data_16311 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16311 _Entry.Title ; Solution structure of the complex of VEK-30 and plasminogen kringle 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-21 _Entry.Accession_date 2009-05-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Min Wang . . . 16311 2 Jaroslav Zajicek . . . 16311 3 Mary Prorok . . . 16311 4 Francis Castellin . J. . 16311 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 . 'not applicable' 'not applicable' . 16311 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein/peptide . 16311 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16311 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 523 16311 '15N chemical shifts' 128 16311 '1H chemical shifts' 815 16311 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 3 . . 2010-05-28 2009-05-21 update BMRB 'edit entity/assembly name' 16311 2 . . 2010-03-05 2009-05-21 update BMRB 'completed entry citation' 16311 1 . . 2009-10-14 2009-05-21 original BMRB 'original release' 16311 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KJ4 'BMRB Entry Tracking System' 16311 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16311 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19800007 _Citation.Full_citation . _Citation.Title 'Solution structure of the complex of VEK-30 and plasminogen kringle 2.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full 'Journal of structural biology' _Citation.Journal_volume 169 _Citation.Journal_issue 3 _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 349 _Citation.Page_last 359 _Citation.Year 2010 _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 Min Wang . . . 16311 1 2 Jaroslav Zajicek . . . 16311 1 3 James Geiger . H. . 16311 1 4 Mary Prorok . . . 16311 1 5 Francis Castellino . J. . 16311 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16311 _Assembly.ID 1 _Assembly.Name 'VEK-30/plasminogen kringle 2 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'plasminogen kringle 2' 1 $entity_1 A . yes native no no . . . 16311 1 2 VEK-30 2 $entity_2 B . yes native no no . . . 16311 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 . 1 CYS 8 8 SG . 1 . 1 CYS 85 85 SG . . . . . . . . . . 16311 1 2 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 68 68 SG . . . . . . . . . . 16311 1 3 disulfide single . 1 . 1 CYS 57 57 SG . 1 . 1 CYS 80 80 SG . . . . . . . . . . 16311 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 16311 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'plasminogen kringle 2' _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 ; YVEFSEECMHGSGENYDGKI SKTMSGLECQAWDSQSPHAH GYIPSKFPNKNLKKNYCRNP DRDLRPWCFTTDPNKRWEYC DIPRCAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -7 TYR -6 VAL -5 GLU -4 PHE -3 SER -2 GLU -1 GLU 1 CYS 2 MET 3 HIS ...... 78 CYS 79 ALA 80 ALA ; _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 87 _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 10166.405 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1I5K . "Structure And Binding Determinants Of The Recombinant Kringle-2 Domain Of Human Plasminogen To An Internal Peptide From A Group" . . . . . 96.55 84 100.00 100.00 5.97e-56 . . . . 16311 1 2 no PDB 2KJ4 . "Solution Structure Of The Complex Of Vek-30 And Plasminogen Kringle 2" . . . . . 100.00 87 100.00 100.00 1.97e-58 . . . . 16311 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 -7 TYR . 16311 1 2 -6 VAL . 16311 1 3 -5 GLU . 16311 1 4 -4 PHE . 16311 1 5 -3 SER . 16311 1 6 -2 GLU . 16311 1 7 -1 GLU . 16311 1 8 1 CYS . 16311 1 9 2 MET . 16311 1 10 3 HIS . 16311 1 11 4 GLY . 16311 1 12 5 SER . 16311 1 13 6 GLY . 16311 1 14 7 GLU . 16311 1 15 8 ASN . 16311 1 16 9 TYR . 16311 1 17 10 ASP . 16311 1 18 11 GLY . 16311 1 19 12 LYS . 16311 1 20 13 ILE . 16311 1 21 14 SER . 16311 1 22 15 LYS . 16311 1 23 16 THR . 16311 1 24 17 MET . 16311 1 25 18 SER . 16311 1 26 19 GLY . 16311 1 27 20 LEU . 16311 1 28 21 GLU . 16311 1 29 22 CYS . 16311 1 30 23 GLN . 16311 1 31 24 ALA . 16311 1 32 25 TRP . 16311 1 33 26 ASP . 16311 1 34 27 SER . 16311 1 35 28 GLN . 16311 1 36 29 SER . 16311 1 37 30 PRO . 16311 1 38 31 HIS . 16311 1 39 32 ALA . 16311 1 40 33 HIS . 16311 1 41 34 GLY . 16311 1 42 35 TYR . 16311 1 43 36 ILE . 16311 1 44 37 PRO . 16311 1 45 38 SER . 16311 1 46 39 LYS . 16311 1 47 40 PHE . 16311 1 48 41 PRO . 16311 1 49 42 ASN . 16311 1 50 43 LYS . 16311 1 51 44 ASN . 16311 1 52 45 LEU . 16311 1 53 46 LYS . 16311 1 54 47 LYS . 16311 1 55 48 ASN . 16311 1 56 49 TYR . 16311 1 57 50 CYS . 16311 1 58 51 ARG . 16311 1 59 52 ASN . 16311 1 60 53 PRO . 16311 1 61 54 ASP . 16311 1 62 55 ARG . 16311 1 63 56 ASP . 16311 1 64 57 LEU . 16311 1 65 58 ARG . 16311 1 66 59 PRO . 16311 1 67 60 TRP . 16311 1 68 61 CYS . 16311 1 69 62 PHE . 16311 1 70 63 THR . 16311 1 71 64 THR . 16311 1 72 65 ASP . 16311 1 73 66 PRO . 16311 1 74 67 ASN . 16311 1 75 68 LYS . 16311 1 76 69 ARG . 16311 1 77 70 TRP . 16311 1 78 71 GLU . 16311 1 79 72 TYR . 16311 1 80 73 CYS . 16311 1 81 74 ASP . 16311 1 82 75 ILE . 16311 1 83 76 PRO . 16311 1 84 77 ARG . 16311 1 85 78 CYS . 16311 1 86 79 ALA . 16311 1 87 80 ALA . 16311 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 . TYR 1 1 16311 1 . VAL 2 2 16311 1 . GLU 3 3 16311 1 . PHE 4 4 16311 1 . SER 5 5 16311 1 . GLU 6 6 16311 1 . GLU 7 7 16311 1 . CYS 8 8 16311 1 . MET 9 9 16311 1 . HIS 10 10 16311 1 . GLY 11 11 16311 1 . SER 12 12 16311 1 . GLY 13 13 16311 1 . GLU 14 14 16311 1 . ASN 15 15 16311 1 . TYR 16 16 16311 1 . ASP 17 17 16311 1 . GLY 18 18 16311 1 . LYS 19 19 16311 1 . ILE 20 20 16311 1 . SER 21 21 16311 1 . LYS 22 22 16311 1 . THR 23 23 16311 1 . MET 24 24 16311 1 . SER 25 25 16311 1 . GLY 26 26 16311 1 . LEU 27 27 16311 1 . GLU 28 28 16311 1 . CYS 29 29 16311 1 . GLN 30 30 16311 1 . ALA 31 31 16311 1 . TRP 32 32 16311 1 . ASP 33 33 16311 1 . SER 34 34 16311 1 . GLN 35 35 16311 1 . SER 36 36 16311 1 . PRO 37 37 16311 1 . HIS 38 38 16311 1 . ALA 39 39 16311 1 . HIS 40 40 16311 1 . GLY 41 41 16311 1 . TYR 42 42 16311 1 . ILE 43 43 16311 1 . PRO 44 44 16311 1 . SER 45 45 16311 1 . LYS 46 46 16311 1 . PHE 47 47 16311 1 . PRO 48 48 16311 1 . ASN 49 49 16311 1 . LYS 50 50 16311 1 . ASN 51 51 16311 1 . LEU 52 52 16311 1 . LYS 53 53 16311 1 . LYS 54 54 16311 1 . ASN 55 55 16311 1 . TYR 56 56 16311 1 . CYS 57 57 16311 1 . ARG 58 58 16311 1 . ASN 59 59 16311 1 . PRO 60 60 16311 1 . ASP 61 61 16311 1 . ARG 62 62 16311 1 . ASP 63 63 16311 1 . LEU 64 64 16311 1 . ARG 65 65 16311 1 . PRO 66 66 16311 1 . TRP 67 67 16311 1 . CYS 68 68 16311 1 . PHE 69 69 16311 1 . THR 70 70 16311 1 . THR 71 71 16311 1 . ASP 72 72 16311 1 . PRO 73 73 16311 1 . ASN 74 74 16311 1 . LYS 75 75 16311 1 . ARG 76 76 16311 1 . TRP 77 77 16311 1 . GLU 78 78 16311 1 . TYR 79 79 16311 1 . CYS 80 80 16311 1 . ASP 81 81 16311 1 . ILE 82 82 16311 1 . PRO 83 83 16311 1 . ARG 84 84 16311 1 . CYS 85 85 16311 1 . ALA 86 86 16311 1 . ALA 87 87 16311 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 16311 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name VEK-30 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSVEKLTADAELQRLKNERH EEAELERLKSEY ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; -2 GLY -1 SER 1 VAL 2 GLU 3 LYS ...... 28 SER 29 GLU 30 TYR ; _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 32 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3779.188 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1I5K . "Structure And Binding Determinants Of The Recombinant Kringle-2 Domain Of Human Plasminogen To An Internal Peptide From A Group" . . . . . 93.75 30 100.00 100.00 1.03e-09 . . . . 16311 2 2 no PDB 2DOI . "The X-Ray Crystallographic Structure Of The Angiogenesis Inhibitor, Angiostatin, Bound To A Peptide From The Group A Streptococ" . . . . . 93.75 30 100.00 100.00 1.03e-09 . . . . 16311 2 3 no PDB 2KJ4 . "Solution Structure Of The Complex Of Vek-30 And Plasminogen Kringle 2" . . . . . 96.88 32 100.00 100.00 2.59e-10 . . . . 16311 2 4 no EMBL CAA80222 . "PAM protein [Streptococcus pyogenes]" . . . . . 90.63 388 100.00 100.00 1.13e-07 . . . . 16311 2 5 no GB AAN64682 . "M protein [Streptococcus pyogenes]" . . . . . 59.38 303 100.00 100.00 3.99e-02 . . . . 16311 2 6 no GB AAQ64516 . "M protein [Streptococcus pyogenes]" . . . . . 90.63 388 100.00 100.00 1.12e-07 . . . . 16311 2 7 no GB AAQ64518 . "M protein [Streptococcus pyogenes]" . . . . . 90.63 388 100.00 100.00 1.12e-07 . . . . 16311 2 8 no GB AAQ64521 . "M protein [Streptococcus pyogenes]" . . . . . 90.63 388 100.00 100.00 1.12e-07 . . . . 16311 2 9 no GB AEQ25265 . "plasminogen-binding group A steptococcal M-like protein PAM [Streptococcus pyogenes Alab49]" . . . . . 90.63 427 100.00 100.00 1.29e-07 . . . . 16311 2 10 no REF WP_014635750 . "plasminogen-binding group A steptococcal M-like protein PAM [Streptococcus pyogenes]" . . . . . 90.63 427 100.00 100.00 1.29e-07 . . . . 16311 2 11 no REF WP_023609730 . "putative plasminogen-binding group A steptococcal M-like protein PAM [Streptococcus pyogenes]" . . . . . 90.63 262 100.00 100.00 6.00e-08 . . . . 16311 2 12 no REF YP_006072819 . "plasminogen-binding group A steptococcal M-like protein PAM [Streptococcus pyogenes Alab49]" . . . . . 90.63 427 100.00 100.00 1.29e-07 . . . . 16311 2 13 no SP P49054 . "RecName: Full=Plasminogen-binding group A streptococcal M-like protein PAM; Flags: Precursor, partial [Streptococcus pyogenes]" . . . . . 90.63 388 100.00 100.00 1.13e-07 . . . . 16311 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 GLY . 16311 2 2 -1 SER . 16311 2 3 1 VAL . 16311 2 4 2 GLU . 16311 2 5 3 LYS . 16311 2 6 4 LEU . 16311 2 7 5 THR . 16311 2 8 6 ALA . 16311 2 9 7 ASP . 16311 2 10 8 ALA . 16311 2 11 9 GLU . 16311 2 12 10 LEU . 16311 2 13 11 GLN . 16311 2 14 12 ARG . 16311 2 15 13 LEU . 16311 2 16 14 LYS . 16311 2 17 15 ASN . 16311 2 18 16 GLU . 16311 2 19 17 ARG . 16311 2 20 18 HIS . 16311 2 21 19 GLU . 16311 2 22 20 GLU . 16311 2 23 21 ALA . 16311 2 24 22 GLU . 16311 2 25 23 LEU . 16311 2 26 24 GLU . 16311 2 27 25 ARG . 16311 2 28 26 LEU . 16311 2 29 27 LYS . 16311 2 30 28 SER . 16311 2 31 29 GLU . 16311 2 32 30 TYR . 16311 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16311 2 . SER 2 2 16311 2 . VAL 3 3 16311 2 . GLU 4 4 16311 2 . LYS 5 5 16311 2 . LEU 6 6 16311 2 . THR 7 7 16311 2 . ALA 8 8 16311 2 . ASP 9 9 16311 2 . ALA 10 10 16311 2 . GLU 11 11 16311 2 . LEU 12 12 16311 2 . GLN 13 13 16311 2 . ARG 14 14 16311 2 . LEU 15 15 16311 2 . LYS 16 16 16311 2 . ASN 17 17 16311 2 . GLU 18 18 16311 2 . ARG 19 19 16311 2 . HIS 20 20 16311 2 . GLU 21 21 16311 2 . GLU 22 22 16311 2 . ALA 23 23 16311 2 . GLU 24 24 16311 2 . LEU 25 25 16311 2 . GLU 26 26 16311 2 . ARG 27 27 16311 2 . LEU 28 28 16311 2 . LYS 29 29 16311 2 . SER 30 30 16311 2 . GLU 31 31 16311 2 . TYR 32 32 16311 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16311 _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_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16311 1 2 2 $entity_2 . . organism . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . . . . . . . . . 16311 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 16311 _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_1 . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris . . . . . . . . . . . . . . . . pPIC9K . . . . . . 16311 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PET-15b . . . . . . 16311 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16311 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM 0.1 . . . 16311 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 1 . . mM 0.1 . . . 16311 1 3 HEPES '[U-100% 2H]' . . . . . . 50 . . mM . . . . 16311 1 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16311 1 5 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 16311 1 6 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 16311 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16311 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16311 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16311 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 16311 2 2 entity_2 [U-15N] . . 2 $entity_2 . . 1 . . mM . . . . 16311 2 3 HEPES '[U-100% 2H]' . . . . . . 50 . . mM . . . . 16311 2 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 16311 2 5 'sodium azide' 'natural abundance' . . . . . . 3 . . mM . . . . 16311 2 6 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 16311 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16311 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16311 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16311 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 16311 1 pH 7.0 0.1 pH 16311 1 pressure 1 . atm 16311 1 temperature 298 0.2 K 16311 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16311 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16311 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16311 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16311 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16311 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16311 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16311 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16311 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16311 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16311 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 16311 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16311 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 16311 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16311 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16311 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16311 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16311 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16311 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16311 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16311 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16311 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16311 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16311 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 16311 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16311 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16311 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16311 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 16311 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16311 1 2 '3D 1H-15N NOESY' . . . 16311 1 3 '3D 1H-15N TOCSY' . . . 16311 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 VAL H H 1 7.944 0.02 . 1 . . . . 2 VAL HN . 16311 1 2 . 1 1 2 2 VAL HA H 1 4.035 0.02 . 1 . . . . 2 VAL HA . 16311 1 3 . 1 1 2 2 VAL HB H 1 1.899 0.02 . 1 . . . . 2 VAL HB . 16311 1 4 . 1 1 2 2 VAL HG11 H 1 0.811 0.02 . 2 . . . . 2 VAL HG1 . 16311 1 5 . 1 1 2 2 VAL HG12 H 1 0.811 0.02 . 2 . . . . 2 VAL HG1 . 16311 1 6 . 1 1 2 2 VAL HG13 H 1 0.811 0.02 . 2 . . . . 2 VAL HG1 . 16311 1 7 . 1 1 2 2 VAL HG21 H 1 0.861 0.02 . 2 . . . . 2 VAL HG2 . 16311 1 8 . 1 1 2 2 VAL HG22 H 1 0.861 0.02 . 2 . . . . 2 VAL HG2 . 16311 1 9 . 1 1 2 2 VAL HG23 H 1 0.861 0.02 . 2 . . . . 2 VAL HG2 . 16311 1 10 . 1 1 2 2 VAL C C 13 174.807 0.2 . 1 . . . . 2 VAL C . 16311 1 11 . 1 1 2 2 VAL CA C 13 61.947 0.2 . 1 . . . . 2 VAL CA . 16311 1 12 . 1 1 2 2 VAL CB C 13 33.175 0.2 . 1 . . . . 2 VAL CB . 16311 1 13 . 1 1 2 2 VAL CG1 C 13 21.240 0.2 . 2 . . . . 2 VAL CG1 . 16311 1 14 . 1 1 2 2 VAL CG2 C 13 21.612 0.2 . 2 . . . . 2 VAL CG2 . 16311 1 15 . 1 1 2 2 VAL N N 15 123.960 0.2 . 1 . . . . 2 VAL N . 16311 1 16 . 1 1 3 3 GLU H H 1 8.465 0.02 . 1 . . . . 3 GLU HN . 16311 1 17 . 1 1 3 3 GLU HA H 1 4.168 0.02 . 1 . . . . 3 GLU HA . 16311 1 18 . 1 1 3 3 GLU HB2 H 1 1.865 0.02 . 2 . . . . 3 GLU HB1 . 16311 1 19 . 1 1 3 3 GLU HB3 H 1 1.907 0.02 . 2 . . . . 3 GLU HB2 . 16311 1 20 . 1 1 3 3 GLU HG2 H 1 2.170 0.02 . 2 . . . . 3 GLU HG1 . 16311 1 21 . 1 1 3 3 GLU HG3 H 1 2.170 0.02 . 2 . . . . 3 GLU HG2 . 16311 1 22 . 1 1 3 3 GLU C C 13 175.888 0.2 . 1 . . . . 3 GLU C . 16311 1 23 . 1 1 3 3 GLU CA C 13 56.487 0.2 . 1 . . . . 3 GLU CA . 16311 1 24 . 1 1 3 3 GLU CB C 13 30.349 0.2 . 1 . . . . 3 GLU CB . 16311 1 25 . 1 1 3 3 GLU CG C 13 36.099 0.2 . 1 . . . . 3 GLU CG . 16311 1 26 . 1 1 3 3 GLU N N 15 125.549 0.2 . 1 . . . . 3 GLU N . 16311 1 27 . 1 1 4 4 PHE H H 1 8.330 0.02 . 1 . . . . 4 PHE HN . 16311 1 28 . 1 1 4 4 PHE HA H 1 4.651 0.02 . 1 . . . . 4 PHE HA . 16311 1 29 . 1 1 4 4 PHE HB2 H 1 3.057 0.02 . 2 . . . . 4 PHE HB1 . 16311 1 30 . 1 1 4 4 PHE HB3 H 1 3.107 0.02 . 2 . . . . 4 PHE HB2 . 16311 1 31 . 1 1 4 4 PHE HD1 H 1 7.281 0.02 . 3 . . . . 4 PHE HD1 . 16311 1 32 . 1 1 4 4 PHE HD2 H 1 7.281 0.02 . 3 . . . . 4 PHE HD2 . 16311 1 33 . 1 1 4 4 PHE HE1 H 1 7.306 0.02 . 3 . . . . 4 PHE HE1 . 16311 1 34 . 1 1 4 4 PHE HE2 H 1 7.306 0.02 . 3 . . . . 4 PHE HE2 . 16311 1 35 . 1 1 4 4 PHE HZ H 1 7.324 0.02 . 1 . . . . 4 PHE HZ . 16311 1 36 . 1 1 4 4 PHE C C 13 175.550 0.2 . 1 . . . . 4 PHE C . 16311 1 37 . 1 1 4 4 PHE CA C 13 57.827 0.2 . 1 . . . . 4 PHE CA . 16311 1 38 . 1 1 4 4 PHE CB C 13 39.623 0.2 . 1 . . . . 4 PHE CB . 16311 1 39 . 1 1 4 4 PHE CD1 C 13 131.980 0.2 . 3 . . . . 4 PHE CD1 . 16311 1 40 . 1 1 4 4 PHE CD2 C 13 131.980 0.2 . 3 . . . . 4 PHE CD2 . 16311 1 41 . 1 1 4 4 PHE CE1 C 13 129.997 0.2 . 3 . . . . 4 PHE CE1 . 16311 1 42 . 1 1 4 4 PHE CE2 C 13 129.997 0.2 . 3 . . . . 4 PHE CE2 . 16311 1 43 . 1 1 4 4 PHE CZ C 13 129.462 0.2 . 1 . . . . 4 PHE CZ . 16311 1 44 . 1 1 4 4 PHE N N 15 121.869 0.2 . 1 . . . . 4 PHE N . 16311 1 45 . 1 1 5 5 SER H H 1 8.177 0.02 . 1 . . . . 5 SER HN . 16311 1 46 . 1 1 5 5 SER HA H 1 4.395 0.02 . 1 . . . . 5 SER HA . 16311 1 47 . 1 1 5 5 SER HB2 H 1 3.765 0.02 . 2 . . . . 5 SER HB1 . 16311 1 48 . 1 1 5 5 SER HB3 H 1 3.798 0.02 . 2 . . . . 5 SER HB2 . 16311 1 49 . 1 1 5 5 SER C C 13 173.996 0.2 . 1 . . . . 5 SER C . 16311 1 50 . 1 1 5 5 SER CA C 13 58.045 0.2 . 1 . . . . 5 SER CA . 16311 1 51 . 1 1 5 5 SER CB C 13 64.050 0.2 . 1 . . . . 5 SER CB . 16311 1 52 . 1 1 5 5 SER N N 15 117.865 0.2 . 1 . . . . 5 SER N . 16311 1 53 . 1 1 6 6 GLU H H 1 8.425 0.02 . 1 . . . . 6 GLU HN . 16311 1 54 . 1 1 6 6 GLU HA H 1 4.290 0.02 . 1 . . . . 6 GLU HA . 16311 1 55 . 1 1 6 6 GLU HB2 H 1 2.151 0.02 . 2 . . . . 6 GLU HB1 . 16311 1 56 . 1 1 6 6 GLU HB3 H 1 1.962 0.02 . 2 . . . . 6 GLU HB2 . 16311 1 57 . 1 1 6 6 GLU HG2 H 1 2.335 0.02 . 2 . . . . 6 GLU HG1 . 16311 1 58 . 1 1 6 6 GLU HG3 H 1 2.335 0.02 . 2 . . . . 6 GLU HG2 . 16311 1 59 . 1 1 6 6 GLU C C 13 176.699 0.2 . 1 . . . . 6 GLU C . 16311 1 60 . 1 1 6 6 GLU CA C 13 56.479 0.2 . 1 . . . . 6 GLU CA . 16311 1 61 . 1 1 6 6 GLU CB C 13 30.715 0.2 . 1 . . . . 6 GLU CB . 16311 1 62 . 1 1 6 6 GLU CG C 13 36.588 0.2 . 1 . . . . 6 GLU CG . 16311 1 63 . 1 1 6 6 GLU N N 15 122.791 0.2 . 1 . . . . 6 GLU N . 16311 1 64 . 1 1 7 7 GLU H H 1 8.421 0.02 . 1 . . . . 7 GLU HN . 16311 1 65 . 1 1 7 7 GLU HA H 1 4.742 0.02 . 1 . . . . 7 GLU HA . 16311 1 66 . 1 1 7 7 GLU HB2 H 1 2.189 0.02 . 2 . . . . 7 GLU HB1 . 16311 1 67 . 1 1 7 7 GLU HB3 H 1 1.795 0.02 . 2 . . . . 7 GLU HB2 . 16311 1 68 . 1 1 7 7 GLU HG2 H 1 2.287 0.02 . 2 . . . . 7 GLU HG1 . 16311 1 69 . 1 1 7 7 GLU HG3 H 1 2.287 0.02 . 2 . . . . 7 GLU HG2 . 16311 1 70 . 1 1 7 7 GLU C C 13 175.145 0.2 . 1 . . . . 7 GLU C . 16311 1 71 . 1 1 7 7 GLU CA C 13 55.617 0.2 . 1 . . . . 7 GLU CA . 16311 1 72 . 1 1 7 7 GLU CB C 13 29.095 0.2 . 1 . . . . 7 GLU CB . 16311 1 73 . 1 1 7 7 GLU CG C 13 35.337 0.2 . 1 . . . . 7 GLU CG . 16311 1 74 . 1 1 7 7 GLU N N 15 122.775 0.2 . 1 . . . . 7 GLU N . 16311 1 75 . 1 1 8 8 CYS H H 1 7.917 0.02 . 1 . . . . 8 CYS HN . 16311 1 76 . 1 1 8 8 CYS HA H 1 4.969 0.02 . 1 . . . . 8 CYS HA . 16311 1 77 . 1 1 8 8 CYS HB2 H 1 3.071 0.02 . 2 . . . . 8 CYS HB1 . 16311 1 78 . 1 1 8 8 CYS HB3 H 1 2.923 0.02 . 2 . . . . 8 CYS HB2 . 16311 1 79 . 1 1 8 8 CYS C C 13 171.610 0.2 . 1 . . . . 8 CYS C . 16311 1 80 . 1 1 8 8 CYS CA C 13 53.880 0.2 . 1 . . . . 8 CYS CA . 16311 1 81 . 1 1 8 8 CYS CB C 13 43.144 0.2 . 1 . . . . 8 CYS CB . 16311 1 82 . 1 1 8 8 CYS N N 15 115.067 0.2 . 1 . . . . 8 CYS N . 16311 1 83 . 1 1 9 9 MET H H 1 9.379 0.02 . 1 . . . . 9 MET HN . 16311 1 84 . 1 1 9 9 MET HA H 1 5.049 0.02 . 1 . . . . 9 MET HA . 16311 1 85 . 1 1 9 9 MET HB2 H 1 1.916 0.02 . 2 . . . . 9 MET HB1 . 16311 1 86 . 1 1 9 9 MET HB3 H 1 1.538 0.02 . 2 . . . . 9 MET HB2 . 16311 1 87 . 1 1 9 9 MET HG2 H 1 2.287 0.02 . 2 . . . . 9 MET HG1 . 16311 1 88 . 1 1 9 9 MET HG3 H 1 2.089 0.02 . 2 . . . . 9 MET HG2 . 16311 1 89 . 1 1 9 9 MET C C 13 174.038 0.2 . 1 . . . . 9 MET C . 16311 1 90 . 1 1 9 9 MET CA C 13 53.312 0.2 . 1 . . . . 9 MET CA . 16311 1 91 . 1 1 9 9 MET CB C 13 36.165 0.2 . 1 . . . . 9 MET CB . 16311 1 92 . 1 1 9 9 MET CG C 13 31.297 0.2 . 1 . . . . 9 MET CG . 16311 1 93 . 1 1 9 9 MET N N 15 117.763 0.2 . 1 . . . . 9 MET N . 16311 1 94 . 1 1 10 10 HIS H H 1 9.610 0.02 . 1 . . . . 10 HIS HN . 16311 1 95 . 1 1 10 10 HIS HA H 1 4.877 0.02 . 1 . . . . 10 HIS HA . 16311 1 96 . 1 1 10 10 HIS HB2 H 1 3.082 0.02 . 2 . . . . 10 HIS HB1 . 16311 1 97 . 1 1 10 10 HIS HB3 H 1 3.196 0.02 . 2 . . . . 10 HIS HB2 . 16311 1 98 . 1 1 10 10 HIS HD1 H 1 7.298 0.02 . 1 . . . . 10 HIS HD1 . 16311 1 99 . 1 1 10 10 HIS HD2 H 1 6.855 0.02 . 1 . . . . 10 HIS HD2 . 16311 1 100 . 1 1 10 10 HIS HE1 H 1 8.329 0.02 . 1 . . . . 10 HIS HE1 . 16311 1 101 . 1 1 10 10 HIS HE2 H 1 9.569 0.02 . 1 . . . . 10 HIS HE2 . 16311 1 102 . 1 1 10 10 HIS C C 13 176.698 0.2 . 1 . . . . 10 HIS C . 16311 1 103 . 1 1 10 10 HIS CA C 13 55.016 0.2 . 1 . . . . 10 HIS CA . 16311 1 104 . 1 1 10 10 HIS CB C 13 31.116 0.2 . 1 . . . . 10 HIS CB . 16311 1 105 . 1 1 10 10 HIS CD2 C 13 118.501 0.2 . 1 . . . . 10 HIS CD2 . 16311 1 106 . 1 1 10 10 HIS CE1 C 13 139.100 0.2 . 1 . . . . 10 HIS CE1 . 16311 1 107 . 1 1 10 10 HIS N N 15 124.293 0.2 . 1 . . . . 10 HIS N . 16311 1 108 . 1 1 11 11 GLY H H 1 9.249 0.02 . 1 . . . . 11 GLY HN . 16311 1 109 . 1 1 11 11 GLY HA2 H 1 4.104 0.02 . 2 . . . . 11 GLY HA2 . 16311 1 110 . 1 1 11 11 GLY HA3 H 1 3.843 0.02 . 2 . . . . 11 GLY HA3 . 16311 1 111 . 1 1 11 11 GLY C C 13 174.559 0.2 . 1 . . . . 11 GLY C . 16311 1 112 . 1 1 11 11 GLY CA C 13 47.652 0.2 . 1 . . . . 11 GLY CA . 16311 1 113 . 1 1 11 11 GLY N N 15 115.224 0.2 . 1 . . . . 11 GLY N . 16311 1 114 . 1 1 12 12 SER H H 1 8.999 0.02 . 1 . . . . 12 SER HN . 16311 1 115 . 1 1 12 12 SER HA H 1 4.653 0.02 . 1 . . . . 12 SER HA . 16311 1 116 . 1 1 12 12 SER HB2 H 1 3.928 0.02 . 2 . . . . 12 SER HB1 . 16311 1 117 . 1 1 12 12 SER HB3 H 1 3.928 0.02 . 2 . . . . 12 SER HB2 . 16311 1 118 . 1 1 12 12 SER C C 13 176.178 0.2 . 1 . . . . 12 SER C . 16311 1 119 . 1 1 12 12 SER CA C 13 57.731 0.2 . 1 . . . . 12 SER CA . 16311 1 120 . 1 1 12 12 SER CB C 13 63.439 0.2 . 1 . . . . 12 SER CB . 16311 1 121 . 1 1 12 12 SER N N 15 121.965 0.2 . 1 . . . . 12 SER N . 16311 1 122 . 1 1 13 13 GLY H H 1 9.022 0.02 . 1 . . . . 13 GLY HN . 16311 1 123 . 1 1 13 13 GLY HA2 H 1 4.052 0.02 . 2 . . . . 13 GLY HA2 . 16311 1 124 . 1 1 13 13 GLY HA3 H 1 3.957 0.02 . 2 . . . . 13 GLY HA3 . 16311 1 125 . 1 1 13 13 GLY C C 13 176.178 0.2 . 1 . . . . 13 GLY C . 16311 1 126 . 1 1 13 13 GLY CA C 13 47.972 0.2 . 1 . . . . 13 GLY CA . 16311 1 127 . 1 1 13 13 GLY N N 15 109.294 0.2 . 1 . . . . 13 GLY N . 16311 1 128 . 1 1 14 14 GLU H H 1 9.552 0.02 . 1 . . . . 14 GLU HN . 16311 1 129 . 1 1 14 14 GLU HA H 1 4.347 0.02 . 1 . . . . 14 GLU HA . 16311 1 130 . 1 1 14 14 GLU HB2 H 1 2.066 0.02 . 2 . . . . 14 GLU HB1 . 16311 1 131 . 1 1 14 14 GLU HB3 H 1 2.066 0.02 . 2 . . . . 14 GLU HB2 . 16311 1 132 . 1 1 14 14 GLU HG2 H 1 2.349 0.02 . 2 . . . . 14 GLU HG1 . 16311 1 133 . 1 1 14 14 GLU HG3 H 1 2.349 0.02 . 2 . . . . 14 GLU HG2 . 16311 1 134 . 1 1 14 14 GLU C C 13 177.045 0.2 . 1 . . . . 14 GLU C . 16311 1 135 . 1 1 14 14 GLU CA C 13 60.282 0.2 . 1 . . . . 14 GLU CA . 16311 1 136 . 1 1 14 14 GLU CB C 13 29.145 0.2 . 1 . . . . 14 GLU CB . 16311 1 137 . 1 1 14 14 GLU CG C 13 37.015 0.2 . 1 . . . . 14 GLU CG . 16311 1 138 . 1 1 14 14 GLU N N 15 123.736 0.2 . 1 . . . . 14 GLU N . 16311 1 139 . 1 1 15 15 ASN H H 1 8.425 0.02 . 1 . . . . 15 ASN HN . 16311 1 140 . 1 1 15 15 ASN HA H 1 5.030 0.02 . 1 . . . . 15 ASN HA . 16311 1 141 . 1 1 15 15 ASN HB2 H 1 2.975 0.02 . 2 . . . . 15 ASN HB1 . 16311 1 142 . 1 1 15 15 ASN HB3 H 1 2.785 0.02 . 2 . . . . 15 ASN HB2 . 16311 1 143 . 1 1 15 15 ASN HD21 H 1 7.673 0.02 . 2 . . . . 15 ASN HD21 . 16311 1 144 . 1 1 15 15 ASN C C 13 174.848 0.2 . 1 . . . . 15 ASN C . 16311 1 145 . 1 1 15 15 ASN CA C 13 51.725 0.2 . 1 . . . . 15 ASN CA . 16311 1 146 . 1 1 15 15 ASN CB C 13 38.404 0.2 . 1 . . . . 15 ASN CB . 16311 1 147 . 1 1 15 15 ASN N N 15 112.918 0.2 . 1 . . . . 15 ASN N . 16311 1 148 . 1 1 15 15 ASN ND2 N 15 113.291 0.2 . 1 . . . . 15 ASN ND2 . 16311 1 149 . 1 1 15 15 ASN HD22 H 1 6.905 0.2 . 1 . . . . 15 ASN HD22 . 16311 1 150 . 1 1 16 16 TYR H H 1 7.622 0.02 . 1 . . . . 16 TYR HN . 16311 1 151 . 1 1 16 16 TYR HA H 1 4.445 0.02 . 1 . . . . 16 TYR HA . 16311 1 152 . 1 1 16 16 TYR HB2 H 1 3.100 0.02 . 2 . . . . 16 TYR HB1 . 16311 1 153 . 1 1 16 16 TYR HB3 H 1 3.100 0.02 . 2 . . . . 16 TYR HB2 . 16311 1 154 . 1 1 16 16 TYR HD1 H 1 7.089 0.02 . 3 . . . . 16 TYR HD1 . 16311 1 155 . 1 1 16 16 TYR HD2 H 1 7.089 0.02 . 3 . . . . 16 TYR HD2 . 16311 1 156 . 1 1 16 16 TYR HE1 H 1 6.841 0.02 . 3 . . . . 16 TYR HE1 . 16311 1 157 . 1 1 16 16 TYR HE2 H 1 6.841 0.02 . 3 . . . . 16 TYR HE2 . 16311 1 158 . 1 1 16 16 TYR HH H 1 10.642 0.02 . 1 . . . . 16 TYR HH . 16311 1 159 . 1 1 16 16 TYR C C 13 175.773 0.2 . 1 . . . . 16 TYR C . 16311 1 160 . 1 1 16 16 TYR CA C 13 60.125 0.2 . 1 . . . . 16 TYR CA . 16311 1 161 . 1 1 16 16 TYR CB C 13 38.590 0.2 . 1 . . . . 16 TYR CB . 16311 1 162 . 1 1 16 16 TYR CD1 C 13 133.382 0.2 . 3 . . . . 16 TYR CD1 . 16311 1 163 . 1 1 16 16 TYR CD2 C 13 133.382 0.2 . 3 . . . . 16 TYR CD2 . 16311 1 164 . 1 1 16 16 TYR CE1 C 13 118.234 0.2 . 3 . . . . 16 TYR CE1 . 16311 1 165 . 1 1 16 16 TYR CE2 C 13 118.234 0.2 . 3 . . . . 16 TYR CE2 . 16311 1 166 . 1 1 16 16 TYR N N 15 121.437 0.2 . 1 . . . . 16 TYR N . 16311 1 167 . 1 1 17 17 ASP H H 1 8.722 0.02 . 1 . . . . 17 ASP HN . 16311 1 168 . 1 1 17 17 ASP HA H 1 4.599 0.02 . 1 . . . . 17 ASP HA . 16311 1 169 . 1 1 17 17 ASP HB2 H 1 2.329 0.02 . 2 . . . . 17 ASP HB1 . 16311 1 170 . 1 1 17 17 ASP HB3 H 1 2.329 0.02 . 2 . . . . 17 ASP HB2 . 16311 1 171 . 1 1 17 17 ASP C C 13 175.748 0.2 . 1 . . . . 17 ASP C . 16311 1 172 . 1 1 17 17 ASP CA C 13 52.327 0.2 . 1 . . . . 17 ASP CA . 16311 1 173 . 1 1 17 17 ASP CB C 13 42.265 0.2 . 1 . . . . 17 ASP CB . 16311 1 174 . 1 1 17 17 ASP N N 15 130.345 0.2 . 1 . . . . 17 ASP N . 16311 1 175 . 1 1 18 18 GLY H H 1 4.504 0.02 . 1 . . . . 18 GLY HN . 16311 1 176 . 1 1 18 18 GLY HA2 H 1 4.092 0.02 . 2 . . . . 18 GLY HA2 . 16311 1 177 . 1 1 18 18 GLY HA3 H 1 3.786 0.02 . 2 . . . . 18 GLY HA3 . 16311 1 178 . 1 1 18 18 GLY C C 13 174.732 0.2 . 1 . . . . 18 GLY C . 16311 1 179 . 1 1 18 18 GLY CA C 13 44.739 0.2 . 1 . . . . 18 GLY CA . 16311 1 180 . 1 1 18 18 GLY N N 15 104.445 0.2 . 1 . . . . 18 GLY N . 16311 1 181 . 1 1 19 19 LYS H H 1 9.272 0.02 . 1 . . . . 19 LYS HN . 16311 1 182 . 1 1 19 19 LYS HA H 1 3.248 0.02 . 1 . . . . 19 LYS HA . 16311 1 183 . 1 1 19 19 LYS HB2 H 1 1.639 0.02 . 2 . . . . 19 LYS HB1 . 16311 1 184 . 1 1 19 19 LYS HB3 H 1 1.639 0.02 . 2 . . . . 19 LYS HB2 . 16311 1 185 . 1 1 19 19 LYS HD2 H 1 1.570 0.02 . 2 . . . . 19 LYS HD1 . 16311 1 186 . 1 1 19 19 LYS HD3 H 1 1.570 0.02 . 2 . . . . 19 LYS HD2 . 16311 1 187 . 1 1 19 19 LYS HE2 H 1 2.940 0.02 . 2 . . . . 19 LYS HE1 . 16311 1 188 . 1 1 19 19 LYS HE3 H 1 2.940 0.02 . 2 . . . . 19 LYS HE2 . 16311 1 189 . 1 1 19 19 LYS HG2 H 1 1.040 0.02 . 2 . . . . 19 LYS HG1 . 16311 1 190 . 1 1 19 19 LYS HG3 H 1 1.284 0.02 . 2 . . . . 19 LYS HG2 . 16311 1 191 . 1 1 19 19 LYS C C 13 176.409 0.2 . 1 . . . . 19 LYS C . 16311 1 192 . 1 1 19 19 LYS CA C 13 55.454 0.2 . 1 . . . . 19 LYS CA . 16311 1 193 . 1 1 19 19 LYS CB C 13 32.499 0.2 . 1 . . . . 19 LYS CB . 16311 1 194 . 1 1 19 19 LYS CD C 13 29.560 0.2 . 1 . . . . 19 LYS CD . 16311 1 195 . 1 1 19 19 LYS CE C 13 42.114 0.2 . 1 . . . . 19 LYS CE . 16311 1 196 . 1 1 19 19 LYS CG C 13 25.100 0.2 . 1 . . . . 19 LYS CG . 16311 1 197 . 1 1 19 19 LYS N N 15 117.569 0.2 . 1 . . . . 19 LYS N . 16311 1 198 . 1 1 20 20 ILE H H 1 7.559 0.02 . 1 . . . . 20 ILE HN . 16311 1 199 . 1 1 20 20 ILE HA H 1 3.991 0.02 . 1 . . . . 20 ILE HA . 16311 1 200 . 1 1 20 20 ILE HB H 1 1.982 0.02 . 1 . . . . 20 ILE HB . 16311 1 201 . 1 1 20 20 ILE HD11 H 1 0.356 0.02 . 1 . . . . 20 ILE HD1 . 16311 1 202 . 1 1 20 20 ILE HD12 H 1 0.356 0.02 . 1 . . . . 20 ILE HD1 . 16311 1 203 . 1 1 20 20 ILE HD13 H 1 0.356 0.02 . 1 . . . . 20 ILE HD1 . 16311 1 204 . 1 1 20 20 ILE HG12 H 1 1.666 0.02 . 2 . . . . 20 ILE HG11 . 16311 1 205 . 1 1 20 20 ILE HG13 H 1 1.234 0.02 . 2 . . . . 20 ILE HG12 . 16311 1 206 . 1 1 20 20 ILE HG21 H 1 0.992 0.02 . 1 . . . . 20 ILE HG2 . 16311 1 207 . 1 1 20 20 ILE HG22 H 1 0.992 0.02 . 1 . . . . 20 ILE HG2 . 16311 1 208 . 1 1 20 20 ILE HG23 H 1 0.992 0.02 . 1 . . . . 20 ILE HG2 . 16311 1 209 . 1 1 20 20 ILE C C 13 176.756 0.2 . 1 . . . . 20 ILE C . 16311 1 210 . 1 1 20 20 ILE CA C 13 64.261 0.2 . 1 . . . . 20 ILE CA . 16311 1 211 . 1 1 20 20 ILE CB C 13 36.212 0.2 . 1 . . . . 20 ILE CB . 16311 1 212 . 1 1 20 20 ILE CD1 C 13 13.230 0.2 . 1 . . . . 20 ILE CD1 . 16311 1 213 . 1 1 20 20 ILE CG1 C 13 29.516 0.2 . 1 . . . . 20 ILE CG1 . 16311 1 214 . 1 1 20 20 ILE CG2 C 13 18.072 0.2 . 1 . . . . 20 ILE CG2 . 16311 1 215 . 1 1 20 20 ILE N N 15 122.778 0.2 . 1 . . . . 20 ILE N . 16311 1 216 . 1 1 21 21 SER H H 1 8.817 0.02 . 1 . . . . 21 SER HN . 16311 1 217 . 1 1 21 21 SER HA H 1 5.128 0.02 . 1 . . . . 21 SER HA . 16311 1 218 . 1 1 21 21 SER HB2 H 1 4.483 0.02 . 2 . . . . 21 SER HB1 . 16311 1 219 . 1 1 21 21 SER HB3 H 1 3.507 0.02 . 2 . . . . 21 SER HB2 . 16311 1 220 . 1 1 21 21 SER C C 13 172.708 0.2 . 1 . . . . 21 SER C . 16311 1 221 . 1 1 21 21 SER CA C 13 57.513 0.2 . 1 . . . . 21 SER CA . 16311 1 222 . 1 1 21 21 SER CB C 13 65.126 0.2 . 1 . . . . 21 SER CB . 16311 1 223 . 1 1 21 21 SER N N 15 122.859 0.2 . 1 . . . . 21 SER N . 16311 1 224 . 1 1 22 22 LYS H H 1 7.150 0.02 . 1 . . . . 22 LYS HN . 16311 1 225 . 1 1 22 22 LYS HA H 1 5.530 0.02 . 1 . . . . 22 LYS HA . 16311 1 226 . 1 1 22 22 LYS HB2 H 1 1.602 0.02 . 2 . . . . 22 LYS HB1 . 16311 1 227 . 1 1 22 22 LYS HB3 H 1 1.602 0.02 . 2 . . . . 22 LYS HB2 . 16311 1 228 . 1 1 22 22 LYS HD2 H 1 1.625 0.02 . 2 . . . . 22 LYS HD1 . 16311 1 229 . 1 1 22 22 LYS HD3 H 1 1.625 0.02 . 2 . . . . 22 LYS HD2 . 16311 1 230 . 1 1 22 22 LYS HE2 H 1 3.031 0.02 . 2 . . . . 22 LYS HE1 . 16311 1 231 . 1 1 22 22 LYS HE3 H 1 3.031 0.02 . 2 . . . . 22 LYS HE2 . 16311 1 232 . 1 1 22 22 LYS HG2 H 1 1.417 0.02 . 2 . . . . 22 LYS HG1 . 16311 1 233 . 1 1 22 22 LYS HG3 H 1 1.417 0.02 . 2 . . . . 22 LYS HG2 . 16311 1 234 . 1 1 22 22 LYS C C 13 176.120 0.2 . 1 . . . . 22 LYS C . 16311 1 235 . 1 1 22 22 LYS CA C 13 53.471 0.2 . 1 . . . . 22 LYS CA . 16311 1 236 . 1 1 22 22 LYS CB C 13 37.049 0.2 . 1 . . . . 22 LYS CB . 16311 1 237 . 1 1 22 22 LYS CD C 13 29.771 0.2 . 1 . . . . 22 LYS CD . 16311 1 238 . 1 1 22 22 LYS CE C 13 39.364 0.2 . 1 . . . . 22 LYS CE . 16311 1 239 . 1 1 22 22 LYS CG C 13 24.329 0.2 . 1 . . . . 22 LYS CG . 16311 1 240 . 1 1 22 22 LYS N N 15 119.681 0.2 . 1 . . . . 22 LYS N . 16311 1 241 . 1 1 23 23 THR H H 1 9.134 0.02 . 1 . . . . 23 THR HN . 16311 1 242 . 1 1 23 23 THR HA H 1 4.630 0.02 . 1 . . . . 23 THR HA . 16311 1 243 . 1 1 23 23 THR HB H 1 4.553 0.02 . 1 . . . . 23 THR HB . 16311 1 244 . 1 1 23 23 THR HG1 H 1 6.051 0.02 . 1 . . . . 23 THR HG1 . 16311 1 245 . 1 1 23 23 THR HG21 H 1 1.214 0.02 . 1 . . . . 23 THR HG2 . 16311 1 246 . 1 1 23 23 THR HG22 H 1 1.214 0.02 . 1 . . . . 23 THR HG2 . 16311 1 247 . 1 1 23 23 THR HG23 H 1 1.214 0.02 . 1 . . . . 23 THR HG2 . 16311 1 248 . 1 1 23 23 THR C C 13 177.971 0.2 . 1 . . . . 23 THR C . 16311 1 249 . 1 1 23 23 THR CA C 13 61.032 0.2 . 1 . . . . 23 THR CA . 16311 1 250 . 1 1 23 23 THR CB C 13 70.818 0.2 . 1 . . . . 23 THR CB . 16311 1 251 . 1 1 23 23 THR CG2 C 13 23.230 0.2 . 1 . . . . 23 THR CG2 . 16311 1 252 . 1 1 23 23 THR N N 15 111.072 0.2 . 1 . . . . 23 THR N . 16311 1 253 . 1 1 24 24 MET H H 1 9.383 0.02 . 1 . . . . 24 MET HN . 16311 1 254 . 1 1 24 24 MET HA H 1 4.168 0.02 . 1 . . . . 24 MET HA . 16311 1 255 . 1 1 24 24 MET HB2 H 1 2.193 0.02 . 2 . . . . 24 MET HB1 . 16311 1 256 . 1 1 24 24 MET HB3 H 1 1.771 0.02 . 2 . . . . 24 MET HB2 . 16311 1 257 . 1 1 24 24 MET HG2 H 1 2.387 0.02 . 2 . . . . 24 MET HG1 . 16311 1 258 . 1 1 24 24 MET HG3 H 1 2.650 0.02 . 2 . . . . 24 MET HG2 . 16311 1 259 . 1 1 24 24 MET C C 13 176.122 0.2 . 1 . . . . 24 MET C . 16311 1 260 . 1 1 24 24 MET CA C 13 58.704 0.2 . 1 . . . . 24 MET CA . 16311 1 261 . 1 1 24 24 MET CB C 13 32.546 0.2 . 1 . . . . 24 MET CB . 16311 1 262 . 1 1 24 24 MET CG C 13 30.843 0.2 . 1 . . . . 24 MET CG . 16311 1 263 . 1 1 24 24 MET N N 15 118.120 0.2 . 1 . . . . 24 MET N . 16311 1 264 . 1 1 25 25 SER H H 1 7.763 0.02 . 1 . . . . 25 SER HN . 16311 1 265 . 1 1 25 25 SER HA H 1 4.575 0.02 . 1 . . . . 25 SER HA . 16311 1 266 . 1 1 25 25 SER HB2 H 1 4.082 0.02 . 2 . . . . 25 SER HB1 . 16311 1 267 . 1 1 25 25 SER HB3 H 1 3.905 0.02 . 2 . . . . 25 SER HB2 . 16311 1 268 . 1 1 25 25 SER HG H 1 6.060 0.02 . 1 . . . . 25 SER HG . 16311 1 269 . 1 1 25 25 SER C C 13 174.848 0.2 . 1 . . . . 25 SER C . 16311 1 270 . 1 1 25 25 SER CA C 13 58.895 0.2 . 1 . . . . 25 SER CA . 16311 1 271 . 1 1 25 25 SER CB C 13 62.844 0.2 . 1 . . . . 25 SER CB . 16311 1 272 . 1 1 25 25 SER N N 15 113.626 0.2 . 1 . . . . 25 SER N . 16311 1 273 . 1 1 26 26 GLY H H 1 8.136 0.02 . 1 . . . . 26 GLY HN . 16311 1 274 . 1 1 26 26 GLY HA2 H 1 4.305 0.02 . 2 . . . . 26 GLY HA2 . 16311 1 275 . 1 1 26 26 GLY HA3 H 1 3.503 0.02 . 2 . . . . 26 GLY HA3 . 16311 1 276 . 1 1 26 26 GLY C C 13 174.212 0.2 . 1 . . . . 26 GLY C . 16311 1 277 . 1 1 26 26 GLY CA C 13 45.125 0.2 . 1 . . . . 26 GLY CA . 16311 1 278 . 1 1 26 26 GLY N N 15 110.819 0.2 . 1 . . . . 26 GLY N . 16311 1 279 . 1 1 27 27 LEU H H 1 7.183 0.02 . 1 . . . . 27 LEU HN . 16311 1 280 . 1 1 27 27 LEU HA H 1 4.319 0.02 . 1 . . . . 27 LEU HA . 16311 1 281 . 1 1 27 27 LEU HB2 H 1 1.982 0.02 . 2 . . . . 27 LEU HB1 . 16311 1 282 . 1 1 27 27 LEU HB3 H 1 1.276 0.02 . 2 . . . . 27 LEU HB2 . 16311 1 283 . 1 1 27 27 LEU HD11 H 1 0.882 0.02 . 2 . . . . 27 LEU HD1 . 16311 1 284 . 1 1 27 27 LEU HD12 H 1 0.882 0.02 . 2 . . . . 27 LEU HD1 . 16311 1 285 . 1 1 27 27 LEU HD13 H 1 0.882 0.02 . 2 . . . . 27 LEU HD1 . 16311 1 286 . 1 1 27 27 LEU HD21 H 1 0.872 0.02 . 2 . . . . 27 LEU HD2 . 16311 1 287 . 1 1 27 27 LEU HD22 H 1 0.872 0.02 . 2 . . . . 27 LEU HD2 . 16311 1 288 . 1 1 27 27 LEU HD23 H 1 0.872 0.02 . 2 . . . . 27 LEU HD2 . 16311 1 289 . 1 1 27 27 LEU HG H 1 1.562 0.02 . 1 . . . . 27 LEU HG . 16311 1 290 . 1 1 27 27 LEU C C 13 176.178 0.2 . 1 . . . . 27 LEU C . 16311 1 291 . 1 1 27 27 LEU CA C 13 54.211 0.2 . 1 . . . . 27 LEU CA . 16311 1 292 . 1 1 27 27 LEU CB C 13 42.260 0.2 . 1 . . . . 27 LEU CB . 16311 1 293 . 1 1 27 27 LEU CD1 C 13 25.990 0.2 . 2 . . . . 27 LEU CD1 . 16311 1 294 . 1 1 27 27 LEU CD2 C 13 23.320 0.2 . 2 . . . . 27 LEU CD2 . 16311 1 295 . 1 1 27 27 LEU CG C 13 25.728 0.2 . 1 . . . . 27 LEU CG . 16311 1 296 . 1 1 27 27 LEU N N 15 120.765 0.2 . 1 . . . . 27 LEU N . 16311 1 297 . 1 1 28 28 GLU H H 1 8.699 0.02 . 1 . . . . 28 GLU HN . 16311 1 298 . 1 1 28 28 GLU HA H 1 4.506 0.02 . 1 . . . . 28 GLU HA . 16311 1 299 . 1 1 28 28 GLU HB2 H 1 1.984 0.02 . 2 . . . . 28 GLU HB1 . 16311 1 300 . 1 1 28 28 GLU HB3 H 1 2.024 0.02 . 2 . . . . 28 GLU HB2 . 16311 1 301 . 1 1 28 28 GLU HG2 H 1 2.394 0.02 . 2 . . . . 28 GLU HG1 . 16311 1 302 . 1 1 28 28 GLU HG3 H 1 2.394 0.02 . 2 . . . . 28 GLU HG2 . 16311 1 303 . 1 1 28 28 GLU C C 13 177.161 0.2 . 1 . . . . 28 GLU C . 16311 1 304 . 1 1 28 28 GLU CA C 13 56.451 0.2 . 1 . . . . 28 GLU CA . 16311 1 305 . 1 1 28 28 GLU CB C 13 30.018 0.2 . 1 . . . . 28 GLU CB . 16311 1 306 . 1 1 28 28 GLU CG C 13 35.519 0.2 . 1 . . . . 28 GLU CG . 16311 1 307 . 1 1 28 28 GLU N N 15 122.582 0.2 . 1 . . . . 28 GLU N . 16311 1 308 . 1 1 29 29 CYS H H 1 8.624 0.02 . 1 . . . . 29 CYS HN . 16311 1 309 . 1 1 29 29 CYS HA H 1 4.812 0.02 . 1 . . . . 29 CYS HA . 16311 1 310 . 1 1 29 29 CYS HB2 H 1 3.249 0.02 . 2 . . . . 29 CYS HB1 . 16311 1 311 . 1 1 29 29 CYS HB3 H 1 2.652 0.02 . 2 . . . . 29 CYS HB2 . 16311 1 312 . 1 1 29 29 CYS C C 13 177.045 0.2 . 1 . . . . 29 CYS C . 16311 1 313 . 1 1 29 29 CYS CA C 13 55.189 0.2 . 1 . . . . 29 CYS CA . 16311 1 314 . 1 1 29 29 CYS CB C 13 37.938 0.2 . 1 . . . . 29 CYS CB . 16311 1 315 . 1 1 29 29 CYS N N 15 125.564 0.2 . 1 . . . . 29 CYS N . 16311 1 316 . 1 1 30 30 GLN H H 1 9.664 0.02 . 1 . . . . 30 GLN HN . 16311 1 317 . 1 1 30 30 GLN HA H 1 3.841 0.02 . 1 . . . . 30 GLN HA . 16311 1 318 . 1 1 30 30 GLN HB2 H 1 1.192 0.02 . 2 . . . . 30 GLN HB1 . 16311 1 319 . 1 1 30 30 GLN HB3 H 1 1.771 0.02 . 2 . . . . 30 GLN HB2 . 16311 1 320 . 1 1 30 30 GLN HE21 H 1 7.785 0.02 . 2 . . . . 30 GLN HE21 . 16311 1 321 . 1 1 30 30 GLN HE22 H 1 6.189 0.02 . 2 . . . . 30 GLN HE22 . 16311 1 322 . 1 1 30 30 GLN HG2 H 1 2.430 0.02 . 2 . . . . 30 GLN HG1 . 16311 1 323 . 1 1 30 30 GLN HG3 H 1 2.220 0.02 . 2 . . . . 30 GLN HG2 . 16311 1 324 . 1 1 30 30 GLN C C 13 175.310 0.2 . 1 . . . . 30 GLN C . 16311 1 325 . 1 1 30 30 GLN CA C 13 55.501 0.2 . 1 . . . . 30 GLN CA . 16311 1 326 . 1 1 30 30 GLN CB C 13 29.943 0.2 . 1 . . . . 30 GLN CB . 16311 1 327 . 1 1 30 30 GLN CG C 13 33.177 0.2 . 1 . . . . 30 GLN CG . 16311 1 328 . 1 1 30 30 GLN N N 15 127.687 0.2 . 1 . . . . 30 GLN N . 16311 1 329 . 1 1 30 30 GLN NE2 N 15 110.530 0.2 . 1 . . . . 30 GLN NE2 . 16311 1 330 . 1 1 31 31 ALA H H 1 8.728 0.02 . 1 . . . . 31 ALA HN . 16311 1 331 . 1 1 31 31 ALA HA H 1 4.052 0.02 . 1 . . . . 31 ALA HA . 16311 1 332 . 1 1 31 31 ALA HB1 H 1 1.306 0.02 . 1 . . . . 31 ALA HB . 16311 1 333 . 1 1 31 31 ALA HB2 H 1 1.306 0.02 . 1 . . . . 31 ALA HB . 16311 1 334 . 1 1 31 31 ALA HB3 H 1 1.306 0.02 . 1 . . . . 31 ALA HB . 16311 1 335 . 1 1 31 31 ALA C C 13 178.722 0.2 . 1 . . . . 31 ALA C . 16311 1 336 . 1 1 31 31 ALA CA C 13 52.327 0.2 . 1 . . . . 31 ALA CA . 16311 1 337 . 1 1 31 31 ALA CB C 13 18.034 0.2 . 1 . . . . 31 ALA CB . 16311 1 338 . 1 1 31 31 ALA N N 15 128.680 0.2 . 1 . . . . 31 ALA N . 16311 1 339 . 1 1 32 32 TRP H H 1 7.703 0.02 . 1 . . . . 32 TRP HN . 16311 1 340 . 1 1 32 32 TRP HA H 1 4.244 0.02 . 1 . . . . 32 TRP HA . 16311 1 341 . 1 1 32 32 TRP HB2 H 1 3.664 0.02 . 2 . . . . 32 TRP HB1 . 16311 1 342 . 1 1 32 32 TRP HB3 H 1 2.920 0.02 . 2 . . . . 32 TRP HB2 . 16311 1 343 . 1 1 32 32 TRP HD1 H 1 7.104 0.02 . 1 . . . . 32 TRP HD1 . 16311 1 344 . 1 1 32 32 TRP HE1 H 1 11.419 0.02 . 1 . . . . 32 TRP HE1 . 16311 1 345 . 1 1 32 32 TRP HE3 H 1 7.790 0.02 . 1 . . . . 32 TRP HE3 . 16311 1 346 . 1 1 32 32 TRP HH2 H 1 7.128 0.02 . 1 . . . . 32 TRP HH2 . 16311 1 347 . 1 1 32 32 TRP HZ2 H 1 7.347 0.02 . 1 . . . . 32 TRP HZ2 . 16311 1 348 . 1 1 32 32 TRP HZ3 H 1 7.260 0.02 . 1 . . . . 32 TRP HZ3 . 16311 1 349 . 1 1 32 32 TRP C C 13 177.566 0.2 . 1 . . . . 32 TRP C . 16311 1 350 . 1 1 32 32 TRP CA C 13 59.531 0.2 . 1 . . . . 32 TRP CA . 16311 1 351 . 1 1 32 32 TRP CB C 13 29.953 0.2 . 1 . . . . 32 TRP CB . 16311 1 352 . 1 1 32 32 TRP CD1 C 13 127.751 0.2 . 1 . . . . 32 TRP CD1 . 16311 1 353 . 1 1 32 32 TRP CE3 C 13 120.010 0.2 . 1 . . . . 32 TRP CE3 . 16311 1 354 . 1 1 32 32 TRP CH2 C 13 123.140 0.2 . 1 . . . . 32 TRP CH2 . 16311 1 355 . 1 1 32 32 TRP CZ2 C 13 115.120 0.2 . 1 . . . . 32 TRP CZ2 . 16311 1 356 . 1 1 32 32 TRP CZ3 C 13 119.713 0.2 . 1 . . . . 32 TRP CZ3 . 16311 1 357 . 1 1 32 32 TRP N N 15 123.505 0.2 . 1 . . . . 32 TRP N . 16311 1 358 . 1 1 32 32 TRP NE1 N 15 131.483 0.2 . 1 . . . . 32 TRP NE1 . 16311 1 359 . 1 1 33 33 ASP H H 1 8.797 0.02 . 1 . . . . 33 ASP HN . 16311 1 360 . 1 1 33 33 ASP HA H 1 4.634 0.02 . 1 . . . . 33 ASP HA . 16311 1 361 . 1 1 33 33 ASP HB2 H 1 2.843 0.02 . 2 . . . . 33 ASP HB1 . 16311 1 362 . 1 1 33 33 ASP HB3 H 1 2.843 0.02 . 2 . . . . 33 ASP HB2 . 16311 1 363 . 1 1 33 33 ASP C C 13 175.831 0.2 . 1 . . . . 33 ASP C . 16311 1 364 . 1 1 33 33 ASP CA C 13 54.398 0.2 . 1 . . . . 33 ASP CA . 16311 1 365 . 1 1 33 33 ASP CB C 13 40.707 0.2 . 1 . . . . 33 ASP CB . 16311 1 366 . 1 1 33 33 ASP N N 15 113.424 0.2 . 1 . . . . 33 ASP N . 16311 1 367 . 1 1 34 34 SER H H 1 8.039 0.02 . 1 . . . . 34 SER HN . 16311 1 368 . 1 1 34 34 SER HA H 1 4.737 0.02 . 1 . . . . 34 SER HA . 16311 1 369 . 1 1 34 34 SER HB2 H 1 4.189 0.02 . 2 . . . . 34 SER HB1 . 16311 1 370 . 1 1 34 34 SER HB3 H 1 3.961 0.02 . 2 . . . . 34 SER HB2 . 16311 1 371 . 1 1 34 34 SER HG H 1 6.173 0.02 . 1 . . . . 34 SER HG . 16311 1 372 . 1 1 34 34 SER C C 13 174.096 0.2 . 1 . . . . 34 SER C . 16311 1 373 . 1 1 34 34 SER CA C 13 56.454 0.2 . 1 . . . . 34 SER CA . 16311 1 374 . 1 1 34 34 SER CB C 13 65.137 0.2 . 1 . . . . 34 SER CB . 16311 1 375 . 1 1 34 34 SER N N 15 114.429 0.2 . 1 . . . . 34 SER N . 16311 1 376 . 1 1 35 35 GLN H H 1 8.387 0.02 . 1 . . . . 35 GLN HN . 16311 1 377 . 1 1 35 35 GLN HA H 1 4.426 0.02 . 1 . . . . 35 GLN HA . 16311 1 378 . 1 1 35 35 GLN HB2 H 1 1.494 0.02 . 2 . . . . 35 GLN HB1 . 16311 1 379 . 1 1 35 35 GLN HB3 H 1 2.664 0.02 . 2 . . . . 35 GLN HB2 . 16311 1 380 . 1 1 35 35 GLN HE21 H 1 8.131 0.02 . 2 . . . . 35 GLN HE21 . 16311 1 381 . 1 1 35 35 GLN HE22 H 1 6.089 0.02 . 2 . . . . 35 GLN HE22 . 16311 1 382 . 1 1 35 35 GLN HG2 H 1 2.212 0.02 . 2 . . . . 35 GLN HG1 . 16311 1 383 . 1 1 35 35 GLN HG3 H 1 2.212 0.02 . 2 . . . . 35 GLN HG2 . 16311 1 384 . 1 1 35 35 GLN C C 13 173.518 0.2 . 1 . . . . 35 GLN C . 16311 1 385 . 1 1 35 35 GLN CA C 13 54.020 0.2 . 1 . . . . 35 GLN CA . 16311 1 386 . 1 1 35 35 GLN CB C 13 28.804 0.2 . 1 . . . . 35 GLN CB . 16311 1 387 . 1 1 35 35 GLN CG C 13 32.581 0.2 . 1 . . . . 35 GLN CG . 16311 1 388 . 1 1 35 35 GLN N N 15 123.700 0.2 . 1 . . . . 35 GLN N . 16311 1 389 . 1 1 35 35 GLN NE2 N 15 116.583 0.2 . 1 . . . . 35 GLN NE2 . 16311 1 390 . 1 1 36 36 SER H H 1 7.746 0.02 . 1 . . . . 36 SER HN . 16311 1 391 . 1 1 36 36 SER HA H 1 4.466 0.02 . 1 . . . . 36 SER HA . 16311 1 392 . 1 1 36 36 SER HB2 H 1 3.518 0.02 . 2 . . . . 36 SER HB1 . 16311 1 393 . 1 1 36 36 SER HB3 H 1 3.518 0.02 . 2 . . . . 36 SER HB2 . 16311 1 394 . 1 1 36 36 SER HG H 1 5.346 0.02 . 1 . . . . 36 SER HG . 16311 1 395 . 1 1 36 36 SER C C 13 172.824 0.2 . 1 . . . . 36 SER C . 16311 1 396 . 1 1 36 36 SER CA C 13 54.749 0.2 . 1 . . . . 36 SER CA . 16311 1 397 . 1 1 36 36 SER CB C 13 65.162 0.2 . 1 . . . . 36 SER CB . 16311 1 398 . 1 1 36 36 SER N N 15 112.974 0.2 . 1 . . . . 36 SER N . 16311 1 399 . 1 1 37 37 PRO HA H 1 4.382 0.02 . 1 . . . . 37 PRO HA . 16311 1 400 . 1 1 37 37 PRO HB2 H 1 2.180 0.02 . 2 . . . . 37 PRO HB1 . 16311 1 401 . 1 1 37 37 PRO HB3 H 1 1.225 0.02 . 2 . . . . 37 PRO HB2 . 16311 1 402 . 1 1 37 37 PRO HD2 H 1 3.262 0.02 . 2 . . . . 37 PRO HD1 . 16311 1 403 . 1 1 37 37 PRO HD3 H 1 3.952 0.02 . 2 . . . . 37 PRO HD2 . 16311 1 404 . 1 1 37 37 PRO HG2 H 1 2.450 0.02 . 2 . . . . 37 PRO HG1 . 16311 1 405 . 1 1 37 37 PRO HG3 H 1 1.279 0.02 . 2 . . . . 37 PRO HG2 . 16311 1 406 . 1 1 37 37 PRO C C 13 176.351 0.2 . 1 . . . . 37 PRO C . 16311 1 407 . 1 1 37 37 PRO CA C 13 64.110 0.2 . 1 . . . . 37 PRO CA . 16311 1 408 . 1 1 37 37 PRO CB C 13 33.670 0.2 . 1 . . . . 37 PRO CB . 16311 1 409 . 1 1 37 37 PRO CD C 13 50.050 0.2 . 1 . . . . 37 PRO CD . 16311 1 410 . 1 1 37 37 PRO CG C 13 24.735 0.2 . 1 . . . . 37 PRO CG . 16311 1 411 . 1 1 38 38 HIS H H 1 8.764 0.02 . 1 . . . . 38 HIS HN . 16311 1 412 . 1 1 38 38 HIS HA H 1 4.897 0.02 . 1 . . . . 38 HIS HA . 16311 1 413 . 1 1 38 38 HIS HB2 H 1 3.037 0.02 . 2 . . . . 38 HIS HB1 . 16311 1 414 . 1 1 38 38 HIS HB3 H 1 2.815 0.02 . 2 . . . . 38 HIS HB2 . 16311 1 415 . 1 1 38 38 HIS HD2 H 1 6.860 0.02 . 1 . . . . 38 HIS HD2 . 16311 1 416 . 1 1 38 38 HIS HE1 H 1 8.234 0.02 . 1 . . . . 38 HIS HE1 . 16311 1 417 . 1 1 38 38 HIS C C 13 178.144 0.2 . 1 . . . . 38 HIS C . 16311 1 418 . 1 1 38 38 HIS CA C 13 55.580 0.2 . 1 . . . . 38 HIS CA . 16311 1 419 . 1 1 38 38 HIS CB C 13 30.421 0.2 . 1 . . . . 38 HIS CB . 16311 1 420 . 1 1 38 38 HIS CD2 C 13 119.950 0.2 . 1 . . . . 38 HIS CD2 . 16311 1 421 . 1 1 38 38 HIS CE1 C 13 137.481 0.2 . 1 . . . . 38 HIS CE1 . 16311 1 422 . 1 1 38 38 HIS N N 15 122.516 0.2 . 1 . . . . 38 HIS N . 16311 1 423 . 1 1 39 39 ALA H H 1 8.673 0.02 . 1 . . . . 39 ALA HN . 16311 1 424 . 1 1 39 39 ALA HA H 1 4.493 0.02 . 1 . . . . 39 ALA HA . 16311 1 425 . 1 1 39 39 ALA HB1 H 1 1.427 0.02 . 1 . . . . 39 ALA HB . 16311 1 426 . 1 1 39 39 ALA HB2 H 1 1.427 0.02 . 1 . . . . 39 ALA HB . 16311 1 427 . 1 1 39 39 ALA HB3 H 1 1.427 0.02 . 1 . . . . 39 ALA HB . 16311 1 428 . 1 1 39 39 ALA C C 13 178.375 0.2 . 1 . . . . 39 ALA C . 16311 1 429 . 1 1 39 39 ALA CA C 13 51.440 0.2 . 1 . . . . 39 ALA CA . 16311 1 430 . 1 1 39 39 ALA CB C 13 18.980 0.2 . 1 . . . . 39 ALA CB . 16311 1 431 . 1 1 39 39 ALA N N 15 128.546 0.2 . 1 . . . . 39 ALA N . 16311 1 432 . 1 1 40 40 HIS H H 1 9.291 0.02 . 1 . . . . 40 HIS HN . 16311 1 433 . 1 1 40 40 HIS HA H 1 4.734 0.02 . 1 . . . . 40 HIS HA . 16311 1 434 . 1 1 40 40 HIS HB2 H 1 2.105 0.02 . 2 . . . . 40 HIS HB1 . 16311 1 435 . 1 1 40 40 HIS HB3 H 1 3.099 0.02 . 2 . . . . 40 HIS HB2 . 16311 1 436 . 1 1 40 40 HIS HD2 H 1 7.125 0.02 . 1 . . . . 40 HIS HD2 . 16311 1 437 . 1 1 40 40 HIS HE1 H 1 8.331 0.02 . 1 . . . . 40 HIS HE1 . 16311 1 438 . 1 1 40 40 HIS HE2 H 1 10.346 0.02 . 1 . . . . 40 HIS HE2 . 16311 1 439 . 1 1 40 40 HIS C C 13 175.484 0.2 . 1 . . . . 40 HIS C . 16311 1 440 . 1 1 40 40 HIS CA C 13 56.141 0.2 . 1 . . . . 40 HIS CA . 16311 1 441 . 1 1 40 40 HIS CB C 13 35.545 0.2 . 1 . . . . 40 HIS CB . 16311 1 442 . 1 1 40 40 HIS CD2 C 13 120.118 0.2 . 1 . . . . 40 HIS CD2 . 16311 1 443 . 1 1 40 40 HIS CE1 C 13 138.985 0.2 . 1 . . . . 40 HIS CE1 . 16311 1 444 . 1 1 40 40 HIS N N 15 120.682 0.2 . 1 . . . . 40 HIS N . 16311 1 445 . 1 1 41 41 GLY H H 1 9.080 0.02 . 1 . . . . 41 GLY HN . 16311 1 446 . 1 1 41 41 GLY HA2 H 1 4.602 0.02 . 2 . . . . 41 GLY HA2 . 16311 1 447 . 1 1 41 41 GLY HA3 H 1 3.671 0.02 . 2 . . . . 41 GLY HA3 . 16311 1 448 . 1 1 41 41 GLY C C 13 176.409 0.2 . 1 . . . . 41 GLY C . 16311 1 449 . 1 1 41 41 GLY CA C 13 44.724 0.2 . 1 . . . . 41 GLY CA . 16311 1 450 . 1 1 41 41 GLY N N 15 106.159 0.2 . 1 . . . . 41 GLY N . 16311 1 451 . 1 1 42 42 TYR H H 1 11.980 0.02 . 1 . . . . 42 TYR HN . 16311 1 452 . 1 1 42 42 TYR HA H 1 4.616 0.02 . 1 . . . . 42 TYR HA . 16311 1 453 . 1 1 42 42 TYR HB2 H 1 3.179 0.02 . 2 . . . . 42 TYR HB1 . 16311 1 454 . 1 1 42 42 TYR HB3 H 1 4.169 0.02 . 2 . . . . 42 TYR HB2 . 16311 1 455 . 1 1 42 42 TYR HD1 H 1 6.832 0.02 . 3 . . . . 42 TYR HD1 . 16311 1 456 . 1 1 42 42 TYR HD2 H 1 6.832 0.02 . 3 . . . . 42 TYR HD2 . 16311 1 457 . 1 1 42 42 TYR HE1 H 1 6.986 0.02 . 3 . . . . 42 TYR HE1 . 16311 1 458 . 1 1 42 42 TYR HE2 H 1 6.986 0.02 . 3 . . . . 42 TYR HE2 . 16311 1 459 . 1 1 42 42 TYR C C 13 174.385 0.2 . 1 . . . . 42 TYR C . 16311 1 460 . 1 1 42 42 TYR CA C 13 57.579 0.2 . 1 . . . . 42 TYR CA . 16311 1 461 . 1 1 42 42 TYR CB C 13 36.198 0.2 . 1 . . . . 42 TYR CB . 16311 1 462 . 1 1 42 42 TYR CD1 C 13 133.433 0.2 . 3 . . . . 42 TYR CD1 . 16311 1 463 . 1 1 42 42 TYR CD2 C 13 133.433 0.2 . 3 . . . . 42 TYR CD2 . 16311 1 464 . 1 1 42 42 TYR CE1 C 13 117.692 0.2 . 3 . . . . 42 TYR CE1 . 16311 1 465 . 1 1 42 42 TYR CE2 C 13 117.692 0.2 . 3 . . . . 42 TYR CE2 . 16311 1 466 . 1 1 42 42 TYR N N 15 133.554 0.2 . 1 . . . . 42 TYR N . 16311 1 467 . 1 1 43 43 ILE H H 1 7.120 0.02 . 1 . . . . 43 ILE HN . 16311 1 468 . 1 1 43 43 ILE HA H 1 4.630 0.02 . 1 . . . . 43 ILE HA . 16311 1 469 . 1 1 43 43 ILE HB H 1 1.643 0.02 . 1 . . . . 43 ILE HB . 16311 1 470 . 1 1 43 43 ILE HD11 H 1 0.829 0.02 . 1 . . . . 43 ILE HD1 . 16311 1 471 . 1 1 43 43 ILE HD12 H 1 0.829 0.02 . 1 . . . . 43 ILE HD1 . 16311 1 472 . 1 1 43 43 ILE HD13 H 1 0.829 0.02 . 1 . . . . 43 ILE HD1 . 16311 1 473 . 1 1 43 43 ILE HG12 H 1 1.444 0.02 . 2 . . . . 43 ILE HG11 . 16311 1 474 . 1 1 43 43 ILE HG13 H 1 1.251 0.02 . 2 . . . . 43 ILE HG12 . 16311 1 475 . 1 1 43 43 ILE HG21 H 1 1.004 0.02 . 1 . . . . 43 ILE HG2 . 16311 1 476 . 1 1 43 43 ILE HG22 H 1 1.004 0.02 . 1 . . . . 43 ILE HG2 . 16311 1 477 . 1 1 43 43 ILE HG23 H 1 1.004 0.02 . 1 . . . . 43 ILE HG2 . 16311 1 478 . 1 1 43 43 ILE C C 13 177.219 0.2 . 1 . . . . 43 ILE C . 16311 1 479 . 1 1 43 43 ILE CA C 13 58.201 0.2 . 1 . . . . 43 ILE CA . 16311 1 480 . 1 1 43 43 ILE CB C 13 38.761 0.2 . 1 . . . . 43 ILE CB . 16311 1 481 . 1 1 43 43 ILE CD1 C 13 12.023 0.2 . 1 . . . . 43 ILE CD1 . 16311 1 482 . 1 1 43 43 ILE CG1 C 13 27.801 0.2 . 1 . . . . 43 ILE CG1 . 16311 1 483 . 1 1 43 43 ILE CG2 C 13 17.446 0.2 . 1 . . . . 43 ILE CG2 . 16311 1 484 . 1 1 43 43 ILE N N 15 118.881 0.2 . 1 . . . . 43 ILE N . 16311 1 485 . 1 1 44 44 PRO HA H 1 4.193 0.02 . 1 . . . . 44 PRO HA . 16311 1 486 . 1 1 44 44 PRO HB2 H 1 2.186 0.02 . 2 . . . . 44 PRO HB1 . 16311 1 487 . 1 1 44 44 PRO HB3 H 1 2.570 0.02 . 2 . . . . 44 PRO HB2 . 16311 1 488 . 1 1 44 44 PRO HD2 H 1 3.945 0.02 . 2 . . . . 44 PRO HD1 . 16311 1 489 . 1 1 44 44 PRO HD3 H 1 3.252 0.02 . 2 . . . . 44 PRO HD2 . 16311 1 490 . 1 1 44 44 PRO HG2 H 1 1.753 0.02 . 2 . . . . 44 PRO HG1 . 16311 1 491 . 1 1 44 44 PRO HG3 H 1 2.238 0.02 . 2 . . . . 44 PRO HG2 . 16311 1 492 . 1 1 44 44 PRO C C 13 178.780 0.2 . 1 . . . . 44 PRO C . 16311 1 493 . 1 1 44 44 PRO CA C 13 67.061 0.2 . 1 . . . . 44 PRO CA . 16311 1 494 . 1 1 44 44 PRO CB C 13 32.267 0.2 . 1 . . . . 44 PRO CB . 16311 1 495 . 1 1 44 44 PRO CD C 13 50.957 0.2 . 1 . . . . 44 PRO CD . 16311 1 496 . 1 1 44 44 PRO CG C 13 26.627 0.2 . 1 . . . . 44 PRO CG . 16311 1 497 . 1 1 45 45 SER H H 1 7.984 0.02 . 1 . . . . 45 SER HN . 16311 1 498 . 1 1 45 45 SER HA H 1 4.087 0.02 . 1 . . . . 45 SER HA . 16311 1 499 . 1 1 45 45 SER HB2 H 1 3.892 0.02 . 2 . . . . 45 SER HB1 . 16311 1 500 . 1 1 45 45 SER HB3 H 1 3.892 0.02 . 2 . . . . 45 SER HB2 . 16311 1 501 . 1 1 45 45 SER HG H 1 4.835 0.02 . 1 . . . . 45 SER HG . 16311 1 502 . 1 1 45 45 SER C C 13 176.004 0.2 . 1 . . . . 45 SER C . 16311 1 503 . 1 1 45 45 SER CA C 13 60.161 0.2 . 1 . . . . 45 SER CA . 16311 1 504 . 1 1 45 45 SER CB C 13 62.260 0.2 . 1 . . . . 45 SER CB . 16311 1 505 . 1 1 45 45 SER N N 15 107.865 0.2 . 1 . . . . 45 SER N . 16311 1 506 . 1 1 46 46 LYS H H 1 7.769 0.02 . 1 . . . . 46 LYS HN . 16311 1 507 . 1 1 46 46 LYS HA H 1 3.965 0.02 . 1 . . . . 46 LYS HA . 16311 1 508 . 1 1 46 46 LYS HB2 H 1 1.413 0.02 . 2 . . . . 46 LYS HB1 . 16311 1 509 . 1 1 46 46 LYS HB3 H 1 1.631 0.02 . 2 . . . . 46 LYS HB2 . 16311 1 510 . 1 1 46 46 LYS HD2 H 1 1.230 0.02 . 2 . . . . 46 LYS HD1 . 16311 1 511 . 1 1 46 46 LYS HD3 H 1 1.230 0.02 . 2 . . . . 46 LYS HD2 . 16311 1 512 . 1 1 46 46 LYS HE2 H 1 2.823 0.02 . 2 . . . . 46 LYS HE1 . 16311 1 513 . 1 1 46 46 LYS HE3 H 1 2.823 0.02 . 2 . . . . 46 LYS HE2 . 16311 1 514 . 1 1 46 46 LYS HG2 H 1 1.106 0.02 . 2 . . . . 46 LYS HG1 . 16311 1 515 . 1 1 46 46 LYS HG3 H 1 0.728 0.02 . 2 . . . . 46 LYS HG2 . 16311 1 516 . 1 1 46 46 LYS C C 13 175.831 0.2 . 1 . . . . 46 LYS C . 16311 1 517 . 1 1 46 46 LYS CA C 13 57.349 0.2 . 1 . . . . 46 LYS CA . 16311 1 518 . 1 1 46 46 LYS CB C 13 33.283 0.2 . 1 . . . . 46 LYS CB . 16311 1 519 . 1 1 46 46 LYS CD C 13 29.227 0.2 . 1 . . . . 46 LYS CD . 16311 1 520 . 1 1 46 46 LYS CE C 13 43.464 0.2 . 1 . . . . 46 LYS CE . 16311 1 521 . 1 1 46 46 LYS CG C 13 25.054 0.2 . 1 . . . . 46 LYS CG . 16311 1 522 . 1 1 46 46 LYS N N 15 121.944 0.2 . 1 . . . . 46 LYS N . 16311 1 523 . 1 1 47 47 PHE H H 1 7.018 0.02 . 1 . . . . 47 PHE HN . 16311 1 524 . 1 1 47 47 PHE HA H 1 5.244 0.02 . 1 . . . . 47 PHE HA . 16311 1 525 . 1 1 47 47 PHE HB2 H 1 3.063 0.02 . 2 . . . . 47 PHE HB1 . 16311 1 526 . 1 1 47 47 PHE HB3 H 1 2.701 0.02 . 2 . . . . 47 PHE HB2 . 16311 1 527 . 1 1 47 47 PHE HD1 H 1 7.225 0.02 . 3 . . . . 47 PHE HD1 . 16311 1 528 . 1 1 47 47 PHE HD2 H 1 7.225 0.02 . 3 . . . . 47 PHE HD2 . 16311 1 529 . 1 1 47 47 PHE HE1 H 1 7.526 0.02 . 3 . . . . 47 PHE HE1 . 16311 1 530 . 1 1 47 47 PHE HE2 H 1 7.526 0.02 . 3 . . . . 47 PHE HE2 . 16311 1 531 . 1 1 47 47 PHE HZ H 1 7.018 0.02 . 1 . . . . 47 PHE HZ . 16311 1 532 . 1 1 47 47 PHE C C 13 174.790 0.2 . 1 . . . . 47 PHE C . 16311 1 533 . 1 1 47 47 PHE CA C 13 54.142 0.2 . 1 . . . . 47 PHE CA . 16311 1 534 . 1 1 47 47 PHE CB C 13 39.434 0.2 . 1 . . . . 47 PHE CB . 16311 1 535 . 1 1 47 47 PHE CD1 C 13 132.480 0.2 . 3 . . . . 47 PHE CD1 . 16311 1 536 . 1 1 47 47 PHE CD2 C 13 132.480 0.2 . 3 . . . . 47 PHE CD2 . 16311 1 537 . 1 1 47 47 PHE CE1 C 13 130.982 0.2 . 3 . . . . 47 PHE CE1 . 16311 1 538 . 1 1 47 47 PHE CE2 C 13 130.982 0.2 . 3 . . . . 47 PHE CE2 . 16311 1 539 . 1 1 47 47 PHE N N 15 115.480 0.2 . 1 . . . . 47 PHE N . 16311 1 540 . 1 1 48 48 PRO HA H 1 4.472 0.02 . 1 . . . . 48 PRO HA . 16311 1 541 . 1 1 48 48 PRO HB2 H 1 2.255 0.02 . 2 . . . . 48 PRO HB1 . 16311 1 542 . 1 1 48 48 PRO HB3 H 1 2.056 0.02 . 2 . . . . 48 PRO HB2 . 16311 1 543 . 1 1 48 48 PRO HD2 H 1 3.288 0.02 . 2 . . . . 48 PRO HD1 . 16311 1 544 . 1 1 48 48 PRO HD3 H 1 3.612 0.02 . 2 . . . . 48 PRO HD2 . 16311 1 545 . 1 1 48 48 PRO HG2 H 1 1.981 0.02 . 2 . . . . 48 PRO HG1 . 16311 1 546 . 1 1 48 48 PRO HG3 H 1 1.456 0.02 . 2 . . . . 48 PRO HG2 . 16311 1 547 . 1 1 48 48 PRO C C 13 177.681 0.2 . 1 . . . . 48 PRO C . 16311 1 548 . 1 1 48 48 PRO CA C 13 65.513 0.2 . 1 . . . . 48 PRO CA . 16311 1 549 . 1 1 48 48 PRO CB C 13 31.712 0.2 . 1 . . . . 48 PRO CB . 16311 1 550 . 1 1 48 48 PRO CD C 13 50.690 0.2 . 1 . . . . 48 PRO CD . 16311 1 551 . 1 1 48 48 PRO CG C 13 28.865 0.2 . 1 . . . . 48 PRO CG . 16311 1 552 . 1 1 49 49 ASN H H 1 8.559 0.02 . 1 . . . . 49 ASN HN . 16311 1 553 . 1 1 49 49 ASN HA H 1 4.818 0.02 . 1 . . . . 49 ASN HA . 16311 1 554 . 1 1 49 49 ASN HB2 H 1 3.049 0.02 . 2 . . . . 49 ASN HB1 . 16311 1 555 . 1 1 49 49 ASN HB3 H 1 2.922 0.02 . 2 . . . . 49 ASN HB2 . 16311 1 556 . 1 1 49 49 ASN HD21 H 1 7.668 0.02 . 2 . . . . 49 ASN HD21 . 16311 1 557 . 1 1 49 49 ASN HD22 H 1 7.025 0.02 . 2 . . . . 49 ASN HD22 . 16311 1 558 . 1 1 49 49 ASN C C 13 175.715 0.2 . 1 . . . . 49 ASN C . 16311 1 559 . 1 1 49 49 ASN CA C 13 53.372 0.2 . 1 . . . . 49 ASN CA . 16311 1 560 . 1 1 49 49 ASN CB C 13 37.351 0.2 . 1 . . . . 49 ASN CB . 16311 1 561 . 1 1 49 49 ASN N N 15 114.836 0.2 . 1 . . . . 49 ASN N . 16311 1 562 . 1 1 49 49 ASN ND2 N 15 112.463 0.2 . 1 . . . . 49 ASN ND2 . 16311 1 563 . 1 1 50 50 LYS H H 1 7.627 0.02 . 1 . . . . 50 LYS HN . 16311 1 564 . 1 1 50 50 LYS HA H 1 4.480 0.02 . 1 . . . . 50 LYS HA . 16311 1 565 . 1 1 50 50 LYS HB2 H 1 1.564 0.02 . 2 . . . . 50 LYS HB1 . 16311 1 566 . 1 1 50 50 LYS HB3 H 1 1.898 0.02 . 2 . . . . 50 LYS HB2 . 16311 1 567 . 1 1 50 50 LYS HD2 H 1 1.624 0.02 . 2 . . . . 50 LYS HD1 . 16311 1 568 . 1 1 50 50 LYS HD3 H 1 1.624 0.02 . 2 . . . . 50 LYS HD2 . 16311 1 569 . 1 1 50 50 LYS HE2 H 1 3.062 0.02 . 2 . . . . 50 LYS HE1 . 16311 1 570 . 1 1 50 50 LYS HE3 H 1 2.955 0.02 . 2 . . . . 50 LYS HE2 . 16311 1 571 . 1 1 50 50 LYS HG2 H 1 1.260 0.02 . 2 . . . . 50 LYS HG1 . 16311 1 572 . 1 1 50 50 LYS HG3 H 1 1.260 0.02 . 2 . . . . 50 LYS HG2 . 16311 1 573 . 1 1 50 50 LYS C C 13 175.079 0.2 . 1 . . . . 50 LYS C . 16311 1 574 . 1 1 50 50 LYS CA C 13 53.336 0.2 . 1 . . . . 50 LYS CA . 16311 1 575 . 1 1 50 50 LYS CB C 13 31.284 0.2 . 1 . . . . 50 LYS CB . 16311 1 576 . 1 1 50 50 LYS CD C 13 28.650 0.2 . 1 . . . . 50 LYS CD . 16311 1 577 . 1 1 50 50 LYS CE C 13 42.179 0.2 . 1 . . . . 50 LYS CE . 16311 1 578 . 1 1 50 50 LYS CG C 13 25.079 0.2 . 1 . . . . 50 LYS CG . 16311 1 579 . 1 1 50 50 LYS N N 15 116.224 0.2 . 1 . . . . 50 LYS N . 16311 1 580 . 1 1 51 51 ASN H H 1 7.945 0.02 . 1 . . . . 51 ASN HN . 16311 1 581 . 1 1 51 51 ASN HA H 1 4.304 0.02 . 1 . . . . 51 ASN HA . 16311 1 582 . 1 1 51 51 ASN HB2 H 1 3.134 0.02 . 2 . . . . 51 ASN HB1 . 16311 1 583 . 1 1 51 51 ASN HB3 H 1 2.853 0.02 . 2 . . . . 51 ASN HB2 . 16311 1 584 . 1 1 51 51 ASN HD21 H 1 7.818 0.02 . 2 . . . . 51 ASN HD21 . 16311 1 585 . 1 1 51 51 ASN HD22 H 1 6.833 0.02 . 2 . . . . 51 ASN HD22 . 16311 1 586 . 1 1 51 51 ASN C C 13 175.195 0.2 . 1 . . . . 51 ASN C . 16311 1 587 . 1 1 51 51 ASN CA C 13 54.089 0.2 . 1 . . . . 51 ASN CA . 16311 1 588 . 1 1 51 51 ASN CB C 13 36.504 0.2 . 1 . . . . 51 ASN CB . 16311 1 589 . 1 1 51 51 ASN N N 15 115.331 0.2 . 1 . . . . 51 ASN N . 16311 1 590 . 1 1 51 51 ASN ND2 N 15 113.497 0.2 . 1 . . . . 51 ASN ND2 . 16311 1 591 . 1 1 52 52 LEU H H 1 8.803 0.02 . 1 . . . . 52 LEU HN . 16311 1 592 . 1 1 52 52 LEU HA H 1 3.412 0.02 . 1 . . . . 52 LEU HA . 16311 1 593 . 1 1 52 52 LEU HB2 H 1 1.378 0.02 . 2 . . . . 52 LEU HB1 . 16311 1 594 . 1 1 52 52 LEU HB3 H 1 1.722 0.02 . 2 . . . . 52 LEU HB2 . 16311 1 595 . 1 1 52 52 LEU HD11 H 1 -0.833 0.02 . 2 . . . . 52 LEU HD1 . 16311 1 596 . 1 1 52 52 LEU HD12 H 1 -0.833 0.02 . 2 . . . . 52 LEU HD1 . 16311 1 597 . 1 1 52 52 LEU HD13 H 1 -0.833 0.02 . 2 . . . . 52 LEU HD1 . 16311 1 598 . 1 1 52 52 LEU HD21 H 1 0.653 0.02 . 2 . . . . 52 LEU HD2 . 16311 1 599 . 1 1 52 52 LEU HD22 H 1 0.653 0.02 . 2 . . . . 52 LEU HD2 . 16311 1 600 . 1 1 52 52 LEU HD23 H 1 0.653 0.02 . 2 . . . . 52 LEU HD2 . 16311 1 601 . 1 1 52 52 LEU HG H 1 1.080 0.02 . 1 . . . . 52 LEU HG . 16311 1 602 . 1 1 52 52 LEU C C 13 174.674 0.2 . 1 . . . . 52 LEU C . 16311 1 603 . 1 1 52 52 LEU CA C 13 53.983 0.2 . 1 . . . . 52 LEU CA . 16311 1 604 . 1 1 52 52 LEU CB C 13 42.471 0.2 . 1 . . . . 52 LEU CB . 16311 1 605 . 1 1 52 52 LEU CD1 C 13 19.460 0.2 . 2 . . . . 52 LEU CD1 . 16311 1 606 . 1 1 52 52 LEU CD2 C 13 25.400 0.2 . 2 . . . . 52 LEU CD2 . 16311 1 607 . 1 1 52 52 LEU CG C 13 25.766 0.2 . 1 . . . . 52 LEU CG . 16311 1 608 . 1 1 52 52 LEU N N 15 121.765 0.2 . 1 . . . . 52 LEU N . 16311 1 609 . 1 1 53 53 LYS H H 1 7.099 0.02 . 1 . . . . 53 LYS HN . 16311 1 610 . 1 1 53 53 LYS HA H 1 4.324 0.02 . 1 . . . . 53 LYS HA . 16311 1 611 . 1 1 53 53 LYS HB2 H 1 1.649 0.02 . 2 . . . . 53 LYS HB1 . 16311 1 612 . 1 1 53 53 LYS HB3 H 1 1.772 0.02 . 2 . . . . 53 LYS HB2 . 16311 1 613 . 1 1 53 53 LYS HD2 H 1 1.725 0.02 . 2 . . . . 53 LYS HD1 . 16311 1 614 . 1 1 53 53 LYS HD3 H 1 1.725 0.02 . 2 . . . . 53 LYS HD2 . 16311 1 615 . 1 1 53 53 LYS HE2 H 1 2.989 0.02 . 2 . . . . 53 LYS HE1 . 16311 1 616 . 1 1 53 53 LYS HE3 H 1 2.989 0.02 . 2 . . . . 53 LYS HE2 . 16311 1 617 . 1 1 53 53 LYS HG2 H 1 1.400 0.02 . 2 . . . . 53 LYS HG1 . 16311 1 618 . 1 1 53 53 LYS HG3 H 1 1.270 0.02 . 2 . . . . 53 LYS HG2 . 16311 1 619 . 1 1 53 53 LYS C C 13 173.460 0.2 . 1 . . . . 53 LYS C . 16311 1 620 . 1 1 53 53 LYS CA C 13 54.843 0.2 . 1 . . . . 53 LYS CA . 16311 1 621 . 1 1 53 53 LYS CB C 13 36.395 0.2 . 1 . . . . 53 LYS CB . 16311 1 622 . 1 1 53 53 LYS CD C 13 29.795 0.2 . 1 . . . . 53 LYS CD . 16311 1 623 . 1 1 53 53 LYS CE C 13 42.327 0.2 . 1 . . . . 53 LYS CE . 16311 1 624 . 1 1 53 53 LYS CG C 13 25.127 0.2 . 1 . . . . 53 LYS CG . 16311 1 625 . 1 1 53 53 LYS N N 15 124.403 0.2 . 1 . . . . 53 LYS N . 16311 1 626 . 1 1 54 54 LYS H H 1 8.805 0.02 . 1 . . . . 54 LYS HN . 16311 1 627 . 1 1 54 54 LYS HA H 1 3.692 0.02 . 1 . . . . 54 LYS HA . 16311 1 628 . 1 1 54 54 LYS HB2 H 1 1.143 0.02 . 2 . . . . 54 LYS HB1 . 16311 1 629 . 1 1 54 54 LYS HB3 H 1 0.753 0.02 . 2 . . . . 54 LYS HB2 . 16311 1 630 . 1 1 54 54 LYS HD2 H 1 1.670 0.02 . 2 . . . . 54 LYS HD1 . 16311 1 631 . 1 1 54 54 LYS HD3 H 1 1.670 0.02 . 2 . . . . 54 LYS HD2 . 16311 1 632 . 1 1 54 54 LYS HE2 H 1 2.983 0.02 . 2 . . . . 54 LYS HE1 . 16311 1 633 . 1 1 54 54 LYS HE3 H 1 2.983 0.02 . 2 . . . . 54 LYS HE2 . 16311 1 634 . 1 1 54 54 LYS HG2 H 1 1.355 0.02 . 2 . . . . 54 LYS HG1 . 16311 1 635 . 1 1 54 54 LYS HG3 H 1 1.397 0.02 . 2 . . . . 54 LYS HG2 . 16311 1 636 . 1 1 54 54 LYS C C 13 173.344 0.2 . 1 . . . . 54 LYS C . 16311 1 637 . 1 1 54 54 LYS CA C 13 56.366 0.2 . 1 . . . . 54 LYS CA . 16311 1 638 . 1 1 54 54 LYS CB C 13 29.830 0.2 . 1 . . . . 54 LYS CB . 16311 1 639 . 1 1 54 54 LYS CD C 13 28.670 0.2 . 1 . . . . 54 LYS CD . 16311 1 640 . 1 1 54 54 LYS CE C 13 42.986 0.2 . 1 . . . . 54 LYS CE . 16311 1 641 . 1 1 54 54 LYS CG C 13 24.979 0.2 . 1 . . . . 54 LYS CG . 16311 1 642 . 1 1 54 54 LYS N N 15 118.125 0.2 . 1 . . . . 54 LYS N . 16311 1 643 . 1 1 55 55 ASN H H 1 7.567 0.02 . 1 . . . . 55 ASN HN . 16311 1 644 . 1 1 55 55 ASN HA H 1 4.643 0.02 . 1 . . . . 55 ASN HA . 16311 1 645 . 1 1 55 55 ASN HB2 H 1 1.897 0.02 . 2 . . . . 55 ASN HB1 . 16311 1 646 . 1 1 55 55 ASN HB3 H 1 2.447 0.02 . 2 . . . . 55 ASN HB2 . 16311 1 647 . 1 1 55 55 ASN HD21 H 1 7.715 0.02 . 2 . . . . 55 ASN HD21 . 16311 1 648 . 1 1 55 55 ASN HD22 H 1 7.214 0.02 . 2 . . . . 55 ASN HD22 . 16311 1 649 . 1 1 55 55 ASN C C 13 172.188 0.2 . 1 . . . . 55 ASN C . 16311 1 650 . 1 1 55 55 ASN CA C 13 51.091 0.2 . 1 . . . . 55 ASN CA . 16311 1 651 . 1 1 55 55 ASN CB C 13 37.234 0.2 . 1 . . . . 55 ASN CB . 16311 1 652 . 1 1 55 55 ASN N N 15 123.893 0.2 . 1 . . . . 55 ASN N . 16311 1 653 . 1 1 55 55 ASN ND2 N 15 111.061 0.2 . 1 . . . . 55 ASN ND2 . 16311 1 654 . 1 1 56 56 TYR H H 1 7.584 0.02 . 1 . . . . 56 TYR HN . 16311 1 655 . 1 1 56 56 TYR HA H 1 4.892 0.02 . 1 . . . . 56 TYR HA . 16311 1 656 . 1 1 56 56 TYR HB2 H 1 3.328 0.02 . 2 . . . . 56 TYR HB1 . 16311 1 657 . 1 1 56 56 TYR HB3 H 1 2.821 0.02 . 2 . . . . 56 TYR HB2 . 16311 1 658 . 1 1 56 56 TYR HD1 H 1 6.878 0.02 . 3 . . . . 56 TYR HD1 . 16311 1 659 . 1 1 56 56 TYR HD2 H 1 6.878 0.02 . 3 . . . . 56 TYR HD2 . 16311 1 660 . 1 1 56 56 TYR HE1 H 1 6.834 0.02 . 3 . . . . 56 TYR HE1 . 16311 1 661 . 1 1 56 56 TYR HE2 H 1 6.834 0.02 . 3 . . . . 56 TYR HE2 . 16311 1 662 . 1 1 56 56 TYR C C 13 177.276 0.2 . 1 . . . . 56 TYR C . 16311 1 663 . 1 1 56 56 TYR CA C 13 54.447 0.2 . 1 . . . . 56 TYR CA . 16311 1 664 . 1 1 56 56 TYR CB C 13 38.633 0.2 . 1 . . . . 56 TYR CB . 16311 1 665 . 1 1 56 56 TYR CD1 C 13 132.720 0.2 . 3 . . . . 56 TYR CD1 . 16311 1 666 . 1 1 56 56 TYR CD2 C 13 132.720 0.2 . 3 . . . . 56 TYR CD2 . 16311 1 667 . 1 1 56 56 TYR CE1 C 13 117.480 0.2 . 3 . . . . 56 TYR CE1 . 16311 1 668 . 1 1 56 56 TYR CE2 C 13 117.480 0.2 . 3 . . . . 56 TYR CE2 . 16311 1 669 . 1 1 56 56 TYR N N 15 115.237 0.2 . 1 . . . . 56 TYR N . 16311 1 670 . 1 1 57 57 CYS H H 1 9.149 0.02 . 1 . . . . 57 CYS HN . 16311 1 671 . 1 1 57 57 CYS HA H 1 4.398 0.02 . 1 . . . . 57 CYS HA . 16311 1 672 . 1 1 57 57 CYS HB2 H 1 3.418 0.02 . 2 . . . . 57 CYS HB1 . 16311 1 673 . 1 1 57 57 CYS HB3 H 1 2.404 0.02 . 2 . . . . 57 CYS HB2 . 16311 1 674 . 1 1 57 57 CYS C C 13 175.600 0.2 . 1 . . . . 57 CYS C . 16311 1 675 . 1 1 57 57 CYS CA C 13 59.824 0.2 . 1 . . . . 57 CYS CA . 16311 1 676 . 1 1 57 57 CYS CB C 13 48.356 0.2 . 1 . . . . 57 CYS CB . 16311 1 677 . 1 1 57 57 CYS N N 15 119.273 0.2 . 1 . . . . 57 CYS N . 16311 1 678 . 1 1 58 58 ARG H H 1 9.138 0.02 . 1 . . . . 58 ARG HN . 16311 1 679 . 1 1 58 58 ARG HA H 1 4.918 0.02 . 1 . . . . 58 ARG HA . 16311 1 680 . 1 1 58 58 ARG HB2 H 1 1.484 0.02 . 2 . . . . 58 ARG HB1 . 16311 1 681 . 1 1 58 58 ARG HB3 H 1 1.342 0.02 . 2 . . . . 58 ARG HB2 . 16311 1 682 . 1 1 58 58 ARG HD2 H 1 3.657 0.02 . 2 . . . . 58 ARG HD1 . 16311 1 683 . 1 1 58 58 ARG HD3 H 1 3.035 0.02 . 2 . . . . 58 ARG HD2 . 16311 1 684 . 1 1 58 58 ARG HE H 1 8.011 0.02 . 1 . . . . 58 ARG HE . 16311 1 685 . 1 1 58 58 ARG HG2 H 1 1.885 0.02 . 2 . . . . 58 ARG HG1 . 16311 1 686 . 1 1 58 58 ARG HG3 H 1 1.654 0.02 . 2 . . . . 58 ARG HG2 . 16311 1 687 . 1 1 58 58 ARG C C 13 173.576 0.2 . 1 . . . . 58 ARG C . 16311 1 688 . 1 1 58 58 ARG CA C 13 53.187 0.2 . 1 . . . . 58 ARG CA . 16311 1 689 . 1 1 58 58 ARG CB C 13 29.412 0.2 . 1 . . . . 58 ARG CB . 16311 1 690 . 1 1 58 58 ARG CD C 13 43.453 0.2 . 1 . . . . 58 ARG CD . 16311 1 691 . 1 1 58 58 ARG CG C 13 27.470 0.2 . 1 . . . . 58 ARG CG . 16311 1 692 . 1 1 58 58 ARG N N 15 122.881 0.2 . 1 . . . . 58 ARG N . 16311 1 693 . 1 1 58 58 ARG NE N 15 88.964 0.2 . 1 . . . . 58 ARG NE . 16311 1 694 . 1 1 59 59 ASN H H 1 8.868 0.02 . 1 . . . . 59 ASN HN . 16311 1 695 . 1 1 59 59 ASN HA H 1 5.513 0.02 . 1 . . . . 59 ASN HA . 16311 1 696 . 1 1 59 59 ASN HB2 H 1 3.079 0.02 . 2 . . . . 59 ASN HB1 . 16311 1 697 . 1 1 59 59 ASN HB3 H 1 1.916 0.02 . 2 . . . . 59 ASN HB2 . 16311 1 698 . 1 1 59 59 ASN HD21 H 1 6.895 0.02 . 2 . . . . 59 ASN HD21 . 16311 1 699 . 1 1 59 59 ASN HD22 H 1 6.647 0.02 . 2 . . . . 59 ASN HD22 . 16311 1 700 . 1 1 59 59 ASN C C 13 172.824 0.2 . 1 . . . . 59 ASN C . 16311 1 701 . 1 1 59 59 ASN CA C 13 53.176 0.2 . 1 . . . . 59 ASN CA . 16311 1 702 . 1 1 59 59 ASN CB C 13 37.237 0.2 . 1 . . . . 59 ASN CB . 16311 1 703 . 1 1 59 59 ASN N N 15 113.603 0.2 . 1 . . . . 59 ASN N . 16311 1 704 . 1 1 59 59 ASN ND2 N 15 104.198 0.2 . 1 . . . . 59 ASN ND2 . 16311 1 705 . 1 1 60 60 PRO HA H 1 4.712 0.02 . 1 . . . . 60 PRO HA . 16311 1 706 . 1 1 60 60 PRO HB2 H 1 1.661 0.02 . 2 . . . . 60 PRO HB1 . 16311 1 707 . 1 1 60 60 PRO HB3 H 1 1.761 0.02 . 2 . . . . 60 PRO HB2 . 16311 1 708 . 1 1 60 60 PRO HD2 H 1 3.890 0.02 . 2 . . . . 60 PRO HD1 . 16311 1 709 . 1 1 60 60 PRO HD3 H 1 2.625 0.02 . 2 . . . . 60 PRO HD2 . 16311 1 710 . 1 1 60 60 PRO HG2 H 1 1.890 0.02 . 2 . . . . 60 PRO HG1 . 16311 1 711 . 1 1 60 60 PRO HG3 H 1 1.480 0.02 . 2 . . . . 60 PRO HG2 . 16311 1 712 . 1 1 60 60 PRO C C 13 175.715 0.2 . 1 . . . . 60 PRO C . 16311 1 713 . 1 1 60 60 PRO CA C 13 63.643 0.2 . 1 . . . . 60 PRO CA . 16311 1 714 . 1 1 60 60 PRO CB C 13 32.507 0.2 . 1 . . . . 60 PRO CB . 16311 1 715 . 1 1 60 60 PRO CD C 13 51.520 0.2 . 1 . . . . 60 PRO CD . 16311 1 716 . 1 1 60 60 PRO CG C 13 26.896 0.2 . 1 . . . . 60 PRO CG . 16311 1 717 . 1 1 61 61 ASP H H 1 8.883 0.02 . 1 . . . . 61 ASP HN . 16311 1 718 . 1 1 61 61 ASP HA H 1 4.495 0.02 . 1 . . . . 61 ASP HA . 16311 1 719 . 1 1 61 61 ASP HB2 H 1 3.122 0.02 . 2 . . . . 61 ASP HB1 . 16311 1 720 . 1 1 61 61 ASP HB3 H 1 2.298 0.02 . 2 . . . . 61 ASP HB2 . 16311 1 721 . 1 1 61 61 ASP C C 13 174.848 0.2 . 1 . . . . 61 ASP C . 16311 1 722 . 1 1 61 61 ASP CA C 13 51.953 0.2 . 1 . . . . 61 ASP CA . 16311 1 723 . 1 1 61 61 ASP CB C 13 42.092 0.2 . 1 . . . . 61 ASP CB . 16311 1 724 . 1 1 61 61 ASP N N 15 118.660 0.2 . 1 . . . . 61 ASP N . 16311 1 725 . 1 1 62 62 ARG H H 1 8.395 0.02 . 1 . . . . 62 ARG HN . 16311 1 726 . 1 1 62 62 ARG HA H 1 3.789 0.02 . 1 . . . . 62 ARG HA . 16311 1 727 . 1 1 62 62 ARG HB2 H 1 1.876 0.02 . 2 . . . . 62 ARG HB1 . 16311 1 728 . 1 1 62 62 ARG HB3 H 1 1.926 0.02 . 2 . . . . 62 ARG HB2 . 16311 1 729 . 1 1 62 62 ARG HD2 H 1 3.166 0.02 . 2 . . . . 62 ARG HD1 . 16311 1 730 . 1 1 62 62 ARG HD3 H 1 3.166 0.02 . 2 . . . . 62 ARG HD2 . 16311 1 731 . 1 1 62 62 ARG HE H 1 7.259 0.02 . 1 . . . . 62 ARG HE . 16311 1 732 . 1 1 62 62 ARG HG2 H 1 1.495 0.02 . 2 . . . . 62 ARG HG1 . 16311 1 733 . 1 1 62 62 ARG HG3 H 1 1.495 0.02 . 2 . . . . 62 ARG HG2 . 16311 1 734 . 1 1 62 62 ARG C C 13 176.236 0.2 . 1 . . . . 62 ARG C . 16311 1 735 . 1 1 62 62 ARG CA C 13 57.318 0.2 . 1 . . . . 62 ARG CA . 16311 1 736 . 1 1 62 62 ARG CB C 13 26.990 0.2 . 1 . . . . 62 ARG CB . 16311 1 737 . 1 1 62 62 ARG CD C 13 43.792 0.2 . 1 . . . . 62 ARG CD . 16311 1 738 . 1 1 62 62 ARG CG C 13 27.921 0.2 . 1 . . . . 62 ARG CG . 16311 1 739 . 1 1 62 62 ARG N N 15 116.013 0.2 . 1 . . . . 62 ARG N . 16311 1 740 . 1 1 62 62 ARG NE N 15 85.559 0.2 . 1 . . . . 62 ARG NE . 16311 1 741 . 1 1 63 63 ASP H H 1 9.735 0.02 . 1 . . . . 63 ASP HN . 16311 1 742 . 1 1 63 63 ASP HA H 1 4.769 0.02 . 1 . . . . 63 ASP HA . 16311 1 743 . 1 1 63 63 ASP HB2 H 1 3.279 0.02 . 2 . . . . 63 ASP HB1 . 16311 1 744 . 1 1 63 63 ASP HB3 H 1 2.926 0.02 . 2 . . . . 63 ASP HB2 . 16311 1 745 . 1 1 63 63 ASP C C 13 177.334 0.2 . 1 . . . . 63 ASP C . 16311 1 746 . 1 1 63 63 ASP CA C 13 51.973 0.2 . 1 . . . . 63 ASP CA . 16311 1 747 . 1 1 63 63 ASP CB C 13 42.698 0.2 . 1 . . . . 63 ASP CB . 16311 1 748 . 1 1 63 63 ASP N N 15 121.799 0.2 . 1 . . . . 63 ASP N . 16311 1 749 . 1 1 64 64 LEU H H 1 10.919 0.02 . 1 . . . . 64 LEU HN . 16311 1 750 . 1 1 64 64 LEU HA H 1 3.995 0.02 . 1 . . . . 64 LEU HA . 16311 1 751 . 1 1 64 64 LEU HB2 H 1 1.390 0.02 . 2 . . . . 64 LEU HB1 . 16311 1 752 . 1 1 64 64 LEU HB3 H 1 1.416 0.02 . 2 . . . . 64 LEU HB2 . 16311 1 753 . 1 1 64 64 LEU HD11 H 1 0.954 0.02 . 2 . . . . 64 LEU HD1 . 16311 1 754 . 1 1 64 64 LEU HD12 H 1 0.954 0.02 . 2 . . . . 64 LEU HD1 . 16311 1 755 . 1 1 64 64 LEU HD13 H 1 0.954 0.02 . 2 . . . . 64 LEU HD1 . 16311 1 756 . 1 1 64 64 LEU HD21 H 1 0.899 0.02 . 2 . . . . 64 LEU HD2 . 16311 1 757 . 1 1 64 64 LEU HD22 H 1 0.899 0.02 . 2 . . . . 64 LEU HD2 . 16311 1 758 . 1 1 64 64 LEU HD23 H 1 0.899 0.02 . 2 . . . . 64 LEU HD2 . 16311 1 759 . 1 1 64 64 LEU HG H 1 1.841 0.02 . 1 . . . . 64 LEU HG . 16311 1 760 . 1 1 64 64 LEU C C 13 176.467 0.2 . 1 . . . . 64 LEU C . 16311 1 761 . 1 1 64 64 LEU CA C 13 57.772 0.2 . 1 . . . . 64 LEU CA . 16311 1 762 . 1 1 64 64 LEU CB C 13 43.630 0.2 . 1 . . . . 64 LEU CB . 16311 1 763 . 1 1 64 64 LEU CD1 C 13 25.238 0.2 . 2 . . . . 64 LEU CD1 . 16311 1 764 . 1 1 64 64 LEU CD2 C 13 23.020 0.2 . 2 . . . . 64 LEU CD2 . 16311 1 765 . 1 1 64 64 LEU CG C 13 27.468 0.2 . 1 . . . . 64 LEU CG . 16311 1 766 . 1 1 64 64 LEU N N 15 121.789 0.2 . 1 . . . . 64 LEU N . 16311 1 767 . 1 1 65 65 ARG H H 1 7.633 0.02 . 1 . . . . 65 ARG HN . 16311 1 768 . 1 1 65 65 ARG HA H 1 5.006 0.02 . 1 . . . . 65 ARG HA . 16311 1 769 . 1 1 65 65 ARG HB2 H 1 2.097 0.02 . 2 . . . . 65 ARG HB1 . 16311 1 770 . 1 1 65 65 ARG HB3 H 1 1.808 0.02 . 2 . . . . 65 ARG HB2 . 16311 1 771 . 1 1 65 65 ARG HD2 H 1 3.461 0.02 . 2 . . . . 65 ARG HD1 . 16311 1 772 . 1 1 65 65 ARG HD3 H 1 3.085 0.02 . 2 . . . . 65 ARG HD2 . 16311 1 773 . 1 1 65 65 ARG HE H 1 7.289 0.02 . 1 . . . . 65 ARG HE . 16311 1 774 . 1 1 65 65 ARG HG2 H 1 1.217 0.02 . 2 . . . . 65 ARG HG1 . 16311 1 775 . 1 1 65 65 ARG HG3 H 1 1.545 0.02 . 2 . . . . 65 ARG HG2 . 16311 1 776 . 1 1 65 65 ARG C C 13 172.130 0.2 . 1 . . . . 65 ARG C . 16311 1 777 . 1 1 65 65 ARG CA C 13 53.368 0.2 . 1 . . . . 65 ARG CA . 16311 1 778 . 1 1 65 65 ARG CB C 13 28.429 0.2 . 1 . . . . 65 ARG CB . 16311 1 779 . 1 1 65 65 ARG CD C 13 43.126 0.2 . 1 . . . . 65 ARG CD . 16311 1 780 . 1 1 65 65 ARG CG C 13 26.235 0.2 . 1 . . . . 65 ARG CG . 16311 1 781 . 1 1 65 65 ARG N N 15 108.790 0.2 . 1 . . . . 65 ARG N . 16311 1 782 . 1 1 65 65 ARG NE N 15 84.823 0.2 . 1 . . . . 65 ARG NE . 16311 1 783 . 1 1 66 66 PRO HA H 1 4.281 0.02 . 1 . . . . 66 PRO HA . 16311 1 784 . 1 1 66 66 PRO HB2 H 1 1.475 0.02 . 2 . . . . 66 PRO HB1 . 16311 1 785 . 1 1 66 66 PRO HB3 H 1 1.768 0.02 . 2 . . . . 66 PRO HB2 . 16311 1 786 . 1 1 66 66 PRO HD2 H 1 3.115 0.02 . 2 . . . . 66 PRO HD1 . 16311 1 787 . 1 1 66 66 PRO HD3 H 1 4.028 0.02 . 2 . . . . 66 PRO HD2 . 16311 1 788 . 1 1 66 66 PRO HG2 H 1 1.908 0.02 . 2 . . . . 66 PRO HG1 . 16311 1 789 . 1 1 66 66 PRO HG3 H 1 1.481 0.02 . 2 . . . . 66 PRO HG2 . 16311 1 790 . 1 1 66 66 PRO C C 13 172.940 0.2 . 1 . . . . 66 PRO C . 16311 1 791 . 1 1 66 66 PRO CA C 13 63.677 0.2 . 1 . . . . 66 PRO CA . 16311 1 792 . 1 1 66 66 PRO CB C 13 32.592 0.2 . 1 . . . . 66 PRO CB . 16311 1 793 . 1 1 66 66 PRO CD C 13 50.735 0.2 . 1 . . . . 66 PRO CD . 16311 1 794 . 1 1 66 66 PRO CG C 13 27.875 0.2 . 1 . . . . 66 PRO CG . 16311 1 795 . 1 1 67 67 TRP H H 1 8.716 0.02 . 1 . . . . 67 TRP HN . 16311 1 796 . 1 1 67 67 TRP HA H 1 5.406 0.02 . 1 . . . . 67 TRP HA . 16311 1 797 . 1 1 67 67 TRP HB2 H 1 3.343 0.02 . 2 . . . . 67 TRP HB1 . 16311 1 798 . 1 1 67 67 TRP HB3 H 1 3.343 0.02 . 2 . . . . 67 TRP HB2 . 16311 1 799 . 1 1 67 67 TRP HD1 H 1 7.714 0.02 . 1 . . . . 67 TRP HD1 . 16311 1 800 . 1 1 67 67 TRP HE1 H 1 10.169 0.02 . 1 . . . . 67 TRP HE1 . 16311 1 801 . 1 1 67 67 TRP HE3 H 1 7.491 0.02 . 1 . . . . 67 TRP HE3 . 16311 1 802 . 1 1 67 67 TRP HH2 H 1 7.406 0.02 . 1 . . . . 67 TRP HH2 . 16311 1 803 . 1 1 67 67 TRP HZ2 H 1 6.783 0.02 . 1 . . . . 67 TRP HZ2 . 16311 1 804 . 1 1 67 67 TRP HZ3 H 1 6.659 0.02 . 1 . . . . 67 TRP HZ3 . 16311 1 805 . 1 1 67 67 TRP C C 13 172.919 0.2 . 1 . . . . 67 TRP C . 16311 1 806 . 1 1 67 67 TRP CA C 13 56.035 0.2 . 1 . . . . 67 TRP CA . 16311 1 807 . 1 1 67 67 TRP CB C 13 34.026 0.2 . 1 . . . . 67 TRP CB . 16311 1 808 . 1 1 67 67 TRP CD1 C 13 128.232 0.2 . 1 . . . . 67 TRP CD1 . 16311 1 809 . 1 1 67 67 TRP CE3 C 13 121.210 0.2 . 1 . . . . 67 TRP CE3 . 16311 1 810 . 1 1 67 67 TRP CH2 C 13 123.905 0.2 . 1 . . . . 67 TRP CH2 . 16311 1 811 . 1 1 67 67 TRP CZ2 C 13 116.022 0.2 . 1 . . . . 67 TRP CZ2 . 16311 1 812 . 1 1 67 67 TRP CZ3 C 13 118.907 0.2 . 1 . . . . 67 TRP CZ3 . 16311 1 813 . 1 1 67 67 TRP N N 15 121.250 0.2 . 1 . . . . 67 TRP N . 16311 1 814 . 1 1 67 67 TRP NE1 N 15 129.596 0.2 . 1 . . . . 67 TRP NE1 . 16311 1 815 . 1 1 68 68 CYS H H 1 8.384 0.02 . 1 . . . . 68 CYS HN . 16311 1 816 . 1 1 68 68 CYS HA H 1 4.265 0.02 . 1 . . . . 68 CYS HA . 16311 1 817 . 1 1 68 68 CYS HB2 H 1 3.320 0.02 . 2 . . . . 68 CYS HB1 . 16311 1 818 . 1 1 68 68 CYS HB3 H 1 2.896 0.02 . 2 . . . . 68 CYS HB2 . 16311 1 819 . 1 1 68 68 CYS C C 13 175.079 0.2 . 1 . . . . 68 CYS C . 16311 1 820 . 1 1 68 68 CYS CA C 13 55.876 0.2 . 1 . . . . 68 CYS CA . 16311 1 821 . 1 1 68 68 CYS CB C 13 42.232 0.2 . 1 . . . . 68 CYS CB . 16311 1 822 . 1 1 68 68 CYS N N 15 109.624 0.2 . 1 . . . . 68 CYS N . 16311 1 823 . 1 1 69 69 PHE H H 1 8.031 0.02 . 1 . . . . 69 PHE HN . 16311 1 824 . 1 1 69 69 PHE HA H 1 5.420 0.02 . 1 . . . . 69 PHE HA . 16311 1 825 . 1 1 69 69 PHE HB2 H 1 2.957 0.02 . 2 . . . . 69 PHE HB1 . 16311 1 826 . 1 1 69 69 PHE HB3 H 1 2.363 0.02 . 2 . . . . 69 PHE HB2 . 16311 1 827 . 1 1 69 69 PHE HD1 H 1 7.165 0.02 . 3 . . . . 69 PHE HD1 . 16311 1 828 . 1 1 69 69 PHE HD2 H 1 7.165 0.02 . 3 . . . . 69 PHE HD2 . 16311 1 829 . 1 1 69 69 PHE HE1 H 1 7.260 0.02 . 3 . . . . 69 PHE HE1 . 16311 1 830 . 1 1 69 69 PHE HE2 H 1 7.260 0.02 . 3 . . . . 69 PHE HE2 . 16311 1 831 . 1 1 69 69 PHE HZ H 1 7.485 0.02 . 1 . . . . 69 PHE HZ . 16311 1 832 . 1 1 69 69 PHE C C 13 176.814 0.2 . 1 . . . . 69 PHE C . 16311 1 833 . 1 1 69 69 PHE CA C 13 59.299 0.2 . 1 . . . . 69 PHE CA . 16311 1 834 . 1 1 69 69 PHE CB C 13 38.411 0.2 . 1 . . . . 69 PHE CB . 16311 1 835 . 1 1 69 69 PHE CD1 C 13 132.507 0.2 . 3 . . . . 69 PHE CD1 . 16311 1 836 . 1 1 69 69 PHE CD2 C 13 132.507 0.2 . 3 . . . . 69 PHE CD2 . 16311 1 837 . 1 1 69 69 PHE CE1 C 13 132.026 0.2 . 3 . . . . 69 PHE CE1 . 16311 1 838 . 1 1 69 69 PHE CE2 C 13 132.026 0.2 . 3 . . . . 69 PHE CE2 . 16311 1 839 . 1 1 69 69 PHE CZ C 13 131.726 0.2 . 1 . . . . 69 PHE CZ . 16311 1 840 . 1 1 69 69 PHE N N 15 120.433 0.2 . 1 . . . . 69 PHE N . 16311 1 841 . 1 1 70 70 THR H H 1 8.002 0.02 . 1 . . . . 70 THR HN . 16311 1 842 . 1 1 70 70 THR HA H 1 5.408 0.02 . 1 . . . . 70 THR HA . 16311 1 843 . 1 1 70 70 THR HB H 1 4.300 0.02 . 1 . . . . 70 THR HB . 16311 1 844 . 1 1 70 70 THR HG1 H 1 6.205 0.02 . 1 . . . . 70 THR HG1 . 16311 1 845 . 1 1 70 70 THR HG21 H 1 0.966 0.02 . 1 . . . . 70 THR HG2 . 16311 1 846 . 1 1 70 70 THR HG22 H 1 0.966 0.02 . 1 . . . . 70 THR HG2 . 16311 1 847 . 1 1 70 70 THR HG23 H 1 0.966 0.02 . 1 . . . . 70 THR HG2 . 16311 1 848 . 1 1 70 70 THR C C 13 173.518 0.2 . 1 . . . . 70 THR C . 16311 1 849 . 1 1 70 70 THR CA C 13 61.208 0.2 . 1 . . . . 70 THR CA . 16311 1 850 . 1 1 70 70 THR CB C 13 70.441 0.2 . 1 . . . . 70 THR CB . 16311 1 851 . 1 1 70 70 THR CG2 C 13 21.866 0.2 . 1 . . . . 70 THR CG2 . 16311 1 852 . 1 1 70 70 THR N N 15 112.351 0.2 . 1 . . . . 70 THR N . 16311 1 853 . 1 1 71 71 THR H H 1 8.126 0.02 . 1 . . . . 71 THR HN . 16311 1 854 . 1 1 71 71 THR HA H 1 4.037 0.02 . 1 . . . . 71 THR HA . 16311 1 855 . 1 1 71 71 THR HB H 1 4.529 0.02 . 1 . . . . 71 THR HB . 16311 1 856 . 1 1 71 71 THR HG1 H 1 6.203 0.02 . 1 . . . . 71 THR HG1 . 16311 1 857 . 1 1 71 71 THR HG21 H 1 1.151 0.02 . 1 . . . . 71 THR HG2 . 16311 1 858 . 1 1 71 71 THR HG22 H 1 1.151 0.02 . 1 . . . . 71 THR HG2 . 16311 1 859 . 1 1 71 71 THR HG23 H 1 1.151 0.02 . 1 . . . . 71 THR HG2 . 16311 1 860 . 1 1 71 71 THR C C 13 174.903 0.2 . 1 . . . . 71 THR C . 16311 1 861 . 1 1 71 71 THR CA C 13 62.413 0.2 . 1 . . . . 71 THR CA . 16311 1 862 . 1 1 71 71 THR CB C 13 69.167 0.2 . 1 . . . . 71 THR CB . 16311 1 863 . 1 1 71 71 THR CG2 C 13 21.845 0.2 . 1 . . . . 71 THR CG2 . 16311 1 864 . 1 1 71 71 THR N N 15 104.863 0.2 . 1 . . . . 71 THR N . 16311 1 865 . 1 1 72 72 ASP H H 1 9.024 0.02 . 1 . . . . 72 ASP HN . 16311 1 866 . 1 1 72 72 ASP HA H 1 4.936 0.02 . 1 . . . . 72 ASP HA . 16311 1 867 . 1 1 72 72 ASP HB2 H 1 3.044 0.02 . 2 . . . . 72 ASP HB1 . 16311 1 868 . 1 1 72 72 ASP HB3 H 1 2.582 0.02 . 2 . . . . 72 ASP HB2 . 16311 1 869 . 1 1 72 72 ASP C C 13 176.929 0.2 . 1 . . . . 72 ASP C . 16311 1 870 . 1 1 72 72 ASP CA C 13 51.333 0.2 . 1 . . . . 72 ASP CA . 16311 1 871 . 1 1 72 72 ASP CB C 13 43.416 0.2 . 1 . . . . 72 ASP CB . 16311 1 872 . 1 1 72 72 ASP N N 15 126.242 0.2 . 1 . . . . 72 ASP N . 16311 1 873 . 1 1 73 73 PRO HA H 1 3.962 0.02 . 1 . . . . 73 PRO HA . 16311 1 874 . 1 1 73 73 PRO HB2 H 1 2.279 0.02 . 2 . . . . 73 PRO HB1 . 16311 1 875 . 1 1 73 73 PRO HB3 H 1 1.887 0.02 . 2 . . . . 73 PRO HB2 . 16311 1 876 . 1 1 73 73 PRO HD2 H 1 4.128 0.02 . 2 . . . . 73 PRO HD1 . 16311 1 877 . 1 1 73 73 PRO HD3 H 1 3.930 0.02 . 2 . . . . 73 PRO HD2 . 16311 1 878 . 1 1 73 73 PRO HG2 H 1 1.908 0.02 . 2 . . . . 73 PRO HG1 . 16311 1 879 . 1 1 73 73 PRO HG3 H 1 2.035 0.02 . 2 . . . . 73 PRO HG2 . 16311 1 880 . 1 1 73 73 PRO C C 13 177.045 0.2 . 1 . . . . 73 PRO C . 16311 1 881 . 1 1 73 73 PRO CA C 13 64.632 0.2 . 1 . . . . 73 PRO CA . 16311 1 882 . 1 1 73 73 PRO CB C 13 32.460 0.2 . 1 . . . . 73 PRO CB . 16311 1 883 . 1 1 73 73 PRO CD C 13 51.230 0.2 . 1 . . . . 73 PRO CD . 16311 1 884 . 1 1 73 73 PRO CG C 13 27.475 0.2 . 1 . . . . 73 PRO CG . 16311 1 885 . 1 1 74 74 ASN H H 1 8.943 0.02 . 1 . . . . 74 ASN HN . 16311 1 886 . 1 1 74 74 ASN HA H 1 4.854 0.02 . 1 . . . . 74 ASN HA . 16311 1 887 . 1 1 74 74 ASN HB2 H 1 2.866 0.02 . 2 . . . . 74 ASN HB1 . 16311 1 888 . 1 1 74 74 ASN HB3 H 1 2.701 0.02 . 2 . . . . 74 ASN HB2 . 16311 1 889 . 1 1 74 74 ASN HD21 H 1 7.948 0.02 . 2 . . . . 74 ASN HD21 . 16311 1 890 . 1 1 74 74 ASN HD22 H 1 6.977 0.02 . 2 . . . . 74 ASN HD22 . 16311 1 891 . 1 1 74 74 ASN C C 13 174.443 0.2 . 1 . . . . 74 ASN C . 16311 1 892 . 1 1 74 74 ASN CA C 13 53.380 0.2 . 1 . . . . 74 ASN CA . 16311 1 893 . 1 1 74 74 ASN CB C 13 39.333 0.2 . 1 . . . . 74 ASN CB . 16311 1 894 . 1 1 74 74 ASN N N 15 114.144 0.2 . 1 . . . . 74 ASN N . 16311 1 895 . 1 1 74 74 ASN ND2 N 15 115.316 0.2 . 1 . . . . 74 ASN ND2 . 16311 1 896 . 1 1 75 75 LYS H H 1 7.795 0.02 . 1 . . . . 75 LYS HN . 16311 1 897 . 1 1 75 75 LYS HA H 1 4.571 0.02 . 1 . . . . 75 LYS HA . 16311 1 898 . 1 1 75 75 LYS HB2 H 1 1.332 0.02 . 2 . . . . 75 LYS HB1 . 16311 1 899 . 1 1 75 75 LYS HB3 H 1 1.721 0.02 . 2 . . . . 75 LYS HB2 . 16311 1 900 . 1 1 75 75 LYS HD2 H 1 1.503 0.02 . 2 . . . . 75 LYS HD1 . 16311 1 901 . 1 1 75 75 LYS HD3 H 1 1.503 0.02 . 2 . . . . 75 LYS HD2 . 16311 1 902 . 1 1 75 75 LYS HE2 H 1 2.806 0.02 . 2 . . . . 75 LYS HE1 . 16311 1 903 . 1 1 75 75 LYS HE3 H 1 2.806 0.02 . 2 . . . . 75 LYS HE2 . 16311 1 904 . 1 1 75 75 LYS HG2 H 1 0.945 0.02 . 2 . . . . 75 LYS HG1 . 16311 1 905 . 1 1 75 75 LYS HG3 H 1 1.040 0.02 . 2 . . . . 75 LYS HG2 . 16311 1 906 . 1 1 75 75 LYS C C 13 173.402 0.2 . 1 . . . . 75 LYS C . 16311 1 907 . 1 1 75 75 LYS CA C 13 54.154 0.2 . 1 . . . . 75 LYS CA . 16311 1 908 . 1 1 75 75 LYS CB C 13 32.186 0.2 . 1 . . . . 75 LYS CB . 16311 1 909 . 1 1 75 75 LYS CD C 13 28.040 0.2 . 1 . . . . 75 LYS CD . 16311 1 910 . 1 1 75 75 LYS CE C 13 41.727 0.2 . 1 . . . . 75 LYS CE . 16311 1 911 . 1 1 75 75 LYS CG C 13 23.959 0.2 . 1 . . . . 75 LYS CG . 16311 1 912 . 1 1 75 75 LYS N N 15 122.835 0.2 . 1 . . . . 75 LYS N . 16311 1 913 . 1 1 76 76 ARG H H 1 9.132 0.02 . 1 . . . . 76 ARG HN . 16311 1 914 . 1 1 76 76 ARG HA H 1 4.555 0.02 . 1 . . . . 76 ARG HA . 16311 1 915 . 1 1 76 76 ARG HB2 H 1 1.980 0.02 . 2 . . . . 76 ARG HB1 . 16311 1 916 . 1 1 76 76 ARG HB3 H 1 1.718 0.02 . 2 . . . . 76 ARG HB2 . 16311 1 917 . 1 1 76 76 ARG HD2 H 1 3.474 0.02 . 2 . . . . 76 ARG HD1 . 16311 1 918 . 1 1 76 76 ARG HD3 H 1 3.474 0.02 . 2 . . . . 76 ARG HD2 . 16311 1 919 . 1 1 76 76 ARG HE H 1 7.950 0.02 . 1 . . . . 76 ARG HE . 16311 1 920 . 1 1 76 76 ARG HG2 H 1 1.649 0.02 . 2 . . . . 76 ARG HG1 . 16311 1 921 . 1 1 76 76 ARG HG3 H 1 1.649 0.02 . 2 . . . . 76 ARG HG2 . 16311 1 922 . 1 1 76 76 ARG C C 13 175.137 0.2 . 1 . . . . 76 ARG C . 16311 1 923 . 1 1 76 76 ARG CA C 13 60.532 0.2 . 1 . . . . 76 ARG CA . 16311 1 924 . 1 1 76 76 ARG CB C 13 29.307 0.2 . 1 . . . . 76 ARG CB . 16311 1 925 . 1 1 76 76 ARG CD C 13 43.210 0.2 . 1 . . . . 76 ARG CD . 16311 1 926 . 1 1 76 76 ARG CG C 13 28.670 0.2 . 1 . . . . 76 ARG CG . 16311 1 927 . 1 1 76 76 ARG N N 15 129.676 0.2 . 1 . . . . 76 ARG N . 16311 1 928 . 1 1 76 76 ARG NE N 15 85.375 0.2 . 1 . . . . 76 ARG NE . 16311 1 929 . 1 1 77 77 TRP H H 1 7.559 0.02 . 1 . . . . 77 TRP HN . 16311 1 930 . 1 1 77 77 TRP HA H 1 5.357 0.02 . 1 . . . . 77 TRP HA . 16311 1 931 . 1 1 77 77 TRP HB2 H 1 2.908 0.02 . 2 . . . . 77 TRP HB1 . 16311 1 932 . 1 1 77 77 TRP HB3 H 1 2.543 0.02 . 2 . . . . 77 TRP HB2 . 16311 1 933 . 1 1 77 77 TRP HD1 H 1 6.956 0.02 . 1 . . . . 77 TRP HD1 . 16311 1 934 . 1 1 77 77 TRP HE1 H 1 9.433 0.02 . 1 . . . . 77 TRP HE1 . 16311 1 935 . 1 1 77 77 TRP HE3 H 1 7.672 0.02 . 1 . . . . 77 TRP HE3 . 16311 1 936 . 1 1 77 77 TRP HH2 H 1 6.839 0.02 . 1 . . . . 77 TRP HH2 . 16311 1 937 . 1 1 77 77 TRP HZ2 H 1 6.772 0.02 . 1 . . . . 77 TRP HZ2 . 16311 1 938 . 1 1 77 77 TRP HZ3 H 1 6.742 0.02 . 1 . . . . 77 TRP HZ3 . 16311 1 939 . 1 1 77 77 TRP C C 13 172.940 0.2 . 1 . . . . 77 TRP C . 16311 1 940 . 1 1 77 77 TRP CA C 13 55.044 0.2 . 1 . . . . 77 TRP CA . 16311 1 941 . 1 1 77 77 TRP CB C 13 31.951 0.2 . 1 . . . . 77 TRP CB . 16311 1 942 . 1 1 77 77 TRP CD1 C 13 127.541 0.2 . 1 . . . . 77 TRP CD1 . 16311 1 943 . 1 1 77 77 TRP CE3 C 13 120.538 0.2 . 1 . . . . 77 TRP CE3 . 16311 1 944 . 1 1 77 77 TRP CH2 C 13 124.252 0.2 . 1 . . . . 77 TRP CH2 . 16311 1 945 . 1 1 77 77 TRP CZ2 C 13 115.366 0.2 . 1 . . . . 77 TRP CZ2 . 16311 1 946 . 1 1 77 77 TRP CZ3 C 13 121.950 0.2 . 1 . . . . 77 TRP CZ3 . 16311 1 947 . 1 1 77 77 TRP N N 15 109.174 0.2 . 1 . . . . 77 TRP N . 16311 1 948 . 1 1 77 77 TRP NE1 N 15 130.528 0.2 . 1 . . . . 77 TRP NE1 . 16311 1 949 . 1 1 78 78 GLU H H 1 8.638 0.02 . 1 . . . . 78 GLU HN . 16311 1 950 . 1 1 78 78 GLU HA H 1 3.671 0.02 . 1 . . . . 78 GLU HA . 16311 1 951 . 1 1 78 78 GLU HB2 H 1 1.906 0.02 . 2 . . . . 78 GLU HB1 . 16311 1 952 . 1 1 78 78 GLU HB3 H 1 1.670 0.02 . 2 . . . . 78 GLU HB2 . 16311 1 953 . 1 1 78 78 GLU HG2 H 1 2.823 0.02 . 2 . . . . 78 GLU HG1 . 16311 1 954 . 1 1 78 78 GLU HG3 H 1 2.228 0.02 . 2 . . . . 78 GLU HG2 . 16311 1 955 . 1 1 78 78 GLU C C 13 174.501 0.2 . 1 . . . . 78 GLU C . 16311 1 956 . 1 1 78 78 GLU CA C 13 55.659 0.2 . 1 . . . . 78 GLU CA . 16311 1 957 . 1 1 78 78 GLU CB C 13 34.557 0.2 . 1 . . . . 78 GLU CB . 16311 1 958 . 1 1 78 78 GLU CG C 13 37.656 0.2 . 1 . . . . 78 GLU CG . 16311 1 959 . 1 1 78 78 GLU N N 15 118.907 0.2 . 1 . . . . 78 GLU N . 16311 1 960 . 1 1 79 79 TYR H H 1 7.636 0.02 . 1 . . . . 79 TYR HN . 16311 1 961 . 1 1 79 79 TYR HA H 1 4.995 0.02 . 1 . . . . 79 TYR HA . 16311 1 962 . 1 1 79 79 TYR HB2 H 1 3.318 0.02 . 2 . . . . 79 TYR HB1 . 16311 1 963 . 1 1 79 79 TYR HB3 H 1 2.847 0.02 . 2 . . . . 79 TYR HB2 . 16311 1 964 . 1 1 79 79 TYR HD1 H 1 6.897 0.02 . 3 . . . . 79 TYR HD1 . 16311 1 965 . 1 1 79 79 TYR HD2 H 1 6.897 0.02 . 3 . . . . 79 TYR HD2 . 16311 1 966 . 1 1 79 79 TYR HE1 H 1 6.914 0.02 . 3 . . . . 79 TYR HE1 . 16311 1 967 . 1 1 79 79 TYR HE2 H 1 6.914 0.02 . 3 . . . . 79 TYR HE2 . 16311 1 968 . 1 1 79 79 TYR C C 13 175.889 0.2 . 1 . . . . 79 TYR C . 16311 1 969 . 1 1 79 79 TYR CA C 13 60.120 0.2 . 1 . . . . 79 TYR CA . 16311 1 970 . 1 1 79 79 TYR CB C 13 39.789 0.2 . 1 . . . . 79 TYR CB . 16311 1 971 . 1 1 79 79 TYR CD1 C 13 132.548 0.2 . 3 . . . . 79 TYR CD1 . 16311 1 972 . 1 1 79 79 TYR CD2 C 13 132.548 0.2 . 3 . . . . 79 TYR CD2 . 16311 1 973 . 1 1 79 79 TYR CE1 C 13 117.485 0.2 . 3 . . . . 79 TYR CE1 . 16311 1 974 . 1 1 79 79 TYR CE2 C 13 117.485 0.2 . 3 . . . . 79 TYR CE2 . 16311 1 975 . 1 1 79 79 TYR N N 15 119.277 0.2 . 1 . . . . 79 TYR N . 16311 1 976 . 1 1 80 80 CYS H H 1 9.398 0.02 . 1 . . . . 80 CYS HN . 16311 1 977 . 1 1 80 80 CYS HA H 1 4.720 0.02 . 1 . . . . 80 CYS HA . 16311 1 978 . 1 1 80 80 CYS HB2 H 1 2.983 0.02 . 2 . . . . 80 CYS HB1 . 16311 1 979 . 1 1 80 80 CYS HB3 H 1 3.148 0.02 . 2 . . . . 80 CYS HB2 . 16311 1 980 . 1 1 80 80 CYS C C 13 172.419 0.2 . 1 . . . . 80 CYS C . 16311 1 981 . 1 1 80 80 CYS CA C 13 54.618 0.2 . 1 . . . . 80 CYS CA . 16311 1 982 . 1 1 80 80 CYS CB C 13 46.736 0.2 . 1 . . . . 80 CYS CB . 16311 1 983 . 1 1 80 80 CYS N N 15 118.623 0.2 . 1 . . . . 80 CYS N . 16311 1 984 . 1 1 81 81 ASP H H 1 9.729 0.02 . 1 . . . . 81 ASP HN . 16311 1 985 . 1 1 81 81 ASP HA H 1 4.781 0.02 . 1 . . . . 81 ASP HA . 16311 1 986 . 1 1 81 81 ASP HB2 H 1 2.772 0.02 . 2 . . . . 81 ASP HB1 . 16311 1 987 . 1 1 81 81 ASP HB3 H 1 2.231 0.02 . 2 . . . . 81 ASP HB2 . 16311 1 988 . 1 1 81 81 ASP C C 13 173.576 0.2 . 1 . . . . 81 ASP C . 16311 1 989 . 1 1 81 81 ASP CA C 13 52.855 0.2 . 1 . . . . 81 ASP CA . 16311 1 990 . 1 1 81 81 ASP CB C 13 40.733 0.2 . 1 . . . . 81 ASP CB . 16311 1 991 . 1 1 81 81 ASP N N 15 124.777 0.2 . 1 . . . . 81 ASP N . 16311 1 992 . 1 1 82 82 ILE H H 1 7.820 0.02 . 1 . . . . 82 ILE HN . 16311 1 993 . 1 1 82 82 ILE HA H 1 4.320 0.02 . 1 . . . . 82 ILE HA . 16311 1 994 . 1 1 82 82 ILE HB H 1 1.846 0.02 . 1 . . . . 82 ILE HB . 16311 1 995 . 1 1 82 82 ILE HD11 H 1 0.370 0.02 . 1 . . . . 82 ILE HD1 . 16311 1 996 . 1 1 82 82 ILE HD12 H 1 0.370 0.02 . 1 . . . . 82 ILE HD1 . 16311 1 997 . 1 1 82 82 ILE HD13 H 1 0.370 0.02 . 1 . . . . 82 ILE HD1 . 16311 1 998 . 1 1 82 82 ILE HG12 H 1 0.720 0.02 . 2 . . . . 82 ILE HG11 . 16311 1 999 . 1 1 82 82 ILE HG13 H 1 1.123 0.02 . 2 . . . . 82 ILE HG12 . 16311 1 1000 . 1 1 82 82 ILE HG21 H 1 0.410 0.02 . 1 . . . . 82 ILE HG2 . 16311 1 1001 . 1 1 82 82 ILE HG22 H 1 0.410 0.02 . 1 . . . . 82 ILE HG2 . 16311 1 1002 . 1 1 82 82 ILE HG23 H 1 0.410 0.02 . 1 . . . . 82 ILE HG2 . 16311 1 1003 . 1 1 82 82 ILE C C 13 173.923 0.2 . 1 . . . . 82 ILE C . 16311 1 1004 . 1 1 82 82 ILE CA C 13 56.118 0.2 . 1 . . . . 82 ILE CA . 16311 1 1005 . 1 1 82 82 ILE CB C 13 38.166 0.2 . 1 . . . . 82 ILE CB . 16311 1 1006 . 1 1 82 82 ILE CD1 C 13 11.479 0.2 . 1 . . . . 82 ILE CD1 . 16311 1 1007 . 1 1 82 82 ILE CG1 C 13 26.520 0.2 . 1 . . . . 82 ILE CG1 . 16311 1 1008 . 1 1 82 82 ILE CG2 C 13 16.791 0.2 . 1 . . . . 82 ILE CG2 . 16311 1 1009 . 1 1 82 82 ILE N N 15 125.281 0.2 . 1 . . . . 82 ILE N . 16311 1 1010 . 1 1 83 83 PRO HA H 1 4.337 0.02 . 1 . . . . 83 PRO HA . 16311 1 1011 . 1 1 83 83 PRO HB2 H 1 2.260 0.02 . 2 . . . . 83 PRO HB1 . 16311 1 1012 . 1 1 83 83 PRO HB3 H 1 2.234 0.02 . 2 . . . . 83 PRO HB2 . 16311 1 1013 . 1 1 83 83 PRO HD2 H 1 3.522 0.02 . 2 . . . . 83 PRO HD1 . 16311 1 1014 . 1 1 83 83 PRO HD3 H 1 3.766 0.02 . 2 . . . . 83 PRO HD2 . 16311 1 1015 . 1 1 83 83 PRO HG2 H 1 2.120 0.02 . 2 . . . . 83 PRO HG1 . 16311 1 1016 . 1 1 83 83 PRO HG3 H 1 1.996 0.02 . 2 . . . . 83 PRO HG2 . 16311 1 1017 . 1 1 83 83 PRO C C 13 175.167 0.2 . 1 . . . . 83 PRO C . 16311 1 1018 . 1 1 83 83 PRO CA C 13 62.844 0.2 . 1 . . . . 83 PRO CA . 16311 1 1019 . 1 1 83 83 PRO CB C 13 32.450 0.2 . 1 . . . . 83 PRO CB . 16311 1 1020 . 1 1 83 83 PRO CD C 13 51.281 0.2 . 1 . . . . 83 PRO CD . 16311 1 1021 . 1 1 83 83 PRO CG C 13 27.708 0.2 . 1 . . . . 83 PRO CG . 16311 1 1022 . 1 1 84 84 ARG H H 1 8.656 0.02 . 1 . . . . 84 ARG HN . 16311 1 1023 . 1 1 84 84 ARG HA H 1 4.658 0.02 . 1 . . . . 84 ARG HA . 16311 1 1024 . 1 1 84 84 ARG HB2 H 1 1.796 0.02 . 2 . . . . 84 ARG HB1 . 16311 1 1025 . 1 1 84 84 ARG HB3 H 1 1.796 0.02 . 2 . . . . 84 ARG HB2 . 16311 1 1026 . 1 1 84 84 ARG HD2 H 1 3.292 0.02 . 2 . . . . 84 ARG HD1 . 16311 1 1027 . 1 1 84 84 ARG HD3 H 1 3.258 0.02 . 2 . . . . 84 ARG HD2 . 16311 1 1028 . 1 1 84 84 ARG HE H 1 7.019 0.02 . 1 . . . . 84 ARG HE . 16311 1 1029 . 1 1 84 84 ARG HG2 H 1 1.422 0.02 . 2 . . . . 84 ARG HG1 . 16311 1 1030 . 1 1 84 84 ARG HG3 H 1 1.832 0.02 . 2 . . . . 84 ARG HG2 . 16311 1 1031 . 1 1 84 84 ARG C C 13 175.137 0.2 . 1 . . . . 84 ARG C . 16311 1 1032 . 1 1 84 84 ARG CA C 13 55.617 0.2 . 1 . . . . 84 ARG CA . 16311 1 1033 . 1 1 84 84 ARG CB C 13 30.482 0.2 . 1 . . . . 84 ARG CB . 16311 1 1034 . 1 1 84 84 ARG CD C 13 43.213 0.2 . 1 . . . . 84 ARG CD . 16311 1 1035 . 1 1 84 84 ARG CG C 13 28.042 0.2 . 1 . . . . 84 ARG CG . 16311 1 1036 . 1 1 84 84 ARG N N 15 122.316 0.2 . 1 . . . . 84 ARG N . 16311 1 1037 . 1 1 84 84 ARG NE N 15 84.271 0.2 . 1 . . . . 84 ARG NE . 16311 1 1038 . 1 1 85 85 CYS H H 1 8.783 0.02 . 1 . . . . 85 CYS HN . 16311 1 1039 . 1 1 85 85 CYS HA H 1 4.479 0.02 . 1 . . . . 85 CYS HA . 16311 1 1040 . 1 1 85 85 CYS HB2 H 1 3.176 0.02 . 2 . . . . 85 CYS HB1 . 16311 1 1041 . 1 1 85 85 CYS HB3 H 1 1.884 0.02 . 2 . . . . 85 CYS HB2 . 16311 1 1042 . 1 1 85 85 CYS C C 13 174.906 0.2 . 1 . . . . 85 CYS C . 16311 1 1043 . 1 1 85 85 CYS CA C 13 54.177 0.2 . 1 . . . . 85 CYS CA . 16311 1 1044 . 1 1 85 85 CYS CB C 13 39.574 0.2 . 1 . . . . 85 CYS CB . 16311 1 1045 . 1 1 85 85 CYS N N 15 124.002 0.2 . 1 . . . . 85 CYS N . 16311 1 1046 . 1 1 86 86 ALA H H 1 8.746 0.02 . 1 . . . . 86 ALA HN . 16311 1 1047 . 1 1 86 86 ALA HA H 1 4.255 0.02 . 1 . . . . 86 ALA HA . 16311 1 1048 . 1 1 86 86 ALA HB1 H 1 1.403 0.02 . 1 . . . . 86 ALA HB . 16311 1 1049 . 1 1 86 86 ALA HB2 H 1 1.403 0.02 . 1 . . . . 86 ALA HB . 16311 1 1050 . 1 1 86 86 ALA HB3 H 1 1.403 0.02 . 1 . . . . 86 ALA HB . 16311 1 1051 . 1 1 86 86 ALA C C 13 176.236 0.2 . 1 . . . . 86 ALA C . 16311 1 1052 . 1 1 86 86 ALA CA C 13 53.067 0.2 . 1 . . . . 86 ALA CA . 16311 1 1053 . 1 1 86 86 ALA CB C 13 19.034 0.2 . 1 . . . . 86 ALA CB . 16311 1 1054 . 1 1 86 86 ALA N N 15 126.444 0.2 . 1 . . . . 86 ALA N . 16311 1 1055 . 1 1 87 87 ALA H H 1 7.869 0.02 . 1 . . . . 87 ALA HN . 16311 1 1056 . 1 1 87 87 ALA HA H 1 4.204 0.02 . 1 . . . . 87 ALA HA . 16311 1 1057 . 1 1 87 87 ALA HB1 H 1 1.359 0.02 . 1 . . . . 87 ALA HB . 16311 1 1058 . 1 1 87 87 ALA HB2 H 1 1.359 0.02 . 1 . . . . 87 ALA HB . 16311 1 1059 . 1 1 87 87 ALA HB3 H 1 1.359 0.02 . 1 . . . . 87 ALA HB . 16311 1 1060 . 1 1 87 87 ALA C C 13 182.423 0.2 . 1 . . . . 87 ALA C . 16311 1 1061 . 1 1 87 87 ALA CA C 13 53.659 0.2 . 1 . . . . 87 ALA CA . 16311 1 1062 . 1 1 87 87 ALA CB C 13 20.365 0.2 . 1 . . . . 87 ALA CB . 16311 1 1063 . 1 1 87 87 ALA N N 15 128.229 0.2 . 1 . . . . 87 ALA N . 16311 1 1064 . 2 2 2 2 SER HA H 1 4.570 0.02 . 1 . . . . 100 SER HA . 16311 1 1065 . 2 2 2 2 SER HB2 H 1 3.897 0.02 . 2 . . . . 100 SER HB1 . 16311 1 1066 . 2 2 2 2 SER HB3 H 1 3.897 0.02 . 2 . . . . 100 SER HB2 . 16311 1 1067 . 2 2 2 2 SER C C 13 174.779 0.2 . 1 . . . . 100 SER C . 16311 1 1068 . 2 2 2 2 SER CA C 13 58.624 0.2 . 1 . . . . 100 SER CA . 16311 1 1069 . 2 2 2 2 SER CB C 13 63.939 0.2 . 1 . . . . 100 SER CB . 16311 1 1070 . 2 2 3 3 VAL H H 1 8.341 0.02 . 1 . . . . 101 VAL HN . 16311 1 1071 . 2 2 3 3 VAL HA H 1 4.151 0.02 . 1 . . . . 101 VAL HA . 16311 1 1072 . 2 2 3 3 VAL HB H 1 2.129 0.02 . 1 . . . . 101 VAL HB . 16311 1 1073 . 2 2 3 3 VAL HG11 H 1 0.971 0.02 . 2 . . . . 101 VAL HG1 . 16311 1 1074 . 2 2 3 3 VAL HG12 H 1 0.971 0.02 . 2 . . . . 101 VAL HG1 . 16311 1 1075 . 2 2 3 3 VAL HG13 H 1 0.971 0.02 . 2 . . . . 101 VAL HG1 . 16311 1 1076 . 2 2 3 3 VAL HG21 H 1 0.981 0.02 . 2 . . . . 101 VAL HG2 . 16311 1 1077 . 2 2 3 3 VAL HG22 H 1 0.981 0.02 . 2 . . . . 101 VAL HG2 . 16311 1 1078 . 2 2 3 3 VAL HG23 H 1 0.981 0.02 . 2 . . . . 101 VAL HG2 . 16311 1 1079 . 2 2 3 3 VAL C C 13 176.450 0.2 . 1 . . . . 101 VAL C . 16311 1 1080 . 2 2 3 3 VAL CA C 13 62.793 0.2 . 1 . . . . 101 VAL CA . 16311 1 1081 . 2 2 3 3 VAL CB C 13 32.495 0.2 . 1 . . . . 101 VAL CB . 16311 1 1082 . 2 2 3 3 VAL CG1 C 13 21.054 0.2 . 2 . . . . 101 VAL CG1 . 16311 1 1083 . 2 2 3 3 VAL CG2 C 13 20.829 0.2 . 2 . . . . 101 VAL CG2 . 16311 1 1084 . 2 2 3 3 VAL N N 15 121.954 0.2 . 1 . . . . 101 VAL N . 16311 1 1085 . 2 2 4 4 GLU H H 1 8.521 0.02 . 1 . . . . 102 GLU HN . 16311 1 1086 . 2 2 4 4 GLU HA H 1 4.291 0.02 . 1 . . . . 102 GLU HA . 16311 1 1087 . 2 2 4 4 GLU HB2 H 1 1.966 0.02 . 2 . . . . 102 GLU HB1 . 16311 1 1088 . 2 2 4 4 GLU HB3 H 1 1.998 0.02 . 2 . . . . 102 GLU HB2 . 16311 1 1089 . 2 2 4 4 GLU HG2 H 1 2.272 0.02 . 2 . . . . 102 GLU HG1 . 16311 1 1090 . 2 2 4 4 GLU HG3 H 1 2.402 0.02 . 2 . . . . 102 GLU HG2 . 16311 1 1091 . 2 2 4 4 GLU C C 13 176.450 0.2 . 1 . . . . 102 GLU C . 16311 1 1092 . 2 2 4 4 GLU CA C 13 56.955 0.2 . 1 . . . . 102 GLU CA . 16311 1 1093 . 2 2 4 4 GLU CB C 13 30.233 0.2 . 1 . . . . 102 GLU CB . 16311 1 1094 . 2 2 4 4 GLU CG C 13 36.284 0.2 . 1 . . . . 102 GLU CG . 16311 1 1095 . 2 2 4 4 GLU N N 15 124.722 0.2 . 1 . . . . 102 GLU N . 16311 1 1096 . 2 2 5 5 LYS H H 1 8.323 0.02 . 1 . . . . 103 LYS HN . 16311 1 1097 . 2 2 5 5 LYS HA H 1 4.313 0.02 . 1 . . . . 103 LYS HA . 16311 1 1098 . 2 2 5 5 LYS HB2 H 1 1.823 0.02 . 2 . . . . 103 LYS HB1 . 16311 1 1099 . 2 2 5 5 LYS HB3 H 1 1.735 0.02 . 2 . . . . 103 LYS HB2 . 16311 1 1100 . 2 2 5 5 LYS HD2 H 1 1.626 0.02 . 2 . . . . 103 LYS HD1 . 16311 1 1101 . 2 2 5 5 LYS HD3 H 1 1.430 0.02 . 2 . . . . 103 LYS HD2 . 16311 1 1102 . 2 2 5 5 LYS HE2 H 1 2.989 0.02 . 2 . . . . 103 LYS HE1 . 16311 1 1103 . 2 2 5 5 LYS HE3 H 1 2.989 0.02 . 2 . . . . 103 LYS HE2 . 16311 1 1104 . 2 2 5 5 LYS HG2 H 1 1.430 0.02 . 2 . . . . 103 LYS HG1 . 16311 1 1105 . 2 2 5 5 LYS HG3 H 1 1.430 0.02 . 2 . . . . 103 LYS HG2 . 16311 1 1106 . 2 2 5 5 LYS C C 13 176.784 0.2 . 1 . . . . 103 LYS C . 16311 1 1107 . 2 2 5 5 LYS CA C 13 56.688 0.2 . 1 . . . . 103 LYS CA . 16311 1 1108 . 2 2 5 5 LYS CB C 13 30.228 0.2 . 1 . . . . 103 LYS CB . 16311 1 1109 . 2 2 5 5 LYS CD C 13 27.268 0.2 . 1 . . . . 103 LYS CD . 16311 1 1110 . 2 2 5 5 LYS CE C 13 41.911 0.2 . 1 . . . . 103 LYS CE . 16311 1 1111 . 2 2 5 5 LYS CG C 13 24.910 0.2 . 1 . . . . 103 LYS CG . 16311 1 1112 . 2 2 5 5 LYS N N 15 122.689 0.2 . 1 . . . . 103 LYS N . 16311 1 1113 . 2 2 6 6 LEU H H 1 8.369 0.02 . 1 . . . . 104 LEU HN . 16311 1 1114 . 2 2 6 6 LEU HA H 1 4.500 0.02 . 1 . . . . 104 LEU HA . 16311 1 1115 . 2 2 6 6 LEU HB2 H 1 1.735 0.02 . 2 . . . . 104 LEU HB1 . 16311 1 1116 . 2 2 6 6 LEU HB3 H 1 1.642 0.02 . 2 . . . . 104 LEU HB2 . 16311 1 1117 . 2 2 6 6 LEU HD11 H 1 0.926 0.02 . 2 . . . . 104 LEU HD1 . 16311 1 1118 . 2 2 6 6 LEU HD12 H 1 0.926 0.02 . 2 . . . . 104 LEU HD1 . 16311 1 1119 . 2 2 6 6 LEU HD13 H 1 0.926 0.02 . 2 . . . . 104 LEU HD1 . 16311 1 1120 . 2 2 6 6 LEU HD21 H 1 0.881 0.02 . 2 . . . . 104 LEU HD2 . 16311 1 1121 . 2 2 6 6 LEU HD22 H 1 0.881 0.02 . 2 . . . . 104 LEU HD2 . 16311 1 1122 . 2 2 6 6 LEU HD23 H 1 0.881 0.02 . 2 . . . . 104 LEU HD2 . 16311 1 1123 . 2 2 6 6 LEU HG H 1 1.690 0.02 . 1 . . . . 104 LEU HG . 16311 1 1124 . 2 2 6 6 LEU C C 13 177.632 0.2 . 1 . . . . 104 LEU C . 16311 1 1125 . 2 2 6 6 LEU CA C 13 55.480 0.2 . 1 . . . . 104 LEU CA . 16311 1 1126 . 2 2 6 6 LEU CB C 13 42.587 0.2 . 1 . . . . 104 LEU CB . 16311 1 1127 . 2 2 6 6 LEU CD1 C 13 24.926 0.2 . 2 . . . . 104 LEU CD1 . 16311 1 1128 . 2 2 6 6 LEU CD2 C 13 23.437 0.2 . 2 . . . . 104 LEU CD2 . 16311 1 1129 . 2 2 6 6 LEU CG C 13 27.024 0.2 . 1 . . . . 104 LEU CG . 16311 1 1130 . 2 2 6 6 LEU N N 15 123.373 0.2 . 1 . . . . 104 LEU N . 16311 1 1131 . 2 2 7 7 THR HA H 1 4.558 0.02 . 1 . . . . 105 THR HA . 16311 1 1132 . 2 2 7 7 THR HB H 1 4.357 0.02 . 1 . . . . 105 THR HB . 16311 1 1133 . 2 2 7 7 THR HG1 H 1 4.775 0.02 . 1 . . . . 105 THR HG1 . 16311 1 1134 . 2 2 7 7 THR HG21 H 1 1.336 0.02 . 1 . . . . 105 THR HG2 . 16311 1 1135 . 2 2 7 7 THR HG22 H 1 1.336 0.02 . 1 . . . . 105 THR HG2 . 16311 1 1136 . 2 2 7 7 THR HG23 H 1 1.336 0.02 . 1 . . . . 105 THR HG2 . 16311 1 1137 . 2 2 7 7 THR C C 13 175.614 0.2 . 1 . . . . 105 THR C . 16311 1 1138 . 2 2 7 7 THR CA C 13 62.000 0.2 . 1 . . . . 105 THR CA . 16311 1 1139 . 2 2 7 7 THR CB C 13 70.090 0.2 . 1 . . . . 105 THR CB . 16311 1 1140 . 2 2 7 7 THR CG2 C 13 22.158 0.2 . 1 . . . . 105 THR CG2 . 16311 1 1141 . 2 2 8 8 ALA H H 1 8.649 0.02 . 1 . . . . 106 ALA HN . 16311 1 1142 . 2 2 8 8 ALA HA H 1 4.458 0.02 . 1 . . . . 106 ALA HA . 16311 1 1143 . 2 2 8 8 ALA HB1 H 1 1.705 0.02 . 1 . . . . 106 ALA HB . 16311 1 1144 . 2 2 8 8 ALA HB2 H 1 1.705 0.02 . 1 . . . . 106 ALA HB . 16311 1 1145 . 2 2 8 8 ALA HB3 H 1 1.705 0.02 . 1 . . . . 106 ALA HB . 16311 1 1146 . 2 2 8 8 ALA C C 13 179.290 0.2 . 1 . . . . 106 ALA C . 16311 1 1147 . 2 2 8 8 ALA CA C 13 55.552 0.2 . 1 . . . . 106 ALA CA . 16311 1 1148 . 2 2 8 8 ALA CB C 13 18.704 0.2 . 1 . . . . 106 ALA CB . 16311 1 1149 . 2 2 8 8 ALA N N 15 124.857 0.2 . 1 . . . . 106 ALA N . 16311 1 1150 . 2 2 9 9 ASP H H 1 8.286 0.02 . 1 . . . . 107 ASP HN . 16311 1 1151 . 2 2 9 9 ASP HA H 1 4.457 0.02 . 1 . . . . 107 ASP HA . 16311 1 1152 . 2 2 9 9 ASP HB2 H 1 2.661 0.02 . 2 . . . . 107 ASP HB1 . 16311 1 1153 . 2 2 9 9 ASP HB3 H 1 2.620 0.02 . 2 . . . . 107 ASP HB2 . 16311 1 1154 . 2 2 9 9 ASP C C 13 178.845 0.2 . 1 . . . . 107 ASP C . 16311 1 1155 . 2 2 9 9 ASP CA C 13 57.733 0.2 . 1 . . . . 107 ASP CA . 16311 1 1156 . 2 2 9 9 ASP CB C 13 40.881 0.2 . 1 . . . . 107 ASP CB . 16311 1 1157 . 2 2 9 9 ASP N N 15 115.621 0.2 . 1 . . . . 107 ASP N . 16311 1 1158 . 2 2 10 10 ALA H H 1 7.887 0.02 . 1 . . . . 108 ALA HN . 16311 1 1159 . 2 2 10 10 ALA HA H 1 4.182 0.02 . 1 . . . . 108 ALA HA . 16311 1 1160 . 2 2 10 10 ALA HB1 H 1 1.561 0.02 . 1 . . . . 108 ALA HB . 16311 1 1161 . 2 2 10 10 ALA HB2 H 1 1.561 0.02 . 1 . . . . 108 ALA HB . 16311 1 1162 . 2 2 10 10 ALA HB3 H 1 1.561 0.02 . 1 . . . . 108 ALA HB . 16311 1 1163 . 2 2 10 10 ALA C C 13 180.906 0.2 . 1 . . . . 108 ALA C . 16311 1 1164 . 2 2 10 10 ALA CA C 13 55.014 0.2 . 1 . . . . 108 ALA CA . 16311 1 1165 . 2 2 10 10 ALA CB C 13 18.631 0.2 . 1 . . . . 108 ALA CB . 16311 1 1166 . 2 2 10 10 ALA N N 15 122.756 0.2 . 1 . . . . 108 ALA N . 16311 1 1167 . 2 2 11 11 GLU H H 1 8.390 0.02 . 1 . . . . 109 GLU HN . 16311 1 1168 . 2 2 11 11 GLU HA H 1 4.256 0.02 . 1 . . . . 109 GLU HA . 16311 1 1169 . 2 2 11 11 GLU HB2 H 1 2.210 0.02 . 2 . . . . 109 GLU HB1 . 16311 1 1170 . 2 2 11 11 GLU HB3 H 1 2.238 0.02 . 2 . . . . 109 GLU HB2 . 16311 1 1171 . 2 2 11 11 GLU HG2 H 1 2.398 0.02 . 2 . . . . 109 GLU HG1 . 16311 1 1172 . 2 2 11 11 GLU HG3 H 1 2.398 0.02 . 2 . . . . 109 GLU HG2 . 16311 1 1173 . 2 2 11 11 GLU C C 13 178.678 0.2 . 1 . . . . 109 GLU C . 16311 1 1174 . 2 2 11 11 GLU CA C 13 59.105 0.2 . 1 . . . . 109 GLU CA . 16311 1 1175 . 2 2 11 11 GLU CB C 13 29.559 0.2 . 1 . . . . 109 GLU CB . 16311 1 1176 . 2 2 11 11 GLU CG C 13 36.257 0.2 . 1 . . . . 109 GLU CG . 16311 1 1177 . 2 2 11 11 GLU N N 15 121.999 0.2 . 1 . . . . 109 GLU N . 16311 1 1178 . 2 2 12 12 LEU H H 1 8.395 0.02 . 1 . . . . 110 LEU HN . 16311 1 1179 . 2 2 12 12 LEU HA H 1 3.808 0.02 . 1 . . . . 110 LEU HA . 16311 1 1180 . 2 2 12 12 LEU HB2 H 1 1.133 0.02 . 2 . . . . 110 LEU HB1 . 16311 1 1181 . 2 2 12 12 LEU HB3 H 1 2.005 0.02 . 2 . . . . 110 LEU HB2 . 16311 1 1182 . 2 2 12 12 LEU HD11 H 1 0.762 0.02 . 2 . . . . 110 LEU HD1 . 16311 1 1183 . 2 2 12 12 LEU HD12 H 1 0.762 0.02 . 2 . . . . 110 LEU HD1 . 16311 1 1184 . 2 2 12 12 LEU HD13 H 1 0.762 0.02 . 2 . . . . 110 LEU HD1 . 16311 1 1185 . 2 2 12 12 LEU HD21 H 1 -0.081 0.02 . 2 . . . . 110 LEU HD2 . 16311 1 1186 . 2 2 12 12 LEU HD22 H 1 -0.081 0.02 . 2 . . . . 110 LEU HD2 . 16311 1 1187 . 2 2 12 12 LEU HD23 H 1 -0.081 0.02 . 2 . . . . 110 LEU HD2 . 16311 1 1188 . 2 2 12 12 LEU HG H 1 1.339 0.02 . 1 . . . . 110 LEU HG . 16311 1 1189 . 2 2 12 12 LEU C C 13 178.288 0.2 . 1 . . . . 110 LEU C . 16311 1 1190 . 2 2 12 12 LEU CA C 13 58.407 0.2 . 1 . . . . 110 LEU CA . 16311 1 1191 . 2 2 12 12 LEU CB C 13 41.329 0.2 . 1 . . . . 110 LEU CB . 16311 1 1192 . 2 2 12 12 LEU CD1 C 13 25.660 0.2 . 2 . . . . 110 LEU CD1 . 16311 1 1193 . 2 2 12 12 LEU CD2 C 13 22.654 0.2 . 2 . . . . 110 LEU CD2 . 16311 1 1194 . 2 2 12 12 LEU CG C 13 27.550 0.2 . 1 . . . . 110 LEU CG . 16311 1 1195 . 2 2 12 12 LEU N N 15 119.939 0.2 . 1 . . . . 110 LEU N . 16311 1 1196 . 2 2 13 13 GLN H H 1 7.761 0.02 . 1 . . . . 111 GLN HN . 16311 1 1197 . 2 2 13 13 GLN HA H 1 4.008 0.02 . 1 . . . . 111 GLN HA . 16311 1 1198 . 2 2 13 13 GLN HB2 H 1 2.120 0.02 . 2 . . . . 111 GLN HB1 . 16311 1 1199 . 2 2 13 13 GLN HB3 H 1 2.151 0.02 . 2 . . . . 111 GLN HB2 . 16311 1 1200 . 2 2 13 13 GLN HG2 H 1 2.347 0.02 . 2 . . . . 111 GLN HG1 . 16311 1 1201 . 2 2 13 13 GLN HG3 H 1 2.435 0.02 . 2 . . . . 111 GLN HG2 . 16311 1 1202 . 2 2 13 13 GLN C C 13 177.954 0.2 . 1 . . . . 111 GLN C . 16311 1 1203 . 2 2 13 13 GLN CA C 13 58.674 0.2 . 1 . . . . 111 GLN CA . 16311 1 1204 . 2 2 13 13 GLN CB C 13 28.513 0.2 . 1 . . . . 111 GLN CB . 16311 1 1205 . 2 2 13 13 GLN CG C 13 33.860 0.2 . 1 . . . . 111 GLN CG . 16311 1 1206 . 2 2 13 13 GLN N N 15 117.305 0.2 . 1 . . . . 111 GLN N . 16311 1 1207 . 2 2 14 14 ARG H H 1 7.752 0.02 . 1 . . . . 112 ARG HN . 16311 1 1208 . 2 2 14 14 ARG HA H 1 4.053 0.02 . 1 . . . . 112 ARG HA . 16311 1 1209 . 2 2 14 14 ARG HB2 H 1 1.925 0.02 . 2 . . . . 112 ARG HB1 . 16311 1 1210 . 2 2 14 14 ARG HB3 H 1 2.124 0.02 . 2 . . . . 112 ARG HB2 . 16311 1 1211 . 2 2 14 14 ARG HD2 H 1 3.127 0.02 . 2 . . . . 112 ARG HD1 . 16311 1 1212 . 2 2 14 14 ARG HD3 H 1 3.327 0.02 . 2 . . . . 112 ARG HD2 . 16311 1 1213 . 2 2 14 14 ARG HE H 1 7.532 0.02 . 1 . . . . 112 ARG HE . 16311 1 1214 . 2 2 14 14 ARG HG2 H 1 1.745 0.02 . 2 . . . . 112 ARG HG1 . 16311 1 1215 . 2 2 14 14 ARG HG3 H 1 1.545 0.02 . 2 . . . . 112 ARG HG2 . 16311 1 1216 . 2 2 14 14 ARG C C 13 179.625 0.2 . 1 . . . . 112 ARG C . 16311 1 1217 . 2 2 14 14 ARG CA C 13 59.770 0.2 . 1 . . . . 112 ARG CA . 16311 1 1218 . 2 2 14 14 ARG CB C 13 29.884 0.2 . 1 . . . . 112 ARG CB . 16311 1 1219 . 2 2 14 14 ARG CD C 13 43.186 0.2 . 1 . . . . 112 ARG CD . 16311 1 1220 . 2 2 14 14 ARG CG C 13 27.264 0.2 . 1 . . . . 112 ARG CG . 16311 1 1221 . 2 2 14 14 ARG N N 15 121.241 0.2 . 1 . . . . 112 ARG N . 16311 1 1222 . 2 2 14 14 ARG NE N 15 84.250 0.2 . 1 . . . . 112 ARG NE . 16311 1 1223 . 2 2 15 15 LEU H H 1 8.478 0.02 . 1 . . . . 113 LEU HN . 16311 1 1224 . 2 2 15 15 LEU HA H 1 3.974 0.02 . 1 . . . . 113 LEU HA . 16311 1 1225 . 2 2 15 15 LEU HB2 H 1 1.488 0.02 . 2 . . . . 113 LEU HB1 . 16311 1 1226 . 2 2 15 15 LEU HB3 H 1 1.731 0.02 . 2 . . . . 113 LEU HB2 . 16311 1 1227 . 2 2 15 15 LEU HD11 H 1 0.141 0.02 . 2 . . . . 113 LEU HD1 . 16311 1 1228 . 2 2 15 15 LEU HD12 H 1 0.141 0.02 . 2 . . . . 113 LEU HD1 . 16311 1 1229 . 2 2 15 15 LEU HD13 H 1 0.141 0.02 . 2 . . . . 113 LEU HD1 . 16311 1 1230 . 2 2 15 15 LEU HD21 H 1 0.849 0.02 . 2 . . . . 113 LEU HD2 . 16311 1 1231 . 2 2 15 15 LEU HD22 H 1 0.849 0.02 . 2 . . . . 113 LEU HD2 . 16311 1 1232 . 2 2 15 15 LEU HD23 H 1 0.849 0.02 . 2 . . . . 113 LEU HD2 . 16311 1 1233 . 2 2 15 15 LEU HG H 1 1.708 0.02 . 1 . . . . 113 LEU HG . 16311 1 1234 . 2 2 15 15 LEU C C 13 180.627 0.2 . 1 . . . . 113 LEU C . 16311 1 1235 . 2 2 15 15 LEU CA C 13 58.251 0.2 . 1 . . . . 113 LEU CA . 16311 1 1236 . 2 2 15 15 LEU CB C 13 41.751 0.2 . 1 . . . . 113 LEU CB . 16311 1 1237 . 2 2 15 15 LEU CD1 C 13 25.160 0.2 . 2 . . . . 113 LEU CD1 . 16311 1 1238 . 2 2 15 15 LEU CD2 C 13 22.970 0.2 . 2 . . . . 113 LEU CD2 . 16311 1 1239 . 2 2 15 15 LEU CG C 13 26.065 0.2 . 1 . . . . 113 LEU CG . 16311 1 1240 . 2 2 15 15 LEU N N 15 120.898 0.2 . 1 . . . . 113 LEU N . 16311 1 1241 . 2 2 16 16 LYS H H 1 8.437 0.02 . 1 . . . . 114 LYS HN . 16311 1 1242 . 2 2 16 16 LYS HA H 1 3.368 0.02 . 1 . . . . 114 LYS HA . 16311 1 1243 . 2 2 16 16 LYS HB2 H 1 1.769 0.02 . 2 . . . . 114 LYS HB1 . 16311 1 1244 . 2 2 16 16 LYS HB3 H 1 2.087 0.02 . 2 . . . . 114 LYS HB2 . 16311 1 1245 . 2 2 16 16 LYS HD2 H 1 1.343 0.02 . 2 . . . . 114 LYS HD1 . 16311 1 1246 . 2 2 16 16 LYS HD3 H 1 1.443 0.02 . 2 . . . . 114 LYS HD2 . 16311 1 1247 . 2 2 16 16 LYS HE2 H 1 2.648 0.02 . 2 . . . . 114 LYS HE1 . 16311 1 1248 . 2 2 16 16 LYS HE3 H 1 2.880 0.02 . 2 . . . . 114 LYS HE2 . 16311 1 1249 . 2 2 16 16 LYS HG2 H 1 0.545 0.02 . 2 . . . . 114 LYS HG1 . 16311 1 1250 . 2 2 16 16 LYS HG3 H 1 0.911 0.02 . 2 . . . . 114 LYS HG2 . 16311 1 1251 . 2 2 16 16 LYS C C 13 178.288 0.2 . 1 . . . . 114 LYS C . 16311 1 1252 . 2 2 16 16 LYS CA C 13 60.242 0.2 . 1 . . . . 114 LYS CA . 16311 1 1253 . 2 2 16 16 LYS CB C 13 30.249 0.2 . 1 . . . . 114 LYS CB . 16311 1 1254 . 2 2 16 16 LYS CD C 13 27.526 0.2 . 1 . . . . 114 LYS CD . 16311 1 1255 . 2 2 16 16 LYS CE C 13 41.754 0.2 . 1 . . . . 114 LYS CE . 16311 1 1256 . 2 2 16 16 LYS CG C 13 24.049 0.2 . 1 . . . . 114 LYS CG . 16311 1 1257 . 2 2 16 16 LYS N N 15 123.214 0.2 . 1 . . . . 114 LYS N . 16311 1 1258 . 2 2 17 17 ASN H H 1 8.137 0.02 . 1 . . . . 115 ASN HN . 16311 1 1259 . 2 2 17 17 ASN HA H 1 4.270 0.02 . 1 . . . . 115 ASN HA . 16311 1 1260 . 2 2 17 17 ASN HB2 H 1 2.900 0.02 . 2 . . . . 115 ASN HB1 . 16311 1 1261 . 2 2 17 17 ASN HB3 H 1 2.935 0.02 . 2 . . . . 115 ASN HB2 . 16311 1 1262 . 2 2 17 17 ASN HD21 H 1 7.793 0.02 . 2 . . . . 115 ASN HD21 . 16311 1 1263 . 2 2 17 17 ASN HD22 H 1 6.915 0.02 . 2 . . . . 115 ASN HD22 . 16311 1 1264 . 2 2 17 17 ASN C C 13 178.288 0.2 . 1 . . . . 115 ASN C . 16311 1 1265 . 2 2 17 17 ASN CA C 13 56.318 0.2 . 1 . . . . 115 ASN CA . 16311 1 1266 . 2 2 17 17 ASN CB C 13 37.573 0.2 . 1 . . . . 115 ASN CB . 16311 1 1267 . 2 2 17 17 ASN N N 15 117.923 0.2 . 1 . . . . 115 ASN N . 16311 1 1268 . 2 2 17 17 ASN ND2 N 15 111.928 0.2 . 1 . . . . 115 ASN ND2 . 16311 1 1269 . 2 2 18 18 GLU H H 1 8.110 0.02 . 1 . . . . 116 GLU HN . 16311 1 1270 . 2 2 18 18 GLU HA H 1 4.146 0.02 . 1 . . . . 116 GLU HA . 16311 1 1271 . 2 2 18 18 GLU HB2 H 1 2.182 0.02 . 2 . . . . 116 GLU HB1 . 16311 1 1272 . 2 2 18 18 GLU HB3 H 1 2.197 0.02 . 2 . . . . 116 GLU HB2 . 16311 1 1273 . 2 2 18 18 GLU HG2 H 1 2.480 0.02 . 2 . . . . 116 GLU HG1 . 16311 1 1274 . 2 2 18 18 GLU HG3 H 1 2.452 0.02 . 2 . . . . 116 GLU HG2 . 16311 1 1275 . 2 2 18 18 GLU C C 13 178.956 0.2 . 1 . . . . 116 GLU C . 16311 1 1276 . 2 2 18 18 GLU CA C 13 59.659 0.2 . 1 . . . . 116 GLU CA . 16311 1 1277 . 2 2 18 18 GLU CB C 13 29.950 0.2 . 1 . . . . 116 GLU CB . 16311 1 1278 . 2 2 18 18 GLU CG C 13 36.614 0.2 . 1 . . . . 116 GLU CG . 16311 1 1279 . 2 2 18 18 GLU N N 15 120.249 0.2 . 1 . . . . 116 GLU N . 16311 1 1280 . 2 2 19 19 ARG H H 1 7.925 0.02 . 1 . . . . 117 ARG HN . 16311 1 1281 . 2 2 19 19 ARG HA H 1 4.057 0.02 . 1 . . . . 117 ARG HA . 16311 1 1282 . 2 2 19 19 ARG HB2 H 1 2.135 0.02 . 2 . . . . 117 ARG HB1 . 16311 1 1283 . 2 2 19 19 ARG HB3 H 1 2.308 0.02 . 2 . . . . 117 ARG HB2 . 16311 1 1284 . 2 2 19 19 ARG HD2 H 1 3.129 0.02 . 2 . . . . 117 ARG HD1 . 16311 1 1285 . 2 2 19 19 ARG HD3 H 1 3.399 0.02 . 2 . . . . 117 ARG HD2 . 16311 1 1286 . 2 2 19 19 ARG HE H 1 7.793 0.02 . 1 . . . . 117 ARG HE . 16311 1 1287 . 2 2 19 19 ARG HG2 H 1 1.746 0.02 . 2 . . . . 117 ARG HG1 . 16311 1 1288 . 2 2 19 19 ARG HG3 H 1 1.525 0.02 . 2 . . . . 117 ARG HG2 . 16311 1 1289 . 2 2 19 19 ARG C C 13 180.070 0.2 . 1 . . . . 117 ARG C . 16311 1 1290 . 2 2 19 19 ARG CA C 13 59.564 0.2 . 1 . . . . 117 ARG CA . 16311 1 1291 . 2 2 19 19 ARG CB C 13 29.879 0.2 . 1 . . . . 117 ARG CB . 16311 1 1292 . 2 2 19 19 ARG CD C 13 43.153 0.2 . 1 . . . . 117 ARG CD . 16311 1 1293 . 2 2 19 19 ARG CG C 13 27.308 0.2 . 1 . . . . 117 ARG CG . 16311 1 1294 . 2 2 19 19 ARG N N 15 119.801 0.2 . 1 . . . . 117 ARG N . 16311 1 1295 . 2 2 19 19 ARG NE N 15 83.180 0.2 . 1 . . . . 117 ARG NE . 16311 1 1296 . 2 2 20 20 HIS H H 1 8.316 0.02 . 1 . . . . 118 HIS HN . 16311 1 1297 . 2 2 20 20 HIS HA H 1 4.574 0.02 . 1 . . . . 118 HIS HA . 16311 1 1298 . 2 2 20 20 HIS HB2 H 1 3.258 0.02 . 2 . . . . 118 HIS HB1 . 16311 1 1299 . 2 2 20 20 HIS HB3 H 1 3.387 0.02 . 2 . . . . 118 HIS HB2 . 16311 1 1300 . 2 2 20 20 HIS HD1 H 1 6.568 0.02 . 1 . . . . 118 HIS HD1 . 16311 1 1301 . 2 2 20 20 HIS HD2 H 1 6.590 0.02 . 1 . . . . 118 HIS HD2 . 16311 1 1302 . 2 2 20 20 HIS HE1 H 1 8.519 0.02 . 1 . . . . 118 HIS HE1 . 16311 1 1303 . 2 2 20 20 HIS HE2 H 1 7.538 0.02 . 1 . . . . 118 HIS HE2 . 16311 1 1304 . 2 2 20 20 HIS C C 13 176.784 0.2 . 1 . . . . 118 HIS C . 16311 1 1305 . 2 2 20 20 HIS CA C 13 58.397 0.2 . 1 . . . . 118 HIS CA . 16311 1 1306 . 2 2 20 20 HIS CB C 13 29.343 0.2 . 1 . . . . 118 HIS CB . 16311 1 1307 . 2 2 20 20 HIS CD2 C 13 117.477 0.2 . 1 . . . . 118 HIS CD2 . 16311 1 1308 . 2 2 20 20 HIS CE1 C 13 136.585 0.2 . 1 . . . . 118 HIS CE1 . 16311 1 1309 . 2 2 20 20 HIS N N 15 117.802 0.2 . 1 . . . . 118 HIS N . 16311 1 1310 . 2 2 21 21 GLU H H 1 8.400 0.02 . 1 . . . . 119 GLU HN . 16311 1 1311 . 2 2 21 21 GLU HA H 1 4.268 0.02 . 1 . . . . 119 GLU HA . 16311 1 1312 . 2 2 21 21 GLU HB2 H 1 2.158 0.02 . 2 . . . . 119 GLU HB1 . 16311 1 1313 . 2 2 21 21 GLU HB3 H 1 2.231 0.02 . 2 . . . . 119 GLU HB2 . 16311 1 1314 . 2 2 21 21 GLU HG2 H 1 2.398 0.02 . 2 . . . . 119 GLU HG1 . 16311 1 1315 . 2 2 21 21 GLU HG3 H 1 2.363 0.02 . 2 . . . . 119 GLU HG2 . 16311 1 1316 . 2 2 21 21 GLU C C 13 178.566 0.2 . 1 . . . . 119 GLU C . 16311 1 1317 . 2 2 21 21 GLU CA C 13 59.105 0.2 . 1 . . . . 119 GLU CA . 16311 1 1318 . 2 2 21 21 GLU CB C 13 29.559 0.2 . 1 . . . . 119 GLU CB . 16311 1 1319 . 2 2 21 21 GLU CG C 13 36.368 0.2 . 1 . . . . 119 GLU CG . 16311 1 1320 . 2 2 21 21 GLU N N 15 121.996 0.2 . 1 . . . . 119 GLU N . 16311 1 1321 . 2 2 22 22 GLU H H 1 8.285 0.02 . 1 . . . . 120 GLU HN . 16311 1 1322 . 2 2 22 22 GLU HA H 1 4.204 0.02 . 1 . . . . 120 GLU HA . 16311 1 1323 . 2 2 22 22 GLU HB2 H 1 2.295 0.02 . 2 . . . . 120 GLU HB1 . 16311 1 1324 . 2 2 22 22 GLU HB3 H 1 2.261 0.02 . 2 . . . . 120 GLU HB2 . 16311 1 1325 . 2 2 22 22 GLU HG2 H 1 2.361 0.02 . 2 . . . . 120 GLU HG1 . 16311 1 1326 . 2 2 22 22 GLU HG3 H 1 2.520 0.02 . 2 . . . . 120 GLU HG2 . 16311 1 1327 . 2 2 22 22 GLU C C 13 178.288 0.2 . 1 . . . . 120 GLU C . 16311 1 1328 . 2 2 22 22 GLU CA C 13 58.841 0.2 . 1 . . . . 120 GLU CA . 16311 1 1329 . 2 2 22 22 GLU CB C 13 29.322 0.2 . 1 . . . . 120 GLU CB . 16311 1 1330 . 2 2 22 22 GLU CG C 13 36.075 0.2 . 1 . . . . 120 GLU CG . 16311 1 1331 . 2 2 22 22 GLU N N 15 119.798 0.2 . 1 . . . . 120 GLU N . 16311 1 1332 . 2 2 23 23 ALA H H 1 8.037 0.02 . 1 . . . . 121 ALA HN . 16311 1 1333 . 2 2 23 23 ALA HA H 1 4.270 0.02 . 1 . . . . 121 ALA HA . 16311 1 1334 . 2 2 23 23 ALA HB1 H 1 1.561 0.02 . 1 . . . . 121 ALA HB . 16311 1 1335 . 2 2 23 23 ALA HB2 H 1 1.561 0.02 . 1 . . . . 121 ALA HB . 16311 1 1336 . 2 2 23 23 ALA HB3 H 1 1.561 0.02 . 1 . . . . 121 ALA HB . 16311 1 1337 . 2 2 23 23 ALA C C 13 179.569 0.2 . 1 . . . . 121 ALA C . 16311 1 1338 . 2 2 23 23 ALA CA C 13 54.158 0.2 . 1 . . . . 121 ALA CA . 16311 1 1339 . 2 2 23 23 ALA CB C 13 18.923 0.2 . 1 . . . . 121 ALA CB . 16311 1 1340 . 2 2 23 23 ALA N N 15 122.418 0.2 . 1 . . . . 121 ALA N . 16311 1 1341 . 2 2 24 24 GLU H H 1 8.039 0.02 . 1 . . . . 122 GLU HN . 16311 1 1342 . 2 2 24 24 GLU HA H 1 4.291 0.02 . 1 . . . . 122 GLU HA . 16311 1 1343 . 2 2 24 24 GLU HB2 H 1 1.860 0.02 . 2 . . . . 122 GLU HB1 . 16311 1 1344 . 2 2 24 24 GLU HB3 H 1 2.151 0.02 . 2 . . . . 122 GLU HB2 . 16311 1 1345 . 2 2 24 24 GLU HG2 H 1 2.381 0.02 . 2 . . . . 122 GLU HG1 . 16311 1 1346 . 2 2 24 24 GLU HG3 H 1 2.381 0.02 . 2 . . . . 122 GLU HG2 . 16311 1 1347 . 2 2 24 24 GLU C C 13 177.954 0.2 . 1 . . . . 122 GLU C . 16311 1 1348 . 2 2 24 24 GLU CA C 13 58.023 0.2 . 1 . . . . 122 GLU CA . 16311 1 1349 . 2 2 24 24 GLU CB C 13 29.566 0.2 . 1 . . . . 122 GLU CB . 16311 1 1350 . 2 2 24 24 GLU CG C 13 35.882 0.2 . 1 . . . . 122 GLU CG . 16311 1 1351 . 2 2 24 24 GLU N N 15 119.517 0.2 . 1 . . . . 122 GLU N . 16311 1 1352 . 2 2 25 25 LEU H H 1 7.962 0.02 . 1 . . . . 123 LEU HN . 16311 1 1353 . 2 2 25 25 LEU HA H 1 4.226 0.02 . 1 . . . . 123 LEU HA . 16311 1 1354 . 2 2 25 25 LEU HB2 H 1 1.654 0.02 . 2 . . . . 123 LEU HB1 . 16311 1 1355 . 2 2 25 25 LEU HB3 H 1 1.860 0.02 . 2 . . . . 123 LEU HB2 . 16311 1 1356 . 2 2 25 25 LEU HD11 H 1 0.908 0.02 . 2 . . . . 123 LEU HD1 . 16311 1 1357 . 2 2 25 25 LEU HD12 H 1 0.908 0.02 . 2 . . . . 123 LEU HD1 . 16311 1 1358 . 2 2 25 25 LEU HD13 H 1 0.908 0.02 . 2 . . . . 123 LEU HD1 . 16311 1 1359 . 2 2 25 25 LEU HD21 H 1 0.952 0.02 . 2 . . . . 123 LEU HD2 . 16311 1 1360 . 2 2 25 25 LEU HD22 H 1 0.952 0.02 . 2 . . . . 123 LEU HD2 . 16311 1 1361 . 2 2 25 25 LEU HD23 H 1 0.952 0.02 . 2 . . . . 123 LEU HD2 . 16311 1 1362 . 2 2 25 25 LEU HG H 1 1.748 0.02 . 1 . . . . 123 LEU HG . 16311 1 1363 . 2 2 25 25 LEU C C 13 179.123 0.2 . 1 . . . . 123 LEU C . 16311 1 1364 . 2 2 25 25 LEU CA C 13 57.213 0.2 . 1 . . . . 123 LEU CA . 16311 1 1365 . 2 2 25 25 LEU CB C 13 41.809 0.2 . 1 . . . . 123 LEU CB . 16311 1 1366 . 2 2 25 25 LEU CD1 C 13 24.724 0.2 . 2 . . . . 123 LEU CD1 . 16311 1 1367 . 2 2 25 25 LEU CD2 C 13 24.724 0.2 . 2 . . . . 123 LEU CD2 . 16311 1 1368 . 2 2 25 25 LEU CG C 13 27.049 0.2 . 1 . . . . 123 LEU CG . 16311 1 1369 . 2 2 25 25 LEU N N 15 120.617 0.2 . 1 . . . . 123 LEU N . 16311 1 1370 . 2 2 26 26 GLU H H 1 8.093 0.02 . 1 . . . . 124 GLU HN . 16311 1 1371 . 2 2 26 26 GLU HA H 1 4.140 0.02 . 1 . . . . 124 GLU HA . 16311 1 1372 . 2 2 26 26 GLU HB2 H 1 2.117 0.02 . 2 . . . . 124 GLU HB1 . 16311 1 1373 . 2 2 26 26 GLU HB3 H 1 2.082 0.02 . 2 . . . . 124 GLU HB2 . 16311 1 1374 . 2 2 26 26 GLU HG2 H 1 2.359 0.02 . 2 . . . . 124 GLU HG1 . 16311 1 1375 . 2 2 26 26 GLU HG3 H 1 2.359 0.02 . 2 . . . . 124 GLU HG2 . 16311 1 1376 . 2 2 26 26 GLU C C 13 177.954 0.2 . 1 . . . . 124 GLU C . 16311 1 1377 . 2 2 26 26 GLU CA C 13 58.095 0.2 . 1 . . . . 124 GLU CA . 16311 1 1378 . 2 2 26 26 GLU CB C 13 29.910 0.2 . 1 . . . . 124 GLU CB . 16311 1 1379 . 2 2 26 26 GLU CG C 13 36.445 0.2 . 1 . . . . 124 GLU CG . 16311 1 1380 . 2 2 26 26 GLU N N 15 119.473 0.2 . 1 . . . . 124 GLU N . 16311 1 1381 . 2 2 27 27 ARG H H 1 7.954 0.02 . 1 . . . . 125 ARG HN . 16311 1 1382 . 2 2 27 27 ARG HA H 1 4.210 0.02 . 1 . . . . 125 ARG HA . 16311 1 1383 . 2 2 27 27 ARG HB2 H 1 1.894 0.02 . 2 . . . . 125 ARG HB1 . 16311 1 1384 . 2 2 27 27 ARG HB3 H 1 1.963 0.02 . 2 . . . . 125 ARG HB2 . 16311 1 1385 . 2 2 27 27 ARG HD2 H 1 3.232 0.02 . 2 . . . . 125 ARG HD1 . 16311 1 1386 . 2 2 27 27 ARG HD3 H 1 3.232 0.02 . 2 . . . . 125 ARG HD2 . 16311 1 1387 . 2 2 27 27 ARG HE H 1 7.102 0.02 . 1 . . . . 125 ARG HE . 16311 1 1388 . 2 2 27 27 ARG HG2 H 1 1.688 0.02 . 2 . . . . 125 ARG HG1 . 16311 1 1389 . 2 2 27 27 ARG HG3 H 1 1.688 0.02 . 2 . . . . 125 ARG HG2 . 16311 1 1390 . 2 2 27 27 ARG C C 13 177.619 0.2 . 1 . . . . 125 ARG C . 16311 1 1391 . 2 2 27 27 ARG CA C 13 57.677 0.2 . 1 . . . . 125 ARG CA . 16311 1 1392 . 2 2 27 27 ARG CB C 13 30.374 0.2 . 1 . . . . 125 ARG CB . 16311 1 1393 . 2 2 27 27 ARG CD C 13 43.231 0.2 . 1 . . . . 125 ARG CD . 16311 1 1394 . 2 2 27 27 ARG CG C 13 27.273 0.2 . 1 . . . . 125 ARG CG . 16311 1 1395 . 2 2 27 27 ARG N N 15 120.670 0.2 . 1 . . . . 125 ARG N . 16311 1 1396 . 2 2 27 27 ARG NE N 15 82.329 0.2 . 1 . . . . 125 ARG NE . 16311 1 1397 . 2 2 28 28 LEU H H 1 8.038 0.02 . 1 . . . . 126 LEU HN . 16311 1 1398 . 2 2 28 28 LEU HA H 1 4.270 0.02 . 1 . . . . 126 LEU HA . 16311 1 1399 . 2 2 28 28 LEU HB2 H 1 1.649 0.02 . 2 . . . . 126 LEU HB1 . 16311 1 1400 . 2 2 28 28 LEU HB3 H 1 1.774 0.02 . 2 . . . . 126 LEU HB2 . 16311 1 1401 . 2 2 28 28 LEU HD11 H 1 0.881 0.02 . 2 . . . . 126 LEU HD1 . 16311 1 1402 . 2 2 28 28 LEU HD12 H 1 0.881 0.02 . 2 . . . . 126 LEU HD1 . 16311 1 1403 . 2 2 28 28 LEU HD13 H 1 0.881 0.02 . 2 . . . . 126 LEU HD1 . 16311 1 1404 . 2 2 28 28 LEU HD21 H 1 0.946 0.02 . 2 . . . . 126 LEU HD2 . 16311 1 1405 . 2 2 28 28 LEU HD22 H 1 0.946 0.02 . 2 . . . . 126 LEU HD2 . 16311 1 1406 . 2 2 28 28 LEU HD23 H 1 0.946 0.02 . 2 . . . . 126 LEU HD2 . 16311 1 1407 . 2 2 28 28 LEU HG H 1 1.722 0.02 . 1 . . . . 126 LEU HG . 16311 1 1408 . 2 2 28 28 LEU C C 13 178.065 0.2 . 1 . . . . 126 LEU C . 16311 1 1409 . 2 2 28 28 LEU CA C 13 56.096 0.2 . 1 . . . . 126 LEU CA . 16311 1 1410 . 2 2 28 28 LEU CB C 13 42.252 0.2 . 1 . . . . 126 LEU CB . 16311 1 1411 . 2 2 28 28 LEU CD1 C 13 23.412 0.2 . 2 . . . . 126 LEU CD1 . 16311 1 1412 . 2 2 28 28 LEU CD2 C 13 24.862 0.2 . 2 . . . . 126 LEU CD2 . 16311 1 1413 . 2 2 28 28 LEU CG C 13 27.052 0.2 . 1 . . . . 126 LEU CG . 16311 1 1414 . 2 2 28 28 LEU N N 15 120.818 0.2 . 1 . . . . 126 LEU N . 16311 1 1415 . 2 2 29 29 LYS H H 1 7.944 0.02 . 1 . . . . 127 LYS HN . 16311 1 1416 . 2 2 29 29 LYS HA H 1 4.270 0.02 . 1 . . . . 127 LYS HA . 16311 1 1417 . 2 2 29 29 LYS HB2 H 1 1.815 0.02 . 2 . . . . 127 LYS HB1 . 16311 1 1418 . 2 2 29 29 LYS HB3 H 1 1.845 0.02 . 2 . . . . 127 LYS HB2 . 16311 1 1419 . 2 2 29 29 LYS HD2 H 1 1.713 0.02 . 2 . . . . 127 LYS HD1 . 16311 1 1420 . 2 2 29 29 LYS HD3 H 1 1.713 0.02 . 2 . . . . 127 LYS HD2 . 16311 1 1421 . 2 2 29 29 LYS HE2 H 1 3.192 0.02 . 2 . . . . 127 LYS HE1 . 16311 1 1422 . 2 2 29 29 LYS HE3 H 1 3.192 0.02 . 2 . . . . 127 LYS HE2 . 16311 1 1423 . 2 2 29 29 LYS HG2 H 1 1.490 0.02 . 2 . . . . 127 LYS HG1 . 16311 1 1424 . 2 2 29 29 LYS HG3 H 1 1.490 0.02 . 2 . . . . 127 LYS HG2 . 16311 1 1425 . 2 2 29 29 LYS C C 13 176.951 0.2 . 1 . . . . 127 LYS C . 16311 1 1426 . 2 2 29 29 LYS CA C 13 57.168 0.2 . 1 . . . . 127 LYS CA . 16311 1 1427 . 2 2 29 29 LYS CB C 13 32.755 0.2 . 1 . . . . 127 LYS CB . 16311 1 1428 . 2 2 29 29 LYS CD C 13 26.976 0.2 . 1 . . . . 127 LYS CD . 16311 1 1429 . 2 2 29 29 LYS CE C 13 43.198 0.2 . 1 . . . . 127 LYS CE . 16311 1 1430 . 2 2 29 29 LYS CG C 13 24.796 0.2 . 1 . . . . 127 LYS CG . 16311 1 1431 . 2 2 29 29 LYS N N 15 119.960 0.2 . 1 . . . . 127 LYS N . 16311 1 1432 . 2 2 30 30 SER H H 1 8.030 0.02 . 1 . . . . 128 SER HN . 16311 1 1433 . 2 2 30 30 SER HA H 1 4.466 0.02 . 1 . . . . 128 SER HA . 16311 1 1434 . 2 2 30 30 SER HB2 H 1 3.890 0.02 . 2 . . . . 128 SER HB1 . 16311 1 1435 . 2 2 30 30 SER HB3 H 1 3.890 0.02 . 2 . . . . 128 SER HB2 . 16311 1 1436 . 2 2 30 30 SER C C 13 176.101 0.2 . 1 . . . . 128 SER C . 16311 1 1437 . 2 2 30 30 SER CA C 13 58.590 0.2 . 1 . . . . 128 SER CA . 16311 1 1438 . 2 2 30 30 SER CB C 13 63.939 0.2 . 1 . . . . 128 SER CB . 16311 1 1439 . 2 2 30 30 SER N N 15 115.496 0.2 . 1 . . . . 128 SER N . 16311 1 1440 . 2 2 31 31 GLU H H 1 8.157 0.02 . 1 . . . . 129 GLU HN . 16311 1 1441 . 2 2 31 31 GLU HA H 1 4.291 0.02 . 1 . . . . 129 GLU HA . 16311 1 1442 . 2 2 31 31 GLU HB2 H 1 1.888 0.02 . 2 . . . . 129 GLU HB1 . 16311 1 1443 . 2 2 31 31 GLU HB3 H 1 1.888 0.02 . 2 . . . . 129 GLU HB2 . 16311 1 1444 . 2 2 31 31 GLU HG2 H 1 2.226 0.02 . 2 . . . . 129 GLU HG1 . 16311 1 1445 . 2 2 31 31 GLU HG3 H 1 2.226 0.02 . 2 . . . . 129 GLU HG2 . 16311 1 1446 . 2 2 31 31 GLU C C 13 175.112 0.2 . 1 . . . . 129 GLU C . 16311 1 1447 . 2 2 31 31 GLU CA C 13 56.654 0.2 . 1 . . . . 129 GLU CA . 16311 1 1448 . 2 2 31 31 GLU CB C 13 30.389 0.2 . 1 . . . . 129 GLU CB . 16311 1 1449 . 2 2 31 31 GLU CG C 13 36.323 0.2 . 1 . . . . 129 GLU CG . 16311 1 1450 . 2 2 31 31 GLU N N 15 122.569 0.2 . 1 . . . . 129 GLU N . 16311 1 1451 . 2 2 32 32 TYR H H 1 7.618 0.02 . 1 . . . . 130 TYR HN . 16311 1 1452 . 2 2 32 32 TYR HA H 1 4.401 0.02 . 1 . . . . 130 TYR HA . 16311 1 1453 . 2 2 32 32 TYR HB2 H 1 3.090 0.02 . 2 . . . . 130 TYR HB1 . 16311 1 1454 . 2 2 32 32 TYR HB3 H 1 2.893 0.02 . 2 . . . . 130 TYR HB2 . 16311 1 1455 . 2 2 32 32 TYR HD1 H 1 7.105 0.02 . 3 . . . . 130 TYR HD1 . 16311 1 1456 . 2 2 32 32 TYR HD2 H 1 7.105 0.02 . 3 . . . . 130 TYR HD2 . 16311 1 1457 . 2 2 32 32 TYR HE1 H 1 6.812 0.02 . 3 . . . . 130 TYR HE1 . 16311 1 1458 . 2 2 32 32 TYR HE2 H 1 6.812 0.02 . 3 . . . . 130 TYR HE2 . 16311 1 1459 . 2 2 32 32 TYR C C 13 174.257 0.2 . 1 . . . . 130 TYR C . 16311 1 1460 . 2 2 32 32 TYR CA C 13 59.163 0.2 . 1 . . . . 130 TYR CA . 16311 1 1461 . 2 2 32 32 TYR CB C 13 39.485 0.2 . 1 . . . . 130 TYR CB . 16311 1 1462 . 2 2 32 32 TYR CD1 C 13 132.943 0.2 . 3 . . . . 130 TYR CD1 . 16311 1 1463 . 2 2 32 32 TYR CD2 C 13 132.943 0.2 . 3 . . . . 130 TYR CD2 . 16311 1 1464 . 2 2 32 32 TYR CE1 C 13 118.053 0.2 . 3 . . . . 130 TYR CE1 . 16311 1 1465 . 2 2 32 32 TYR CE2 C 13 118.053 0.2 . 3 . . . . 130 TYR CE2 . 16311 1 1466 . 2 2 32 32 TYR N N 15 125.071 0.2 . 1 . . . . 130 TYR N . 16311 1 stop_ save_