data_36816 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36816 _Entry.Title ; Solution structures of BRD9 bromodomain in complex with histone H3 acetyl-lysine 18 (H3K18ac) peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-12-11 _Entry.Accession_date 2026-03-10 _Entry.Last_release_date 2026-03-10 _Entry.Original_release_date 2026-03-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.0.16 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 E. Wei E. . . . 36816 2 L. Zeng L. . . . 36816 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BRD9 . 36816 'PROTEIN BINDING' . 36816 'chromatin accessibility' . 36816 'chromatin remodeling' . 36816 'hepatocellular carcinoma' . 36816 'histone lactylation' . 36816 'transcription regulation' . 36816 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36816 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 458 36816 '15N chemical shifts' 107 36816 '1H chemical shifts' 869 36816 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 . . 2026-06-07 . original BMRB . 36816 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36817 'Solution structures of BRD9 bromodomain in complex with histone H3 lactyl-lysine 18 (H3K18la) peptide' 36816 PDB 21GE 'BMRB Entry Tracking System' 36816 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36816 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41792243 _Citation.DOI 10.1038/s41418-026-01698-6 _Citation.Full_citation . _Citation.Title ; BRD9 recognizes lactate-induced H3K18 lactylation to drive oncogenic chromatin remodeling in hepatocellular carcinoma. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Death Differ.' _Citation.Journal_name_full 'Cell death and differentiation' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1350-9047 _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2026 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Enwei Wei E. . . . 36816 1 2 Donglei Ji D. . . . 36816 1 3 Yanjie Jia Y. . . . 36816 1 4 Ze Sun Z. . . . 36816 1 5 Chunfeng Gao C. . . . 36816 1 6 Caroline Zeng C. . . . 36816 1 7 Chunyu Wang C. . . . 36816 1 8 Miaomiao Yu M. . . . 36816 1 9 Guanglei Shang G. . . . 36816 1 10 Linying Xie L. . . . 36816 1 11 Wenju Zhang W. . . . 36816 1 12 Yameng Li Y. . . . 36816 1 13 Yingying Liang Y. . . . 36816 1 14 Bai Ji B. . . . 36816 1 15 Yanzhu Yue Y. . . . 36816 1 16 Yahui Liu Y. . . . 36816 1 17 Ming-Ming Zhou M. M. . . 36816 1 18 Lei Zeng L. . . . 36816 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36816 _Assembly.ID 1 _Assembly.Name 'Bromodomain-containing protein 9, Histone H3.3C' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 14927.269 _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 entity_1 1 $entity_1 A A yes . . . . 'Rhabdomyosarcoma antigen MU-RMS-40.8' . 36816 1 2 entity_2 2 $entity_2 B B yes . . . . 'Histone H3.5' . 36816 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_asym_ID_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_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 covalent sing . 2 entity_2 2 ARG 7 7 C . 2 entity_2 2 ALY 8 8 N . . B 207 ARG C . . B 208 ALY N 36816 1 2 covalent sing . 2 entity_2 2 ALY 8 8 C . 2 entity_2 2 GLN 9 9 N . . B 208 ALY C . . B 209 GLN N 36816 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 . 2 . ARG 7 7 OXT B 207 ARG OXT 36816 1 2 . 2 . ALY 8 8 H2 B 208 ALY H2 36816 1 3 . 2 . ALY 8 8 OXT B 208 ALY OXT 36816 1 4 . 2 . GLN 9 9 H2 B 209 GLN H2 36816 1 stop_ loop_ _Chem_comp_assembly.Assembly_chem_comp_ID _Chem_comp_assembly.Entity_assembly_ID _Chem_comp_assembly.Entity_ID _Chem_comp_assembly.Comp_index_ID _Chem_comp_assembly.Comp_ID _Chem_comp_assembly.Seq_ID _Chem_comp_assembly.Auth_entity_assembly_ID _Chem_comp_assembly.Auth_asym_ID _Chem_comp_assembly.Auth_seq_ID _Chem_comp_assembly.Auth_comp_ID _Chem_comp_assembly.Auth_variant_ID _Chem_comp_assembly.Sequence_linking _Chem_comp_assembly.Cis_residue _Chem_comp_assembly.NEF_index _Chem_comp_assembly.Entry_ID _Chem_comp_assembly.Assembly_ID . 1 1 1 ALA 1 . A 1 ALA . start . . 36816 1 . 1 1 10 GLN 10 . A 10 GLN . middle . . 36816 1 . 1 1 100 GLY 100 . A 100 GLY . middle no . 36816 1 . 1 1 101 PHE 101 . A 101 PHE . middle . . 36816 1 . 1 1 102 LYS 102 . A 102 LYS . middle . . 36816 1 . 1 1 103 MET 103 . A 103 MET . middle . . 36816 1 . 1 1 104 MET 104 . A 104 MET . middle . . 36816 1 . 1 1 105 SER 105 . A 105 SER . middle . . 36816 1 . 1 1 106 LYS 106 . A 106 LYS . middle . . 36816 1 . 1 1 107 GLN 107 . A 107 GLN . middle . . 36816 1 . 1 1 108 ALA 108 . A 108 ALA . middle . . 36816 1 . 1 1 109 ALA 109 . A 109 ALA . middle . . 36816 1 . 1 1 11 LEU 11 . A 11 LEU . middle . . 36816 1 . 1 1 110 LEU 110 . A 110 LEU . middle . . 36816 1 . 1 1 111 LEU 111 . A 111 LEU . middle . . 36816 1 . 1 1 112 GLY 112 . A 112 GLY . middle no . 36816 1 . 1 1 113 ASN 113 . A 113 ASN . middle . . 36816 1 . 1 1 114 GLU 114 . A 114 GLU . middle . . 36816 1 . 1 1 115 ASP 115 . A 115 ASP . middle . . 36816 1 . 1 1 116 THR 116 . A 116 THR . middle . . 36816 1 . 1 1 117 ALA 117 . A 117 ALA . end . . 36816 1 . 1 1 12 LEU 12 . A 12 LEU . middle . . 36816 1 . 1 1 13 GLU 13 . A 13 GLU . middle . . 36816 1 . 1 1 14 HIS 14 . A 14 HIS . middle . . 36816 1 . 1 1 15 PHE 15 . A 15 PHE . middle . . 36816 1 . 1 1 16 LEU 16 . A 16 LEU . middle . . 36816 1 . 1 1 17 ARG 17 . A 17 ARG . middle . . 36816 1 . 1 1 18 GLN 18 . A 18 GLN . middle . . 36816 1 . 1 1 19 LEU 19 . A 19 LEU . middle . . 36816 1 . 1 1 2 GLU 2 . A 2 GLU . middle . . 36816 1 . 1 1 20 GLN 20 . A 20 GLN . middle . . 36816 1 . 1 1 21 ARG 21 . A 21 ARG . middle . . 36816 1 . 1 1 22 LYS 22 . A 22 LYS . middle . . 36816 1 . 1 1 23 ASP 23 . A 23 ASP . middle . . 36816 1 . 1 1 24 PRO 24 . A 24 PRO . middle no . 36816 1 . 1 1 25 HIS 25 . A 25 HIS . middle . . 36816 1 . 1 1 26 GLY 26 . A 26 GLY . middle no . 36816 1 . 1 1 27 PHE 27 . A 27 PHE . middle . . 36816 1 . 1 1 28 PHE 28 . A 28 PHE . middle . . 36816 1 . 1 1 29 ALA 29 . A 29 ALA . middle . . 36816 1 . 1 1 3 ASN 3 . A 3 ASN . middle . . 36816 1 . 1 1 30 PHE 30 . A 30 PHE . middle . . 36816 1 . 1 1 31 PRO 31 . A 31 PRO . middle no . 36816 1 . 1 1 32 VAL 32 . A 32 VAL . middle . . 36816 1 . 1 1 33 THR 33 . A 33 THR . middle . . 36816 1 . 1 1 34 ASP 34 . A 34 ASP . middle . . 36816 1 . 1 1 35 ALA 35 . A 35 ALA . middle . . 36816 1 . 1 1 36 ILE 36 . A 36 ILE . middle . . 36816 1 . 1 1 37 ALA 37 . A 37 ALA . middle . . 36816 1 . 1 1 38 PRO 38 . A 38 PRO . middle no . 36816 1 . 1 1 39 GLY 39 . A 39 GLY . middle no . 36816 1 . 1 1 4 GLU 4 . A 4 GLU . middle . . 36816 1 . 1 1 40 TYR 40 . A 40 TYR . middle . . 36816 1 . 1 1 41 SER 41 . A 41 SER . middle . . 36816 1 . 1 1 42 MET 42 . A 42 MET . middle . . 36816 1 . 1 1 43 ILE 43 . A 43 ILE . middle . . 36816 1 . 1 1 44 ILE 44 . A 44 ILE . middle . . 36816 1 . 1 1 45 LYS 45 . A 45 LYS . middle . . 36816 1 . 1 1 46 HIS 46 . A 46 HIS . middle . . 36816 1 . 1 1 47 PRO 47 . A 47 PRO . middle no . 36816 1 . 1 1 48 MET 48 . A 48 MET . middle . . 36816 1 . 1 1 49 ASP 49 . A 49 ASP . middle . . 36816 1 . 1 1 5 SER 5 . A 5 SER . middle . . 36816 1 . 1 1 50 PHE 50 . A 50 PHE . middle . . 36816 1 . 1 1 51 GLY 51 . A 51 GLY . middle no . 36816 1 . 1 1 52 THR 52 . A 52 THR . middle . . 36816 1 . 1 1 53 MET 53 . A 53 MET . middle . . 36816 1 . 1 1 54 LYS 54 . A 54 LYS . middle . . 36816 1 . 1 1 55 ASP 55 . A 55 ASP . middle . . 36816 1 . 1 1 56 LYS 56 . A 56 LYS . middle . . 36816 1 . 1 1 57 ILE 57 . A 57 ILE . middle . . 36816 1 . 1 1 58 VAL 58 . A 58 VAL . middle . . 36816 1 . 1 1 59 ALA 59 . A 59 ALA . middle . . 36816 1 . 1 1 6 THR 6 . A 6 THR . middle . . 36816 1 . 1 1 60 ASN 60 . A 60 ASN . middle . . 36816 1 . 1 1 61 GLU 61 . A 61 GLU . middle . . 36816 1 . 1 1 62 TYR 62 . A 62 TYR . middle . . 36816 1 . 1 1 63 LYS 63 . A 63 LYS . middle . . 36816 1 . 1 1 64 SER 64 . A 64 SER . middle . . 36816 1 . 1 1 65 VAL 65 . A 65 VAL . middle . . 36816 1 . 1 1 66 THR 66 . A 66 THR . middle . . 36816 1 . 1 1 67 GLU 67 . A 67 GLU . middle . . 36816 1 . 1 1 68 PHE 68 . A 68 PHE . middle . . 36816 1 . 1 1 69 LYS 69 . A 69 LYS . middle . . 36816 1 . 1 1 7 PRO 7 . A 7 PRO . middle no . 36816 1 . 1 1 70 ALA 70 . A 70 ALA . middle . . 36816 1 . 1 1 71 ASP 71 . A 71 ASP . middle . . 36816 1 . 1 1 72 PHE 72 . A 72 PHE . middle . . 36816 1 . 1 1 73 LYS 73 . A 73 LYS . middle . . 36816 1 . 1 1 74 LEU 74 . A 74 LEU . middle . . 36816 1 . 1 1 75 MET 75 . A 75 MET . middle . . 36816 1 . 1 1 76 CYS 76 . A 76 CYS . middle . . 36816 1 . 1 1 77 ASP 77 . A 77 ASP . middle . . 36816 1 . 1 1 78 ASN 78 . A 78 ASN . middle . . 36816 1 . 1 1 79 ALA 79 . A 79 ALA . middle . . 36816 1 . 1 1 8 ILE 8 . A 8 ILE . middle . . 36816 1 . 1 1 80 MET 80 . A 80 MET . middle . . 36816 1 . 1 1 81 THR 81 . A 81 THR . middle . . 36816 1 . 1 1 82 TYR 82 . A 82 TYR . middle . . 36816 1 . 1 1 83 ASN 83 . A 83 ASN . middle . . 36816 1 . 1 1 84 ARG 84 . A 84 ARG . middle . . 36816 1 . 1 1 85 PRO 85 . A 85 PRO . middle no . 36816 1 . 1 1 86 ASP 86 . A 86 ASP . middle . . 36816 1 . 1 1 87 THR 87 . A 87 THR . middle . . 36816 1 . 1 1 88 VAL 88 . A 88 VAL . middle . . 36816 1 . 1 1 89 TYR 89 . A 89 TYR . middle . . 36816 1 . 1 1 9 GLN 9 . A 9 GLN . middle . . 36816 1 . 1 1 90 TYR 90 . A 90 TYR . middle . . 36816 1 . 1 1 91 LYS 91 . A 91 LYS . middle . . 36816 1 . 1 1 92 LEU 92 . A 92 LEU . middle . . 36816 1 . 1 1 93 ALA 93 . A 93 ALA . middle . . 36816 1 . 1 1 94 LYS 94 . A 94 LYS . middle . . 36816 1 . 1 1 95 LYS 95 . A 95 LYS . middle . . 36816 1 . 1 1 96 ILE 96 . A 96 ILE . middle . . 36816 1 . 1 1 97 LEU 97 . A 97 LEU . middle . . 36816 1 . 1 1 98 HIS 98 . A 98 HIS . middle . . 36816 1 . 1 1 99 ALA 99 . A 99 ALA . middle . . 36816 1 . 2 2 1 THR 1 . B 201 THR . start . . 36816 1 . 2 2 10 LEU 10 . B 210 LEU . middle . . 36816 1 . 2 2 11 ALA 11 . B 211 ALA . middle . . 36816 1 . 2 2 12 THR 12 . B 212 THR . middle . . 36816 1 . 2 2 13 LYS 13 . B 213 LYS . middle . . 36816 1 . 2 2 14 ALA 14 . B 214 ALA . middle . . 36816 1 . 2 2 15 ALA 15 . B 215 ALA . end . . 36816 1 . 2 2 2 GLY 2 . B 202 GLY . middle no . 36816 1 . 2 2 3 GLY 3 . B 203 GLY . middle no . 36816 1 . 2 2 4 LYS 4 . B 204 LYS . middle . . 36816 1 . 2 2 5 ALA 5 . B 205 ALA . middle . . 36816 1 . 2 2 6 PRO 6 . B 206 PRO . middle no . 36816 1 . 2 2 7 ARG 7 . B 207 ARG . middle . . 36816 1 . 2 2 8 ALY 8 . B 208 ALY . middle . . 36816 1 . 2 2 9 GLN 9 . B 209 GLN . middle . . 36816 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36816 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Bromodomain-containing protein 9' _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; AENESTPIQQLLEHFLRQLQ RKDPHGFFAFPVTDAIAPGY SMIIKHPMDFGTMKDKIVAN EYKSVTEFKADFKLMCDNAM TYNRPDTVYYKLAKKILHAG FKMMSKQAALLGNEDTA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13384.468 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Rhabdomyosarcoma antigen MU-RMS-40.8' common 36816 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 36816 1 2 2 GLU . 36816 1 3 3 ASN . 36816 1 4 4 GLU . 36816 1 5 5 SER . 36816 1 6 6 THR . 36816 1 7 7 PRO . 36816 1 8 8 ILE . 36816 1 9 9 GLN . 36816 1 10 10 GLN . 36816 1 11 11 LEU . 36816 1 12 12 LEU . 36816 1 13 13 GLU . 36816 1 14 14 HIS . 36816 1 15 15 PHE . 36816 1 16 16 LEU . 36816 1 17 17 ARG . 36816 1 18 18 GLN . 36816 1 19 19 LEU . 36816 1 20 20 GLN . 36816 1 21 21 ARG . 36816 1 22 22 LYS . 36816 1 23 23 ASP . 36816 1 24 24 PRO . 36816 1 25 25 HIS . 36816 1 26 26 GLY . 36816 1 27 27 PHE . 36816 1 28 28 PHE . 36816 1 29 29 ALA . 36816 1 30 30 PHE . 36816 1 31 31 PRO . 36816 1 32 32 VAL . 36816 1 33 33 THR . 36816 1 34 34 ASP . 36816 1 35 35 ALA . 36816 1 36 36 ILE . 36816 1 37 37 ALA . 36816 1 38 38 PRO . 36816 1 39 39 GLY . 36816 1 40 40 TYR . 36816 1 41 41 SER . 36816 1 42 42 MET . 36816 1 43 43 ILE . 36816 1 44 44 ILE . 36816 1 45 45 LYS . 36816 1 46 46 HIS . 36816 1 47 47 PRO . 36816 1 48 48 MET . 36816 1 49 49 ASP . 36816 1 50 50 PHE . 36816 1 51 51 GLY . 36816 1 52 52 THR . 36816 1 53 53 MET . 36816 1 54 54 LYS . 36816 1 55 55 ASP . 36816 1 56 56 LYS . 36816 1 57 57 ILE . 36816 1 58 58 VAL . 36816 1 59 59 ALA . 36816 1 60 60 ASN . 36816 1 61 61 GLU . 36816 1 62 62 TYR . 36816 1 63 63 LYS . 36816 1 64 64 SER . 36816 1 65 65 VAL . 36816 1 66 66 THR . 36816 1 67 67 GLU . 36816 1 68 68 PHE . 36816 1 69 69 LYS . 36816 1 70 70 ALA . 36816 1 71 71 ASP . 36816 1 72 72 PHE . 36816 1 73 73 LYS . 36816 1 74 74 LEU . 36816 1 75 75 MET . 36816 1 76 76 CYS . 36816 1 77 77 ASP . 36816 1 78 78 ASN . 36816 1 79 79 ALA . 36816 1 80 80 MET . 36816 1 81 81 THR . 36816 1 82 82 TYR . 36816 1 83 83 ASN . 36816 1 84 84 ARG . 36816 1 85 85 PRO . 36816 1 86 86 ASP . 36816 1 87 87 THR . 36816 1 88 88 VAL . 36816 1 89 89 TYR . 36816 1 90 90 TYR . 36816 1 91 91 LYS . 36816 1 92 92 LEU . 36816 1 93 93 ALA . 36816 1 94 94 LYS . 36816 1 95 95 LYS . 36816 1 96 96 ILE . 36816 1 97 97 LEU . 36816 1 98 98 HIS . 36816 1 99 99 ALA . 36816 1 100 100 GLY . 36816 1 101 101 PHE . 36816 1 102 102 LYS . 36816 1 103 103 MET . 36816 1 104 104 MET . 36816 1 105 105 SER . 36816 1 106 106 LYS . 36816 1 107 107 GLN . 36816 1 108 108 ALA . 36816 1 109 109 ALA . 36816 1 110 110 LEU . 36816 1 111 111 LEU . 36816 1 112 112 GLY . 36816 1 113 113 ASN . 36816 1 114 114 GLU . 36816 1 115 115 ASP . 36816 1 116 116 THR . 36816 1 117 117 ALA . 36816 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 . ALA 1 1 36816 1 . GLU 2 2 36816 1 . ASN 3 3 36816 1 . GLU 4 4 36816 1 . SER 5 5 36816 1 . THR 6 6 36816 1 . PRO 7 7 36816 1 . ILE 8 8 36816 1 . GLN 9 9 36816 1 . GLN 10 10 36816 1 . LEU 11 11 36816 1 . LEU 12 12 36816 1 . GLU 13 13 36816 1 . HIS 14 14 36816 1 . PHE 15 15 36816 1 . LEU 16 16 36816 1 . ARG 17 17 36816 1 . GLN 18 18 36816 1 . LEU 19 19 36816 1 . GLN 20 20 36816 1 . ARG 21 21 36816 1 . LYS 22 22 36816 1 . ASP 23 23 36816 1 . PRO 24 24 36816 1 . HIS 25 25 36816 1 . GLY 26 26 36816 1 . PHE 27 27 36816 1 . PHE 28 28 36816 1 . ALA 29 29 36816 1 . PHE 30 30 36816 1 . PRO 31 31 36816 1 . VAL 32 32 36816 1 . THR 33 33 36816 1 . ASP 34 34 36816 1 . ALA 35 35 36816 1 . ILE 36 36 36816 1 . ALA 37 37 36816 1 . PRO 38 38 36816 1 . GLY 39 39 36816 1 . TYR 40 40 36816 1 . SER 41 41 36816 1 . MET 42 42 36816 1 . ILE 43 43 36816 1 . ILE 44 44 36816 1 . LYS 45 45 36816 1 . HIS 46 46 36816 1 . PRO 47 47 36816 1 . MET 48 48 36816 1 . ASP 49 49 36816 1 . PHE 50 50 36816 1 . GLY 51 51 36816 1 . THR 52 52 36816 1 . MET 53 53 36816 1 . LYS 54 54 36816 1 . ASP 55 55 36816 1 . LYS 56 56 36816 1 . ILE 57 57 36816 1 . VAL 58 58 36816 1 . ALA 59 59 36816 1 . ASN 60 60 36816 1 . GLU 61 61 36816 1 . TYR 62 62 36816 1 . LYS 63 63 36816 1 . SER 64 64 36816 1 . VAL 65 65 36816 1 . THR 66 66 36816 1 . GLU 67 67 36816 1 . PHE 68 68 36816 1 . LYS 69 69 36816 1 . ALA 70 70 36816 1 . ASP 71 71 36816 1 . PHE 72 72 36816 1 . LYS 73 73 36816 1 . LEU 74 74 36816 1 . MET 75 75 36816 1 . CYS 76 76 36816 1 . ASP 77 77 36816 1 . ASN 78 78 36816 1 . ALA 79 79 36816 1 . MET 80 80 36816 1 . THR 81 81 36816 1 . TYR 82 82 36816 1 . ASN 83 83 36816 1 . ARG 84 84 36816 1 . PRO 85 85 36816 1 . ASP 86 86 36816 1 . THR 87 87 36816 1 . VAL 88 88 36816 1 . TYR 89 89 36816 1 . TYR 90 90 36816 1 . LYS 91 91 36816 1 . LEU 92 92 36816 1 . ALA 93 93 36816 1 . LYS 94 94 36816 1 . LYS 95 95 36816 1 . ILE 96 96 36816 1 . LEU 97 97 36816 1 . HIS 98 98 36816 1 . ALA 99 99 36816 1 . GLY 100 100 36816 1 . PHE 101 101 36816 1 . LYS 102 102 36816 1 . MET 103 103 36816 1 . MET 104 104 36816 1 . SER 105 105 36816 1 . LYS 106 106 36816 1 . GLN 107 107 36816 1 . ALA 108 108 36816 1 . ALA 109 109 36816 1 . LEU 110 110 36816 1 . LEU 111 111 36816 1 . GLY 112 112 36816 1 . ASN 113 113 36816 1 . GLU 114 114 36816 1 . ASP 115 115 36816 1 . THR 116 116 36816 1 . ALA 117 117 36816 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 36816 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'Histone H3.3C' _Entity.Type polymer _Entity.Polymer_common_type protein _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 ; TGGKAPRXQLATKAA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1542.801 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Histone H3.5' common 36816 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 201 THR . 36816 2 2 202 GLY . 36816 2 3 203 GLY . 36816 2 4 204 LYS . 36816 2 5 205 ALA . 36816 2 6 206 PRO . 36816 2 7 207 ARG . 36816 2 8 208 ALY $chem_comp_ALY 36816 2 9 209 GLN . 36816 2 10 210 LEU . 36816 2 11 211 ALA . 36816 2 12 212 THR . 36816 2 13 213 LYS . 36816 2 14 214 ALA . 36816 2 15 215 ALA . 36816 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 . THR 1 1 36816 2 . GLY 2 2 36816 2 . GLY 3 3 36816 2 . LYS 4 4 36816 2 . ALA 5 5 36816 2 . PRO 6 6 36816 2 . ARG 7 7 36816 2 . ALY 8 8 36816 2 . GLN 9 9 36816 2 . LEU 10 10 36816 2 . ALA 11 11 36816 2 . THR 12 12 36816 2 . LYS 13 13 36816 2 . ALA 14 14 36816 2 . ALA 15 15 36816 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36816 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . . Metazoa Homo sapiens . . . . . . . . . . . 'BRD9, UNQ3040/PRO9856' . 36816 1 2 2 $entity_2 . 9606 'no natural source' . 'Homo sapiens' human . . . . . . . . . . . . . . . . . . . 36816 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 36816 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . 36816 1 2 2 $entity_2 . 'chemical synthesis' unidentified . . . . . . . . . . . . . . . 36816 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ALY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ALY _Chem_comp.Entry_ID 36816 _Chem_comp.ID ALY _Chem_comp.Provenance PDB _Chem_comp.Name N(6)-ACETYLLYSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code ALY _Chem_comp.PDB_code ALY _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code K _Chem_comp.Three_letter_code ALY _Chem_comp.Number_atoms_all 29 _Chem_comp.Number_atoms_nh 13 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 _Chem_comp.Mon_nstd_flag no _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C8 H16 N2 O3' _Chem_comp.Formula_weight 188.224 _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 1E6I _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _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 CC(=O)NCCCCC(C(=O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 36816 ALY CC(=O)NCCCC[C@@H](C(=O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 36816 ALY CC(=O)NCCCC[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 36816 ALY CC(=O)NCCCC[CH](N)C(O)=O SMILES CACTVS 3.341 36816 ALY DTERQYGMUDWYAZ-ZETCQYMHSA-N InChIKey InChI 1.03 36816 ALY InChI=1S/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 InChI InChI 1.03 36816 ALY O=C(NCCCCC(N)C(=O)O)C SMILES ACDLabs 10.04 36816 ALY 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 '(2S)-6-acetamido-2-amino-hexanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 36816 ALY N~6~-acetyl-L-lysine 'SYSTEMATIC NAME' ACDLabs 10.04 36816 ALY 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 OH OH OH OH . O . . N 0 . . . 1 N N . . . . 9.990 . 20.290 . -7.423 . 1.006 -0.557 4.738 1 . 36816 ALY CH CH CH CH . C . . N 0 . . . 1 N N . . . . 11.031 . 21.048 . -7.196 . -0.053 0.007 4.572 2 . 36816 ALY CH3 CH3 CH3 CH3 . C . . N 0 . . . 1 N N . . . . 11.087 . 21.981 . -6.014 . -0.861 0.460 5.761 3 . 36816 ALY NZ NZ NZ NZ . N . . N 0 . . . 1 N N . . . . 12.165 . 21.027 . -8.042 . -0.509 0.231 3.324 4 . 36816 ALY CE CE CE CE . C . . N 0 . . . 1 N N . . . . 11.999 . 20.068 . -9.164 . 0.275 -0.208 2.167 5 . 36816 ALY CD CD CD CD . C . . N 0 . . . 1 N N . . . . 11.485 . 20.768 . -10.423 . -0.461 0.164 0.879 6 . 36816 ALY CG CG CG CG . C . . N 0 . . . 1 N N . . . . 11.544 . 19.848 . -11.637 . 0.358 -0.294 -0.327 7 . 36816 ALY CB CB CB CB . C . . N 0 . . . 1 N N . . . . 12.935 . 19.885 . -12.249 . -0.377 0.078 -1.615 8 . 36816 ALY CA CA CA CA . C . . S 0 . . . 1 N N . . . . 13.188 . 18.796 . -13.285 . 0.442 -0.381 -2.823 9 . 36816 ALY N N N N . N . . N 0 . . . 1 N N . . . . 14.473 . 19.072 . -13.889 . 1.755 0.276 -2.802 10 . 36816 ALY C C C C . C . . N 0 . . . 1 N N . . . . 12.124 . 18.861 . -14.337 . -0.283 -0.013 -4.092 11 . 36816 ALY O O O O . O . . N 0 . . . 1 N N . . . . 12.100 . 19.891 . -15.140 . -0.079 1.056 -4.616 12 . 36816 ALY OXT OXT OXT OXT . O . . N 0 . . . 1 N Y . . . . 11.219 . 17.899 . -14.413 . -1.155 -0.873 -4.640 13 . 36816 ALY HH31 HH31 HH31 1HH3 . H . . N 0 . . . 0 N N . . . . 11.974 . 22.627 . -5.820 . -0.336 0.194 6.679 14 . 36816 ALY HH32 HH32 HH32 2HH3 . H . . N 0 . . . 0 N N . . . . 10.187 . 22.638 . -6.054 . -0.994 1.541 5.719 15 . 36816 ALY HH33 HH33 HH33 3HH3 . H . . N 0 . . . 0 N N . . . . 10.894 . 21.380 . -5.094 . -1.835 -0.027 5.746 16 . 36816 ALY HZ HZ HZ HNZ . H . . N 0 . . . 1 N N . . . . 12.980 . 21.615 . -7.868 . -1.357 0.683 3.191 17 . 36816 ALY HE3 HE3 HE3 1HCE . H . . N 0 . . . 1 N N . . . . 12.940 . 19.505 . -9.364 . 1.250 0.278 2.183 18 . 36816 ALY HE2 HE2 HE2 2HCE . H . . N 0 . . . 1 N N . . . . 11.345 . 19.211 . -8.876 . 0.409 -1.289 2.209 19 . 36816 ALY HD3 HD3 HD3 1HCD . H . . N 0 . . . 1 N N . . . . 10.459 . 21.178 . -10.271 . -1.435 -0.322 0.864 20 . 36816 ALY HD2 HD2 HD2 2HCD . H . . N 0 . . . 1 N N . . . . 12.028 . 21.724 . -10.608 . -0.594 1.245 0.837 21 . 36816 ALY HG3 HG3 HG3 1HCG . H . . N 0 . . . 1 N N . . . . 11.223 . 18.809 . -11.390 . 1.333 0.192 -0.312 22 . 36816 ALY HG2 HG2 HG2 2HCG . H . . N 0 . . . 1 N N . . . . 10.752 . 20.089 . -12.383 . 0.492 -1.375 -0.285 23 . 36816 ALY HB3 HB3 HB3 1HCB . H . . N 0 . . . 1 N N . . . . 13.145 . 20.891 . -12.680 . -1.352 -0.409 -1.631 24 . 36816 ALY HB2 HB2 HB2 2HCB . H . . N 0 . . . 1 N N . . . . 13.713 . 19.854 . -11.451 . -0.511 1.159 -1.657 25 . 36816 ALY HCA HCA HCA HCA . H . . N 0 . . . 1 N N . . . . 13.175 . 17.784 . -12.815 . 0.575 -1.462 -2.781 26 . 36816 ALY H H H 1HN . H . . N 0 . . . 1 N N . . . . 14.642 . 18.343 . -14.582 . 1.583 1.269 -2.842 27 . 36816 ALY H2 H2 H2 2HN . H . . N 0 . . . 1 N Y . . . . 15.225 . 19.156 . -13.206 . 2.159 0.088 -1.896 28 . 36816 ALY HXT HXT HXT HXT . H . . N 0 . . . 1 N Y . . . . 10.544 . 17.940 . -15.080 . -1.620 -0.637 -5.454 29 . 36816 ALY 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 . DOUB OH CH N N 1 . 36816 ALY 2 . SING CH CH3 N N 2 . 36816 ALY 3 . SING CH NZ N N 3 . 36816 ALY 4 . SING CH3 HH31 N N 4 . 36816 ALY 5 . SING CH3 HH32 N N 5 . 36816 ALY 6 . SING CH3 HH33 N N 6 . 36816 ALY 7 . SING NZ CE N N 7 . 36816 ALY 8 . SING NZ HZ N N 8 . 36816 ALY 9 . SING CE CD N N 9 . 36816 ALY 10 . SING CE HE3 N N 10 . 36816 ALY 11 . SING CE HE2 N N 11 . 36816 ALY 12 . SING CD CG N N 12 . 36816 ALY 13 . SING CD HD3 N N 13 . 36816 ALY 14 . SING CD HD2 N N 14 . 36816 ALY 15 . SING CG CB N N 15 . 36816 ALY 16 . SING CG HG3 N N 16 . 36816 ALY 17 . SING CG HG2 N N 17 . 36816 ALY 18 . SING CB CA N N 18 . 36816 ALY 19 . SING CB HB3 N N 19 . 36816 ALY 20 . SING CB HB2 N N 20 . 36816 ALY 21 . SING CA N N N 21 . 36816 ALY 22 . SING CA C N N 22 . 36816 ALY 23 . SING CA HCA N N 23 . 36816 ALY 24 . SING N H N N 24 . 36816 ALY 25 . SING N H2 N N 25 . 36816 ALY 26 . DOUB C O N N 26 . 36816 ALY 27 . SING C OXT N N 27 . 36816 ALY 28 . SING OXT HXT N N 28 . 36816 ALY stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36816 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 mM sodium chloride, 2.7 mM potassium chloride, 10 mM sodium phosphate, 1.8 mM potassium phosphate, 2 mM DTT, 90% H2O/10% D2O' _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 'Bromodomain-containing protein 9' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein . . . mM . . . . 36816 1 2 'Histone H3.3C' [U-13C] 1 $assembly 2 $entity_2 . peptide . . . mM . . . . 36816 1 3 DTT 'natural abundance' . . . . . 'reducing agent' 2 . . mM . . . . 36816 1 4 'potassium chloride' 'natural abundance' . . . . . salt 2.7 . . mM . . . . 36816 1 5 'sodium chloride' 'natural abundance' . . . . . salt 500 . . mM . . . . 36816 1 6 'potassium phosphate' 'natural abundance' . . . . . buffer 1.8 . . mM . . . . 36816 1 7 'sodium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 36816 1 8 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 36816 1 9 D2O [U-2H] . . . . . solvent 10 . . % . . . . 36816 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36816 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '500 mM sodium chloride, 2.7 mM potassium chloride, 10 mM sodium phosphate, 1.8 mM potassium phosphate, 2 mM DTT, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Bromodomain-containing protein 9' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein . . . mM . . . . 36816 2 2 'Histone H3.3C' [U-13C] 1 $assembly 2 $entity_2 . peptide . . . mM . . . . 36816 2 3 DTT 'natural abundance' . . . . . 'reducing agent' 2 . . mM . . . . 36816 2 4 'potassium chloride' 'natural abundance' . . . . . salt 2.7 . . mM . . . . 36816 2 5 'sodium chloride' 'natural abundance' . . . . . salt 500 . . mM . . . . 36816 2 6 'potassium phosphate' 'natural abundance' . . . . . buffer 1.8 . . mM . . . . 36816 2 7 'sodium phosphate' 'natural abundance' . . . . . buffer 10 . . mM . . . . 36816 2 8 D2O [U-2H] . . . . . solvent 100 . . % . . . . 36816 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 36816 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' . . 'Not defined' 36816 1 pH 7.4 . pH 36816 1 pressure 1 . atm 36816 1 temperature 298 . K 36816 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36816 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 36816 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36816 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36816 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 36816 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36816 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36816 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36816 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36816 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36816 _Software.ID 4 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 36816 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36816 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 36816 _Software.ID 5 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 36816 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 36816 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 36816 _Software.ID 6 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 36816 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 36816 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 36816 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list_1 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list_1 _NMR_spectrometer_list.Entry_ID 36816 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker AVANCE . 800 . . . 36816 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 36816 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36816 1 2 '3D 1H-13C NOESY aliphatic' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36816 1 3 '3D 1H-13C NOESY aromatic' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36816 1 4 '3D filtered-1H-13C NOESY aliphatic' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36816 1 5 '3D filtered-1H-13C NOESY aromatic' . . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36816 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 36816 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water 'methyl carbons' . . . . ppm 25 internal indirect 0.25144 . . . . . 36816 1 H 1 water protons . . . . ppm 4.77 internal direct 1.0 . . . . . 36816 1 N 15 water nitrogen . . . . ppm 118.08 internal indirect 0.101329118 . . . . . 36816 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 36816 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 36816 1 2 '3D 1H-13C NOESY aliphatic' 2 $sample_2 isotropic 36816 1 3 '3D 1H-13C NOESY aromatic' 2 $sample_2 isotropic 36816 1 4 '3D filtered-1H-13C NOESY aliphatic' 2 $sample_2 isotropic 36816 1 5 '3D filtered-1H-13C NOESY aromatic' 2 $sample_2 isotropic 36816 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 3 $software_3 . . 36816 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA HA H 1 4.3700 0.0000 . 1 . . . . A 1 ALA HA . 36816 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.4200 0.0000 . 1 . . . . A 1 ALA HB1 . 36816 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.4200 0.0000 . 1 . . . . A 1 ALA HB2 . 36816 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.4200 0.0000 . 1 . . . . A 1 ALA HB3 . 36816 1 5 . 1 . 1 1 1 ALA CA C 13 52.7400 0.0000 . 1 . . . . A 1 ALA CA . 36816 1 6 . 1 . 1 1 1 ALA CB C 13 19.2900 0.0000 . 1 . . . . A 1 ALA CB . 36816 1 7 . 1 . 1 2 2 GLU H H 1 8.3880 0.0000 . 1 . . . . A 2 GLU H . 36816 1 8 . 1 . 1 2 2 GLU HA H 1 4.2520 0.0000 . 1 . . . . A 2 GLU HA . 36816 1 9 . 1 . 1 2 2 GLU HB2 H 1 1.9450 0.0000 . 2 . . . . A 2 GLU HB2 . 36816 1 10 . 1 . 1 2 2 GLU HB3 H 1 2.0650 0.0000 . 2 . . . . A 2 GLU HB3 . 36816 1 11 . 1 . 1 2 2 GLU HG3 H 1 2.2730 0.0000 . 2 . . . . A 2 GLU HG3 . 36816 1 12 . 1 . 1 2 2 GLU CA C 13 56.9600 0.0000 . 1 . . . . A 2 GLU CA . 36816 1 13 . 1 . 1 2 2 GLU CB C 13 30.1900 0.0000 . 1 . . . . A 2 GLU CB . 36816 1 14 . 1 . 1 2 2 GLU CG C 13 36.2600 0.0000 . 1 . . . . A 2 GLU CG . 36816 1 15 . 1 . 1 2 2 GLU N N 15 119.5950 0.0000 . 1 . . . . A 2 GLU N . 36816 1 16 . 1 . 1 3 3 ASN H H 1 8.3650 0.0000 . 1 . . . . A 3 ASN H . 36816 1 17 . 1 . 1 3 3 ASN HA H 1 4.7200 0.0000 . 1 . . . . A 3 ASN HA . 36816 1 18 . 1 . 1 3 3 ASN HB2 H 1 2.7700 0.0000 . 2 . . . . A 3 ASN HB2 . 36816 1 19 . 1 . 1 3 3 ASN HB3 H 1 2.8570 0.0000 . 2 . . . . A 3 ASN HB3 . 36816 1 20 . 1 . 1 3 3 ASN HD21 H 1 7.6270 0.0000 . 2 . . . . A 3 ASN HD21 . 36816 1 21 . 1 . 1 3 3 ASN HD22 H 1 6.9470 0.0000 . 2 . . . . A 3 ASN HD22 . 36816 1 22 . 1 . 1 3 3 ASN CA C 13 53.3400 0.0000 . 1 . . . . A 3 ASN CA . 36816 1 23 . 1 . 1 3 3 ASN CB C 13 39.2000 0.0000 . 1 . . . . A 3 ASN CB . 36816 1 24 . 1 . 1 3 3 ASN N N 15 118.8700 0.0000 . 1 . . . . A 3 ASN N . 36816 1 25 . 1 . 1 3 3 ASN ND2 N 15 113.2900 0.0000 . 1 . . . . A 3 ASN ND2 . 36816 1 26 . 1 . 1 4 4 GLU H H 1 8.3500 0.0000 . 1 . . . . A 4 GLU H . 36816 1 27 . 1 . 1 4 4 GLU HA H 1 4.3650 0.0000 . 1 . . . . A 4 GLU HA . 36816 1 28 . 1 . 1 4 4 GLU HB2 H 1 1.9620 0.0000 . 2 . . . . A 4 GLU HB2 . 36816 1 29 . 1 . 1 4 4 GLU HB3 H 1 2.0900 0.0000 . 2 . . . . A 4 GLU HB3 . 36816 1 30 . 1 . 1 4 4 GLU HG2 H 1 2.2520 0.0000 . 2 . . . . A 4 GLU HG2 . 36816 1 31 . 1 . 1 4 4 GLU HG3 H 1 2.2970 0.0000 . 2 . . . . A 4 GLU HG3 . 36816 1 32 . 1 . 1 4 4 GLU CA C 13 56.5700 0.0000 . 1 . . . . A 4 GLU CA . 36816 1 33 . 1 . 1 4 4 GLU CB C 13 30.5900 0.0000 . 1 . . . . A 4 GLU CB . 36816 1 34 . 1 . 1 4 4 GLU CG C 13 36.2600 0.0000 . 1 . . . . A 4 GLU CG . 36816 1 35 . 1 . 1 4 4 GLU N N 15 121.4200 0.0000 . 1 . . . . A 4 GLU N . 36816 1 36 . 1 . 1 5 5 SER H H 1 8.3610 0.0000 . 1 . . . . A 5 SER H . 36816 1 37 . 1 . 1 5 5 SER HA H 1 4.6100 0.0000 . 1 . . . . A 5 SER HA . 36816 1 38 . 1 . 1 5 5 SER HB2 H 1 3.8050 0.0000 . 2 . . . . A 5 SER HB2 . 36816 1 39 . 1 . 1 5 5 SER HB3 H 1 3.8580 0.0000 . 2 . . . . A 5 SER HB3 . 36816 1 40 . 1 . 1 5 5 SER CA C 13 58.1300 0.0000 . 1 . . . . A 5 SER CA . 36816 1 41 . 1 . 1 5 5 SER CB C 13 64.0800 0.0000 . 1 . . . . A 5 SER CB . 36816 1 42 . 1 . 1 5 5 SER N N 15 117.5200 0.0000 . 1 . . . . A 5 SER N . 36816 1 43 . 1 . 1 6 6 THR H H 1 8.5830 0.0000 . 1 . . . . A 6 THR H . 36816 1 44 . 1 . 1 6 6 THR HA H 1 4.6500 0.0000 . 1 . . . . A 6 THR HA . 36816 1 45 . 1 . 1 6 6 THR HB H 1 4.4400 0.0000 . 1 . . . . A 6 THR HB . 36816 1 46 . 1 . 1 6 6 THR HG21 H 1 1.3470 0.0000 . 1 . . . . A 6 THR HG21 . 36816 1 47 . 1 . 1 6 6 THR HG22 H 1 1.3470 0.0000 . 1 . . . . A 6 THR HG22 . 36816 1 48 . 1 . 1 6 6 THR HG23 H 1 1.3470 0.0000 . 1 . . . . A 6 THR HG23 . 36816 1 49 . 1 . 1 6 6 THR CA C 13 60.5950 0.0000 . 1 . . . . A 6 THR CA . 36816 1 50 . 1 . 1 6 6 THR CB C 13 69.0830 0.0000 . 1 . . . . A 6 THR CB . 36816 1 51 . 1 . 1 6 6 THR CG2 C 13 21.7740 0.0000 . 1 . . . . A 6 THR CG2 . 36816 1 52 . 1 . 1 6 6 THR N N 15 117.6600 0.0000 . 1 . . . . A 6 THR N . 36816 1 53 . 1 . 1 7 7 PRO HA H 1 4.3000 0.0000 . 1 . . . . A 7 PRO HA . 36816 1 54 . 1 . 1 7 7 PRO HB2 H 1 1.9600 0.0000 . 2 . . . . A 7 PRO HB2 . 36816 1 55 . 1 . 1 7 7 PRO HB3 H 1 2.3800 0.0000 . 2 . . . . A 7 PRO HB3 . 36816 1 56 . 1 . 1 7 7 PRO HD2 H 1 3.8300 0.0000 . 2 . . . . A 7 PRO HD2 . 36816 1 57 . 1 . 1 7 7 PRO HD3 H 1 3.9670 0.0000 . 2 . . . . A 7 PRO HD3 . 36816 1 58 . 1 . 1 7 7 PRO HG2 H 1 2.0100 0.0000 . 2 . . . . A 7 PRO HG2 . 36816 1 59 . 1 . 1 7 7 PRO HG3 H 1 2.1600 0.0000 . 2 . . . . A 7 PRO HG3 . 36816 1 60 . 1 . 1 7 7 PRO CA C 13 65.2000 0.0000 . 1 . . . . A 7 PRO CA . 36816 1 61 . 1 . 1 7 7 PRO CB C 13 31.7200 0.0000 . 1 . . . . A 7 PRO CB . 36816 1 62 . 1 . 1 7 7 PRO CD C 13 50.7500 0.0000 . 1 . . . . A 7 PRO CD . 36816 1 63 . 1 . 1 7 7 PRO CG C 13 27.9700 0.0000 . 1 . . . . A 7 PRO CG . 36816 1 64 . 1 . 1 8 8 ILE H H 1 8.2240 0.0000 . 1 . . . . A 8 ILE H . 36816 1 65 . 1 . 1 8 8 ILE HA H 1 4.0040 0.0000 . 1 . . . . A 8 ILE HA . 36816 1 66 . 1 . 1 8 8 ILE HB H 1 1.9370 0.0000 . 1 . . . . A 8 ILE HB . 36816 1 67 . 1 . 1 8 8 ILE HD11 H 1 0.7750 0.0000 . 1 . . . . A 8 ILE HD11 . 36816 1 68 . 1 . 1 8 8 ILE HD12 H 1 0.7750 0.0000 . 1 . . . . A 8 ILE HD12 . 36816 1 69 . 1 . 1 8 8 ILE HD13 H 1 0.7750 0.0000 . 1 . . . . A 8 ILE HD13 . 36816 1 70 . 1 . 1 8 8 ILE HG12 H 1 1.1900 0.0000 . 1 . . . . A 8 ILE HG12 . 36816 1 71 . 1 . 1 8 8 ILE HG13 H 1 1.3470 0.0000 . 1 . . . . A 8 ILE HG13 . 36816 1 72 . 1 . 1 8 8 ILE HG21 H 1 0.9100 0.0000 . 1 . . . . A 8 ILE HG21 . 36816 1 73 . 1 . 1 8 8 ILE HG22 H 1 0.9100 0.0000 . 1 . . . . A 8 ILE HG22 . 36816 1 74 . 1 . 1 8 8 ILE HG23 H 1 0.9100 0.0000 . 1 . . . . A 8 ILE HG23 . 36816 1 75 . 1 . 1 8 8 ILE CA C 13 62.9800 0.0000 . 1 . . . . A 8 ILE CA . 36816 1 76 . 1 . 1 8 8 ILE CB C 13 37.3100 0.0000 . 1 . . . . A 8 ILE CB . 36816 1 77 . 1 . 1 8 8 ILE CD1 C 13 13.0250 0.0000 . 1 . . . . A 8 ILE CD1 . 36816 1 78 . 1 . 1 8 8 ILE CG1 C 13 29.0500 0.0000 . 1 . . . . A 8 ILE CG1 . 36816 1 79 . 1 . 1 8 8 ILE CG2 C 13 17.3900 0.0000 . 1 . . . . A 8 ILE CG2 . 36816 1 80 . 1 . 1 8 8 ILE N N 15 119.2000 0.0000 . 1 . . . . A 8 ILE N . 36816 1 81 . 1 . 1 9 9 GLN H H 1 7.9240 0.0000 . 1 . . . . A 9 GLN H . 36816 1 82 . 1 . 1 9 9 GLN HA H 1 3.8310 0.0000 . 1 . . . . A 9 GLN HA . 36816 1 83 . 1 . 1 9 9 GLN HB2 H 1 2.0500 0.0000 . 2 . . . . A 9 GLN HB2 . 36816 1 84 . 1 . 1 9 9 GLN HB3 H 1 2.2800 0.0000 . 2 . . . . A 9 GLN HB3 . 36816 1 85 . 1 . 1 9 9 GLN HG2 H 1 2.4190 0.0000 . 2 . . . . A 9 GLN HG2 . 36816 1 86 . 1 . 1 9 9 GLN HG3 H 1 2.4750 0.0000 . 2 . . . . A 9 GLN HG3 . 36816 1 87 . 1 . 1 9 9 GLN CA C 13 60.2600 0.0000 . 1 . . . . A 9 GLN CA . 36816 1 88 . 1 . 1 9 9 GLN CB C 13 29.4600 0.0000 . 1 . . . . A 9 GLN CB . 36816 1 89 . 1 . 1 9 9 GLN CG C 13 35.1700 0.0000 . 1 . . . . A 9 GLN CG . 36816 1 90 . 1 . 1 9 9 GLN N N 15 121.3000 0.0000 . 1 . . . . A 9 GLN N . 36816 1 91 . 1 . 1 10 10 GLN H H 1 7.7500 0.0000 . 1 . . . . A 10 GLN H . 36816 1 92 . 1 . 1 10 10 GLN HA H 1 3.9500 0.0000 . 1 . . . . A 10 GLN HA . 36816 1 93 . 1 . 1 10 10 GLN HB2 H 1 1.9900 0.0000 . 2 . . . . A 10 GLN HB2 . 36816 1 94 . 1 . 1 10 10 GLN HB3 H 1 2.0300 0.0000 . 2 . . . . A 10 GLN HB3 . 36816 1 95 . 1 . 1 10 10 GLN HG2 H 1 2.2900 0.0000 . 2 . . . . A 10 GLN HG2 . 36816 1 96 . 1 . 1 10 10 GLN HG3 H 1 2.4000 0.0000 . 2 . . . . A 10 GLN HG3 . 36816 1 97 . 1 . 1 10 10 GLN CA C 13 58.8900 0.0000 . 1 . . . . A 10 GLN CA . 36816 1 98 . 1 . 1 10 10 GLN CB C 13 28.7300 0.0000 . 1 . . . . A 10 GLN CB . 36816 1 99 . 1 . 1 10 10 GLN CG C 13 34.3400 0.0000 . 1 . . . . A 10 GLN CG . 36816 1 100 . 1 . 1 10 10 GLN N N 15 115.6900 0.0000 . 1 . . . . A 10 GLN N . 36816 1 101 . 1 . 1 11 11 LEU H H 1 7.7000 0.0000 . 1 . . . . A 11 LEU H . 36816 1 102 . 1 . 1 11 11 LEU HA H 1 3.8000 0.0000 . 1 . . . . A 11 LEU HA . 36816 1 103 . 1 . 1 11 11 LEU HB2 H 1 1.3300 0.0000 . 2 . . . . A 11 LEU HB2 . 36816 1 104 . 1 . 1 11 11 LEU HB3 H 1 1.6000 0.0000 . 2 . . . . A 11 LEU HB3 . 36816 1 105 . 1 . 1 11 11 LEU HD11 H 1 0.6800 0.0000 . 2 . . . . A 11 LEU HD11 . 36816 1 106 . 1 . 1 11 11 LEU HD12 H 1 0.6800 0.0000 . 2 . . . . A 11 LEU HD12 . 36816 1 107 . 1 . 1 11 11 LEU HD13 H 1 0.6800 0.0000 . 2 . . . . A 11 LEU HD13 . 36816 1 108 . 1 . 1 11 11 LEU HD21 H 1 0.4800 0.0000 . 2 . . . . A 11 LEU HD21 . 36816 1 109 . 1 . 1 11 11 LEU HD22 H 1 0.4800 0.0000 . 2 . . . . A 11 LEU HD22 . 36816 1 110 . 1 . 1 11 11 LEU HD23 H 1 0.4800 0.0000 . 2 . . . . A 11 LEU HD23 . 36816 1 111 . 1 . 1 11 11 LEU HG H 1 1.6590 0.0000 . 1 . . . . A 11 LEU HG . 36816 1 112 . 1 . 1 11 11 LEU CA C 13 57.5400 0.0000 . 1 . . . . A 11 LEU CA . 36816 1 113 . 1 . 1 11 11 LEU CB C 13 42.0600 0.0000 . 1 . . . . A 11 LEU CB . 36816 1 114 . 1 . 1 11 11 LEU CD1 C 13 26.0500 0.0000 . 1 . . . . A 11 LEU CD1 . 36816 1 115 . 1 . 1 11 11 LEU CD2 C 13 23.0000 0.0000 . 1 . . . . A 11 LEU CD2 . 36816 1 116 . 1 . 1 11 11 LEU CG C 13 26.9690 0.0000 . 1 . . . . A 11 LEU CG . 36816 1 117 . 1 . 1 11 11 LEU N N 15 122.3000 0.0000 . 1 . . . . A 11 LEU N . 36816 1 118 . 1 . 1 12 12 LEU H H 1 8.2700 0.0000 . 1 . . . . A 12 LEU H . 36816 1 119 . 1 . 1 12 12 LEU HA H 1 3.3600 0.0000 . 1 . . . . A 12 LEU HA . 36816 1 120 . 1 . 1 12 12 LEU HB2 H 1 0.6600 0.0000 . 2 . . . . A 12 LEU HB2 . 36816 1 121 . 1 . 1 12 12 LEU HB3 H 1 1.6700 0.0000 . 2 . . . . A 12 LEU HB3 . 36816 1 122 . 1 . 1 12 12 LEU HD11 H 1 0.6720 0.0000 . 2 . . . . A 12 LEU HD11 . 36816 1 123 . 1 . 1 12 12 LEU HD12 H 1 0.6720 0.0000 . 2 . . . . A 12 LEU HD12 . 36816 1 124 . 1 . 1 12 12 LEU HD13 H 1 0.6720 0.0000 . 2 . . . . A 12 LEU HD13 . 36816 1 125 . 1 . 1 12 12 LEU HD21 H 1 0.1850 0.0000 . 2 . . . . A 12 LEU HD21 . 36816 1 126 . 1 . 1 12 12 LEU HD22 H 1 0.1850 0.0000 . 2 . . . . A 12 LEU HD22 . 36816 1 127 . 1 . 1 12 12 LEU HD23 H 1 0.1850 0.0000 . 2 . . . . A 12 LEU HD23 . 36816 1 128 . 1 . 1 12 12 LEU HG H 1 1.9380 0.0000 . 1 . . . . A 12 LEU HG . 36816 1 129 . 1 . 1 12 12 LEU CA C 13 57.6400 0.0000 . 1 . . . . A 12 LEU CA . 36816 1 130 . 1 . 1 12 12 LEU CB C 13 40.2100 0.0000 . 1 . . . . A 12 LEU CB . 36816 1 131 . 1 . 1 12 12 LEU CD1 C 13 26.8400 0.0000 . 1 . . . . A 12 LEU CD1 . 36816 1 132 . 1 . 1 12 12 LEU CD2 C 13 21.4000 0.0000 . 1 . . . . A 12 LEU CD2 . 36816 1 133 . 1 . 1 12 12 LEU CG C 13 25.2300 0.0000 . 1 . . . . A 12 LEU CG . 36816 1 134 . 1 . 1 12 12 LEU N N 15 115.6900 0.0000 . 1 . . . . A 12 LEU N . 36816 1 135 . 1 . 1 13 13 GLU H H 1 8.3660 0.0000 . 1 . . . . A 13 GLU H . 36816 1 136 . 1 . 1 13 13 GLU HA H 1 3.8700 0.0000 . 1 . . . . A 13 GLU HA . 36816 1 137 . 1 . 1 13 13 GLU HB2 H 1 2.0300 0.0000 . 2 . . . . A 13 GLU HB2 . 36816 1 138 . 1 . 1 13 13 GLU HB3 H 1 2.1400 0.0000 . 2 . . . . A 13 GLU HB3 . 36816 1 139 . 1 . 1 13 13 GLU HG2 H 1 2.2200 0.0000 . 2 . . . . A 13 GLU HG2 . 36816 1 140 . 1 . 1 13 13 GLU HG3 H 1 2.4950 0.0000 . 2 . . . . A 13 GLU HG3 . 36816 1 141 . 1 . 1 13 13 GLU CA C 13 60.2600 0.0000 . 1 . . . . A 13 GLU CA . 36816 1 142 . 1 . 1 13 13 GLU CB C 13 29.6200 0.0000 . 1 . . . . A 13 GLU CB . 36816 1 143 . 1 . 1 13 13 GLU CG C 13 37.3500 0.0000 . 1 . . . . A 13 GLU CG . 36816 1 144 . 1 . 1 13 13 GLU N N 15 118.5000 0.0000 . 1 . . . . A 13 GLU N . 36816 1 145 . 1 . 1 14 14 HIS H H 1 7.4680 0.0000 . 1 . . . . A 14 HIS H . 36816 1 146 . 1 . 1 14 14 HIS HA H 1 4.3500 0.0000 . 1 . . . . A 14 HIS HA . 36816 1 147 . 1 . 1 14 14 HIS HB2 H 1 3.0200 0.0000 . 2 . . . . A 14 HIS HB2 . 36816 1 148 . 1 . 1 14 14 HIS HB3 H 1 3.3200 0.0000 . 2 . . . . A 14 HIS HB3 . 36816 1 149 . 1 . 1 14 14 HIS HD2 H 1 6.5980 0.0000 . 1 . . . . A 14 HIS HD2 . 36816 1 150 . 1 . 1 14 14 HIS CA C 13 59.7400 0.0000 . 1 . . . . A 14 HIS CA . 36816 1 151 . 1 . 1 14 14 HIS CB C 13 29.7400 0.0000 . 1 . . . . A 14 HIS CB . 36816 1 152 . 1 . 1 14 14 HIS CD2 C 13 118.9800 0.0000 . 1 . . . . A 14 HIS CD2 . 36816 1 153 . 1 . 1 14 14 HIS N N 15 119.6200 0.0000 . 1 . . . . A 14 HIS N . 36816 1 154 . 1 . 1 15 15 PHE H H 1 8.2600 0.0000 . 1 . . . . A 15 PHE H . 36816 1 155 . 1 . 1 15 15 PHE HA H 1 4.3500 0.0000 . 1 . . . . A 15 PHE HA . 36816 1 156 . 1 . 1 15 15 PHE HB2 H 1 2.9000 0.0000 . 2 . . . . A 15 PHE HB2 . 36816 1 157 . 1 . 1 15 15 PHE HB3 H 1 2.9900 0.0000 . 2 . . . . A 15 PHE HB3 . 36816 1 158 . 1 . 1 15 15 PHE HD1 H 1 7.2100 0.0000 . 3 . . . . A 15 PHE HD1 . 36816 1 159 . 1 . 1 15 15 PHE HD2 H 1 7.2100 0.0000 . 3 . . . . A 15 PHE HD2 . 36816 1 160 . 1 . 1 15 15 PHE HE1 H 1 6.8600 0.0000 . 3 . . . . A 15 PHE HE1 . 36816 1 161 . 1 . 1 15 15 PHE HE2 H 1 6.8600 0.0000 . 3 . . . . A 15 PHE HE2 . 36816 1 162 . 1 . 1 15 15 PHE CA C 13 57.8600 0.0000 . 1 . . . . A 15 PHE CA . 36816 1 163 . 1 . 1 15 15 PHE CB C 13 37.8000 0.0000 . 1 . . . . A 15 PHE CB . 36816 1 164 . 1 . 1 15 15 PHE CD1 C 13 131.1600 0.0000 . 3 . . . . A 15 PHE CD1 . 36816 1 165 . 1 . 1 15 15 PHE CD2 C 13 131.1600 0.0000 . 3 . . . . A 15 PHE CD2 . 36816 1 166 . 1 . 1 15 15 PHE CE1 C 13 129.6500 0.0000 . 3 . . . . A 15 PHE CE1 . 36816 1 167 . 1 . 1 15 15 PHE CE2 C 13 129.6500 0.0000 . 3 . . . . A 15 PHE CE2 . 36816 1 168 . 1 . 1 15 15 PHE N N 15 118.2200 0.0000 . 1 . . . . A 15 PHE N . 36816 1 169 . 1 . 1 16 16 LEU H H 1 8.9730 0.0000 . 1 . . . . A 16 LEU H . 36816 1 170 . 1 . 1 16 16 LEU HA H 1 3.9380 0.0000 . 1 . . . . A 16 LEU HA . 36816 1 171 . 1 . 1 16 16 LEU HB2 H 1 1.6500 0.0000 . 2 . . . . A 16 LEU HB2 . 36816 1 172 . 1 . 1 16 16 LEU HB3 H 1 2.0300 0.0000 . 2 . . . . A 16 LEU HB3 . 36816 1 173 . 1 . 1 16 16 LEU HD11 H 1 1.0400 0.0000 . 2 . . . . A 16 LEU HD11 . 36816 1 174 . 1 . 1 16 16 LEU HD12 H 1 1.0400 0.0000 . 2 . . . . A 16 LEU HD12 . 36816 1 175 . 1 . 1 16 16 LEU HD13 H 1 1.0400 0.0000 . 2 . . . . A 16 LEU HD13 . 36816 1 176 . 1 . 1 16 16 LEU HD21 H 1 1.0700 0.0000 . 2 . . . . A 16 LEU HD21 . 36816 1 177 . 1 . 1 16 16 LEU HD22 H 1 1.0700 0.0000 . 2 . . . . A 16 LEU HD22 . 36816 1 178 . 1 . 1 16 16 LEU HD23 H 1 1.0700 0.0000 . 2 . . . . A 16 LEU HD23 . 36816 1 179 . 1 . 1 16 16 LEU HG H 1 1.6380 0.0000 . 1 . . . . A 16 LEU HG . 36816 1 180 . 1 . 1 16 16 LEU CA C 13 58.9700 0.0000 . 1 . . . . A 16 LEU CA . 36816 1 181 . 1 . 1 16 16 LEU CB C 13 41.7500 0.0000 . 1 . . . . A 16 LEU CB . 36816 1 182 . 1 . 1 16 16 LEU CD1 C 13 26.5900 0.0000 . 1 . . . . A 16 LEU CD1 . 36816 1 183 . 1 . 1 16 16 LEU CD2 C 13 25.5000 0.0000 . 1 . . . . A 16 LEU CD2 . 36816 1 184 . 1 . 1 16 16 LEU CG C 13 26.9400 0.0000 . 1 . . . . A 16 LEU CG . 36816 1 185 . 1 . 1 16 16 LEU N N 15 119.4800 0.0000 . 1 . . . . A 16 LEU N . 36816 1 186 . 1 . 1 17 17 ARG H H 1 8.1370 0.0000 . 1 . . . . A 17 ARG H . 36816 1 187 . 1 . 1 17 17 ARG HA H 1 4.0400 0.0000 . 1 . . . . A 17 ARG HA . 36816 1 188 . 1 . 1 17 17 ARG HB2 H 1 1.8560 0.0000 . 2 . . . . A 17 ARG HB2 . 36816 1 189 . 1 . 1 17 17 ARG HB3 H 1 1.9930 0.0000 . 2 . . . . A 17 ARG HB3 . 36816 1 190 . 1 . 1 17 17 ARG HD2 H 1 3.2040 0.0000 . 2 . . . . A 17 ARG HD2 . 36816 1 191 . 1 . 1 17 17 ARG HD3 H 1 3.2660 0.0000 . 2 . . . . A 17 ARG HD3 . 36816 1 192 . 1 . 1 17 17 ARG HG2 H 1 1.5600 0.0000 . 2 . . . . A 17 ARG HG2 . 36816 1 193 . 1 . 1 17 17 ARG HG3 H 1 1.7950 0.0000 . 2 . . . . A 17 ARG HG3 . 36816 1 194 . 1 . 1 17 17 ARG CA C 13 59.4700 0.0000 . 1 . . . . A 17 ARG CA . 36816 1 195 . 1 . 1 17 17 ARG CB C 13 30.2800 0.0000 . 1 . . . . A 17 ARG CB . 36816 1 196 . 1 . 1 17 17 ARG CD C 13 43.3700 0.0000 . 1 . . . . A 17 ARG CD . 36816 1 197 . 1 . 1 17 17 ARG CG C 13 28.0600 0.0000 . 1 . . . . A 17 ARG CG . 36816 1 198 . 1 . 1 17 17 ARG N N 15 117.8000 0.0000 . 1 . . . . A 17 ARG N . 36816 1 199 . 1 . 1 18 18 GLN H H 1 7.8050 0.0000 . 1 . . . . A 18 GLN H . 36816 1 200 . 1 . 1 18 18 GLN HA H 1 4.1000 0.0000 . 1 . . . . A 18 GLN HA . 36816 1 201 . 1 . 1 18 18 GLN HB2 H 1 2.1100 0.0000 . 2 . . . . A 18 GLN HB2 . 36816 1 202 . 1 . 1 18 18 GLN HB3 H 1 2.1800 0.0000 . 2 . . . . A 18 GLN HB3 . 36816 1 203 . 1 . 1 18 18 GLN HG2 H 1 2.2830 0.0000 . 2 . . . . A 18 GLN HG2 . 36816 1 204 . 1 . 1 18 18 GLN HG3 H 1 2.5960 0.0000 . 2 . . . . A 18 GLN HG3 . 36816 1 205 . 1 . 1 18 18 GLN CA C 13 58.3400 0.0000 . 1 . . . . A 18 GLN CA . 36816 1 206 . 1 . 1 18 18 GLN CB C 13 29.3000 0.0000 . 1 . . . . A 18 GLN CB . 36816 1 207 . 1 . 1 18 18 GLN CG C 13 31.0600 0.0000 . 1 . . . . A 18 GLN CG . 36816 1 208 . 1 . 1 18 18 GLN N N 15 116.3900 0.0000 . 1 . . . . A 18 GLN N . 36816 1 209 . 1 . 1 19 19 LEU H H 1 8.3800 0.0000 . 1 . . . . A 19 LEU H . 36816 1 210 . 1 . 1 19 19 LEU HA H 1 3.9600 0.0000 . 1 . . . . A 19 LEU HA . 36816 1 211 . 1 . 1 19 19 LEU HB2 H 1 1.2700 0.0000 . 2 . . . . A 19 LEU HB2 . 36816 1 212 . 1 . 1 19 19 LEU HB3 H 1 1.8700 0.0000 . 2 . . . . A 19 LEU HB3 . 36816 1 213 . 1 . 1 19 19 LEU HD11 H 1 0.4880 0.0000 . 2 . . . . A 19 LEU HD11 . 36816 1 214 . 1 . 1 19 19 LEU HD12 H 1 0.4880 0.0000 . 2 . . . . A 19 LEU HD12 . 36816 1 215 . 1 . 1 19 19 LEU HD13 H 1 0.4880 0.0000 . 2 . . . . A 19 LEU HD13 . 36816 1 216 . 1 . 1 19 19 LEU HD21 H 1 0.3160 0.0000 . 2 . . . . A 19 LEU HD21 . 36816 1 217 . 1 . 1 19 19 LEU HD22 H 1 0.3160 0.0000 . 2 . . . . A 19 LEU HD22 . 36816 1 218 . 1 . 1 19 19 LEU HD23 H 1 0.3160 0.0000 . 2 . . . . A 19 LEU HD23 . 36816 1 219 . 1 . 1 19 19 LEU HG H 1 1.7700 0.0000 . 1 . . . . A 19 LEU HG . 36816 1 220 . 1 . 1 19 19 LEU CA C 13 57.4100 0.0000 . 1 . . . . A 19 LEU CA . 36816 1 221 . 1 . 1 19 19 LEU CB C 13 42.1600 0.0000 . 1 . . . . A 19 LEU CB . 36816 1 222 . 1 . 1 19 19 LEU CD1 C 13 23.3200 0.0000 . 1 . . . . A 19 LEU CD1 . 36816 1 223 . 1 . 1 19 19 LEU CD2 C 13 24.4000 0.0000 . 1 . . . . A 19 LEU CD2 . 36816 1 224 . 1 . 1 19 19 LEU CG C 13 26.0500 0.0000 . 1 . . . . A 19 LEU CG . 36816 1 225 . 1 . 1 19 19 LEU N N 15 120.3000 0.0000 . 1 . . . . A 19 LEU N . 36816 1 226 . 1 . 1 20 20 GLN H H 1 8.4610 0.0000 . 1 . . . . A 20 GLN H . 36816 1 227 . 1 . 1 20 20 GLN HA H 1 3.6470 0.0000 . 1 . . . . A 20 GLN HA . 36816 1 228 . 1 . 1 20 20 GLN HB2 H 1 1.6940 0.0000 . 2 . . . . A 20 GLN HB2 . 36816 1 229 . 1 . 1 20 20 GLN HB3 H 1 1.7870 0.0000 . 2 . . . . A 20 GLN HB3 . 36816 1 230 . 1 . 1 20 20 GLN HE21 H 1 7.5480 0.0000 . 2 . . . . A 20 GLN HE21 . 36816 1 231 . 1 . 1 20 20 GLN HE22 H 1 6.6990 0.0000 . 2 . . . . A 20 GLN HE22 . 36816 1 232 . 1 . 1 20 20 GLN HG2 H 1 1.3910 0.0000 . 2 . . . . A 20 GLN HG2 . 36816 1 233 . 1 . 1 20 20 GLN HG3 H 1 1.9050 0.0000 . 2 . . . . A 20 GLN HG3 . 36816 1 234 . 1 . 1 20 20 GLN CA C 13 59.8000 0.0000 . 1 . . . . A 20 GLN CA . 36816 1 235 . 1 . 1 20 20 GLN CB C 13 28.6000 0.0000 . 1 . . . . A 20 GLN CB . 36816 1 236 . 1 . 1 20 20 GLN CG C 13 35.0700 0.0000 . 1 . . . . A 20 GLN CG . 36816 1 237 . 1 . 1 20 20 GLN N N 15 117.0990 0.0000 . 1 . . . . A 20 GLN N . 36816 1 238 . 1 . 1 20 20 GLN NE2 N 15 110.2600 0.0000 . 1 . . . . A 20 GLN NE2 . 36816 1 239 . 1 . 1 21 21 ARG H H 1 7.3100 0.0000 . 1 . . . . A 21 ARG H . 36816 1 240 . 1 . 1 21 21 ARG HA H 1 3.9990 0.0000 . 1 . . . . A 21 ARG HA . 36816 1 241 . 1 . 1 21 21 ARG HB2 H 1 1.8710 0.0000 . 2 . . . . A 21 ARG HB2 . 36816 1 242 . 1 . 1 21 21 ARG HB3 H 1 1.9190 0.0000 . 2 . . . . A 21 ARG HB3 . 36816 1 243 . 1 . 1 21 21 ARG HD3 H 1 3.1670 0.0000 . 2 . . . . A 21 ARG HD3 . 36816 1 244 . 1 . 1 21 21 ARG HG2 H 1 1.6860 0.0000 . 2 . . . . A 21 ARG HG2 . 36816 1 245 . 1 . 1 21 21 ARG HG3 H 1 1.8690 0.0000 . 2 . . . . A 21 ARG HG3 . 36816 1 246 . 1 . 1 21 21 ARG CA C 13 58.3600 0.0000 . 1 . . . . A 21 ARG CA . 36816 1 247 . 1 . 1 21 21 ARG CB C 13 30.2100 0.0000 . 1 . . . . A 21 ARG CB . 36816 1 248 . 1 . 1 21 21 ARG CD C 13 43.3000 0.0000 . 1 . . . . A 21 ARG CD . 36816 1 249 . 1 . 1 21 21 ARG CG C 13 27.7800 0.0000 . 1 . . . . A 21 ARG CG . 36816 1 250 . 1 . 1 21 21 ARG N N 15 118.2400 0.0000 . 1 . . . . A 21 ARG N . 36816 1 251 . 1 . 1 22 22 LYS H H 1 7.4280 0.0000 . 1 . . . . A 22 LYS H . 36816 1 252 . 1 . 1 22 22 LYS HA H 1 4.3190 0.0000 . 1 . . . . A 22 LYS HA . 36816 1 253 . 1 . 1 22 22 LYS HB2 H 1 1.5720 0.0000 . 2 . . . . A 22 LYS HB2 . 36816 1 254 . 1 . 1 22 22 LYS HB3 H 1 2.1660 0.0000 . 2 . . . . A 22 LYS HB3 . 36816 1 255 . 1 . 1 22 22 LYS HD2 H 1 1.5500 0.0000 . 2 . . . . A 22 LYS HD2 . 36816 1 256 . 1 . 1 22 22 LYS HD3 H 1 1.7730 0.0000 . 2 . . . . A 22 LYS HD3 . 36816 1 257 . 1 . 1 22 22 LYS HE2 H 1 2.8800 0.0000 . 2 . . . . A 22 LYS HE2 . 36816 1 258 . 1 . 1 22 22 LYS HE3 H 1 2.9000 0.0000 . 2 . . . . A 22 LYS HE3 . 36816 1 259 . 1 . 1 22 22 LYS HG3 H 1 1.5930 0.0000 . 2 . . . . A 22 LYS HG3 . 36816 1 260 . 1 . 1 22 22 LYS CA C 13 55.7500 0.0000 . 1 . . . . A 22 LYS CA . 36816 1 261 . 1 . 1 22 22 LYS CB C 13 32.1800 0.0000 . 1 . . . . A 22 LYS CB . 36816 1 262 . 1 . 1 22 22 LYS CD C 13 28.6000 0.0000 . 1 . . . . A 22 LYS CD . 36816 1 263 . 1 . 1 22 22 LYS CE C 13 41.7300 0.0000 . 1 . . . . A 22 LYS CE . 36816 1 264 . 1 . 1 22 22 LYS CG C 13 25.3200 0.0000 . 1 . . . . A 22 LYS CG . 36816 1 265 . 1 . 1 22 22 LYS N N 15 115.8300 0.0000 . 1 . . . . A 22 LYS N . 36816 1 266 . 1 . 1 23 23 ASP H H 1 7.5000 0.0000 . 1 . . . . A 23 ASP H . 36816 1 267 . 1 . 1 23 23 ASP HA H 1 5.4290 0.0000 . 1 . . . . A 23 ASP HA . 36816 1 268 . 1 . 1 23 23 ASP HB2 H 1 2.5660 0.0000 . 2 . . . . A 23 ASP HB2 . 36816 1 269 . 1 . 1 23 23 ASP HB3 H 1 3.1200 0.0000 . 2 . . . . A 23 ASP HB3 . 36816 1 270 . 1 . 1 23 23 ASP CA C 13 51.2300 0.0000 . 1 . . . . A 23 ASP CA . 36816 1 271 . 1 . 1 23 23 ASP CB C 13 43.1300 0.0000 . 1 . . . . A 23 ASP CB . 36816 1 272 . 1 . 1 23 23 ASP N N 15 116.8000 0.0000 . 1 . . . . A 23 ASP N . 36816 1 273 . 1 . 1 24 24 PRO HA H 1 4.2600 0.0000 . 1 . . . . A 24 PRO HA . 36816 1 274 . 1 . 1 24 24 PRO HB2 H 1 1.5400 0.0000 . 2 . . . . A 24 PRO HB2 . 36816 1 275 . 1 . 1 24 24 PRO HB3 H 1 2.1800 0.0000 . 2 . . . . A 24 PRO HB3 . 36816 1 276 . 1 . 1 24 24 PRO HD2 H 1 3.2410 0.0000 . 2 . . . . A 24 PRO HD2 . 36816 1 277 . 1 . 1 24 24 PRO HD3 H 1 3.8000 0.0000 . 2 . . . . A 24 PRO HD3 . 36816 1 278 . 1 . 1 24 24 PRO HG2 H 1 1.4900 0.0000 . 2 . . . . A 24 PRO HG2 . 36816 1 279 . 1 . 1 24 24 PRO HG3 H 1 1.9300 0.0000 . 2 . . . . A 24 PRO HG3 . 36816 1 280 . 1 . 1 24 24 PRO CA C 13 64.6100 0.0000 . 1 . . . . A 24 PRO CA . 36816 1 281 . 1 . 1 24 24 PRO CB C 13 31.6000 0.0000 . 1 . . . . A 24 PRO CB . 36816 1 282 . 1 . 1 24 24 PRO CD C 13 51.2900 0.0000 . 1 . . . . A 24 PRO CD . 36816 1 283 . 1 . 1 24 24 PRO CG C 13 26.8700 0.0000 . 1 . . . . A 24 PRO CG . 36816 1 284 . 1 . 1 25 25 HIS H H 1 8.9200 0.0000 . 1 . . . . A 25 HIS H . 36816 1 285 . 1 . 1 25 25 HIS HA H 1 4.5580 0.0000 . 1 . . . . A 25 HIS HA . 36816 1 286 . 1 . 1 25 25 HIS HB2 H 1 2.4000 0.0000 . 2 . . . . A 25 HIS HB2 . 36816 1 287 . 1 . 1 25 25 HIS HB3 H 1 2.9090 0.0000 . 2 . . . . A 25 HIS HB3 . 36816 1 288 . 1 . 1 25 25 HIS HD2 H 1 7.0000 0.0000 . 1 . . . . A 25 HIS HD2 . 36816 1 289 . 1 . 1 25 25 HIS CA C 13 55.7400 0.0000 . 1 . . . . A 25 HIS CA . 36816 1 290 . 1 . 1 25 25 HIS CB C 13 29.4500 0.0000 . 1 . . . . A 25 HIS CB . 36816 1 291 . 1 . 1 25 25 HIS CD2 C 13 120.1400 0.0000 . 1 . . . . A 25 HIS CD2 . 36816 1 292 . 1 . 1 25 25 HIS N N 15 116.4700 0.0000 . 1 . . . . A 25 HIS N . 36816 1 293 . 1 . 1 26 26 GLY H H 1 7.9100 0.0000 . 1 . . . . A 26 GLY H . 36816 1 294 . 1 . 1 26 26 GLY HA2 H 1 3.9280 0.0000 . 2 . . . . A 26 GLY HA2 . 36816 1 295 . 1 . 1 26 26 GLY HA3 H 1 4.0820 0.0000 . 2 . . . . A 26 GLY HA3 . 36816 1 296 . 1 . 1 26 26 GLY CA C 13 47.7900 0.0000 . 1 . . . . A 26 GLY CA . 36816 1 297 . 1 . 1 26 26 GLY N N 15 110.3600 0.0000 . 1 . . . . A 26 GLY N . 36816 1 298 . 1 . 1 27 27 PHE H H 1 10.5360 0.0000 . 1 . . . . A 27 PHE H . 36816 1 299 . 1 . 1 27 27 PHE HA H 1 4.4600 0.0000 . 1 . . . . A 27 PHE HA . 36816 1 300 . 1 . 1 27 27 PHE HB2 H 1 2.5200 0.0000 . 2 . . . . A 27 PHE HB2 . 36816 1 301 . 1 . 1 27 27 PHE HB3 H 1 2.6030 0.0000 . 2 . . . . A 27 PHE HB3 . 36816 1 302 . 1 . 1 27 27 PHE HD1 H 1 6.9980 0.0000 . 3 . . . . A 27 PHE HD1 . 36816 1 303 . 1 . 1 27 27 PHE HD2 H 1 6.9980 0.0000 . 3 . . . . A 27 PHE HD2 . 36816 1 304 . 1 . 1 27 27 PHE HE1 H 1 7.1570 0.0000 . 3 . . . . A 27 PHE HE1 . 36816 1 305 . 1 . 1 27 27 PHE HE2 H 1 7.1570 0.0000 . 3 . . . . A 27 PHE HE2 . 36816 1 306 . 1 . 1 27 27 PHE HZ H 1 7.0500 0.0000 . 1 . . . . A 27 PHE HZ . 36816 1 307 . 1 . 1 27 27 PHE CA C 13 59.2000 0.0000 . 1 . . . . A 27 PHE CA . 36816 1 308 . 1 . 1 27 27 PHE CB C 13 37.6000 0.0000 . 1 . . . . A 27 PHE CB . 36816 1 309 . 1 . 1 27 27 PHE CD1 C 13 130.5100 0.0000 . 3 . . . . A 27 PHE CD1 . 36816 1 310 . 1 . 1 27 27 PHE CD2 C 13 130.5100 0.0000 . 3 . . . . A 27 PHE CD2 . 36816 1 311 . 1 . 1 27 27 PHE CE1 C 13 131.2800 0.0000 . 3 . . . . A 27 PHE CE1 . 36816 1 312 . 1 . 1 27 27 PHE CE2 C 13 131.2800 0.0000 . 3 . . . . A 27 PHE CE2 . 36816 1 313 . 1 . 1 27 27 PHE CZ C 13 129.4600 0.0000 . 1 . . . . A 27 PHE CZ . 36816 1 314 . 1 . 1 27 27 PHE N N 15 125.8800 0.0000 . 1 . . . . A 27 PHE N . 36816 1 315 . 1 . 1 28 28 PHE H H 1 10.5800 0.0000 . 1 . . . . A 28 PHE H . 36816 1 316 . 1 . 1 28 28 PHE HA H 1 5.0390 0.0000 . 1 . . . . A 28 PHE HA . 36816 1 317 . 1 . 1 28 28 PHE HB2 H 1 2.6700 0.0000 . 2 . . . . A 28 PHE HB2 . 36816 1 318 . 1 . 1 28 28 PHE HB3 H 1 3.6400 0.0000 . 2 . . . . A 28 PHE HB3 . 36816 1 319 . 1 . 1 28 28 PHE HD1 H 1 7.2500 0.0000 . 3 . . . . A 28 PHE HD1 . 36816 1 320 . 1 . 1 28 28 PHE HD2 H 1 7.2500 0.0000 . 3 . . . . A 28 PHE HD2 . 36816 1 321 . 1 . 1 28 28 PHE HE1 H 1 7.2060 0.0000 . 3 . . . . A 28 PHE HE1 . 36816 1 322 . 1 . 1 28 28 PHE HE2 H 1 7.2060 0.0000 . 3 . . . . A 28 PHE HE2 . 36816 1 323 . 1 . 1 28 28 PHE HZ H 1 7.3300 0.0000 . 1 . . . . A 28 PHE HZ . 36816 1 324 . 1 . 1 28 28 PHE CA C 13 56.9000 0.0000 . 1 . . . . A 28 PHE CA . 36816 1 325 . 1 . 1 28 28 PHE CB C 13 38.9000 0.0000 . 1 . . . . A 28 PHE CB . 36816 1 326 . 1 . 1 28 28 PHE CD1 C 13 131.9100 0.0000 . 3 . . . . A 28 PHE CD1 . 36816 1 327 . 1 . 1 28 28 PHE CD2 C 13 131.9100 0.0000 . 3 . . . . A 28 PHE CD2 . 36816 1 328 . 1 . 1 28 28 PHE CE1 C 13 130.4300 0.0000 . 3 . . . . A 28 PHE CE1 . 36816 1 329 . 1 . 1 28 28 PHE CE2 C 13 130.4300 0.0000 . 3 . . . . A 28 PHE CE2 . 36816 1 330 . 1 . 1 28 28 PHE CZ C 13 127.7100 0.0000 . 1 . . . . A 28 PHE CZ . 36816 1 331 . 1 . 1 28 28 PHE N N 15 119.9000 0.0000 . 1 . . . . A 28 PHE N . 36816 1 332 . 1 . 1 29 29 ALA H H 1 7.0390 0.0000 . 1 . . . . A 29 ALA H . 36816 1 333 . 1 . 1 29 29 ALA HA H 1 4.2150 0.0000 . 1 . . . . A 29 ALA HA . 36816 1 334 . 1 . 1 29 29 ALA HB1 H 1 1.3200 0.0000 . 1 . . . . A 29 ALA HB1 . 36816 1 335 . 1 . 1 29 29 ALA HB2 H 1 1.3200 0.0000 . 1 . . . . A 29 ALA HB2 . 36816 1 336 . 1 . 1 29 29 ALA HB3 H 1 1.3200 0.0000 . 1 . . . . A 29 ALA HB3 . 36816 1 337 . 1 . 1 29 29 ALA CA C 13 55.1890 0.0000 . 1 . . . . A 29 ALA CA . 36816 1 338 . 1 . 1 29 29 ALA CB C 13 20.1330 0.0000 . 1 . . . . A 29 ALA CB . 36816 1 339 . 1 . 1 29 29 ALA N N 15 120.6100 0.0000 . 1 . . . . A 29 ALA N . 36816 1 340 . 1 . 1 30 30 PHE H H 1 7.7300 0.0000 . 1 . . . . A 30 PHE H . 36816 1 341 . 1 . 1 30 30 PHE HA H 1 5.3130 0.0000 . 1 . . . . A 30 PHE HA . 36816 1 342 . 1 . 1 30 30 PHE HB2 H 1 2.7400 0.0000 . 2 . . . . A 30 PHE HB2 . 36816 1 343 . 1 . 1 30 30 PHE HB3 H 1 3.2200 0.0000 . 2 . . . . A 30 PHE HB3 . 36816 1 344 . 1 . 1 30 30 PHE HD1 H 1 7.3400 0.0000 . 3 . . . . A 30 PHE HD1 . 36816 1 345 . 1 . 1 30 30 PHE HD2 H 1 7.3400 0.0000 . 3 . . . . A 30 PHE HD2 . 36816 1 346 . 1 . 1 30 30 PHE HE1 H 1 7.3850 0.0000 . 3 . . . . A 30 PHE HE1 . 36816 1 347 . 1 . 1 30 30 PHE HE2 H 1 7.3850 0.0000 . 3 . . . . A 30 PHE HE2 . 36816 1 348 . 1 . 1 30 30 PHE HZ H 1 7.3200 0.0000 . 1 . . . . A 30 PHE HZ . 36816 1 349 . 1 . 1 30 30 PHE CA C 13 54.3400 0.0000 . 1 . . . . A 30 PHE CA . 36816 1 350 . 1 . 1 30 30 PHE CB C 13 40.2700 0.0000 . 1 . . . . A 30 PHE CB . 36816 1 351 . 1 . 1 30 30 PHE CD1 C 13 132.7900 0.0000 . 3 . . . . A 30 PHE CD1 . 36816 1 352 . 1 . 1 30 30 PHE CD2 C 13 132.7900 0.0000 . 3 . . . . A 30 PHE CD2 . 36816 1 353 . 1 . 1 30 30 PHE CE1 C 13 131.0100 0.0000 . 3 . . . . A 30 PHE CE1 . 36816 1 354 . 1 . 1 30 30 PHE CE2 C 13 131.0100 0.0000 . 3 . . . . A 30 PHE CE2 . 36816 1 355 . 1 . 1 30 30 PHE CZ C 13 129.6500 0.0000 . 1 . . . . A 30 PHE CZ . 36816 1 356 . 1 . 1 30 30 PHE N N 15 113.3400 0.0000 . 1 . . . . A 30 PHE N . 36816 1 357 . 1 . 1 31 31 PRO HA H 1 4.3200 0.0000 . 1 . . . . A 31 PRO HA . 36816 1 358 . 1 . 1 31 31 PRO HB2 H 1 1.6790 0.0000 . 2 . . . . A 31 PRO HB2 . 36816 1 359 . 1 . 1 31 31 PRO HB3 H 1 2.2920 0.0000 . 2 . . . . A 31 PRO HB3 . 36816 1 360 . 1 . 1 31 31 PRO HD2 H 1 3.7100 0.0000 . 2 . . . . A 31 PRO HD2 . 36816 1 361 . 1 . 1 31 31 PRO HD3 H 1 4.0500 0.0000 . 2 . . . . A 31 PRO HD3 . 36816 1 362 . 1 . 1 31 31 PRO HG2 H 1 2.0380 0.0000 . 2 . . . . A 31 PRO HG2 . 36816 1 363 . 1 . 1 31 31 PRO HG3 H 1 2.0980 0.0000 . 2 . . . . A 31 PRO HG3 . 36816 1 364 . 1 . 1 31 31 PRO CA C 13 62.9800 0.0000 . 1 . . . . A 31 PRO CA . 36816 1 365 . 1 . 1 31 31 PRO CB C 13 32.1400 0.0000 . 1 . . . . A 31 PRO CB . 36816 1 366 . 1 . 1 31 31 PRO CD C 13 51.0200 0.0000 . 1 . . . . A 31 PRO CD . 36816 1 367 . 1 . 1 31 31 PRO CG C 13 27.2100 0.0000 . 1 . . . . A 31 PRO CG . 36816 1 368 . 1 . 1 32 32 VAL H H 1 8.5300 0.0000 . 1 . . . . A 32 VAL H . 36816 1 369 . 1 . 1 32 32 VAL HA H 1 3.5350 0.0000 . 1 . . . . A 32 VAL HA . 36816 1 370 . 1 . 1 32 32 VAL HB H 1 1.0300 0.0000 . 1 . . . . A 32 VAL HB . 36816 1 371 . 1 . 1 32 32 VAL HG11 H 1 -0.1600 0.0000 . 2 . . . . A 32 VAL HG11 . 36816 1 372 . 1 . 1 32 32 VAL HG12 H 1 -0.1600 0.0000 . 2 . . . . A 32 VAL HG12 . 36816 1 373 . 1 . 1 32 32 VAL HG13 H 1 -0.1600 0.0000 . 2 . . . . A 32 VAL HG13 . 36816 1 374 . 1 . 1 32 32 VAL HG21 H 1 0.6660 0.0000 . 2 . . . . A 32 VAL HG21 . 36816 1 375 . 1 . 1 32 32 VAL HG22 H 1 0.6660 0.0000 . 2 . . . . A 32 VAL HG22 . 36816 1 376 . 1 . 1 32 32 VAL HG23 H 1 0.6660 0.0000 . 2 . . . . A 32 VAL HG23 . 36816 1 377 . 1 . 1 32 32 VAL CA C 13 63.4500 0.0000 . 1 . . . . A 32 VAL CA . 36816 1 378 . 1 . 1 32 32 VAL CB C 13 32.1000 0.0000 . 1 . . . . A 32 VAL CB . 36816 1 379 . 1 . 1 32 32 VAL CG1 C 13 22.0400 0.0000 . 1 . . . . A 32 VAL CG1 . 36816 1 380 . 1 . 1 32 32 VAL CG2 C 13 21.2200 0.0000 . 1 . . . . A 32 VAL CG2 . 36816 1 381 . 1 . 1 32 32 VAL N N 15 125.5300 0.0000 . 1 . . . . A 32 VAL N . 36816 1 382 . 1 . 1 33 33 THR H H 1 6.6500 0.0000 . 1 . . . . A 33 THR H . 36816 1 383 . 1 . 1 33 33 THR HA H 1 4.6740 0.0000 . 1 . . . . A 33 THR HA . 36816 1 384 . 1 . 1 33 33 THR HB H 1 4.5380 0.0000 . 1 . . . . A 33 THR HB . 36816 1 385 . 1 . 1 33 33 THR HG21 H 1 1.1610 0.0000 . 1 . . . . A 33 THR HG21 . 36816 1 386 . 1 . 1 33 33 THR HG22 H 1 1.1610 0.0000 . 1 . . . . A 33 THR HG22 . 36816 1 387 . 1 . 1 33 33 THR HG23 H 1 1.1610 0.0000 . 1 . . . . A 33 THR HG23 . 36816 1 388 . 1 . 1 33 33 THR CA C 13 58.9270 0.0000 . 1 . . . . A 33 THR CA . 36816 1 389 . 1 . 1 33 33 THR CB C 13 71.8200 0.0000 . 1 . . . . A 33 THR CB . 36816 1 390 . 1 . 1 33 33 THR CG2 C 13 21.2270 0.0000 . 1 . . . . A 33 THR CG2 . 36816 1 391 . 1 . 1 33 33 THR N N 15 114.7000 0.0000 . 1 . . . . A 33 THR N . 36816 1 392 . 1 . 1 34 34 ASP H H 1 8.7140 0.0000 . 1 . . . . A 34 ASP H . 36816 1 393 . 1 . 1 34 34 ASP HA H 1 4.8070 0.0000 . 1 . . . . A 34 ASP HA . 36816 1 394 . 1 . 1 34 34 ASP HB2 H 1 2.5970 0.0000 . 2 . . . . A 34 ASP HB2 . 36816 1 395 . 1 . 1 34 34 ASP HB3 H 1 2.8280 0.0000 . 2 . . . . A 34 ASP HB3 . 36816 1 396 . 1 . 1 34 34 ASP CA C 13 55.8100 0.0000 . 1 . . . . A 34 ASP CA . 36816 1 397 . 1 . 1 34 34 ASP CB C 13 39.9360 0.0000 . 1 . . . . A 34 ASP CB . 36816 1 398 . 1 . 1 34 34 ASP N N 15 121.7000 0.0000 . 1 . . . . A 34 ASP N . 36816 1 399 . 1 . 1 35 35 ALA H H 1 7.6200 0.0000 . 1 . . . . A 35 ALA H . 36816 1 400 . 1 . 1 35 35 ALA HA H 1 4.0800 0.0000 . 1 . . . . A 35 ALA HA . 36816 1 401 . 1 . 1 35 35 ALA HB1 H 1 1.3640 0.0000 . 1 . . . . A 35 ALA HB1 . 36816 1 402 . 1 . 1 35 35 ALA HB2 H 1 1.3640 0.0000 . 1 . . . . A 35 ALA HB2 . 36816 1 403 . 1 . 1 35 35 ALA HB3 H 1 1.3640 0.0000 . 1 . . . . A 35 ALA HB3 . 36816 1 404 . 1 . 1 35 35 ALA CA C 13 54.0330 0.0000 . 1 . . . . A 35 ALA CA . 36816 1 405 . 1 . 1 35 35 ALA CB C 13 18.2200 0.0000 . 1 . . . . A 35 ALA CB . 36816 1 406 . 1 . 1 35 35 ALA N N 15 119.3400 0.0000 . 1 . . . . A 35 ALA N . 36816 1 407 . 1 . 1 36 36 ILE H H 1 7.0500 0.0000 . 1 . . . . A 36 ILE H . 36816 1 408 . 1 . 1 36 36 ILE HA H 1 4.2720 0.0000 . 1 . . . . A 36 ILE HA . 36816 1 409 . 1 . 1 36 36 ILE HB H 1 1.9490 0.0000 . 1 . . . . A 36 ILE HB . 36816 1 410 . 1 . 1 36 36 ILE HD11 H 1 0.9450 0.0000 . 1 . . . . A 36 ILE HD11 . 36816 1 411 . 1 . 1 36 36 ILE HD12 H 1 0.9450 0.0000 . 1 . . . . A 36 ILE HD12 . 36816 1 412 . 1 . 1 36 36 ILE HD13 H 1 0.9450 0.0000 . 1 . . . . A 36 ILE HD13 . 36816 1 413 . 1 . 1 36 36 ILE HG12 H 1 1.2520 0.0000 . 1 . . . . A 36 ILE HG12 . 36816 1 414 . 1 . 1 36 36 ILE HG13 H 1 1.4410 0.0000 . 1 . . . . A 36 ILE HG13 . 36816 1 415 . 1 . 1 36 36 ILE HG21 H 1 0.9100 0.0000 . 1 . . . . A 36 ILE HG21 . 36816 1 416 . 1 . 1 36 36 ILE HG22 H 1 0.9100 0.0000 . 1 . . . . A 36 ILE HG22 . 36816 1 417 . 1 . 1 36 36 ILE HG23 H 1 0.9100 0.0000 . 1 . . . . A 36 ILE HG23 . 36816 1 418 . 1 . 1 36 36 ILE CA C 13 61.0800 0.0000 . 1 . . . . A 36 ILE CA . 36816 1 419 . 1 . 1 36 36 ILE CB C 13 39.4500 0.0000 . 1 . . . . A 36 ILE CB . 36816 1 420 . 1 . 1 36 36 ILE CD1 C 13 13.8400 0.0000 . 1 . . . . A 36 ILE CD1 . 36816 1 421 . 1 . 1 36 36 ILE CG1 C 13 27.2400 0.0000 . 1 . . . . A 36 ILE CG1 . 36816 1 422 . 1 . 1 36 36 ILE CG2 C 13 17.3900 0.0000 . 1 . . . . A 36 ILE CG2 . 36816 1 423 . 1 . 1 36 36 ILE N N 15 112.7200 0.0000 . 1 . . . . A 36 ILE N . 36816 1 424 . 1 . 1 37 37 ALA H H 1 7.8100 0.0000 . 1 . . . . A 37 ALA H . 36816 1 425 . 1 . 1 37 37 ALA HA H 1 4.8700 0.0000 . 1 . . . . A 37 ALA HA . 36816 1 426 . 1 . 1 37 37 ALA HB1 H 1 0.8200 0.0000 . 1 . . . . A 37 ALA HB1 . 36816 1 427 . 1 . 1 37 37 ALA HB2 H 1 0.8200 0.0000 . 1 . . . . A 37 ALA HB2 . 36816 1 428 . 1 . 1 37 37 ALA HB3 H 1 0.8200 0.0000 . 1 . . . . A 37 ALA HB3 . 36816 1 429 . 1 . 1 37 37 ALA CA C 13 49.1120 0.0000 . 1 . . . . A 37 ALA CA . 36816 1 430 . 1 . 1 37 37 ALA CB C 13 19.8600 0.0000 . 1 . . . . A 37 ALA CB . 36816 1 431 . 1 . 1 37 37 ALA N N 15 126.5000 0.0000 . 1 . . . . A 37 ALA N . 36816 1 432 . 1 . 1 38 38 PRO HA H 1 4.5480 0.0000 . 1 . . . . A 38 PRO HA . 36816 1 433 . 1 . 1 38 38 PRO HB2 H 1 1.9490 0.0000 . 2 . . . . A 38 PRO HB2 . 36816 1 434 . 1 . 1 38 38 PRO HB3 H 1 2.3410 0.0000 . 2 . . . . A 38 PRO HB3 . 36816 1 435 . 1 . 1 38 38 PRO HD2 H 1 3.5320 0.0000 . 2 . . . . A 38 PRO HD2 . 36816 1 436 . 1 . 1 38 38 PRO HD3 H 1 3.7320 0.0000 . 2 . . . . A 38 PRO HD3 . 36816 1 437 . 1 . 1 38 38 PRO HG2 H 1 2.0600 0.0000 . 2 . . . . A 38 PRO HG2 . 36816 1 438 . 1 . 1 38 38 PRO HG3 H 1 2.1490 0.0000 . 2 . . . . A 38 PRO HG3 . 36816 1 439 . 1 . 1 38 38 PRO CA C 13 64.1800 0.0000 . 1 . . . . A 38 PRO CA . 36816 1 440 . 1 . 1 38 38 PRO CB C 13 31.5900 0.0000 . 1 . . . . A 38 PRO CB . 36816 1 441 . 1 . 1 38 38 PRO CD C 13 49.9300 0.0000 . 1 . . . . A 38 PRO CD . 36816 1 442 . 1 . 1 38 38 PRO CG C 13 27.7800 0.0000 . 1 . . . . A 38 PRO CG . 36816 1 443 . 1 . 1 39 39 GLY H H 1 9.0800 0.0000 . 1 . . . . A 39 GLY H . 36816 1 444 . 1 . 1 39 39 GLY HA2 H 1 3.9040 0.0000 . 2 . . . . A 39 GLY HA2 . 36816 1 445 . 1 . 1 39 39 GLY HA3 H 1 4.2680 0.0000 . 2 . . . . A 39 GLY HA3 . 36816 1 446 . 1 . 1 39 39 GLY CA C 13 45.9200 0.0000 . 1 . . . . A 39 GLY CA . 36816 1 447 . 1 . 1 39 39 GLY N N 15 114.1400 0.0000 . 1 . . . . A 39 GLY N . 36816 1 448 . 1 . 1 40 40 TYR H H 1 8.4190 0.0000 . 1 . . . . A 40 TYR H . 36816 1 449 . 1 . 1 40 40 TYR HA H 1 3.5800 0.0000 . 1 . . . . A 40 TYR HA . 36816 1 450 . 1 . 1 40 40 TYR HB2 H 1 2.8220 0.0000 . 2 . . . . A 40 TYR HB2 . 36816 1 451 . 1 . 1 40 40 TYR HB3 H 1 3.2790 0.0000 . 2 . . . . A 40 TYR HB3 . 36816 1 452 . 1 . 1 40 40 TYR HD1 H 1 5.8750 0.0000 . 3 . . . . A 40 TYR HD1 . 36816 1 453 . 1 . 1 40 40 TYR HD2 H 1 5.8750 0.0000 . 3 . . . . A 40 TYR HD2 . 36816 1 454 . 1 . 1 40 40 TYR HE1 H 1 6.2060 0.0000 . 3 . . . . A 40 TYR HE1 . 36816 1 455 . 1 . 1 40 40 TYR HE2 H 1 6.2060 0.0000 . 3 . . . . A 40 TYR HE2 . 36816 1 456 . 1 . 1 40 40 TYR CA C 13 63.8600 0.0000 . 1 . . . . A 40 TYR CA . 36816 1 457 . 1 . 1 40 40 TYR CB C 13 38.3300 0.0000 . 1 . . . . A 40 TYR CB . 36816 1 458 . 1 . 1 40 40 TYR CD1 C 13 133.1500 0.0000 . 3 . . . . A 40 TYR CD1 . 36816 1 459 . 1 . 1 40 40 TYR CD2 C 13 133.1500 0.0000 . 3 . . . . A 40 TYR CD2 . 36816 1 460 . 1 . 1 40 40 TYR CE1 C 13 117.4300 0.0000 . 3 . . . . A 40 TYR CE1 . 36816 1 461 . 1 . 1 40 40 TYR CE2 C 13 117.4300 0.0000 . 3 . . . . A 40 TYR CE2 . 36816 1 462 . 1 . 1 40 40 TYR N N 15 125.9500 0.0000 . 1 . . . . A 40 TYR N . 36816 1 463 . 1 . 1 41 41 SER H H 1 9.8800 0.0000 . 1 . . . . A 41 SER H . 36816 1 464 . 1 . 1 41 41 SER HA H 1 4.2700 0.0000 . 1 . . . . A 41 SER HA . 36816 1 465 . 1 . 1 41 41 SER HB2 H 1 3.9710 0.0000 . 2 . . . . A 41 SER HB2 . 36816 1 466 . 1 . 1 41 41 SER HB3 H 1 4.1060 0.0000 . 2 . . . . A 41 SER HB3 . 36816 1 467 . 1 . 1 41 41 SER CA C 13 60.3700 0.0000 . 1 . . . . A 41 SER CA . 36816 1 468 . 1 . 1 41 41 SER CB C 13 62.1800 0.0000 . 1 . . . . A 41 SER CB . 36816 1 469 . 1 . 1 41 41 SER N N 15 112.4500 0.0000 . 1 . . . . A 41 SER N . 36816 1 470 . 1 . 1 42 42 MET H H 1 7.5200 0.0000 . 1 . . . . A 42 MET H . 36816 1 471 . 1 . 1 42 42 MET HA H 1 4.3850 0.0000 . 1 . . . . A 42 MET HA . 36816 1 472 . 1 . 1 42 42 MET HB2 H 1 2.1200 0.0000 . 2 . . . . A 42 MET HB2 . 36816 1 473 . 1 . 1 42 42 MET HB3 H 1 2.1500 0.0000 . 2 . . . . A 42 MET HB3 . 36816 1 474 . 1 . 1 42 42 MET HG2 H 1 2.5400 0.0000 . 2 . . . . A 42 MET HG2 . 36816 1 475 . 1 . 1 42 42 MET HG3 H 1 2.6500 0.0000 . 2 . . . . A 42 MET HG3 . 36816 1 476 . 1 . 1 42 42 MET CA C 13 56.5000 0.0000 . 1 . . . . A 42 MET CA . 36816 1 477 . 1 . 1 42 42 MET CB C 13 32.9400 0.0000 . 1 . . . . A 42 MET CB . 36816 1 478 . 1 . 1 42 42 MET CG C 13 32.1600 0.0000 . 1 . . . . A 42 MET CG . 36816 1 479 . 1 . 1 42 42 MET N N 15 118.9200 0.0000 . 1 . . . . A 42 MET N . 36816 1 480 . 1 . 1 43 43 ILE H H 1 7.4260 0.0000 . 1 . . . . A 43 ILE H . 36816 1 481 . 1 . 1 43 43 ILE HA H 1 4.0600 0.0000 . 1 . . . . A 43 ILE HA . 36816 1 482 . 1 . 1 43 43 ILE HB H 1 1.7260 0.0000 . 1 . . . . A 43 ILE HB . 36816 1 483 . 1 . 1 43 43 ILE HD11 H 1 0.9050 0.0000 . 1 . . . . A 43 ILE HD11 . 36816 1 484 . 1 . 1 43 43 ILE HD12 H 1 0.9050 0.0000 . 1 . . . . A 43 ILE HD12 . 36816 1 485 . 1 . 1 43 43 ILE HD13 H 1 0.9050 0.0000 . 1 . . . . A 43 ILE HD13 . 36816 1 486 . 1 . 1 43 43 ILE HG12 H 1 1.2630 0.0000 . 1 . . . . A 43 ILE HG12 . 36816 1 487 . 1 . 1 43 43 ILE HG13 H 1 1.5920 0.0000 . 1 . . . . A 43 ILE HG13 . 36816 1 488 . 1 . 1 43 43 ILE HG21 H 1 0.9370 0.0000 . 1 . . . . A 43 ILE HG21 . 36816 1 489 . 1 . 1 43 43 ILE HG22 H 1 0.9370 0.0000 . 1 . . . . A 43 ILE HG22 . 36816 1 490 . 1 . 1 43 43 ILE HG23 H 1 0.9370 0.0000 . 1 . . . . A 43 ILE HG23 . 36816 1 491 . 1 . 1 43 43 ILE CA C 13 61.8800 0.0000 . 1 . . . . A 43 ILE CA . 36816 1 492 . 1 . 1 43 43 ILE CB C 13 40.5800 0.0000 . 1 . . . . A 43 ILE CB . 36816 1 493 . 1 . 1 43 43 ILE CD1 C 13 12.4700 0.0000 . 1 . . . . A 43 ILE CD1 . 36816 1 494 . 1 . 1 43 43 ILE CG1 C 13 28.0600 0.0000 . 1 . . . . A 43 ILE CG1 . 36816 1 495 . 1 . 1 43 43 ILE CG2 C 13 17.3900 0.0000 . 1 . . . . A 43 ILE CG2 . 36816 1 496 . 1 . 1 43 43 ILE N N 15 118.3600 0.0000 . 1 . . . . A 43 ILE N . 36816 1 497 . 1 . 1 44 44 ILE H H 1 8.3620 0.0000 . 1 . . . . A 44 ILE H . 36816 1 498 . 1 . 1 44 44 ILE HA H 1 3.9680 0.0000 . 1 . . . . A 44 ILE HA . 36816 1 499 . 1 . 1 44 44 ILE HB H 1 1.2150 0.0000 . 1 . . . . A 44 ILE HB . 36816 1 500 . 1 . 1 44 44 ILE HD11 H 1 0.6460 0.0000 . 1 . . . . A 44 ILE HD11 . 36816 1 501 . 1 . 1 44 44 ILE HD12 H 1 0.6460 0.0000 . 1 . . . . A 44 ILE HD12 . 36816 1 502 . 1 . 1 44 44 ILE HD13 H 1 0.6460 0.0000 . 1 . . . . A 44 ILE HD13 . 36816 1 503 . 1 . 1 44 44 ILE HG12 H 1 0.8280 0.0000 . 1 . . . . A 44 ILE HG12 . 36816 1 504 . 1 . 1 44 44 ILE HG13 H 1 0.9250 0.0000 . 1 . . . . A 44 ILE HG13 . 36816 1 505 . 1 . 1 44 44 ILE HG21 H 1 0.4690 0.0000 . 1 . . . . A 44 ILE HG21 . 36816 1 506 . 1 . 1 44 44 ILE HG22 H 1 0.4690 0.0000 . 1 . . . . A 44 ILE HG22 . 36816 1 507 . 1 . 1 44 44 ILE HG23 H 1 0.4690 0.0000 . 1 . . . . A 44 ILE HG23 . 36816 1 508 . 1 . 1 44 44 ILE CA C 13 57.0300 0.0000 . 1 . . . . A 44 ILE CA . 36816 1 509 . 1 . 1 44 44 ILE CB C 13 34.7600 0.0000 . 1 . . . . A 44 ILE CB . 36816 1 510 . 1 . 1 44 44 ILE CD1 C 13 9.1970 0.0000 . 1 . . . . A 44 ILE CD1 . 36816 1 511 . 1 . 1 44 44 ILE CG2 C 13 16.0300 0.0000 . 1 . . . . A 44 ILE CG2 . 36816 1 512 . 1 . 1 44 44 ILE N N 15 122.5800 0.0000 . 1 . . . . A 44 ILE N . 36816 1 513 . 1 . 1 45 45 LYS H H 1 7.9800 0.0000 . 1 . . . . A 45 LYS H . 36816 1 514 . 1 . 1 45 45 LYS HA H 1 4.0700 0.0000 . 1 . . . . A 45 LYS HA . 36816 1 515 . 1 . 1 45 45 LYS HB3 H 1 1.4540 0.0000 . 2 . . . . A 45 LYS HB3 . 36816 1 516 . 1 . 1 45 45 LYS HD3 H 1 1.5320 0.0000 . 2 . . . . A 45 LYS HD3 . 36816 1 517 . 1 . 1 45 45 LYS HE3 H 1 2.9150 0.0000 . 2 . . . . A 45 LYS HE3 . 36816 1 518 . 1 . 1 45 45 LYS HG2 H 1 1.1960 0.0000 . 2 . . . . A 45 LYS HG2 . 36816 1 519 . 1 . 1 45 45 LYS HG3 H 1 1.3080 0.0000 . 2 . . . . A 45 LYS HG3 . 36816 1 520 . 1 . 1 45 45 LYS CA C 13 56.5600 0.0000 . 1 . . . . A 45 LYS CA . 36816 1 521 . 1 . 1 45 45 LYS CB C 13 32.6800 0.0000 . 1 . . . . A 45 LYS CB . 36816 1 522 . 1 . 1 45 45 LYS CD C 13 28.0600 0.0000 . 1 . . . . A 45 LYS CD . 36816 1 523 . 1 . 1 45 45 LYS CE C 13 42.0000 0.0000 . 1 . . . . A 45 LYS CE . 36816 1 524 . 1 . 1 45 45 LYS CG C 13 24.7800 0.0000 . 1 . . . . A 45 LYS CG . 36816 1 525 . 1 . 1 45 45 LYS N N 15 124.6900 0.0000 . 1 . . . . A 45 LYS N . 36816 1 526 . 1 . 1 46 46 HIS H H 1 8.1580 0.0000 . 1 . . . . A 46 HIS H . 36816 1 527 . 1 . 1 46 46 HIS HA H 1 5.1220 0.0000 . 1 . . . . A 46 HIS HA . 36816 1 528 . 1 . 1 46 46 HIS HB2 H 1 3.1200 0.0000 . 2 . . . . A 46 HIS HB2 . 36816 1 529 . 1 . 1 46 46 HIS HB3 H 1 3.2200 0.0000 . 2 . . . . A 46 HIS HB3 . 36816 1 530 . 1 . 1 46 46 HIS HD2 H 1 7.1000 0.0000 . 1 . . . . A 46 HIS HD2 . 36816 1 531 . 1 . 1 46 46 HIS CA C 13 52.3700 0.0000 . 1 . . . . A 46 HIS CA . 36816 1 532 . 1 . 1 46 46 HIS CB C 13 30.0000 0.0000 . 1 . . . . A 46 HIS CB . 36816 1 533 . 1 . 1 46 46 HIS CD2 C 13 120.7300 0.0000 . 1 . . . . A 46 HIS CD2 . 36816 1 534 . 1 . 1 46 46 HIS N N 15 116.9500 0.0000 . 1 . . . . A 46 HIS N . 36816 1 535 . 1 . 1 47 47 PRO HA H 1 4.1350 0.0000 . 1 . . . . A 47 PRO HA . 36816 1 536 . 1 . 1 47 47 PRO HB2 H 1 2.1400 0.0000 . 2 . . . . A 47 PRO HB2 . 36816 1 537 . 1 . 1 47 47 PRO HB3 H 1 2.3500 0.0000 . 2 . . . . A 47 PRO HB3 . 36816 1 538 . 1 . 1 47 47 PRO HD2 H 1 3.4050 0.0000 . 2 . . . . A 47 PRO HD2 . 36816 1 539 . 1 . 1 47 47 PRO HD3 H 1 3.6820 0.0000 . 2 . . . . A 47 PRO HD3 . 36816 1 540 . 1 . 1 47 47 PRO HG2 H 1 1.9190 0.0000 . 2 . . . . A 47 PRO HG2 . 36816 1 541 . 1 . 1 47 47 PRO HG3 H 1 2.0860 0.0000 . 2 . . . . A 47 PRO HG3 . 36816 1 542 . 1 . 1 47 47 PRO CA C 13 62.8800 0.0000 . 1 . . . . A 47 PRO CA . 36816 1 543 . 1 . 1 47 47 PRO CB C 13 32.8300 0.0000 . 1 . . . . A 47 PRO CB . 36816 1 544 . 1 . 1 47 47 PRO CD C 13 50.4700 0.0000 . 1 . . . . A 47 PRO CD . 36816 1 545 . 1 . 1 47 47 PRO CG C 13 27.5100 0.0000 . 1 . . . . A 47 PRO CG . 36816 1 546 . 1 . 1 48 48 MET H H 1 8.5870 0.0000 . 1 . . . . A 48 MET H . 36816 1 547 . 1 . 1 48 48 MET HA H 1 5.0200 0.0000 . 1 . . . . A 48 MET HA . 36816 1 548 . 1 . 1 48 48 MET HB2 H 1 1.2400 0.0000 . 2 . . . . A 48 MET HB2 . 36816 1 549 . 1 . 1 48 48 MET HB3 H 1 2.1630 0.0000 . 2 . . . . A 48 MET HB3 . 36816 1 550 . 1 . 1 48 48 MET HE1 H 1 2.0600 0.0000 . 1 . . . . A 48 MET HE1 . 36816 1 551 . 1 . 1 48 48 MET HE2 H 1 2.0600 0.0000 . 1 . . . . A 48 MET HE2 . 36816 1 552 . 1 . 1 48 48 MET HE3 H 1 2.0600 0.0000 . 1 . . . . A 48 MET HE3 . 36816 1 553 . 1 . 1 48 48 MET HG2 H 1 2.1200 0.0000 . 2 . . . . A 48 MET HG2 . 36816 1 554 . 1 . 1 48 48 MET HG3 H 1 3.0100 0.0000 . 2 . . . . A 48 MET HG3 . 36816 1 555 . 1 . 1 48 48 MET CA C 13 53.8400 0.0000 . 1 . . . . A 48 MET CA . 36816 1 556 . 1 . 1 48 48 MET CB C 13 31.7500 0.0000 . 1 . . . . A 48 MET CB . 36816 1 557 . 1 . 1 48 48 MET CE C 13 14.1100 0.0000 . 1 . . . . A 48 MET CE . 36816 1 558 . 1 . 1 48 48 MET CG C 13 30.7000 0.0000 . 1 . . . . A 48 MET CG . 36816 1 559 . 1 . 1 48 48 MET N N 15 119.0900 0.0000 . 1 . . . . A 48 MET N . 36816 1 560 . 1 . 1 49 49 ASP H H 1 7.4080 0.0000 . 1 . . . . A 49 ASP H . 36816 1 561 . 1 . 1 49 49 ASP HA H 1 4.8010 0.0000 . 1 . . . . A 49 ASP HA . 36816 1 562 . 1 . 1 49 49 ASP HB3 H 1 2.4040 0.0000 . 2 . . . . A 49 ASP HB3 . 36816 1 563 . 1 . 1 49 49 ASP CA C 13 53.6500 0.0000 . 1 . . . . A 49 ASP CA . 36816 1 564 . 1 . 1 49 49 ASP CB C 13 43.9100 0.0000 . 1 . . . . A 49 ASP CB . 36816 1 565 . 1 . 1 49 49 ASP N N 15 119.3400 0.0000 . 1 . . . . A 49 ASP N . 36816 1 566 . 1 . 1 50 50 PHE H H 1 9.1680 0.0000 . 1 . . . . A 50 PHE H . 36816 1 567 . 1 . 1 50 50 PHE HA H 1 4.7570 0.0000 . 1 . . . . A 50 PHE HA . 36816 1 568 . 1 . 1 50 50 PHE HB2 H 1 3.1020 0.0000 . 2 . . . . A 50 PHE HB2 . 36816 1 569 . 1 . 1 50 50 PHE HB3 H 1 3.1970 0.0000 . 2 . . . . A 50 PHE HB3 . 36816 1 570 . 1 . 1 50 50 PHE HD1 H 1 7.4130 0.0000 . 3 . . . . A 50 PHE HD1 . 36816 1 571 . 1 . 1 50 50 PHE HD2 H 1 7.4130 0.0000 . 3 . . . . A 50 PHE HD2 . 36816 1 572 . 1 . 1 50 50 PHE HE1 H 1 7.3300 0.0000 . 3 . . . . A 50 PHE HE1 . 36816 1 573 . 1 . 1 50 50 PHE HE2 H 1 7.3300 0.0000 . 3 . . . . A 50 PHE HE2 . 36816 1 574 . 1 . 1 50 50 PHE HZ H 1 6.9760 0.0000 . 1 . . . . A 50 PHE HZ . 36816 1 575 . 1 . 1 50 50 PHE CA C 13 60.0700 0.0000 . 1 . . . . A 50 PHE CA . 36816 1 576 . 1 . 1 50 50 PHE CB C 13 39.8500 0.0000 . 1 . . . . A 50 PHE CB . 36816 1 577 . 1 . 1 50 50 PHE CD1 C 13 132.5600 0.0000 . 3 . . . . A 50 PHE CD1 . 36816 1 578 . 1 . 1 50 50 PHE CD2 C 13 132.5600 0.0000 . 3 . . . . A 50 PHE CD2 . 36816 1 579 . 1 . 1 50 50 PHE CE1 C 13 130.6200 0.0000 . 3 . . . . A 50 PHE CE1 . 36816 1 580 . 1 . 1 50 50 PHE CE2 C 13 130.6200 0.0000 . 3 . . . . A 50 PHE CE2 . 36816 1 581 . 1 . 1 50 50 PHE CZ C 13 128.8800 0.0000 . 1 . . . . A 50 PHE CZ . 36816 1 582 . 1 . 1 50 50 PHE N N 15 118.7300 0.0000 . 1 . . . . A 50 PHE N . 36816 1 583 . 1 . 1 51 51 GLY H H 1 8.7790 0.0000 . 1 . . . . A 51 GLY H . 36816 1 584 . 1 . 1 51 51 GLY HA2 H 1 3.9040 0.0000 . 2 . . . . A 51 GLY HA2 . 36816 1 585 . 1 . 1 51 51 GLY HA3 H 1 4.1100 0.0000 . 2 . . . . A 51 GLY HA3 . 36816 1 586 . 1 . 1 51 51 GLY CA C 13 47.8080 0.0000 . 1 . . . . A 51 GLY CA . 36816 1 587 . 1 . 1 51 51 GLY N N 15 112.8400 0.0000 . 1 . . . . A 51 GLY N . 36816 1 588 . 1 . 1 52 52 THR H H 1 8.3620 0.0000 . 1 . . . . A 52 THR H . 36816 1 589 . 1 . 1 52 52 THR HA H 1 4.0160 0.0000 . 1 . . . . A 52 THR HA . 36816 1 590 . 1 . 1 52 52 THR HB H 1 4.3080 0.0000 . 1 . . . . A 52 THR HB . 36816 1 591 . 1 . 1 52 52 THR HG21 H 1 1.2430 0.0000 . 1 . . . . A 52 THR HG21 . 36816 1 592 . 1 . 1 52 52 THR HG22 H 1 1.2430 0.0000 . 1 . . . . A 52 THR HG22 . 36816 1 593 . 1 . 1 52 52 THR HG23 H 1 1.2430 0.0000 . 1 . . . . A 52 THR HG23 . 36816 1 594 . 1 . 1 52 52 THR CA C 13 67.1560 0.0000 . 1 . . . . A 52 THR CA . 36816 1 595 . 1 . 1 52 52 THR CB C 13 68.1350 0.0000 . 1 . . . . A 52 THR CB . 36816 1 596 . 1 . 1 52 52 THR CG2 C 13 22.0470 0.0000 . 1 . . . . A 52 THR CG2 . 36816 1 597 . 1 . 1 52 52 THR N N 15 123.3500 0.0000 . 1 . . . . A 52 THR N . 36816 1 598 . 1 . 1 53 53 MET H H 1 7.8090 0.0000 . 1 . . . . A 53 MET H . 36816 1 599 . 1 . 1 53 53 MET HA H 1 4.4790 0.0000 . 1 . . . . A 53 MET HA . 36816 1 600 . 1 . 1 53 53 MET HB2 H 1 2.4160 0.0000 . 2 . . . . A 53 MET HB2 . 36816 1 601 . 1 . 1 53 53 MET HB3 H 1 2.4670 0.0000 . 2 . . . . A 53 MET HB3 . 36816 1 602 . 1 . 1 53 53 MET HE1 H 1 1.5540 0.0000 . 1 . . . . A 53 MET HE1 . 36816 1 603 . 1 . 1 53 53 MET HE2 H 1 1.5540 0.0000 . 1 . . . . A 53 MET HE2 . 36816 1 604 . 1 . 1 53 53 MET HE3 H 1 1.5540 0.0000 . 1 . . . . A 53 MET HE3 . 36816 1 605 . 1 . 1 53 53 MET HG2 H 1 2.8180 0.0000 . 2 . . . . A 53 MET HG2 . 36816 1 606 . 1 . 1 53 53 MET HG3 H 1 2.8490 0.0000 . 2 . . . . A 53 MET HG3 . 36816 1 607 . 1 . 1 53 53 MET CA C 13 60.3700 0.0000 . 1 . . . . A 53 MET CA . 36816 1 608 . 1 . 1 53 53 MET CB C 13 34.7700 0.0000 . 1 . . . . A 53 MET CB . 36816 1 609 . 1 . 1 53 53 MET CE C 13 17.4000 0.0000 . 1 . . . . A 53 MET CE . 36816 1 610 . 1 . 1 53 53 MET CG C 13 32.9800 0.0000 . 1 . . . . A 53 MET CG . 36816 1 611 . 1 . 1 53 53 MET N N 15 120.5900 0.0000 . 1 . . . . A 53 MET N . 36816 1 612 . 1 . 1 54 54 LYS H H 1 8.5380 0.0000 . 1 . . . . A 54 LYS H . 36816 1 613 . 1 . 1 54 54 LYS HA H 1 4.0000 0.0000 . 1 . . . . A 54 LYS HA . 36816 1 614 . 1 . 1 54 54 LYS HB2 H 1 2.0510 0.0000 . 2 . . . . A 54 LYS HB2 . 36816 1 615 . 1 . 1 54 54 LYS HB3 H 1 2.3450 0.0000 . 2 . . . . A 54 LYS HB3 . 36816 1 616 . 1 . 1 54 54 LYS HD2 H 1 1.7170 0.0000 . 2 . . . . A 54 LYS HD2 . 36816 1 617 . 1 . 1 54 54 LYS HD3 H 1 1.8380 0.0000 . 2 . . . . A 54 LYS HD3 . 36816 1 618 . 1 . 1 54 54 LYS HE2 H 1 2.9650 0.0000 . 2 . . . . A 54 LYS HE2 . 36816 1 619 . 1 . 1 54 54 LYS HE3 H 1 3.0000 0.0000 . 2 . . . . A 54 LYS HE3 . 36816 1 620 . 1 . 1 54 54 LYS HG2 H 1 1.4940 0.0000 . 2 . . . . A 54 LYS HG2 . 36816 1 621 . 1 . 1 54 54 LYS HG3 H 1 1.6080 0.0000 . 2 . . . . A 54 LYS HG3 . 36816 1 622 . 1 . 1 54 54 LYS CA C 13 60.1100 0.0000 . 1 . . . . A 54 LYS CA . 36816 1 623 . 1 . 1 54 54 LYS CB C 13 31.5600 0.0000 . 1 . . . . A 54 LYS CB . 36816 1 624 . 1 . 1 54 54 LYS CD C 13 28.7800 0.0000 . 1 . . . . A 54 LYS CD . 36816 1 625 . 1 . 1 54 54 LYS CE C 13 42.0000 0.0000 . 1 . . . . A 54 LYS CE . 36816 1 626 . 1 . 1 54 54 LYS CG C 13 24.7800 0.0000 . 1 . . . . A 54 LYS CG . 36816 1 627 . 1 . 1 54 54 LYS N N 15 120.1900 0.0000 . 1 . . . . A 54 LYS N . 36816 1 628 . 1 . 1 55 55 ASP H H 1 8.1970 0.0000 . 1 . . . . A 55 ASP H . 36816 1 629 . 1 . 1 55 55 ASP HA H 1 4.4250 0.0000 . 1 . . . . A 55 ASP HA . 36816 1 630 . 1 . 1 55 55 ASP HB2 H 1 2.6790 0.0000 . 2 . . . . A 55 ASP HB2 . 36816 1 631 . 1 . 1 55 55 ASP HB3 H 1 3.0080 0.0000 . 2 . . . . A 55 ASP HB3 . 36816 1 632 . 1 . 1 55 55 ASP CA C 13 57.5900 0.0000 . 1 . . . . A 55 ASP CA . 36816 1 633 . 1 . 1 55 55 ASP CB C 13 40.0300 0.0000 . 1 . . . . A 55 ASP CB . 36816 1 634 . 1 . 1 55 55 ASP N N 15 119.5000 0.0000 . 1 . . . . A 55 ASP N . 36816 1 635 . 1 . 1 56 56 LYS H H 1 8.2720 0.0000 . 1 . . . . A 56 LYS H . 36816 1 636 . 1 . 1 56 56 LYS HA H 1 3.8800 0.0000 . 1 . . . . A 56 LYS HA . 36816 1 637 . 1 . 1 56 56 LYS HB2 H 1 0.8800 0.0000 . 2 . . . . A 56 LYS HB2 . 36816 1 638 . 1 . 1 56 56 LYS HB3 H 1 2.0800 0.0000 . 2 . . . . A 56 LYS HB3 . 36816 1 639 . 1 . 1 56 56 LYS HD2 H 1 1.4400 0.0000 . 2 . . . . A 56 LYS HD2 . 36816 1 640 . 1 . 1 56 56 LYS HD3 H 1 1.6160 0.0000 . 2 . . . . A 56 LYS HD3 . 36816 1 641 . 1 . 1 56 56 LYS HE2 H 1 2.2700 0.0000 . 2 . . . . A 56 LYS HE2 . 36816 1 642 . 1 . 1 56 56 LYS HE3 H 1 2.5100 0.0000 . 2 . . . . A 56 LYS HE3 . 36816 1 643 . 1 . 1 56 56 LYS HG2 H 1 1.0900 0.0000 . 2 . . . . A 56 LYS HG2 . 36816 1 644 . 1 . 1 56 56 LYS HG3 H 1 1.8800 0.0000 . 2 . . . . A 56 LYS HG3 . 36816 1 645 . 1 . 1 56 56 LYS CA C 13 60.6800 0.0000 . 1 . . . . A 56 LYS CA . 36816 1 646 . 1 . 1 56 56 LYS CB C 13 32.5000 0.0000 . 1 . . . . A 56 LYS CB . 36816 1 647 . 1 . 1 56 56 LYS CD C 13 28.7900 0.0000 . 1 . . . . A 56 LYS CD . 36816 1 648 . 1 . 1 56 56 LYS CE C 13 41.3600 0.0000 . 1 . . . . A 56 LYS CE . 36816 1 649 . 1 . 1 56 56 LYS CG C 13 26.6800 0.0000 . 1 . . . . A 56 LYS CG . 36816 1 650 . 1 . 1 56 56 LYS N N 15 121.4500 0.0000 . 1 . . . . A 56 LYS N . 36816 1 651 . 1 . 1 57 57 ILE H H 1 8.4910 0.0000 . 1 . . . . A 57 ILE H . 36816 1 652 . 1 . 1 57 57 ILE HA H 1 4.1300 0.0000 . 1 . . . . A 57 ILE HA . 36816 1 653 . 1 . 1 57 57 ILE HB H 1 2.3400 0.0000 . 1 . . . . A 57 ILE HB . 36816 1 654 . 1 . 1 57 57 ILE HD11 H 1 0.9560 0.0000 . 1 . . . . A 57 ILE HD11 . 36816 1 655 . 1 . 1 57 57 ILE HD12 H 1 0.9560 0.0000 . 1 . . . . A 57 ILE HD12 . 36816 1 656 . 1 . 1 57 57 ILE HD13 H 1 0.9560 0.0000 . 1 . . . . A 57 ILE HD13 . 36816 1 657 . 1 . 1 57 57 ILE HG12 H 1 1.1070 0.0000 . 1 . . . . A 57 ILE HG12 . 36816 1 658 . 1 . 1 57 57 ILE HG13 H 1 2.6800 0.0000 . 1 . . . . A 57 ILE HG13 . 36816 1 659 . 1 . 1 57 57 ILE HG21 H 1 1.1050 0.0000 . 1 . . . . A 57 ILE HG21 . 36816 1 660 . 1 . 1 57 57 ILE HG22 H 1 1.1050 0.0000 . 1 . . . . A 57 ILE HG22 . 36816 1 661 . 1 . 1 57 57 ILE HG23 H 1 1.1050 0.0000 . 1 . . . . A 57 ILE HG23 . 36816 1 662 . 1 . 1 57 57 ILE CA C 13 66.2700 0.0000 . 1 . . . . A 57 ILE CA . 36816 1 663 . 1 . 1 57 57 ILE CB C 13 38.8300 0.0000 . 1 . . . . A 57 ILE CB . 36816 1 664 . 1 . 1 57 57 ILE CD1 C 13 15.4800 0.0000 . 1 . . . . A 57 ILE CD1 . 36816 1 665 . 1 . 1 57 57 ILE CG1 C 13 28.5000 0.0000 . 1 . . . . A 57 ILE CG1 . 36816 1 666 . 1 . 1 57 57 ILE CG2 C 13 18.4900 0.0000 . 1 . . . . A 57 ILE CG2 . 36816 1 667 . 1 . 1 57 57 ILE N N 15 121.0300 0.0000 . 1 . . . . A 57 ILE N . 36816 1 668 . 1 . 1 58 58 VAL H H 1 8.5640 0.0000 . 1 . . . . A 58 VAL H . 36816 1 669 . 1 . 1 58 58 VAL HA H 1 3.7050 0.0000 . 1 . . . . A 58 VAL HA . 36816 1 670 . 1 . 1 58 58 VAL HB H 1 2.2480 0.0000 . 1 . . . . A 58 VAL HB . 36816 1 671 . 1 . 1 58 58 VAL HG11 H 1 1.1740 0.0000 . 2 . . . . A 58 VAL HG11 . 36816 1 672 . 1 . 1 58 58 VAL HG12 H 1 1.1740 0.0000 . 2 . . . . A 58 VAL HG12 . 36816 1 673 . 1 . 1 58 58 VAL HG13 H 1 1.1740 0.0000 . 2 . . . . A 58 VAL HG13 . 36816 1 674 . 1 . 1 58 58 VAL HG21 H 1 1.0130 0.0000 . 2 . . . . A 58 VAL HG21 . 36816 1 675 . 1 . 1 58 58 VAL HG22 H 1 1.0130 0.0000 . 2 . . . . A 58 VAL HG22 . 36816 1 676 . 1 . 1 58 58 VAL HG23 H 1 1.0130 0.0000 . 2 . . . . A 58 VAL HG23 . 36816 1 677 . 1 . 1 58 58 VAL CA C 13 66.2800 0.0000 . 1 . . . . A 58 VAL CA . 36816 1 678 . 1 . 1 58 58 VAL CB C 13 31.8700 0.0000 . 1 . . . . A 58 VAL CB . 36816 1 679 . 1 . 1 58 58 VAL CG1 C 13 22.8670 0.0000 . 1 . . . . A 58 VAL CG1 . 36816 1 680 . 1 . 1 58 58 VAL CG2 C 13 20.9530 0.0000 . 1 . . . . A 58 VAL CG2 . 36816 1 681 . 1 . 1 58 58 VAL N N 15 121.8800 0.0000 . 1 . . . . A 58 VAL N . 36816 1 682 . 1 . 1 59 59 ALA H H 1 7.8700 0.0000 . 1 . . . . A 59 ALA H . 36816 1 683 . 1 . 1 59 59 ALA HA H 1 4.3460 0.0000 . 1 . . . . A 59 ALA HA . 36816 1 684 . 1 . 1 59 59 ALA HB1 H 1 1.4860 0.0000 . 1 . . . . A 59 ALA HB1 . 36816 1 685 . 1 . 1 59 59 ALA HB2 H 1 1.4860 0.0000 . 1 . . . . A 59 ALA HB2 . 36816 1 686 . 1 . 1 59 59 ALA HB3 H 1 1.4860 0.0000 . 1 . . . . A 59 ALA HB3 . 36816 1 687 . 1 . 1 59 59 ALA CA C 13 52.1050 0.0000 . 1 . . . . A 59 ALA CA . 36816 1 688 . 1 . 1 59 59 ALA CB C 13 19.0400 0.0000 . 1 . . . . A 59 ALA CB . 36816 1 689 . 1 . 1 59 59 ALA N N 15 119.6300 0.0000 . 1 . . . . A 59 ALA N . 36816 1 690 . 1 . 1 60 60 ASN H H 1 8.2900 0.0000 . 1 . . . . A 60 ASN H . 36816 1 691 . 1 . 1 60 60 ASN HA H 1 4.6560 0.0000 . 1 . . . . A 60 ASN HA . 36816 1 692 . 1 . 1 60 60 ASN HB2 H 1 2.5890 0.0000 . 2 . . . . A 60 ASN HB2 . 36816 1 693 . 1 . 1 60 60 ASN HB3 H 1 3.3450 0.0000 . 2 . . . . A 60 ASN HB3 . 36816 1 694 . 1 . 1 60 60 ASN HD21 H 1 7.5150 0.0000 . 2 . . . . A 60 ASN HD21 . 36816 1 695 . 1 . 1 60 60 ASN HD22 H 1 6.6160 0.0000 . 2 . . . . A 60 ASN HD22 . 36816 1 696 . 1 . 1 60 60 ASN CA C 13 53.6600 0.0000 . 1 . . . . A 60 ASN CA . 36816 1 697 . 1 . 1 60 60 ASN CB C 13 37.2200 0.0000 . 1 . . . . A 60 ASN CB . 36816 1 698 . 1 . 1 60 60 ASN N N 15 117.4000 0.0000 . 1 . . . . A 60 ASN N . 36816 1 699 . 1 . 1 60 60 ASN ND2 N 15 110.2100 0.0000 . 1 . . . . A 60 ASN ND2 . 36816 1 700 . 1 . 1 61 61 GLU H H 1 8.5300 0.0000 . 1 . . . . A 61 GLU H . 36816 1 701 . 1 . 1 61 61 GLU HA H 1 4.1200 0.0000 . 1 . . . . A 61 GLU HA . 36816 1 702 . 1 . 1 61 61 GLU HB2 H 1 1.4550 0.0000 . 2 . . . . A 61 GLU HB2 . 36816 1 703 . 1 . 1 61 61 GLU HB3 H 1 1.9290 0.0000 . 2 . . . . A 61 GLU HB3 . 36816 1 704 . 1 . 1 61 61 GLU HG2 H 1 2.0690 0.0000 . 2 . . . . A 61 GLU HG2 . 36816 1 705 . 1 . 1 61 61 GLU HG3 H 1 2.1750 0.0000 . 2 . . . . A 61 GLU HG3 . 36816 1 706 . 1 . 1 61 61 GLU CA C 13 57.5500 0.0000 . 1 . . . . A 61 GLU CA . 36816 1 707 . 1 . 1 61 61 GLU CB C 13 30.6400 0.0000 . 1 . . . . A 61 GLU CB . 36816 1 708 . 1 . 1 61 61 GLU CG C 13 37.0800 0.0000 . 1 . . . . A 61 GLU CG . 36816 1 709 . 1 . 1 61 61 GLU N N 15 114.5600 0.0000 . 1 . . . . A 61 GLU N . 36816 1 710 . 1 . 1 62 62 TYR H H 1 7.6300 0.0000 . 1 . . . . A 62 TYR H . 36816 1 711 . 1 . 1 62 62 TYR HA H 1 4.9690 0.0000 . 1 . . . . A 62 TYR HA . 36816 1 712 . 1 . 1 62 62 TYR HB2 H 1 2.8460 0.0000 . 2 . . . . A 62 TYR HB2 . 36816 1 713 . 1 . 1 62 62 TYR HB3 H 1 2.9130 0.0000 . 2 . . . . A 62 TYR HB3 . 36816 1 714 . 1 . 1 62 62 TYR HD1 H 1 7.1200 0.0000 . 3 . . . . A 62 TYR HD1 . 36816 1 715 . 1 . 1 62 62 TYR HD2 H 1 7.1200 0.0000 . 3 . . . . A 62 TYR HD2 . 36816 1 716 . 1 . 1 62 62 TYR HE1 H 1 7.1500 0.0000 . 3 . . . . A 62 TYR HE1 . 36816 1 717 . 1 . 1 62 62 TYR HE2 H 1 7.1500 0.0000 . 3 . . . . A 62 TYR HE2 . 36816 1 718 . 1 . 1 62 62 TYR CA C 13 57.5900 0.0000 . 1 . . . . A 62 TYR CA . 36816 1 719 . 1 . 1 62 62 TYR CB C 13 39.2300 0.0000 . 1 . . . . A 62 TYR CB . 36816 1 720 . 1 . 1 62 62 TYR CD1 C 13 132.5600 0.0000 . 3 . . . . A 62 TYR CD1 . 36816 1 721 . 1 . 1 62 62 TYR CD2 C 13 132.5600 0.0000 . 3 . . . . A 62 TYR CD2 . 36816 1 722 . 1 . 1 62 62 TYR CE1 C 13 118.7800 0.0000 . 3 . . . . A 62 TYR CE1 . 36816 1 723 . 1 . 1 62 62 TYR CE2 C 13 118.7800 0.0000 . 3 . . . . A 62 TYR CE2 . 36816 1 724 . 1 . 1 62 62 TYR N N 15 116.4000 0.0000 . 1 . . . . A 62 TYR N . 36816 1 725 . 1 . 1 63 63 LYS H H 1 9.5600 0.0000 . 1 . . . . A 63 LYS H . 36816 1 726 . 1 . 1 63 63 LYS HA H 1 4.3610 0.0000 . 1 . . . . A 63 LYS HA . 36816 1 727 . 1 . 1 63 63 LYS HB3 H 1 1.9720 0.0000 . 2 . . . . A 63 LYS HB3 . 36816 1 728 . 1 . 1 63 63 LYS HD3 H 1 1.7010 0.0000 . 2 . . . . A 63 LYS HD3 . 36816 1 729 . 1 . 1 63 63 LYS HE3 H 1 3.0600 0.0000 . 2 . . . . A 63 LYS HE3 . 36816 1 730 . 1 . 1 63 63 LYS HG2 H 1 1.5550 0.0000 . 2 . . . . A 63 LYS HG2 . 36816 1 731 . 1 . 1 63 63 LYS HG3 H 1 1.6020 0.0000 . 2 . . . . A 63 LYS HG3 . 36816 1 732 . 1 . 1 63 63 LYS CA C 13 55.9800 0.0000 . 1 . . . . A 63 LYS CA . 36816 1 733 . 1 . 1 63 63 LYS CB C 13 32.7000 0.0000 . 1 . . . . A 63 LYS CB . 36816 1 734 . 1 . 1 63 63 LYS CD C 13 28.3300 0.0000 . 1 . . . . A 63 LYS CD . 36816 1 735 . 1 . 1 63 63 LYS CE C 13 41.7300 0.0000 . 1 . . . . A 63 LYS CE . 36816 1 736 . 1 . 1 63 63 LYS CG C 13 24.7800 0.0000 . 1 . . . . A 63 LYS CG . 36816 1 737 . 1 . 1 63 63 LYS N N 15 122.3000 0.0000 . 1 . . . . A 63 LYS N . 36816 1 738 . 1 . 1 64 64 SER H H 1 7.6700 0.0000 . 1 . . . . A 64 SER H . 36816 1 739 . 1 . 1 64 64 SER HA H 1 4.7300 0.0000 . 1 . . . . A 64 SER HA . 36816 1 740 . 1 . 1 64 64 SER HB2 H 1 3.9650 0.0000 . 2 . . . . A 64 SER HB2 . 36816 1 741 . 1 . 1 64 64 SER HB3 H 1 4.2820 0.0000 . 2 . . . . A 64 SER HB3 . 36816 1 742 . 1 . 1 64 64 SER CA C 13 56.3700 0.0000 . 1 . . . . A 64 SER CA . 36816 1 743 . 1 . 1 64 64 SER CB C 13 66.5400 0.0000 . 1 . . . . A 64 SER CB . 36816 1 744 . 1 . 1 64 64 SER N N 15 109.6400 0.0000 . 1 . . . . A 64 SER N . 36816 1 745 . 1 . 1 65 65 VAL HA H 1 3.7600 0.0000 . 1 . . . . A 65 VAL HA . 36816 1 746 . 1 . 1 65 65 VAL HB H 1 2.2100 0.0000 . 1 . . . . A 65 VAL HB . 36816 1 747 . 1 . 1 65 65 VAL HG11 H 1 1.1290 0.0000 . 2 . . . . A 65 VAL HG11 . 36816 1 748 . 1 . 1 65 65 VAL HG12 H 1 1.1290 0.0000 . 2 . . . . A 65 VAL HG12 . 36816 1 749 . 1 . 1 65 65 VAL HG13 H 1 1.1290 0.0000 . 2 . . . . A 65 VAL HG13 . 36816 1 750 . 1 . 1 65 65 VAL HG21 H 1 1.0680 0.0000 . 2 . . . . A 65 VAL HG21 . 36816 1 751 . 1 . 1 65 65 VAL HG22 H 1 1.0680 0.0000 . 2 . . . . A 65 VAL HG22 . 36816 1 752 . 1 . 1 65 65 VAL HG23 H 1 1.0680 0.0000 . 2 . . . . A 65 VAL HG23 . 36816 1 753 . 1 . 1 65 65 VAL CA C 13 65.6800 0.0000 . 1 . . . . A 65 VAL CA . 36816 1 754 . 1 . 1 65 65 VAL CB C 13 31.7500 0.0000 . 1 . . . . A 65 VAL CB . 36816 1 755 . 1 . 1 65 65 VAL CG1 C 13 23.1400 0.0000 . 1 . . . . A 65 VAL CG1 . 36816 1 756 . 1 . 1 65 65 VAL CG2 C 13 21.5000 0.0000 . 1 . . . . A 65 VAL CG2 . 36816 1 757 . 1 . 1 66 66 THR H H 1 9.2340 0.0000 . 1 . . . . A 66 THR H . 36816 1 758 . 1 . 1 66 66 THR HA H 1 3.7960 0.0000 . 1 . . . . A 66 THR HA . 36816 1 759 . 1 . 1 66 66 THR HB H 1 4.1910 0.0000 . 1 . . . . A 66 THR HB . 36816 1 760 . 1 . 1 66 66 THR HG21 H 1 1.2950 0.0000 . 1 . . . . A 66 THR HG21 . 36816 1 761 . 1 . 1 66 66 THR HG22 H 1 1.2950 0.0000 . 1 . . . . A 66 THR HG22 . 36816 1 762 . 1 . 1 66 66 THR HG23 H 1 1.2950 0.0000 . 1 . . . . A 66 THR HG23 . 36816 1 763 . 1 . 1 66 66 THR CA C 13 67.1300 0.0000 . 1 . . . . A 66 THR CA . 36816 1 764 . 1 . 1 66 66 THR CB C 13 68.6180 0.0000 . 1 . . . . A 66 THR CB . 36816 1 765 . 1 . 1 66 66 THR CG2 C 13 22.0470 0.0000 . 1 . . . . A 66 THR CG2 . 36816 1 766 . 1 . 1 66 66 THR N N 15 121.7300 0.0000 . 1 . . . . A 66 THR N . 36816 1 767 . 1 . 1 67 67 GLU H H 1 7.7200 0.0000 . 1 . . . . A 67 GLU H . 36816 1 768 . 1 . 1 67 67 GLU HA H 1 4.1900 0.0000 . 1 . . . . A 67 GLU HA . 36816 1 769 . 1 . 1 67 67 GLU HB3 H 1 2.4570 0.0000 . 2 . . . . A 67 GLU HB3 . 36816 1 770 . 1 . 1 67 67 GLU HG3 H 1 2.4600 0.0000 . 2 . . . . A 67 GLU HG3 . 36816 1 771 . 1 . 1 67 67 GLU CA C 13 59.5300 0.0000 . 1 . . . . A 67 GLU CA . 36816 1 772 . 1 . 1 67 67 GLU CB C 13 31.3000 0.0000 . 1 . . . . A 67 GLU CB . 36816 1 773 . 1 . 1 67 67 GLU CG C 13 36.8000 0.0000 . 1 . . . . A 67 GLU CG . 36816 1 774 . 1 . 1 67 67 GLU N N 15 121.3200 0.0000 . 1 . . . . A 67 GLU N . 36816 1 775 . 1 . 1 68 68 PHE H H 1 7.0550 0.0000 . 1 . . . . A 68 PHE H . 36816 1 776 . 1 . 1 68 68 PHE HA H 1 3.6950 0.0000 . 1 . . . . A 68 PHE HA . 36816 1 777 . 1 . 1 68 68 PHE HB2 H 1 2.1300 0.0000 . 2 . . . . A 68 PHE HB2 . 36816 1 778 . 1 . 1 68 68 PHE HB3 H 1 3.0160 0.0000 . 2 . . . . A 68 PHE HB3 . 36816 1 779 . 1 . 1 68 68 PHE HD1 H 1 6.7730 0.0000 . 3 . . . . A 68 PHE HD1 . 36816 1 780 . 1 . 1 68 68 PHE HD2 H 1 6.7730 0.0000 . 3 . . . . A 68 PHE HD2 . 36816 1 781 . 1 . 1 68 68 PHE HE1 H 1 7.1100 0.0000 . 3 . . . . A 68 PHE HE1 . 36816 1 782 . 1 . 1 68 68 PHE HE2 H 1 7.1100 0.0000 . 3 . . . . A 68 PHE HE2 . 36816 1 783 . 1 . 1 68 68 PHE HZ H 1 6.8680 0.0000 . 1 . . . . A 68 PHE HZ . 36816 1 784 . 1 . 1 68 68 PHE CA C 13 60.9600 0.0000 . 1 . . . . A 68 PHE CA . 36816 1 785 . 1 . 1 68 68 PHE CB C 13 40.1500 0.0000 . 1 . . . . A 68 PHE CB . 36816 1 786 . 1 . 1 68 68 PHE CD1 C 13 132.3000 0.0000 . 3 . . . . A 68 PHE CD1 . 36816 1 787 . 1 . 1 68 68 PHE CD2 C 13 132.3000 0.0000 . 3 . . . . A 68 PHE CD2 . 36816 1 788 . 1 . 1 68 68 PHE CE1 C 13 131.1400 0.0000 . 3 . . . . A 68 PHE CE1 . 36816 1 789 . 1 . 1 68 68 PHE CE2 C 13 131.1400 0.0000 . 3 . . . . A 68 PHE CE2 . 36816 1 790 . 1 . 1 68 68 PHE CZ C 13 128.8800 0.0000 . 1 . . . . A 68 PHE CZ . 36816 1 791 . 1 . 1 68 68 PHE N N 15 122.1600 0.0000 . 1 . . . . A 68 PHE N . 36816 1 792 . 1 . 1 69 69 LYS H H 1 8.8970 0.0000 . 1 . . . . A 69 LYS H . 36816 1 793 . 1 . 1 69 69 LYS HA H 1 3.5500 0.0000 . 1 . . . . A 69 LYS HA . 36816 1 794 . 1 . 1 69 69 LYS HB3 H 1 1.9160 0.0000 . 2 . . . . A 69 LYS HB3 . 36816 1 795 . 1 . 1 69 69 LYS HD3 H 1 1.4560 0.0000 . 2 . . . . A 69 LYS HD3 . 36816 1 796 . 1 . 1 69 69 LYS HE2 H 1 2.3800 0.0000 . 2 . . . . A 69 LYS HE2 . 36816 1 797 . 1 . 1 69 69 LYS HE3 H 1 2.4700 0.0000 . 2 . . . . A 69 LYS HE3 . 36816 1 798 . 1 . 1 69 69 LYS HG2 H 1 1.1800 0.0000 . 2 . . . . A 69 LYS HG2 . 36816 1 799 . 1 . 1 69 69 LYS HG3 H 1 1.5010 0.0000 . 2 . . . . A 69 LYS HG3 . 36816 1 800 . 1 . 1 69 69 LYS CA C 13 60.3700 0.0000 . 1 . . . . A 69 LYS CA . 36816 1 801 . 1 . 1 69 69 LYS CB C 13 32.6300 0.0000 . 1 . . . . A 69 LYS CB . 36816 1 802 . 1 . 1 69 69 LYS CD C 13 29.8800 0.0000 . 1 . . . . A 69 LYS CD . 36816 1 803 . 1 . 1 69 69 LYS CE C 13 41.3600 0.0000 . 1 . . . . A 69 LYS CE . 36816 1 804 . 1 . 1 69 69 LYS CG C 13 26.0600 0.0000 . 1 . . . . A 69 LYS CG . 36816 1 805 . 1 . 1 69 69 LYS N N 15 119.3500 0.0000 . 1 . . . . A 69 LYS N . 36816 1 806 . 1 . 1 70 70 ALA H H 1 7.8300 0.0000 . 1 . . . . A 70 ALA H . 36816 1 807 . 1 . 1 70 70 ALA HA H 1 4.2070 0.0000 . 1 . . . . A 70 ALA HA . 36816 1 808 . 1 . 1 70 70 ALA HB1 H 1 1.5700 0.0000 . 1 . . . . A 70 ALA HB1 . 36816 1 809 . 1 . 1 70 70 ALA HB2 H 1 1.5700 0.0000 . 1 . . . . A 70 ALA HB2 . 36816 1 810 . 1 . 1 70 70 ALA HB3 H 1 1.5700 0.0000 . 1 . . . . A 70 ALA HB3 . 36816 1 811 . 1 . 1 70 70 ALA CA C 13 54.9900 0.0000 . 1 . . . . A 70 ALA CA . 36816 1 812 . 1 . 1 70 70 ALA CB C 13 17.9460 0.0000 . 1 . . . . A 70 ALA CB . 36816 1 813 . 1 . 1 70 70 ALA N N 15 119.9100 0.0000 . 1 . . . . A 70 ALA N . 36816 1 814 . 1 . 1 71 71 ASP H H 1 7.3500 0.0000 . 1 . . . . A 71 ASP H . 36816 1 815 . 1 . 1 71 71 ASP HA H 1 4.6400 0.0000 . 1 . . . . A 71 ASP HA . 36816 1 816 . 1 . 1 71 71 ASP HB3 H 1 2.8500 0.0000 . 2 . . . . A 71 ASP HB3 . 36816 1 817 . 1 . 1 71 71 ASP CA C 13 57.2100 0.0000 . 1 . . . . A 71 ASP CA . 36816 1 818 . 1 . 1 71 71 ASP CB C 13 39.4400 0.0000 . 1 . . . . A 71 ASP CB . 36816 1 819 . 1 . 1 71 71 ASP N N 15 121.5900 0.0000 . 1 . . . . A 71 ASP N . 36816 1 820 . 1 . 1 72 72 PHE H H 1 8.0800 0.0000 . 1 . . . . A 72 PHE H . 36816 1 821 . 1 . 1 72 72 PHE HA H 1 3.9450 0.0000 . 1 . . . . A 72 PHE HA . 36816 1 822 . 1 . 1 72 72 PHE HB2 H 1 2.5100 0.0000 . 2 . . . . A 72 PHE HB2 . 36816 1 823 . 1 . 1 72 72 PHE HB3 H 1 2.8300 0.0000 . 2 . . . . A 72 PHE HB3 . 36816 1 824 . 1 . 1 72 72 PHE HD1 H 1 6.8800 0.0000 . 3 . . . . A 72 PHE HD1 . 36816 1 825 . 1 . 1 72 72 PHE HD2 H 1 6.8800 0.0000 . 3 . . . . A 72 PHE HD2 . 36816 1 826 . 1 . 1 72 72 PHE HE1 H 1 7.3300 0.0000 . 3 . . . . A 72 PHE HE1 . 36816 1 827 . 1 . 1 72 72 PHE HE2 H 1 7.3300 0.0000 . 3 . . . . A 72 PHE HE2 . 36816 1 828 . 1 . 1 72 72 PHE HZ H 1 7.1700 0.0000 . 1 . . . . A 72 PHE HZ . 36816 1 829 . 1 . 1 72 72 PHE CA C 13 60.7300 0.0000 . 1 . . . . A 72 PHE CA . 36816 1 830 . 1 . 1 72 72 PHE CB C 13 39.0000 0.0000 . 1 . . . . A 72 PHE CB . 36816 1 831 . 1 . 1 72 72 PHE CD1 C 13 131.3600 0.0000 . 3 . . . . A 72 PHE CD1 . 36816 1 832 . 1 . 1 72 72 PHE CD2 C 13 131.3600 0.0000 . 3 . . . . A 72 PHE CD2 . 36816 1 833 . 1 . 1 72 72 PHE CE1 C 13 130.8200 0.0000 . 3 . . . . A 72 PHE CE1 . 36816 1 834 . 1 . 1 72 72 PHE CE2 C 13 130.8200 0.0000 . 3 . . . . A 72 PHE CE2 . 36816 1 835 . 1 . 1 72 72 PHE CZ C 13 130.9300 0.0000 . 1 . . . . A 72 PHE CZ . 36816 1 836 . 1 . 1 72 72 PHE N N 15 121.1000 0.0000 . 1 . . . . A 72 PHE N . 36816 1 837 . 1 . 1 73 73 LYS H H 1 8.7990 0.0000 . 1 . . . . A 73 LYS H . 36816 1 838 . 1 . 1 73 73 LYS HA H 1 3.3880 0.0000 . 1 . . . . A 73 LYS HA . 36816 1 839 . 1 . 1 73 73 LYS HB2 H 1 1.8500 0.0000 . 2 . . . . A 73 LYS HB2 . 36816 1 840 . 1 . 1 73 73 LYS HB3 H 1 1.9500 0.0000 . 2 . . . . A 73 LYS HB3 . 36816 1 841 . 1 . 1 73 73 LYS HD2 H 1 1.5880 0.0000 . 2 . . . . A 73 LYS HD2 . 36816 1 842 . 1 . 1 73 73 LYS HD3 H 1 1.6580 0.0000 . 2 . . . . A 73 LYS HD3 . 36816 1 843 . 1 . 1 73 73 LYS HE2 H 1 2.9200 0.0000 . 2 . . . . A 73 LYS HE2 . 36816 1 844 . 1 . 1 73 73 LYS HE3 H 1 3.0200 0.0000 . 2 . . . . A 73 LYS HE3 . 36816 1 845 . 1 . 1 73 73 LYS HG2 H 1 1.2020 0.0000 . 2 . . . . A 73 LYS HG2 . 36816 1 846 . 1 . 1 73 73 LYS HG3 H 1 1.4840 0.0000 . 2 . . . . A 73 LYS HG3 . 36816 1 847 . 1 . 1 73 73 LYS CA C 13 59.7000 0.0000 . 1 . . . . A 73 LYS CA . 36816 1 848 . 1 . 1 73 73 LYS CB C 13 32.8600 0.0000 . 1 . . . . A 73 LYS CB . 36816 1 849 . 1 . 1 73 73 LYS CD C 13 29.3300 0.0000 . 1 . . . . A 73 LYS CD . 36816 1 850 . 1 . 1 73 73 LYS CE C 13 42.1800 0.0000 . 1 . . . . A 73 LYS CE . 36816 1 851 . 1 . 1 73 73 LYS CG C 13 24.9600 0.0000 . 1 . . . . A 73 LYS CG . 36816 1 852 . 1 . 1 73 73 LYS N N 15 120.2000 0.0000 . 1 . . . . A 73 LYS N . 36816 1 853 . 1 . 1 74 74 LEU H H 1 7.7460 0.0000 . 1 . . . . A 74 LEU H . 36816 1 854 . 1 . 1 74 74 LEU HA H 1 4.1230 0.0000 . 1 . . . . A 74 LEU HA . 36816 1 855 . 1 . 1 74 74 LEU HB2 H 1 1.6050 0.0000 . 2 . . . . A 74 LEU HB2 . 36816 1 856 . 1 . 1 74 74 LEU HB3 H 1 2.1650 0.0000 . 2 . . . . A 74 LEU HB3 . 36816 1 857 . 1 . 1 74 74 LEU HD11 H 1 0.8610 0.0000 . 2 . . . . A 74 LEU HD11 . 36816 1 858 . 1 . 1 74 74 LEU HD12 H 1 0.8610 0.0000 . 2 . . . . A 74 LEU HD12 . 36816 1 859 . 1 . 1 74 74 LEU HD13 H 1 0.8610 0.0000 . 2 . . . . A 74 LEU HD13 . 36816 1 860 . 1 . 1 74 74 LEU HD21 H 1 1.0640 0.0000 . 2 . . . . A 74 LEU HD21 . 36816 1 861 . 1 . 1 74 74 LEU HD22 H 1 1.0640 0.0000 . 2 . . . . A 74 LEU HD22 . 36816 1 862 . 1 . 1 74 74 LEU HD23 H 1 1.0640 0.0000 . 2 . . . . A 74 LEU HD23 . 36816 1 863 . 1 . 1 74 74 LEU HG H 1 1.4430 0.0000 . 1 . . . . A 74 LEU HG . 36816 1 864 . 1 . 1 74 74 LEU CA C 13 57.9400 0.0000 . 1 . . . . A 74 LEU CA . 36816 1 865 . 1 . 1 74 74 LEU CB C 13 42.6800 0.0000 . 1 . . . . A 74 LEU CB . 36816 1 866 . 1 . 1 74 74 LEU CD1 C 13 25.8700 0.0000 . 1 . . . . A 74 LEU CD1 . 36816 1 867 . 1 . 1 74 74 LEU CD2 C 13 23.1400 0.0000 . 1 . . . . A 74 LEU CD2 . 36816 1 868 . 1 . 1 74 74 LEU CG C 13 27.5100 0.0000 . 1 . . . . A 74 LEU CG . 36816 1 869 . 1 . 1 74 74 LEU N N 15 120.3300 0.0000 . 1 . . . . A 74 LEU N . 36816 1 870 . 1 . 1 75 75 MET H H 1 7.8200 0.0000 . 1 . . . . A 75 MET H . 36816 1 871 . 1 . 1 75 75 MET HA H 1 3.6100 0.0000 . 1 . . . . A 75 MET HA . 36816 1 872 . 1 . 1 75 75 MET HB2 H 1 1.4800 0.0000 . 2 . . . . A 75 MET HB2 . 36816 1 873 . 1 . 1 75 75 MET HB3 H 1 2.1800 0.0000 . 2 . . . . A 75 MET HB3 . 36816 1 874 . 1 . 1 75 75 MET HE1 H 1 0.8910 0.0000 . 1 . . . . A 75 MET HE1 . 36816 1 875 . 1 . 1 75 75 MET HE2 H 1 0.8910 0.0000 . 1 . . . . A 75 MET HE2 . 36816 1 876 . 1 . 1 75 75 MET HE3 H 1 0.8910 0.0000 . 1 . . . . A 75 MET HE3 . 36816 1 877 . 1 . 1 75 75 MET HG2 H 1 1.6300 0.0000 . 2 . . . . A 75 MET HG2 . 36816 1 878 . 1 . 1 75 75 MET HG3 H 1 2.3900 0.0000 . 2 . . . . A 75 MET HG3 . 36816 1 879 . 1 . 1 75 75 MET CA C 13 60.0300 0.0000 . 1 . . . . A 75 MET CA . 36816 1 880 . 1 . 1 75 75 MET CB C 13 34.1500 0.0000 . 1 . . . . A 75 MET CB . 36816 1 881 . 1 . 1 75 75 MET CE C 13 17.4000 0.0000 . 1 . . . . A 75 MET CE . 36816 1 882 . 1 . 1 75 75 MET CG C 13 31.2500 0.0000 . 1 . . . . A 75 MET CG . 36816 1 883 . 1 . 1 75 75 MET N N 15 116.5300 0.0000 . 1 . . . . A 75 MET N . 36816 1 884 . 1 . 1 76 76 CYS H H 1 7.3300 0.0000 . 1 . . . . A 76 CYS H . 36816 1 885 . 1 . 1 76 76 CYS HA H 1 3.6800 0.0000 . 1 . . . . A 76 CYS HA . 36816 1 886 . 1 . 1 76 76 CYS HB2 H 1 2.1660 0.0000 . 2 . . . . A 76 CYS HB2 . 36816 1 887 . 1 . 1 76 76 CYS HB3 H 1 2.5630 0.0000 . 2 . . . . A 76 CYS HB3 . 36816 1 888 . 1 . 1 76 76 CYS CA C 13 63.9000 0.0000 . 1 . . . . A 76 CYS CA . 36816 1 889 . 1 . 1 76 76 CYS CB C 13 27.7000 0.0000 . 1 . . . . A 76 CYS CB . 36816 1 890 . 1 . 1 76 76 CYS N N 15 118.7800 0.0000 . 1 . . . . A 76 CYS N . 36816 1 891 . 1 . 1 77 77 ASP H H 1 9.4600 0.0000 . 1 . . . . A 77 ASP H . 36816 1 892 . 1 . 1 77 77 ASP HA H 1 4.1950 0.0000 . 1 . . . . A 77 ASP HA . 36816 1 893 . 1 . 1 77 77 ASP HB2 H 1 2.5030 0.0000 . 2 . . . . A 77 ASP HB2 . 36816 1 894 . 1 . 1 77 77 ASP HB3 H 1 2.7400 0.0000 . 2 . . . . A 77 ASP HB3 . 36816 1 895 . 1 . 1 77 77 ASP CA C 13 57.5800 0.0000 . 1 . . . . A 77 ASP CA . 36816 1 896 . 1 . 1 77 77 ASP CB C 13 39.5430 0.0000 . 1 . . . . A 77 ASP CB . 36816 1 897 . 1 . 1 77 77 ASP N N 15 123.0000 0.0000 . 1 . . . . A 77 ASP N . 36816 1 898 . 1 . 1 78 78 ASN H H 1 9.0800 0.0000 . 1 . . . . A 78 ASN H . 36816 1 899 . 1 . 1 78 78 ASN HA H 1 4.3300 0.0000 . 1 . . . . A 78 ASN HA . 36816 1 900 . 1 . 1 78 78 ASN HB2 H 1 2.6800 0.0000 . 2 . . . . A 78 ASN HB2 . 36816 1 901 . 1 . 1 78 78 ASN HB3 H 1 3.0700 0.0000 . 2 . . . . A 78 ASN HB3 . 36816 1 902 . 1 . 1 78 78 ASN CA C 13 55.3100 0.0000 . 1 . . . . A 78 ASN CA . 36816 1 903 . 1 . 1 78 78 ASN CB C 13 37.9500 0.0000 . 1 . . . . A 78 ASN CB . 36816 1 904 . 1 . 1 78 78 ASN N N 15 120.7000 0.0000 . 1 . . . . A 78 ASN N . 36816 1 905 . 1 . 1 79 79 ALA H H 1 7.3300 0.0000 . 1 . . . . A 79 ALA H . 36816 1 906 . 1 . 1 79 79 ALA HA H 1 4.5020 0.0000 . 1 . . . . A 79 ALA HA . 36816 1 907 . 1 . 1 79 79 ALA HB1 H 1 1.6740 0.0000 . 1 . . . . A 79 ALA HB1 . 36816 1 908 . 1 . 1 79 79 ALA HB2 H 1 1.6740 0.0000 . 1 . . . . A 79 ALA HB2 . 36816 1 909 . 1 . 1 79 79 ALA HB3 H 1 1.6740 0.0000 . 1 . . . . A 79 ALA HB3 . 36816 1 910 . 1 . 1 79 79 ALA CA C 13 54.9800 0.0000 . 1 . . . . A 79 ALA CA . 36816 1 911 . 1 . 1 79 79 ALA CB C 13 18.7660 0.0000 . 1 . . . . A 79 ALA CB . 36816 1 912 . 1 . 1 79 79 ALA N N 15 122.1700 0.0000 . 1 . . . . A 79 ALA N . 36816 1 913 . 1 . 1 80 80 MET H H 1 7.9900 0.0000 . 1 . . . . A 80 MET H . 36816 1 914 . 1 . 1 80 80 MET HA H 1 4.3290 0.0000 . 1 . . . . A 80 MET HA . 36816 1 915 . 1 . 1 80 80 MET HB2 H 1 1.9500 0.0000 . 2 . . . . A 80 MET HB2 . 36816 1 916 . 1 . 1 80 80 MET HB3 H 1 2.0800 0.0000 . 2 . . . . A 80 MET HB3 . 36816 1 917 . 1 . 1 80 80 MET HE1 H 1 1.7850 0.0000 . 1 . . . . A 80 MET HE1 . 36816 1 918 . 1 . 1 80 80 MET HE2 H 1 1.7850 0.0000 . 1 . . . . A 80 MET HE2 . 36816 1 919 . 1 . 1 80 80 MET HE3 H 1 1.7850 0.0000 . 1 . . . . A 80 MET HE3 . 36816 1 920 . 1 . 1 80 80 MET HG2 H 1 1.2700 0.0000 . 2 . . . . A 80 MET HG2 . 36816 1 921 . 1 . 1 80 80 MET HG3 H 1 2.3300 0.0000 . 2 . . . . A 80 MET HG3 . 36816 1 922 . 1 . 1 80 80 MET CA C 13 57.4400 0.0000 . 1 . . . . A 80 MET CA . 36816 1 923 . 1 . 1 80 80 MET CB C 13 33.7700 0.0000 . 1 . . . . A 80 MET CB . 36816 1 924 . 1 . 1 80 80 MET CE C 13 16.5790 0.0000 . 1 . . . . A 80 MET CE . 36816 1 925 . 1 . 1 80 80 MET CG C 13 32.3400 0.0000 . 1 . . . . A 80 MET CG . 36816 1 926 . 1 . 1 80 80 MET N N 15 116.5300 0.0000 . 1 . . . . A 80 MET N . 36816 1 927 . 1 . 1 81 81 THR H H 1 7.9620 0.0000 . 1 . . . . A 81 THR H . 36816 1 928 . 1 . 1 81 81 THR HA H 1 4.2610 0.0000 . 1 . . . . A 81 THR HA . 36816 1 929 . 1 . 1 81 81 THR HB H 1 4.2680 0.0000 . 1 . . . . A 81 THR HB . 36816 1 930 . 1 . 1 81 81 THR HG21 H 1 1.1450 0.0000 . 1 . . . . A 81 THR HG21 . 36816 1 931 . 1 . 1 81 81 THR HG22 H 1 1.1450 0.0000 . 1 . . . . A 81 THR HG22 . 36816 1 932 . 1 . 1 81 81 THR HG23 H 1 1.1450 0.0000 . 1 . . . . A 81 THR HG23 . 36816 1 933 . 1 . 1 81 81 THR CA C 13 65.0790 0.0000 . 1 . . . . A 81 THR CA . 36816 1 934 . 1 . 1 81 81 THR CB C 13 69.0040 0.0000 . 1 . . . . A 81 THR CB . 36816 1 935 . 1 . 1 81 81 THR CG2 C 13 20.6800 0.0000 . 1 . . . . A 81 THR CG2 . 36816 1 936 . 1 . 1 81 81 THR N N 15 116.4700 0.0000 . 1 . . . . A 81 THR N . 36816 1 937 . 1 . 1 82 82 TYR H H 1 8.2620 0.0000 . 1 . . . . A 82 TYR H . 36816 1 938 . 1 . 1 82 82 TYR HA H 1 4.0600 0.0000 . 1 . . . . A 82 TYR HA . 36816 1 939 . 1 . 1 82 82 TYR HB2 H 1 2.8200 0.0000 . 2 . . . . A 82 TYR HB2 . 36816 1 940 . 1 . 1 82 82 TYR HB3 H 1 2.8500 0.0000 . 2 . . . . A 82 TYR HB3 . 36816 1 941 . 1 . 1 82 82 TYR HD1 H 1 6.8800 0.0000 . 3 . . . . A 82 TYR HD1 . 36816 1 942 . 1 . 1 82 82 TYR HD2 H 1 6.8800 0.0000 . 3 . . . . A 82 TYR HD2 . 36816 1 943 . 1 . 1 82 82 TYR HE1 H 1 6.6650 0.0000 . 3 . . . . A 82 TYR HE1 . 36816 1 944 . 1 . 1 82 82 TYR HE2 H 1 6.7650 0.0000 . 3 . . . . A 82 TYR HE2 . 36816 1 945 . 1 . 1 82 82 TYR CA C 13 61.5400 0.0000 . 1 . . . . A 82 TYR CA . 36816 1 946 . 1 . 1 82 82 TYR CB C 13 40.3600 0.0000 . 1 . . . . A 82 TYR CB . 36816 1 947 . 1 . 1 82 82 TYR CD1 C 13 133.2000 0.0000 . 3 . . . . A 82 TYR CD1 . 36816 1 948 . 1 . 1 82 82 TYR CD2 C 13 133.2000 0.0000 . 3 . . . . A 82 TYR CD2 . 36816 1 949 . 1 . 1 82 82 TYR CE1 C 13 118.2000 0.0000 . 3 . . . . A 82 TYR CE1 . 36816 1 950 . 1 . 1 82 82 TYR CE2 C 13 118.2000 0.0000 . 3 . . . . A 82 TYR CE2 . 36816 1 951 . 1 . 1 82 82 TYR N N 15 118.6400 0.0000 . 1 . . . . A 82 TYR N . 36816 1 952 . 1 . 1 83 83 ASN H H 1 7.3600 0.0000 . 1 . . . . A 83 ASN H . 36816 1 953 . 1 . 1 83 83 ASN HA H 1 4.7130 0.0000 . 1 . . . . A 83 ASN HA . 36816 1 954 . 1 . 1 83 83 ASN HB2 H 1 3.0100 0.0000 . 2 . . . . A 83 ASN HB2 . 36816 1 955 . 1 . 1 83 83 ASN HB3 H 1 3.2020 0.0000 . 2 . . . . A 83 ASN HB3 . 36816 1 956 . 1 . 1 83 83 ASN CA C 13 52.7300 0.0000 . 1 . . . . A 83 ASN CA . 36816 1 957 . 1 . 1 83 83 ASN CB C 13 41.2800 0.0000 . 1 . . . . A 83 ASN CB . 36816 1 958 . 1 . 1 83 83 ASN N N 15 113.2000 0.0000 . 1 . . . . A 83 ASN N . 36816 1 959 . 1 . 1 84 84 ARG H H 1 8.6500 0.0000 . 1 . . . . A 84 ARG H . 36816 1 960 . 1 . 1 84 84 ARG HA H 1 4.4060 0.0000 . 1 . . . . A 84 ARG HA . 36816 1 961 . 1 . 1 84 84 ARG HB2 H 1 1.8210 0.0000 . 2 . . . . A 84 ARG HB2 . 36816 1 962 . 1 . 1 84 84 ARG HB3 H 1 1.9870 0.0000 . 2 . . . . A 84 ARG HB3 . 36816 1 963 . 1 . 1 84 84 ARG HD3 H 1 3.2680 0.0000 . 2 . . . . A 84 ARG HD3 . 36816 1 964 . 1 . 1 84 84 ARG HG2 H 1 1.7620 0.0000 . 2 . . . . A 84 ARG HG2 . 36816 1 965 . 1 . 1 84 84 ARG HG3 H 1 1.8630 0.0000 . 2 . . . . A 84 ARG HG3 . 36816 1 966 . 1 . 1 84 84 ARG CA C 13 54.9900 0.0000 . 1 . . . . A 84 ARG CA . 36816 1 967 . 1 . 1 84 84 ARG CB C 13 29.8200 0.0000 . 1 . . . . A 84 ARG CB . 36816 1 968 . 1 . 1 84 84 ARG CD C 13 43.0900 0.0000 . 1 . . . . A 84 ARG CD . 36816 1 969 . 1 . 1 84 84 ARG CG C 13 27.5000 0.0000 . 1 . . . . A 84 ARG CG . 36816 1 970 . 1 . 1 84 84 ARG N N 15 119.6300 0.0000 . 1 . . . . A 84 ARG N . 36816 1 971 . 1 . 1 85 85 PRO HA H 1 2.7190 0.0000 . 1 . . . . A 85 PRO HA . 36816 1 972 . 1 . 1 85 85 PRO HB3 H 1 1.5720 0.0000 . 2 . . . . A 85 PRO HB3 . 36816 1 973 . 1 . 1 85 85 PRO HD2 H 1 3.5130 0.0000 . 2 . . . . A 85 PRO HD2 . 36816 1 974 . 1 . 1 85 85 PRO HD3 H 1 3.7320 0.0000 . 2 . . . . A 85 PRO HD3 . 36816 1 975 . 1 . 1 85 85 PRO HG2 H 1 1.5650 0.0000 . 2 . . . . A 85 PRO HG2 . 36816 1 976 . 1 . 1 85 85 PRO HG3 H 1 1.9150 0.0000 . 2 . . . . A 85 PRO HG3 . 36816 1 977 . 1 . 1 85 85 PRO CA C 13 63.8900 0.0000 . 1 . . . . A 85 PRO CA . 36816 1 978 . 1 . 1 85 85 PRO CB C 13 31.7100 0.0000 . 1 . . . . A 85 PRO CB . 36816 1 979 . 1 . 1 85 85 PRO CD C 13 50.4700 0.0000 . 1 . . . . A 85 PRO CD . 36816 1 980 . 1 . 1 85 85 PRO CG C 13 27.5000 0.0000 . 1 . . . . A 85 PRO CG . 36816 1 981 . 1 . 1 86 86 ASP H H 1 7.8140 0.0000 . 1 . . . . A 86 ASP H . 36816 1 982 . 1 . 1 86 86 ASP HA H 1 4.5600 0.0000 . 1 . . . . A 86 ASP HA . 36816 1 983 . 1 . 1 86 86 ASP HB2 H 1 2.5880 0.0000 . 2 . . . . A 86 ASP HB2 . 36816 1 984 . 1 . 1 86 86 ASP HB3 H 1 2.7990 0.0000 . 2 . . . . A 86 ASP HB3 . 36816 1 985 . 1 . 1 86 86 ASP CA C 13 53.6500 0.0000 . 1 . . . . A 86 ASP CA . 36816 1 986 . 1 . 1 86 86 ASP CB C 13 39.8400 0.0000 . 1 . . . . A 86 ASP CB . 36816 1 987 . 1 . 1 86 86 ASP N N 15 112.6600 0.0000 . 1 . . . . A 86 ASP N . 36816 1 988 . 1 . 1 87 87 THR H H 1 7.8200 0.0000 . 1 . . . . A 87 THR H . 36816 1 989 . 1 . 1 87 87 THR HA H 1 4.6150 0.0000 . 1 . . . . A 87 THR HA . 36816 1 990 . 1 . 1 87 87 THR HB H 1 4.5680 0.0000 . 1 . . . . A 87 THR HB . 36816 1 991 . 1 . 1 87 87 THR HG1 H 1 5.4500 0.0000 . 1 . . . . A 87 THR HG1 . 36816 1 992 . 1 . 1 87 87 THR HG21 H 1 1.5080 0.0000 . 1 . . . . A 87 THR HG21 . 36816 1 993 . 1 . 1 87 87 THR HG22 H 1 1.5080 0.0000 . 1 . . . . A 87 THR HG22 . 36816 1 994 . 1 . 1 87 87 THR HG23 H 1 1.5080 0.0000 . 1 . . . . A 87 THR HG23 . 36816 1 995 . 1 . 1 87 87 THR CA C 13 60.9810 0.0000 . 1 . . . . A 87 THR CA . 36816 1 996 . 1 . 1 87 87 THR CB C 13 73.7820 0.0000 . 1 . . . . A 87 THR CB . 36816 1 997 . 1 . 1 87 87 THR CG2 C 13 22.5940 0.0000 . 1 . . . . A 87 THR CG2 . 36816 1 998 . 1 . 1 87 87 THR N N 15 109.6400 0.0000 . 1 . . . . A 87 THR N . 36816 1 999 . 1 . 1 88 88 VAL H H 1 8.6600 0.0000 . 1 . . . . A 88 VAL H . 36816 1 1000 . 1 . 1 88 88 VAL HA H 1 3.8160 0.0000 . 1 . . . . A 88 VAL HA . 36816 1 1001 . 1 . 1 88 88 VAL HB H 1 1.9150 0.0000 . 1 . . . . A 88 VAL HB . 36816 1 1002 . 1 . 1 88 88 VAL HG11 H 1 0.6880 0.0000 . 2 . . . . A 88 VAL HG11 . 36816 1 1003 . 1 . 1 88 88 VAL HG12 H 1 0.6880 0.0000 . 2 . . . . A 88 VAL HG12 . 36816 1 1004 . 1 . 1 88 88 VAL HG13 H 1 0.6880 0.0000 . 2 . . . . A 88 VAL HG13 . 36816 1 1005 . 1 . 1 88 88 VAL HG21 H 1 0.6610 0.0000 . 2 . . . . A 88 VAL HG21 . 36816 1 1006 . 1 . 1 88 88 VAL HG22 H 1 0.6610 0.0000 . 2 . . . . A 88 VAL HG22 . 36816 1 1007 . 1 . 1 88 88 VAL HG23 H 1 0.6610 0.0000 . 2 . . . . A 88 VAL HG23 . 36816 1 1008 . 1 . 1 88 88 VAL CA C 13 65.3600 0.0000 . 1 . . . . A 88 VAL CA . 36816 1 1009 . 1 . 1 88 88 VAL CB C 13 31.6150 0.0000 . 1 . . . . A 88 VAL CB . 36816 1 1010 . 1 . 1 88 88 VAL CG1 C 13 20.0800 0.0000 . 1 . . . . A 88 VAL CG1 . 36816 1 1011 . 1 . 1 88 88 VAL CG2 C 13 20.6800 0.0000 . 1 . . . . A 88 VAL CG2 . 36816 1 1012 . 1 . 1 88 88 VAL N N 15 119.4900 0.0000 . 1 . . . . A 88 VAL N . 36816 1 1013 . 1 . 1 89 89 TYR HA H 1 3.9390 0.0000 . 1 . . . . A 89 TYR HA . 36816 1 1014 . 1 . 1 89 89 TYR HB2 H 1 2.5300 0.0000 . 2 . . . . A 89 TYR HB2 . 36816 1 1015 . 1 . 1 89 89 TYR HB3 H 1 3.0400 0.0000 . 2 . . . . A 89 TYR HB3 . 36816 1 1016 . 1 . 1 89 89 TYR HD1 H 1 6.6680 0.0000 . 3 . . . . A 89 TYR HD1 . 36816 1 1017 . 1 . 1 89 89 TYR HD2 H 1 6.6680 0.0000 . 3 . . . . A 89 TYR HD2 . 36816 1 1018 . 1 . 1 89 89 TYR HE1 H 1 6.4200 0.0000 . 3 . . . . A 89 TYR HE1 . 36816 1 1019 . 1 . 1 89 89 TYR HE2 H 1 6.4200 0.0000 . 3 . . . . A 89 TYR HE2 . 36816 1 1020 . 1 . 1 89 89 TYR CA C 13 60.5500 0.0000 . 1 . . . . A 89 TYR CA . 36816 1 1021 . 1 . 1 89 89 TYR CB C 13 39.4100 0.0000 . 1 . . . . A 89 TYR CB . 36816 1 1022 . 1 . 1 89 89 TYR CD1 C 13 132.1800 0.0000 . 3 . . . . A 89 TYR CD1 . 36816 1 1023 . 1 . 1 89 89 TYR CD2 C 13 132.1800 0.0000 . 3 . . . . A 89 TYR CD2 . 36816 1 1024 . 1 . 1 89 89 TYR CE1 C 13 118.7800 0.0000 . 3 . . . . A 89 TYR CE1 . 36816 1 1025 . 1 . 1 89 89 TYR CE2 C 13 118.7800 0.0000 . 3 . . . . A 89 TYR CE2 . 36816 1 1026 . 1 . 1 90 90 TYR H H 1 7.4700 0.0000 . 1 . . . . A 90 TYR H . 36816 1 1027 . 1 . 1 90 90 TYR HA H 1 3.7590 0.0000 . 1 . . . . A 90 TYR HA . 36816 1 1028 . 1 . 1 90 90 TYR HB2 H 1 2.6200 0.0000 . 2 . . . . A 90 TYR HB2 . 36816 1 1029 . 1 . 1 90 90 TYR HB3 H 1 3.2200 0.0000 . 2 . . . . A 90 TYR HB3 . 36816 1 1030 . 1 . 1 90 90 TYR HD1 H 1 7.1580 0.0000 . 3 . . . . A 90 TYR HD1 . 36816 1 1031 . 1 . 1 90 90 TYR HD2 H 1 7.1580 0.0000 . 3 . . . . A 90 TYR HD2 . 36816 1 1032 . 1 . 1 90 90 TYR HE1 H 1 7.0000 0.0000 . 3 . . . . A 90 TYR HE1 . 36816 1 1033 . 1 . 1 90 90 TYR HE2 H 1 7.0000 0.0000 . 3 . . . . A 90 TYR HE2 . 36816 1 1034 . 1 . 1 90 90 TYR CA C 13 61.8300 0.0000 . 1 . . . . A 90 TYR CA . 36816 1 1035 . 1 . 1 90 90 TYR CB C 13 40.1400 0.0000 . 1 . . . . A 90 TYR CB . 36816 1 1036 . 1 . 1 90 90 TYR CD1 C 13 134.7000 0.0000 . 3 . . . . A 90 TYR CD1 . 36816 1 1037 . 1 . 1 90 90 TYR CD2 C 13 134.7000 0.0000 . 3 . . . . A 90 TYR CD2 . 36816 1 1038 . 1 . 1 90 90 TYR CE1 C 13 118.2000 0.0000 . 3 . . . . A 90 TYR CE1 . 36816 1 1039 . 1 . 1 90 90 TYR CE2 C 13 118.2000 0.0000 . 3 . . . . A 90 TYR CE2 . 36816 1 1040 . 1 . 1 90 90 TYR N N 15 118.3600 0.0000 . 1 . . . . A 90 TYR N . 36816 1 1041 . 1 . 1 91 91 LYS H H 1 8.0450 0.0000 . 1 . . . . A 91 LYS H . 36816 1 1042 . 1 . 1 91 91 LYS HA H 1 3.9900 0.0000 . 1 . . . . A 91 LYS HA . 36816 1 1043 . 1 . 1 91 91 LYS HB2 H 1 1.9150 0.0000 . 2 . . . . A 91 LYS HB2 . 36816 1 1044 . 1 . 1 91 91 LYS HB3 H 1 2.0200 0.0000 . 2 . . . . A 91 LYS HB3 . 36816 1 1045 . 1 . 1 91 91 LYS HD2 H 1 1.6320 0.0000 . 2 . . . . A 91 LYS HD2 . 36816 1 1046 . 1 . 1 91 91 LYS HD3 H 1 1.7850 0.0000 . 2 . . . . A 91 LYS HD3 . 36816 1 1047 . 1 . 1 91 91 LYS HE3 H 1 2.9770 0.0000 . 2 . . . . A 91 LYS HE3 . 36816 1 1048 . 1 . 1 91 91 LYS HG2 H 1 1.5040 0.0000 . 2 . . . . A 91 LYS HG2 . 36816 1 1049 . 1 . 1 91 91 LYS HG3 H 1 1.6090 0.0000 . 2 . . . . A 91 LYS HG3 . 36816 1 1050 . 1 . 1 91 91 LYS CA C 13 60.4400 0.0000 . 1 . . . . A 91 LYS CA . 36816 1 1051 . 1 . 1 91 91 LYS CB C 13 33.0500 0.0000 . 1 . . . . A 91 LYS CB . 36816 1 1052 . 1 . 1 91 91 LYS CD C 13 29.7000 0.0000 . 1 . . . . A 91 LYS CD . 36816 1 1053 . 1 . 1 91 91 LYS CE C 13 41.7300 0.0000 . 1 . . . . A 91 LYS CE . 36816 1 1054 . 1 . 1 91 91 LYS CG C 13 24.7800 0.0000 . 1 . . . . A 91 LYS CG . 36816 1 1055 . 1 . 1 91 91 LYS N N 15 116.2500 0.0000 . 1 . . . . A 91 LYS N . 36816 1 1056 . 1 . 1 92 92 LEU H H 1 8.6530 0.0000 . 1 . . . . A 92 LEU H . 36816 1 1057 . 1 . 1 92 92 LEU HA H 1 4.4390 0.0000 . 1 . . . . A 92 LEU HA . 36816 1 1058 . 1 . 1 92 92 LEU HB2 H 1 1.8480 0.0000 . 2 . . . . A 92 LEU HB2 . 36816 1 1059 . 1 . 1 92 92 LEU HB3 H 1 2.0210 0.0000 . 2 . . . . A 92 LEU HB3 . 36816 1 1060 . 1 . 1 92 92 LEU HD11 H 1 1.1720 0.0000 . 2 . . . . A 92 LEU HD11 . 36816 1 1061 . 1 . 1 92 92 LEU HD12 H 1 1.1720 0.0000 . 2 . . . . A 92 LEU HD12 . 36816 1 1062 . 1 . 1 92 92 LEU HD13 H 1 1.1720 0.0000 . 2 . . . . A 92 LEU HD13 . 36816 1 1063 . 1 . 1 92 92 LEU HD21 H 1 1.2530 0.0000 . 2 . . . . A 92 LEU HD21 . 36816 1 1064 . 1 . 1 92 92 LEU HD22 H 1 1.2530 0.0000 . 2 . . . . A 92 LEU HD22 . 36816 1 1065 . 1 . 1 92 92 LEU HD23 H 1 1.2530 0.0000 . 2 . . . . A 92 LEU HD23 . 36816 1 1066 . 1 . 1 92 92 LEU HG H 1 1.9030 0.0000 . 1 . . . . A 92 LEU HG . 36816 1 1067 . 1 . 1 92 92 LEU CA C 13 57.5400 0.0000 . 1 . . . . A 92 LEU CA . 36816 1 1068 . 1 . 1 92 92 LEU CB C 13 41.8300 0.0000 . 1 . . . . A 92 LEU CB . 36816 1 1069 . 1 . 1 92 92 LEU CD1 C 13 26.6900 0.0000 . 1 . . . . A 92 LEU CD1 . 36816 1 1070 . 1 . 1 92 92 LEU CD2 C 13 23.4100 0.0000 . 1 . . . . A 92 LEU CD2 . 36816 1 1071 . 1 . 1 92 92 LEU CG C 13 27.5100 0.0000 . 1 . . . . A 92 LEU CG . 36816 1 1072 . 1 . 1 92 92 LEU N N 15 120.1900 0.0000 . 1 . . . . A 92 LEU N . 36816 1 1073 . 1 . 1 93 93 ALA H H 1 8.0800 0.0000 . 1 . . . . A 93 ALA H . 36816 1 1074 . 1 . 1 93 93 ALA HA H 1 3.8300 0.0000 . 1 . . . . A 93 ALA HA . 36816 1 1075 . 1 . 1 93 93 ALA HB1 H 1 1.5510 0.0000 . 1 . . . . A 93 ALA HB1 . 36816 1 1076 . 1 . 1 93 93 ALA HB2 H 1 1.5510 0.0000 . 1 . . . . A 93 ALA HB2 . 36816 1 1077 . 1 . 1 93 93 ALA HB3 H 1 1.5510 0.0000 . 1 . . . . A 93 ALA HB3 . 36816 1 1078 . 1 . 1 93 93 ALA CA C 13 55.4000 0.0000 . 1 . . . . A 93 ALA CA . 36816 1 1079 . 1 . 1 93 93 ALA CB C 13 19.5870 0.0000 . 1 . . . . A 93 ALA CB . 36816 1 1080 . 1 . 1 93 93 ALA N N 15 121.3200 0.0000 . 1 . . . . A 93 ALA N . 36816 1 1081 . 1 . 1 94 94 LYS H H 1 8.0400 0.0000 . 1 . . . . A 94 LYS H . 36816 1 1082 . 1 . 1 94 94 LYS HA H 1 3.7500 0.0000 . 1 . . . . A 94 LYS HA . 36816 1 1083 . 1 . 1 94 94 LYS HB2 H 1 1.7830 0.0000 . 2 . . . . A 94 LYS HB2 . 36816 1 1084 . 1 . 1 94 94 LYS HB3 H 1 1.9020 0.0000 . 2 . . . . A 94 LYS HB3 . 36816 1 1085 . 1 . 1 94 94 LYS HD2 H 1 1.7600 0.0000 . 2 . . . . A 94 LYS HD2 . 36816 1 1086 . 1 . 1 94 94 LYS HD3 H 1 1.8100 0.0000 . 2 . . . . A 94 LYS HD3 . 36816 1 1087 . 1 . 1 94 94 LYS HE3 H 1 3.0700 0.0000 . 2 . . . . A 94 LYS HE3 . 36816 1 1088 . 1 . 1 94 94 LYS HG2 H 1 1.3700 0.0000 . 2 . . . . A 94 LYS HG2 . 36816 1 1089 . 1 . 1 94 94 LYS HG3 H 1 1.4300 0.0000 . 2 . . . . A 94 LYS HG3 . 36816 1 1090 . 1 . 1 94 94 LYS CA C 13 60.0700 0.0000 . 1 . . . . A 94 LYS CA . 36816 1 1091 . 1 . 1 94 94 LYS CB C 13 33.1100 0.0000 . 1 . . . . A 94 LYS CB . 36816 1 1092 . 1 . 1 94 94 LYS CD C 13 29.8700 0.0000 . 1 . . . . A 94 LYS CD . 36816 1 1093 . 1 . 1 94 94 LYS CE C 13 41.9100 0.0000 . 1 . . . . A 94 LYS CE . 36816 1 1094 . 1 . 1 94 94 LYS CG C 13 25.0500 0.0000 . 1 . . . . A 94 LYS CG . 36816 1 1095 . 1 . 1 94 94 LYS N N 15 117.0300 0.0000 . 1 . . . . A 94 LYS N . 36816 1 1096 . 1 . 1 95 95 LYS H H 1 7.7700 0.0000 . 1 . . . . A 95 LYS H . 36816 1 1097 . 1 . 1 95 95 LYS HA H 1 4.2300 0.0000 . 1 . . . . A 95 LYS HA . 36816 1 1098 . 1 . 1 95 95 LYS HB2 H 1 2.1100 0.0000 . 2 . . . . A 95 LYS HB2 . 36816 1 1099 . 1 . 1 95 95 LYS HB3 H 1 2.1830 0.0000 . 2 . . . . A 95 LYS HB3 . 36816 1 1100 . 1 . 1 95 95 LYS HD3 H 1 1.8390 0.0000 . 2 . . . . A 95 LYS HD3 . 36816 1 1101 . 1 . 1 95 95 LYS HE3 H 1 3.0790 0.0000 . 2 . . . . A 95 LYS HE3 . 36816 1 1102 . 1 . 1 95 95 LYS HG2 H 1 1.5170 0.0000 . 2 . . . . A 95 LYS HG2 . 36816 1 1103 . 1 . 1 95 95 LYS HG3 H 1 1.7270 0.0000 . 2 . . . . A 95 LYS HG3 . 36816 1 1104 . 1 . 1 95 95 LYS CA C 13 59.6300 0.0000 . 1 . . . . A 95 LYS CA . 36816 1 1105 . 1 . 1 95 95 LYS CB C 13 33.1800 0.0000 . 1 . . . . A 95 LYS CB . 36816 1 1106 . 1 . 1 95 95 LYS CD C 13 29.7000 0.0000 . 1 . . . . A 95 LYS CD . 36816 1 1107 . 1 . 1 95 95 LYS CE C 13 42.0000 0.0000 . 1 . . . . A 95 LYS CE . 36816 1 1108 . 1 . 1 95 95 LYS CG C 13 25.0500 0.0000 . 1 . . . . A 95 LYS CG . 36816 1 1109 . 1 . 1 95 95 LYS N N 15 118.7800 0.0000 . 1 . . . . A 95 LYS N . 36816 1 1110 . 1 . 1 96 96 ILE H H 1 9.2400 0.0000 . 1 . . . . A 96 ILE H . 36816 1 1111 . 1 . 1 96 96 ILE HA H 1 3.9680 0.0000 . 1 . . . . A 96 ILE HA . 36816 1 1112 . 1 . 1 96 96 ILE HB H 1 2.0200 0.0000 . 1 . . . . A 96 ILE HB . 36816 1 1113 . 1 . 1 96 96 ILE HD11 H 1 0.9270 0.0000 . 1 . . . . A 96 ILE HD11 . 36816 1 1114 . 1 . 1 96 96 ILE HD12 H 1 0.9270 0.0000 . 1 . . . . A 96 ILE HD12 . 36816 1 1115 . 1 . 1 96 96 ILE HD13 H 1 0.9270 0.0000 . 1 . . . . A 96 ILE HD13 . 36816 1 1116 . 1 . 1 96 96 ILE HG12 H 1 1.4270 0.0000 . 1 . . . . A 96 ILE HG12 . 36816 1 1117 . 1 . 1 96 96 ILE HG13 H 1 1.8170 0.0000 . 1 . . . . A 96 ILE HG13 . 36816 1 1118 . 1 . 1 96 96 ILE HG21 H 1 1.1000 0.0000 . 1 . . . . A 96 ILE HG21 . 36816 1 1119 . 1 . 1 96 96 ILE HG22 H 1 1.1000 0.0000 . 1 . . . . A 96 ILE HG22 . 36816 1 1120 . 1 . 1 96 96 ILE HG23 H 1 1.1000 0.0000 . 1 . . . . A 96 ILE HG23 . 36816 1 1121 . 1 . 1 96 96 ILE CA C 13 66.1400 0.0000 . 1 . . . . A 96 ILE CA . 36816 1 1122 . 1 . 1 96 96 ILE CB C 13 38.1200 0.0000 . 1 . . . . A 96 ILE CB . 36816 1 1123 . 1 . 1 96 96 ILE CD1 C 13 14.3900 0.0000 . 1 . . . . A 96 ILE CD1 . 36816 1 1124 . 1 . 1 96 96 ILE CG1 C 13 29.4200 0.0000 . 1 . . . . A 96 ILE CG1 . 36816 1 1125 . 1 . 1 96 96 ILE CG2 C 13 17.9400 0.0000 . 1 . . . . A 96 ILE CG2 . 36816 1 1126 . 1 . 1 96 96 ILE N N 15 119.5700 0.0000 . 1 . . . . A 96 ILE N . 36816 1 1127 . 1 . 1 97 97 LEU H H 1 8.4230 0.0000 . 1 . . . . A 97 LEU H . 36816 1 1128 . 1 . 1 97 97 LEU HA H 1 4.1700 0.0000 . 1 . . . . A 97 LEU HA . 36816 1 1129 . 1 . 1 97 97 LEU HB2 H 1 1.5040 0.0000 . 2 . . . . A 97 LEU HB2 . 36816 1 1130 . 1 . 1 97 97 LEU HB3 H 1 1.7700 0.0000 . 2 . . . . A 97 LEU HB3 . 36816 1 1131 . 1 . 1 97 97 LEU HD11 H 1 0.6360 0.0000 . 2 . . . . A 97 LEU HD11 . 36816 1 1132 . 1 . 1 97 97 LEU HD12 H 1 0.6360 0.0000 . 2 . . . . A 97 LEU HD12 . 36816 1 1133 . 1 . 1 97 97 LEU HD13 H 1 0.6360 0.0000 . 2 . . . . A 97 LEU HD13 . 36816 1 1134 . 1 . 1 97 97 LEU HD21 H 1 0.4150 0.0000 . 2 . . . . A 97 LEU HD21 . 36816 1 1135 . 1 . 1 97 97 LEU HD22 H 1 0.4150 0.0000 . 2 . . . . A 97 LEU HD22 . 36816 1 1136 . 1 . 1 97 97 LEU HD23 H 1 0.4150 0.0000 . 2 . . . . A 97 LEU HD23 . 36816 1 1137 . 1 . 1 97 97 LEU HG H 1 1.1380 0.0000 . 1 . . . . A 97 LEU HG . 36816 1 1138 . 1 . 1 97 97 LEU CA C 13 58.5400 0.0000 . 1 . . . . A 97 LEU CA . 36816 1 1139 . 1 . 1 97 97 LEU CB C 13 41.1600 0.0000 . 1 . . . . A 97 LEU CB . 36816 1 1140 . 1 . 1 97 97 LEU CD1 C 13 26.1400 0.0000 . 1 . . . . A 97 LEU CD1 . 36816 1 1141 . 1 . 1 97 97 LEU CD2 C 13 23.4000 0.0000 . 1 . . . . A 97 LEU CD2 . 36816 1 1142 . 1 . 1 97 97 LEU CG C 13 26.6900 0.0000 . 1 . . . . A 97 LEU CG . 36816 1 1143 . 1 . 1 97 97 LEU N N 15 125.3900 0.0000 . 1 . . . . A 97 LEU N . 36816 1 1144 . 1 . 1 98 98 HIS H H 1 7.4020 0.0000 . 1 . . . . A 98 HIS H . 36816 1 1145 . 1 . 1 98 98 HIS HA H 1 4.3480 0.0000 . 1 . . . . A 98 HIS HA . 36816 1 1146 . 1 . 1 98 98 HIS HB2 H 1 3.2450 0.0000 . 2 . . . . A 98 HIS HB2 . 36816 1 1147 . 1 . 1 98 98 HIS HB3 H 1 3.2890 0.0000 . 2 . . . . A 98 HIS HB3 . 36816 1 1148 . 1 . 1 98 98 HIS HD2 H 1 7.1730 0.0000 . 1 . . . . A 98 HIS HD2 . 36816 1 1149 . 1 . 1 98 98 HIS CA C 13 59.7600 0.0000 . 1 . . . . A 98 HIS CA . 36816 1 1150 . 1 . 1 98 98 HIS CB C 13 30.4800 0.0000 . 1 . . . . A 98 HIS CB . 36816 1 1151 . 1 . 1 98 98 HIS CD2 C 13 120.3400 0.0000 . 1 . . . . A 98 HIS CD2 . 36816 1 1152 . 1 . 1 98 98 HIS N N 15 116.1400 0.0000 . 1 . . . . A 98 HIS N . 36816 1 1153 . 1 . 1 99 99 ALA H H 1 8.3450 0.0000 . 1 . . . . A 99 ALA H . 36816 1 1154 . 1 . 1 99 99 ALA HA H 1 4.1990 0.0000 . 1 . . . . A 99 ALA HA . 36816 1 1155 . 1 . 1 99 99 ALA HB1 H 1 1.5970 0.0000 . 1 . . . . A 99 ALA HB1 . 36816 1 1156 . 1 . 1 99 99 ALA HB2 H 1 1.5970 0.0000 . 1 . . . . A 99 ALA HB2 . 36816 1 1157 . 1 . 1 99 99 ALA HB3 H 1 1.5970 0.0000 . 1 . . . . A 99 ALA HB3 . 36816 1 1158 . 1 . 1 99 99 ALA CA C 13 54.9900 0.0000 . 1 . . . . A 99 ALA CA . 36816 1 1159 . 1 . 1 99 99 ALA CB C 13 18.4930 0.0000 . 1 . . . . A 99 ALA CB . 36816 1 1160 . 1 . 1 99 99 ALA N N 15 120.8900 0.0000 . 1 . . . . A 99 ALA N . 36816 1 1161 . 1 . 1 100 100 GLY H H 1 9.6100 0.0000 . 1 . . . . A 100 GLY H . 36816 1 1162 . 1 . 1 100 100 GLY HA2 H 1 3.6130 0.0000 . 2 . . . . A 100 GLY HA2 . 36816 1 1163 . 1 . 1 100 100 GLY HA3 H 1 3.7040 0.0000 . 2 . . . . A 100 GLY HA3 . 36816 1 1164 . 1 . 1 100 100 GLY CA C 13 47.7200 0.0000 . 1 . . . . A 100 GLY CA . 36816 1 1165 . 1 . 1 100 100 GLY N N 15 108.1900 0.0000 . 1 . . . . A 100 GLY N . 36816 1 1166 . 1 . 1 101 101 PHE H H 1 8.6350 0.0000 . 1 . . . . A 101 PHE H . 36816 1 1167 . 1 . 1 101 101 PHE HA H 1 4.2300 0.0000 . 1 . . . . A 101 PHE HA . 36816 1 1168 . 1 . 1 101 101 PHE HB2 H 1 3.1950 0.0000 . 2 . . . . A 101 PHE HB2 . 36816 1 1169 . 1 . 1 101 101 PHE HB3 H 1 3.3800 0.0000 . 2 . . . . A 101 PHE HB3 . 36816 1 1170 . 1 . 1 101 101 PHE HD1 H 1 7.4400 0.0000 . 3 . . . . A 101 PHE HD1 . 36816 1 1171 . 1 . 1 101 101 PHE HD2 H 1 7.4400 0.0000 . 3 . . . . A 101 PHE HD2 . 36816 1 1172 . 1 . 1 101 101 PHE HE1 H 1 7.3220 0.0000 . 3 . . . . A 101 PHE HE1 . 36816 1 1173 . 1 . 1 101 101 PHE HE2 H 1 7.3220 0.0000 . 3 . . . . A 101 PHE HE2 . 36816 1 1174 . 1 . 1 101 101 PHE HZ H 1 7.3060 0.0000 . 1 . . . . A 101 PHE HZ . 36816 1 1175 . 1 . 1 101 101 PHE CA C 13 61.7900 0.0000 . 1 . . . . A 101 PHE CA . 36816 1 1176 . 1 . 1 101 101 PHE CB C 13 37.3400 0.0000 . 1 . . . . A 101 PHE CB . 36816 1 1177 . 1 . 1 101 101 PHE CD1 C 13 130.4300 0.0000 . 3 . . . . A 101 PHE CD1 . 36816 1 1178 . 1 . 1 101 101 PHE CD2 C 13 130.4300 0.0000 . 3 . . . . A 101 PHE CD2 . 36816 1 1179 . 1 . 1 101 101 PHE CE1 C 13 131.3700 0.0000 . 3 . . . . A 101 PHE CE1 . 36816 1 1180 . 1 . 1 101 101 PHE CE2 C 13 131.2700 0.0000 . 3 . . . . A 101 PHE CE2 . 36816 1 1181 . 1 . 1 101 101 PHE CZ C 13 129.6500 0.0000 . 1 . . . . A 101 PHE CZ . 36816 1 1182 . 1 . 1 101 101 PHE N N 15 122.3000 0.0000 . 1 . . . . A 101 PHE N . 36816 1 1183 . 1 . 1 102 102 LYS H H 1 7.8560 0.0000 . 1 . . . . A 102 LYS H . 36816 1 1184 . 1 . 1 102 102 LYS HA H 1 4.0950 0.0000 . 1 . . . . A 102 LYS HA . 36816 1 1185 . 1 . 1 102 102 LYS HB3 H 1 1.8880 0.0000 . 2 . . . . A 102 LYS HB3 . 36816 1 1186 . 1 . 1 102 102 LYS HD3 H 1 1.6950 0.0000 . 2 . . . . A 102 LYS HD3 . 36816 1 1187 . 1 . 1 102 102 LYS HE3 H 1 2.9700 0.0000 . 2 . . . . A 102 LYS HE3 . 36816 1 1188 . 1 . 1 102 102 LYS HG2 H 1 1.4120 0.0000 . 2 . . . . A 102 LYS HG2 . 36816 1 1189 . 1 . 1 102 102 LYS HG3 H 1 1.5210 0.0000 . 2 . . . . A 102 LYS HG3 . 36816 1 1190 . 1 . 1 102 102 LYS CA C 13 59.6600 0.0000 . 1 . . . . A 102 LYS CA . 36816 1 1191 . 1 . 1 102 102 LYS CB C 13 32.1500 0.0000 . 1 . . . . A 102 LYS CB . 36816 1 1192 . 1 . 1 102 102 LYS CD C 13 29.1500 0.0000 . 1 . . . . A 102 LYS CD . 36816 1 1193 . 1 . 1 102 102 LYS CE C 13 41.7300 0.0000 . 1 . . . . A 102 LYS CE . 36816 1 1194 . 1 . 1 102 102 LYS CG C 13 24.7800 0.0000 . 1 . . . . A 102 LYS CG . 36816 1 1195 . 1 . 1 102 102 LYS N N 15 120.1900 0.0000 . 1 . . . . A 102 LYS N . 36816 1 1196 . 1 . 1 103 103 MET H H 1 7.8390 0.0000 . 1 . . . . A 103 MET H . 36816 1 1197 . 1 . 1 103 103 MET HA H 1 3.8600 0.0000 . 1 . . . . A 103 MET HA . 36816 1 1198 . 1 . 1 103 103 MET HB2 H 1 1.7700 0.0000 . 2 . . . . A 103 MET HB2 . 36816 1 1199 . 1 . 1 103 103 MET HB3 H 1 2.0300 0.0000 . 2 . . . . A 103 MET HB3 . 36816 1 1200 . 1 . 1 103 103 MET HE1 H 1 1.8000 0.0000 . 1 . . . . A 103 MET HE1 . 36816 1 1201 . 1 . 1 103 103 MET HE2 H 1 1.8000 0.0000 . 1 . . . . A 103 MET HE2 . 36816 1 1202 . 1 . 1 103 103 MET HE3 H 1 1.8000 0.0000 . 1 . . . . A 103 MET HE3 . 36816 1 1203 . 1 . 1 103 103 MET HG2 H 1 2.1100 0.0000 . 2 . . . . A 103 MET HG2 . 36816 1 1204 . 1 . 1 103 103 MET HG3 H 1 2.1800 0.0000 . 2 . . . . A 103 MET HG3 . 36816 1 1205 . 1 . 1 103 103 MET CA C 13 58.5000 0.0000 . 1 . . . . A 103 MET CA . 36816 1 1206 . 1 . 1 103 103 MET CB C 13 32.9500 0.0000 . 1 . . . . A 103 MET CB . 36816 1 1207 . 1 . 1 103 103 MET CE C 13 16.3700 0.0000 . 1 . . . . A 103 MET CE . 36816 1 1208 . 1 . 1 103 103 MET CG C 13 33.9800 0.0000 . 1 . . . . A 103 MET CG . 36816 1 1209 . 1 . 1 103 103 MET N N 15 118.9300 0.0000 . 1 . . . . A 103 MET N . 36816 1 1210 . 1 . 1 104 104 MET HA H 1 3.7400 0.0000 . 1 . . . . A 104 MET HA . 36816 1 1211 . 1 . 1 104 104 MET HB2 H 1 1.5300 0.0000 . 2 . . . . A 104 MET HB2 . 36816 1 1212 . 1 . 1 104 104 MET HB3 H 1 1.6800 0.0000 . 2 . . . . A 104 MET HB3 . 36816 1 1213 . 1 . 1 104 104 MET HE1 H 1 1.3140 0.0000 . 1 . . . . A 104 MET HE1 . 36816 1 1214 . 1 . 1 104 104 MET HE2 H 1 1.3140 0.0000 . 1 . . . . A 104 MET HE2 . 36816 1 1215 . 1 . 1 104 104 MET HE3 H 1 1.3140 0.0000 . 1 . . . . A 104 MET HE3 . 36816 1 1216 . 1 . 1 104 104 MET HG2 H 1 0.7560 0.0000 . 2 . . . . A 104 MET HG2 . 36816 1 1217 . 1 . 1 104 104 MET HG3 H 1 2.0010 0.0000 . 2 . . . . A 104 MET HG3 . 36816 1 1218 . 1 . 1 104 104 MET CA C 13 57.6900 0.0000 . 1 . . . . A 104 MET CA . 36816 1 1219 . 1 . 1 104 104 MET CB C 13 34.4300 0.0000 . 1 . . . . A 104 MET CB . 36816 1 1220 . 1 . 1 104 104 MET CE C 13 17.3900 0.0000 . 1 . . . . A 104 MET CE . 36816 1 1221 . 1 . 1 104 104 MET CG C 13 32.0700 0.0000 . 1 . . . . A 104 MET CG . 36816 1 1222 . 1 . 1 105 105 SER CA C 13 60.5300 0.0000 . 1 . . . . A 105 SER CA . 36816 1 1223 . 1 . 1 105 105 SER CB C 13 65.0700 0.0000 . 1 . . . . A 105 SER CB . 36816 1 1224 . 1 . 1 105 105 SER N N 15 120.6100 0.0000 . 1 . . . . A 105 SER N . 36816 1 1225 . 1 . 1 106 106 LYS HA H 1 3.8500 0.0000 . 1 . . . . A 106 LYS HA . 36816 1 1226 . 1 . 1 106 106 LYS HD2 H 1 1.6200 0.0000 . 2 . . . . A 106 LYS HD2 . 36816 1 1227 . 1 . 1 106 106 LYS HD3 H 1 1.9500 0.0000 . 2 . . . . A 106 LYS HD3 . 36816 1 1228 . 1 . 1 106 106 LYS HE3 H 1 2.9600 0.0000 . 2 . . . . A 106 LYS HE3 . 36816 1 1229 . 1 . 1 106 106 LYS CA C 13 56.7300 0.0000 . 1 . . . . A 106 LYS CA . 36816 1 1230 . 1 . 1 106 106 LYS CB C 13 32.5600 0.0000 . 1 . . . . A 106 LYS CB . 36816 1 1231 . 1 . 1 106 106 LYS CD C 13 26.6000 0.0000 . 1 . . . . A 106 LYS CD . 36816 1 1232 . 1 . 1 106 106 LYS CE C 13 41.9000 0.0000 . 1 . . . . A 106 LYS CE . 36816 1 1233 . 1 . 1 107 107 GLN H H 1 8.0900 0.0000 . 1 . . . . A 107 GLN H . 36816 1 1234 . 1 . 1 107 107 GLN HA H 1 3.9800 0.0000 . 1 . . . . A 107 GLN HA . 36816 1 1235 . 1 . 1 107 107 GLN HB2 H 1 1.9200 0.0000 . 2 . . . . A 107 GLN HB2 . 36816 1 1236 . 1 . 1 107 107 GLN HB3 H 1 1.9700 0.0000 . 2 . . . . A 107 GLN HB3 . 36816 1 1237 . 1 . 1 107 107 GLN HG3 H 1 2.1700 0.0000 . 2 . . . . A 107 GLN HG3 . 36816 1 1238 . 1 . 1 107 107 GLN CA C 13 55.8300 0.0000 . 1 . . . . A 107 GLN CA . 36816 1 1239 . 1 . 1 107 107 GLN CB C 13 29.5300 0.0000 . 1 . . . . A 107 GLN CB . 36816 1 1240 . 1 . 1 107 107 GLN N N 15 120.6100 0.0000 . 1 . . . . A 107 GLN N . 36816 1 1241 . 1 . 1 108 108 ALA H H 1 8.1890 0.0000 . 1 . . . . A 108 ALA H . 36816 1 1242 . 1 . 1 108 108 ALA HA H 1 4.2770 0.0000 . 1 . . . . A 108 ALA HA . 36816 1 1243 . 1 . 1 108 108 ALA HB1 H 1 1.4200 0.0000 . 1 . . . . A 108 ALA HB1 . 36816 1 1244 . 1 . 1 108 108 ALA HB2 H 1 1.4200 0.0000 . 1 . . . . A 108 ALA HB2 . 36816 1 1245 . 1 . 1 108 108 ALA HB3 H 1 1.4200 0.0000 . 1 . . . . A 108 ALA HB3 . 36816 1 1246 . 1 . 1 108 108 ALA CA C 13 52.4000 0.0000 . 1 . . . . A 108 ALA CA . 36816 1 1247 . 1 . 1 108 108 ALA CB C 13 19.0700 0.0000 . 1 . . . . A 108 ALA CB . 36816 1 1248 . 1 . 1 108 108 ALA N N 15 125.2500 0.0000 . 1 . . . . A 108 ALA N . 36816 1 1249 . 1 . 1 109 109 ALA H H 1 7.8980 0.0000 . 1 . . . . A 109 ALA H . 36816 1 1250 . 1 . 1 109 109 ALA HA H 1 4.2670 0.0000 . 1 . . . . A 109 ALA HA . 36816 1 1251 . 1 . 1 109 109 ALA HB1 H 1 1.4760 0.0000 . 1 . . . . A 109 ALA HB1 . 36816 1 1252 . 1 . 1 109 109 ALA HB2 H 1 1.4760 0.0000 . 1 . . . . A 109 ALA HB2 . 36816 1 1253 . 1 . 1 109 109 ALA HB3 H 1 1.4760 0.0000 . 1 . . . . A 109 ALA HB3 . 36816 1 1254 . 1 . 1 109 109 ALA CA C 13 53.5600 0.0000 . 1 . . . . A 109 ALA CA . 36816 1 1255 . 1 . 1 109 109 ALA CB C 13 20.1330 0.0000 . 1 . . . . A 109 ALA CB . 36816 1 1256 . 1 . 1 109 109 ALA N N 15 110.9100 0.0000 . 1 . . . . A 109 ALA N . 36816 1 1257 . 1 . 1 110 110 LEU HA H 1 4.3460 0.0000 . 1 . . . . A 110 LEU HA . 36816 1 1258 . 1 . 1 110 110 LEU HB2 H 1 1.5800 0.0000 . 2 . . . . A 110 LEU HB2 . 36816 1 1259 . 1 . 1 110 110 LEU HB3 H 1 1.6500 0.0000 . 2 . . . . A 110 LEU HB3 . 36816 1 1260 . 1 . 1 110 110 LEU HD11 H 1 0.8830 0.0000 . 2 . . . . A 110 LEU HD11 . 36816 1 1261 . 1 . 1 110 110 LEU HD12 H 1 0.8830 0.0000 . 2 . . . . A 110 LEU HD12 . 36816 1 1262 . 1 . 1 110 110 LEU HD13 H 1 0.8830 0.0000 . 2 . . . . A 110 LEU HD13 . 36816 1 1263 . 1 . 1 110 110 LEU HD21 H 1 0.8460 0.0000 . 2 . . . . A 110 LEU HD21 . 36816 1 1264 . 1 . 1 110 110 LEU HD22 H 1 0.8460 0.0000 . 2 . . . . A 110 LEU HD22 . 36816 1 1265 . 1 . 1 110 110 LEU HD23 H 1 0.8460 0.0000 . 2 . . . . A 110 LEU HD23 . 36816 1 1266 . 1 . 1 110 110 LEU HG H 1 1.5480 0.0000 . 1 . . . . A 110 LEU HG . 36816 1 1267 . 1 . 1 110 110 LEU CA C 13 55.4700 0.0000 . 1 . . . . A 110 LEU CA . 36816 1 1268 . 1 . 1 110 110 LEU CB C 13 42.2900 0.0000 . 1 . . . . A 110 LEU CB . 36816 1 1269 . 1 . 1 110 110 LEU CD1 C 13 25.0500 0.0000 . 1 . . . . A 110 LEU CD1 . 36816 1 1270 . 1 . 1 110 110 LEU CD2 C 13 23.4100 0.0000 . 1 . . . . A 110 LEU CD2 . 36816 1 1271 . 1 . 1 110 110 LEU CG C 13 26.9600 0.0000 . 1 . . . . A 110 LEU CG . 36816 1 1272 . 1 . 1 111 111 LEU HA H 1 4.3200 0.0000 . 1 . . . . A 111 LEU HA . 36816 1 1273 . 1 . 1 111 111 LEU CA C 13 56.7000 0.0000 . 1 . . . . A 111 LEU CA . 36816 1 1274 . 1 . 1 111 111 LEU CB C 13 43.4100 0.0000 . 1 . . . . A 111 LEU CB . 36816 1 1275 . 1 . 1 111 111 LEU N N 15 110.7700 0.0000 . 1 . . . . A 111 LEU N . 36816 1 1276 . 1 . 1 112 112 GLY HA3 H 1 4.0000 0.0000 . 2 . . . . A 112 GLY HA3 . 36816 1 1277 . 1 . 1 112 112 GLY CA C 13 45.3900 0.0000 . 1 . . . . A 112 GLY CA . 36816 1 1278 . 1 . 1 113 113 ASN HA H 1 4.7600 0.0000 . 1 . . . . A 113 ASN HA . 36816 1 1279 . 1 . 1 113 113 ASN HB2 H 1 2.7500 0.0000 . 2 . . . . A 113 ASN HB2 . 36816 1 1280 . 1 . 1 113 113 ASN HB3 H 1 2.8550 0.0000 . 2 . . . . A 113 ASN HB3 . 36816 1 1281 . 1 . 1 113 113 ASN HD21 H 1 7.5880 0.0000 . 2 . . . . A 113 ASN HD21 . 36816 1 1282 . 1 . 1 113 113 ASN HD22 H 1 6.9340 0.0000 . 2 . . . . A 113 ASN HD22 . 36816 1 1283 . 1 . 1 113 113 ASN CA C 13 53.2900 0.0000 . 1 . . . . A 113 ASN CA . 36816 1 1284 . 1 . 1 113 113 ASN CB C 13 39.3200 0.0000 . 1 . . . . A 113 ASN CB . 36816 1 1285 . 1 . 1 113 113 ASN ND2 N 15 112.9400 0.0000 . 1 . . . . A 113 ASN ND2 . 36816 1 1286 . 1 . 1 114 114 GLU H H 1 8.5780 0.0000 . 1 . . . . A 114 GLU H . 36816 1 1287 . 1 . 1 114 114 GLU HA H 1 4.2930 0.0000 . 1 . . . . A 114 GLU HA . 36816 1 1288 . 1 . 1 114 114 GLU HB2 H 1 1.9560 0.0000 . 2 . . . . A 114 GLU HB2 . 36816 1 1289 . 1 . 1 114 114 GLU HB3 H 1 2.0950 0.0000 . 2 . . . . A 114 GLU HB3 . 36816 1 1290 . 1 . 1 114 114 GLU HG3 H 1 2.2760 0.0000 . 2 . . . . A 114 GLU HG3 . 36816 1 1291 . 1 . 1 114 114 GLU CA C 13 57.1500 0.0000 . 1 . . . . A 114 GLU CA . 36816 1 1292 . 1 . 1 114 114 GLU CB C 13 30.2400 0.0000 . 1 . . . . A 114 GLU CB . 36816 1 1293 . 1 . 1 114 114 GLU CG C 13 36.5600 0.0000 . 1 . . . . A 114 GLU CG . 36816 1 1294 . 1 . 1 114 114 GLU N N 15 121.2400 0.0000 . 1 . . . . A 114 GLU N . 36816 1 1295 . 1 . 1 115 115 ASP H H 1 8.4520 0.0000 . 1 . . . . A 115 ASP H . 36816 1 1296 . 1 . 1 115 115 ASP HA H 1 4.7200 0.0000 . 1 . . . . A 115 ASP HA . 36816 1 1297 . 1 . 1 115 115 ASP HB2 H 1 2.6650 0.0000 . 2 . . . . A 115 ASP HB2 . 36816 1 1298 . 1 . 1 115 115 ASP HB3 H 1 2.7720 0.0000 . 2 . . . . A 115 ASP HB3 . 36816 1 1299 . 1 . 1 115 115 ASP CA C 13 54.4500 0.0000 . 1 . . . . A 115 ASP CA . 36816 1 1300 . 1 . 1 115 115 ASP CB C 13 41.2300 0.0000 . 1 . . . . A 115 ASP CB . 36816 1 1301 . 1 . 1 115 115 ASP N N 15 121.1000 0.0000 . 1 . . . . A 115 ASP N . 36816 1 1302 . 1 . 1 116 116 THR H H 1 8.0260 0.0000 . 1 . . . . A 116 THR H . 36816 1 1303 . 1 . 1 116 116 THR HA H 1 4.3550 0.0000 . 1 . . . . A 116 THR HA . 36816 1 1304 . 1 . 1 116 116 THR HB H 1 4.3950 0.0000 . 1 . . . . A 116 THR HB . 36816 1 1305 . 1 . 1 116 116 THR HG21 H 1 1.3050 0.0000 . 1 . . . . A 116 THR HG21 . 36816 1 1306 . 1 . 1 116 116 THR HG22 H 1 1.3050 0.0000 . 1 . . . . A 116 THR HG22 . 36816 1 1307 . 1 . 1 116 116 THR HG23 H 1 1.3050 0.0000 . 1 . . . . A 116 THR HG23 . 36816 1 1308 . 1 . 1 116 116 THR CA C 13 61.4210 0.0000 . 1 . . . . A 116 THR CA . 36816 1 1309 . 1 . 1 116 116 THR CB C 13 69.5310 0.0000 . 1 . . . . A 116 THR CB . 36816 1 1310 . 1 . 1 116 116 THR CG2 C 13 21.5000 0.0000 . 1 . . . . A 116 THR CG2 . 36816 1 1311 . 1 . 1 116 116 THR N N 15 113.6200 0.0000 . 1 . . . . A 116 THR N . 36816 1 1312 . 1 . 1 117 117 ALA H H 1 7.9450 0.0000 . 1 . . . . A 117 ALA H . 36816 1 1313 . 1 . 1 117 117 ALA HA H 1 4.1600 0.0000 . 1 . . . . A 117 ALA HA . 36816 1 1314 . 1 . 1 117 117 ALA HB1 H 1 1.3740 0.0000 . 1 . . . . A 117 ALA HB1 . 36816 1 1315 . 1 . 1 117 117 ALA HB2 H 1 1.3740 0.0000 . 1 . . . . A 117 ALA HB2 . 36816 1 1316 . 1 . 1 117 117 ALA HB3 H 1 1.3740 0.0000 . 1 . . . . A 117 ALA HB3 . 36816 1 1317 . 1 . 1 117 117 ALA CA C 13 54.1400 0.0000 . 1 . . . . A 117 ALA CA . 36816 1 1318 . 1 . 1 117 117 ALA CB C 13 20.1600 0.0000 . 1 . . . . A 117 ALA CB . 36816 1 1319 . 1 . 1 117 117 ALA N N 15 113.8200 0.0000 . 1 . . . . A 117 ALA N . 36816 1 1320 . 2 . 2 1 1 THR HA H 1 4.4190 0.0000 . 1 . . . . B 201 THR HA . 36816 1 1321 . 2 . 2 1 1 THR HB H 1 4.3440 0.0000 . 1 . . . . B 201 THR HB . 36816 1 1322 . 2 . 2 1 1 THR HG21 H 1 1.2900 0.0000 . 1 . . . . B 201 THR HG21 . 36816 1 1323 . 2 . 2 1 1 THR HG22 H 1 1.2900 0.0000 . 1 . . . . B 201 THR HG22 . 36816 1 1324 . 2 . 2 1 1 THR HG23 H 1 1.2900 0.0000 . 1 . . . . B 201 THR HG23 . 36816 1 1325 . 2 . 2 1 1 THR CA C 13 62.1600 0.0000 . 1 . . . . B 201 THR CA . 36816 1 1326 . 2 . 2 1 1 THR CB C 13 69.8400 0.0000 . 1 . . . . B 201 THR CB . 36816 1 1327 . 2 . 2 1 1 THR CG2 C 13 21.6800 0.0000 . 1 . . . . B 201 THR CG2 . 36816 1 1328 . 2 . 2 2 2 GLY HA3 H 1 4.0600 0.0000 . 2 . . . . B 202 GLY HA3 . 36816 1 1329 . 2 . 2 2 2 GLY CA C 13 45.5500 0.0000 . 1 . . . . B 202 GLY CA . 36816 1 1330 . 2 . 2 3 3 GLY HA3 H 1 4.0300 0.0000 . 2 . . . . B 203 GLY HA3 . 36816 1 1331 . 2 . 2 3 3 GLY CA C 13 45.3200 0.0000 . 1 . . . . B 203 GLY CA . 36816 1 1332 . 2 . 2 4 4 LYS HA H 1 4.4060 0.0000 . 1 . . . . B 204 LYS HA . 36816 1 1333 . 2 . 2 4 4 LYS HB2 H 1 1.8200 0.0000 . 2 . . . . B 204 LYS HB2 . 36816 1 1334 . 2 . 2 4 4 LYS HB3 H 1 1.9050 0.0000 . 2 . . . . B 204 LYS HB3 . 36816 1 1335 . 2 . 2 4 4 LYS HD3 H 1 1.7500 0.0000 . 2 . . . . B 204 LYS HD3 . 36816 1 1336 . 2 . 2 4 4 LYS HE3 H 1 3.0700 0.0000 . 2 . . . . B 204 LYS HE3 . 36816 1 1337 . 2 . 2 4 4 LYS HG3 H 1 1.5030 0.0000 . 2 . . . . B 204 LYS HG3 . 36816 1 1338 . 2 . 2 4 4 LYS CA C 13 56.1400 0.0000 . 1 . . . . B 204 LYS CA . 36816 1 1339 . 2 . 2 4 4 LYS CB C 13 33.3300 0.0000 . 1 . . . . B 204 LYS CB . 36816 1 1340 . 2 . 2 4 4 LYS CD C 13 29.1800 0.0000 . 1 . . . . B 204 LYS CD . 36816 1 1341 . 2 . 2 4 4 LYS CE C 13 42.2200 0.0000 . 1 . . . . B 204 LYS CE . 36816 1 1342 . 2 . 2 4 4 LYS CG C 13 24.6800 0.0000 . 1 . . . . B 204 LYS CG . 36816 1 1343 . 2 . 2 5 5 ALA H H 1 8.3170 0.0000 . 1 . . . . B 205 ALA H . 36816 1 1344 . 2 . 2 5 5 ALA HA H 1 4.6420 0.0000 . 1 . . . . B 205 ALA HA . 36816 1 1345 . 2 . 2 5 5 ALA HB1 H 1 1.4220 0.0000 . 1 . . . . B 205 ALA HB1 . 36816 1 1346 . 2 . 2 5 5 ALA HB2 H 1 1.4220 0.0000 . 1 . . . . B 205 ALA HB2 . 36816 1 1347 . 2 . 2 5 5 ALA HB3 H 1 1.4220 0.0000 . 1 . . . . B 205 ALA HB3 . 36816 1 1348 . 2 . 2 5 5 ALA CA C 13 50.7100 0.0000 . 1 . . . . B 205 ALA CA . 36816 1 1349 . 2 . 2 5 5 ALA CB C 13 18.2200 0.0000 . 1 . . . . B 205 ALA CB . 36816 1 1350 . 2 . 2 6 6 PRO HA H 1 4.4910 0.0000 . 1 . . . . B 206 PRO HA . 36816 1 1351 . 2 . 2 6 6 PRO HB2 H 1 1.9620 0.0000 . 2 . . . . B 206 PRO HB2 . 36816 1 1352 . 2 . 2 6 6 PRO HB3 H 1 2.3640 0.0000 . 2 . . . . B 206 PRO HB3 . 36816 1 1353 . 2 . 2 6 6 PRO HD2 H 1 3.7230 0.0000 . 2 . . . . B 206 PRO HD2 . 36816 1 1354 . 2 . 2 6 6 PRO HD3 H 1 3.8630 0.0000 . 2 . . . . B 206 PRO HD3 . 36816 1 1355 . 2 . 2 6 6 PRO HG3 H 1 2.1050 0.0000 . 2 . . . . B 206 PRO HG3 . 36816 1 1356 . 2 . 2 6 6 PRO CA C 13 63.1500 0.0000 . 1 . . . . B 206 PRO CA . 36816 1 1357 . 2 . 2 6 6 PRO CB C 13 32.2000 0.0000 . 1 . . . . B 206 PRO CB . 36816 1 1358 . 2 . 2 6 6 PRO CD C 13 50.5900 0.0000 . 1 . . . . B 206 PRO CD . 36816 1 1359 . 2 . 2 6 6 PRO CG C 13 27.5000 0.0000 . 1 . . . . B 206 PRO CG . 36816 1 1360 . 2 . 2 7 7 ARG H H 1 8.4090 0.0000 . 1 . . . . B 207 ARG H . 36816 1 1361 . 2 . 2 7 7 ARG HA H 1 4.3620 0.0000 . 1 . . . . B 207 ARG HA . 36816 1 1362 . 2 . 2 7 7 ARG HB2 H 1 1.8430 0.0000 . 2 . . . . B 207 ARG HB2 . 36816 1 1363 . 2 . 2 7 7 ARG HB3 H 1 1.9130 0.0000 . 2 . . . . B 207 ARG HB3 . 36816 1 1364 . 2 . 2 7 7 ARG HD3 H 1 3.2880 0.0000 . 2 . . . . B 207 ARG HD3 . 36816 1 1365 . 2 . 2 7 7 ARG HG3 H 1 1.7230 0.0000 . 2 . . . . B 207 ARG HG3 . 36816 1 1366 . 2 . 2 7 7 ARG CA C 13 56.1800 0.0000 . 1 . . . . B 207 ARG CA . 36816 1 1367 . 2 . 2 7 7 ARG CB C 13 30.8000 0.0000 . 1 . . . . B 207 ARG CB . 36816 1 1368 . 2 . 2 7 7 ARG CD C 13 43.4800 0.0000 . 1 . . . . B 207 ARG CD . 36816 1 1369 . 2 . 2 8 8 ALY H H 1 8.1070 0.0000 . 1 . . . . B 208 ALY H . 36816 1 1370 . 2 . 2 8 8 ALY HA H 1 4.3310 0.0000 . 1 . . . . B 208 ALY HA . 36816 1 1371 . 2 . 2 8 8 ALY HB3 H 1 1.7000 0.0000 . 2 . . . . B 208 ALY HB3 . 36816 1 1372 . 2 . 2 8 8 ALY HD3 H 1 1.6720 0.0000 . 2 . . . . B 208 ALY HD3 . 36816 1 1373 . 2 . 2 8 8 ALY HE3 H 1 3.1200 0.0000 . 2 . . . . B 208 ALY HE3 . 36816 1 1374 . 2 . 2 8 8 ALY HG3 H 1 1.3000 0.0000 . 2 . . . . B 208 ALY HG3 . 36816 1 1375 . 2 . 2 8 8 ALY CG C 13 25.1000 0.0000 . 1 . . . . B 208 ALY CG . 36816 1 1376 . 2 . 2 9 9 GLN H H 1 8.4270 0.0000 . 1 . . . . B 209 GLN H . 36816 1 1377 . 2 . 2 9 9 GLN HA H 1 4.3950 0.0000 . 1 . . . . B 209 GLN HA . 36816 1 1378 . 2 . 2 9 9 GLN HB2 H 1 2.0350 0.0000 . 2 . . . . B 209 GLN HB2 . 36816 1 1379 . 2 . 2 9 9 GLN HB3 H 1 2.1490 0.0000 . 2 . . . . B 209 GLN HB3 . 36816 1 1380 . 2 . 2 9 9 GLN HG3 H 1 2.4170 0.0000 . 2 . . . . B 209 GLN HG3 . 36816 1 1381 . 2 . 2 9 9 GLN CB C 13 29.5000 0.0000 . 1 . . . . B 209 GLN CB . 36816 1 1382 . 2 . 2 9 9 GLN CG C 13 33.8600 0.0000 . 1 . . . . B 209 GLN CG . 36816 1 1383 . 2 . 2 10 10 LEU H H 1 8.2880 0.0000 . 1 . . . . B 210 LEU H . 36816 1 1384 . 2 . 2 10 10 LEU HA H 1 4.4020 0.0000 . 1 . . . . B 210 LEU HA . 36816 1 1385 . 2 . 2 10 10 LEU HB2 H 1 1.6590 0.0000 . 2 . . . . B 210 LEU HB2 . 36816 1 1386 . 2 . 2 10 10 LEU HB3 H 1 1.7000 0.0000 . 2 . . . . B 210 LEU HB3 . 36816 1 1387 . 2 . 2 10 10 LEU HD11 H 1 0.9100 0.0000 . 2 . . . . B 210 LEU HD11 . 36816 1 1388 . 2 . 2 10 10 LEU HD12 H 1 0.9100 0.0000 . 2 . . . . B 210 LEU HD12 . 36816 1 1389 . 2 . 2 10 10 LEU HD13 H 1 0.9100 0.0000 . 2 . . . . B 210 LEU HD13 . 36816 1 1390 . 2 . 2 10 10 LEU HD21 H 1 0.9350 0.0000 . 2 . . . . B 210 LEU HD21 . 36816 1 1391 . 2 . 2 10 10 LEU HD22 H 1 0.9350 0.0000 . 2 . . . . B 210 LEU HD22 . 36816 1 1392 . 2 . 2 10 10 LEU HD23 H 1 0.9350 0.0000 . 2 . . . . B 210 LEU HD23 . 36816 1 1393 . 2 . 2 10 10 LEU HG H 1 1.5900 0.0000 . 1 . . . . B 210 LEU HG . 36816 1 1394 . 2 . 2 10 10 LEU CA C 13 55.1600 0.0000 . 1 . . . . B 210 LEU CA . 36816 1 1395 . 2 . 2 10 10 LEU CB C 13 42.6400 0.0000 . 1 . . . . B 210 LEU CB . 36816 1 1396 . 2 . 2 10 10 LEU CD1 C 13 24.9880 0.0000 . 1 . . . . B 210 LEU CD1 . 36816 1 1397 . 2 . 2 10 10 LEU CD2 C 13 23.5100 0.0000 . 1 . . . . B 210 LEU CD2 . 36816 1 1398 . 2 . 2 11 11 ALA H H 1 8.3620 0.0000 . 1 . . . . B 211 ALA H . 36816 1 1399 . 2 . 2 11 11 ALA HA H 1 4.4430 0.0000 . 1 . . . . B 211 ALA HA . 36816 1 1400 . 2 . 2 11 11 ALA HB1 H 1 1.4690 0.0000 . 1 . . . . B 211 ALA HB1 . 36816 1 1401 . 2 . 2 11 11 ALA HB2 H 1 1.4690 0.0000 . 1 . . . . B 211 ALA HB2 . 36816 1 1402 . 2 . 2 11 11 ALA HB3 H 1 1.4690 0.0000 . 1 . . . . B 211 ALA HB3 . 36816 1 1403 . 2 . 2 11 11 ALA CA C 13 52.5700 0.0000 . 1 . . . . B 211 ALA CA . 36816 1 1404 . 2 . 2 11 11 ALA CB C 13 19.3500 0.0000 . 1 . . . . B 211 ALA CB . 36816 1 1405 . 2 . 2 12 12 THR H H 1 8.0930 0.0000 . 1 . . . . B 212 THR H . 36816 1 1406 . 2 . 2 12 12 THR HA H 1 4.3600 0.0000 . 1 . . . . B 212 THR HA . 36816 1 1407 . 2 . 2 12 12 THR HB H 1 4.2550 0.0000 . 1 . . . . B 212 THR HB . 36816 1 1408 . 2 . 2 12 12 THR HG21 H 1 1.2680 0.0000 . 1 . . . . B 212 THR HG21 . 36816 1 1409 . 2 . 2 12 12 THR HG22 H 1 1.2680 0.0000 . 1 . . . . B 212 THR HG22 . 36816 1 1410 . 2 . 2 12 12 THR HG23 H 1 1.2680 0.0000 . 1 . . . . B 212 THR HG23 . 36816 1 1411 . 2 . 2 12 12 THR CA C 13 61.7700 0.0000 . 1 . . . . B 212 THR CA . 36816 1 1412 . 2 . 2 12 12 THR CB C 13 69.9900 0.0000 . 1 . . . . B 212 THR CB . 36816 1 1413 . 2 . 2 12 12 THR CG2 C 13 21.6900 0.0000 . 1 . . . . B 212 THR CG2 . 36816 1 1414 . 2 . 2 13 13 LYS H H 1 8.3130 0.0000 . 1 . . . . B 213 LYS H . 36816 1 1415 . 2 . 2 13 13 LYS HA H 1 4.3250 0.0000 . 1 . . . . B 213 LYS HA . 36816 1 1416 . 2 . 2 13 13 LYS HB2 H 1 1.8060 0.0000 . 2 . . . . B 213 LYS HB2 . 36816 1 1417 . 2 . 2 13 13 LYS HB3 H 1 1.8440 0.0000 . 2 . . . . B 213 LYS HB3 . 36816 1 1418 . 2 . 2 13 13 LYS HD3 H 1 1.6040 0.0000 . 2 . . . . B 213 LYS HD3 . 36816 1 1419 . 2 . 2 13 13 LYS HE3 H 1 3.2710 0.0000 . 2 . . . . B 213 LYS HE3 . 36816 1 1420 . 2 . 2 13 13 LYS HG2 H 1 1.3900 0.0000 . 2 . . . . B 213 LYS HG2 . 36816 1 1421 . 2 . 2 13 13 LYS HG3 H 1 1.4380 0.0000 . 2 . . . . B 213 LYS HG3 . 36816 1 1422 . 2 . 2 14 14 ALA H H 1 8.3810 0.0000 . 1 . . . . B 214 ALA H . 36816 1 1423 . 2 . 2 14 14 ALA HA H 1 4.3650 0.0000 . 1 . . . . B 214 ALA HA . 36816 1 1424 . 2 . 2 14 14 ALA HB1 H 1 1.4510 0.0000 . 1 . . . . B 214 ALA HB1 . 36816 1 1425 . 2 . 2 14 14 ALA HB2 H 1 1.4510 0.0000 . 1 . . . . B 214 ALA HB2 . 36816 1 1426 . 2 . 2 14 14 ALA HB3 H 1 1.4510 0.0000 . 1 . . . . B 214 ALA HB3 . 36816 1 1427 . 2 . 2 14 14 ALA CA C 13 52.5800 0.0000 . 1 . . . . B 214 ALA CA . 36816 1 1428 . 2 . 2 15 15 ALA H H 1 7.9440 0.0000 . 1 . . . . B 215 ALA H . 36816 1 1429 . 2 . 2 15 15 ALA HA H 1 4.1660 0.0000 . 1 . . . . B 215 ALA HA . 36816 1 1430 . 2 . 2 15 15 ALA HB1 H 1 1.3920 0.0000 . 1 . . . . B 215 ALA HB1 . 36816 1 1431 . 2 . 2 15 15 ALA HB2 H 1 1.3920 0.0000 . 1 . . . . B 215 ALA HB2 . 36816 1 1432 . 2 . 2 15 15 ALA HB3 H 1 1.3920 0.0000 . 1 . . . . B 215 ALA HB3 . 36816 1 1433 . 2 . 2 15 15 ALA CA C 13 53.8400 0.0000 . 1 . . . . B 215 ALA CA . 36816 1 1434 . 2 . 2 15 15 ALA CB C 13 20.2300 0.0000 . 1 . . . . B 215 ALA CB . 36816 1 stop_ save_