data_11115 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11115 _Entry.Title ; Complex structure of the zf-CW domain and the H3K4me3 peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-24 _Entry.Accession_date 2010-03-24 _Entry.Last_release_date 2010-10-01 _Entry.Original_release_date 2010-10-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 Fahu He . . . 11115 2 Yutaka Muto . . . 11115 3 Makoto Inoue . . . 11115 4 Takanori Kigawa . . . 11115 5 Mikako Shirouzu . . . 11115 6 Takaho Terada . . . 11115 7 Shigeyuki Yokoyama . . . 11115 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 . RSGI 'RIKEN Structural Genomics/Proteomics Initiative' . 11115 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ZCWPW1 . 11115 'zf-CW domain' . 11115 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11115 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 272 11115 '15N chemical shifts' 75 11115 '1H chemical shifts' 496 11115 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-10-01 2010-03-24 original author . 11115 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E61 'free state structure of zf-CW' 11115 PDB 2RR4 'BMRB Entry Tracking System' 11115 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11115 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20826339 _Citation.Full_citation . _Citation.Title 'Structural insight into the zinc finger CW domain as a histone modification reader' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 9 _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 1127 _Citation.Page_last 1139 _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 Fahu He . . . 11115 1 2 Takashi Umehara . . . 11115 1 3 Kohei Saito . . . 11115 1 4 Takushi Harada . . . 11115 1 5 Satoru Watanabe . . . 11115 1 6 Takashi Yabuki . . . 11115 1 7 Takanori Kigawa . . . 11115 1 8 Mari Takahashi . . . 11115 1 9 Kanako Kuwasako . . . 11115 1 10 Kengo Tsuda . . . 11115 1 11 Takayoshi Matsuda . . . 11115 1 12 Masaaki Aoki . . . 11115 1 13 Eiko Seki . . . 11115 1 14 Naohiro Kobayashi . . . 11115 1 15 Peter Guntert . . . 11115 1 16 Shigeyuki Yokoyama . . . 11115 1 17 Yutaka Muto . . . 11115 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11115 _Assembly.ID 1 _Assembly.Name 'Complex structure of the zf-CW domain and the H3K4me3 peptide' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'zf-CW domain' 1 $entity_1 A . yes native no no . . . 11115 1 2 'H3K4me3 peptide' 2 $entity_2 B . yes native no no . . . 11115 1 3 'ZINC ION' 3 $ZN C . no native no no . . . 11115 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 coordination single . 1 'zf-CW domain' 1 CYS 21 21 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . . 21 CYS SG . . . . ZN 11115 1 2 coordination single . 1 'zf-CW domain' 1 CYS 26 26 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . . 26 CYS SG . . . . ZN 11115 1 3 coordination single . 1 'zf-CW domain' 1 CYS 47 47 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . . 47 CYS SG . . . . ZN 11115 1 4 coordination single . 1 'zf-CW domain' 1 CYS 58 58 SG . 3 'ZINC ION' 3 ZN 1 1 ZN . . 58 CYS SG . . . . ZN 11115 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 47 47 HG . 47 CYS HG 11115 1 . . 1 1 CYS 58 58 HG . 58 CYS HG 11115 1 . . 1 1 CYS 21 21 HG . 21 CYS HG 11115 1 . . 1 1 CYS 26 26 HG . 26 CYS HG 11115 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2E61 . . 'solution NMR' . . 'free state structure of zf-CW' 11115 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11115 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'zf-CW domain' _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 ; GSSGSSGEISGFGQCLVWVQ CSFPNCGKWRRLCGNIDPSV LPDNWSCDQNTDVQYNRCDI PEETWTGLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'zf-CW domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7648.395 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11358 . "zf-CW domain" . . . . . 100.00 69 100.00 100.00 1.57e-41 . . . . 11115 1 2 no BMRB 11359 . "zf-CW domain" . . . . . 100.00 69 100.00 100.00 1.57e-41 . . . . 11115 1 3 no BMRB 11360 . "zf-CW domain" . . . . . 100.00 69 100.00 100.00 1.57e-41 . . . . 11115 1 4 no BMRB 11361 . "zf-CW domain" . . . . . 100.00 69 100.00 100.00 1.57e-41 . . . . 11115 1 5 no BMRB 11362 . "zf-CW domain" . . . . . 100.00 69 100.00 100.00 1.57e-41 . . . . 11115 1 6 no PDB 2E61 . "Solution Structure Of The Zf-Cw Domain In Zinc Finger Cw-Type Pwwp Domain Protein 1" . . . . . 100.00 69 100.00 100.00 1.57e-41 . . . . 11115 1 7 no PDB 2RR4 . "Complex Structure Of The Zf-Cw Domain And The H3k4me3 Peptide" . . . . . 100.00 69 100.00 100.00 1.57e-41 . . . . 11115 1 8 no DBJ BAA91424 . "unnamed protein product [Homo sapiens]" . . . . . 92.75 403 98.44 98.44 6.04e-38 . . . . 11115 1 9 no DBJ BAC04028 . "unnamed protein product [Homo sapiens]" . . . . . 94.20 468 96.92 96.92 1.44e-36 . . . . 11115 1 10 no DBJ BAG62414 . "unnamed protein product [Homo sapiens]" . . . . . 92.75 524 98.44 98.44 3.75e-38 . . . . 11115 1 11 no DBJ BAG63489 . "unnamed protein product [Homo sapiens]" . . . . . 92.75 609 98.44 98.44 2.63e-38 . . . . 11115 1 12 no EMBL CAB66669 . "hypothetical protein [Homo sapiens]" . . . . . 92.75 494 98.44 98.44 2.53e-38 . . . . 11115 1 13 no GB AAH02725 . "ZCWPW1 protein [Homo sapiens]" . . . . . 92.75 477 98.44 98.44 3.78e-38 . . . . 11115 1 14 no GB AIC60275 . "ZCWPW1, partial [synthetic construct]" . . . . . 92.75 477 98.44 98.44 3.78e-38 . . . . 11115 1 15 no GB EAW76538 . "zinc finger, CW type with PWWP domain 1, isoform CRA_a [Homo sapiens]" . . . . . 92.75 649 98.44 98.44 2.66e-38 . . . . 11115 1 16 no GB EAW76539 . "zinc finger, CW type with PWWP domain 1, isoform CRA_b, partial [Homo sapiens]" . . . . . 91.30 598 100.00 100.00 2.22e-38 . . . . 11115 1 17 no GB EAW76540 . "zinc finger, CW type with PWWP domain 1, isoform CRA_c [Homo sapiens]" . . . . . 92.75 524 98.44 98.44 3.75e-38 . . . . 11115 1 18 no REF NP_001244937 . "zinc finger CW-type PWWP domain protein 1 isoform 2 [Homo sapiens]" . . . . . 92.75 524 98.44 98.44 3.75e-38 . . . . 11115 1 19 no REF NP_060454 . "zinc finger CW-type PWWP domain protein 1 isoform 1 [Homo sapiens]" . . . . . 92.75 648 98.44 98.44 2.51e-38 . . . . 11115 1 20 no REF XP_002803268 . "PREDICTED: zinc finger CW-type PWWP domain protein 1-like [Macaca mulatta]" . . . . . 91.30 577 98.41 98.41 2.69e-37 . . . . 11115 1 21 no REF XP_003318693 . "PREDICTED: zinc finger CW-type PWWP domain protein 1 isoform X4 [Pan troglodytes]" . . . . . 91.30 648 100.00 100.00 2.53e-38 . . . . 11115 1 22 no REF XP_003318694 . "PREDICTED: zinc finger CW-type PWWP domain protein 1 isoform X11 [Pan troglodytes]" . . . . . 92.75 524 98.44 98.44 4.23e-38 . . . . 11115 1 23 no SP Q9H0M4 . "RecName: Full=Zinc finger CW-type PWWP domain protein 1" . . . . . 92.75 648 98.44 98.44 2.51e-38 . . . . 11115 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 . GLY . 11115 1 2 . SER . 11115 1 3 . SER . 11115 1 4 . GLY . 11115 1 5 . SER . 11115 1 6 . SER . 11115 1 7 . GLY . 11115 1 8 . GLU . 11115 1 9 . ILE . 11115 1 10 . SER . 11115 1 11 . GLY . 11115 1 12 . PHE . 11115 1 13 . GLY . 11115 1 14 . GLN . 11115 1 15 . CYS . 11115 1 16 . LEU . 11115 1 17 . VAL . 11115 1 18 . TRP . 11115 1 19 . VAL . 11115 1 20 . GLN . 11115 1 21 . CYS . 11115 1 22 . SER . 11115 1 23 . PHE . 11115 1 24 . PRO . 11115 1 25 . ASN . 11115 1 26 . CYS . 11115 1 27 . GLY . 11115 1 28 . LYS . 11115 1 29 . TRP . 11115 1 30 . ARG . 11115 1 31 . ARG . 11115 1 32 . LEU . 11115 1 33 . CYS . 11115 1 34 . GLY . 11115 1 35 . ASN . 11115 1 36 . ILE . 11115 1 37 . ASP . 11115 1 38 . PRO . 11115 1 39 . SER . 11115 1 40 . VAL . 11115 1 41 . LEU . 11115 1 42 . PRO . 11115 1 43 . ASP . 11115 1 44 . ASN . 11115 1 45 . TRP . 11115 1 46 . SER . 11115 1 47 . CYS . 11115 1 48 . ASP . 11115 1 49 . GLN . 11115 1 50 . ASN . 11115 1 51 . THR . 11115 1 52 . ASP . 11115 1 53 . VAL . 11115 1 54 . GLN . 11115 1 55 . TYR . 11115 1 56 . ASN . 11115 1 57 . ARG . 11115 1 58 . CYS . 11115 1 59 . ASP . 11115 1 60 . ILE . 11115 1 61 . PRO . 11115 1 62 . GLU . 11115 1 63 . GLU . 11115 1 64 . THR . 11115 1 65 . TRP . 11115 1 66 . THR . 11115 1 67 . GLY . 11115 1 68 . LEU . 11115 1 69 . GLU . 11115 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 . GLY 1 1 11115 1 . SER 2 2 11115 1 . SER 3 3 11115 1 . GLY 4 4 11115 1 . SER 5 5 11115 1 . SER 6 6 11115 1 . GLY 7 7 11115 1 . GLU 8 8 11115 1 . ILE 9 9 11115 1 . SER 10 10 11115 1 . GLY 11 11 11115 1 . PHE 12 12 11115 1 . GLY 13 13 11115 1 . GLN 14 14 11115 1 . CYS 15 15 11115 1 . LEU 16 16 11115 1 . VAL 17 17 11115 1 . TRP 18 18 11115 1 . VAL 19 19 11115 1 . GLN 20 20 11115 1 . CYS 21 21 11115 1 . SER 22 22 11115 1 . PHE 23 23 11115 1 . PRO 24 24 11115 1 . ASN 25 25 11115 1 . CYS 26 26 11115 1 . GLY 27 27 11115 1 . LYS 28 28 11115 1 . TRP 29 29 11115 1 . ARG 30 30 11115 1 . ARG 31 31 11115 1 . LEU 32 32 11115 1 . CYS 33 33 11115 1 . GLY 34 34 11115 1 . ASN 35 35 11115 1 . ILE 36 36 11115 1 . ASP 37 37 11115 1 . PRO 38 38 11115 1 . SER 39 39 11115 1 . VAL 40 40 11115 1 . LEU 41 41 11115 1 . PRO 42 42 11115 1 . ASP 43 43 11115 1 . ASN 44 44 11115 1 . TRP 45 45 11115 1 . SER 46 46 11115 1 . CYS 47 47 11115 1 . ASP 48 48 11115 1 . GLN 49 49 11115 1 . ASN 50 50 11115 1 . THR 51 51 11115 1 . ASP 52 52 11115 1 . VAL 53 53 11115 1 . GLN 54 54 11115 1 . TYR 55 55 11115 1 . ASN 56 56 11115 1 . ARG 57 57 11115 1 . CYS 58 58 11115 1 . ASP 59 59 11115 1 . ILE 60 60 11115 1 . PRO 61 61 11115 1 . GLU 62 62 11115 1 . GLU 63 63 11115 1 . THR 64 64 11115 1 . TRP 65 65 11115 1 . THR 66 66 11115 1 . GLY 67 67 11115 1 . LEU 68 68 11115 1 . GLU 69 69 11115 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 11115 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'H3K4me3 peptide' _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 ARTXQTARKS _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'contains N-TRIMETHYLLYSINE, instead of 4K' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 10 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Histone H3 tail' _Entity.Mutation M3L _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1192.423 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 101 ALA . 11115 2 2 102 ARG . 11115 2 3 103 THR . 11115 2 4 104 M3L . 11115 2 5 105 GLN . 11115 2 6 106 THR . 11115 2 7 107 ALA . 11115 2 8 108 ARG . 11115 2 9 109 LYS . 11115 2 10 110 SER . 11115 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 . ALA 1 1 11115 2 . ARG 2 2 11115 2 . THR 3 3 11115 2 . M3L 4 4 11115 2 . GLN 5 5 11115 2 . THR 6 6 11115 2 . ALA 7 7 11115 2 . ARG 8 8 11115 2 . LYS 9 9 11115 2 . SER 10 10 11115 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 11115 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 11115 3 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 11115 _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 . . . . . . . . . . . . . . . . ZCWPW1 . . . . 11115 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'Hitsone H3' . . . . 11115 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 11115 _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . P060116-12 . . . . . . 11115 1 2 2 $entity_2 . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11115 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_M3L _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_M3L _Chem_comp.Entry_ID 11115 _Chem_comp.ID M3L _Chem_comp.Provenance . _Chem_comp.Name N-TRIMETHYLLYSINE _Chem_comp.Type 'L-peptide linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code M3L _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code K _Chem_comp.Three_letter_code M3L _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID LYS _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C9 H21 N2 O2' _Chem_comp.Formula_weight 189.275 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1IRV _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:04:00 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C[N+](C)(C)CCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 11115 M3L C[N+](C)(C)CCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11115 M3L C[N+](C)(C)CCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 11115 M3L C[N+](C)(C)CCCC[CH](N)C(O)=O SMILES CACTVS 3.341 11115 M3L InChI=1/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1/fC9H21N2O2/h12H/q+1 InChI InChI 1.02b 11115 M3L MXNRLFUSFKVQSK-BYHWLUTBDQ InChIKey InChI 1.02b 11115 M3L O=C(O)C(N)CCCC[N+](C)(C)C SMILES ACDLabs 10.04 11115 M3L stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID [(5S)-5-amino-6-hydroxy-6-oxo-hexyl]-trimethyl-azanium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11115 M3L N-[(5S)-5-amino-5-carboxypentyl]-N,N-dimethylmethanaminium 'SYSTEMATIC NAME' ACDLabs 10.04 11115 M3L stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C . C . . C . . N 0 . . . . . . . . . . -3.379 . 10.187 . 13.922 . 3.798 0.327 0.065 . . 11115 M3L CA . CA . . C . . S 0 . . . . . . . . . . -3.102 . 11.614 . 14.365 . 2.588 -0.365 -0.509 . . 11115 M3L CB . CB . . C . . N 0 . . . . . . . . . . -4.189 . 12.119 . 15.335 . 1.322 0.202 0.136 . . 11115 M3L CD . CD . . C . . N 0 . . . . . . . . . . -4.441 . 13.558 . 17.321 . -1.176 0.157 0.110 . . 11115 M3L CE . CE . . C . . N 0 . . . . . . . . . . -3.694 . 14.657 . 18.071 . -2.408 -0.455 -0.560 . . 11115 M3L CG . CG . . C . . N 0 . . . . . . . . . . -3.880 . 13.549 . 15.831 . 0.090 -0.410 -0.535 . . 11115 M3L CM1 . CM1 . . C . . N 0 . . . . . . . . . . -4.397 . 14.369 . 20.286 . -3.648 1.549 -0.111 . . 11115 M3L CM2 . CM2 . . C . . N 0 . . . . . . . . . . -4.155 . 16.639 . 19.590 . -3.632 -0.237 1.491 . . 11115 M3L CM3 . CM3 . . C . . N 0 . . . . . . . . . . -5.970 . 15.303 . 18.583 . -4.806 -0.498 -0.585 . . 11115 M3L H . H . . H . . N 0 . . . . . . . . . . -2.094 . 12.204 . 12.614 . 2.704 -1.910 0.766 . . 11115 M3L H2 . H2 . . H . . N 0 . . . . . . . . . . -2.573 . 13.463 . 13.613 . 1.802 -2.211 -0.544 . . 11115 M3L HA . HA . . H . . N 0 . . . . . . . . . . -2.146 . 11.591 . 14.939 . 2.553 -0.200 -1.586 . . 11115 M3L HB2 . HB2 . . H . . N 0 . . . . . . . . . . -5.204 . 12.054 . 14.880 . 1.304 1.285 0.010 . . 11115 M3L HB3 . HB3 . . H . . N 0 . . . . . . . . . . -4.337 . 11.414 . 16.186 . 1.315 -0.040 1.198 . . 11115 M3L HD2 . HD2 . . H . . N 0 . . . . . . . . . . -5.549 . 13.668 . 17.371 . -1.194 1.240 -0.016 . . 11115 M3L HD3 . HD3 . . H . . N 0 . . . . . . . . . . -4.374 . 12.563 . 17.820 . -1.182 -0.085 1.173 . . 11115 M3L HE2 . HE2 . . H . . N 0 . . . . . . . . . . -2.739 . 14.282 . 18.507 . -2.389 -1.537 -0.435 . . 11115 M3L HE3 . HE3 . . H . . N 0 . . . . . . . . . . -3.272 . 15.418 . 17.374 . -2.401 -0.212 -1.623 . . 11115 M3L HG2 . HG2 . . H . . N 0 . . . . . . . . . . -2.809 . 13.847 . 15.739 . 0.109 -1.492 -0.409 . . 11115 M3L HG3 . HG3 . . H . . N 0 . . . . . . . . . . -4.284 . 14.359 . 15.181 . 0.097 -0.167 -1.598 . . 11115 M3L HM11 . HM11 . . H . . N 0 . . . . . . . . . . -5.050 . 14.834 . 21.060 . -2.771 1.985 0.367 . . 11115 M3L HM12 . HM12 . . H . . N 0 . . . . . . . . . . -4.612 . 13.295 . 20.077 . -3.641 1.791 -1.173 . . 11115 M3L HM13 . HM13 . . H . . N 0 . . . . . . . . . . -3.339 . 14.210 . 20.601 . -4.550 1.953 0.349 . . 11115 M3L HM21 . HM21 . . H . . N 0 . . . . . . . . . . -4.808 . 17.104 . 20.364 . -4.534 0.167 1.950 . . 11115 M3L HM22 . HM22 . . H . . N 0 . . . . . . . . . . -3.101 . 16.605 . 19.953 . -3.614 -1.320 1.616 . . 11115 M3L HM23 . HM23 . . H . . N 0 . . . . . . . . . . -4.045 . 17.329 . 18.721 . -2.755 0.199 1.968 . . 11115 M3L HM31 . HM31 . . H . . N 0 . . . . . . . . . . -6.623 . 15.768 . 19.357 . -4.799 -0.255 -1.648 . . 11115 M3L HM32 . HM32 . . H . . N 0 . . . . . . . . . . -6.049 . 15.806 . 17.591 . -4.788 -1.581 -0.459 . . 11115 M3L HM33 . HM33 . . H . . N 0 . . . . . . . . . . -6.326 . 14.295 . 18.266 . -5.708 -0.094 -0.126 . . 11115 M3L HXT . HXT . . H . . N 0 . . . . . . . . . . -3.940 . 9.184 . 12.428 . 4.929 1.985 -0.016 . . 11115 M3L N . N . . N . . N 0 . . . . . . . . . . -2.814 . 12.539 . 13.256 . 2.673 -1.806 -0.237 . . 11115 M3L NZ . NZ . . N . . N 1 . . . . . . . . . . -4.572 . 15.283 . 19.112 . -3.623 0.090 0.059 . . 11115 M3L O . O . . O . . N 0 . . . . . . . . . . -3.248 . 9.276 . 14.755 . 4.447 -0.211 0.930 . . 11115 M3L OXT . OXT . . O . . N 0 . . . . . . . . . . -3.767 . 10.077 . 12.705 . 4.153 1.541 -0.384 . . 11115 M3L stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N CA . . . . 11115 M3L 2 . SING N H . . . . 11115 M3L 3 . SING N H2 . . . . 11115 M3L 4 . SING CA CB . . . . 11115 M3L 5 . SING CA C . . . . 11115 M3L 6 . SING CA HA . . . . 11115 M3L 7 . SING CB CG . . . . 11115 M3L 8 . SING CB HB2 . . . . 11115 M3L 9 . SING CB HB3 . . . . 11115 M3L 10 . SING CG CD . . . . 11115 M3L 11 . SING CG HG2 . . . . 11115 M3L 12 . SING CG HG3 . . . . 11115 M3L 13 . SING CD CE . . . . 11115 M3L 14 . SING CD HD2 . . . . 11115 M3L 15 . SING CD HD3 . . . . 11115 M3L 16 . SING CE NZ . . . . 11115 M3L 17 . SING CE HE2 . . . . 11115 M3L 18 . SING CE HE3 . . . . 11115 M3L 19 . SING NZ CM1 . . . . 11115 M3L 20 . SING NZ CM2 . . . . 11115 M3L 21 . SING NZ CM3 . . . . 11115 M3L 22 . DOUB C O . . . . 11115 M3L 23 . SING C OXT . . . . 11115 M3L 24 . SING OXT HXT . . . . 11115 M3L 25 . SING CM1 HM11 . . . . 11115 M3L 26 . SING CM1 HM12 . . . . 11115 M3L 27 . SING CM1 HM13 . . . . 11115 M3L 28 . SING CM2 HM21 . . . . 11115 M3L 29 . SING CM2 HM22 . . . . 11115 M3L 30 . SING CM2 HM23 . . . . 11115 M3L 31 . SING CM3 HM31 . . . . 11115 M3L 32 . SING CM3 HM32 . . . . 11115 M3L 33 . SING CM3 HM33 . . . . 11115 M3L stop_ save_ save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 11115 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 11115 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11115 ZN [Zn++] SMILES CACTVS 3.341 11115 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 11115 ZN [Zn+2] SMILES ACDLabs 10.04 11115 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11115 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11115 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 11115 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11115 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . . . . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 . . 11115 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11115 _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 'zf-CW domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.1 . . mM . . . . 11115 1 2 'H3K4me3 peptide' 'natural abundance' . . 2 $entity_2 . protein 1.1 . . mM . . . . 11115 1 3 'ZINC ION' 'natural abundance' . . 3 $ZN . ligand 50 . . uM . . . . 11115 1 4 D-TRIS-HCL . . . . . . buffer 20 . . mM . . . . 11115 1 5 NACL . . . . . . salt 100 . . mM . . . . 11115 1 6 D-DTT . . . . . . 'reducing agent' 1 . . mM . . . . 11115 1 7 NAN3 . . . . . . 'antimicrobial agent' 0.02 . . % . . . . 11115 1 8 ZNCL2 . . . . . . salt 50 . . uM . . . . 11115 1 9 IDA . . . . . . salt 1 . . mM . . . . 11115 1 10 H2O . . . . . . solvent 90 . . % . . . . 11115 1 11 D2O . . . . . . solvent 10 . . % . . . . 11115 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11115 _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' 120 . mM 11115 1 pH 7.0 . pH 11115 1 pressure 1 . atm 11115 1 temperature 298 . K 11115 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11115 _Software.ID 1 _Software.Name NMRPipe _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11115 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11115 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11115 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11115 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11115 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11115 _Software.ID 3 _Software.Name AMBER _Software.Version 9.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 11115 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11115 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11115 _Software.ID 4 _Software.Name NMRView _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11115 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11115 4 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11115 _Software.ID 5 _Software.Name xwinnmr _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11115 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11115 5 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11115 _Software.ID 6 _Software.Name Kujira _Software.Version 0.9839 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Naohiro Kobayashi' . . 11115 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11115 6 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 11115 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11115 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 11115 _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 . . . 11115 1 2 spectrometer_2 Bruker DRX . 600 . . . 11115 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 11115 _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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11115 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11115 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 11115 _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 na indirect 0.251449530 . . . . . . . . . 11115 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11115 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11115 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 11115 _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 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11115 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11115 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 6 $Kujira . . 11115 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 6 6 SER HA H 1 4.466 0.030 . 1 . . . . 6 SER HA . 11115 1 2 . 1 1 6 6 SER HB2 H 1 3.894 0.030 . 1 . . . . 6 SER HB2 . 11115 1 3 . 1 1 6 6 SER HB3 H 1 3.894 0.030 . 1 . . . . 6 SER HB3 . 11115 1 4 . 1 1 6 6 SER C C 13 175.038 0.300 . 1 . . . . 6 SER C . 11115 1 5 . 1 1 6 6 SER CA C 13 58.773 0.300 . 1 . . . . 6 SER CA . 11115 1 6 . 1 1 6 6 SER CB C 13 63.894 0.300 . 1 . . . . 6 SER CB . 11115 1 7 . 1 1 7 7 GLY H H 1 8.365 0.030 . 1 . . . . 7 GLY H . 11115 1 8 . 1 1 7 7 GLY HA2 H 1 3.952 0.030 . 1 . . . . 7 GLY HA2 . 11115 1 9 . 1 1 7 7 GLY HA3 H 1 3.952 0.030 . 1 . . . . 7 GLY HA3 . 11115 1 10 . 1 1 7 7 GLY C C 13 174.012 0.300 . 1 . . . . 7 GLY C . 11115 1 11 . 1 1 7 7 GLY CA C 13 45.364 0.300 . 1 . . . . 7 GLY CA . 11115 1 12 . 1 1 7 7 GLY N N 15 110.582 0.300 . 1 . . . . 7 GLY N . 11115 1 13 . 1 1 8 8 GLU H H 1 8.203 0.030 . 1 . . . . 8 GLU H . 11115 1 14 . 1 1 8 8 GLU HA H 1 4.284 0.030 . 1 . . . . 8 GLU HA . 11115 1 15 . 1 1 8 8 GLU HB2 H 1 2.011 0.030 . 2 . . . . 8 GLU HB2 . 11115 1 16 . 1 1 8 8 GLU HB3 H 1 1.901 0.030 . 2 . . . . 8 GLU HB3 . 11115 1 17 . 1 1 8 8 GLU HG2 H 1 2.216 0.030 . 1 . . . . 8 GLU HG2 . 11115 1 18 . 1 1 8 8 GLU HG3 H 1 2.216 0.030 . 1 . . . . 8 GLU HG3 . 11115 1 19 . 1 1 8 8 GLU C C 13 176.604 0.300 . 1 . . . . 8 GLU C . 11115 1 20 . 1 1 8 8 GLU CA C 13 56.541 0.300 . 1 . . . . 8 GLU CA . 11115 1 21 . 1 1 8 8 GLU CB C 13 30.349 0.300 . 1 . . . . 8 GLU CB . 11115 1 22 . 1 1 8 8 GLU CG C 13 36.187 0.300 . 1 . . . . 8 GLU CG . 11115 1 23 . 1 1 8 8 GLU N N 15 120.674 0.300 . 1 . . . . 8 GLU N . 11115 1 24 . 1 1 9 9 ILE H H 1 8.213 0.030 . 1 . . . . 9 ILE H . 11115 1 25 . 1 1 9 9 ILE HA H 1 4.181 0.030 . 1 . . . . 9 ILE HA . 11115 1 26 . 1 1 9 9 ILE HB H 1 1.853 0.030 . 1 . . . . 9 ILE HB . 11115 1 27 . 1 1 9 9 ILE HD11 H 1 0.808 0.030 . 1 . . . . 9 ILE HD1 . 11115 1 28 . 1 1 9 9 ILE HD12 H 1 0.808 0.030 . 1 . . . . 9 ILE HD1 . 11115 1 29 . 1 1 9 9 ILE HD13 H 1 0.808 0.030 . 1 . . . . 9 ILE HD1 . 11115 1 30 . 1 1 9 9 ILE HG12 H 1 1.430 0.030 . 2 . . . . 9 ILE HG12 . 11115 1 31 . 1 1 9 9 ILE HG13 H 1 1.156 0.030 . 2 . . . . 9 ILE HG13 . 11115 1 32 . 1 1 9 9 ILE HG21 H 1 0.869 0.030 . 1 . . . . 9 ILE HG2 . 11115 1 33 . 1 1 9 9 ILE HG22 H 1 0.869 0.030 . 1 . . . . 9 ILE HG2 . 11115 1 34 . 1 1 9 9 ILE HG23 H 1 0.869 0.030 . 1 . . . . 9 ILE HG2 . 11115 1 35 . 1 1 9 9 ILE C C 13 176.321 0.300 . 1 . . . . 9 ILE C . 11115 1 36 . 1 1 9 9 ILE CA C 13 61.141 0.300 . 1 . . . . 9 ILE CA . 11115 1 37 . 1 1 9 9 ILE CB C 13 38.688 0.300 . 1 . . . . 9 ILE CB . 11115 1 38 . 1 1 9 9 ILE CD1 C 13 12.932 0.300 . 1 . . . . 9 ILE CD1 . 11115 1 39 . 1 1 9 9 ILE CG1 C 13 27.210 0.300 . 1 . . . . 9 ILE CG1 . 11115 1 40 . 1 1 9 9 ILE CG2 C 13 17.568 0.300 . 1 . . . . 9 ILE CG2 . 11115 1 41 . 1 1 9 9 ILE N N 15 121.818 0.300 . 1 . . . . 9 ILE N . 11115 1 42 . 1 1 10 10 SER H H 1 8.349 0.030 . 1 . . . . 10 SER H . 11115 1 43 . 1 1 10 10 SER HA H 1 4.414 0.030 . 1 . . . . 10 SER HA . 11115 1 44 . 1 1 10 10 SER HB2 H 1 3.820 0.030 . 1 . . . . 10 SER HB2 . 11115 1 45 . 1 1 10 10 SER HB3 H 1 3.820 0.030 . 1 . . . . 10 SER HB3 . 11115 1 46 . 1 1 10 10 SER C C 13 174.933 0.300 . 1 . . . . 10 SER C . 11115 1 47 . 1 1 10 10 SER CA C 13 58.445 0.300 . 1 . . . . 10 SER CA . 11115 1 48 . 1 1 10 10 SER CB C 13 63.894 0.300 . 1 . . . . 10 SER CB . 11115 1 49 . 1 1 10 10 SER N N 15 119.773 0.300 . 1 . . . . 10 SER N . 11115 1 50 . 1 1 11 11 GLY H H 1 8.315 0.030 . 1 . . . . 11 GLY H . 11115 1 51 . 1 1 11 11 GLY HA2 H 1 3.873 0.030 . 1 . . . . 11 GLY HA2 . 11115 1 52 . 1 1 11 11 GLY HA3 H 1 3.873 0.030 . 1 . . . . 11 GLY HA3 . 11115 1 53 . 1 1 11 11 GLY C C 13 173.954 0.300 . 1 . . . . 11 GLY C . 11115 1 54 . 1 1 11 11 GLY CA C 13 45.192 0.300 . 1 . . . . 11 GLY CA . 11115 1 55 . 1 1 11 11 GLY N N 15 110.779 0.300 . 1 . . . . 11 GLY N . 11115 1 56 . 1 1 12 12 PHE H H 1 8.124 0.030 . 1 . . . . 12 PHE H . 11115 1 57 . 1 1 12 12 PHE HA H 1 4.583 0.030 . 1 . . . . 12 PHE HA . 11115 1 58 . 1 1 12 12 PHE HB2 H 1 3.147 0.030 . 2 . . . . 12 PHE HB2 . 11115 1 59 . 1 1 12 12 PHE HB3 H 1 2.977 0.030 . 2 . . . . 12 PHE HB3 . 11115 1 60 . 1 1 12 12 PHE HD1 H 1 7.204 0.030 . 1 . . . . 12 PHE HD1 . 11115 1 61 . 1 1 12 12 PHE HD2 H 1 7.204 0.030 . 1 . . . . 12 PHE HD2 . 11115 1 62 . 1 1 12 12 PHE HE1 H 1 7.310 0.030 . 1 . . . . 12 PHE HE1 . 11115 1 63 . 1 1 12 12 PHE HE2 H 1 7.310 0.030 . 1 . . . . 12 PHE HE2 . 11115 1 64 . 1 1 12 12 PHE HZ H 1 7.270 0.030 . 1 . . . . 12 PHE HZ . 11115 1 65 . 1 1 12 12 PHE C C 13 176.454 0.300 . 1 . . . . 12 PHE C . 11115 1 66 . 1 1 12 12 PHE CA C 13 58.033 0.300 . 1 . . . . 12 PHE CA . 11115 1 67 . 1 1 12 12 PHE CB C 13 39.516 0.300 . 1 . . . . 12 PHE CB . 11115 1 68 . 1 1 12 12 PHE CD1 C 13 131.720 0.300 . 1 . . . . 12 PHE CD1 . 11115 1 69 . 1 1 12 12 PHE CD2 C 13 131.720 0.300 . 1 . . . . 12 PHE CD2 . 11115 1 70 . 1 1 12 12 PHE CE1 C 13 131.725 0.300 . 1 . . . . 12 PHE CE1 . 11115 1 71 . 1 1 12 12 PHE CE2 C 13 131.725 0.300 . 1 . . . . 12 PHE CE2 . 11115 1 72 . 1 1 12 12 PHE CZ C 13 129.822 0.300 . 1 . . . . 12 PHE CZ . 11115 1 73 . 1 1 12 12 PHE N N 15 119.875 0.300 . 1 . . . . 12 PHE N . 11115 1 74 . 1 1 13 13 GLY H H 1 8.363 0.030 . 1 . . . . 13 GLY H . 11115 1 75 . 1 1 13 13 GLY HA2 H 1 3.849 0.030 . 2 . . . . 13 GLY HA2 . 11115 1 76 . 1 1 13 13 GLY HA3 H 1 3.877 0.030 . 2 . . . . 13 GLY HA3 . 11115 1 77 . 1 1 13 13 GLY C C 13 173.918 0.300 . 1 . . . . 13 GLY C . 11115 1 78 . 1 1 13 13 GLY CA C 13 45.388 0.300 . 1 . . . . 13 GLY CA . 11115 1 79 . 1 1 13 13 GLY N N 15 110.283 0.300 . 1 . . . . 13 GLY N . 11115 1 80 . 1 1 14 14 GLN H H 1 8.182 0.030 . 1 . . . . 14 GLN H . 11115 1 81 . 1 1 14 14 GLN HA H 1 4.367 0.030 . 1 . . . . 14 GLN HA . 11115 1 82 . 1 1 14 14 GLN HB2 H 1 2.115 0.030 . 2 . . . . 14 GLN HB2 . 11115 1 83 . 1 1 14 14 GLN HB3 H 1 1.961 0.030 . 2 . . . . 14 GLN HB3 . 11115 1 84 . 1 1 14 14 GLN HE21 H 1 7.508 0.030 . 2 . . . . 14 GLN HE21 . 11115 1 85 . 1 1 14 14 GLN HE22 H 1 6.843 0.030 . 2 . . . . 14 GLN HE22 . 11115 1 86 . 1 1 14 14 GLN HG2 H 1 2.324 0.030 . 1 . . . . 14 GLN HG2 . 11115 1 87 . 1 1 14 14 GLN HG3 H 1 2.324 0.030 . 1 . . . . 14 GLN HG3 . 11115 1 88 . 1 1 14 14 GLN C C 13 175.626 0.300 . 1 . . . . 14 GLN C . 11115 1 89 . 1 1 14 14 GLN CA C 13 55.874 0.300 . 1 . . . . 14 GLN CA . 11115 1 90 . 1 1 14 14 GLN CB C 13 29.688 0.300 . 1 . . . . 14 GLN CB . 11115 1 91 . 1 1 14 14 GLN CG C 13 33.953 0.300 . 1 . . . . 14 GLN CG . 11115 1 92 . 1 1 14 14 GLN N N 15 119.372 0.300 . 1 . . . . 14 GLN N . 11115 1 93 . 1 1 14 14 GLN NE2 N 15 112.203 0.300 . 1 . . . . 14 GLN NE2 . 11115 1 94 . 1 1 15 15 CYS H H 1 8.320 0.030 . 1 . . . . 15 CYS H . 11115 1 95 . 1 1 15 15 CYS HA H 1 4.511 0.030 . 1 . . . . 15 CYS HA . 11115 1 96 . 1 1 15 15 CYS HB2 H 1 2.862 0.030 . 1 . . . . 15 CYS HB2 . 11115 1 97 . 1 1 15 15 CYS HB3 H 1 2.862 0.030 . 1 . . . . 15 CYS HB3 . 11115 1 98 . 1 1 15 15 CYS CA C 13 58.478 0.300 . 1 . . . . 15 CYS CA . 11115 1 99 . 1 1 15 15 CYS CB C 13 28.759 0.300 . 1 . . . . 15 CYS CB . 11115 1 100 . 1 1 15 15 CYS N N 15 119.555 0.300 . 1 . . . . 15 CYS N . 11115 1 101 . 1 1 16 16 LEU H H 1 8.484 0.030 . 1 . . . . 16 LEU H . 11115 1 102 . 1 1 16 16 LEU HA H 1 4.485 0.030 . 1 . . . . 16 LEU HA . 11115 1 103 . 1 1 16 16 LEU HB2 H 1 1.589 0.030 . 2 . . . . 16 LEU HB2 . 11115 1 104 . 1 1 16 16 LEU HB3 H 1 1.183 0.030 . 2 . . . . 16 LEU HB3 . 11115 1 105 . 1 1 16 16 LEU HD11 H 1 0.747 0.030 . 1 . . . . 16 LEU HD1 . 11115 1 106 . 1 1 16 16 LEU HD12 H 1 0.747 0.030 . 1 . . . . 16 LEU HD1 . 11115 1 107 . 1 1 16 16 LEU HD13 H 1 0.747 0.030 . 1 . . . . 16 LEU HD1 . 11115 1 108 . 1 1 16 16 LEU HD21 H 1 0.692 0.030 . 1 . . . . 16 LEU HD2 . 11115 1 109 . 1 1 16 16 LEU HD22 H 1 0.692 0.030 . 1 . . . . 16 LEU HD2 . 11115 1 110 . 1 1 16 16 LEU HD23 H 1 0.692 0.030 . 1 . . . . 16 LEU HD2 . 11115 1 111 . 1 1 16 16 LEU HG H 1 1.394 0.030 . 1 . . . . 16 LEU HG . 11115 1 112 . 1 1 16 16 LEU CA C 13 54.499 0.300 . 1 . . . . 16 LEU CA . 11115 1 113 . 1 1 16 16 LEU CB C 13 43.352 0.300 . 1 . . . . 16 LEU CB . 11115 1 114 . 1 1 16 16 LEU CD1 C 13 25.285 0.300 . 2 . . . . 16 LEU CD1 . 11115 1 115 . 1 1 16 16 LEU CD2 C 13 23.987 0.300 . 2 . . . . 16 LEU CD2 . 11115 1 116 . 1 1 16 16 LEU CG C 13 26.903 0.300 . 1 . . . . 16 LEU CG . 11115 1 117 . 1 1 16 16 LEU N N 15 124.453 0.300 . 1 . . . . 16 LEU N . 11115 1 118 . 1 1 17 17 VAL H H 1 8.395 0.030 . 1 . . . . 17 VAL H . 11115 1 119 . 1 1 17 17 VAL HA H 1 4.745 0.030 . 1 . . . . 17 VAL HA . 11115 1 120 . 1 1 17 17 VAL HB H 1 1.864 0.030 . 1 . . . . 17 VAL HB . 11115 1 121 . 1 1 17 17 VAL HG11 H 1 0.816 0.030 . 1 . . . . 17 VAL HG1 . 11115 1 122 . 1 1 17 17 VAL HG12 H 1 0.816 0.030 . 1 . . . . 17 VAL HG1 . 11115 1 123 . 1 1 17 17 VAL HG13 H 1 0.816 0.030 . 1 . . . . 17 VAL HG1 . 11115 1 124 . 1 1 17 17 VAL HG21 H 1 0.873 0.030 . 1 . . . . 17 VAL HG2 . 11115 1 125 . 1 1 17 17 VAL HG22 H 1 0.873 0.030 . 1 . . . . 17 VAL HG2 . 11115 1 126 . 1 1 17 17 VAL HG23 H 1 0.873 0.030 . 1 . . . . 17 VAL HG2 . 11115 1 127 . 1 1 17 17 VAL CA C 13 61.646 0.300 . 1 . . . . 17 VAL CA . 11115 1 128 . 1 1 17 17 VAL CB C 13 33.822 0.300 . 1 . . . . 17 VAL CB . 11115 1 129 . 1 1 17 17 VAL CG1 C 13 21.780 0.300 . 2 . . . . 17 VAL CG1 . 11115 1 130 . 1 1 17 17 VAL CG2 C 13 21.717 0.300 . 2 . . . . 17 VAL CG2 . 11115 1 131 . 1 1 17 17 VAL N N 15 122.788 0.300 . 1 . . . . 17 VAL N . 11115 1 132 . 1 1 18 18 TRP H H 1 8.728 0.030 . 1 . . . . 18 TRP H . 11115 1 133 . 1 1 18 18 TRP HA H 1 5.306 0.030 . 1 . . . . 18 TRP HA . 11115 1 134 . 1 1 18 18 TRP HB2 H 1 3.135 0.030 . 2 . . . . 18 TRP HB2 . 11115 1 135 . 1 1 18 18 TRP HB3 H 1 2.718 0.030 . 2 . . . . 18 TRP HB3 . 11115 1 136 . 1 1 18 18 TRP HD1 H 1 6.830 0.030 . 1 . . . . 18 TRP HD1 . 11115 1 137 . 1 1 18 18 TRP HE1 H 1 9.425 0.030 . 1 . . . . 18 TRP HE1 . 11115 1 138 . 1 1 18 18 TRP HE3 H 1 7.143 0.030 . 1 . . . . 18 TRP HE3 . 11115 1 139 . 1 1 18 18 TRP HH2 H 1 6.839 0.030 . 1 . . . . 18 TRP HH2 . 11115 1 140 . 1 1 18 18 TRP HZ2 H 1 6.988 0.030 . 1 . . . . 18 TRP HZ2 . 11115 1 141 . 1 1 18 18 TRP HZ3 H 1 6.852 0.030 . 1 . . . . 18 TRP HZ3 . 11115 1 142 . 1 1 18 18 TRP C C 13 175.333 0.300 . 1 . . . . 18 TRP C . 11115 1 143 . 1 1 18 18 TRP CA C 13 55.113 0.300 . 1 . . . . 18 TRP CA . 11115 1 144 . 1 1 18 18 TRP CB C 13 32.452 0.300 . 1 . . . . 18 TRP CB . 11115 1 145 . 1 1 18 18 TRP CD1 C 13 126.617 0.300 . 1 . . . . 18 TRP CD1 . 11115 1 146 . 1 1 18 18 TRP CE3 C 13 120.124 0.300 . 1 . . . . 18 TRP CE3 . 11115 1 147 . 1 1 18 18 TRP CH2 C 13 124.545 0.300 . 1 . . . . 18 TRP CH2 . 11115 1 148 . 1 1 18 18 TRP CZ2 C 13 113.957 0.300 . 1 . . . . 18 TRP CZ2 . 11115 1 149 . 1 1 18 18 TRP CZ3 C 13 122.019 0.300 . 1 . . . . 18 TRP CZ3 . 11115 1 150 . 1 1 18 18 TRP N N 15 124.973 0.300 . 1 . . . . 18 TRP N . 11115 1 151 . 1 1 18 18 TRP NE1 N 15 129.992 0.300 . 1 . . . . 18 TRP NE1 . 11115 1 152 . 1 1 19 19 VAL H H 1 9.351 0.030 . 1 . . . . 19 VAL H . 11115 1 153 . 1 1 19 19 VAL HA H 1 4.889 0.030 . 1 . . . . 19 VAL HA . 11115 1 154 . 1 1 19 19 VAL HB H 1 1.118 0.030 . 1 . . . . 19 VAL HB . 11115 1 155 . 1 1 19 19 VAL HG11 H 1 0.134 0.030 . 1 . . . . 19 VAL HG1 . 11115 1 156 . 1 1 19 19 VAL HG12 H 1 0.134 0.030 . 1 . . . . 19 VAL HG1 . 11115 1 157 . 1 1 19 19 VAL HG13 H 1 0.134 0.030 . 1 . . . . 19 VAL HG1 . 11115 1 158 . 1 1 19 19 VAL HG21 H 1 -0.279 0.030 . 1 . . . . 19 VAL HG2 . 11115 1 159 . 1 1 19 19 VAL HG22 H 1 -0.279 0.030 . 1 . . . . 19 VAL HG2 . 11115 1 160 . 1 1 19 19 VAL HG23 H 1 -0.279 0.030 . 1 . . . . 19 VAL HG2 . 11115 1 161 . 1 1 19 19 VAL C C 13 171.836 0.300 . 1 . . . . 19 VAL C . 11115 1 162 . 1 1 19 19 VAL CA C 13 59.771 0.300 . 1 . . . . 19 VAL CA . 11115 1 163 . 1 1 19 19 VAL CB C 13 35.097 0.300 . 1 . . . . 19 VAL CB . 11115 1 164 . 1 1 19 19 VAL CG1 C 13 20.479 0.300 . 2 . . . . 19 VAL CG1 . 11115 1 165 . 1 1 19 19 VAL CG2 C 13 18.347 0.300 . 2 . . . . 19 VAL CG2 . 11115 1 166 . 1 1 19 19 VAL N N 15 120.430 0.300 . 1 . . . . 19 VAL N . 11115 1 167 . 1 1 20 20 GLN H H 1 7.857 0.030 . 1 . . . . 20 GLN H . 11115 1 168 . 1 1 20 20 GLN HA H 1 4.190 0.030 . 1 . . . . 20 GLN HA . 11115 1 169 . 1 1 20 20 GLN HB2 H 1 1.119 0.030 . 2 . . . . 20 GLN HB2 . 11115 1 170 . 1 1 20 20 GLN HB3 H 1 -0.883 0.030 . 2 . . . . 20 GLN HB3 . 11115 1 171 . 1 1 20 20 GLN HE21 H 1 7.185 0.030 . 2 . . . . 20 GLN HE21 . 11115 1 172 . 1 1 20 20 GLN HE22 H 1 6.563 0.030 . 2 . . . . 20 GLN HE22 . 11115 1 173 . 1 1 20 20 GLN HG2 H 1 1.619 0.030 . 2 . . . . 20 GLN HG2 . 11115 1 174 . 1 1 20 20 GLN HG3 H 1 0.616 0.030 . 2 . . . . 20 GLN HG3 . 11115 1 175 . 1 1 20 20 GLN C C 13 175.521 0.300 . 1 . . . . 20 GLN C . 11115 1 176 . 1 1 20 20 GLN CA C 13 53.539 0.300 . 1 . . . . 20 GLN CA . 11115 1 177 . 1 1 20 20 GLN CB C 13 28.705 0.300 . 1 . . . . 20 GLN CB . 11115 1 178 . 1 1 20 20 GLN CG C 13 32.792 0.300 . 1 . . . . 20 GLN CG . 11115 1 179 . 1 1 20 20 GLN N N 15 127.517 0.300 . 1 . . . . 20 GLN N . 11115 1 180 . 1 1 20 20 GLN NE2 N 15 110.869 0.300 . 1 . . . . 20 GLN NE2 . 11115 1 181 . 1 1 21 21 CYS H H 1 8.965 0.030 . 1 . . . . 21 CYS H . 11115 1 182 . 1 1 21 21 CYS HA H 1 4.300 0.030 . 1 . . . . 21 CYS HA . 11115 1 183 . 1 1 21 21 CYS HB2 H 1 3.623 0.030 . 2 . . . . 21 CYS HB2 . 11115 1 184 . 1 1 21 21 CYS HB3 H 1 3.015 0.030 . 2 . . . . 21 CYS HB3 . 11115 1 185 . 1 1 21 21 CYS C C 13 177.190 0.300 . 1 . . . . 21 CYS C . 11115 1 186 . 1 1 21 21 CYS CA C 13 62.046 0.300 . 1 . . . . 21 CYS CA . 11115 1 187 . 1 1 21 21 CYS CB C 13 32.449 0.300 . 1 . . . . 21 CYS CB . 11115 1 188 . 1 1 21 21 CYS N N 15 129.879 0.300 . 1 . . . . 21 CYS N . 11115 1 189 . 1 1 22 22 SER H H 1 8.808 0.030 . 1 . . . . 22 SER H . 11115 1 190 . 1 1 22 22 SER HA H 1 4.203 0.030 . 1 . . . . 22 SER HA . 11115 1 191 . 1 1 22 22 SER HB2 H 1 4.049 0.030 . 2 . . . . 22 SER HB2 . 11115 1 192 . 1 1 22 22 SER HB3 H 1 3.925 0.030 . 2 . . . . 22 SER HB3 . 11115 1 193 . 1 1 22 22 SER C C 13 175.653 0.300 . 1 . . . . 22 SER C . 11115 1 194 . 1 1 22 22 SER CA C 13 60.277 0.300 . 1 . . . . 22 SER CA . 11115 1 195 . 1 1 22 22 SER CB C 13 64.825 0.300 . 1 . . . . 22 SER CB . 11115 1 196 . 1 1 22 22 SER N N 15 122.787 0.300 . 1 . . . . 22 SER N . 11115 1 197 . 1 1 23 23 PHE H H 1 8.953 0.030 . 1 . . . . 23 PHE H . 11115 1 198 . 1 1 23 23 PHE HA H 1 4.933 0.030 . 1 . . . . 23 PHE HA . 11115 1 199 . 1 1 23 23 PHE HB2 H 1 3.422 0.030 . 2 . . . . 23 PHE HB2 . 11115 1 200 . 1 1 23 23 PHE HB3 H 1 3.330 0.030 . 2 . . . . 23 PHE HB3 . 11115 1 201 . 1 1 23 23 PHE HD1 H 1 7.351 0.030 . 1 . . . . 23 PHE HD1 . 11115 1 202 . 1 1 23 23 PHE HD2 H 1 7.351 0.030 . 1 . . . . 23 PHE HD2 . 11115 1 203 . 1 1 23 23 PHE HE1 H 1 7.293 0.030 . 1 . . . . 23 PHE HE1 . 11115 1 204 . 1 1 23 23 PHE HE2 H 1 7.293 0.030 . 1 . . . . 23 PHE HE2 . 11115 1 205 . 1 1 23 23 PHE HZ H 1 7.287 0.030 . 1 . . . . 23 PHE HZ . 11115 1 206 . 1 1 23 23 PHE C C 13 177.419 0.300 . 1 . . . . 23 PHE C . 11115 1 207 . 1 1 23 23 PHE CA C 13 56.362 0.300 . 1 . . . . 23 PHE CA . 11115 1 208 . 1 1 23 23 PHE CB C 13 36.596 0.300 . 1 . . . . 23 PHE CB . 11115 1 209 . 1 1 23 23 PHE CD1 C 13 131.418 0.300 . 1 . . . . 23 PHE CD1 . 11115 1 210 . 1 1 23 23 PHE CD2 C 13 131.418 0.300 . 1 . . . . 23 PHE CD2 . 11115 1 211 . 1 1 23 23 PHE CE1 C 13 131.042 0.300 . 1 . . . . 23 PHE CE1 . 11115 1 212 . 1 1 23 23 PHE CE2 C 13 131.042 0.300 . 1 . . . . 23 PHE CE2 . 11115 1 213 . 1 1 23 23 PHE CZ C 13 129.869 0.300 . 1 . . . . 23 PHE CZ . 11115 1 214 . 1 1 23 23 PHE N N 15 127.430 0.300 . 1 . . . . 23 PHE N . 11115 1 215 . 1 1 24 24 PRO HA H 1 4.289 0.030 . 1 . . . . 24 PRO HA . 11115 1 216 . 1 1 24 24 PRO HB2 H 1 2.350 0.030 . 2 . . . . 24 PRO HB2 . 11115 1 217 . 1 1 24 24 PRO HB3 H 1 1.950 0.030 . 2 . . . . 24 PRO HB3 . 11115 1 218 . 1 1 24 24 PRO HD2 H 1 3.835 0.030 . 2 . . . . 24 PRO HD2 . 11115 1 219 . 1 1 24 24 PRO HD3 H 1 4.162 0.030 . 2 . . . . 24 PRO HD3 . 11115 1 220 . 1 1 24 24 PRO HG2 H 1 2.096 0.030 . 2 . . . . 24 PRO HG2 . 11115 1 221 . 1 1 24 24 PRO HG3 H 1 2.058 0.030 . 2 . . . . 24 PRO HG3 . 11115 1 222 . 1 1 24 24 PRO C C 13 177.435 0.300 . 1 . . . . 24 PRO C . 11115 1 223 . 1 1 24 24 PRO CA C 13 64.780 0.300 . 1 . . . . 24 PRO CA . 11115 1 224 . 1 1 24 24 PRO CB C 13 31.845 0.300 . 1 . . . . 24 PRO CB . 11115 1 225 . 1 1 24 24 PRO CD C 13 51.302 0.300 . 1 . . . . 24 PRO CD . 11115 1 226 . 1 1 24 24 PRO CG C 13 27.512 0.300 . 1 . . . . 24 PRO CG . 11115 1 227 . 1 1 25 25 ASN H H 1 8.302 0.030 . 1 . . . . 25 ASN H . 11115 1 228 . 1 1 25 25 ASN HA H 1 4.667 0.030 . 1 . . . . 25 ASN HA . 11115 1 229 . 1 1 25 25 ASN HB2 H 1 2.892 0.030 . 2 . . . . 25 ASN HB2 . 11115 1 230 . 1 1 25 25 ASN HB3 H 1 2.819 0.030 . 2 . . . . 25 ASN HB3 . 11115 1 231 . 1 1 25 25 ASN HD21 H 1 7.540 0.030 . 2 . . . . 25 ASN HD21 . 11115 1 232 . 1 1 25 25 ASN HD22 H 1 6.850 0.030 . 2 . . . . 25 ASN HD22 . 11115 1 233 . 1 1 25 25 ASN C C 13 173.836 0.300 . 1 . . . . 25 ASN C . 11115 1 234 . 1 1 25 25 ASN CA C 13 53.113 0.300 . 1 . . . . 25 ASN CA . 11115 1 235 . 1 1 25 25 ASN CB C 13 37.468 0.300 . 1 . . . . 25 ASN CB . 11115 1 236 . 1 1 25 25 ASN N N 15 112.955 0.300 . 1 . . . . 25 ASN N . 11115 1 237 . 1 1 25 25 ASN ND2 N 15 112.733 0.300 . 1 . . . . 25 ASN ND2 . 11115 1 238 . 1 1 26 26 CYS H H 1 7.984 0.030 . 1 . . . . 26 CYS H . 11115 1 239 . 1 1 26 26 CYS HA H 1 4.707 0.030 . 1 . . . . 26 CYS HA . 11115 1 240 . 1 1 26 26 CYS HB2 H 1 2.778 0.030 . 2 . . . . 26 CYS HB2 . 11115 1 241 . 1 1 26 26 CYS HB3 H 1 3.268 0.030 . 2 . . . . 26 CYS HB3 . 11115 1 242 . 1 1 26 26 CYS C C 13 176.234 0.300 . 1 . . . . 26 CYS C . 11115 1 243 . 1 1 26 26 CYS CA C 13 60.169 0.300 . 1 . . . . 26 CYS CA . 11115 1 244 . 1 1 26 26 CYS CB C 13 32.108 0.300 . 1 . . . . 26 CYS CB . 11115 1 245 . 1 1 26 26 CYS N N 15 123.474 0.300 . 1 . . . . 26 CYS N . 11115 1 246 . 1 1 27 27 GLY H H 1 7.275 0.030 . 1 . . . . 27 GLY H . 11115 1 247 . 1 1 27 27 GLY HA2 H 1 4.166 0.030 . 2 . . . . 27 GLY HA2 . 11115 1 248 . 1 1 27 27 GLY HA3 H 1 3.913 0.030 . 2 . . . . 27 GLY HA3 . 11115 1 249 . 1 1 27 27 GLY C C 13 174.507 0.300 . 1 . . . . 27 GLY C . 11115 1 250 . 1 1 27 27 GLY CA C 13 46.603 0.300 . 1 . . . . 27 GLY CA . 11115 1 251 . 1 1 27 27 GLY N N 15 104.179 0.300 . 1 . . . . 27 GLY N . 11115 1 252 . 1 1 28 28 LYS H H 1 8.799 0.030 . 1 . . . . 28 LYS H . 11115 1 253 . 1 1 28 28 LYS HA H 1 4.334 0.030 . 1 . . . . 28 LYS HA . 11115 1 254 . 1 1 28 28 LYS HB2 H 1 1.594 0.030 . 2 . . . . 28 LYS HB2 . 11115 1 255 . 1 1 28 28 LYS HB3 H 1 1.562 0.030 . 2 . . . . 28 LYS HB3 . 11115 1 256 . 1 1 28 28 LYS HD2 H 1 1.795 0.030 . 1 . . . . 28 LYS HD2 . 11115 1 257 . 1 1 28 28 LYS HD3 H 1 1.795 0.030 . 1 . . . . 28 LYS HD3 . 11115 1 258 . 1 1 28 28 LYS HE2 H 1 3.264 0.030 . 2 . . . . 28 LYS HE2 . 11115 1 259 . 1 1 28 28 LYS HE3 H 1 3.033 0.030 . 2 . . . . 28 LYS HE3 . 11115 1 260 . 1 1 28 28 LYS HG2 H 1 2.085 0.030 . 2 . . . . 28 LYS HG2 . 11115 1 261 . 1 1 28 28 LYS HG3 H 1 1.385 0.030 . 2 . . . . 28 LYS HG3 . 11115 1 262 . 1 1 28 28 LYS C C 13 175.980 0.300 . 1 . . . . 28 LYS C . 11115 1 263 . 1 1 28 28 LYS CA C 13 58.204 0.300 . 1 . . . . 28 LYS CA . 11115 1 264 . 1 1 28 28 LYS CB C 13 34.412 0.300 . 1 . . . . 28 LYS CB . 11115 1 265 . 1 1 28 28 LYS CD C 13 30.526 0.300 . 1 . . . . 28 LYS CD . 11115 1 266 . 1 1 28 28 LYS CE C 13 43.007 0.300 . 1 . . . . 28 LYS CE . 11115 1 267 . 1 1 28 28 LYS CG C 13 27.301 0.300 . 1 . . . . 28 LYS CG . 11115 1 268 . 1 1 28 28 LYS N N 15 123.383 0.300 . 1 . . . . 28 LYS N . 11115 1 269 . 1 1 29 29 TRP H H 1 9.598 0.030 . 1 . . . . 29 TRP H . 11115 1 270 . 1 1 29 29 TRP HA H 1 4.944 0.030 . 1 . . . . 29 TRP HA . 11115 1 271 . 1 1 29 29 TRP HB2 H 1 3.028 0.030 . 2 . . . . 29 TRP HB2 . 11115 1 272 . 1 1 29 29 TRP HB3 H 1 2.891 0.030 . 2 . . . . 29 TRP HB3 . 11115 1 273 . 1 1 29 29 TRP HD1 H 1 7.530 0.030 . 1 . . . . 29 TRP HD1 . 11115 1 274 . 1 1 29 29 TRP HE1 H 1 10.122 0.030 . 1 . . . . 29 TRP HE1 . 11115 1 275 . 1 1 29 29 TRP HE3 H 1 7.096 0.030 . 1 . . . . 29 TRP HE3 . 11115 1 276 . 1 1 29 29 TRP HZ2 H 1 7.233 0.030 . 1 . . . . 29 TRP HZ2 . 11115 1 277 . 1 1 29 29 TRP HZ3 H 1 6.759 0.030 . 1 . . . . 29 TRP HZ3 . 11115 1 278 . 1 1 29 29 TRP C C 13 176.891 0.300 . 1 . . . . 29 TRP C . 11115 1 279 . 1 1 29 29 TRP CA C 13 56.831 0.300 . 1 . . . . 29 TRP CA . 11115 1 280 . 1 1 29 29 TRP CB C 13 30.054 0.300 . 1 . . . . 29 TRP CB . 11115 1 281 . 1 1 29 29 TRP CD1 C 13 128.620 0.300 . 1 . . . . 29 TRP CD1 . 11115 1 282 . 1 1 29 29 TRP CE3 C 13 119.183 0.300 . 1 . . . . 29 TRP CE3 . 11115 1 283 . 1 1 29 29 TRP CZ2 C 13 115.048 0.300 . 1 . . . . 29 TRP CZ2 . 11115 1 284 . 1 1 29 29 TRP CZ3 C 13 122.448 0.300 . 1 . . . . 29 TRP CZ3 . 11115 1 285 . 1 1 29 29 TRP N N 15 121.838 0.300 . 1 . . . . 29 TRP N . 11115 1 286 . 1 1 29 29 TRP NE1 N 15 129.941 0.300 . 1 . . . . 29 TRP NE1 . 11115 1 287 . 1 1 30 30 ARG H H 1 9.902 0.030 . 1 . . . . 30 ARG H . 11115 1 288 . 1 1 30 30 ARG HA H 1 4.627 0.030 . 1 . . . . 30 ARG HA . 11115 1 289 . 1 1 30 30 ARG HB2 H 1 2.093 0.030 . 2 . . . . 30 ARG HB2 . 11115 1 290 . 1 1 30 30 ARG HB3 H 1 1.822 0.030 . 2 . . . . 30 ARG HB3 . 11115 1 291 . 1 1 30 30 ARG HD2 H 1 3.676 0.030 . 2 . . . . 30 ARG HD2 . 11115 1 292 . 1 1 30 30 ARG HD3 H 1 3.156 0.030 . 2 . . . . 30 ARG HD3 . 11115 1 293 . 1 1 30 30 ARG HE H 1 8.614 0.030 . 1 . . . . 30 ARG HE . 11115 1 294 . 1 1 30 30 ARG HG2 H 1 2.247 0.030 . 2 . . . . 30 ARG HG2 . 11115 1 295 . 1 1 30 30 ARG HG3 H 1 2.156 0.030 . 2 . . . . 30 ARG HG3 . 11115 1 296 . 1 1 30 30 ARG C C 13 173.678 0.300 . 1 . . . . 30 ARG C . 11115 1 297 . 1 1 30 30 ARG CA C 13 52.747 0.300 . 1 . . . . 30 ARG CA . 11115 1 298 . 1 1 30 30 ARG CB C 13 32.746 0.300 . 1 . . . . 30 ARG CB . 11115 1 299 . 1 1 30 30 ARG CD C 13 44.552 0.300 . 1 . . . . 30 ARG CD . 11115 1 300 . 1 1 30 30 ARG CG C 13 26.095 0.300 . 1 . . . . 30 ARG CG . 11115 1 301 . 1 1 30 30 ARG N N 15 122.121 0.300 . 1 . . . . 30 ARG N . 11115 1 302 . 1 1 30 30 ARG NE N 15 86.549 0.300 . 1 . . . . 30 ARG NE . 11115 1 303 . 1 1 31 31 ARG H H 1 8.369 0.030 . 1 . . . . 31 ARG H . 11115 1 304 . 1 1 31 31 ARG HA H 1 3.453 0.030 . 1 . . . . 31 ARG HA . 11115 1 305 . 1 1 31 31 ARG HB2 H 1 1.062 0.030 . 2 . . . . 31 ARG HB2 . 11115 1 306 . 1 1 31 31 ARG HB3 H 1 0.264 0.030 . 2 . . . . 31 ARG HB3 . 11115 1 307 . 1 1 31 31 ARG HD2 H 1 2.768 0.030 . 2 . . . . 31 ARG HD2 . 11115 1 308 . 1 1 31 31 ARG HD3 H 1 2.560 0.030 . 2 . . . . 31 ARG HD3 . 11115 1 309 . 1 1 31 31 ARG HE H 1 7.602 0.030 . 1 . . . . 31 ARG HE . 11115 1 310 . 1 1 31 31 ARG HG2 H 1 0.646 0.030 . 2 . . . . 31 ARG HG2 . 11115 1 311 . 1 1 31 31 ARG HG3 H 1 0.373 0.030 . 2 . . . . 31 ARG HG3 . 11115 1 312 . 1 1 31 31 ARG C C 13 176.081 0.300 . 1 . . . . 31 ARG C . 11115 1 313 . 1 1 31 31 ARG CA C 13 56.023 0.300 . 1 . . . . 31 ARG CA . 11115 1 314 . 1 1 31 31 ARG CB C 13 30.422 0.300 . 1 . . . . 31 ARG CB . 11115 1 315 . 1 1 31 31 ARG CD C 13 43.432 0.300 . 1 . . . . 31 ARG CD . 11115 1 316 . 1 1 31 31 ARG CG C 13 26.186 0.300 . 1 . . . . 31 ARG CG . 11115 1 317 . 1 1 31 31 ARG N N 15 125.688 0.300 . 1 . . . . 31 ARG N . 11115 1 318 . 1 1 31 31 ARG NE N 15 84.002 0.300 . 1 . . . . 31 ARG NE . 11115 1 319 . 1 1 32 32 LEU H H 1 8.587 0.030 . 1 . . . . 32 LEU H . 11115 1 320 . 1 1 32 32 LEU HA H 1 4.520 0.030 . 1 . . . . 32 LEU HA . 11115 1 321 . 1 1 32 32 LEU HB2 H 1 1.400 0.030 . 2 . . . . 32 LEU HB2 . 11115 1 322 . 1 1 32 32 LEU HB3 H 1 1.347 0.030 . 2 . . . . 32 LEU HB3 . 11115 1 323 . 1 1 32 32 LEU HD11 H 1 0.564 0.030 . 1 . . . . 32 LEU HD1 . 11115 1 324 . 1 1 32 32 LEU HD12 H 1 0.564 0.030 . 1 . . . . 32 LEU HD1 . 11115 1 325 . 1 1 32 32 LEU HD13 H 1 0.564 0.030 . 1 . . . . 32 LEU HD1 . 11115 1 326 . 1 1 32 32 LEU HD21 H 1 0.610 0.030 . 1 . . . . 32 LEU HD2 . 11115 1 327 . 1 1 32 32 LEU HD22 H 1 0.610 0.030 . 1 . . . . 32 LEU HD2 . 11115 1 328 . 1 1 32 32 LEU HD23 H 1 0.610 0.030 . 1 . . . . 32 LEU HD2 . 11115 1 329 . 1 1 32 32 LEU HG H 1 1.388 0.030 . 1 . . . . 32 LEU HG . 11115 1 330 . 1 1 32 32 LEU C C 13 176.287 0.300 . 1 . . . . 32 LEU C . 11115 1 331 . 1 1 32 32 LEU CA C 13 53.782 0.300 . 1 . . . . 32 LEU CA . 11115 1 332 . 1 1 32 32 LEU CB C 13 42.701 0.300 . 1 . . . . 32 LEU CB . 11115 1 333 . 1 1 32 32 LEU CD1 C 13 25.198 0.300 . 2 . . . . 32 LEU CD1 . 11115 1 334 . 1 1 32 32 LEU CD2 C 13 23.498 0.300 . 2 . . . . 32 LEU CD2 . 11115 1 335 . 1 1 32 32 LEU CG C 13 26.951 0.300 . 1 . . . . 32 LEU CG . 11115 1 336 . 1 1 32 32 LEU N N 15 127.427 0.300 . 1 . . . . 32 LEU N . 11115 1 337 . 1 1 33 33 CYS H H 1 8.401 0.030 . 1 . . . . 33 CYS H . 11115 1 338 . 1 1 33 33 CYS HA H 1 4.505 0.030 . 1 . . . . 33 CYS HA . 11115 1 339 . 1 1 33 33 CYS HB2 H 1 2.865 0.030 . 1 . . . . 33 CYS HB2 . 11115 1 340 . 1 1 33 33 CYS HB3 H 1 2.865 0.030 . 1 . . . . 33 CYS HB3 . 11115 1 341 . 1 1 33 33 CYS C C 13 174.715 0.300 . 1 . . . . 33 CYS C . 11115 1 342 . 1 1 33 33 CYS CA C 13 58.306 0.300 . 1 . . . . 33 CYS CA . 11115 1 343 . 1 1 33 33 CYS CB C 13 28.754 0.300 . 1 . . . . 33 CYS CB . 11115 1 344 . 1 1 33 33 CYS N N 15 121.761 0.300 . 1 . . . . 33 CYS N . 11115 1 345 . 1 1 34 34 GLY H H 1 8.424 0.030 . 1 . . . . 34 GLY H . 11115 1 346 . 1 1 34 34 GLY HA2 H 1 3.998 0.030 . 2 . . . . 34 GLY HA2 . 11115 1 347 . 1 1 34 34 GLY HA3 H 1 3.859 0.030 . 2 . . . . 34 GLY HA3 . 11115 1 348 . 1 1 34 34 GLY C C 13 173.405 0.300 . 1 . . . . 34 GLY C . 11115 1 349 . 1 1 34 34 GLY CA C 13 45.385 0.300 . 1 . . . . 34 GLY CA . 11115 1 350 . 1 1 34 34 GLY N N 15 109.903 0.300 . 1 . . . . 34 GLY N . 11115 1 351 . 1 1 35 35 ASN H H 1 8.342 0.030 . 1 . . . . 35 ASN H . 11115 1 352 . 1 1 35 35 ASN HA H 1 4.663 0.030 . 1 . . . . 35 ASN HA . 11115 1 353 . 1 1 35 35 ASN HB2 H 1 2.779 0.030 . 1 . . . . 35 ASN HB2 . 11115 1 354 . 1 1 35 35 ASN HB3 H 1 2.779 0.030 . 1 . . . . 35 ASN HB3 . 11115 1 355 . 1 1 35 35 ASN HD21 H 1 7.538 0.030 . 2 . . . . 35 ASN HD21 . 11115 1 356 . 1 1 35 35 ASN HD22 H 1 6.796 0.030 . 2 . . . . 35 ASN HD22 . 11115 1 357 . 1 1 35 35 ASN C C 13 174.639 0.300 . 1 . . . . 35 ASN C . 11115 1 358 . 1 1 35 35 ASN CA C 13 53.048 0.300 . 1 . . . . 35 ASN CA . 11115 1 359 . 1 1 35 35 ASN CB C 13 37.694 0.300 . 1 . . . . 35 ASN CB . 11115 1 360 . 1 1 35 35 ASN N N 15 118.289 0.300 . 1 . . . . 35 ASN N . 11115 1 361 . 1 1 35 35 ASN ND2 N 15 112.136 0.300 . 1 . . . . 35 ASN ND2 . 11115 1 362 . 1 1 36 36 ILE H H 1 7.471 0.030 . 1 . . . . 36 ILE H . 11115 1 363 . 1 1 36 36 ILE HA H 1 4.097 0.030 . 1 . . . . 36 ILE HA . 11115 1 364 . 1 1 36 36 ILE HB H 1 1.746 0.030 . 1 . . . . 36 ILE HB . 11115 1 365 . 1 1 36 36 ILE HD11 H 1 0.776 0.030 . 1 . . . . 36 ILE HD1 . 11115 1 366 . 1 1 36 36 ILE HD12 H 1 0.776 0.030 . 1 . . . . 36 ILE HD1 . 11115 1 367 . 1 1 36 36 ILE HD13 H 1 0.776 0.030 . 1 . . . . 36 ILE HD1 . 11115 1 368 . 1 1 36 36 ILE HG12 H 1 1.307 0.030 . 2 . . . . 36 ILE HG12 . 11115 1 369 . 1 1 36 36 ILE HG13 H 1 1.102 0.030 . 2 . . . . 36 ILE HG13 . 11115 1 370 . 1 1 36 36 ILE HG21 H 1 0.711 0.030 . 1 . . . . 36 ILE HG2 . 11115 1 371 . 1 1 36 36 ILE HG22 H 1 0.711 0.030 . 1 . . . . 36 ILE HG2 . 11115 1 372 . 1 1 36 36 ILE HG23 H 1 0.711 0.030 . 1 . . . . 36 ILE HG2 . 11115 1 373 . 1 1 36 36 ILE C C 13 174.502 0.300 . 1 . . . . 36 ILE C . 11115 1 374 . 1 1 36 36 ILE CA C 13 59.759 0.300 . 1 . . . . 36 ILE CA . 11115 1 375 . 1 1 36 36 ILE CB C 13 39.373 0.300 . 1 . . . . 36 ILE CB . 11115 1 376 . 1 1 36 36 ILE CD1 C 13 12.745 0.300 . 1 . . . . 36 ILE CD1 . 11115 1 377 . 1 1 36 36 ILE CG1 C 13 27.284 0.300 . 1 . . . . 36 ILE CG1 . 11115 1 378 . 1 1 36 36 ILE CG2 C 13 17.525 0.300 . 1 . . . . 36 ILE CG2 . 11115 1 379 . 1 1 36 36 ILE N N 15 120.826 0.300 . 1 . . . . 36 ILE N . 11115 1 380 . 1 1 37 37 ASP H H 1 8.238 0.030 . 1 . . . . 37 ASP H . 11115 1 381 . 1 1 37 37 ASP HA H 1 4.844 0.030 . 1 . . . . 37 ASP HA . 11115 1 382 . 1 1 37 37 ASP HB2 H 1 2.839 0.030 . 2 . . . . 37 ASP HB2 . 11115 1 383 . 1 1 37 37 ASP HB3 H 1 2.570 0.030 . 2 . . . . 37 ASP HB3 . 11115 1 384 . 1 1 37 37 ASP CA C 13 50.542 0.300 . 1 . . . . 37 ASP CA . 11115 1 385 . 1 1 37 37 ASP CB C 13 41.909 0.300 . 1 . . . . 37 ASP CB . 11115 1 386 . 1 1 37 37 ASP N N 15 126.332 0.300 . 1 . . . . 37 ASP N . 11115 1 387 . 1 1 38 38 PRO HA H 1 4.032 0.030 . 1 . . . . 38 PRO HA . 11115 1 388 . 1 1 38 38 PRO HB2 H 1 2.063 0.030 . 2 . . . . 38 PRO HB2 . 11115 1 389 . 1 1 38 38 PRO HB3 H 1 1.992 0.030 . 2 . . . . 38 PRO HB3 . 11115 1 390 . 1 1 38 38 PRO HD2 H 1 3.986 0.030 . 2 . . . . 38 PRO HD2 . 11115 1 391 . 1 1 38 38 PRO HD3 H 1 3.883 0.030 . 2 . . . . 38 PRO HD3 . 11115 1 392 . 1 1 38 38 PRO HG2 H 1 2.050 0.030 . 2 . . . . 38 PRO HG2 . 11115 1 393 . 1 1 38 38 PRO HG3 H 1 1.838 0.030 . 2 . . . . 38 PRO HG3 . 11115 1 394 . 1 1 38 38 PRO C C 13 177.652 0.300 . 1 . . . . 38 PRO C . 11115 1 395 . 1 1 38 38 PRO CA C 13 64.084 0.300 . 1 . . . . 38 PRO CA . 11115 1 396 . 1 1 38 38 PRO CB C 13 31.985 0.300 . 1 . . . . 38 PRO CB . 11115 1 397 . 1 1 38 38 PRO CD C 13 50.775 0.300 . 1 . . . . 38 PRO CD . 11115 1 398 . 1 1 38 38 PRO CG C 13 27.360 0.300 . 1 . . . . 38 PRO CG . 11115 1 399 . 1 1 39 39 SER H H 1 8.485 0.030 . 1 . . . . 39 SER H . 11115 1 400 . 1 1 39 39 SER HA H 1 4.248 0.030 . 1 . . . . 39 SER HA . 11115 1 401 . 1 1 39 39 SER HB2 H 1 3.938 0.030 . 2 . . . . 39 SER HB2 . 11115 1 402 . 1 1 39 39 SER HB3 H 1 3.901 0.030 . 2 . . . . 39 SER HB3 . 11115 1 403 . 1 1 39 39 SER C C 13 177.666 0.300 . 1 . . . . 39 SER C . 11115 1 404 . 1 1 39 39 SER CA C 13 60.889 0.300 . 1 . . . . 39 SER CA . 11115 1 405 . 1 1 39 39 SER CB C 13 63.322 0.300 . 1 . . . . 39 SER CB . 11115 1 406 . 1 1 39 39 SER N N 15 113.797 0.300 . 1 . . . . 39 SER N . 11115 1 407 . 1 1 40 40 VAL H H 1 7.466 0.030 . 1 . . . . 40 VAL H . 11115 1 408 . 1 1 40 40 VAL HA H 1 4.418 0.030 . 1 . . . . 40 VAL HA . 11115 1 409 . 1 1 40 40 VAL HB H 1 2.380 0.030 . 1 . . . . 40 VAL HB . 11115 1 410 . 1 1 40 40 VAL HG11 H 1 0.902 0.030 . 1 . . . . 40 VAL HG1 . 11115 1 411 . 1 1 40 40 VAL HG12 H 1 0.902 0.030 . 1 . . . . 40 VAL HG1 . 11115 1 412 . 1 1 40 40 VAL HG13 H 1 0.902 0.030 . 1 . . . . 40 VAL HG1 . 11115 1 413 . 1 1 40 40 VAL HG21 H 1 0.975 0.030 . 1 . . . . 40 VAL HG2 . 11115 1 414 . 1 1 40 40 VAL HG22 H 1 0.975 0.030 . 1 . . . . 40 VAL HG2 . 11115 1 415 . 1 1 40 40 VAL HG23 H 1 0.975 0.030 . 1 . . . . 40 VAL HG2 . 11115 1 416 . 1 1 40 40 VAL C C 13 176.227 0.300 . 1 . . . . 40 VAL C . 11115 1 417 . 1 1 40 40 VAL CA C 13 61.031 0.300 . 1 . . . . 40 VAL CA . 11115 1 418 . 1 1 40 40 VAL CB C 13 31.572 0.300 . 1 . . . . 40 VAL CB . 11115 1 419 . 1 1 40 40 VAL CG1 C 13 21.120 0.300 . 2 . . . . 40 VAL CG1 . 11115 1 420 . 1 1 40 40 VAL CG2 C 13 19.164 0.300 . 2 . . . . 40 VAL CG2 . 11115 1 421 . 1 1 40 40 VAL N N 15 114.868 0.300 . 1 . . . . 40 VAL N . 11115 1 422 . 1 1 41 41 LEU H H 1 7.246 0.030 . 1 . . . . 41 LEU H . 11115 1 423 . 1 1 41 41 LEU HA H 1 4.509 0.030 . 1 . . . . 41 LEU HA . 11115 1 424 . 1 1 41 41 LEU HB2 H 1 1.688 0.030 . 2 . . . . 41 LEU HB2 . 11115 1 425 . 1 1 41 41 LEU HB3 H 1 1.259 0.030 . 2 . . . . 41 LEU HB3 . 11115 1 426 . 1 1 41 41 LEU HD11 H 1 0.766 0.030 . 1 . . . . 41 LEU HD1 . 11115 1 427 . 1 1 41 41 LEU HD12 H 1 0.766 0.030 . 1 . . . . 41 LEU HD1 . 11115 1 428 . 1 1 41 41 LEU HD13 H 1 0.766 0.030 . 1 . . . . 41 LEU HD1 . 11115 1 429 . 1 1 41 41 LEU HD21 H 1 0.568 0.030 . 1 . . . . 41 LEU HD2 . 11115 1 430 . 1 1 41 41 LEU HD22 H 1 0.568 0.030 . 1 . . . . 41 LEU HD2 . 11115 1 431 . 1 1 41 41 LEU HD23 H 1 0.568 0.030 . 1 . . . . 41 LEU HD2 . 11115 1 432 . 1 1 41 41 LEU HG H 1 1.635 0.030 . 1 . . . . 41 LEU HG . 11115 1 433 . 1 1 41 41 LEU C C 13 174.966 0.300 . 1 . . . . 41 LEU C . 11115 1 434 . 1 1 41 41 LEU CA C 13 53.094 0.300 . 1 . . . . 41 LEU CA . 11115 1 435 . 1 1 41 41 LEU CB C 13 41.358 0.300 . 1 . . . . 41 LEU CB . 11115 1 436 . 1 1 41 41 LEU CD1 C 13 22.777 0.300 . 2 . . . . 41 LEU CD1 . 11115 1 437 . 1 1 41 41 LEU CD2 C 13 25.769 0.300 . 2 . . . . 41 LEU CD2 . 11115 1 438 . 1 1 41 41 LEU CG C 13 26.867 0.300 . 1 . . . . 41 LEU CG . 11115 1 439 . 1 1 41 41 LEU N N 15 123.820 0.300 . 1 . . . . 41 LEU N . 11115 1 440 . 1 1 42 42 PRO HA H 1 4.567 0.030 . 1 . . . . 42 PRO HA . 11115 1 441 . 1 1 42 42 PRO HB2 H 1 2.413 0.030 . 2 . . . . 42 PRO HB2 . 11115 1 442 . 1 1 42 42 PRO HB3 H 1 2.148 0.030 . 2 . . . . 42 PRO HB3 . 11115 1 443 . 1 1 42 42 PRO HD2 H 1 4.032 0.030 . 2 . . . . 42 PRO HD2 . 11115 1 444 . 1 1 42 42 PRO HD3 H 1 3.764 0.030 . 2 . . . . 42 PRO HD3 . 11115 1 445 . 1 1 42 42 PRO HG2 H 1 2.267 0.030 . 2 . . . . 42 PRO HG2 . 11115 1 446 . 1 1 42 42 PRO HG3 H 1 2.102 0.030 . 2 . . . . 42 PRO HG3 . 11115 1 447 . 1 1 42 42 PRO C C 13 176.962 0.300 . 1 . . . . 42 PRO C . 11115 1 448 . 1 1 42 42 PRO CA C 13 62.463 0.300 . 1 . . . . 42 PRO CA . 11115 1 449 . 1 1 42 42 PRO CB C 13 32.563 0.300 . 1 . . . . 42 PRO CB . 11115 1 450 . 1 1 42 42 PRO CD C 13 50.717 0.300 . 1 . . . . 42 PRO CD . 11115 1 451 . 1 1 42 42 PRO CG C 13 27.530 0.300 . 1 . . . . 42 PRO CG . 11115 1 452 . 1 1 43 43 ASP H H 1 8.719 0.030 . 1 . . . . 43 ASP H . 11115 1 453 . 1 1 43 43 ASP HA H 1 4.360 0.030 . 1 . . . . 43 ASP HA . 11115 1 454 . 1 1 43 43 ASP HB2 H 1 2.655 0.030 . 1 . . . . 43 ASP HB2 . 11115 1 455 . 1 1 43 43 ASP HB3 H 1 2.655 0.030 . 1 . . . . 43 ASP HB3 . 11115 1 456 . 1 1 43 43 ASP C C 13 176.219 0.300 . 1 . . . . 43 ASP C . 11115 1 457 . 1 1 43 43 ASP CA C 13 56.367 0.300 . 1 . . . . 43 ASP CA . 11115 1 458 . 1 1 43 43 ASP CB C 13 40.740 0.300 . 1 . . . . 43 ASP CB . 11115 1 459 . 1 1 43 43 ASP N N 15 120.533 0.300 . 1 . . . . 43 ASP N . 11115 1 460 . 1 1 44 44 ASN H H 1 8.158 0.030 . 1 . . . . 44 ASN H . 11115 1 461 . 1 1 44 44 ASN HA H 1 4.788 0.030 . 1 . . . . 44 ASN HA . 11115 1 462 . 1 1 44 44 ASN HB2 H 1 2.881 0.030 . 2 . . . . 44 ASN HB2 . 11115 1 463 . 1 1 44 44 ASN HB3 H 1 2.666 0.030 . 2 . . . . 44 ASN HB3 . 11115 1 464 . 1 1 44 44 ASN HD21 H 1 7.529 0.030 . 2 . . . . 44 ASN HD21 . 11115 1 465 . 1 1 44 44 ASN HD22 H 1 6.760 0.030 . 2 . . . . 44 ASN HD22 . 11115 1 466 . 1 1 44 44 ASN C C 13 174.639 0.300 . 1 . . . . 44 ASN C . 11115 1 467 . 1 1 44 44 ASN CA C 13 52.285 0.300 . 1 . . . . 44 ASN CA . 11115 1 468 . 1 1 44 44 ASN CB C 13 37.209 0.300 . 1 . . . . 44 ASN CB . 11115 1 469 . 1 1 44 44 ASN N N 15 116.106 0.300 . 1 . . . . 44 ASN N . 11115 1 470 . 1 1 44 44 ASN ND2 N 15 111.774 0.300 . 1 . . . . 44 ASN ND2 . 11115 1 471 . 1 1 45 45 TRP H H 1 7.547 0.030 . 1 . . . . 45 TRP H . 11115 1 472 . 1 1 45 45 TRP HA H 1 3.818 0.030 . 1 . . . . 45 TRP HA . 11115 1 473 . 1 1 45 45 TRP HB2 H 1 3.116 0.030 . 2 . . . . 45 TRP HB2 . 11115 1 474 . 1 1 45 45 TRP HB3 H 1 3.059 0.030 . 2 . . . . 45 TRP HB3 . 11115 1 475 . 1 1 45 45 TRP HD1 H 1 7.085 0.030 . 1 . . . . 45 TRP HD1 . 11115 1 476 . 1 1 45 45 TRP HE1 H 1 10.253 0.030 . 1 . . . . 45 TRP HE1 . 11115 1 477 . 1 1 45 45 TRP HE3 H 1 7.041 0.030 . 1 . . . . 45 TRP HE3 . 11115 1 478 . 1 1 45 45 TRP HH2 H 1 6.780 0.030 . 1 . . . . 45 TRP HH2 . 11115 1 479 . 1 1 45 45 TRP HZ2 H 1 6.841 0.030 . 1 . . . . 45 TRP HZ2 . 11115 1 480 . 1 1 45 45 TRP HZ3 H 1 6.618 0.030 . 1 . . . . 45 TRP HZ3 . 11115 1 481 . 1 1 45 45 TRP C C 13 174.906 0.300 . 1 . . . . 45 TRP C . 11115 1 482 . 1 1 45 45 TRP CA C 13 61.794 0.300 . 1 . . . . 45 TRP CA . 11115 1 483 . 1 1 45 45 TRP CB C 13 29.552 0.300 . 1 . . . . 45 TRP CB . 11115 1 484 . 1 1 45 45 TRP CD1 C 13 126.037 0.300 . 1 . . . . 45 TRP CD1 . 11115 1 485 . 1 1 45 45 TRP CE3 C 13 121.104 0.300 . 1 . . . . 45 TRP CE3 . 11115 1 486 . 1 1 45 45 TRP CH2 C 13 122.998 0.300 . 1 . . . . 45 TRP CH2 . 11115 1 487 . 1 1 45 45 TRP CZ2 C 13 113.208 0.300 . 1 . . . . 45 TRP CZ2 . 11115 1 488 . 1 1 45 45 TRP CZ3 C 13 120.673 0.300 . 1 . . . . 45 TRP CZ3 . 11115 1 489 . 1 1 45 45 TRP N N 15 120.252 0.300 . 1 . . . . 45 TRP N . 11115 1 490 . 1 1 45 45 TRP NE1 N 15 129.034 0.300 . 1 . . . . 45 TRP NE1 . 11115 1 491 . 1 1 46 46 SER H H 1 5.997 0.030 . 1 . . . . 46 SER H . 11115 1 492 . 1 1 46 46 SER HA H 1 5.453 0.030 . 1 . . . . 46 SER HA . 11115 1 493 . 1 1 46 46 SER HB2 H 1 3.544 0.030 . 2 . . . . 46 SER HB2 . 11115 1 494 . 1 1 46 46 SER HB3 H 1 2.998 0.030 . 2 . . . . 46 SER HB3 . 11115 1 495 . 1 1 46 46 SER C C 13 173.777 0.300 . 1 . . . . 46 SER C . 11115 1 496 . 1 1 46 46 SER CA C 13 56.319 0.300 . 1 . . . . 46 SER CA . 11115 1 497 . 1 1 46 46 SER CB C 13 66.785 0.300 . 1 . . . . 46 SER CB . 11115 1 498 . 1 1 46 46 SER N N 15 121.537 0.300 . 1 . . . . 46 SER N . 11115 1 499 . 1 1 47 47 CYS H H 1 8.573 0.030 . 1 . . . . 47 CYS H . 11115 1 500 . 1 1 47 47 CYS HA H 1 3.386 0.030 . 1 . . . . 47 CYS HA . 11115 1 501 . 1 1 47 47 CYS HB2 H 1 2.986 0.030 . 2 . . . . 47 CYS HB2 . 11115 1 502 . 1 1 47 47 CYS HB3 H 1 2.670 0.030 . 2 . . . . 47 CYS HB3 . 11115 1 503 . 1 1 47 47 CYS C C 13 176.225 0.300 . 1 . . . . 47 CYS C . 11115 1 504 . 1 1 47 47 CYS CA C 13 66.403 0.300 . 1 . . . . 47 CYS CA . 11115 1 505 . 1 1 47 47 CYS CB C 13 30.397 0.300 . 1 . . . . 47 CYS CB . 11115 1 506 . 1 1 47 47 CYS N N 15 119.597 0.300 . 1 . . . . 47 CYS N . 11115 1 507 . 1 1 48 48 ASP H H 1 8.035 0.030 . 1 . . . . 48 ASP H . 11115 1 508 . 1 1 48 48 ASP HA H 1 4.571 0.030 . 1 . . . . 48 ASP HA . 11115 1 509 . 1 1 48 48 ASP HB2 H 1 2.646 0.030 . 2 . . . . 48 ASP HB2 . 11115 1 510 . 1 1 48 48 ASP HB3 H 1 2.571 0.030 . 2 . . . . 48 ASP HB3 . 11115 1 511 . 1 1 48 48 ASP C C 13 177.073 0.300 . 1 . . . . 48 ASP C . 11115 1 512 . 1 1 48 48 ASP CA C 13 54.650 0.300 . 1 . . . . 48 ASP CA . 11115 1 513 . 1 1 48 48 ASP CB C 13 39.665 0.300 . 1 . . . . 48 ASP CB . 11115 1 514 . 1 1 48 48 ASP N N 15 111.422 0.300 . 1 . . . . 48 ASP N . 11115 1 515 . 1 1 49 49 GLN H H 1 7.809 0.030 . 1 . . . . 49 GLN H . 11115 1 516 . 1 1 49 49 GLN HA H 1 4.109 0.030 . 1 . . . . 49 GLN HA . 11115 1 517 . 1 1 49 49 GLN HB2 H 1 2.093 0.030 . 2 . . . . 49 GLN HB2 . 11115 1 518 . 1 1 49 49 GLN HB3 H 1 0.978 0.030 . 2 . . . . 49 GLN HB3 . 11115 1 519 . 1 1 49 49 GLN HE21 H 1 7.319 0.030 . 2 . . . . 49 GLN HE21 . 11115 1 520 . 1 1 49 49 GLN HE22 H 1 6.325 0.030 . 2 . . . . 49 GLN HE22 . 11115 1 521 . 1 1 49 49 GLN HG2 H 1 1.969 0.030 . 1 . . . . 49 GLN HG2 . 11115 1 522 . 1 1 49 49 GLN HG3 H 1 1.969 0.030 . 1 . . . . 49 GLN HG3 . 11115 1 523 . 1 1 49 49 GLN C C 13 177.084 0.300 . 1 . . . . 49 GLN C . 11115 1 524 . 1 1 49 49 GLN CA C 13 55.226 0.300 . 1 . . . . 49 GLN CA . 11115 1 525 . 1 1 49 49 GLN CB C 13 28.895 0.300 . 1 . . . . 49 GLN CB . 11115 1 526 . 1 1 49 49 GLN CG C 13 34.457 0.300 . 1 . . . . 49 GLN CG . 11115 1 527 . 1 1 49 49 GLN N N 15 117.408 0.300 . 1 . . . . 49 GLN N . 11115 1 528 . 1 1 49 49 GLN NE2 N 15 112.714 0.300 . 1 . . . . 49 GLN NE2 . 11115 1 529 . 1 1 50 50 ASN H H 1 8.016 0.030 . 1 . . . . 50 ASN H . 11115 1 530 . 1 1 50 50 ASN HA H 1 4.764 0.030 . 1 . . . . 50 ASN HA . 11115 1 531 . 1 1 50 50 ASN HB2 H 1 2.958 0.030 . 2 . . . . 50 ASN HB2 . 11115 1 532 . 1 1 50 50 ASN HB3 H 1 3.419 0.030 . 2 . . . . 50 ASN HB3 . 11115 1 533 . 1 1 50 50 ASN HD21 H 1 8.295 0.030 . 2 . . . . 50 ASN HD21 . 11115 1 534 . 1 1 50 50 ASN HD22 H 1 7.670 0.030 . 2 . . . . 50 ASN HD22 . 11115 1 535 . 1 1 50 50 ASN C C 13 176.183 0.300 . 1 . . . . 50 ASN C . 11115 1 536 . 1 1 50 50 ASN CA C 13 53.700 0.300 . 1 . . . . 50 ASN CA . 11115 1 537 . 1 1 50 50 ASN CB C 13 38.791 0.300 . 1 . . . . 50 ASN CB . 11115 1 538 . 1 1 50 50 ASN N N 15 121.575 0.300 . 1 . . . . 50 ASN N . 11115 1 539 . 1 1 50 50 ASN ND2 N 15 111.557 0.300 . 1 . . . . 50 ASN ND2 . 11115 1 540 . 1 1 51 51 THR H H 1 8.391 0.030 . 1 . . . . 51 THR H . 11115 1 541 . 1 1 51 51 THR HA H 1 4.172 0.030 . 1 . . . . 51 THR HA . 11115 1 542 . 1 1 51 51 THR HB H 1 4.447 0.030 . 1 . . . . 51 THR HB . 11115 1 543 . 1 1 51 51 THR HG21 H 1 1.376 0.030 . 1 . . . . 51 THR HG2 . 11115 1 544 . 1 1 51 51 THR HG22 H 1 1.376 0.030 . 1 . . . . 51 THR HG2 . 11115 1 545 . 1 1 51 51 THR HG23 H 1 1.376 0.030 . 1 . . . . 51 THR HG2 . 11115 1 546 . 1 1 51 51 THR C C 13 175.055 0.300 . 1 . . . . 51 THR C . 11115 1 547 . 1 1 51 51 THR CA C 13 62.902 0.300 . 1 . . . . 51 THR CA . 11115 1 548 . 1 1 51 51 THR CB C 13 68.682 0.300 . 1 . . . . 51 THR CB . 11115 1 549 . 1 1 51 51 THR CG2 C 13 22.328 0.300 . 1 . . . . 51 THR CG2 . 11115 1 550 . 1 1 51 51 THR N N 15 117.169 0.300 . 1 . . . . 51 THR N . 11115 1 551 . 1 1 52 52 ASP H H 1 7.377 0.030 . 1 . . . . 52 ASP H . 11115 1 552 . 1 1 52 52 ASP HA H 1 4.655 0.030 . 1 . . . . 52 ASP HA . 11115 1 553 . 1 1 52 52 ASP HB2 H 1 2.735 0.030 . 2 . . . . 52 ASP HB2 . 11115 1 554 . 1 1 52 52 ASP HB3 H 1 3.075 0.030 . 2 . . . . 52 ASP HB3 . 11115 1 555 . 1 1 52 52 ASP C C 13 176.953 0.300 . 1 . . . . 52 ASP C . 11115 1 556 . 1 1 52 52 ASP CA C 13 52.834 0.300 . 1 . . . . 52 ASP CA . 11115 1 557 . 1 1 52 52 ASP CB C 13 40.913 0.300 . 1 . . . . 52 ASP CB . 11115 1 558 . 1 1 52 52 ASP N N 15 121.806 0.300 . 1 . . . . 52 ASP N . 11115 1 559 . 1 1 53 53 VAL H H 1 7.920 0.030 . 1 . . . . 53 VAL H . 11115 1 560 . 1 1 53 53 VAL HA H 1 3.876 0.030 . 1 . . . . 53 VAL HA . 11115 1 561 . 1 1 53 53 VAL HB H 1 2.313 0.030 . 1 . . . . 53 VAL HB . 11115 1 562 . 1 1 53 53 VAL HG11 H 1 1.017 0.030 . 1 . . . . 53 VAL HG1 . 11115 1 563 . 1 1 53 53 VAL HG12 H 1 1.017 0.030 . 1 . . . . 53 VAL HG1 . 11115 1 564 . 1 1 53 53 VAL HG13 H 1 1.017 0.030 . 1 . . . . 53 VAL HG1 . 11115 1 565 . 1 1 53 53 VAL HG21 H 1 0.947 0.030 . 1 . . . . 53 VAL HG2 . 11115 1 566 . 1 1 53 53 VAL HG22 H 1 0.947 0.030 . 1 . . . . 53 VAL HG2 . 11115 1 567 . 1 1 53 53 VAL HG23 H 1 0.947 0.030 . 1 . . . . 53 VAL HG2 . 11115 1 568 . 1 1 53 53 VAL C C 13 175.893 0.300 . 1 . . . . 53 VAL C . 11115 1 569 . 1 1 53 53 VAL CA C 13 63.098 0.300 . 1 . . . . 53 VAL CA . 11115 1 570 . 1 1 53 53 VAL CB C 13 30.938 0.300 . 1 . . . . 53 VAL CB . 11115 1 571 . 1 1 53 53 VAL CG1 C 13 21.128 0.300 . 2 . . . . 53 VAL CG1 . 11115 1 572 . 1 1 53 53 VAL CG2 C 13 18.911 0.300 . 2 . . . . 53 VAL CG2 . 11115 1 573 . 1 1 53 53 VAL N N 15 121.464 0.300 . 1 . . . . 53 VAL N . 11115 1 574 . 1 1 54 54 GLN H H 1 8.085 0.030 . 1 . . . . 54 GLN H . 11115 1 575 . 1 1 54 54 GLN HA H 1 3.953 0.030 . 1 . . . . 54 GLN HA . 11115 1 576 . 1 1 54 54 GLN HB2 H 1 1.593 0.030 . 2 . . . . 54 GLN HB2 . 11115 1 577 . 1 1 54 54 GLN HB3 H 1 1.955 0.030 . 2 . . . . 54 GLN HB3 . 11115 1 578 . 1 1 54 54 GLN HE21 H 1 7.647 0.030 . 2 . . . . 54 GLN HE21 . 11115 1 579 . 1 1 54 54 GLN HE22 H 1 6.799 0.030 . 2 . . . . 54 GLN HE22 . 11115 1 580 . 1 1 54 54 GLN HG2 H 1 2.269 0.030 . 2 . . . . 54 GLN HG2 . 11115 1 581 . 1 1 54 54 GLN HG3 H 1 1.992 0.030 . 2 . . . . 54 GLN HG3 . 11115 1 582 . 1 1 54 54 GLN C C 13 175.957 0.300 . 1 . . . . 54 GLN C . 11115 1 583 . 1 1 54 54 GLN CA C 13 56.847 0.300 . 1 . . . . 54 GLN CA . 11115 1 584 . 1 1 54 54 GLN CB C 13 29.885 0.300 . 1 . . . . 54 GLN CB . 11115 1 585 . 1 1 54 54 GLN CG C 13 34.834 0.300 . 1 . . . . 54 GLN CG . 11115 1 586 . 1 1 54 54 GLN N N 15 116.907 0.300 . 1 . . . . 54 GLN N . 11115 1 587 . 1 1 54 54 GLN NE2 N 15 111.933 0.300 . 1 . . . . 54 GLN NE2 . 11115 1 588 . 1 1 55 55 TYR H H 1 7.329 0.030 . 1 . . . . 55 TYR H . 11115 1 589 . 1 1 55 55 TYR HA H 1 4.805 0.030 . 1 . . . . 55 TYR HA . 11115 1 590 . 1 1 55 55 TYR HB2 H 1 3.439 0.030 . 2 . . . . 55 TYR HB2 . 11115 1 591 . 1 1 55 55 TYR HB3 H 1 2.393 0.030 . 2 . . . . 55 TYR HB3 . 11115 1 592 . 1 1 55 55 TYR HD1 H 1 7.205 0.030 . 1 . . . . 55 TYR HD1 . 11115 1 593 . 1 1 55 55 TYR HD2 H 1 7.205 0.030 . 1 . . . . 55 TYR HD2 . 11115 1 594 . 1 1 55 55 TYR HE1 H 1 6.838 0.030 . 1 . . . . 55 TYR HE1 . 11115 1 595 . 1 1 55 55 TYR HE2 H 1 6.838 0.030 . 1 . . . . 55 TYR HE2 . 11115 1 596 . 1 1 55 55 TYR C C 13 175.703 0.300 . 1 . . . . 55 TYR C . 11115 1 597 . 1 1 55 55 TYR CA C 13 56.720 0.300 . 1 . . . . 55 TYR CA . 11115 1 598 . 1 1 55 55 TYR CB C 13 40.323 0.300 . 1 . . . . 55 TYR CB . 11115 1 599 . 1 1 55 55 TYR CD1 C 13 134.019 0.300 . 1 . . . . 55 TYR CD1 . 11115 1 600 . 1 1 55 55 TYR CD2 C 13 134.019 0.300 . 1 . . . . 55 TYR CD2 . 11115 1 601 . 1 1 55 55 TYR CE1 C 13 118.005 0.300 . 1 . . . . 55 TYR CE1 . 11115 1 602 . 1 1 55 55 TYR CE2 C 13 118.005 0.300 . 1 . . . . 55 TYR CE2 . 11115 1 603 . 1 1 55 55 TYR N N 15 113.957 0.300 . 1 . . . . 55 TYR N . 11115 1 604 . 1 1 56 56 ASN H H 1 7.132 0.030 . 1 . . . . 56 ASN H . 11115 1 605 . 1 1 56 56 ASN HA H 1 5.317 0.030 . 1 . . . . 56 ASN HA . 11115 1 606 . 1 1 56 56 ASN HB2 H 1 2.643 0.030 . 2 . . . . 56 ASN HB2 . 11115 1 607 . 1 1 56 56 ASN HB3 H 1 3.159 0.030 . 2 . . . . 56 ASN HB3 . 11115 1 608 . 1 1 56 56 ASN HD21 H 1 7.594 0.030 . 2 . . . . 56 ASN HD21 . 11115 1 609 . 1 1 56 56 ASN HD22 H 1 6.519 0.030 . 2 . . . . 56 ASN HD22 . 11115 1 610 . 1 1 56 56 ASN C C 13 174.239 0.300 . 1 . . . . 56 ASN C . 11115 1 611 . 1 1 56 56 ASN CA C 13 52.381 0.300 . 1 . . . . 56 ASN CA . 11115 1 612 . 1 1 56 56 ASN CB C 13 38.060 0.300 . 1 . . . . 56 ASN CB . 11115 1 613 . 1 1 56 56 ASN N N 15 118.696 0.300 . 1 . . . . 56 ASN N . 11115 1 614 . 1 1 56 56 ASN ND2 N 15 107.124 0.300 . 1 . . . . 56 ASN ND2 . 11115 1 615 . 1 1 57 57 ARG H H 1 6.853 0.030 . 1 . . . . 57 ARG H . 11115 1 616 . 1 1 57 57 ARG HA H 1 4.664 0.030 . 1 . . . . 57 ARG HA . 11115 1 617 . 1 1 57 57 ARG HB2 H 1 1.627 0.030 . 2 . . . . 57 ARG HB2 . 11115 1 618 . 1 1 57 57 ARG HB3 H 1 1.955 0.030 . 2 . . . . 57 ARG HB3 . 11115 1 619 . 1 1 57 57 ARG HD2 H 1 3.280 0.030 . 2 . . . . 57 ARG HD2 . 11115 1 620 . 1 1 57 57 ARG HD3 H 1 3.184 0.030 . 2 . . . . 57 ARG HD3 . 11115 1 621 . 1 1 57 57 ARG HE H 1 8.369 0.030 . 1 . . . . 57 ARG HE . 11115 1 622 . 1 1 57 57 ARG HG2 H 1 1.578 0.030 . 1 . . . . 57 ARG HG2 . 11115 1 623 . 1 1 57 57 ARG HG3 H 1 1.578 0.030 . 1 . . . . 57 ARG HG3 . 11115 1 624 . 1 1 57 57 ARG C C 13 177.299 0.300 . 1 . . . . 57 ARG C . 11115 1 625 . 1 1 57 57 ARG CA C 13 54.559 0.300 . 1 . . . . 57 ARG CA . 11115 1 626 . 1 1 57 57 ARG CB C 13 36.527 0.300 . 1 . . . . 57 ARG CB . 11115 1 627 . 1 1 57 57 ARG CD C 13 43.548 0.300 . 1 . . . . 57 ARG CD . 11115 1 628 . 1 1 57 57 ARG CG C 13 27.340 0.300 . 1 . . . . 57 ARG CG . 11115 1 629 . 1 1 57 57 ARG N N 15 112.729 0.300 . 1 . . . . 57 ARG N . 11115 1 630 . 1 1 57 57 ARG NE N 15 85.117 0.300 . 1 . . . . 57 ARG NE . 11115 1 631 . 1 1 58 58 CYS H H 1 8.507 0.030 . 1 . . . . 58 CYS H . 11115 1 632 . 1 1 58 58 CYS HA H 1 4.934 0.030 . 1 . . . . 58 CYS HA . 11115 1 633 . 1 1 58 58 CYS HB2 H 1 2.533 0.030 . 2 . . . . 58 CYS HB2 . 11115 1 634 . 1 1 58 58 CYS HB3 H 1 3.334 0.030 . 2 . . . . 58 CYS HB3 . 11115 1 635 . 1 1 58 58 CYS C C 13 175.355 0.300 . 1 . . . . 58 CYS C . 11115 1 636 . 1 1 58 58 CYS CA C 13 62.617 0.300 . 1 . . . . 58 CYS CA . 11115 1 637 . 1 1 58 58 CYS CB C 13 30.463 0.300 . 1 . . . . 58 CYS CB . 11115 1 638 . 1 1 58 58 CYS N N 15 122.677 0.300 . 1 . . . . 58 CYS N . 11115 1 639 . 1 1 59 59 ASP H H 1 7.740 0.030 . 1 . . . . 59 ASP H . 11115 1 640 . 1 1 59 59 ASP HA H 1 4.451 0.030 . 1 . . . . 59 ASP HA . 11115 1 641 . 1 1 59 59 ASP HB2 H 1 2.528 0.030 . 2 . . . . 59 ASP HB2 . 11115 1 642 . 1 1 59 59 ASP HB3 H 1 2.787 0.030 . 2 . . . . 59 ASP HB3 . 11115 1 643 . 1 1 59 59 ASP C C 13 176.828 0.300 . 1 . . . . 59 ASP C . 11115 1 644 . 1 1 59 59 ASP CA C 13 53.815 0.300 . 1 . . . . 59 ASP CA . 11115 1 645 . 1 1 59 59 ASP CB C 13 40.015 0.300 . 1 . . . . 59 ASP CB . 11115 1 646 . 1 1 59 59 ASP N N 15 110.872 0.300 . 1 . . . . 59 ASP N . 11115 1 647 . 1 1 60 60 ILE H H 1 7.304 0.030 . 1 . . . . 60 ILE H . 11115 1 648 . 1 1 60 60 ILE HA H 1 4.348 0.030 . 1 . . . . 60 ILE HA . 11115 1 649 . 1 1 60 60 ILE HB H 1 1.919 0.030 . 1 . . . . 60 ILE HB . 11115 1 650 . 1 1 60 60 ILE HD11 H 1 0.869 0.030 . 1 . . . . 60 ILE HD1 . 11115 1 651 . 1 1 60 60 ILE HD12 H 1 0.869 0.030 . 1 . . . . 60 ILE HD1 . 11115 1 652 . 1 1 60 60 ILE HD13 H 1 0.869 0.030 . 1 . . . . 60 ILE HD1 . 11115 1 653 . 1 1 60 60 ILE HG12 H 1 1.650 0.030 . 2 . . . . 60 ILE HG12 . 11115 1 654 . 1 1 60 60 ILE HG13 H 1 1.097 0.030 . 2 . . . . 60 ILE HG13 . 11115 1 655 . 1 1 60 60 ILE HG21 H 1 1.357 0.030 . 1 . . . . 60 ILE HG2 . 11115 1 656 . 1 1 60 60 ILE HG22 H 1 1.357 0.030 . 1 . . . . 60 ILE HG2 . 11115 1 657 . 1 1 60 60 ILE HG23 H 1 1.357 0.030 . 1 . . . . 60 ILE HG2 . 11115 1 658 . 1 1 60 60 ILE C C 13 175.305 0.300 . 1 . . . . 60 ILE C . 11115 1 659 . 1 1 60 60 ILE CA C 13 59.690 0.300 . 1 . . . . 60 ILE CA . 11115 1 660 . 1 1 60 60 ILE CB C 13 39.452 0.300 . 1 . . . . 60 ILE CB . 11115 1 661 . 1 1 60 60 ILE CD1 C 13 13.872 0.300 . 1 . . . . 60 ILE CD1 . 11115 1 662 . 1 1 60 60 ILE CG1 C 13 28.770 0.300 . 1 . . . . 60 ILE CG1 . 11115 1 663 . 1 1 60 60 ILE CG2 C 13 17.112 0.300 . 1 . . . . 60 ILE CG2 . 11115 1 664 . 1 1 60 60 ILE N N 15 124.148 0.300 . 1 . . . . 60 ILE N . 11115 1 665 . 1 1 61 61 PRO HA H 1 4.315 0.030 . 1 . . . . 61 PRO HA . 11115 1 666 . 1 1 61 61 PRO HB2 H 1 1.987 0.030 . 2 . . . . 61 PRO HB2 . 11115 1 667 . 1 1 61 61 PRO HB3 H 1 2.453 0.030 . 2 . . . . 61 PRO HB3 . 11115 1 668 . 1 1 61 61 PRO HD2 H 1 4.193 0.030 . 2 . . . . 61 PRO HD2 . 11115 1 669 . 1 1 61 61 PRO HD3 H 1 3.749 0.030 . 2 . . . . 61 PRO HD3 . 11115 1 670 . 1 1 61 61 PRO HG2 H 1 2.174 0.030 . 2 . . . . 61 PRO HG2 . 11115 1 671 . 1 1 61 61 PRO HG3 H 1 2.049 0.030 . 2 . . . . 61 PRO HG3 . 11115 1 672 . 1 1 61 61 PRO C C 13 176.531 0.300 . 1 . . . . 61 PRO C . 11115 1 673 . 1 1 61 61 PRO CA C 13 63.551 0.300 . 1 . . . . 61 PRO CA . 11115 1 674 . 1 1 61 61 PRO CB C 13 32.614 0.300 . 1 . . . . 61 PRO CB . 11115 1 675 . 1 1 61 61 PRO CD C 13 51.715 0.300 . 1 . . . . 61 PRO CD . 11115 1 676 . 1 1 61 61 PRO CG C 13 27.623 0.300 . 1 . . . . 61 PRO CG . 11115 1 677 . 1 1 62 62 GLU H H 1 8.787 0.030 . 1 . . . . 62 GLU H . 11115 1 678 . 1 1 62 62 GLU HA H 1 4.159 0.030 . 1 . . . . 62 GLU HA . 11115 1 679 . 1 1 62 62 GLU HB2 H 1 2.240 0.030 . 2 . . . . 62 GLU HB2 . 11115 1 680 . 1 1 62 62 GLU HB3 H 1 2.075 0.030 . 2 . . . . 62 GLU HB3 . 11115 1 681 . 1 1 62 62 GLU HG2 H 1 2.854 0.030 . 2 . . . . 62 GLU HG2 . 11115 1 682 . 1 1 62 62 GLU HG3 H 1 2.801 0.030 . 2 . . . . 62 GLU HG3 . 11115 1 683 . 1 1 62 62 GLU C C 13 177.030 0.300 . 1 . . . . 62 GLU C . 11115 1 684 . 1 1 62 62 GLU CA C 13 57.236 0.300 . 1 . . . . 62 GLU CA . 11115 1 685 . 1 1 62 62 GLU CB C 13 32.081 0.300 . 1 . . . . 62 GLU CB . 11115 1 686 . 1 1 62 62 GLU CG C 13 38.020 0.300 . 1 . . . . 62 GLU CG . 11115 1 687 . 1 1 62 62 GLU N N 15 122.148 0.300 . 1 . . . . 62 GLU N . 11115 1 688 . 1 1 63 63 GLU H H 1 9.144 0.030 . 1 . . . . 63 GLU H . 11115 1 689 . 1 1 63 63 GLU HA H 1 4.246 0.030 . 1 . . . . 63 GLU HA . 11115 1 690 . 1 1 63 63 GLU HB2 H 1 1.710 0.030 . 2 . . . . 63 GLU HB2 . 11115 1 691 . 1 1 63 63 GLU HB3 H 1 1.948 0.030 . 2 . . . . 63 GLU HB3 . 11115 1 692 . 1 1 63 63 GLU HG2 H 1 2.302 0.030 . 1 . . . . 63 GLU HG2 . 11115 1 693 . 1 1 63 63 GLU HG3 H 1 2.302 0.030 . 1 . . . . 63 GLU HG3 . 11115 1 694 . 1 1 63 63 GLU C C 13 175.589 0.300 . 1 . . . . 63 GLU C . 11115 1 695 . 1 1 63 63 GLU CA C 13 57.000 0.300 . 1 . . . . 63 GLU CA . 11115 1 696 . 1 1 63 63 GLU CB C 13 30.953 0.300 . 1 . . . . 63 GLU CB . 11115 1 697 . 1 1 63 63 GLU CG C 13 36.452 0.300 . 1 . . . . 63 GLU CG . 11115 1 698 . 1 1 63 63 GLU N N 15 127.637 0.300 . 1 . . . . 63 GLU N . 11115 1 699 . 1 1 64 64 THR H H 1 8.309 0.030 . 1 . . . . 64 THR H . 11115 1 700 . 1 1 64 64 THR HA H 1 4.195 0.030 . 1 . . . . 64 THR HA . 11115 1 701 . 1 1 64 64 THR HB H 1 4.120 0.030 . 1 . . . . 64 THR HB . 11115 1 702 . 1 1 64 64 THR HG21 H 1 1.195 0.030 . 1 . . . . 64 THR HG2 . 11115 1 703 . 1 1 64 64 THR HG22 H 1 1.195 0.030 . 1 . . . . 64 THR HG2 . 11115 1 704 . 1 1 64 64 THR HG23 H 1 1.195 0.030 . 1 . . . . 64 THR HG2 . 11115 1 705 . 1 1 64 64 THR C C 13 174.108 0.300 . 1 . . . . 64 THR C . 11115 1 706 . 1 1 64 64 THR CA C 13 62.471 0.300 . 1 . . . . 64 THR CA . 11115 1 707 . 1 1 64 64 THR CB C 13 69.596 0.300 . 1 . . . . 64 THR CB . 11115 1 708 . 1 1 64 64 THR CG2 C 13 21.660 0.300 . 1 . . . . 64 THR CG2 . 11115 1 709 . 1 1 64 64 THR N N 15 117.905 0.300 . 1 . . . . 64 THR N . 11115 1 710 . 1 1 65 65 TRP H H 1 8.272 0.030 . 1 . . . . 65 TRP H . 11115 1 711 . 1 1 65 65 TRP HA H 1 4.781 0.030 . 1 . . . . 65 TRP HA . 11115 1 712 . 1 1 65 65 TRP HB2 H 1 3.044 0.030 . 1 . . . . 65 TRP HB2 . 11115 1 713 . 1 1 65 65 TRP HB3 H 1 3.044 0.030 . 1 . . . . 65 TRP HB3 . 11115 1 714 . 1 1 65 65 TRP HD1 H 1 7.081 0.030 . 1 . . . . 65 TRP HD1 . 11115 1 715 . 1 1 65 65 TRP HE1 H 1 10.083 0.030 . 1 . . . . 65 TRP HE1 . 11115 1 716 . 1 1 65 65 TRP HE3 H 1 7.323 0.030 . 1 . . . . 65 TRP HE3 . 11115 1 717 . 1 1 65 65 TRP HH2 H 1 7.022 0.030 . 1 . . . . 65 TRP HH2 . 11115 1 718 . 1 1 65 65 TRP HZ2 H 1 7.325 0.030 . 1 . . . . 65 TRP HZ2 . 11115 1 719 . 1 1 65 65 TRP HZ3 H 1 6.849 0.030 . 1 . . . . 65 TRP HZ3 . 11115 1 720 . 1 1 65 65 TRP C C 13 176.218 0.300 . 1 . . . . 65 TRP C . 11115 1 721 . 1 1 65 65 TRP CA C 13 56.707 0.300 . 1 . . . . 65 TRP CA . 11115 1 722 . 1 1 65 65 TRP CB C 13 29.872 0.300 . 1 . . . . 65 TRP CB . 11115 1 723 . 1 1 65 65 TRP CD1 C 13 127.509 0.300 . 1 . . . . 65 TRP CD1 . 11115 1 724 . 1 1 65 65 TRP CE3 C 13 120.991 0.300 . 1 . . . . 65 TRP CE3 . 11115 1 725 . 1 1 65 65 TRP CH2 C 13 124.548 0.300 . 1 . . . . 65 TRP CH2 . 11115 1 726 . 1 1 65 65 TRP CZ2 C 13 114.455 0.300 . 1 . . . . 65 TRP CZ2 . 11115 1 727 . 1 1 65 65 TRP CZ3 C 13 121.993 0.300 . 1 . . . . 65 TRP CZ3 . 11115 1 728 . 1 1 65 65 TRP N N 15 125.238 0.300 . 1 . . . . 65 TRP N . 11115 1 729 . 1 1 65 65 TRP NE1 N 15 129.720 0.300 . 1 . . . . 65 TRP NE1 . 11115 1 730 . 1 1 66 66 THR H H 1 7.992 0.030 . 1 . . . . 66 THR H . 11115 1 731 . 1 1 66 66 THR HA H 1 4.143 0.030 . 1 . . . . 66 THR HA . 11115 1 732 . 1 1 66 66 THR HB H 1 4.053 0.030 . 1 . . . . 66 THR HB . 11115 1 733 . 1 1 66 66 THR HG21 H 1 1.035 0.030 . 1 . . . . 66 THR HG2 . 11115 1 734 . 1 1 66 66 THR HG22 H 1 1.035 0.030 . 1 . . . . 66 THR HG2 . 11115 1 735 . 1 1 66 66 THR HG23 H 1 1.035 0.030 . 1 . . . . 66 THR HG2 . 11115 1 736 . 1 1 66 66 THR C C 13 174.612 0.300 . 1 . . . . 66 THR C . 11115 1 737 . 1 1 66 66 THR CA C 13 61.881 0.300 . 1 . . . . 66 THR CA . 11115 1 738 . 1 1 66 66 THR CB C 13 69.843 0.300 . 1 . . . . 66 THR CB . 11115 1 739 . 1 1 66 66 THR CG2 C 13 21.286 0.300 . 1 . . . . 66 THR CG2 . 11115 1 740 . 1 1 66 66 THR N N 15 116.292 0.300 . 1 . . . . 66 THR N . 11115 1 741 . 1 1 67 67 GLY H H 1 7.197 0.030 . 1 . . . . 67 GLY H . 11115 1 742 . 1 1 67 67 GLY HA2 H 1 3.800 0.030 . 2 . . . . 67 GLY HA2 . 11115 1 743 . 1 1 67 67 GLY HA3 H 1 3.613 0.030 . 2 . . . . 67 GLY HA3 . 11115 1 744 . 1 1 67 67 GLY C C 13 173.600 0.300 . 1 . . . . 67 GLY C . 11115 1 745 . 1 1 67 67 GLY CA C 13 45.279 0.300 . 1 . . . . 67 GLY CA . 11115 1 746 . 1 1 67 67 GLY N N 15 109.668 0.300 . 1 . . . . 67 GLY N . 11115 1 747 . 1 1 68 68 LEU H H 1 7.893 0.030 . 1 . . . . 68 LEU H . 11115 1 748 . 1 1 68 68 LEU HA H 1 4.320 0.030 . 1 . . . . 68 LEU HA . 11115 1 749 . 1 1 68 68 LEU HB2 H 1 1.518 0.030 . 1 . . . . 68 LEU HB2 . 11115 1 750 . 1 1 68 68 LEU HB3 H 1 1.518 0.030 . 1 . . . . 68 LEU HB3 . 11115 1 751 . 1 1 68 68 LEU HD11 H 1 0.816 0.030 . 1 . . . . 68 LEU HD1 . 11115 1 752 . 1 1 68 68 LEU HD12 H 1 0.816 0.030 . 1 . . . . 68 LEU HD1 . 11115 1 753 . 1 1 68 68 LEU HD13 H 1 0.816 0.030 . 1 . . . . 68 LEU HD1 . 11115 1 754 . 1 1 68 68 LEU HD21 H 1 0.763 0.030 . 1 . . . . 68 LEU HD2 . 11115 1 755 . 1 1 68 68 LEU HD22 H 1 0.763 0.030 . 1 . . . . 68 LEU HD2 . 11115 1 756 . 1 1 68 68 LEU HD23 H 1 0.763 0.030 . 1 . . . . 68 LEU HD2 . 11115 1 757 . 1 1 68 68 LEU HG H 1 1.478 0.030 . 1 . . . . 68 LEU HG . 11115 1 758 . 1 1 68 68 LEU C C 13 176.454 0.300 . 1 . . . . 68 LEU C . 11115 1 759 . 1 1 68 68 LEU CA C 13 54.997 0.300 . 1 . . . . 68 LEU CA . 11115 1 760 . 1 1 68 68 LEU CB C 13 42.441 0.300 . 1 . . . . 68 LEU CB . 11115 1 761 . 1 1 68 68 LEU CD1 C 13 25.065 0.300 . 2 . . . . 68 LEU CD1 . 11115 1 762 . 1 1 68 68 LEU CD2 C 13 23.274 0.300 . 2 . . . . 68 LEU CD2 . 11115 1 763 . 1 1 68 68 LEU CG C 13 26.897 0.300 . 1 . . . . 68 LEU CG . 11115 1 764 . 1 1 68 68 LEU N N 15 121.223 0.300 . 1 . . . . 68 LEU N . 11115 1 765 . 1 1 69 69 GLU H H 1 7.931 0.030 . 1 . . . . 69 GLU H . 11115 1 766 . 1 1 69 69 GLU HA H 1 4.067 0.030 . 1 . . . . 69 GLU HA . 11115 1 767 . 1 1 69 69 GLU HB2 H 1 2.009 0.030 . 2 . . . . 69 GLU HB2 . 11115 1 768 . 1 1 69 69 GLU HB3 H 1 1.872 0.030 . 2 . . . . 69 GLU HB3 . 11115 1 769 . 1 1 69 69 GLU HG2 H 1 2.177 0.030 . 1 . . . . 69 GLU HG2 . 11115 1 770 . 1 1 69 69 GLU HG3 H 1 2.177 0.030 . 1 . . . . 69 GLU HG3 . 11115 1 771 . 1 1 69 69 GLU C C 13 181.112 0.300 . 1 . . . . 69 GLU C . 11115 1 772 . 1 1 69 69 GLU CA C 13 58.196 0.300 . 1 . . . . 69 GLU CA . 11115 1 773 . 1 1 69 69 GLU CB C 13 31.129 0.300 . 1 . . . . 69 GLU CB . 11115 1 774 . 1 1 69 69 GLU CG C 13 36.710 0.300 . 1 . . . . 69 GLU CG . 11115 1 775 . 1 1 69 69 GLU N N 15 126.013 0.300 . 1 . . . . 69 GLU N . 11115 1 776 . 2 2 1 1 ALA HA H 1 4.230 0.030 . 1 . . . . 101 ALA HA . 11115 1 777 . 2 2 1 1 ALA HB1 H 1 1.436 0.030 . 1 . . . . 101 ALA HB . 11115 1 778 . 2 2 1 1 ALA HB2 H 1 1.436 0.030 . 1 . . . . 101 ALA HB . 11115 1 779 . 2 2 1 1 ALA HB3 H 1 1.436 0.030 . 1 . . . . 101 ALA HB . 11115 1 780 . 2 2 2 2 ARG H H 1 9.097 0.030 . 1 . . . . 102 ARG H . 11115 1 781 . 2 2 2 2 ARG HA H 1 4.503 0.030 . 1 . . . . 102 ARG HA . 11115 1 782 . 2 2 2 2 ARG HB2 H 1 1.777 0.030 . 2 . . . . 102 ARG HB2 . 11115 1 783 . 2 2 2 2 ARG HB3 H 1 1.718 0.030 . 2 . . . . 102 ARG HB3 . 11115 1 784 . 2 2 2 2 ARG HD2 H 1 3.221 0.030 . 2 . . . . 102 ARG HD2 . 11115 1 785 . 2 2 2 2 ARG HD3 H 1 3.235 0.030 . 2 . . . . 102 ARG HD3 . 11115 1 786 . 2 2 2 2 ARG HG2 H 1 1.648 0.030 . 2 . . . . 102 ARG HG2 . 11115 1 787 . 2 2 2 2 ARG HG3 H 1 1.653 0.030 . 2 . . . . 102 ARG HG3 . 11115 1 788 . 2 2 3 3 THR H H 1 8.147 0.030 . 1 . . . . 103 THR H . 11115 1 789 . 2 2 3 3 THR HA H 1 5.810 0.030 . 1 . . . . 103 THR HA . 11115 1 790 . 2 2 3 3 THR HB H 1 4.205 0.030 . 1 . . . . 103 THR HB . 11115 1 791 . 2 2 3 3 THR HG21 H 1 0.987 0.030 . 1 . . . . 103 THR HG2 . 11115 1 792 . 2 2 3 3 THR HG22 H 1 0.987 0.030 . 1 . . . . 103 THR HG2 . 11115 1 793 . 2 2 3 3 THR HG23 H 1 0.987 0.030 . 1 . . . . 103 THR HG2 . 11115 1 794 . 2 2 4 4 M3L H H 1 8.861 0.030 . 1 . . . . 104 LYS H . 11115 1 795 . 2 2 4 4 M3L HA H 1 4.652 0.030 . 1 . . . . 104 LYS HA . 11115 1 796 . 2 2 4 4 M3L HB2 H 1 1.433 0.030 . 2 . . . . 104 LYS HB2 . 11115 1 797 . 2 2 4 4 M3L HB3 H 1 1.367 0.030 . 2 . . . . 104 LYS HB3 . 11115 1 798 . 2 2 4 4 M3L HD2 H 1 -0.010 0.030 . 2 . . . . 104 LYS HD2 . 11115 1 799 . 2 2 4 4 M3L HD3 H 1 0.583 0.030 . 2 . . . . 104 LYS HD3 . 11115 1 800 . 2 2 4 4 M3L HE2 H 1 0.795 0.030 . 2 . . . . 104 LYS HE2 . 11115 1 801 . 2 2 4 4 M3L HE3 H 1 0.864 0.030 . 2 . . . . 104 LYS HE3 . 11115 1 802 . 2 2 4 4 M3L HG2 H 1 0.652 0.030 . 2 . . . . 104 LYS HG2 . 11115 1 803 . 2 2 4 4 M3L HG3 H 1 0.533 0.030 . 2 . . . . 104 LYS HG3 . 11115 1 804 . 2 2 5 5 GLN H H 1 8.512 0.030 . 1 . . . . 105 GLN H . 11115 1 805 . 2 2 5 5 GLN HA H 1 5.527 0.030 . 1 . . . . 105 GLN HA . 11115 1 806 . 2 2 5 5 GLN HB2 H 1 2.039 0.030 . 2 . . . . 105 GLN HB2 . 11115 1 807 . 2 2 5 5 GLN HB3 H 1 1.924 0.030 . 2 . . . . 105 GLN HB3 . 11115 1 808 . 2 2 5 5 GLN HE21 H 1 7.307 0.030 . 2 . . . . 105 GLN HE21 . 11115 1 809 . 2 2 5 5 GLN HE22 H 1 6.773 0.030 . 2 . . . . 105 GLN HE22 . 11115 1 810 . 2 2 5 5 GLN HG2 H 1 2.278 0.030 . 1 . . . . 105 GLN HG2 . 11115 1 811 . 2 2 5 5 GLN HG3 H 1 2.278 0.030 . 1 . . . . 105 GLN HG3 . 11115 1 812 . 2 2 6 6 THR H H 1 8.901 0.030 . 1 . . . . 106 THR H . 11115 1 813 . 2 2 6 6 THR HA H 1 4.530 0.030 . 1 . . . . 106 THR HA . 11115 1 814 . 2 2 6 6 THR HB H 1 4.278 0.030 . 1 . . . . 106 THR HB . 11115 1 815 . 2 2 6 6 THR HG21 H 1 0.747 0.030 . 1 . . . . 106 THR HG2 . 11115 1 816 . 2 2 6 6 THR HG22 H 1 0.747 0.030 . 1 . . . . 106 THR HG2 . 11115 1 817 . 2 2 6 6 THR HG23 H 1 0.747 0.030 . 1 . . . . 106 THR HG2 . 11115 1 818 . 2 2 7 7 ALA H H 1 8.515 0.030 . 1 . . . . 107 ALA H . 11115 1 819 . 2 2 7 7 ALA HA H 1 4.515 0.030 . 1 . . . . 107 ALA HA . 11115 1 820 . 2 2 7 7 ALA HB1 H 1 1.392 0.030 . 1 . . . . 107 ALA HB . 11115 1 821 . 2 2 7 7 ALA HB2 H 1 1.392 0.030 . 1 . . . . 107 ALA HB . 11115 1 822 . 2 2 7 7 ALA HB3 H 1 1.392 0.030 . 1 . . . . 107 ALA HB . 11115 1 823 . 2 2 8 8 ARG H H 1 8.515 0.030 . 1 . . . . 108 ARG H . 11115 1 824 . 2 2 8 8 ARG HA H 1 4.330 0.030 . 1 . . . . 108 ARG HA . 11115 1 825 . 2 2 8 8 ARG HB2 H 1 1.825 0.030 . 1 . . . . 108 ARG HB2 . 11115 1 826 . 2 2 8 8 ARG HB3 H 1 1.825 0.030 . 1 . . . . 108 ARG HB3 . 11115 1 827 . 2 2 8 8 ARG HD2 H 1 3.137 0.030 . 1 . . . . 108 ARG HD2 . 11115 1 828 . 2 2 8 8 ARG HD3 H 1 3.137 0.030 . 1 . . . . 108 ARG HD3 . 11115 1 829 . 2 2 8 8 ARG HE H 1 7.174 0.030 . 1 . . . . 108 ARG HE . 11115 1 830 . 2 2 8 8 ARG HG2 H 1 1.691 0.030 . 2 . . . . 108 ARG HG2 . 11115 1 831 . 2 2 8 8 ARG HG3 H 1 1.595 0.030 . 2 . . . . 108 ARG HG3 . 11115 1 832 . 2 2 9 9 LYS H H 1 8.372 0.030 . 1 . . . . 109 LYS H . 11115 1 833 . 2 2 9 9 LYS HA H 1 4.334 0.030 . 1 . . . . 109 LYS HA . 11115 1 834 . 2 2 9 9 LYS HB2 H 1 1.829 0.030 . 1 . . . . 109 LYS HB2 . 11115 1 835 . 2 2 9 9 LYS HB3 H 1 1.829 0.030 . 1 . . . . 109 LYS HB3 . 11115 1 836 . 2 2 9 9 LYS HD2 H 1 1.692 0.030 . 1 . . . . 109 LYS HD2 . 11115 1 837 . 2 2 9 9 LYS HD3 H 1 1.692 0.030 . 1 . . . . 109 LYS HD3 . 11115 1 838 . 2 2 9 9 LYS HG2 H 1 1.599 0.030 . 1 . . . . 109 LYS HG2 . 11115 1 839 . 2 2 9 9 LYS HG3 H 1 1.599 0.030 . 1 . . . . 109 LYS HG3 . 11115 1 840 . 2 2 10 10 SER H H 1 7.990 0.030 . 1 . . . . 110 SER H . 11115 1 841 . 2 2 10 10 SER HA H 1 4.233 0.030 . 1 . . . . 110 SER HA . 11115 1 842 . 2 2 10 10 SER HB2 H 1 3.826 0.030 . 1 . . . . 110 SER HB2 . 11115 1 843 . 2 2 10 10 SER HB3 H 1 3.826 0.030 . 1 . . . . 110 SER HB3 . 11115 1 stop_ save_