . . . A 37 TYR HB3 . 19870 1 380 . 1 1 37 37 TYR HD1 H 1 6.732 0.020 . 3 . . . A 37 TYR HD1 . 19870 1 381 . 1 1 37 37 TYR HD2 H 1 6.771 0.020 . 3 . . . A 37 TYR HD2 . 19870 1 382 . 1 1 37 37 TYR HE1 H 1 6.850 0.020 . 1 . . . A 37 TYR HE1 . 19870 1 383 . 1 1 37 37 TYR HE2 H 1 6.850 0.020 . 1 . . . A 37 TYR HE2 . 19870 1 384 . 1 1 37 37 TYR C C 13 174.496 0.3 . 1 . . . A 37 TYR C . 19870 1 385 . 1 1 37 37 TYR CA C 13 55.889 0.3 . 1 . . . A 37 TYR CA . 19870 1 386 . 1 1 37 37 TYR CB C 13 42.447 0.3 . 1 . . . A 37 TYR CB . 19870 1 387 . 1 1 37 37 TYR N N 15 119.383 0.3 . 1 . . . A 37 TYR N . 19870 1 388 . 1 1 38 38 GLN H H 1 9.358 0.020 . 1 . . . A 38 GLN H . 19870 1 389 . 1 1 38 38 GLN HA H 1 4.400 0.020 . 1 . . . A 38 GLN HA . 19870 1 390 . 1 1 38 38 GLN HB2 H 1 1.500 0.020 . 2 . . . A 38 GLN HB2 . 19870 1 391 . 1 1 38 38 GLN HB3 H 1 1.470 0.020 . 2 . . . A 38 GLN HB3 . 19870 1 392 . 1 1 38 38 GLN HG2 H 1 1.620 0.020 . 2 . . . A 38 GLN HG2 . 19870 1 393 . 1 1 38 38 GLN HG3 H 1 1.590 0.020 . 2 . . . A 38 GLN HG3 . 19870 1 394 . 1 1 38 38 GLN HE21 H 1 7.845 0.020 . 1 . . . A 38 GLN HE21 . 19870 1 395 . 1 1 38 38 GLN HE22 H 1 7.635 0.020 . 1 . . . A 38 GLN HE22 . 19870 1 396 . 1 1 38 38 GLN C C 13 174.062 0.3 . 1 . . . A 38 GLN C . 19870 1 397 . 1 1 38 38 GLN CA C 13 53.793 0.3 . 1 . . . A 38 GLN CA . 19870 1 398 . 1 1 38 38 GLN CB C 13 34.352 0.3 . 1 . . . A 38 GLN CB . 19870 1 399 . 1 1 38 38 GLN CG C 13 35.600 0.3 . 1 . . . A 38 GLN CG . 19870 1 400 . 1 1 38 38 GLN N N 15 122.798 0.3 . 1 . . . A 38 GLN N . 19870 1 401 . 1 1 38 38 GLN NE2 N 15 112.623 0.3 . 1 . . . A 38 GLN NE2 . 19870 1 402 . 1 1 39 39 GLN H H 1 9.482 0.020 . 1 . . . A 39 GLN H . 19870 1 403 . 1 1 39 39 GLN HA H 1 4.836 0.020 . 1 . . . A 39 GLN HA . 19870 1 404 . 1 1 39 39 GLN HB2 H 1 1.959 0.020 . 2 . . . A 39 GLN HB2 . 19870 1 405 . 1 1 39 39 GLN HB3 H 1 1.929 0.020 . 2 . . . A 39 GLN HB3 . 19870 1 406 . 1 1 39 39 GLN HG2 H 1 2.339 0.020 . 2 . . . A 39 GLN HG2 . 19870 1 407 . 1 1 39 39 GLN HG3 H 1 2.280 0.020 . 2 . . . A 39 GLN HG3 . 19870 1 408 . 1 1 39 39 GLN HE21 H 1 7.610 0.020 . 1 . . . A 39 GLN HE21 . 19870 1 409 . 1 1 39 39 GLN HE22 H 1 6.857 0.020 . 1 . . . A 39 GLN HE22 . 19870 1 410 . 1 1 39 39 GLN C C 13 175.100 0.3 . 1 . . . A 39 GLN C . 19870 1 411 . 1 1 39 39 GLN CA C 13 54.401 0.3 . 1 . . . A 39 GLN CA . 19870 1 412 . 1 1 39 39 GLN CB C 13 31.535 0.3 . 1 . . . A 39 GLN CB . 19870 1 413 . 1 1 39 39 GLN CG C 13 33.600 0.3 . 1 . . . A 39 GLN CG . 19870 1 414 . 1 1 39 39 GLN N N 15 128.353 0.3 . 1 . . . A 39 GLN N . 19870 1 415 . 1 1 39 39 GLN NE2 N 15 112.735 0.3 . 1 . . . A 39 GLN NE2 . 19870 1 416 . 1 1 41 41 PRO HA H 1 4.362 0.020 . 1 . . . A 41 PRO HA . 19870 1 417 . 1 1 41 41 PRO HB2 H 1 2.280 0.020 . 2 . . . A 41 PRO HB2 . 19870 1 418 . 1 1 41 41 PRO HB3 H 1 1.838 0.020 . 2 . . . A 41 PRO HB3 . 19870 1 419 . 1 1 41 41 PRO C C 13 178.700 0.3 . 1 . . . A 41 PRO C . 19870 1 420 . 1 1 41 41 PRO CA C 13 64.055 0.3 . 1 . . . A 41 PRO CA . 19870 1 421 . 1 1 41 41 PRO CB C 13 31.156 0.3 . 1 . . . A 41 PRO CB . 19870 1 422 . 1 1 42 42 GLY H H 1 8.833 0.020 . 1 . . . A 42 GLY H . 19870 1 423 . 1 1 42 42 GLY HA2 H 1 4.125 0.020 . 2 . . . A 42 GLY HA2 . 19870 1 424 . 1 1 42 42 GLY HA3 H 1 3.778 0.020 . 2 . . . A 42 GLY HA3 . 19870 1 425 . 1 1 42 42 GLY C C 13 174.200 0.3 . 1 . . . A 42 GLY C . 19870 1 426 . 1 1 42 42 GLY CA C 13 45.555 0.3 . 1 . . . A 42 GLY CA . 19870 1 427 . 1 1 42 42 GLY N N 15 114.178 0.3 . 1 . . . A 42 GLY N . 19870 1 428 . 1 1 43 43 SER H H 1 8.004 0.020 . 1 . . . A 43 SER H . 19870 1 429 . 1 1 43 43 SER HA H 1 5.020 0.020 . 1 . . . A 43 SER HA . 19870 1 430 . 1 1 43 43 SER HB2 H 1 3.816 0.020 . 2 . . . A 43 SER HB2 . 19870 1 431 . 1 1 43 43 SER HB3 H 1 3.733 0.020 . 2 . . . A 43 SER HB3 . 19870 1 432 . 1 1 43 43 SER C C 13 172.932 0.3 . 1 . . . A 43 SER C . 19870 1 433 . 1 1 43 43 SER CA C 13 56.395 0.3 . 1 . . . A 43 SER CA . 19870 1 434 . 1 1 43 43 SER CB C 13 65.645 0.3 . 1 . . . A 43 SER CB . 19870 1 435 . 1 1 43 43 SER N N 15 115.076 0.3 . 1 . . . A 43 SER N . 19870 1 436 . 1 1 45 45 PRO HA H 1 4.410 0.020 . 1 . . . A 45 PRO HA . 19870 1 437 . 1 1 45 45 PRO HB2 H 1 2.280 0.020 . 2 . . . A 45 PRO HB2 . 19870 1 438 . 1 1 45 45 PRO HB3 H 1 1.900 0.020 . 2 . . . A 45 PRO HB3 . 19870 1 439 . 1 1 45 45 PRO C C 13 175.951 0.3 . 1 . . . A 45 PRO C . 19870 1 440 . 1 1 45 45 PRO CA C 13 62.465 0.3 . 1 . . . A 45 PRO CA . 19870 1 441 . 1 1 45 45 PRO CB C 13 33.630 0.3 . 1 . . . A 45 PRO CB . 19870 1 442 . 1 1 46 46 THR H H 1 9.167 0.020 . 1 . . . A 46 THR H . 19870 1 443 . 1 1 46 46 THR HA H 1 4.787 0.020 . 1 . . . A 46 THR HA . 19870 1 444 . 1 1 46 46 THR HB H 1 4.193 0.020 . 1 . . . A 46 THR HB . 19870 1 445 . 1 1 46 46 THR HG21 H 1 1.210 0.020 . 1 . . . A 46 THR HG21 . 19870 1 446 . 1 1 46 46 THR HG22 H 1 1.210 0.020 . 1 . . . A 46 THR HG22 . 19870 1 447 . 1 1 46 46 THR HG23 H 1 1.210 0.020 . 1 . . . A 46 THR HG23 . 19870 1 448 . 1 1 46 46 THR C C 13 174.186 0.3 . 1 . . . A 46 THR C . 19870 1 449 . 1 1 46 46 THR CA C 13 60.152 0.3 . 1 . . . A 46 THR CA . 19870 1 450 . 1 1 46 46 THR CB C 13 70.632 0.3 . 1 . . . A 46 THR CB . 19870 1 451 . 1 1 46 46 THR CG2 C 13 20.812 0.3 . 1 . . . A 46 THR CG2 . 19870 1 452 . 1 1 46 46 THR N N 15 117.145 0.3 . 1 . . . A 46 THR N . 19870 1 453 . 1 1 47 47 THR H H 1 8.974 0.020 . 1 . . . A 47 THR H . 19870 1 454 . 1 1 47 47 THR HA H 1 4.128 0.020 . 1 . . . A 47 THR HA . 19870 1 455 . 1 1 47 47 THR HB H 1 4.003 0.020 . 1 . . . A 47 THR HB . 19870 1 456 . 1 1 47 47 THR HG21 H 1 1.041 0.020 . 1 . . . A 47 THR HG21 . 19870 1 457 . 1 1 47 47 THR HG22 H 1 1.041 0.020 . 1 . . . A 47 THR HG22 . 19870 1 458 . 1 1 47 47 THR HG23 H 1 1.041 0.020 . 1 . . . A 47 THR HG23 . 19870 1 459 . 1 1 47 47 THR C C 13 174.651 0.3 . 1 . . . A 47 THR C . 19870 1 460 . 1 1 47 47 THR CA C 13 64.634 0.3 . 1 . . . A 47 THR CA . 19870 1 461 . 1 1 47 47 THR CB C 13 68.443 0.3 . 1 . . . A 47 THR CB . 19870 1 462 . 1 1 47 47 THR CG2 C 13 22.306 0.3 . 1 . . . A 47 THR CG2 . 19870 1 463 . 1 1 47 47 THR N N 15 123.928 0.3 . 1 . . . A 47 THR N . 19870 1 464 . 1 1 48 48 VAL H H 1 8.995 0.020 . 1 . . . A 48 VAL H . 19870 1 465 . 1 1 48 48 VAL HA H 1 4.483 0.020 . 1 . . . A 48 VAL HA . 19870 1 466 . 1 1 48 48 VAL HB H 1 1.699 0.020 . 1 . . . A 48 VAL HB . 19870 1 467 . 1 1 48 48 VAL HG11 H 1 0.520 0.020 . 2 . . . A 48 VAL HG11 . 19870 1 468 . 1 1 48 48 VAL HG12 H 1 0.520 0.020 . 2 . . . A 48 VAL HG12 . 19870 1 469 . 1 1 48 48 VAL HG13 H 1 0.520 0.020 . 2 . . . A 48 VAL HG13 . 19870 1 470 . 1 1 48 48 VAL HG21 H 1 0.790 0.020 . 2 . . . A 48 VAL HG21 . 19870 1 471 . 1 1 48 48 VAL HG22 H 1 0.790 0.020 . 2 . . . A 48 VAL HG22 . 19870 1 472 . 1 1 48 48 VAL HG23 H 1 0.790 0.020 . 2 . . . A 48 VAL HG23 . 19870 1 473 . 1 1 48 48 VAL C C 13 172.591 0.3 . 1 . . . A 48 VAL C . 19870 1 474 . 1 1 48 48 VAL CA C 13 61.592 0.3 . 1 . . . A 48 VAL CA . 19870 1 475 . 1 1 48 48 VAL CB C 13 33.268 0.3 . 1 . . . A 48 VAL CB . 19870 1 476 . 1 1 48 48 VAL CG1 C 13 22.483 0.3 . 1 . . . A 48 VAL CG1 . 19870 1 477 . 1 1 48 48 VAL CG2 C 13 19.851 0.3 . 1 . . . A 48 VAL CG2 . 19870 1 478 . 1 1 48 48 VAL N N 15 121.483 0.3 . 1 . . . A 48 VAL N . 19870 1 479 . 1 1 49 49 ILE H H 1 7.282 0.020 . 1 . . . A 49 ILE H . 19870 1 480 . 1 1 49 49 ILE HA H 1 5.138 0.020 . 1 . . . A 49 ILE HA . 19870 1 481 . 1 1 49 49 ILE HB H 1 1.937 0.020 . 1 . . . A 49 ILE HB . 19870 1 482 . 1 1 49 49 ILE HG12 H 1 1.320 0.020 . 2 . . . A 49 ILE HG12 . 19870 1 483 . 1 1 49 49 ILE HG13 H 1 1.006 0.020 . 2 . . . A 49 ILE HG13 . 19870 1 484 . 1 1 49 49 ILE HG21 H 1 0.768 0.020 . 1 . . . A 49 ILE HG21 . 19870 1 485 . 1 1 49 49 ILE HG22 H 1 0.768 0.020 . 1 . . . A 49 ILE HG22 . 19870 1 486 . 1 1 49 49 ILE HG23 H 1 0.768 0.020 . 1 . . . A 49 ILE HG23 . 19870 1 487 . 1 1 49 49 ILE HD11 H 1 0.575 0.020 . 1 . . . A 49 ILE HD11 . 19870 1 488 . 1 1 49 49 ILE HD12 H 1 0.575 0.020 . 1 . . . A 49 ILE HD12 . 19870 1 489 . 1 1 49 49 ILE HD13 H 1 0.575 0.020 . 1 . . . A 49 ILE HD13 . 19870 1 490 . 1 1 49 49 ILE C C 13 174.511 0.3 . 1 . . . A 49 ILE C . 19870 1 491 . 1 1 49 49 ILE CA C 13 55.962 0.3 . 1 . . . A 49 ILE CA . 19870 1 492 . 1 1 49 49 ILE CB C 13 41.300 0.3 . 1 . . . A 49 ILE CB . 19870 1 493 . 1 1 49 49 ILE CG1 C 13 27.400 0.3 . 1 . . . A 49 ILE CG1 . 19870 1 494 . 1 1 49 49 ILE CG2 C 13 17.573 0.3 . 1 . . . A 49 ILE CG2 . 19870 1 495 . 1 1 49 49 ILE CD1 C 13 9.094 0.3 . 1 . . . A 49 ILE CD1 . 19870 1 496 . 1 1 49 49 ILE N N 15 116.532 0.3 . 1 . . . A 49 ILE N . 19870 1 497 . 1 1 50 50 TYR H H 1 9.386 0.020 . 1 . . . A 50 TYR H . 19870 1 498 . 1 1 50 50 TYR HA H 1 5.134 0.020 . 1 . . . A 50 TYR HA . 19870 1 499 . 1 1 50 50 TYR HB2 H 1 3.045 0.020 . 2 . . . A 50 TYR HB2 . 19870 1 500 . 1 1 50 50 TYR HB3 H 1 2.780 0.020 . 2 . . . A 50 TYR HB3 . 19870 1 501 . 1 1 50 50 TYR HD1 H 1 6.767 0.020 . 3 . . . A 50 TYR HD1 . 19870 1 502 . 1 1 50 50 TYR HD2 H 1 6.587 0.020 . 3 . . . A 50 TYR HD2 . 19870 1 503 . 1 1 50 50 TYR HE1 H 1 6.304 0.020 . 3 . . . A 50 TYR HE1 . 19870 1 504 . 1 1 50 50 TYR HE2 H 1 6.400 0.020 . 3 . . . A 50 TYR HE2 . 19870 1 505 . 1 1 50 50 TYR C C 13 172.600 0.3 . 1 . . . A 50 TYR C . 19870 1 506 . 1 1 50 50 TYR CA C 13 54.589 0.3 . 1 . . . A 50 TYR CA . 19870 1 507 . 1 1 50 50 TYR CB C 13 41.200 0.3 . 1 . . . A 50 TYR CB . 19870 1 508 . 1 1 50 50 TYR N N 15 122.768 0.3 . 1 . . . A 50 TYR N . 19870 1 509 . 1 1 51 51 GLU H H 1 9.167 0.020 . 1 . . . A 51 GLU H . 19870 1 510 . 1 1 51 51 GLU HA H 1 3.044 0.020 . 1 . . . A 51 GLU HA . 19870 1 511 . 1 1 51 51 GLU HB2 H 1 1.590 0.020 . 2 . . . A 51 GLU HB2 . 19870 1 512 . 1 1 51 51 GLU HB3 H 1 1.450 0.020 . 2 . . . A 51 GLU HB3 . 19870 1 513 . 1 1 51 51 GLU HG2 H 1 1.862 0.020 . 2 . . . A 51 GLU HG2 . 19870 1 514 . 1 1 51 51 GLU HG3 H 1 1.762 0.020 . 2 . . . A 51 GLU HG3 . 19870 1 515 . 1 1 51 51 GLU C C 13 176.600 0.3 . 1 . . . A 51 GLU C . 19870 1 516 . 1 1 51 51 GLU CA C 13 57.190 0.3 . 1 . . . A 51 GLU CA . 19870 1 517 . 1 1 51 51 GLU CB C 13 26.837 0.3 . 1 . . . A 51 GLU CB . 19870 1 518 . 1 1 51 51 GLU CG C 13 35.789 0.3 . 1 . . . A 51 GLU CG . 19870 1 519 . 1 1 51 51 GLU N N 15 115.947 0.3 . 1 . . . A 51 GLU N . 19870 1 520 . 1 1 52 52 ASP H H 1 8.940 0.020 . 1 . . . A 52 ASP H . 19870 1 521 . 1 1 52 52 ASP HA H 1 4.168 0.020 . 1 . . . A 52 ASP HA . 19870 1 522 . 1 1 52 52 ASP HB2 H 1 2.431 0.020 . 2 . . . A 52 ASP HB2 . 19870 1 523 . 1 1 52 52 ASP HB3 H 1 2.386 0.020 . 2 . . . A 52 ASP HB3 . 19870 1 524 . 1 1 52 52 ASP C C 13 178.057 0.3 . 1 . . . A 52 ASP C . 19870 1 525 . 1 1 52 52 ASP CA C 13 59.575 0.3 . 1 . . . A 52 ASP CA . 19870 1 526 . 1 1 52 52 ASP CB C 13 40.279 0.3 . 1 . . . A 52 ASP CB . 19870 1 527 . 1 1 52 52 ASP N N 15 113.712 0.3 . 1 . . . A 52 ASP N . 19870 1 528 . 1 1 53 53 ASN H H 1 8.737 0.020 . 1 . . . A 53 ASN H . 19870 1 529 . 1 1 53 53 ASN HA H 1 4.463 0.020 . 1 . . . A 53 ASN HA . 19870 1 530 . 1 1 53 53 ASN HB2 H 1 3.188 0.020 . 2 . . . A 53 ASN HB2 . 19870 1 531 . 1 1 53 53 ASN HB3 H 1 2.589 0.020 . 2 . . . A 53 ASN HB3 . 19870 1 532 . 1 1 53 53 ASN HD21 H 1 7.530 0.020 . 1 . . . A 53 ASN HD21 . 19870 1 533 . 1 1 53 53 ASN HD22 H 1 6.828 0.020 . 1 . . . A 53 ASN HD22 . 19870 1 534 . 1 1 53 53 ASN C C 13 176.000 0.3 . 1 . . . A 53 ASN C . 19870 1 535 . 1 1 53 53 ASN CA C 13 52.710 0.3 . 1 . . . A 53 ASN CA . 19870 1 536 . 1 1 53 53 ASN CB C 13 39.556 0.3 . 1 . . . A 53 ASN CB . 19870 1 537 . 1 1 53 53 ASN N N 15 115.088 0.3 . 1 . . . A 53 ASN N . 19870 1 538 . 1 1 53 53 ASN ND2 N 15 110.832 0.3 . 1 . . . A 53 ASN ND2 . 19870 1 539 . 1 1 54 54 GLN H H 1 8.636 0.020 . 1 . . . A 54 GLN H . 19870 1 540 . 1 1 54 54 GLN HA H 1 4.400 0.020 . 1 . . . A 54 GLN HA . 19870 1 541 . 1 1 54 54 GLN HB2 H 1 1.950 0.020 . 2 . . . A 54 GLN HB2 . 19870 1 542 . 1 1 54 54 GLN HB3 H 1 1.321 0.020 . 2 . . . A 54 GLN HB3 . 19870 1 543 . 1 1 54 54 GLN HG2 H 1 2.278 0.020 . 2 . . . A 54 GLN HG2 . 19870 1 544 . 1 1 54 54 GLN HG3 H 1 2.042 0.020 . 2 . . . A 54 GLN HG3 . 19870 1 545 . 1 1 54 54 GLN HE21 H 1 7.456 0.020 . 1 . . . A 54 GLN HE21 . 19870 1 546 . 1 1 54 54 GLN HE22 H 1 6.788 0.020 . 1 . . . A 54 GLN HE22 . 19870 1 547 . 1 1 54 54 GLN C C 13 174.100 0.3 . 1 . . . A 54 GLN C . 19870 1 548 . 1 1 54 54 GLN CA C 13 54.299 0.3 . 1 . . . A 54 GLN CA . 19870 1 549 . 1 1 54 54 GLN CB C 13 28.499 0.3 . 1 . . . A 54 GLN CB . 19870 1 550 . 1 1 54 54 GLN CG C 13 33.500 0.3 . 1 . . . A 54 GLN CG . 19870 1 551 . 1 1 54 54 GLN N N 15 121.080 0.3 . 1 . . . A 54 GLN N . 19870 1 552 . 1 1 54 54 GLN NE2 N 15 115.062 0.3 . 1 . . . A 54 GLN NE2 . 19870 1 553 . 1 1 55 55 ARG H H 1 8.539 0.020 . 1 . . . A 55 ARG H . 19870 1 554 . 1 1 55 55 ARG HA H 1 5.150 0.020 . 1 . . . A 55 ARG HA . 19870 1 555 . 1 1 55 55 ARG HB2 H 1 1.810 0.020 . 2 . . . A 55 ARG HB2 . 19870 1 556 . 1 1 55 55 ARG HB3 H 1 1.610 0.020 . 2 . . . A 55 ARG HB3 . 19870 1 557 . 1 1 55 55 ARG HG2 H 1 1.800 0.020 . 2 . . . A 55 ARG HG2 . 19870 1 558 . 1 1 55 55 ARG HG3 H 1 1.610 0.020 . 2 . . . A 55 ARG HG3 . 19870 1 559 . 1 1 55 55 ARG HD2 H 1 3.650 0.020 . 2 . . . A 55 ARG HD2 . 19870 1 560 . 1 1 55 55 ARG HD3 H 1 3.120 0.020 . 2 . . . A 55 ARG HD3 . 19870 1 561 . 1 1 55 55 ARG HH22 H 1 7.130 0.020 . 1 . . . A 55 ARG HH22 . 19870 1 562 . 1 1 55 55 ARG HH12 H 1 6.680 0.020 . 1 . . . A 55 ARG HH12 . 19870 1 563 . 1 1 55 55 ARG C C 13 175.600 0.3 . 1 . . . A 55 ARG C . 19870 1 564 . 1 1 55 55 ARG CA C 13 52.565 0.3 . 1 . . . A 55 ARG CA . 19870 1 565 . 1 1 55 55 ARG CB C 13 32.980 0.3 . 1 . . . A 55 ARG CB . 19870 1 566 . 1 1 55 55 ARG CG C 13 28.075 0.3 . 1 . . . A 55 ARG CG . 19870 1 567 . 1 1 55 55 ARG CD C 13 43.700 0.3 . 1 . . . A 55 ARG CD . 19870 1 568 . 1 1 55 55 ARG N N 15 122.285 0.3 . 1 . . . A 55 ARG N . 19870 1 569 . 1 1 56 56 PRO HA H 1 4.370 0.020 . 1 . . . A 56 PRO HA . 19870 1 570 . 1 1 56 56 PRO HB2 H 1 2.360 0.020 . 2 . . . A 56 PRO HB2 . 19870 1 571 . 1 1 56 56 PRO HB3 H 1 1.840 0.020 . 2 . . . A 56 PRO HB3 . 19870 1 572 . 1 1 56 56 PRO HD2 H 1 3.750 0.020 . 1 . . . A 56 PRO HD2 . 19870 1 573 . 1 1 56 56 PRO C C 13 176.200 0.3 . 1 . . . A 56 PRO C . 19870 1 574 . 1 1 56 56 PRO CA C 13 62.405 0.3 . 1 . . . A 56 PRO CA . 19870 1 575 . 1 1 56 56 PRO CB C 13 32.500 0.3 . 1 . . . A 56 PRO CB . 19870 1 576 . 1 1 57 57 SER H H 1 8.554 0.020 . 1 . . . A 57 SER H . 19870 1 577 . 1 1 57 57 SER HA H 1 4.250 0.020 . 1 . . . A 57 SER HA . 19870 1 578 . 1 1 57 57 SER HB2 H 1 3.881 0.020 . 2 . . . A 57 SER HB2 . 19870 1 579 . 1 1 57 57 SER HB3 H 1 3.880 0.020 . 2 . . . A 57 SER HB3 . 19870 1 580 . 1 1 57 57 SER C C 13 176.200 0.3 . 1 . . . A 57 SER C . 19870 1 581 . 1 1 57 57 SER CA C 13 59.935 0.3 . 1 . . . A 57 SER CA . 19870 1 582 . 1 1 57 57 SER CB C 13 63.000 0.3 . 1 . . . A 57 SER CB . 19870 1 583 . 1 1 57 57 SER N N 15 116.392 0.3 . 1 . . . A 57 SER N . 19870 1 584 . 1 1 58 58 GLY HA2 H 1 4.188 0.020 . 2 . . . A 58 GLY HA2 . 19870 1 585 . 1 1 58 58 GLY HA3 H 1 3.698 0.020 . 2 . . . A 58 GLY HA3 . 19870 1 586 . 1 1 58 58 GLY C C 13 174.186 0.3 . 1 . . . A 58 GLY C . 19870 1 587 . 1 1 58 58 GLY CA C 13 44.977 0.3 . 1 . . . A 58 GLY CA . 19870 1 588 . 1 1 59 59 VAL H H 1 7.472 0.020 . 1 . . . A 59 VAL H . 19870 1 589 . 1 1 59 59 VAL HA H 1 4.373 0.020 . 1 . . . A 59 VAL HA . 19870 1 590 . 1 1 59 59 VAL HB H 1 2.099 0.020 . 1 . . . A 59 VAL HB . 19870 1 591 . 1 1 59 59 VAL HG11 H 1 0.964 0.020 . 2 . . . A 59 VAL HG11 . 19870 1 592 . 1 1 59 59 VAL HG12 H 1 0.964 0.020 . 2 . . . A 59 VAL HG12 . 19870 1 593 . 1 1 59 59 VAL HG13 H 1 0.964 0.020 . 2 . . . A 59 VAL HG13 . 19870 1 594 . 1 1 59 59 VAL HG21 H 1 1.067 0.020 . 2 . . . A 59 VAL HG21 . 19870 1 595 . 1 1 59 59 VAL HG22 H 1 1.067 0.020 . 2 . . . A 59 VAL HG22 . 19870 1 596 . 1 1 59 59 VAL HG23 H 1 1.067 0.020 . 2 . . . A 59 VAL HG23 . 19870 1 597 . 1 1 59 59 VAL C C 13 174.600 0.3 . 1 . . . A 59 VAL C . 19870 1 598 . 1 1 59 59 VAL CA C 13 59.801 0.3 . 1 . . . A 59 VAL CA . 19870 1 599 . 1 1 59 59 VAL CB C 13 32.980 0.3 . 1 . . . A 59 VAL CB . 19870 1 600 . 1 1 59 59 VAL CG1 C 13 22.697 0.3 . 1 . . . A 59 VAL CG1 . 19870 1 601 . 1 1 59 59 VAL CG2 C 13 19.087 0.3 . 1 . . . A 59 VAL CG2 . 19870 1 602 . 1 1 59 59 VAL N N 15 124.280 0.3 . 1 . . . A 59 VAL N . 19870 1 603 . 1 1 60 60 PRO HA H 1 4.530 0.020 . 1 . . . A 60 PRO HA . 19870 1 604 . 1 1 60 60 PRO HB2 H 1 2.640 0.020 . 2 . . . A 60 PRO HB2 . 19870 1 605 . 1 1 60 60 PRO HB3 H 1 2.050 0.020 . 2 . . . A 60 PRO HB3 . 19870 1 606 . 1 1 60 60 PRO C C 13 176.500 0.3 . 1 . . . A 60 PRO C . 19870 1 607 . 1 1 60 60 PRO CA C 13 63.044 0.3 . 1 . . . A 60 PRO CA . 19870 1 608 . 1 1 60 60 PRO CB C 13 33.131 0.3 . 1 . . . A 60 PRO CB . 19870 1 609 . 1 1 61 61 ASP H H 1 8.498 0.020 . 1 . . . A 61 ASP H . 19870 1 610 . 1 1 61 61 ASP HA H 1 4.111 0.020 . 1 . . . A 61 ASP HA . 19870 1 611 . 1 1 61 61 ASP HB2 H 1 2.911 0.020 . 2 . . . A 61 ASP HB2 . 19870 1 612 . 1 1 61 61 ASP HB3 H 1 2.590 0.020 . 2 . . . A 61 ASP HB3 . 19870 1 613 . 1 1 61 61 ASP C C 13 175.600 0.3 . 1 . . . A 61 ASP C . 19870 1 614 . 1 1 61 61 ASP CA C 13 55.239 0.3 . 1 . . . A 61 ASP CA . 19870 1 615 . 1 1 61 61 ASP CB C 13 39.267 0.3 . 1 . . . A 61 ASP CB . 19870 1 616 . 1 1 61 61 ASP N N 15 119.322 0.3 . 1 . . . A 61 ASP N . 19870 1 617 . 1 1 62 62 ARG H H 1 6.675 0.020 . 1 . . . A 62 ARG H . 19870 1 618 . 1 1 62 62 ARG HA H 1 4.090 0.020 . 1 . . . A 62 ARG HA . 19870 1 619 . 1 1 62 62 ARG C C 13 175.626 0.3 . 1 . . . A 62 ARG C . 19870 1 620 . 1 1 62 62 ARG CA C 13 56.829 0.3 . 1 . . . A 62 ARG CA . 19870 1 621 . 1 1 62 62 ARG CB C 13 29.222 0.3 . 1 . . . A 62 ARG CB . 19870 1 622 . 1 1 62 62 ARG N N 15 114.708 0.3 . 1 . . . A 62 ARG N . 19870 1 623 . 1 1 63 63 PHE H H 1 7.670 0.020 . 1 . . . A 63 PHE H . 19870 1 624 . 1 1 63 63 PHE HA H 1 4.797 0.020 . 1 . . . A 63 PHE HA . 19870 1 625 . 1 1 63 63 PHE HB2 H 1 3.010 0.020 . 2 . . . A 63 PHE HB2 . 19870 1 626 . 1 1 63 63 PHE HB3 H 1 2.353 0.020 . 2 . . . A 63 PHE HB3 . 19870 1 627 . 1 1 63 63 PHE HD1 H 1 7.120 0.020 . 3 . . . A 63 PHE HD1 . 19870 1 628 . 1 1 63 63 PHE HD2 H 1 7.064 0.020 . 3 . . . A 63 PHE HD2 . 19870 1 629 . 1 1 63 63 PHE HE1 H 1 7.260 0.020 . 3 . . . A 63 PHE HE1 . 19870 1 630 . 1 1 63 63 PHE HE2 H 1 7.248 0.020 . 3 . . . A 63 PHE HE2 . 19870 1 631 . 1 1 63 63 PHE HZ H 1 7.380 0.020 . 1 . . . A 63 PHE HZ . 19870 1 632 . 1 1 63 63 PHE C C 13 174.589 0.3 . 1 . . . A 63 PHE C . 19870 1 633 . 1 1 63 63 PHE CA C 13 57.856 0.3 . 1 . . . A 63 PHE CA . 19870 1 634 . 1 1 63 63 PHE CB C 13 40.320 0.3 . 1 . . . A 63 PHE CB . 19870 1 635 . 1 1 63 63 PHE N N 15 119.970 0.3 . 1 . . . A 63 PHE N . 19870 1 636 . 1 1 64 64 SER H H 1 8.862 0.020 . 1 . . . A 64 SER H . 19870 1 637 . 1 1 64 64 SER HA H 1 4.784 0.020 . 1 . . . A 64 SER HA . 19870 1 638 . 1 1 64 64 SER HB2 H 1 3.762 0.020 . 2 . . . A 64 SER HB2 . 19870 1 639 . 1 1 64 64 SER HB3 H 1 3.652 0.020 . 2 . . . A 64 SER HB3 . 19870 1 640 . 1 1 64 64 SER C C 13 172.374 0.3 . 1 . . . A 64 SER C . 19870 1 641 . 1 1 64 64 SER CA C 13 56.900 0.3 . 1 . . . A 64 SER CA . 19870 1 642 . 1 1 64 64 SER CB C 13 65.284 0.3 . 1 . . . A 64 SER CB . 19870 1 643 . 1 1 64 64 SER N N 15 114.719 0.3 . 1 . . . A 64 SER N . 19870 1 644 . 1 1 65 65 GLY H H 1 8.796 0.020 . 1 . . . A 65 GLY H . 19870 1 645 . 1 1 65 65 GLY HA2 H 1 5.403 0.020 . 2 . . . A 65 GLY HA2 . 19870 1 646 . 1 1 65 65 GLY HA3 H 1 3.688 0.020 . 2 . . . A 65 GLY HA3 . 19870 1 647 . 1 1 65 65 GLY C C 13 172.498 0.3 . 1 . . . A 65 GLY C . 19870 1 648 . 1 1 65 65 GLY CA C 13 43.459 0.3 . 1 . . . A 65 GLY CA . 19870 1 649 . 1 1 65 65 GLY N N 15 110.076 0.3 . 1 . . . A 65 GLY N . 19870 1 650 . 1 1 66 66 SER H H 1 8.661 0.020 . 1 . . . A 66 SER H . 19870 1 651 . 1 1 66 66 SER HA H 1 4.778 0.020 . 1 . . . A 66 SER HA . 19870 1 652 . 1 1 66 66 SER HB2 H 1 3.744 0.020 . 2 . . . A 66 SER HB2 . 19870 1 653 . 1 1 66 66 SER HB3 H 1 3.714 0.020 . 2 . . . A 66 SER HB3 . 19870 1 654 . 1 1 66 66 SER C C 13 173.149 0.3 . 1 . . . A 66 SER C . 19870 1 655 . 1 1 66 66 SER CA C 13 56.901 0.3 . 1 . . . A 66 SER CA . 19870 1 656 . 1 1 66 66 SER CB C 13 65.718 0.3 . 1 . . . A 66 SER CB . 19870 1 657 . 1 1 66 66 SER N N 15 113.017 0.3 . 1 . . . A 66 SER N . 19870 1 658 . 1 1 67 67 ILE H H 1 8.501 0.020 . 1 . . . A 67 ILE H . 19870 1 659 . 1 1 67 67 ILE HA H 1 4.785 0.020 . 1 . . . A 67 ILE HA . 19870 1 660 . 1 1 67 67 ILE HB H 1 1.970 0.020 . 1 . . . A 67 ILE HB . 19870 1 661 . 1 1 67 67 ILE HG12 H 1 1.540 0.020 . 2 . . . A 67 ILE HG12 . 19870 1 662 . 1 1 67 67 ILE HG13 H 1 1.339 0.020 . 2 . . . A 67 ILE HG13 . 19870 1 663 . 1 1 67 67 ILE HG21 H 1 0.856 0.020 . 1 . . . A 67 ILE HG21 . 19870 1 664 . 1 1 67 67 ILE HG22 H 1 0.856 0.020 . 1 . . . A 67 ILE HG22 . 19870 1 665 . 1 1 67 67 ILE HG23 H 1 0.856 0.020 . 1 . . . A 67 ILE HG23 . 19870 1 666 . 1 1 67 67 ILE HD11 H 1 0.921 0.020 . 1 . . . A 67 ILE HD11 . 19870 1 667 . 1 1 67 67 ILE HD12 H 1 0.921 0.020 . 1 . . . A 67 ILE HD12 . 19870 1 668 . 1 1 67 67 ILE HD13 H 1 0.921 0.020 . 1 . . . A 67 ILE HD13 . 19870 1 669 . 1 1 67 67 ILE C C 13 174.372 0.3 . 1 . . . A 67 ILE C . 19870 1 670 . 1 1 67 67 ILE CA C 13 59.600 0.3 . 1 . . . A 67 ILE CA . 19870 1 671 . 1 1 67 67 ILE CB C 13 40.400 0.3 . 1 . . . A 67 ILE CB . 19870 1 672 . 1 1 67 67 ILE CG1 C 13 26.900 0.3 . 1 . . . A 67 ILE CG1 . 19870 1 673 . 1 1 67 67 ILE CG2 C 13 16.595 0.3 . 1 . . . A 67 ILE CG2 . 19870 1 674 . 1 1 67 67 ILE CD1 C 13 10.928 0.3 . 1 . . . A 67 ILE CD1 . 19870 1 675 . 1 1 67 67 ILE N N 15 121.376 0.3 . 1 . . . A 67 ILE N . 19870 1 676 . 1 1 68 68 ASP H H 1 9.123 0.020 . 1 . . . A 68 ASP H . 19870 1 677 . 1 1 68 68 ASP HA H 1 5.059 0.020 . 1 . . . A 68 ASP HA . 19870 1 678 . 1 1 68 68 ASP HB2 H 1 2.893 0.020 . 2 . . . A 68 ASP HB2 . 19870 1 679 . 1 1 68 68 ASP HB3 H 1 2.454 0.020 . 2 . . . A 68 ASP HB3 . 19870 1 680 . 1 1 68 68 ASP C C 13 176.060 0.3 . 1 . . . A 68 ASP C . 19870 1 681 . 1 1 68 68 ASP CA C 13 52.131 0.3 . 1 . . . A 68 ASP CA . 19870 1 682 . 1 1 68 68 ASP CB C 13 42.014 0.3 . 1 . . . A 68 ASP CB . 19870 1 683 . 1 1 68 68 ASP N N 15 125.956 0.3 . 1 . . . A 68 ASP N . 19870 1 684 . 1 1 70 70 SER HA H 1 4.333 0.020 . 1 . . . A 70 SER HA . 19870 1 685 . 1 1 70 70 SER HB2 H 1 4.060 0.020 . 2 . . . A 70 SER HB2 . 19870 1 686 . 1 1 70 70 SER HB3 H 1 4.030 0.020 . 2 . . . A 70 SER HB3 . 19870 1 687 . 1 1 70 70 SER C C 13 175.100 0.3 . 1 . . . A 70 SER C . 19870 1 688 . 1 1 70 70 SER CA C 13 61.158 0.3 . 1 . . . A 70 SER CA . 19870 1 689 . 1 1 70 70 SER CB C 13 62.900 0.3 . 1 . . . A 70 SER CB . 19870 1 690 . 1 1 71 71 SER H H 1 7.369 0.020 . 1 . . . A 71 SER H . 19870 1 691 . 1 1 71 71 SER HA H 1 4.613 0.020 . 1 . . . A 71 SER HA . 19870 1 692 . 1 1 71 71 SER HB2 H 1 4.039 0.020 . 2 . . . A 71 SER HB2 . 19870 1 693 . 1 1 71 71 SER HB3 H 1 3.730 0.020 . 2 . . . A 71 SER HB3 . 19870 1 694 . 1 1 71 71 SER C C 13 174.573 0.3 . 1 . . . A 71 SER C . 19870 1 695 . 1 1 71 71 SER CA C 13 57.479 0.3 . 1 . . . A 71 SER CA . 19870 1 696 . 1 1 71 71 SER CB C 13 63.694 0.3 . 1 . . . A 71 SER CB . 19870 1 697 . 1 1 71 71 SER N N 15 113.903 0.3 . 1 . . . A 71 SER N . 19870 1 698 . 1 1 72 72 ASN H H 1 8.071 0.020 . 1 . . . A 72 ASN H . 19870 1 699 . 1 1 72 72 ASN HA H 1 4.534 0.020 . 1 . . . A 72 ASN HA . 19870 1 700 . 1 1 72 72 ASN HB2 H 1 3.683 0.020 . 2 . . . A 72 ASN HB2 . 19870 1 701 . 1 1 72 72 ASN HB3 H 1 2.510 0.020 . 2 . . . A 72 ASN HB3 . 19870 1 702 . 1 1 72 72 ASN C C 13 173.226 0.3 . 1 . . . A 72 ASN C . 19870 1 703 . 1 1 72 72 ASN CA C 13 53.649 0.3 . 1 . . . A 72 ASN CA . 19870 1 704 . 1 1 72 72 ASN CB C 13 39.340 0.3 . 1 . . . A 72 ASN CB . 19870 1 705 . 1 1 72 72 ASN N N 15 124.613 0.3 . 1 . . . A 72 ASN N . 19870 1 706 . 1 1 73 73 SER H H 1 8.116 0.020 . 1 . . . A 73 SER H . 19870 1 707 . 1 1 73 73 SER HA H 1 5.592 0.020 . 1 . . . A 73 SER HA . 19870 1 708 . 1 1 73 73 SER HB2 H 1 3.709 0.020 . 2 . . . A 73 SER HB2 . 19870 1 709 . 1 1 73 73 SER HB3 H 1 3.616 0.020 . 2 . . . A 73 SER HB3 . 19870 1 710 . 1 1 73 73 SER C C 13 171.724 0.3 . 1 . . . A 73 SER C . 19870 1 711 . 1 1 73 73 SER CA C 13 56.177 0.3 . 1 . . . A 73 SER CA . 19870 1 712 . 1 1 73 73 SER CB C 13 68.031 0.3 . 1 . . . A 73 SER CB . 19870 1 713 . 1 1 73 73 SER N N 15 108.967 0.3 . 1 . . . A 73 SER N . 19870 1 714 . 1 1 74 74 ALA H H 1 9.231 0.020 . 1 . . . A 74 ALA H . 19870 1 715 . 1 1 74 74 ALA HA H 1 5.376 0.020 . 1 . . . A 74 ALA HA . 19870 1 716 . 1 1 74 74 ALA HB1 H 1 1.690 0.020 . 1 . . . A 74 ALA HB1 . 19870 1 717 . 1 1 74 74 ALA HB2 H 1 1.690 0.020 . 1 . . . A 74 ALA HB2 . 19870 1 718 . 1 1 74 74 ALA HB3 H 1 1.690 0.020 . 1 . . . A 74 ALA HB3 . 19870 1 719 . 1 1 74 74 ALA C C 13 176.571 0.3 . 1 . . . A 74 ALA C . 19870 1 720 . 1 1 74 74 ALA CA C 13 49.714 0.3 . 1 . . . A 74 ALA CA . 19870 1 721 . 1 1 74 74 ALA CB C 13 23.585 0.3 . 1 . . . A 74 ALA CB . 19870 1 722 . 1 1 74 74 ALA N N 15 125.224 0.3 . 1 . . . A 74 ALA N . 19870 1 723 . 1 1 75 75 SER H H 1 8.909 0.020 . 1 . . . A 75 SER H . 19870 1 724 . 1 1 75 75 SER HA H 1 5.696 0.020 . 1 . . . A 75 SER HA . 19870 1 725 . 1 1 75 75 SER HB2 H 1 3.454 0.020 . 2 . . . A 75 SER HB2 . 19870 1 726 . 1 1 75 75 SER HB3 H 1 3.394 0.020 . 2 . . . A 75 SER HB3 . 19870 1 727 . 1 1 75 75 SER C C 13 171.569 0.3 . 1 . . . A 75 SER C . 19870 1 728 . 1 1 75 75 SER CA C 13 57.624 0.3 . 1 . . . A 75 SER CA . 19870 1 729 . 1 1 75 75 SER CB C 13 66.368 0.3 . 1 . . . A 75 SER CB . 19870 1 730 . 1 1 75 75 SER N N 15 114.085 0.3 . 1 . . . A 75 SER N . 19870 1 731 . 1 1 76 76 LEU H H 1 8.322 0.020 . 1 . . . A 76 LEU H . 19870 1 732 . 1 1 76 76 LEU HA H 1 4.388 0.020 . 1 . . . A 76 LEU HA . 19870 1 733 . 1 1 76 76 LEU HB2 H 1 0.310 0.020 . 2 . . . A 76 LEU HB2 . 19870 1 734 . 1 1 76 76 LEU HB3 H 1 0.256 0.020 . 2 . . . A 76 LEU HB3 . 19870 1 735 . 1 1 76 76 LEU HG H 1 0.845 0.020 . 1 . . . A 76 LEU HG . 19870 1 736 . 1 1 76 76 LEU HD11 H 1 0.207 0.020 . 2 . . . A 76 LEU HD11 . 19870 1 737 . 1 1 76 76 LEU HD12 H 1 0.207 0.020 . 2 . . . A 76 LEU HD12 . 19870 1 738 . 1 1 76 76 LEU HD13 H 1 0.207 0.020 . 2 . . . A 76 LEU HD13 . 19870 1 739 . 1 1 76 76 LEU HD21 H 1 -1.520 0.020 . 2 . . . A 76 LEU HD21 . 19870 1 740 . 1 1 76 76 LEU HD22 H 1 -1.520 0.020 . 2 . . . A 76 LEU HD22 . 19870 1 741 . 1 1 76 76 LEU HD23 H 1 -1.520 0.020 . 2 . . . A 76 LEU HD23 . 19870 1 742 . 1 1 76 76 LEU C C 13 174.700 0.3 . 1 . . . A 76 LEU C . 19870 1 743 . 1 1 76 76 LEU CA C 13 52.500 0.3 . 1 . . . A 76 LEU CA . 19870 1 744 . 1 1 76 76 LEU CB C 13 41.394 0.3 . 1 . . . A 76 LEU CB . 19870 1 745 . 1 1 76 76 LEU CG C 13 26.800 0.3 . 1 . . . A 76 LEU CG . 19870 1 746 . 1 1 76 76 LEU CD1 C 13 27.300 0.3 . 1 . . . A 76 LEU CD1 . 19870 1 747 . 1 1 76 76 LEU CD2 C 13 23.600 0.3 . 1 . . . A 76 LEU CD2 . 19870 1 748 . 1 1 76 76 LEU N N 15 127.649 0.3 . 1 . . . A 76 LEU N . 19870 1 749 . 1 1 77 77 THR H H 1 9.015 0.020 . 1 . . . A 77 THR H . 19870 1 750 . 1 1 77 77 THR HA H 1 4.954 0.020 . 1 . . . A 77 THR HA . 19870 1 751 . 1 1 77 77 THR HB H 1 3.574 0.020 . 1 . . . A 77 THR HB . 19870 1 752 . 1 1 77 77 THR HG21 H 1 0.811 0.020 . 1 . . . A 77 THR HG21 . 19870 1 753 . 1 1 77 77 THR HG22 H 1 0.811 0.020 . 1 . . . A 77 THR HG22 . 19870 1 754 . 1 1 77 77 THR HG23 H 1 0.811 0.020 . 1 . . . A 77 THR HG23 . 19870 1 755 . 1 1 77 77 THR C C 13 173.000 0.3 . 1 . . . A 77 THR C . 19870 1 756 . 1 1 77 77 THR CA C 13 61.165 0.3 . 1 . . . A 77 THR CA . 19870 1 757 . 1 1 77 77 THR CB C 13 69.910 0.3 . 1 . . . A 77 THR CB . 19870 1 758 . 1 1 77 77 THR CG2 C 13 21.300 0.3 . 1 . . . A 77 THR CG2 . 19870 1 759 . 1 1 77 77 THR N N 15 124.468 0.3 . 1 . . . A 77 THR N . 19870 1 760 . 1 1 78 78 ILE H H 1 8.674 0.020 . 1 . . . A 78 ILE H . 19870 1 761 . 1 1 78 78 ILE HA H 1 4.240 0.020 . 1 . . . A 78 ILE HA . 19870 1 762 . 1 1 78 78 ILE HB H 1 1.241 0.020 . 1 . . . A 78 ILE HB . 19870 1 763 . 1 1 78 78 ILE HG12 H 1 0.819 0.020 . 2 . . . A 78 ILE HG12 . 19870 1 764 . 1 1 78 78 ILE HG13 H 1 0.789 0.020 . 2 . . . A 78 ILE HG13 . 19870 1 765 . 1 1 78 78 ILE HG21 H 1 -0.029 0.020 . 1 . . . A 78 ILE HG21 . 19870 1 766 . 1 1 78 78 ILE HG22 H 1 -0.029 0.020 . 1 . . . A 78 ILE HG22 . 19870 1 767 . 1 1 78 78 ILE HG23 H 1 -0.029 0.020 . 1 . . . A 78 ILE HG23 . 19870 1 768 . 1 1 78 78 ILE HD11 H 1 0.124 0.020 . 1 . . . A 78 ILE HD11 . 19870 1 769 . 1 1 78 78 ILE HD12 H 1 0.124 0.020 . 1 . . . A 78 ILE HD12 . 19870 1 770 . 1 1 78 78 ILE HD13 H 1 0.124 0.020 . 1 . . . A 78 ILE HD13 . 19870 1 771 . 1 1 78 78 ILE C C 13 174.697 0.3 . 1 . . . A 78 ILE C . 19870 1 772 . 1 1 78 78 ILE CA C 13 60.300 0.3 . 1 . . . A 78 ILE CA . 19870 1 773 . 1 1 78 78 ILE CB C 13 39.300 0.3 . 1 . . . A 78 ILE CB . 19870 1 774 . 1 1 78 78 ILE CG1 C 13 26.000 0.3 . 1 . . . A 78 ILE CG1 . 19870 1 775 . 1 1 78 78 ILE CG2 C 13 17.066 0.3 . 1 . . . A 78 ILE CG2 . 19870 1 776 . 1 1 78 78 ILE CD1 C 13 13.610 0.3 . 1 . . . A 78 ILE CD1 . 19870 1 777 . 1 1 78 78 ILE N N 15 127.006 0.3 . 1 . . . A 78 ILE N . 19870 1 778 . 1 1 79 79 SER H H 1 8.495 0.020 . 1 . . . A 79 SER H . 19870 1 779 . 1 1 79 79 SER HA H 1 4.800 0.020 . 1 . . . A 79 SER HA . 19870 1 780 . 1 1 79 79 SER HB2 H 1 3.700 0.020 . 2 . . . A 79 SER HB2 . 19870 1 781 . 1 1 79 79 SER HB3 H 1 3.613 0.020 . 2 . . . A 79 SER HB3 . 19870 1 782 . 1 1 79 79 SER C C 13 173.800 0.3 . 1 . . . A 79 SER C . 19870 1 783 . 1 1 79 79 SER CA C 13 56.540 0.3 . 1 . . . A 79 SER CA . 19870 1 784 . 1 1 79 79 SER CB C 13 64.273 0.3 . 1 . . . A 79 SER CB . 19870 1 785 . 1 1 79 79 SER N N 15 121.450 0.3 . 1 . . . A 79 SER N . 19870 1 786 . 1 1 80 80 GLY H H 1 7.728 0.020 . 1 . . . A 80 GLY H . 19870 1 787 . 1 1 80 80 GLY HA2 H 1 3.585 0.020 . 2 . . . A 80 GLY HA2 . 19870 1 788 . 1 1 80 80 GLY HA3 H 1 3.333 0.020 . 2 . . . A 80 GLY HA3 . 19870 1 789 . 1 1 80 80 GLY C C 13 174.356 0.3 . 1 . . . A 80 GLY C . 19870 1 790 . 1 1 80 80 GLY CA C 13 47.144 0.3 . 1 . . . A 80 GLY CA . 19870 1 791 . 1 1 80 80 GLY N N 15 110.237 0.3 . 1 . . . A 80 GLY N . 19870 1 792 . 1 1 81 81 LEU H H 1 7.954 0.020 . 1 . . . A 81 LEU H . 19870 1 793 . 1 1 81 81 LEU HA H 1 3.667 0.020 . 1 . . . A 81 LEU HA . 19870 1 794 . 1 1 81 81 LEU HB2 H 1 1.425 0.020 . 2 . . . A 81 LEU HB2 . 19870 1 795 . 1 1 81 81 LEU HB3 H 1 1.420 0.020 . 2 . . . A 81 LEU HB3 . 19870 1 796 . 1 1 81 81 LEU HG H 1 1.394 0.020 . 1 . . . A 81 LEU HG . 19870 1 797 . 1 1 81 81 LEU HD11 H 1 0.663 0.020 . 2 . . . A 81 LEU HD11 . 19870 1 798 . 1 1 81 81 LEU HD12 H 1 0.663 0.020 . 2 . . . A 81 LEU HD12 . 19870 1 799 . 1 1 81 81 LEU HD13 H 1 0.663 0.020 . 2 . . . A 81 LEU HD13 . 19870 1 800 . 1 1 81 81 LEU HD21 H 1 0.728 0.020 . 2 . . . A 81 LEU HD21 . 19870 1 801 . 1 1 81 81 LEU HD22 H 1 0.728 0.020 . 2 . . . A 81 LEU HD22 . 19870 1 802 . 1 1 81 81 LEU HD23 H 1 0.728 0.020 . 2 . . . A 81 LEU HD23 . 19870 1 803 . 1 1 81 81 LEU C C 13 174.248 0.3 . 1 . . . A 81 LEU C . 19870 1 804 . 1 1 81 81 LEU CA C 13 56.600 0.3 . 1 . . . A 81 LEU CA . 19870 1 805 . 1 1 81 81 LEU CB C 13 43.827 0.3 . 1 . . . A 81 LEU CB . 19870 1 806 . 1 1 81 81 LEU CG C 13 26.700 0.3 . 1 . . . A 81 LEU CG . 19870 1 807 . 1 1 81 81 LEU CD1 C 13 26.500 0.3 . 1 . . . A 81 LEU CD1 . 19870 1 808 . 1 1 81 81 LEU CD2 C 13 25.800 0.3 . 1 . . . A 81 LEU CD2 . 19870 1 809 . 1 1 81 81 LEU N N 15 117.160 0.3 . 1 . . . A 81 LEU N . 19870 1 810 . 1 1 82 82 LYS H H 1 9.026 0.020 . 1 . . . A 82 LYS H . 19870 1 811 . 1 1 82 82 LYS HA H 1 4.839 0.020 . 1 . . . A 82 LYS HA . 19870 1 812 . 1 1 82 82 LYS HB2 H 1 2.143 0.020 . 2 . . . A 82 LYS HB2 . 19870 1 813 . 1 1 82 82 LYS HB3 H 1 1.540 0.020 . 2 . . . A 82 LYS HB3 . 19870 1 814 . 1 1 82 82 LYS HG2 H 1 1.617 0.020 . 2 . . . A 82 LYS HG2 . 19870 1 815 . 1 1 82 82 LYS HG3 H 1 1.366 0.020 . 2 . . . A 82 LYS HG3 . 19870 1 816 . 1 1 82 82 LYS HD2 H 1 1.670 0.020 . 2 . . . A 82 LYS HD2 . 19870 1 817 . 1 1 82 82 LYS HD3 H 1 1.640 0.020 . 2 . . . A 82 LYS HD3 . 19870 1 818 . 1 1 82 82 LYS HE2 H 1 2.893 0.020 . 2 . . . A 82 LYS HE2 . 19870 1 819 . 1 1 82 82 LYS HE3 H 1 3.010 0.020 . 2 . . . A 82 LYS HE3 . 19870 1 820 . 1 1 82 82 LYS C C 13 177.252 0.3 . 1 . . . A 82 LYS C . 19870 1 821 . 1 1 82 82 LYS CA C 13 53.649 0.3 . 1 . . . A 82 LYS CA . 19870 1 822 . 1 1 82 82 LYS CB C 13 36.087 0.3 . 1 . . . A 82 LYS CB . 19870 1 823 . 1 1 82 82 LYS CG C 13 24.477 0.3 . 1 . . . A 82 LYS CG . 19870 1 824 . 1 1 82 82 LYS CD C 13 29.200 0.3 . 1 . . . A 82 LYS CD . 19870 1 825 . 1 1 82 82 LYS CE C 13 42.400 0.3 . 1 . . . A 82 LYS CE . 19870 1 826 . 1 1 82 82 LYS N N 15 125.252 0.3 . 1 . . . A 82 LYS N . 19870 1 827 . 1 1 83 83 THR H H 1 8.806 0.020 . 1 . . . A 83 THR H . 19870 1 828 . 1 1 83 83 THR HA H 1 4.159 0.020 . 1 . . . A 83 THR HA . 19870 1 829 . 1 1 83 83 THR HB H 1 3.797 0.020 . 1 . . . A 83 THR HB . 19870 1 830 . 1 1 83 83 THR HG21 H 1 1.298 0.020 . 1 . . . A 83 THR HG21 . 19870 1 831 . 1 1 83 83 THR HG22 H 1 1.298 0.020 . 1 . . . A 83 THR HG22 . 19870 1 832 . 1 1 83 83 THR HG23 H 1 1.298 0.020 . 1 . . . A 83 THR HG23 . 19870 1 833 . 1 1 83 83 THR C C 13 177.237 0.3 . 1 . . . A 83 THR C . 19870 1 834 . 1 1 83 83 THR CA C 13 67.823 0.3 . 1 . . . A 83 THR CA . 19870 1 835 . 1 1 83 83 THR CB C 13 66.442 0.3 . 1 . . . A 83 THR CB . 19870 1 836 . 1 1 83 83 THR CG2 C 13 21.808 0.3 . 1 . . . A 83 THR CG2 . 19870 1 837 . 1 1 83 83 THR N N 15 116.297 0.3 . 1 . . . A 83 THR N . 19870 1 838 . 1 1 84 84 GLU H H 1 8.798 0.020 . 1 . . . A 84 GLU H . 19870 1 839 . 1 1 84 84 GLU HA H 1 4.305 0.020 . 1 . . . A 84 GLU HA . 19870 1 840 . 1 1 84 84 GLU HB2 H 1 2.140 0.020 . 2 . . . A 84 GLU HB2 . 19870 1 841 . 1 1 84 84 GLU HB3 H 1 2.060 0.020 . 2 . . . A 84 GLU HB3 . 19870 1 842 . 1 1 84 84 GLU HG2 H 1 2.177 0.020 . 2 . . . A 84 GLU HG2 . 19870 1 843 . 1 1 84 84 GLU HG3 H 1 2.170 0.020 . 2 . . . A 84 GLU HG3 . 19870 1 844 . 1 1 84 84 GLU C C 13 175.394 0.3 . 1 . . . A 84 GLU C . 19870 1 845 . 1 1 84 84 GLU CA C 13 57.985 0.3 . 1 . . . A 84 GLU CA . 19870 1 846 . 1 1 84 84 GLU CB C 13 28.427 0.3 . 1 . . . A 84 GLU CB . 19870 1 847 . 1 1 84 84 GLU CG C 13 35.711 0.3 . 1 . . . A 84 GLU CG . 19870 1 848 . 1 1 84 84 GLU N N 15 118.205 0.3 . 1 . . . A 84 GLU N . 19870 1 849 . 1 1 85 85 ASP H H 1 8.101 0.020 . 1 . . . A 85 ASP H . 19870 1 850 . 1 1 85 85 ASP HA H 1 4.568 0.020 . 1 . . . A 85 ASP HA . 19870 1 851 . 1 1 85 85 ASP HB2 H 1 2.900 0.020 . 2 . . . A 85 ASP HB2 . 19870 1 852 . 1 1 85 85 ASP HB3 H 1 2.630 0.020 . 2 . . . A 85 ASP HB3 . 19870 1 853 . 1 1 85 85 ASP C C 13 177.407 0.3 . 1 . . . A 85 ASP C . 19870 1 854 . 1 1 85 85 ASP CA C 13 54.509 0.3 . 1 . . . A 85 ASP CA . 19870 1 855 . 1 1 85 85 ASP CB C 13 40.430 0.3 . 1 . . . A 85 ASP CB . 19870 1 856 . 1 1 85 85 ASP N N 15 119.742 0.3 . 1 . . . A 85 ASP N . 19870 1 857 . 1 1 86 86 GLU H H 1 7.518 0.020 . 1 . . . A 86 GLU H . 19870 1 858 . 1 1 86 86 GLU HA H 1 4.120 0.020 . 1 . . . A 86 GLU HA . 19870 1 859 . 1 1 86 86 GLU HB2 H 1 2.226 0.020 . 2 . . . A 86 GLU HB2 . 19870 1 860 . 1 1 86 86 GLU HB3 H 1 2.132 0.020 . 2 . . . A 86 GLU HB3 . 19870 1 861 . 1 1 86 86 GLU HG2 H 1 3.100 0.020 . 2 . . . A 86 GLU HG2 . 19870 1 862 . 1 1 86 86 GLU HG3 H 1 2.159 0.020 . 2 . . . A 86 GLU HG3 . 19870 1 863 . 1 1 86 86 GLU C C 13 174.914 0.3 . 1 . . . A 86 GLU C . 19870 1 864 . 1 1 86 86 GLU CA C 13 58.852 0.3 . 1 . . . A 86 GLU CA . 19870 1 865 . 1 1 86 86 GLU CB C 13 29.655 0.3 . 1 . . . A 86 GLU CB . 19870 1 866 . 1 1 86 86 GLU CG C 13 36.376 0.3 . 1 . . . A 86 GLU CG . 19870 1 867 . 1 1 86 86 GLU N N 15 121.665 0.3 . 1 . . . A 86 GLU N . 19870 1 868 . 1 1 87 87 ALA H H 1 8.077 0.020 . 1 . . . A 87 ALA H . 19870 1 869 . 1 1 87 87 ALA HA H 1 4.362 0.020 . 1 . . . A 87 ALA HA . 19870 1 870 . 1 1 87 87 ALA HB1 H 1 1.037 0.020 . 1 . . . A 87 ALA HB1 . 19870 1 871 . 1 1 87 87 ALA HB2 H 1 1.037 0.020 . 1 . . . A 87 ALA HB2 . 19870 1 872 . 1 1 87 87 ALA HB3 H 1 1.037 0.020 . 1 . . . A 87 ALA HB3 . 19870 1 873 . 1 1 87 87 ALA C C 13 174.511 0.3 . 1 . . . A 87 ALA C . 19870 1 874 . 1 1 87 87 ALA CA C 13 51.553 0.3 . 1 . . . A 87 ALA CA . 19870 1 875 . 1 1 87 87 ALA CB C 13 19.833 0.3 . 1 . . . A 87 ALA CB . 19870 1 876 . 1 1 87 87 ALA N N 15 126.586 0.3 . 1 . . . A 87 ALA N . 19870 1 877 . 1 1 88 88 ASP H H 1 7.623 0.020 . 1 . . . A 88 ASP H . 19870 1 878 . 1 1 88 88 ASP HA H 1 5.727 0.020 . 1 . . . A 88 ASP HA . 19870 1 879 . 1 1 88 88 ASP HB2 H 1 2.530 0.020 . 2 . . . A 88 ASP HB2 . 19870 1 880 . 1 1 88 88 ASP HB3 H 1 2.084 0.020 . 2 . . . A 88 ASP HB3 . 19870 1 881 . 1 1 88 88 ASP C C 13 175.300 0.3 . 1 . . . A 88 ASP C . 19870 1 882 . 1 1 88 88 ASP CA C 13 53.504 0.3 . 1 . . . A 88 ASP CA . 19870 1 883 . 1 1 88 88 ASP CB C 13 43.025 0.3 . 1 . . . A 88 ASP CB . 19870 1 884 . 1 1 88 88 ASP N N 15 117.376 0.3 . 1 . . . A 88 ASP N . 19870 1 885 . 1 1 89 89 TYR H H 1 8.974 0.020 . 1 . . . A 89 TYR H . 19870 1 886 . 1 1 89 89 TYR HA H 1 5.730 0.020 . 1 . . . A 89 TYR HA . 19870 1 887 . 1 1 89 89 TYR HB2 H 1 2.870 0.020 . 2 . . . A 89 TYR HB2 . 19870 1 888 . 1 1 89 89 TYR HB3 H 1 2.730 0.020 . 2 . . . A 89 TYR HB3 . 19870 1 889 . 1 1 89 89 TYR HD1 H 1 6.980 0.020 . 1 . . . A 89 TYR HD1 . 19870 1 890 . 1 1 89 89 TYR HD2 H 1 6.980 0.020 . 1 . . . A 89 TYR HD2 . 19870 1 891 . 1 1 89 89 TYR HE1 H 1 6.880 0.020 . 1 . . . A 89 TYR HE1 . 19870 1 892 . 1 1 89 89 TYR HE2 H 1 6.880 0.020 . 1 . . . A 89 TYR HE2 . 19870 1 893 . 1 1 89 89 TYR C C 13 176.697 0.3 . 1 . . . A 89 TYR C . 19870 1 894 . 1 1 89 89 TYR CA C 13 56.323 0.3 . 1 . . . A 89 TYR CA . 19870 1 895 . 1 1 89 89 TYR CB C 13 42.561 0.3 . 1 . . . A 89 TYR CB . 19870 1 896 . 1 1 89 89 TYR N N 15 117.753 0.3 . 1 . . . A 89 TYR N . 19870 1 897 . 1 1 90 90 TYR H H 1 9.305 0.020 . 1 . . . A 90 TYR H . 19870 1 898 . 1 1 90 90 TYR HA H 1 5.246 0.020 . 1 . . . A 90 TYR HA . 19870 1 899 . 1 1 90 90 TYR HB2 H 1 3.070 0.020 . 2 . . . A 90 TYR HB2 . 19870 1 900 . 1 1 90 90 TYR HB3 H 1 2.720 0.020 . 2 . . . A 90 TYR HB3 . 19870 1 901 . 1 1 90 90 TYR HD1 H 1 6.873 0.020 . 3 . . . A 90 TYR HD1 . 19870 1 902 . 1 1 90 90 TYR HD2 H 1 6.873 0.020 . 3 . . . A 90 TYR HD2 . 19870 1 903 . 1 1 90 90 TYR HE1 H 1 6.670 0.020 . 1 . . . A 90 TYR HE1 . 19870 1 904 . 1 1 90 90 TYR HE2 H 1 6.670 0.020 . 1 . . . A 90 TYR HE2 . 19870 1 905 . 1 1 90 90 TYR C C 13 175.208 0.3 . 1 . . . A 90 TYR C . 19870 1 906 . 1 1 90 90 TYR CA C 13 57.300 0.3 . 1 . . . A 90 TYR CA . 19870 1 907 . 1 1 90 90 TYR CB C 13 42.881 0.3 . 1 . . . A 90 TYR CB . 19870 1 908 . 1 1 90 90 TYR N N 15 120.755 0.3 . 1 . . . A 90 TYR N . 19870 1 909 . 1 1 91 91 CYS H H 1 7.739 0.020 . 1 . . . A 91 CYS H . 19870 1 910 . 1 1 91 91 CYS HA H 1 5.000 0.020 . 1 . . . A 91 CYS HA . 19870 1 911 . 1 1 91 91 CYS C C 13 173.551 0.3 . 1 . . . A 91 CYS C . 19870 1 912 . 1 1 91 91 CYS CA C 13 53.288 0.3 . 1 . . . A 91 CYS CA . 19870 1 913 . 1 1 91 91 CYS CB C 13 44.837 0.3 . 1 . . . A 91 CYS CB . 19870 1 914 . 1 1 91 91 CYS N N 15 117.771 0.3 . 1 . . . A 91 CYS N . 19870 1 915 . 1 1 92 92 GLN H H 1 8.410 0.020 . 1 . . . A 92 GLN H . 19870 1 916 . 1 1 92 92 GLN HA H 1 4.814 0.020 . 1 . . . A 92 GLN HA . 19870 1 917 . 1 1 92 92 GLN HB2 H 1 1.310 0.020 . 2 . . . A 92 GLN HB2 . 19870 1 918 . 1 1 92 92 GLN HB3 H 1 1.280 0.020 . 2 . . . A 92 GLN HB3 . 19870 1 919 . 1 1 92 92 GLN HG2 H 1 1.630 0.020 . 2 . . . A 92 GLN HG2 . 19870 1 920 . 1 1 92 92 GLN HG3 H 1 1.650 0.020 . 2 . . . A 92 GLN HG3 . 19870 1 921 . 1 1 92 92 GLN C C 13 173.800 0.3 . 1 . . . A 92 GLN C . 19870 1 922 . 1 1 92 92 GLN CA C 13 54.500 0.3 . 1 . . . A 92 GLN CA . 19870 1 923 . 1 1 92 92 GLN CB C 13 32.200 0.3 . 1 . . . A 92 GLN CB . 19870 1 924 . 1 1 92 92 GLN CG C 13 32.400 0.3 . 1 . . . A 92 GLN CG . 19870 1 925 . 1 1 92 92 GLN N N 15 121.161 0.3 . 1 . . . A 92 GLN N . 19870 1 926 . 1 1 93 93 SER H H 1 8.819 0.020 . 1 . . . A 93 SER H . 19870 1 927 . 1 1 93 93 SER HA H 1 4.327 0.020 . 1 . . . A 93 SER HA . 19870 1 928 . 1 1 93 93 SER HB2 H 1 3.473 0.020 . 2 . . . A 93 SER HB2 . 19870 1 929 . 1 1 93 93 SER HB3 H 1 3.361 0.020 . 2 . . . A 93 SER HB3 . 19870 1 930 . 1 1 93 93 SER C C 13 173.800 0.3 . 1 . . . A 93 SER C . 19870 1 931 . 1 1 93 93 SER CA C 13 55.255 0.3 . 1 . . . A 93 SER CA . 19870 1 932 . 1 1 93 93 SER CB C 13 64.923 0.3 . 1 . . . A 93 SER CB . 19870 1 933 . 1 1 93 93 SER N N 15 119.790 0.3 . 1 . . . A 93 SER N . 19870 1 934 . 1 1 94 94 TYR HA H 1 5.660 0.020 . 1 . . . A 94 TYR HA . 19870 1 935 . 1 1 94 94 TYR HB2 H 1 2.891 0.020 . 2 . . . A 94 TYR HB2 . 19870 1 936 . 1 1 94 94 TYR HB3 H 1 2.343 0.020 . 2 . . . A 94 TYR HB3 . 19870 1 937 . 1 1 94 94 TYR HD1 H 1 6.833 0.020 . 1 . . . A 94 TYR HD1 . 19870 1 938 . 1 1 94 94 TYR HD2 H 1 6.833 0.020 . 1 . . . A 94 TYR HD2 . 19870 1 939 . 1 1 94 94 TYR HE1 H 1 6.910 0.020 . 1 . . . A 94 TYR HE1 . 19870 1 940 . 1 1 94 94 TYR HE2 H 1 6.910 0.020 . 1 . . . A 94 TYR HE2 . 19870 1 941 . 1 1 94 94 TYR C C 13 173.907 0.3 . 1 . . . A 94 TYR C . 19870 1 942 . 1 1 94 94 TYR CA C 13 55.673 0.3 . 1 . . . A 94 TYR CA . 19870 1 943 . 1 1 94 94 TYR CB C 13 43.242 0.3 . 1 . . . A 94 TYR CB . 19870 1 944 . 1 1 95 95 ASP H H 1 8.408 0.020 . 1 . . . A 95 ASP H . 19870 1 945 . 1 1 95 95 ASP HA H 1 4.553 0.020 . 1 . . . A 95 ASP HA . 19870 1 946 . 1 1 95 95 ASP HB2 H 1 3.457 0.020 . 2 . . . A 95 ASP HB2 . 19870 1 947 . 1 1 95 95 ASP HB3 H 1 2.709 0.020 . 2 . . . A 95 ASP HB3 . 19870 1 948 . 1 1 95 95 ASP C C 13 178.785 0.3 . 1 . . . A 95 ASP C . 19870 1 949 . 1 1 95 95 ASP CA C 13 51.625 0.3 . 1 . . . A 95 ASP CA . 19870 1 950 . 1 1 95 95 ASP CB C 13 41.869 0.3 . 1 . . . A 95 ASP CB . 19870 1 951 . 1 1 95 95 ASP N N 15 118.148 0.3 . 1 . . . A 95 ASP N . 19870 1 952 . 1 1 96 96 SER HA H 1 4.208 0.020 . 1 . . . A 96 SER HA . 19870 1 953 . 1 1 96 96 SER HB2 H 1 3.910 0.020 . 2 . . . A 96 SER HB2 . 19870 1 954 . 1 1 96 96 SER HB3 H 1 3.880 0.020 . 2 . . . A 96 SER HB3 . 19870 1 955 . 1 1 96 96 SER C C 13 175.400 0.3 . 1 . . . A 96 SER C . 19870 1 956 . 1 1 96 96 SER CA C 13 60.297 0.3 . 1 . . . A 96 SER CA . 19870 1 957 . 1 1 96 96 SER CB C 13 62.393 0.3 . 1 . . . A 96 SER CB . 19870 1 958 . 1 1 97 97 SER H H 1 8.204 0.020 . 1 . . . A 97 SER H . 19870 1 959 . 1 1 97 97 SER HA H 1 4.541 0.020 . 1 . . . A 97 SER HA . 19870 1 960 . 1 1 97 97 SER HB2 H 1 3.720 0.020 . 2 . . . A 97 SER HB2 . 19870 1 961 . 1 1 97 97 SER HB3 H 1 3.540 0.020 . 2 . . . A 97 SER HB3 . 19870 1 962 . 1 1 97 97 SER C C 13 172.932 0.3 . 1 . . . A 97 SER C . 19870 1 963 . 1 1 97 97 SER CA C 13 57.624 0.3 . 1 . . . A 97 SER CA . 19870 1 964 . 1 1 97 97 SER CB C 13 62.560 0.3 . 1 . . . A 97 SER CB . 19870 1 965 . 1 1 97 97 SER N N 15 118.409 0.3 . 1 . . . A 97 SER N . 19870 1 966 . 1 1 98 98 ASN H H 1 8.350 0.020 . 1 . . . A 98 ASN H . 19870 1 967 . 1 1 98 98 ASN HA H 1 4.266 0.020 . 1 . . . A 98 ASN HA . 19870 1 968 . 1 1 98 98 ASN HB2 H 1 3.023 0.020 . 2 . . . A 98 ASN HB2 . 19870 1 969 . 1 1 98 98 ASN HB3 H 1 2.686 0.020 . 2 . . . A 98 ASN HB3 . 19870 1 970 . 1 1 98 98 ASN HD21 H 1 7.281 0.020 . 1 . . . A 98 ASN HD21 . 19870 1 971 . 1 1 98 98 ASN HD22 H 1 6.576 0.020 . 1 . . . A 98 ASN HD22 . 19870 1 972 . 1 1 98 98 ASN C C 13 173.938 0.3 . 1 . . . A 98 ASN C . 19870 1 973 . 1 1 98 98 ASN CA C 13 54.425 0.3 . 1 . . . A 98 ASN CA . 19870 1 974 . 1 1 98 98 ASN CB C 13 37.533 0.3 . 1 . . . A 98 ASN CB . 19870 1 975 . 1 1 98 98 ASN N N 15 115.462 0.3 . 1 . . . A 98 ASN N . 19870 1 976 . 1 1 98 98 ASN ND2 N 15 112.221 0.3 . 1 . . . A 98 ASN ND2 . 19870 1 977 . 1 1 99 99 HIS H H 1 8.448 0.020 . 1 . . . A 99 HIS H . 19870 1 978 . 1 1 99 99 HIS HA H 1 5.040 0.020 . 1 . . . A 99 HIS HA . 19870 1 979 . 1 1 99 99 HIS HB2 H 1 3.350 0.020 . 2 . . . A 99 HIS HB2 . 19870 1 980 . 1 1 99 99 HIS HB3 H 1 3.150 0.020 . 2 . . . A 99 HIS HB3 . 19870 1 981 . 1 1 99 99 HIS HD2 H 1 7.230 0.020 . 1 . . . A 99 HIS HD2 . 19870 1 982 . 1 1 99 99 HIS HE1 H 1 8.560 0.020 . 1 . . . A 99 HIS HE1 . 19870 1 983 . 1 1 99 99 HIS C C 13 175.100 0.3 . 1 . . . A 99 HIS C . 19870 1 984 . 1 1 99 99 HIS CA C 13 54.600 0.3 . 1 . . . A 99 HIS CA . 19870 1 985 . 1 1 99 99 HIS CB C 13 28.700 0.3 . 1 . . . A 99 HIS CB . 19870 1 986 . 1 1 99 99 HIS N N 15 117.924 0.3 . 1 . . . A 99 HIS N . 19870 1 987 . 1 1 100 100 VAL HA H 1 3.692 0.020 . 1 . . . A 100 VAL HA . 19870 1 988 . 1 1 100 100 VAL HB H 1 1.950 0.020 . 1 . . . A 100 VAL HB . 19870 1 989 . 1 1 100 100 VAL HG11 H 1 0.971 0.020 . 2 . . . A 100 VAL HG11 . 19870 1 990 . 1 1 100 100 VAL HG12 H 1 0.971 0.020 . 2 . . . A 100 VAL HG12 . 19870 1 991 . 1 1 100 100 VAL HG13 H 1 0.971 0.020 . 2 . . . A 100 VAL HG13 . 19870 1 992 . 1 1 100 100 VAL HG21 H 1 0.605 0.020 . 2 . . . A 100 VAL HG21 . 19870 1 993 . 1 1 100 100 VAL HG22 H 1 0.605 0.020 . 2 . . . A 100 VAL HG22 . 19870 1 994 . 1 1 100 100 VAL HG23 H 1 0.605 0.020 . 2 . . . A 100 VAL HG23 . 19870 1 995 . 1 1 100 100 VAL C C 13 173.425 0.3 . 1 . . . A 100 VAL C . 19870 1 996 . 1 1 100 100 VAL CA C 13 61.165 0.3 . 1 . . . A 100 VAL CA . 19870 1 997 . 1 1 100 100 VAL CB C 13 31.823 0.3 . 1 . . . A 100 VAL CB . 19870 1 998 . 1 1 100 100 VAL CG1 C 13 22.613 0.3 . 1 . . . A 100 VAL CG1 . 19870 1 999 . 1 1 100 100 VAL CG2 C 13 21.696 0.3 . 1 . . . A 100 VAL CG2 . 19870 1 1000 . 1 1 101 101 VAL H H 1 7.979 0.020 . 1 . . . A 101 VAL H . 19870 1 1001 . 1 1 101 101 VAL HA H 1 4.126 0.020 . 1 . . . A 101 VAL HA . 19870 1 1002 . 1 1 101 101 VAL HB H 1 1.615 0.020 . 1 . . . A 101 VAL HB . 19870 1 1003 . 1 1 101 101 VAL HG11 H 1 0.565 0.020 . 2 . . . A 101 VAL HG11 . 19870 1 1004 . 1 1 101 101 VAL HG12 H 1 0.565 0.020 . 2 . . . A 101 VAL HG12 . 19870 1 1005 . 1 1 101 101 VAL HG13 H 1 0.565 0.020 . 2 . . . A 101 VAL HG13 . 19870 1 1006 . 1 1 101 101 VAL HG21 H 1 1.203 0.020 . 2 . . . A 101 VAL HG21 . 19870 1 1007 . 1 1 101 101 VAL HG22 H 1 1.203 0.020 . 2 . . . A 101 VAL HG22 . 19870 1 1008 . 1 1 101 101 VAL HG23 H 1 1.203 0.020 . 2 . . . A 101 VAL HG23 . 19870 1 1009 . 1 1 101 101 VAL C C 13 173.800 0.3 . 1 . . . A 101 VAL C . 19870 1 1010 . 1 1 101 101 VAL CA C 13 60.128 0.3 . 1 . . . A 101 VAL CA . 19870 1 1011 . 1 1 101 101 VAL CB C 13 35.076 0.3 . 1 . . . A 101 VAL CB . 19870 1 1012 . 1 1 101 101 VAL CG1 C 13 21.500 0.3 . 1 . . . A 101 VAL CG1 . 19870 1 1013 . 1 1 101 101 VAL CG2 C 13 21.174 0.3 . 1 . . . A 101 VAL CG2 . 19870 1 1014 . 1 1 101 101 VAL N N 15 127.789 0.3 . 1 . . . A 101 VAL N . 19870 1 1015 . 1 1 102 102 PHE HA H 1 4.888 0.020 . 1 . . . A 102 PHE HA . 19870 1 1016 . 1 1 102 102 PHE HB2 H 1 3.426 0.020 . 2 . . . A 102 PHE HB2 . 19870 1 1017 . 1 1 102 102 PHE HB3 H 1 2.913 0.020 . 2 . . . A 102 PHE HB3 . 19870 1 1018 . 1 1 102 102 PHE C C 13 174.500 0.3 . 1 . . . A 102 PHE C . 19870 1 1019 . 1 1 103 103 GLY H H 1 9.104 0.020 . 1 . . . A 103 GLY H . 19870 1 1020 . 1 1 103 103 GLY HA2 H 1 4.316 0.020 . 2 . . . A 103 GLY HA2 . 19870 1 1021 . 1 1 103 103 GLY HA3 H 1 4.207 0.020 . 2 . . . A 103 GLY HA3 . 19870 1 1022 . 1 1 103 103 GLY C C 13 174.516 0.3 . 1 . . . A 103 GLY C . 19870 1 1023 . 1 1 103 103 GLY CA C 13 44.832 0.3 . 1 . . . A 103 GLY CA . 19870 1 1024 . 1 1 103 103 GLY N N 15 109.758 0.3 . 1 . . . A 103 GLY N . 19870 1 1025 . 1 1 105 105 GLY H H 1 7.023 0.020 . 1 . . . A 105 GLY H . 19870 1 1026 . 1 1 105 105 GLY HA2 H 1 3.886 0.020 . 2 . . . A 105 GLY HA2 . 19870 1 1027 . 1 1 105 105 GLY HA3 H 1 3.127 0.020 . 2 . . . A 105 GLY HA3 . 19870 1 1028 . 1 1 105 105 GLY C C 13 172.226 0.3 . 1 . . . A 105 GLY C . 19870 1 1029 . 1 1 105 105 GLY CA C 13 45.555 0.3 . 1 . . . A 105 GLY CA . 19870 1 1030 . 1 1 105 105 GLY N N 15 105.775 0.3 . 1 . . . A 105 GLY N . 19870 1 1031 . 1 1 106 106 THR H H 1 8.148 0.020 . 1 . . . A 106 THR H . 19870 1 1032 . 1 1 106 106 THR HA H 1 4.730 0.020 . 1 . . . A 106 THR HA . 19870 1 1033 . 1 1 106 106 THR HB H 1 3.645 0.020 . 1 . . . A 106 THR HB . 19870 1 1034 . 1 1 106 106 THR HG21 H 1 1.008 0.020 . 1 . . . A 106 THR HG21 . 19870 1 1035 . 1 1 106 106 THR HG22 H 1 1.008 0.020 . 1 . . . A 106 THR HG22 . 19870 1 1036 . 1 1 106 106 THR HG23 H 1 1.008 0.020 . 1 . . . A 106 THR HG23 . 19870 1 1037 . 1 1 106 106 THR C C 13 173.600 0.3 . 1 . . . A 106 THR C . 19870 1 1038 . 1 1 106 106 THR CA C 13 60.804 0.3 . 1 . . . A 106 THR CA . 19870 1 1039 . 1 1 106 106 THR CB C 13 72.945 0.3 . 1 . . . A 106 THR CB . 19870 1 1040 . 1 1 106 106 THR CG2 C 13 22.553 0.3 . 1 . . . A 106 THR CG2 . 19870 1 1041 . 1 1 106 106 THR N N 15 119.104 0.3 . 1 . . . A 106 THR N . 19870 1 1042 . 1 1 107 107 LYS H H 1 8.236 0.020 . 1 . . . A 107 LYS H . 19870 1 1043 . 1 1 107 107 LYS HA H 1 4.779 0.020 . 1 . . . A 107 LYS HA . 19870 1 1044 . 1 1 107 107 LYS HB2 H 1 1.773 0.020 . 2 . . . A 107 LYS HB2 . 19870 1 1045 . 1 1 107 107 LYS HB3 H 1 1.743 0.020 . 2 . . . A 107 LYS HB3 . 19870 1 1046 . 1 1 107 107 LYS HG2 H 1 1.320 0.020 . 2 . . . A 107 LYS HG2 . 19870 1 1047 . 1 1 107 107 LYS HG3 H 1 1.290 0.020 . 2 . . . A 107 LYS HG3 . 19870 1 1048 . 1 1 107 107 LYS HD2 H 1 1.690 0.020 . 2 . . . A 107 LYS HD2 . 19870 1 1049 . 1 1 107 107 LYS HD3 H 1 1.660 0.020 . 2 . . . A 107 LYS HD3 . 19870 1 1050 . 1 1 107 107 LYS HE2 H 1 2.970 0.020 . 1 . . . A 107 LYS HE2 . 19870 1 1051 . 1 1 107 107 LYS HE3 H 1 2.970 0.020 . 1 . . . A 107 LYS HE3 . 19870 1 1052 . 1 1 107 107 LYS C C 13 174.777 0.3 . 1 . . . A 107 LYS C . 19870 1 1053 . 1 1 107 107 LYS CA C 13 55.962 0.3 . 1 . . . A 107 LYS CA . 19870 1 1054 . 1 1 107 107 LYS CB C 13 32.200 0.3 . 1 . . . A 107 LYS CB . 19870 1 1055 . 1 1 107 107 LYS CG C 13 24.100 0.3 . 1 . . . A 107 LYS CG . 19870 1 1056 . 1 1 107 107 LYS CD C 13 28.400 0.3 . 1 . . . A 107 LYS CD . 19870 1 1057 . 1 1 107 107 LYS CE C 13 41.800 0.3 . 1 . . . A 107 LYS CE . 19870 1 1058 . 1 1 107 107 LYS N N 15 128.712 0.3 . 1 . . . A 107 LYS N . 19870 1 1059 . 1 1 108 108 LEU H H 1 8.894 0.020 . 1 . . . A 108 LEU H . 19870 1 1060 . 1 1 108 108 LEU HA H 1 5.372 0.020 . 1 . . . A 108 LEU HA . 19870 1 1061 . 1 1 108 108 LEU HB2 H 1 2.446 0.020 . 2 . . . A 108 LEU HB2 . 19870 1 1062 . 1 1 108 108 LEU HB3 H 1 1.256 0.020 . 2 . . . A 108 LEU HB3 . 19870 1 1063 . 1 1 108 108 LEU HG H 1 1.410 0.020 . 1 . . . A 108 LEU HG . 19870 1 1064 . 1 1 108 108 LEU HD11 H 1 0.760 0.020 . 2 . . . A 108 LEU HD11 . 19870 1 1065 . 1 1 108 108 LEU HD12 H 1 0.760 0.020 . 2 . . . A 108 LEU HD12 . 19870 1 1066 . 1 1 108 108 LEU HD13 H 1 0.760 0.020 . 2 . . . A 108 LEU HD13 . 19870 1 1067 . 1 1 108 108 LEU HD21 H 1 0.729 0.020 . 2 . . . A 108 LEU HD21 . 19870 1 1068 . 1 1 108 108 LEU HD22 H 1 0.729 0.020 . 2 . . . A 108 LEU HD22 . 19870 1 1069 . 1 1 108 108 LEU HD23 H 1 0.729 0.020 . 2 . . . A 108 LEU HD23 . 19870 1 1070 . 1 1 108 108 LEU C C 13 175.301 0.3 . 1 . . . A 108 LEU C . 19870 1 1071 . 1 1 108 108 LEU CA C 13 54.100 0.3 . 1 . . . A 108 LEU CA . 19870 1 1072 . 1 1 108 108 LEU CB C 13 44.300 0.3 . 1 . . . A 108 LEU CB . 19870 1 1073 . 1 1 108 108 LEU CG C 13 28.500 0.3 . 1 . . . A 108 LEU CG . 19870 1 1074 . 1 1 108 108 LEU CD1 C 13 26.200 0.3 . 1 . . . A 108 LEU CD1 . 19870 1 1075 . 1 1 108 108 LEU CD2 C 13 25.400 0.3 . 1 . . . A 108 LEU CD2 . 19870 1 1076 . 1 1 108 108 LEU N N 15 133.744 0.3 . 1 . . . A 108 LEU N . 19870 1 1077 . 1 1 109 109 THR H H 1 8.634 0.020 . 1 . . . A 109 THR H . 19870 1 1078 . 1 1 109 109 THR HA H 1 4.527 0.020 . 1 . . . A 109 THR HA . 19870 1 1079 . 1 1 109 109 THR HB H 1 3.969 0.020 . 1 . . . A 109 THR HB . 19870 1 1080 . 1 1 109 109 THR HG21 H 1 1.125 0.020 . 1 . . . A 109 THR HG21 . 19870 1 1081 . 1 1 109 109 THR HG22 H 1 1.125 0.020 . 1 . . . A 109 THR HG22 . 19870 1 1082 . 1 1 109 109 THR HG23 H 1 1.125 0.020 . 1 . . . A 109 THR HG23 . 19870 1 1083 . 1 1 109 109 THR C C 13 172.500 0.3 . 1 . . . A 109 THR C . 19870 1 1084 . 1 1 109 109 THR CA C 13 61.021 0.3 . 1 . . . A 109 THR CA . 19870 1 1085 . 1 1 109 109 THR CB C 13 70.705 0.3 . 1 . . . A 109 THR CB . 19870 1 1086 . 1 1 109 109 THR CG2 C 13 21.538 0.3 . 1 . . . A 109 THR CG2 . 19870 1 1087 . 1 1 109 109 THR N N 15 122.592 0.3 . 1 . . . A 109 THR N . 19870 1 1088 . 1 1 110 110 VAL H H 1 8.831 0.020 . 1 . . . A 110 VAL H . 19870 1 1089 . 1 1 110 110 VAL HA H 1 4.846 0.020 . 1 . . . A 110 VAL HA . 19870 1 1090 . 1 1 110 110 VAL HB H 1 2.010 0.020 . 1 . . . A 110 VAL HB . 19870 1 1091 . 1 1 110 110 VAL HG11 H 1 0.768 0.020 . 2 . . . A 110 VAL HG11 . 19870 1 1092 . 1 1 110 110 VAL HG12 H 1 0.768 0.020 . 2 . . . A 110 VAL HG12 . 19870 1 1093 . 1 1 110 110 VAL HG13 H 1 0.768 0.020 . 2 . . . A 110 VAL HG13 . 19870 1 1094 . 1 1 110 110 VAL HG21 H 1 0.820 0.020 . 2 . . . A 110 VAL HG21 . 19870 1 1095 . 1 1 110 110 VAL HG22 H 1 0.820 0.020 . 2 . . . A 110 VAL HG22 . 19870 1 1096 . 1 1 110 110 VAL HG23 H 1 0.820 0.020 . 2 . . . A 110 VAL HG23 . 19870 1 1097 . 1 1 110 110 VAL C C 13 175.487 0.3 . 1 . . . A 110 VAL C . 19870 1 1098 . 1 1 110 110 VAL CA C 13 60.731 0.3 . 1 . . . A 110 VAL CA . 19870 1 1099 . 1 1 110 110 VAL CB C 13 31.824 0.3 . 1 . . . A 110 VAL CB . 19870 1 1100 . 1 1 110 110 VAL CG1 C 13 21.200 0.3 . 1 . . . A 110 VAL CG1 . 19870 1 1101 . 1 1 110 110 VAL CG2 C 13 21.000 0.3 . 1 . . . A 110 VAL CG2 . 19870 1 1102 . 1 1 110 110 VAL N N 15 126.117 0.3 . 1 . . . A 110 VAL N . 19870 1 1103 . 1 1 111 111 LEU H H 1 8.120 0.020 . 1 . . . A 111 LEU H . 19870 1 1104 . 1 1 111 111 LEU HA H 1 4.022 0.020 . 1 . . . A 111 LEU HA . 19870 1 1105 . 1 1 111 111 LEU HB2 H 1 1.510 0.020 . 2 . . . A 111 LEU HB2 . 19870 1 1106 . 1 1 111 111 LEU HB3 H 1 1.380 0.020 . 2 . . . A 111 LEU HB3 . 19870 1 1107 . 1 1 111 111 LEU HG H 1 1.328 0.020 . 1 . . . A 111 LEU HG . 19870 1 1108 . 1 1 111 111 LEU HD11 H 1 0.769 0.020 . 2 . . . A 111 LEU HD11 . 19870 1 1109 . 1 1 111 111 LEU HD12 H 1 0.769 0.020 . 2 . . . A 111 LEU HD12 . 19870 1 1110 . 1 1 111 111 LEU HD13 H 1 0.769 0.020 . 2 . . . A 111 LEU HD13 . 19870 1 1111 . 1 1 111 111 LEU HD21 H 1 0.776 0.020 . 2 . . . A 111 LEU HD21 . 19870 1 1112 . 1 1 111 111 LEU HD22 H 1 0.776 0.020 . 2 . . . A 111 LEU HD22 . 19870 1 1113 . 1 1 111 111 LEU HD23 H 1 0.776 0.020 . 2 . . . A 111 LEU HD23 . 19870 1 1114 . 1 1 111 111 LEU C C 13 181.400 0.3 . 1 . . . A 111 LEU C . 19870 1 1115 . 1 1 111 111 LEU CA C 13 56.900 0.3 . 1 . . . A 111 LEU CA . 19870 1 1116 . 1 1 111 111 LEU CB C 13 43.900 0.3 . 1 . . . A 111 LEU CB . 19870 1 1117 . 1 1 111 111 LEU CG C 13 27.300 0.3 . 1 . . . A 111 LEU CG . 19870 1 1118 . 1 1 111 111 LEU CD1 C 13 24.697 0.3 . 1 . . . A 111 LEU CD1 . 19870 1 1119 . 1 1 111 111 LEU CD2 C 13 22.900 0.3 . 1 . . . A 111 LEU CD2 . 19870 1 1120 . 1 1 111 111 LEU N N 15 134.126 0.3 . 1 . . . A 111 LEU N . 19870 1 stop_ save_