data_36631 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 36631 _Entry.Title ; Ckappa domain of mouse immunoglobulin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-12-23 _Entry.Accession_date 2024-01-24 _Entry.Last_release_date 2024-01-24 _Entry.Original_release_date 2024-01-24 _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 S. Yanaka S. . . . 36631 2 A. Kodama A. . . . 36631 3 Y. Miyanoiri Y. . . . 36631 4 K. Kato K. . . . 36631 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'IMMUNE SYSTEM' . 36631 'STRUCTURE FROM CYANA 3.98.15' . 36631 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 36631 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 431 36631 '15N chemical shifts' 123 36631 '1H chemical shifts' 787 36631 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 . . 2026-02-06 . original BMRB . 36631 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 36630 'Ckappa domain of human immunoglobulin' 36631 BMRB 36633 'Clamda3 domain of human immunoglobulin' 36631 BMRB 36634 'Clamda1 domain of human immunoglobulin' 36631 PDB 8XKK 'BMRB Entry Tracking System' 36631 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 36631 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38564192 _Citation.DOI 10.1093/intimm/dxae017 _Citation.Full_citation . _Citation.Title ; Identification of potential C1-binding sites in the immunoglobulin CL domains. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. Immunol.' _Citation.Journal_name_full 'International immunology' _Citation.Journal_volume 36 _Citation.Journal_issue 8 _Citation.Journal_ASTM INIMEN _Citation.Journal_ISSN 0953-8178 _Citation.Journal_CSD 0759 _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 405 _Citation.Page_last 412 _Citation.Year 2024 _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 Saeko Yanaka S. . . . 36631 1 2 Atsuji Kodama A. . . . 36631 1 3 Shigetaka Nishiguchi S. . . . 36631 1 4 Rina Fujita R. . . . 36631 1 5 Jiana Shen J. . . . 36631 1 6 Pornthip Boonsri P. . . . 36631 1 7 Duckyong Sung D. . . . 36631 1 8 Yukiko Isono Y. . . . 36631 1 9 Hirokazu Yagi H. . . . 36631 1 10 Yohei Miyanoiri Y. . . . 36631 1 11 Takayuki Uchihashi T. . . . 36631 1 12 Koichi Kato K. . . . 36631 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 36631 _Assembly.ID 1 _Assembly.Name 'Immunoglobulin kappa constant' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 12568.637 _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 . . . . 'Ig kappa chain C region MOPC 21' . 36631 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 disulfide sing . 1 entity_1 1 CYS 26 26 SG . 1 entity_1 1 CYS 86 86 SG . . A 26 CYS SG . . A 86 CYS SG 36631 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 . CYS 26 26 HG A 26 CYS HG 36631 1 2 . 1 . CYS 86 86 HG A 86 CYS HG 36631 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 . . 36631 1 . 1 1 10 PHE 10 . A 10 PHE . middle . . 36631 1 . 1 1 100 SER 100 . A 100 SER . middle . . 36631 1 . 1 1 101 PHE 101 . A 101 PHE . middle . . 36631 1 . 1 1 102 ASN 102 . A 102 ASN . middle . . 36631 1 . 1 1 103 ARG 103 . A 103 ARG . middle . . 36631 1 . 1 1 104 ASN 104 . A 104 ASN . middle . . 36631 1 . 1 1 105 GLU 105 . A 105 GLU . middle . . 36631 1 . 1 1 106 SER 106 . A 106 SER . middle . . 36631 1 . 1 1 107 GLU 107 . A 107 GLU . middle . . 36631 1 . 1 1 108 ASN 108 . A 108 ASN . middle . . 36631 1 . 1 1 109 LEU 109 . A 109 LEU . middle . . 36631 1 . 1 1 11 PRO 11 . A 11 PRO . middle no . 36631 1 . 1 1 110 TYR 110 . A 110 TYR . middle . . 36631 1 . 1 1 111 PHE 111 . A 111 PHE . middle . . 36631 1 . 1 1 112 GLN 112 . A 112 GLN . end . . 36631 1 . 1 1 12 PRO 12 . A 12 PRO . middle no . 36631 1 . 1 1 13 SER 13 . A 13 SER . middle . . 36631 1 . 1 1 14 SER 14 . A 14 SER . middle . . 36631 1 . 1 1 15 GLU 15 . A 15 GLU . middle . . 36631 1 . 1 1 16 GLN 16 . A 16 GLN . middle . . 36631 1 . 1 1 17 LEU 17 . A 17 LEU . middle . . 36631 1 . 1 1 18 THR 18 . A 18 THR . middle . . 36631 1 . 1 1 19 SER 19 . A 19 SER . middle . . 36631 1 . 1 1 2 ASP 2 . A 2 ASP . middle . . 36631 1 . 1 1 20 GLY 20 . A 20 GLY . middle no . 36631 1 . 1 1 21 GLY 21 . A 21 GLY . middle no . 36631 1 . 1 1 22 ALA 22 . A 22 ALA . middle . . 36631 1 . 1 1 23 SER 23 . A 23 SER . middle . . 36631 1 . 1 1 24 VAL 24 . A 24 VAL . middle . . 36631 1 . 1 1 25 VAL 25 . A 25 VAL . middle . . 36631 1 . 1 1 26 CYS 26 . A 26 CYS . middle . . 36631 1 . 1 1 27 PHE 27 . A 27 PHE . middle . . 36631 1 . 1 1 28 LEU 28 . A 28 LEU . middle . . 36631 1 . 1 1 29 ASN 29 . A 29 ASN . middle . . 36631 1 . 1 1 3 ALA 3 . A 3 ALA . middle . . 36631 1 . 1 1 30 ASN 30 . A 30 ASN . middle . . 36631 1 . 1 1 31 PHE 31 . A 31 PHE . middle . . 36631 1 . 1 1 32 TYR 32 . A 32 TYR . middle . . 36631 1 . 1 1 33 PRO 33 . A 33 PRO . middle no . 36631 1 . 1 1 34 LYS 34 . A 34 LYS . middle . . 36631 1 . 1 1 35 ASP 35 . A 35 ASP . middle . . 36631 1 . 1 1 36 ILE 36 . A 36 ILE . middle . . 36631 1 . 1 1 37 ASN 37 . A 37 ASN . middle . . 36631 1 . 1 1 38 VAL 38 . A 38 VAL . middle . . 36631 1 . 1 1 39 LYS 39 . A 39 LYS . middle . . 36631 1 . 1 1 4 ALA 4 . A 4 ALA . middle . . 36631 1 . 1 1 40 TRP 40 . A 40 TRP . middle . . 36631 1 . 1 1 41 LYS 41 . A 41 LYS . middle . . 36631 1 . 1 1 42 ILE 42 . A 42 ILE . middle . . 36631 1 . 1 1 43 ASP 43 . A 43 ASP . middle . . 36631 1 . 1 1 44 GLY 44 . A 44 GLY . middle no . 36631 1 . 1 1 45 SER 45 . A 45 SER . middle . . 36631 1 . 1 1 46 GLU 46 . A 46 GLU . middle . . 36631 1 . 1 1 47 ARG 47 . A 47 ARG . middle . . 36631 1 . 1 1 48 GLN 48 . A 48 GLN . middle . . 36631 1 . 1 1 49 ASN 49 . A 49 ASN . middle . . 36631 1 . 1 1 5 PRO 5 . A 5 PRO . middle no . 36631 1 . 1 1 50 GLY 50 . A 50 GLY . middle no . 36631 1 . 1 1 51 VAL 51 . A 51 VAL . middle . . 36631 1 . 1 1 52 LEU 52 . A 52 LEU . middle . . 36631 1 . 1 1 53 ASN 53 . A 53 ASN . middle . . 36631 1 . 1 1 54 SER 54 . A 54 SER . middle . . 36631 1 . 1 1 55 TRP 55 . A 55 TRP . middle . . 36631 1 . 1 1 56 THR 56 . A 56 THR . middle . . 36631 1 . 1 1 57 ASP 57 . A 57 ASP . middle . . 36631 1 . 1 1 58 GLN 58 . A 58 GLN . middle . . 36631 1 . 1 1 59 ASP 59 . A 59 ASP . middle . . 36631 1 . 1 1 6 THR 6 . A 6 THR . middle . . 36631 1 . 1 1 60 SER 60 . A 60 SER . middle . . 36631 1 . 1 1 61 LYS 61 . A 61 LYS . middle . . 36631 1 . 1 1 62 ASP 62 . A 62 ASP . middle . . 36631 1 . 1 1 63 SER 63 . A 63 SER . middle . . 36631 1 . 1 1 64 THR 64 . A 64 THR . middle . . 36631 1 . 1 1 65 TYR 65 . A 65 TYR . middle . . 36631 1 . 1 1 66 SER 66 . A 66 SER . middle . . 36631 1 . 1 1 67 MET 67 . A 67 MET . middle . . 36631 1 . 1 1 68 SER 68 . A 68 SER . middle . . 36631 1 . 1 1 69 SER 69 . A 69 SER . middle . . 36631 1 . 1 1 7 VAL 7 . A 7 VAL . middle . . 36631 1 . 1 1 70 THR 70 . A 70 THR . middle . . 36631 1 . 1 1 71 LEU 71 . A 71 LEU . middle . . 36631 1 . 1 1 72 THR 72 . A 72 THR . middle . . 36631 1 . 1 1 73 LEU 73 . A 73 LEU . middle . . 36631 1 . 1 1 74 THR 74 . A 74 THR . middle . . 36631 1 . 1 1 75 LYS 75 . A 75 LYS . middle . . 36631 1 . 1 1 76 ASP 76 . A 76 ASP . middle . . 36631 1 . 1 1 77 GLU 77 . A 77 GLU . middle . . 36631 1 . 1 1 78 TYR 78 . A 78 TYR . middle . . 36631 1 . 1 1 79 GLU 79 . A 79 GLU . middle . . 36631 1 . 1 1 8 SER 8 . A 8 SER . middle . . 36631 1 . 1 1 80 ARG 80 . A 80 ARG . middle . . 36631 1 . 1 1 81 HIS 81 . A 81 HIS . middle . . 36631 1 . 1 1 82 ASN 82 . A 82 ASN . middle . . 36631 1 . 1 1 83 SER 83 . A 83 SER . middle . . 36631 1 . 1 1 84 TYR 84 . A 84 TYR . middle . . 36631 1 . 1 1 85 THR 85 . A 85 THR . middle . . 36631 1 . 1 1 86 CYS 86 . A 86 CYS . middle . . 36631 1 . 1 1 87 GLU 87 . A 87 GLU . middle . . 36631 1 . 1 1 88 ALA 88 . A 88 ALA . middle . . 36631 1 . 1 1 89 THR 89 . A 89 THR . middle . . 36631 1 . 1 1 9 ILE 9 . A 9 ILE . middle . . 36631 1 . 1 1 90 HIS 90 . A 90 HIS . middle . . 36631 1 . 1 1 91 LYS 91 . A 91 LYS . middle . . 36631 1 . 1 1 92 THR 92 . A 92 THR . middle . . 36631 1 . 1 1 93 SER 93 . A 93 SER . middle . . 36631 1 . 1 1 94 THR 94 . A 94 THR . middle . . 36631 1 . 1 1 95 SER 95 . A 95 SER . middle . . 36631 1 . 1 1 96 PRO 96 . A 96 PRO . middle no . 36631 1 . 1 1 97 ILE 97 . A 97 ILE . middle . . 36631 1 . 1 1 98 VAL 98 . A 98 VAL . middle . . 36631 1 . 1 1 99 LYS 99 . A 99 LYS . middle . . 36631 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 36631 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Immunoglobulin kappa constant' _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 ; ADAAPTVSIFPPSSEQLTSG GASVVCFLNNFYPKDINVKW KIDGSERQNGVLNSWTDQDS KDSTYSMSSTLTLTKDEYER HNSYTCEATHKTSTSPIVKS FNRNESENLYFQ ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12568.637 _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 'Ig kappa chain C region MOPC 21' common 36631 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 . 36631 1 2 2 ASP . 36631 1 3 3 ALA . 36631 1 4 4 ALA . 36631 1 5 5 PRO . 36631 1 6 6 THR . 36631 1 7 7 VAL . 36631 1 8 8 SER . 36631 1 9 9 ILE . 36631 1 10 10 PHE . 36631 1 11 11 PRO . 36631 1 12 12 PRO . 36631 1 13 13 SER . 36631 1 14 14 SER . 36631 1 15 15 GLU . 36631 1 16 16 GLN . 36631 1 17 17 LEU . 36631 1 18 18 THR . 36631 1 19 19 SER . 36631 1 20 20 GLY . 36631 1 21 21 GLY . 36631 1 22 22 ALA . 36631 1 23 23 SER . 36631 1 24 24 VAL . 36631 1 25 25 VAL . 36631 1 26 26 CYS . 36631 1 27 27 PHE . 36631 1 28 28 LEU . 36631 1 29 29 ASN . 36631 1 30 30 ASN . 36631 1 31 31 PHE . 36631 1 32 32 TYR . 36631 1 33 33 PRO . 36631 1 34 34 LYS . 36631 1 35 35 ASP . 36631 1 36 36 ILE . 36631 1 37 37 ASN . 36631 1 38 38 VAL . 36631 1 39 39 LYS . 36631 1 40 40 TRP . 36631 1 41 41 LYS . 36631 1 42 42 ILE . 36631 1 43 43 ASP . 36631 1 44 44 GLY . 36631 1 45 45 SER . 36631 1 46 46 GLU . 36631 1 47 47 ARG . 36631 1 48 48 GLN . 36631 1 49 49 ASN . 36631 1 50 50 GLY . 36631 1 51 51 VAL . 36631 1 52 52 LEU . 36631 1 53 53 ASN . 36631 1 54 54 SER . 36631 1 55 55 TRP . 36631 1 56 56 THR . 36631 1 57 57 ASP . 36631 1 58 58 GLN . 36631 1 59 59 ASP . 36631 1 60 60 SER . 36631 1 61 61 LYS . 36631 1 62 62 ASP . 36631 1 63 63 SER . 36631 1 64 64 THR . 36631 1 65 65 TYR . 36631 1 66 66 SER . 36631 1 67 67 MET . 36631 1 68 68 SER . 36631 1 69 69 SER . 36631 1 70 70 THR . 36631 1 71 71 LEU . 36631 1 72 72 THR . 36631 1 73 73 LEU . 36631 1 74 74 THR . 36631 1 75 75 LYS . 36631 1 76 76 ASP . 36631 1 77 77 GLU . 36631 1 78 78 TYR . 36631 1 79 79 GLU . 36631 1 80 80 ARG . 36631 1 81 81 HIS . 36631 1 82 82 ASN . 36631 1 83 83 SER . 36631 1 84 84 TYR . 36631 1 85 85 THR . 36631 1 86 86 CYS . 36631 1 87 87 GLU . 36631 1 88 88 ALA . 36631 1 89 89 THR . 36631 1 90 90 HIS . 36631 1 91 91 LYS . 36631 1 92 92 THR . 36631 1 93 93 SER . 36631 1 94 94 THR . 36631 1 95 95 SER . 36631 1 96 96 PRO . 36631 1 97 97 ILE . 36631 1 98 98 VAL . 36631 1 99 99 LYS . 36631 1 100 100 SER . 36631 1 101 101 PHE . 36631 1 102 102 ASN . 36631 1 103 103 ARG . 36631 1 104 104 ASN . 36631 1 105 105 GLU . 36631 1 106 106 SER . 36631 1 107 107 GLU . 36631 1 108 108 ASN . 36631 1 109 109 LEU . 36631 1 110 110 TYR . 36631 1 111 111 PHE . 36631 1 112 112 GLN . 36631 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 36631 1 . ASP 2 2 36631 1 . ALA 3 3 36631 1 . ALA 4 4 36631 1 . PRO 5 5 36631 1 . THR 6 6 36631 1 . VAL 7 7 36631 1 . SER 8 8 36631 1 . ILE 9 9 36631 1 . PHE 10 10 36631 1 . PRO 11 11 36631 1 . PRO 12 12 36631 1 . SER 13 13 36631 1 . SER 14 14 36631 1 . GLU 15 15 36631 1 . GLN 16 16 36631 1 . LEU 17 17 36631 1 . THR 18 18 36631 1 . SER 19 19 36631 1 . GLY 20 20 36631 1 . GLY 21 21 36631 1 . ALA 22 22 36631 1 . SER 23 23 36631 1 . VAL 24 24 36631 1 . VAL 25 25 36631 1 . CYS 26 26 36631 1 . PHE 27 27 36631 1 . LEU 28 28 36631 1 . ASN 29 29 36631 1 . ASN 30 30 36631 1 . PHE 31 31 36631 1 . TYR 32 32 36631 1 . PRO 33 33 36631 1 . LYS 34 34 36631 1 . ASP 35 35 36631 1 . ILE 36 36 36631 1 . ASN 37 37 36631 1 . VAL 38 38 36631 1 . LYS 39 39 36631 1 . TRP 40 40 36631 1 . LYS 41 41 36631 1 . ILE 42 42 36631 1 . ASP 43 43 36631 1 . GLY 44 44 36631 1 . SER 45 45 36631 1 . GLU 46 46 36631 1 . ARG 47 47 36631 1 . GLN 48 48 36631 1 . ASN 49 49 36631 1 . GLY 50 50 36631 1 . VAL 51 51 36631 1 . LEU 52 52 36631 1 . ASN 53 53 36631 1 . SER 54 54 36631 1 . TRP 55 55 36631 1 . THR 56 56 36631 1 . ASP 57 57 36631 1 . GLN 58 58 36631 1 . ASP 59 59 36631 1 . SER 60 60 36631 1 . LYS 61 61 36631 1 . ASP 62 62 36631 1 . SER 63 63 36631 1 . THR 64 64 36631 1 . TYR 65 65 36631 1 . SER 66 66 36631 1 . MET 67 67 36631 1 . SER 68 68 36631 1 . SER 69 69 36631 1 . THR 70 70 36631 1 . LEU 71 71 36631 1 . THR 72 72 36631 1 . LEU 73 73 36631 1 . THR 74 74 36631 1 . LYS 75 75 36631 1 . ASP 76 76 36631 1 . GLU 77 77 36631 1 . TYR 78 78 36631 1 . GLU 79 79 36631 1 . ARG 80 80 36631 1 . HIS 81 81 36631 1 . ASN 82 82 36631 1 . SER 83 83 36631 1 . TYR 84 84 36631 1 . THR 85 85 36631 1 . CYS 86 86 36631 1 . GLU 87 87 36631 1 . ALA 88 88 36631 1 . THR 89 89 36631 1 . HIS 90 90 36631 1 . LYS 91 91 36631 1 . THR 92 92 36631 1 . SER 93 93 36631 1 . THR 94 94 36631 1 . SER 95 95 36631 1 . PRO 96 96 36631 1 . ILE 97 97 36631 1 . VAL 98 98 36631 1 . LYS 99 99 36631 1 . SER 100 100 36631 1 . PHE 101 101 36631 1 . ASN 102 102 36631 1 . ARG 103 103 36631 1 . ASN 104 104 36631 1 . GLU 105 105 36631 1 . SER 106 106 36631 1 . GLU 107 107 36631 1 . ASN 108 108 36631 1 . LEU 109 109 36631 1 . TYR 110 110 36631 1 . PHE 111 111 36631 1 . GLN 112 112 36631 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 36631 _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 . 10090 organism . 'Mus musculus' 'house mouse' . . . Metazoa Mus musculus . . . . . . . . . . . Igkc . 36631 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 36631 _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 . . . . . . . . . . 36631 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 36631 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.6 mM [U-13C; U-15N] Ckappa domain of mouse immunoglobulin, 5 mM NaPi, 50 mM sodium chloride, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ckappa domain of mouse immunoglobulin' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 1.6 . . mM . . . . 36631 1 2 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 36631 1 3 NaPi 'natural abundance' . . . . . buffer 5 . . mM . . . . 36631 1 4 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36631 1 5 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36631 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 36631 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.6 mM [U-13C; U-15N] Ckappa domain of mouse immunoglobulin, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ckappa domain of mouse immunoglobulin' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 1.6 . . mM . . . . 36631 2 2 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36631 2 3 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36631 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 36631 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.6 mM [U-13C; U-15N] Ckappa domain of mouse immunoglobulin, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Ckappa domain of mouse immunoglobulin' '[U-13C; U-15N]' 1 $assembly 1 $entity_1 . protein 1.6 . . mM . . . . 36631 3 2 H2O 'natural abundance' . . . . . solvent 95 . . % . . . . 36631 3 3 D2O [U-2H] . . . . . solvent 5 . . % . . . . 36631 3 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 36631 _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' . 'Not defined' 36631 1 pH 6.0 . pH 36631 1 pressure 1 . Pa 36631 1 temperature 298 . K 36631 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 36631 _Software.ID 1 _Software.Type . _Software.Name ARTINA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Klukowski, P., Riek, R. and Guntert, P.' . . 36631 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 36631 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 36631 _Software.ID 2 _Software.Type . _Software.Name ARTINA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Klukowski, P., Riek, R. and Guntert, P.' . . 36631 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 36631 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 36631 _Software.ID 3 _Software.Type . _Software.Name ARTINA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Klukowski, P., Riek, R. and Guntert, P.' . . 36631 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 36631 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 36631 _Software.ID 4 _Software.Type . _Software.Name ARTINA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Klukowski, P., Riek, R. and Guntert, P.' . . 36631 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 36631 4 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 36631 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 36631 _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 NEO' . 800 . . . 36631 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 36631 _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 '2D 1H-15N HSQC' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36631 1 2 '3D C(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36631 1 3 '3D CBCA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36631 1 4 '3D HNCACB' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36631 1 5 '3D HCACO' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36631 1 6 '3D HNCO' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36631 1 7 '3D HN(CO)CA' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36631 1 8 '3D HNCA' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36631 1 9 '3D HBHA(CO)NH' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36631 1 10 '3D CCH-TOCSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36631 1 11 '3D 1H-15N NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36631 1 12 '3D 1H-13C NOESY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36631 1 13 '3D 1H-15N TOCSY' . . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 36631 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 36631 _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 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 36631 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 36631 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 36631 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 36631 _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 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36631 1 2 '3D C(CO)NH' 1 $sample_1 isotropic 36631 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 36631 1 4 '3D HNCACB' 1 $sample_1 isotropic 36631 1 5 '3D HCACO' 1 $sample_1 isotropic 36631 1 6 '3D HNCO' 1 $sample_1 isotropic 36631 1 7 '3D HN(CO)CA' 1 $sample_1 isotropic 36631 1 8 '3D HNCA' 1 $sample_1 isotropic 36631 1 9 '3D HBHA(CO)NH' 1 $sample_1 isotropic 36631 1 10 '3D CCH-TOCSY' 1 $sample_1 isotropic 36631 1 11 '3D 1H-15N NOESY' 1 $sample_1 isotropic 36631 1 12 '3D 1H-13C NOESY' 1 $sample_1 isotropic 36631 1 13 '3D 1H-15N TOCSY' 1 $sample_1 isotropic 36631 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 H H 1 8.302 . . . . . . . A 1 ALA H1 . 36631 1 2 . 1 . 1 1 1 ALA HA H 1 4.292 . . 1 . . . . A 1 ALA HA . 36631 1 3 . 1 . 1 1 1 ALA HB1 H 1 1.363 . . 1 . . . . A 1 ALA HB1 . 36631 1 4 . 1 . 1 1 1 ALA HB2 H 1 1.363 . . 1 . . . . A 1 ALA HB2 . 36631 1 5 . 1 . 1 1 1 ALA HB3 H 1 1.363 . . 1 . . . . A 1 ALA HB3 . 36631 1 6 . 1 . 1 1 1 ALA C C 13 174.667 . . 1 . . . . A 1 ALA C . 36631 1 7 . 1 . 1 1 1 ALA CA C 13 49.266 . . 1 . . . . A 1 ALA CA . 36631 1 8 . 1 . 1 1 1 ALA CB C 13 16.845 . . 1 . . . . A 1 ALA CB . 36631 1 9 . 1 . 1 1 1 ALA N N 15 118.299 . . 1 . . . . A 1 ALA N . 36631 1 10 . 1 . 1 2 2 ASP H H 1 8.538 . . 1 . . . . A 2 ASP H . 36631 1 11 . 1 . 1 2 2 ASP HA H 1 4.702 . . 1 . . . . A 2 ASP HA . 36631 1 12 . 1 . 1 2 2 ASP HB2 H 1 2.519 . . . . . . . A 2 ASP HB2 . 36631 1 13 . 1 . 1 2 2 ASP HB3 H 1 2.681 . . . . . . . A 2 ASP HB3 . 36631 1 14 . 1 . 1 2 2 ASP C C 13 173.538 . . 1 . . . . A 2 ASP C . 36631 1 15 . 1 . 1 2 2 ASP CA C 13 52.680 . . 1 . . . . A 2 ASP CA . 36631 1 16 . 1 . 1 2 2 ASP CB C 13 38.592 . . 1 . . . . A 2 ASP CB . 36631 1 17 . 1 . 1 2 2 ASP N N 15 121.670 . . 1 . . . . A 2 ASP N . 36631 1 18 . 1 . 1 3 3 ALA H H 1 9.860 . . 1 . . . . A 3 ALA H . 36631 1 19 . 1 . 1 3 3 ALA HA H 1 4.711 . . 1 . . . . A 3 ALA HA . 36631 1 20 . 1 . 1 3 3 ALA HB1 H 1 1.380 . . 1 . . . . A 3 ALA HB1 . 36631 1 21 . 1 . 1 3 3 ALA HB2 H 1 1.380 . . 1 . . . . A 3 ALA HB2 . 36631 1 22 . 1 . 1 3 3 ALA HB3 H 1 1.380 . . 1 . . . . A 3 ALA HB3 . 36631 1 23 . 1 . 1 3 3 ALA C C 13 172.558 . . 1 . . . . A 3 ALA C . 36631 1 24 . 1 . 1 3 3 ALA CA C 13 49.199 . . 1 . . . . A 3 ALA CA . 36631 1 25 . 1 . 1 3 3 ALA CB C 13 19.279 . . 1 . . . . A 3 ALA CB . 36631 1 26 . 1 . 1 3 3 ALA N N 15 125.257 . . 1 . . . . A 3 ALA N . 36631 1 27 . 1 . 1 4 4 ALA H H 1 8.689 . . 1 . . . . A 4 ALA H . 36631 1 28 . 1 . 1 4 4 ALA HA H 1 4.524 . . 1 . . . . A 4 ALA HA . 36631 1 29 . 1 . 1 4 4 ALA HB1 H 1 1.308 . . 1 . . . . A 4 ALA HB1 . 36631 1 30 . 1 . 1 4 4 ALA HB2 H 1 1.308 . . 1 . . . . A 4 ALA HB2 . 36631 1 31 . 1 . 1 4 4 ALA HB3 H 1 1.308 . . 1 . . . . A 4 ALA HB3 . 36631 1 32 . 1 . 1 4 4 ALA C C 13 171.579 . . 1 . . . . A 4 ALA C . 36631 1 33 . 1 . 1 4 4 ALA CA C 13 47.372 . . 1 . . . . A 4 ALA CA . 36631 1 34 . 1 . 1 4 4 ALA CB C 13 15.510 . . 1 . . . . A 4 ALA CB . 36631 1 35 . 1 . 1 4 4 ALA N N 15 127.302 . . 1 . . . . A 4 ALA N . 36631 1 36 . 1 . 1 5 5 PRO HA H 1 4.483 . . 1 . . . . A 5 PRO HA . 36631 1 37 . 1 . 1 5 5 PRO HB2 H 1 1.318 . . . . . . . A 5 PRO HB2 . 36631 1 38 . 1 . 1 5 5 PRO HB3 H 1 1.514 . . . . . . . A 5 PRO HB3 . 36631 1 39 . 1 . 1 5 5 PRO HG2 H 1 0.984 . . . . . . . A 5 PRO HG2 . 36631 1 40 . 1 . 1 5 5 PRO HG3 H 1 1.596 . . . . . . . A 5 PRO HG3 . 36631 1 41 . 1 . 1 5 5 PRO HD2 H 1 2.746 . . . . . . . A 5 PRO HD2 . 36631 1 42 . 1 . 1 5 5 PRO HD3 H 1 3.375 . . . . . . . A 5 PRO HD3 . 36631 1 43 . 1 . 1 5 5 PRO CA C 13 59.326 . . 1 . . . . A 5 PRO CA . 36631 1 44 . 1 . 1 5 5 PRO CB C 13 29.164 . . 1 . . . . A 5 PRO CB . 36631 1 45 . 1 . 1 5 5 PRO CG C 13 23.546 . . 1 . . . . A 5 PRO CG . 36631 1 46 . 1 . 1 5 5 PRO CD C 13 46.696 . . 1 . . . . A 5 PRO CD . 36631 1 47 . 1 . 1 6 6 THR H H 1 8.809 . . 1 . . . . A 6 THR H . 36631 1 48 . 1 . 1 6 6 THR HA H 1 4.410 . . 1 . . . . A 6 THR HA . 36631 1 49 . 1 . 1 6 6 THR HB H 1 4.067 . . 1 . . . . A 6 THR HB . 36631 1 50 . 1 . 1 6 6 THR HG1 H 1 5.425 . . 1 . . . . A 6 THR HG1 . 36631 1 51 . 1 . 1 6 6 THR HG21 H 1 1.188 . . 1 . . . . A 6 THR HG21 . 36631 1 52 . 1 . 1 6 6 THR HG22 H 1 1.188 . . 1 . . . . A 6 THR HG22 . 36631 1 53 . 1 . 1 6 6 THR HG23 H 1 1.188 . . 1 . . . . A 6 THR HG23 . 36631 1 54 . 1 . 1 6 6 THR C C 13 172.942 . . 1 . . . . A 6 THR C . 36631 1 55 . 1 . 1 6 6 THR CA C 13 59.741 . . 1 . . . . A 6 THR CA . 36631 1 56 . 1 . 1 6 6 THR CB C 13 66.807 . . 1 . . . . A 6 THR CB . 36631 1 57 . 1 . 1 6 6 THR CG2 C 13 18.605 . . 1 . . . . A 6 THR CG2 . 36631 1 58 . 1 . 1 6 6 THR N N 15 116.739 . . 1 . . . . A 6 THR N . 36631 1 59 . 1 . 1 7 7 VAL H H 1 7.998 . . 1 . . . . A 7 VAL H . 36631 1 60 . 1 . 1 7 7 VAL HA H 1 5.168 . . 1 . . . . A 7 VAL HA . 36631 1 61 . 1 . 1 7 7 VAL HB H 1 1.618 . . 1 . . . . A 7 VAL HB . 36631 1 62 . 1 . 1 7 7 VAL HG11 H 1 0.656 . . . . . . . A 7 VAL HG11 . 36631 1 63 . 1 . 1 7 7 VAL HG12 H 1 0.656 . . . . . . . A 7 VAL HG12 . 36631 1 64 . 1 . 1 7 7 VAL HG13 H 1 0.656 . . . . . . . A 7 VAL HG13 . 36631 1 65 . 1 . 1 7 7 VAL HG21 H 1 0.658 . . . . . . . A 7 VAL HG21 . 36631 1 66 . 1 . 1 7 7 VAL HG22 H 1 0.658 . . . . . . . A 7 VAL HG22 . 36631 1 67 . 1 . 1 7 7 VAL HG23 H 1 0.658 . . . . . . . A 7 VAL HG23 . 36631 1 68 . 1 . 1 7 7 VAL C C 13 172.164 . . 1 . . . . A 7 VAL C . 36631 1 69 . 1 . 1 7 7 VAL CA C 13 58.615 . . 1 . . . . A 7 VAL CA . 36631 1 70 . 1 . 1 7 7 VAL CB C 13 31.187 . . 1 . . . . A 7 VAL CB . 36631 1 71 . 1 . 1 7 7 VAL CG1 C 13 18.643 . . . . . . . A 7 VAL CG1 . 36631 1 72 . 1 . 1 7 7 VAL CG2 C 13 18.651 . . . . . . . A 7 VAL CG2 . 36631 1 73 . 1 . 1 7 7 VAL N N 15 117.414 . . 1 . . . . A 7 VAL N . 36631 1 74 . 1 . 1 8 8 SER H H 1 8.818 . . 1 . . . . A 8 SER H . 36631 1 75 . 1 . 1 8 8 SER HA H 1 5.172 . . 1 . . . . A 8 SER HA . 36631 1 76 . 1 . 1 8 8 SER HB2 H 1 3.643 . . . . . . . A 8 SER HB2 . 36631 1 77 . 1 . 1 8 8 SER HB3 H 1 3.690 . . . . . . . A 8 SER HB3 . 36631 1 78 . 1 . 1 8 8 SER HG H 1 4.718 . . 1 . . . . A 8 SER HG . 36631 1 79 . 1 . 1 8 8 SER C C 13 168.407 . . 1 . . . . A 8 SER C . 36631 1 80 . 1 . 1 8 8 SER CA C 13 58.659 . . 1 . . . . A 8 SER CA . 36631 1 81 . 1 . 1 8 8 SER CB C 13 63.641 . . 1 . . . . A 8 SER CB . 36631 1 82 . 1 . 1 8 8 SER N N 15 121.352 . . 1 . . . . A 8 SER N . 36631 1 83 . 1 . 1 9 9 ILE H H 1 8.818 . . 1 . . . . A 9 ILE H . 36631 1 84 . 1 . 1 9 9 ILE HA H 1 5.495 . . 1 . . . . A 9 ILE HA . 36631 1 85 . 1 . 1 9 9 ILE HB H 1 1.461 . . 1 . . . . A 9 ILE HB . 36631 1 86 . 1 . 1 9 9 ILE HG12 H 1 1.018 . . . . . . . A 9 ILE HG12 . 36631 1 87 . 1 . 1 9 9 ILE HG13 H 1 1.755 . . . . . . . A 9 ILE HG13 . 36631 1 88 . 1 . 1 9 9 ILE HG21 H 1 0.809 . . 1 . . . . A 9 ILE HG21 . 36631 1 89 . 1 . 1 9 9 ILE HG22 H 1 0.809 . . 1 . . . . A 9 ILE HG22 . 36631 1 90 . 1 . 1 9 9 ILE HG23 H 1 0.809 . . 1 . . . . A 9 ILE HG23 . 36631 1 91 . 1 . 1 9 9 ILE HD11 H 1 0.925 . . 1 . . . . A 9 ILE HD11 . 36631 1 92 . 1 . 1 9 9 ILE HD12 H 1 0.925 . . 1 . . . . A 9 ILE HD12 . 36631 1 93 . 1 . 1 9 9 ILE HD13 H 1 0.925 . . 1 . . . . A 9 ILE HD13 . 36631 1 94 . 1 . 1 9 9 ILE C C 13 172.098 . . 1 . . . . A 9 ILE C . 36631 1 95 . 1 . 1 9 9 ILE CA C 13 56.124 . . 1 . . . . A 9 ILE CA . 36631 1 96 . 1 . 1 9 9 ILE CB C 13 39.849 . . 1 . . . . A 9 ILE CB . 36631 1 97 . 1 . 1 9 9 ILE CG1 C 13 26.743 . . 1 . . . . A 9 ILE CG1 . 36631 1 98 . 1 . 1 9 9 ILE CG2 C 13 13.037 . . 1 . . . . A 9 ILE CG2 . 36631 1 99 . 1 . 1 9 9 ILE CD1 C 13 12.366 . . 1 . . . . A 9 ILE CD1 . 36631 1 100 . 1 . 1 9 9 ILE N N 15 121.352 . . 1 . . . . A 9 ILE N . 36631 1 101 . 1 . 1 10 10 PHE H H 1 8.087 . . 1 . . . . A 10 PHE H . 36631 1 102 . 1 . 1 10 10 PHE HA H 1 4.935 . . 1 . . . . A 10 PHE HA . 36631 1 103 . 1 . 1 10 10 PHE HB2 H 1 2.823 . . . . . . . A 10 PHE HB2 . 36631 1 104 . 1 . 1 10 10 PHE HB3 H 1 2.845 . . . . . . . A 10 PHE HB3 . 36631 1 105 . 1 . 1 10 10 PHE HD1 H 1 7.143 . . . . . . . A 10 PHE HD1 . 36631 1 106 . 1 . 1 10 10 PHE HD2 H 1 7.163 . . . . . . . A 10 PHE HD2 . 36631 1 107 . 1 . 1 10 10 PHE HE1 H 1 7.144 . . . . . . . A 10 PHE HE1 . 36631 1 108 . 1 . 1 10 10 PHE HE2 H 1 7.152 . . . . . . . A 10 PHE HE2 . 36631 1 109 . 1 . 1 10 10 PHE HZ H 1 8.472 . . 1 . . . . A 10 PHE HZ . 36631 1 110 . 1 . 1 10 10 PHE CA C 13 51.752 . . 1 . . . . A 10 PHE CA . 36631 1 111 . 1 . 1 10 10 PHE CB C 13 38.628 . . 1 . . . . A 10 PHE CB . 36631 1 112 . 1 . 1 11 11 PRO HA H 1 4.212 . . 1 . . . . A 11 PRO HA . 36631 1 113 . 1 . 1 11 11 PRO HB2 H 1 1.281 . . . . . . . A 11 PRO HB2 . 36631 1 114 . 1 . 1 11 11 PRO HB3 H 1 1.544 . . . . . . . A 11 PRO HB3 . 36631 1 115 . 1 . 1 11 11 PRO HG2 H 1 0.933 . . . . . . . A 11 PRO HG2 . 36631 1 116 . 1 . 1 11 11 PRO HG3 H 1 1.534 . . . . . . . A 11 PRO HG3 . 36631 1 117 . 1 . 1 11 11 PRO HD2 H 1 3.251 . . . . . . . A 11 PRO HD2 . 36631 1 118 . 1 . 1 11 11 PRO HD3 H 1 3.534 . . . . . . . A 11 PRO HD3 . 36631 1 119 . 1 . 1 11 11 PRO CA C 13 57.973 . . 1 . . . . A 11 PRO CA . 36631 1 120 . 1 . 1 11 11 PRO CB C 13 27.999 . . 1 . . . . A 11 PRO CB . 36631 1 121 . 1 . 1 11 11 PRO CG C 13 23.060 . . 1 . . . . A 11 PRO CG . 36631 1 122 . 1 . 1 11 11 PRO CD C 13 48.038 . . 1 . . . . A 11 PRO CD . 36631 1 123 . 1 . 1 12 12 PRO HA H 1 4.494 . . 1 . . . . A 12 PRO HA . 36631 1 124 . 1 . 1 12 12 PRO HB2 H 1 1.497 . . . . . . . A 12 PRO HB2 . 36631 1 125 . 1 . 1 12 12 PRO HB3 H 1 1.988 . . . . . . . A 12 PRO HB3 . 36631 1 126 . 1 . 1 12 12 PRO HG2 H 1 0.817 . . . . . . . A 12 PRO HG2 . 36631 1 127 . 1 . 1 12 12 PRO HG3 H 1 1.044 . . . . . . . A 12 PRO HG3 . 36631 1 128 . 1 . 1 12 12 PRO HD2 H 1 3.080 . . . . . . . A 12 PRO HD2 . 36631 1 129 . 1 . 1 12 12 PRO HD3 H 1 3.442 . . . . . . . A 12 PRO HD3 . 36631 1 130 . 1 . 1 12 12 PRO C C 13 174.404 . . 1 . . . . A 12 PRO C . 36631 1 131 . 1 . 1 12 12 PRO CA C 13 59.392 . . 1 . . . . A 12 PRO CA . 36631 1 132 . 1 . 1 12 12 PRO CB C 13 29.182 . . 1 . . . . A 12 PRO CB . 36631 1 133 . 1 . 1 12 12 PRO CG C 13 24.335 . . 1 . . . . A 12 PRO CG . 36631 1 134 . 1 . 1 12 12 PRO CD C 13 47.419 . . 1 . . . . A 12 PRO CD . 36631 1 135 . 1 . 1 13 13 SER H H 1 8.232 . . 1 . . . . A 13 SER H . 36631 1 136 . 1 . 1 13 13 SER HA H 1 4.468 . . 1 . . . . A 13 SER HA . 36631 1 137 . 1 . 1 13 13 SER HB2 H 1 3.938 . . . . . . . A 13 SER HB2 . 36631 1 138 . 1 . 1 13 13 SER HB3 H 1 4.289 . . . . . . . A 13 SER HB3 . 36631 1 139 . 1 . 1 13 13 SER HG H 1 4.698 . . 1 . . . . A 13 SER HG . 36631 1 140 . 1 . 1 13 13 SER C C 13 173.125 . . 1 . . . . A 13 SER C . 36631 1 141 . 1 . 1 13 13 SER CA C 13 54.257 . . 1 . . . . A 13 SER CA . 36631 1 142 . 1 . 1 13 13 SER CB C 13 62.405 . . 1 . . . . A 13 SER CB . 36631 1 143 . 1 . 1 13 13 SER N N 15 114.980 . . 1 . . . . A 13 SER N . 36631 1 144 . 1 . 1 14 14 SER H H 1 8.295 . . 1 . . . . A 14 SER H . 36631 1 145 . 1 . 1 14 14 SER HA H 1 4.088 . . 1 . . . . A 14 SER HA . 36631 1 146 . 1 . 1 14 14 SER HB2 H 1 3.882 . . . . . . . A 14 SER HB2 . 36631 1 147 . 1 . 1 14 14 SER HB3 H 1 4.698 . . . . . . . A 14 SER HB3 . 36631 1 148 . 1 . 1 14 14 SER HG H 1 2.201 . . 1 . . . . A 14 SER HG . 36631 1 149 . 1 . 1 14 14 SER C C 13 174.570 . . 1 . . . . A 14 SER C . 36631 1 150 . 1 . 1 14 14 SER CA C 13 59.239 . . 1 . . . . A 14 SER CA . 36631 1 151 . 1 . 1 14 14 SER CB C 13 59.879 . . 1 . . . . A 14 SER CB . 36631 1 152 . 1 . 1 14 14 SER N N 15 117.966 . . 1 . . . . A 14 SER N . 36631 1 153 . 1 . 1 15 15 GLU H H 1 8.657 . . 1 . . . . A 15 GLU H . 36631 1 154 . 1 . 1 15 15 GLU HA H 1 3.990 . . 1 . . . . A 15 GLU HA . 36631 1 155 . 1 . 1 15 15 GLU HB2 H 1 1.872 . . . . . . . A 15 GLU HB2 . 36631 1 156 . 1 . 1 15 15 GLU HB3 H 1 1.980 . . . . . . . A 15 GLU HB3 . 36631 1 157 . 1 . 1 15 15 GLU HG2 H 1 0.811 . . . . . . . A 15 GLU HG2 . 36631 1 158 . 1 . 1 15 15 GLU HG3 H 1 2.226 . . . . . . . A 15 GLU HG3 . 36631 1 159 . 1 . 1 15 15 GLU C C 13 176.391 . . 1 . . . . A 15 GLU C . 36631 1 160 . 1 . 1 15 15 GLU CA C 13 56.846 . . 1 . . . . A 15 GLU CA . 36631 1 161 . 1 . 1 15 15 GLU CB C 13 26.496 . . 1 . . . . A 15 GLU CB . 36631 1 162 . 1 . 1 15 15 GLU CG C 13 33.716 . . 1 . . . . A 15 GLU CG . 36631 1 163 . 1 . 1 15 15 GLU N N 15 121.158 . . 1 . . . . A 15 GLU N . 36631 1 164 . 1 . 1 16 16 GLN H H 1 7.819 . . 1 . . . . A 16 GLN H . 36631 1 165 . 1 . 1 16 16 GLN HA H 1 3.904 . . 1 . . . . A 16 GLN HA . 36631 1 166 . 1 . 1 16 16 GLN HB2 H 1 2.079 . . . . . . . A 16 GLN HB2 . 36631 1 167 . 1 . 1 16 16 GLN HB3 H 1 2.247 . . . . . . . A 16 GLN HB3 . 36631 1 168 . 1 . 1 16 16 GLN HG2 H 1 2.247 . . . . . . . A 16 GLN HG2 . 36631 1 169 . 1 . 1 16 16 GLN HG3 H 1 2.247 . . . . . . . A 16 GLN HG3 . 36631 1 170 . 1 . 1 16 16 GLN HE21 H 1 6.874 . . . . . . . A 16 GLN HE21 . 36631 1 171 . 1 . 1 16 16 GLN HE22 H 1 7.348 . . . . . . . A 16 GLN HE22 . 36631 1 172 . 1 . 1 16 16 GLN C C 13 176.549 . . 1 . . . . A 16 GLN C . 36631 1 173 . 1 . 1 16 16 GLN CA C 13 56.099 . . 1 . . . . A 16 GLN CA . 36631 1 174 . 1 . 1 16 16 GLN CB C 13 25.319 . . 1 . . . . A 16 GLN CB . 36631 1 175 . 1 . 1 16 16 GLN CG C 13 31.075 . . 1 . . . . A 16 GLN CG . 36631 1 176 . 1 . 1 16 16 GLN N N 15 121.359 . . 1 . . . . A 16 GLN N . 36631 1 177 . 1 . 1 16 16 GLN NE2 N 15 110.820 . . 1 . . . . A 16 GLN NE2 . 36631 1 178 . 1 . 1 17 17 LEU H H 1 7.871 . . 1 . . . . A 17 LEU H . 36631 1 179 . 1 . 1 17 17 LEU HA H 1 4.367 . . 1 . . . . A 17 LEU HA . 36631 1 180 . 1 . 1 17 17 LEU HB2 H 1 1.373 . . . . . . . A 17 LEU HB2 . 36631 1 181 . 1 . 1 17 17 LEU HB3 H 1 1.867 . . . . . . . A 17 LEU HB3 . 36631 1 182 . 1 . 1 17 17 LEU HG H 1 1.606 . . 1 . . . . A 17 LEU HG . 36631 1 183 . 1 . 1 17 17 LEU HD11 H 1 0.716 . . . . . . . A 17 LEU HD11 . 36631 1 184 . 1 . 1 17 17 LEU HD12 H 1 0.716 . . . . . . . A 17 LEU HD12 . 36631 1 185 . 1 . 1 17 17 LEU HD13 H 1 0.716 . . . . . . . A 17 LEU HD13 . 36631 1 186 . 1 . 1 17 17 LEU HD21 H 1 0.803 . . . . . . . A 17 LEU HD21 . 36631 1 187 . 1 . 1 17 17 LEU HD22 H 1 0.803 . . . . . . . A 17 LEU HD22 . 36631 1 188 . 1 . 1 17 17 LEU HD23 H 1 0.803 . . . . . . . A 17 LEU HD23 . 36631 1 189 . 1 . 1 17 17 LEU C C 13 177.905 . . 1 . . . . A 17 LEU C . 36631 1 190 . 1 . 1 17 17 LEU CA C 13 55.400 . . 1 . . . . A 17 LEU CA . 36631 1 191 . 1 . 1 17 17 LEU CB C 13 39.277 . . 1 . . . . A 17 LEU CB . 36631 1 192 . 1 . 1 17 17 LEU CG C 13 24.766 . . 1 . . . . A 17 LEU CG . 36631 1 193 . 1 . 1 17 17 LEU CD1 C 13 21.029 . . . . . . . A 17 LEU CD1 . 36631 1 194 . 1 . 1 17 17 LEU CD2 C 13 22.963 . . . . . . . A 17 LEU CD2 . 36631 1 195 . 1 . 1 17 17 LEU N N 15 120.777 . . 1 . . . . A 17 LEU N . 36631 1 196 . 1 . 1 18 18 THR H H 1 8.036 . . 1 . . . . A 18 THR H . 36631 1 197 . 1 . 1 18 18 THR HA H 1 3.988 . . 1 . . . . A 18 THR HA . 36631 1 198 . 1 . 1 18 18 THR HB H 1 4.250 . . 1 . . . . A 18 THR HB . 36631 1 199 . 1 . 1 18 18 THR HG1 H 1 2.928 . . 1 . . . . A 18 THR HG1 . 36631 1 200 . 1 . 1 18 18 THR HG21 H 1 1.247 . . 1 . . . . A 18 THR HG21 . 36631 1 201 . 1 . 1 18 18 THR HG22 H 1 1.247 . . 1 . . . . A 18 THR HG22 . 36631 1 202 . 1 . 1 18 18 THR HG23 H 1 1.247 . . 1 . . . . A 18 THR HG23 . 36631 1 203 . 1 . 1 18 18 THR C C 13 172.891 . . 1 . . . . A 18 THR C . 36631 1 204 . 1 . 1 18 18 THR CA C 13 62.922 . . 1 . . . . A 18 THR CA . 36631 1 205 . 1 . 1 18 18 THR CB C 13 66.273 . . 1 . . . . A 18 THR CB . 36631 1 206 . 1 . 1 18 18 THR CG2 C 13 19.192 . . 1 . . . . A 18 THR CG2 . 36631 1 207 . 1 . 1 18 18 THR N N 15 113.821 . . 1 . . . . A 18 THR N . 36631 1 208 . 1 . 1 19 19 SER H H 1 7.659 . . 1 . . . . A 19 SER H . 36631 1 209 . 1 . 1 19 19 SER HA H 1 4.496 . . 1 . . . . A 19 SER HA . 36631 1 210 . 1 . 1 19 19 SER HB2 H 1 3.945 . . . . . . . A 19 SER HB2 . 36631 1 211 . 1 . 1 19 19 SER HB3 H 1 4.034 . . . . . . . A 19 SER HB3 . 36631 1 212 . 1 . 1 19 19 SER HG H 1 3.591 . . 1 . . . . A 19 SER HG . 36631 1 213 . 1 . 1 19 19 SER C C 13 172.069 . . 1 . . . . A 19 SER C . 36631 1 214 . 1 . 1 19 19 SER CA C 13 56.562 . . 1 . . . . A 19 SER CA . 36631 1 215 . 1 . 1 19 19 SER CB C 13 61.727 . . 1 . . . . A 19 SER CB . 36631 1 216 . 1 . 1 19 19 SER N N 15 115.870 . . 1 . . . . A 19 SER N . 36631 1 217 . 1 . 1 20 20 GLY H H 1 7.971 . . 1 . . . . A 20 GLY H . 36631 1 218 . 1 . 1 20 20 GLY HA2 H 1 3.619 . . . . . . . A 20 GLY HA2 . 36631 1 219 . 1 . 1 20 20 GLY HA3 H 1 4.396 . . . . . . . A 20 GLY HA3 . 36631 1 220 . 1 . 1 20 20 GLY C C 13 171.432 . . 1 . . . . A 20 GLY C . 36631 1 221 . 1 . 1 20 20 GLY CA C 13 42.997 . . 1 . . . . A 20 GLY CA . 36631 1 222 . 1 . 1 20 20 GLY N N 15 108.609 . . 1 . . . . A 20 GLY N . 36631 1 223 . 1 . 1 21 21 GLY H H 1 7.854 . . 1 . . . . A 21 GLY H . 36631 1 224 . 1 . 1 21 21 GLY HA2 H 1 3.539 . . . . . . . A 21 GLY HA2 . 36631 1 225 . 1 . 1 21 21 GLY HA3 H 1 4.405 . . . . . . . A 21 GLY HA3 . 36631 1 226 . 1 . 1 21 21 GLY C C 13 167.460 . . 1 . . . . A 21 GLY C . 36631 1 227 . 1 . 1 21 21 GLY CA C 13 41.709 . . 1 . . . . A 21 GLY CA . 36631 1 228 . 1 . 1 21 21 GLY N N 15 111.394 . . 1 . . . . A 21 GLY N . 36631 1 229 . 1 . 1 22 22 ALA H H 1 7.803 . . 1 . . . . A 22 ALA H . 36631 1 230 . 1 . 1 22 22 ALA HA H 1 3.908 . . 1 . . . . A 22 ALA HA . 36631 1 231 . 1 . 1 22 22 ALA HB1 H 1 0.489 . . 1 . . . . A 22 ALA HB1 . 36631 1 232 . 1 . 1 22 22 ALA HB2 H 1 0.489 . . 1 . . . . A 22 ALA HB2 . 36631 1 233 . 1 . 1 22 22 ALA HB3 H 1 0.489 . . 1 . . . . A 22 ALA HB3 . 36631 1 234 . 1 . 1 22 22 ALA C C 13 171.700 . . 1 . . . . A 22 ALA C . 36631 1 235 . 1 . 1 22 22 ALA CA C 13 48.647 . . 1 . . . . A 22 ALA CA . 36631 1 236 . 1 . 1 22 22 ALA CB C 13 18.669 . . 1 . . . . A 22 ALA CB . 36631 1 237 . 1 . 1 22 22 ALA N N 15 118.919 . . 1 . . . . A 22 ALA N . 36631 1 238 . 1 . 1 23 23 SER H H 1 7.669 . . 1 . . . . A 23 SER H . 36631 1 239 . 1 . 1 23 23 SER HA H 1 5.071 . . 1 . . . . A 23 SER HA . 36631 1 240 . 1 . 1 23 23 SER HB2 H 1 3.341 . . . . . . . A 23 SER HB2 . 36631 1 241 . 1 . 1 23 23 SER HB3 H 1 3.482 . . . . . . . A 23 SER HB3 . 36631 1 242 . 1 . 1 23 23 SER HG H 1 5.078 . . 1 . . . . A 23 SER HG . 36631 1 243 . 1 . 1 23 23 SER C C 13 169.649 . . 1 . . . . A 23 SER C . 36631 1 244 . 1 . 1 23 23 SER CA C 13 54.365 . . 1 . . . . A 23 SER CA . 36631 1 245 . 1 . 1 23 23 SER CB C 13 61.080 . . 1 . . . . A 23 SER CB . 36631 1 246 . 1 . 1 23 23 SER N N 15 116.444 . . 1 . . . . A 23 SER N . 36631 1 247 . 1 . 1 24 24 VAL H H 1 8.757 . . 1 . . . . A 24 VAL H . 36631 1 248 . 1 . 1 24 24 VAL HA H 1 4.093 . . 1 . . . . A 24 VAL HA . 36631 1 249 . 1 . 1 24 24 VAL HB H 1 1.664 . . 1 . . . . A 24 VAL HB . 36631 1 250 . 1 . 1 24 24 VAL HG11 H 1 0.484 . . . . . . . A 24 VAL HG11 . 36631 1 251 . 1 . 1 24 24 VAL HG12 H 1 0.484 . . . . . . . A 24 VAL HG12 . 36631 1 252 . 1 . 1 24 24 VAL HG13 H 1 0.484 . . . . . . . A 24 VAL HG13 . 36631 1 253 . 1 . 1 24 24 VAL HG21 H 1 1.122 . . . . . . . A 24 VAL HG21 . 36631 1 254 . 1 . 1 24 24 VAL HG22 H 1 1.122 . . . . . . . A 24 VAL HG22 . 36631 1 255 . 1 . 1 24 24 VAL HG23 H 1 1.122 . . . . . . . A 24 VAL HG23 . 36631 1 256 . 1 . 1 24 24 VAL C C 13 171.453 . . 1 . . . . A 24 VAL C . 36631 1 257 . 1 . 1 24 24 VAL CA C 13 58.296 . . 1 . . . . A 24 VAL CA . 36631 1 258 . 1 . 1 24 24 VAL CB C 13 29.757 . . 1 . . . . A 24 VAL CB . 36631 1 259 . 1 . 1 24 24 VAL CG1 C 13 18.564 . . . . . . . A 24 VAL CG1 . 36631 1 260 . 1 . 1 24 24 VAL CG2 C 13 21.125 . . . . . . . A 24 VAL CG2 . 36631 1 261 . 1 . 1 24 24 VAL N N 15 126.839 . . 1 . . . . A 24 VAL N . 36631 1 262 . 1 . 1 25 25 VAL H H 1 8.091 . . 1 . . . . A 25 VAL H . 36631 1 263 . 1 . 1 25 25 VAL HA H 1 5.074 . . 1 . . . . A 25 VAL HA . 36631 1 264 . 1 . 1 25 25 VAL HB H 1 1.800 . . 1 . . . . A 25 VAL HB . 36631 1 265 . 1 . 1 25 25 VAL HG11 H 1 0.672 . . . . . . . A 25 VAL HG11 . 36631 1 266 . 1 . 1 25 25 VAL HG12 H 1 0.672 . . . . . . . A 25 VAL HG12 . 36631 1 267 . 1 . 1 25 25 VAL HG13 H 1 0.672 . . . . . . . A 25 VAL HG13 . 36631 1 268 . 1 . 1 25 25 VAL HG21 H 1 0.669 . . . . . . . A 25 VAL HG21 . 36631 1 269 . 1 . 1 25 25 VAL HG22 H 1 0.669 . . . . . . . A 25 VAL HG22 . 36631 1 270 . 1 . 1 25 25 VAL HG23 H 1 0.669 . . . . . . . A 25 VAL HG23 . 36631 1 271 . 1 . 1 25 25 VAL C C 13 171.378 . . 1 . . . . A 25 VAL C . 36631 1 272 . 1 . 1 25 25 VAL CA C 13 58.582 . . 1 . . . . A 25 VAL CA . 36631 1 273 . 1 . 1 25 25 VAL CB C 13 32.907 . . 1 . . . . A 25 VAL CB . 36631 1 274 . 1 . 1 25 25 VAL CG1 C 13 18.624 . . . . . . . A 25 VAL CG1 . 36631 1 275 . 1 . 1 25 25 VAL CG2 C 13 18.624 . . . . . . . A 25 VAL CG2 . 36631 1 276 . 1 . 1 25 25 VAL N N 15 124.779 . . 1 . . . . A 25 VAL N . 36631 1 277 . 1 . 1 26 26 CYS H H 1 9.563 . . 1 . . . . A 26 CYS H . 36631 1 278 . 1 . 1 26 26 CYS HA H 1 5.459 . . 1 . . . . A 26 CYS HA . 36631 1 279 . 1 . 1 26 26 CYS HB2 H 1 2.931 . . . . . . . A 26 CYS HB2 . 36631 1 280 . 1 . 1 26 26 CYS HB3 H 1 2.929 . . . . . . . A 26 CYS HB3 . 36631 1 281 . 1 . 1 26 26 CYS C C 13 170.130 . . 1 . . . . A 26 CYS C . 36631 1 282 . 1 . 1 26 26 CYS CA C 13 50.547 . . 1 . . . . A 26 CYS CA . 36631 1 283 . 1 . 1 26 26 CYS CB C 13 41.123 . . 1 . . . . A 26 CYS CB . 36631 1 284 . 1 . 1 26 26 CYS N N 15 126.392 . . 1 . . . . A 26 CYS N . 36631 1 285 . 1 . 1 27 27 PHE H H 1 7.091 . . 1 . . . . A 27 PHE H . 36631 1 286 . 1 . 1 27 27 PHE HA H 1 4.869 . . 1 . . . . A 27 PHE HA . 36631 1 287 . 1 . 1 27 27 PHE HB2 H 1 2.939 . . . . . . . A 27 PHE HB2 . 36631 1 288 . 1 . 1 27 27 PHE HB3 H 1 3.133 . . . . . . . A 27 PHE HB3 . 36631 1 289 . 1 . 1 27 27 PHE HD1 H 1 6.705 . . . . . . . A 27 PHE HD1 . 36631 1 290 . 1 . 1 27 27 PHE HD2 H 1 7.673 . . . . . . . A 27 PHE HD2 . 36631 1 291 . 1 . 1 27 27 PHE HE1 H 1 7.083 . . . . . . . A 27 PHE HE1 . 36631 1 292 . 1 . 1 27 27 PHE HZ H 1 7.082 . . 1 . . . . A 27 PHE HZ . 36631 1 293 . 1 . 1 27 27 PHE C C 13 169.137 . . 1 . . . . A 27 PHE C . 36631 1 294 . 1 . 1 27 27 PHE CA C 13 54.265 . . 1 . . . . A 27 PHE CA . 36631 1 295 . 1 . 1 27 27 PHE CB C 13 39.411 . . 1 . . . . A 27 PHE CB . 36631 1 296 . 1 . 1 27 27 PHE N N 15 115.447 . . 1 . . . . A 27 PHE N . 36631 1 297 . 1 . 1 28 28 LEU H H 1 8.504 . . 1 . . . . A 28 LEU H . 36631 1 298 . 1 . 1 28 28 LEU HA H 1 4.870 . . 1 . . . . A 28 LEU HA . 36631 1 299 . 1 . 1 28 28 LEU HB2 H 1 0.933 . . . . . . . A 28 LEU HB2 . 36631 1 300 . 1 . 1 28 28 LEU HB3 H 1 1.669 . . . . . . . A 28 LEU HB3 . 36631 1 301 . 1 . 1 28 28 LEU HG H 1 1.373 . . 1 . . . . A 28 LEU HG . 36631 1 302 . 1 . 1 28 28 LEU HD11 H 1 0.559 . . . . . . . A 28 LEU HD11 . 36631 1 303 . 1 . 1 28 28 LEU HD12 H 1 0.559 . . . . . . . A 28 LEU HD12 . 36631 1 304 . 1 . 1 28 28 LEU HD13 H 1 0.559 . . . . . . . A 28 LEU HD13 . 36631 1 305 . 1 . 1 28 28 LEU HD21 H 1 0.395 . . . . . . . A 28 LEU HD21 . 36631 1 306 . 1 . 1 28 28 LEU HD22 H 1 0.395 . . . . . . . A 28 LEU HD22 . 36631 1 307 . 1 . 1 28 28 LEU HD23 H 1 0.395 . . . . . . . A 28 LEU HD23 . 36631 1 308 . 1 . 1 28 28 LEU C C 13 171.951 . . 1 . . . . A 28 LEU C . 36631 1 309 . 1 . 1 28 28 LEU CA C 13 51.693 . . 1 . . . . A 28 LEU CA . 36631 1 310 . 1 . 1 28 28 LEU CB C 13 39.248 . . 1 . . . . A 28 LEU CB . 36631 1 311 . 1 . 1 28 28 LEU CG C 13 25.485 . . 1 . . . . A 28 LEU CG . 36631 1 312 . 1 . 1 28 28 LEU CD1 C 13 23.059 . . . . . . . A 28 LEU CD1 . 36631 1 313 . 1 . 1 28 28 LEU CD2 C 13 25.500 . . . . . . . A 28 LEU CD2 . 36631 1 314 . 1 . 1 28 28 LEU N N 15 121.396 . . 1 . . . . A 28 LEU N . 36631 1 315 . 1 . 1 29 29 ASN H H 1 8.745 . . 1 . . . . A 29 ASN H . 36631 1 316 . 1 . 1 29 29 ASN HA H 1 5.304 . . 1 . . . . A 29 ASN HA . 36631 1 317 . 1 . 1 29 29 ASN HB2 H 1 2.532 . . . . . . . A 29 ASN HB2 . 36631 1 318 . 1 . 1 29 29 ASN HB3 H 1 2.573 . . . . . . . A 29 ASN HB3 . 36631 1 319 . 1 . 1 29 29 ASN HD21 H 1 7.806 . . . . . . . A 29 ASN HD21 . 36631 1 320 . 1 . 1 29 29 ASN HD22 H 1 8.413 . . . . . . . A 29 ASN HD22 . 36631 1 321 . 1 . 1 29 29 ASN C C 13 172.198 . . 1 . . . . A 29 ASN C . 36631 1 322 . 1 . 1 29 29 ASN CA C 13 49.919 . . 1 . . . . A 29 ASN CA . 36631 1 323 . 1 . 1 29 29 ASN CB C 13 39.512 . . 1 . . . . A 29 ASN CB . 36631 1 324 . 1 . 1 29 29 ASN N N 15 119.699 . . 1 . . . . A 29 ASN N . 36631 1 325 . 1 . 1 29 29 ASN ND2 N 15 118.984 . . 1 . . . . A 29 ASN ND2 . 36631 1 326 . 1 . 1 30 30 ASN H H 1 8.416 . . 1 . . . . A 30 ASN H . 36631 1 327 . 1 . 1 30 30 ASN HA H 1 4.089 . . 1 . . . . A 30 ASN HA . 36631 1 328 . 1 . 1 30 30 ASN HB2 H 1 2.787 . . . . . . . A 30 ASN HB2 . 36631 1 329 . 1 . 1 30 30 ASN HB3 H 1 2.830 . . . . . . . A 30 ASN HB3 . 36631 1 330 . 1 . 1 30 30 ASN HD21 H 1 6.684 . . . . . . . A 30 ASN HD21 . 36631 1 331 . 1 . 1 30 30 ASN HD22 H 1 7.374 . . . . . . . A 30 ASN HD22 . 36631 1 332 . 1 . 1 30 30 ASN C C 13 169.566 . . 1 . . . . A 30 ASN C . 36631 1 333 . 1 . 1 30 30 ASN CA C 13 51.739 . . 1 . . . . A 30 ASN CA . 36631 1 334 . 1 . 1 30 30 ASN CB C 13 34.885 . . 1 . . . . A 30 ASN CB . 36631 1 335 . 1 . 1 30 30 ASN N N 15 118.992 . . 1 . . . . A 30 ASN N . 36631 1 336 . 1 . 1 30 30 ASN ND2 N 15 112.271 . . 1 . . . . A 30 ASN ND2 . 36631 1 337 . 1 . 1 31 31 PHE H H 1 8.644 . . 1 . . . . A 31 PHE H . 36631 1 338 . 1 . 1 31 31 PHE HA H 1 5.136 . . 1 . . . . A 31 PHE HA . 36631 1 339 . 1 . 1 31 31 PHE HB2 H 1 1.935 . . . . . . . A 31 PHE HB2 . 36631 1 340 . 1 . 1 31 31 PHE HB3 H 1 2.502 . . . . . . . A 31 PHE HB3 . 36631 1 341 . 1 . 1 31 31 PHE HD1 H 1 6.925 . . . . . . . A 31 PHE HD1 . 36631 1 342 . 1 . 1 31 31 PHE HD2 H 1 7.197 . . . . . . . A 31 PHE HD2 . 36631 1 343 . 1 . 1 31 31 PHE HE1 H 1 6.960 . . . . . . . A 31 PHE HE1 . 36631 1 344 . 1 . 1 31 31 PHE HE2 H 1 7.421 . . . . . . . A 31 PHE HE2 . 36631 1 345 . 1 . 1 31 31 PHE HZ H 1 6.972 . . 1 . . . . A 31 PHE HZ . 36631 1 346 . 1 . 1 31 31 PHE C C 13 172.036 . . 1 . . . . A 31 PHE C . 36631 1 347 . 1 . 1 31 31 PHE CA C 13 51.694 . . 1 . . . . A 31 PHE CA . 36631 1 348 . 1 . 1 31 31 PHE CB C 13 39.916 . . 1 . . . . A 31 PHE CB . 36631 1 349 . 1 . 1 31 31 PHE N N 15 113.298 . . 1 . . . . A 31 PHE N . 36631 1 350 . 1 . 1 32 32 TYR H H 1 9.387 . . 1 . . . . A 32 TYR H . 36631 1 351 . 1 . 1 32 32 TYR HA H 1 4.426 . . 1 . . . . A 32 TYR HA . 36631 1 352 . 1 . 1 32 32 TYR HB2 H 1 3.026 . . . . . . . A 32 TYR HB2 . 36631 1 353 . 1 . 1 32 32 TYR HB3 H 1 3.038 . . . . . . . A 32 TYR HB3 . 36631 1 354 . 1 . 1 32 32 TYR HD1 H 1 7.027 . . . . . . . A 32 TYR HD1 . 36631 1 355 . 1 . 1 32 32 TYR HD2 H 1 7.219 . . . . . . . A 32 TYR HD2 . 36631 1 356 . 1 . 1 32 32 TYR HE1 H 1 7.026 . . . . . . . A 32 TYR HE1 . 36631 1 357 . 1 . 1 32 32 TYR HE2 H 1 8.031 . . . . . . . A 32 TYR HE2 . 36631 1 358 . 1 . 1 32 32 TYR HH H 1 8.031 . . 1 . . . . A 32 TYR HH . 36631 1 359 . 1 . 1 32 32 TYR C C 13 171.900 . . 1 . . . . A 32 TYR C . 36631 1 360 . 1 . 1 32 32 TYR CA C 13 56.157 . . 1 . . . . A 32 TYR CA . 36631 1 361 . 1 . 1 32 32 TYR CB C 13 39.871 . . 1 . . . . A 32 TYR CB . 36631 1 362 . 1 . 1 32 32 TYR N N 15 120.350 . . 1 . . . . A 32 TYR N . 36631 1 363 . 1 . 1 33 33 PRO HA H 1 3.084 . . 1 . . . . A 33 PRO HA . 36631 1 364 . 1 . 1 33 33 PRO HB2 H 1 1.940 . . . . . . . A 33 PRO HB2 . 36631 1 365 . 1 . 1 33 33 PRO HB3 H 1 2.104 . . . . . . . A 33 PRO HB3 . 36631 1 366 . 1 . 1 33 33 PRO HG2 H 1 1.538 . . . . . . . A 33 PRO HG2 . 36631 1 367 . 1 . 1 33 33 PRO HG3 H 1 1.815 . . . . . . . A 33 PRO HG3 . 36631 1 368 . 1 . 1 33 33 PRO HD2 H 1 3.319 . . . . . . . A 33 PRO HD2 . 36631 1 369 . 1 . 1 33 33 PRO HD3 H 1 3.853 . . . . . . . A 33 PRO HD3 . 36631 1 370 . 1 . 1 33 33 PRO C C 13 172.959 . . 1 . . . . A 33 PRO C . 36631 1 371 . 1 . 1 33 33 PRO CA C 13 59.831 . . 1 . . . . A 33 PRO CA . 36631 1 372 . 1 . 1 33 33 PRO CB C 13 32.344 . . 1 . . . . A 33 PRO CB . 36631 1 373 . 1 . 1 33 33 PRO CG C 13 22.369 . . 1 . . . . A 33 PRO CG . 36631 1 374 . 1 . 1 33 33 PRO CD C 13 47.378 . . 1 . . . . A 33 PRO CD . 36631 1 375 . 1 . 1 34 34 LYS H H 1 8.015 . . 1 . . . . A 34 LYS H . 36631 1 376 . 1 . 1 34 34 LYS HA H 1 3.429 . . 1 . . . . A 34 LYS HA . 36631 1 377 . 1 . 1 34 34 LYS HB2 H 1 0.814 . . . . . . . A 34 LYS HB2 . 36631 1 378 . 1 . 1 34 34 LYS HB3 H 1 0.895 . . . . . . . A 34 LYS HB3 . 36631 1 379 . 1 . 1 34 34 LYS HG2 H 1 0.197 . . . . . . . A 34 LYS HG2 . 36631 1 380 . 1 . 1 34 34 LYS HG3 H 1 0.911 . . . . . . . A 34 LYS HG3 . 36631 1 381 . 1 . 1 34 34 LYS HD2 H 1 0.913 . . . . . . . A 34 LYS HD2 . 36631 1 382 . 1 . 1 34 34 LYS HD3 H 1 1.016 . . . . . . . A 34 LYS HD3 . 36631 1 383 . 1 . 1 34 34 LYS HE2 H 1 2.166 . . . . . . . A 34 LYS HE2 . 36631 1 384 . 1 . 1 34 34 LYS HE3 H 1 2.167 . . . . . . . A 34 LYS HE3 . 36631 1 385 . 1 . 1 34 34 LYS C C 13 172.590 . . 1 . . . . A 34 LYS C . 36631 1 386 . 1 . 1 34 34 LYS CA C 13 56.156 . . 1 . . . . A 34 LYS CA . 36631 1 387 . 1 . 1 34 34 LYS CB C 13 30.433 . . 1 . . . . A 34 LYS CB . 36631 1 388 . 1 . 1 34 34 LYS CG C 13 22.341 . . 1 . . . . A 34 LYS CG . 36631 1 389 . 1 . 1 34 34 LYS CD C 13 26.723 . . 1 . . . . A 34 LYS CD . 36631 1 390 . 1 . 1 34 34 LYS CE C 13 38.740 . . 1 . . . . A 34 LYS CE . 36631 1 391 . 1 . 1 34 34 LYS N N 15 117.333 . . 1 . . . . A 34 LYS N . 36631 1 392 . 1 . 1 35 35 ASP H H 1 7.182 . . 1 . . . . A 35 ASP H . 36631 1 393 . 1 . 1 35 35 ASP HA H 1 4.301 . . 1 . . . . A 35 ASP HA . 36631 1 394 . 1 . 1 35 35 ASP HB2 H 1 2.301 . . . . . . . A 35 ASP HB2 . 36631 1 395 . 1 . 1 35 35 ASP HB3 H 1 2.372 . . . . . . . A 35 ASP HB3 . 36631 1 396 . 1 . 1 35 35 ASP C C 13 171.394 . . 1 . . . . A 35 ASP C . 36631 1 397 . 1 . 1 35 35 ASP CA C 13 52.543 . . 1 . . . . A 35 ASP CA . 36631 1 398 . 1 . 1 35 35 ASP CB C 13 37.998 . . 1 . . . . A 35 ASP CB . 36631 1 399 . 1 . 1 35 35 ASP N N 15 114.046 . . 1 . . . . A 35 ASP N . 36631 1 400 . 1 . 1 36 36 ILE H H 1 7.910 . . 1 . . . . A 36 ILE H . 36631 1 401 . 1 . 1 36 36 ILE HA H 1 4.588 . . 1 . . . . A 36 ILE HA . 36631 1 402 . 1 . 1 36 36 ILE HB H 1 1.529 . . 1 . . . . A 36 ILE HB . 36631 1 403 . 1 . 1 36 36 ILE HG12 H 1 0.596 . . . . . . . A 36 ILE HG12 . 36631 1 404 . 1 . 1 36 36 ILE HG13 H 1 1.378 . . . . . . . A 36 ILE HG13 . 36631 1 405 . 1 . 1 36 36 ILE HG21 H 1 0.707 . . 1 . . . . A 36 ILE HG21 . 36631 1 406 . 1 . 1 36 36 ILE HG22 H 1 0.707 . . 1 . . . . A 36 ILE HG22 . 36631 1 407 . 1 . 1 36 36 ILE HG23 H 1 0.707 . . 1 . . . . A 36 ILE HG23 . 36631 1 408 . 1 . 1 36 36 ILE HD11 H 1 -0.354 . . 1 . . . . A 36 ILE HD11 . 36631 1 409 . 1 . 1 36 36 ILE HD12 H 1 -0.354 . . 1 . . . . A 36 ILE HD12 . 36631 1 410 . 1 . 1 36 36 ILE HD13 H 1 -0.354 . . 1 . . . . A 36 ILE HD13 . 36631 1 411 . 1 . 1 36 36 ILE C C 13 169.352 . . 1 . . . . A 36 ILE C . 36631 1 412 . 1 . 1 36 36 ILE CA C 13 57.778 . . 1 . . . . A 36 ILE CA . 36631 1 413 . 1 . 1 36 36 ILE CB C 13 38.540 . . 1 . . . . A 36 ILE CB . 36631 1 414 . 1 . 1 36 36 ILE CG1 C 13 26.110 . . 1 . . . . A 36 ILE CG1 . 36631 1 415 . 1 . 1 36 36 ILE CG2 C 13 14.196 . . 1 . . . . A 36 ILE CG2 . 36631 1 416 . 1 . 1 36 36 ILE CD1 C 13 11.105 . . 1 . . . . A 36 ILE CD1 . 36631 1 417 . 1 . 1 36 36 ILE N N 15 122.949 . . 1 . . . . A 36 ILE N . 36631 1 418 . 1 . 1 37 37 ASN H H 1 7.834 . . 1 . . . . A 37 ASN H . 36631 1 419 . 1 . 1 37 37 ASN HA H 1 5.036 . . 1 . . . . A 37 ASN HA . 36631 1 420 . 1 . 1 37 37 ASN HB2 H 1 2.561 . . . . . . . A 37 ASN HB2 . 36631 1 421 . 1 . 1 37 37 ASN HB3 H 1 2.562 . . . . . . . A 37 ASN HB3 . 36631 1 422 . 1 . 1 37 37 ASN HD21 H 1 6.745 . . . . . . . A 37 ASN HD21 . 36631 1 423 . 1 . 1 37 37 ASN HD22 H 1 7.481 . . . . . . . A 37 ASN HD22 . 36631 1 424 . 1 . 1 37 37 ASN C C 13 170.593 . . 1 . . . . A 37 ASN C . 36631 1 425 . 1 . 1 37 37 ASN CA C 13 49.796 . . 1 . . . . A 37 ASN CA . 36631 1 426 . 1 . 1 37 37 ASN CB C 13 39.838 . . 1 . . . . A 37 ASN CB . 36631 1 427 . 1 . 1 37 37 ASN N N 15 122.575 . . 1 . . . . A 37 ASN N . 36631 1 428 . 1 . 1 37 37 ASN ND2 N 15 113.577 . . 1 . . . . A 37 ASN ND2 . 36631 1 429 . 1 . 1 38 38 VAL H H 1 8.573 . . 1 . . . . A 38 VAL H . 36631 1 430 . 1 . 1 38 38 VAL HA H 1 4.701 . . 1 . . . . A 38 VAL HA . 36631 1 431 . 1 . 1 38 38 VAL HB H 1 1.634 . . 1 . . . . A 38 VAL HB . 36631 1 432 . 1 . 1 38 38 VAL HG11 H 1 0.568 . . . . . . . A 38 VAL HG11 . 36631 1 433 . 1 . 1 38 38 VAL HG12 H 1 0.568 . . . . . . . A 38 VAL HG12 . 36631 1 434 . 1 . 1 38 38 VAL HG13 H 1 0.568 . . . . . . . A 38 VAL HG13 . 36631 1 435 . 1 . 1 38 38 VAL HG21 H 1 0.560 . . . . . . . A 38 VAL HG21 . 36631 1 436 . 1 . 1 38 38 VAL HG22 H 1 0.560 . . . . . . . A 38 VAL HG22 . 36631 1 437 . 1 . 1 38 38 VAL HG23 H 1 0.560 . . . . . . . A 38 VAL HG23 . 36631 1 438 . 1 . 1 38 38 VAL C C 13 171.320 . . 1 . . . . A 38 VAL C . 36631 1 439 . 1 . 1 38 38 VAL CA C 13 58.267 . . 1 . . . . A 38 VAL CA . 36631 1 440 . 1 . 1 38 38 VAL CB C 13 31.724 . . 1 . . . . A 38 VAL CB . 36631 1 441 . 1 . 1 38 38 VAL CG1 C 13 19.881 . . . . . . . A 38 VAL CG1 . 36631 1 442 . 1 . 1 38 38 VAL CG2 C 13 19.883 . . . . . . . A 38 VAL CG2 . 36631 1 443 . 1 . 1 38 38 VAL N N 15 124.459 . . 1 . . . . A 38 VAL N . 36631 1 444 . 1 . 1 39 39 LYS H H 1 8.845 . . 1 . . . . A 39 LYS H . 36631 1 445 . 1 . 1 39 39 LYS HA H 1 4.649 . . 1 . . . . A 39 LYS HA . 36631 1 446 . 1 . 1 39 39 LYS HB2 H 1 1.521 . . . . . . . A 39 LYS HB2 . 36631 1 447 . 1 . 1 39 39 LYS HB3 H 1 1.524 . . . . . . . A 39 LYS HB3 . 36631 1 448 . 1 . 1 39 39 LYS HG2 H 1 1.215 . . . . . . . A 39 LYS HG2 . 36631 1 449 . 1 . 1 39 39 LYS HG3 H 1 1.275 . . . . . . . A 39 LYS HG3 . 36631 1 450 . 1 . 1 39 39 LYS HD2 H 1 0.815 . . . . . . . A 39 LYS HD2 . 36631 1 451 . 1 . 1 39 39 LYS HD3 H 1 1.458 . . . . . . . A 39 LYS HD3 . 36631 1 452 . 1 . 1 39 39 LYS HE2 H 1 2.798 . . . . . . . A 39 LYS HE2 . 36631 1 453 . 1 . 1 39 39 LYS HE3 H 1 2.816 . . . . . . . A 39 LYS HE3 . 36631 1 454 . 1 . 1 39 39 LYS C C 13 174.346 . . 1 . . . . A 39 LYS C . 36631 1 455 . 1 . 1 39 39 LYS CA C 13 51.754 . . 1 . . . . A 39 LYS CA . 36631 1 456 . 1 . 1 39 39 LYS CB C 13 34.127 . . 1 . . . . A 39 LYS CB . 36631 1 457 . 1 . 1 39 39 LYS CG C 13 21.858 . . 1 . . . . A 39 LYS CG . 36631 1 458 . 1 . 1 39 39 LYS CD C 13 26.610 . . 1 . . . . A 39 LYS CD . 36631 1 459 . 1 . 1 39 39 LYS CE C 13 39.136 . . 1 . . . . A 39 LYS CE . 36631 1 460 . 1 . 1 39 39 LYS N N 15 127.836 . . 1 . . . . A 39 LYS N . 36631 1 461 . 1 . 1 40 40 TRP H H 1 8.818 . . 1 . . . . A 40 TRP H . 36631 1 462 . 1 . 1 40 40 TRP HA H 1 5.301 . . 1 . . . . A 40 TRP HA . 36631 1 463 . 1 . 1 40 40 TRP HB2 H 1 2.856 . . . . . . . A 40 TRP HB2 . 36631 1 464 . 1 . 1 40 40 TRP HB3 H 1 3.047 . . . . . . . A 40 TRP HB3 . 36631 1 465 . 1 . 1 40 40 TRP HD1 H 1 6.968 . . 1 . . . . A 40 TRP HD1 . 36631 1 466 . 1 . 1 40 40 TRP HE1 H 1 9.866 . . 1 . . . . A 40 TRP HE1 . 36631 1 467 . 1 . 1 40 40 TRP HE3 H 1 7.311 . . 1 . . . . A 40 TRP HE3 . 36631 1 468 . 1 . 1 40 40 TRP HZ2 H 1 6.698 . . 1 . . . . A 40 TRP HZ2 . 36631 1 469 . 1 . 1 40 40 TRP HZ3 H 1 6.718 . . 1 . . . . A 40 TRP HZ3 . 36631 1 470 . 1 . 1 40 40 TRP HH2 H 1 7.535 . . 1 . . . . A 40 TRP HH2 . 36631 1 471 . 1 . 1 40 40 TRP C C 13 174.330 . . 1 . . . . A 40 TRP C . 36631 1 472 . 1 . 1 40 40 TRP CA C 13 53.612 . . 1 . . . . A 40 TRP CA . 36631 1 473 . 1 . 1 40 40 TRP CB C 13 29.310 . . 1 . . . . A 40 TRP CB . 36631 1 474 . 1 . 1 40 40 TRP N N 15 122.673 . . 1 . . . . A 40 TRP N . 36631 1 475 . 1 . 1 40 40 TRP NE1 N 15 127.075 . . 1 . . . . A 40 TRP NE1 . 36631 1 476 . 1 . 1 41 41 LYS H H 1 9.202 . . 1 . . . . A 41 LYS H . 36631 1 477 . 1 . 1 41 41 LYS HA H 1 4.852 . . 1 . . . . A 41 LYS HA . 36631 1 478 . 1 . 1 41 41 LYS HB2 H 1 1.082 . . . . . . . A 41 LYS HB2 . 36631 1 479 . 1 . 1 41 41 LYS HB3 H 1 1.325 . . . . . . . A 41 LYS HB3 . 36631 1 480 . 1 . 1 41 41 LYS HG2 H 1 0.810 . . . . . . . A 41 LYS HG2 . 36631 1 481 . 1 . 1 41 41 LYS HG3 H 1 0.993 . . . . . . . A 41 LYS HG3 . 36631 1 482 . 1 . 1 41 41 LYS HD2 H 1 1.261 . . . . . . . A 41 LYS HD2 . 36631 1 483 . 1 . 1 41 41 LYS HD3 H 1 1.281 . . . . . . . A 41 LYS HD3 . 36631 1 484 . 1 . 1 41 41 LYS HE2 H 1 2.404 . . . . . . . A 41 LYS HE2 . 36631 1 485 . 1 . 1 41 41 LYS HE3 H 1 2.696 . . . . . . . A 41 LYS HE3 . 36631 1 486 . 1 . 1 41 41 LYS C C 13 172.492 . . 1 . . . . A 41 LYS C . 36631 1 487 . 1 . 1 41 41 LYS CA C 13 51.732 . . 1 . . . . A 41 LYS CA . 36631 1 488 . 1 . 1 41 41 LYS CB C 13 34.509 . . 1 . . . . A 41 LYS CB . 36631 1 489 . 1 . 1 41 41 LYS CG C 13 22.988 . . 1 . . . . A 41 LYS CG . 36631 1 490 . 1 . 1 41 41 LYS CD C 13 26.820 . . 1 . . . . A 41 LYS CD . 36631 1 491 . 1 . 1 41 41 LYS CE C 13 39.271 . . 1 . . . . A 41 LYS CE . 36631 1 492 . 1 . 1 41 41 LYS N N 15 118.718 . . 1 . . . . A 41 LYS N . 36631 1 493 . 1 . 1 42 42 ILE H H 1 8.566 . . 1 . . . . A 42 ILE H . 36631 1 494 . 1 . 1 42 42 ILE HA H 1 4.464 . . 1 . . . . A 42 ILE HA . 36631 1 495 . 1 . 1 42 42 ILE HB H 1 1.278 . . 1 . . . . A 42 ILE HB . 36631 1 496 . 1 . 1 42 42 ILE HG12 H 1 0.823 . . . . . . . A 42 ILE HG12 . 36631 1 497 . 1 . 1 42 42 ILE HG13 H 1 1.274 . . . . . . . A 42 ILE HG13 . 36631 1 498 . 1 . 1 42 42 ILE HG21 H 1 -0.085 . . 1 . . . . A 42 ILE HG21 . 36631 1 499 . 1 . 1 42 42 ILE HG22 H 1 -0.085 . . 1 . . . . A 42 ILE HG22 . 36631 1 500 . 1 . 1 42 42 ILE HG23 H 1 -0.085 . . 1 . . . . A 42 ILE HG23 . 36631 1 501 . 1 . 1 42 42 ILE HD11 H 1 0.674 . . 1 . . . . A 42 ILE HD11 . 36631 1 502 . 1 . 1 42 42 ILE HD12 H 1 0.674 . . 1 . . . . A 42 ILE HD12 . 36631 1 503 . 1 . 1 42 42 ILE HD13 H 1 0.674 . . 1 . . . . A 42 ILE HD13 . 36631 1 504 . 1 . 1 42 42 ILE C C 13 174.009 . . 1 . . . . A 42 ILE C . 36631 1 505 . 1 . 1 42 42 ILE CA C 13 56.769 . . 1 . . . . A 42 ILE CA . 36631 1 506 . 1 . 1 42 42 ILE CB C 13 36.777 . . 1 . . . . A 42 ILE CB . 36631 1 507 . 1 . 1 42 42 ILE CG1 C 13 23.258 . . 1 . . . . A 42 ILE CG1 . 36631 1 508 . 1 . 1 42 42 ILE CG2 C 13 14.287 . . 1 . . . . A 42 ILE CG2 . 36631 1 509 . 1 . 1 42 42 ILE CD1 C 13 11.739 . . 1 . . . . A 42 ILE CD1 . 36631 1 510 . 1 . 1 42 42 ILE N N 15 120.900 . . 1 . . . . A 42 ILE N . 36631 1 511 . 1 . 1 43 43 ASP H H 1 9.707 . . 1 . . . . A 43 ASP H . 36631 1 512 . 1 . 1 43 43 ASP HA H 1 4.297 . . 1 . . . . A 43 ASP HA . 36631 1 513 . 1 . 1 43 43 ASP HB2 H 1 2.626 . . . . . . . A 43 ASP HB2 . 36631 1 514 . 1 . 1 43 43 ASP HB3 H 1 3.043 . . . . . . . A 43 ASP HB3 . 36631 1 515 . 1 . 1 43 43 ASP C C 13 173.529 . . 1 . . . . A 43 ASP C . 36631 1 516 . 1 . 1 43 43 ASP CA C 13 53.114 . . 1 . . . . A 43 ASP CA . 36631 1 517 . 1 . 1 43 43 ASP CB C 13 37.342 . . 1 . . . . A 43 ASP CB . 36631 1 518 . 1 . 1 43 43 ASP N N 15 129.967 . . 1 . . . . A 43 ASP N . 36631 1 519 . 1 . 1 44 44 GLY H H 1 8.297 . . 1 . . . . A 44 GLY H . 36631 1 520 . 1 . 1 44 44 GLY HA2 H 1 3.418 . . . . . . . A 44 GLY HA2 . 36631 1 521 . 1 . 1 44 44 GLY HA3 H 1 4.153 . . . . . . . A 44 GLY HA3 . 36631 1 522 . 1 . 1 44 44 GLY C C 13 171.229 . . 1 . . . . A 44 GLY C . 36631 1 523 . 1 . 1 44 44 GLY CA C 13 42.953 . . 1 . . . . A 44 GLY CA . 36631 1 524 . 1 . 1 44 44 GLY N N 15 101.731 . . 1 . . . . A 44 GLY N . 36631 1 525 . 1 . 1 45 45 SER H H 1 7.782 . . 1 . . . . A 45 SER H . 36631 1 526 . 1 . 1 45 45 SER HA H 1 4.671 . . 1 . . . . A 45 SER HA . 36631 1 527 . 1 . 1 45 45 SER HB2 H 1 3.696 . . . . . . . A 45 SER HB2 . 36631 1 528 . 1 . 1 45 45 SER HB3 H 1 3.713 . . . . . . . A 45 SER HB3 . 36631 1 529 . 1 . 1 45 45 SER HG H 1 4.201 . . 1 . . . . A 45 SER HG . 36631 1 530 . 1 . 1 45 45 SER C C 13 171.440 . . 1 . . . . A 45 SER C . 36631 1 531 . 1 . 1 45 45 SER CA C 13 54.536 . . 1 . . . . A 45 SER CA . 36631 1 532 . 1 . 1 45 45 SER CB C 13 61.765 . . 1 . . . . A 45 SER CB . 36631 1 533 . 1 . 1 45 45 SER N N 15 116.687 . . 1 . . . . A 45 SER N . 36631 1 534 . 1 . 1 46 46 GLU H H 1 8.985 . . 1 . . . . A 46 GLU H . 36631 1 535 . 1 . 1 46 46 GLU HA H 1 3.705 . . 1 . . . . A 46 GLU HA . 36631 1 536 . 1 . 1 46 46 GLU HB2 H 1 1.549 . . . . . . . A 46 GLU HB2 . 36631 1 537 . 1 . 1 46 46 GLU HB3 H 1 1.884 . . . . . . . A 46 GLU HB3 . 36631 1 538 . 1 . 1 46 46 GLU HG2 H 1 2.030 . . . . . . . A 46 GLU HG2 . 36631 1 539 . 1 . 1 46 46 GLU HG3 H 1 2.260 . . . . . . . A 46 GLU HG3 . 36631 1 540 . 1 . 1 46 46 GLU C C 13 173.143 . . 1 . . . . A 46 GLU C . 36631 1 541 . 1 . 1 46 46 GLU CA C 13 54.739 . . 1 . . . . A 46 GLU CA . 36631 1 542 . 1 . 1 46 46 GLU CB C 13 27.382 . . 1 . . . . A 46 GLU CB . 36631 1 543 . 1 . 1 46 46 GLU CG C 13 34.214 . . 1 . . . . A 46 GLU CG . 36631 1 544 . 1 . 1 46 46 GLU N N 15 127.713 . . 1 . . . . A 46 GLU N . 36631 1 545 . 1 . 1 47 47 ARG H H 1 8.411 . . 1 . . . . A 47 ARG H . 36631 1 546 . 1 . 1 47 47 ARG HA H 1 4.646 . . 1 . . . . A 47 ARG HA . 36631 1 547 . 1 . 1 47 47 ARG HB2 H 1 1.666 . . . . . . . A 47 ARG HB2 . 36631 1 548 . 1 . 1 47 47 ARG HB3 H 1 3.044 . . . . . . . A 47 ARG HB3 . 36631 1 549 . 1 . 1 47 47 ARG HG2 H 1 1.475 . . . . . . . A 47 ARG HG2 . 36631 1 550 . 1 . 1 47 47 ARG HG3 H 1 1.478 . . . . . . . A 47 ARG HG3 . 36631 1 551 . 1 . 1 47 47 ARG HD2 H 1 3.074 . . . . . . . A 47 ARG HD2 . 36631 1 552 . 1 . 1 47 47 ARG HD3 H 1 3.238 . . . . . . . A 47 ARG HD3 . 36631 1 553 . 1 . 1 47 47 ARG HE H 1 7.307 . . 1 . . . . A 47 ARG HE . 36631 1 554 . 1 . 1 47 47 ARG C C 13 171.612 . . 1 . . . . A 47 ARG C . 36631 1 555 . 1 . 1 47 47 ARG CA C 13 51.160 . . 1 . . . . A 47 ARG CA . 36631 1 556 . 1 . 1 47 47 ARG CB C 13 29.317 . . 1 . . . . A 47 ARG CB . 36631 1 557 . 1 . 1 47 47 ARG CG C 13 24.851 . . 1 . . . . A 47 ARG CG . 36631 1 558 . 1 . 1 47 47 ARG CD C 13 39.806 . . 1 . . . . A 47 ARG CD . 36631 1 559 . 1 . 1 47 47 ARG N N 15 126.607 . . 1 . . . . A 47 ARG N . 36631 1 560 . 1 . 1 48 48 GLN H H 1 8.827 . . 1 . . . . A 48 GLN H . 36631 1 561 . 1 . 1 48 48 GLN HA H 1 4.489 . . 1 . . . . A 48 GLN HA . 36631 1 562 . 1 . 1 48 48 GLN HB2 H 1 2.127 . . . . . . . A 48 GLN HB2 . 36631 1 563 . 1 . 1 48 48 GLN HB3 H 1 2.128 . . . . . . . A 48 GLN HB3 . 36631 1 564 . 1 . 1 48 48 GLN HG2 H 1 1.929 . . . . . . . A 48 GLN HG2 . 36631 1 565 . 1 . 1 48 48 GLN HG3 H 1 2.326 . . . . . . . A 48 GLN HG3 . 36631 1 566 . 1 . 1 48 48 GLN HE21 H 1 6.763 . . . . . . . A 48 GLN HE21 . 36631 1 567 . 1 . 1 48 48 GLN HE22 H 1 7.500 . . . . . . . A 48 GLN HE22 . 36631 1 568 . 1 . 1 48 48 GLN C C 13 173.166 . . 1 . . . . A 48 GLN C . 36631 1 569 . 1 . 1 48 48 GLN CA C 13 53.714 . . 1 . . . . A 48 GLN CA . 36631 1 570 . 1 . 1 48 48 GLN CB C 13 27.437 . . 1 . . . . A 48 GLN CB . 36631 1 571 . 1 . 1 48 48 GLN CG C 13 31.250 . . 1 . . . . A 48 GLN CG . 36631 1 572 . 1 . 1 48 48 GLN N N 15 123.851 . . 1 . . . . A 48 GLN N . 36631 1 573 . 1 . 1 48 48 GLN NE2 N 15 111.706 . . 1 . . . . A 48 GLN NE2 . 36631 1 574 . 1 . 1 49 49 ASN H H 1 7.962 . . 1 . . . . A 49 ASN H . 36631 1 575 . 1 . 1 49 49 ASN HA H 1 4.666 . . 1 . . . . A 49 ASN HA . 36631 1 576 . 1 . 1 49 49 ASN HB2 H 1 2.651 . . . . . . . A 49 ASN HB2 . 36631 1 577 . 1 . 1 49 49 ASN HB3 H 1 2.650 . . . . . . . A 49 ASN HB3 . 36631 1 578 . 1 . 1 49 49 ASN HD21 H 1 6.881 . . . . . . . A 49 ASN HD21 . 36631 1 579 . 1 . 1 49 49 ASN HD22 H 1 7.583 . . . . . . . A 49 ASN HD22 . 36631 1 580 . 1 . 1 49 49 ASN C C 13 172.713 . . 1 . . . . A 49 ASN C . 36631 1 581 . 1 . 1 49 49 ASN CA C 13 50.895 . . 1 . . . . A 49 ASN CA . 36631 1 582 . 1 . 1 49 49 ASN CB C 13 36.148 . . 1 . . . . A 49 ASN CB . 36631 1 583 . 1 . 1 49 49 ASN N N 15 117.253 . . 1 . . . . A 49 ASN N . 36631 1 584 . 1 . 1 49 49 ASN ND2 N 15 113.454 . . 1 . . . . A 49 ASN ND2 . 36631 1 585 . 1 . 1 50 50 GLY H H 1 8.756 . . 1 . . . . A 50 GLY H . 36631 1 586 . 1 . 1 50 50 GLY HA2 H 1 3.616 . . . . . . . A 50 GLY HA2 . 36631 1 587 . 1 . 1 50 50 GLY HA3 H 1 4.025 . . . . . . . A 50 GLY HA3 . 36631 1 588 . 1 . 1 50 50 GLY C C 13 170.614 . . 1 . . . . A 50 GLY C . 36631 1 589 . 1 . 1 50 50 GLY CA C 13 43.055 . . 1 . . . . A 50 GLY CA . 36631 1 590 . 1 . 1 50 50 GLY N N 15 110.605 . . 1 . . . . A 50 GLY N . 36631 1 591 . 1 . 1 51 51 VAL H H 1 7.294 . . 1 . . . . A 51 VAL H . 36631 1 592 . 1 . 1 51 51 VAL HA H 1 3.873 . . 1 . . . . A 51 VAL HA . 36631 1 593 . 1 . 1 51 51 VAL HB H 1 1.860 . . 1 . . . . A 51 VAL HB . 36631 1 594 . 1 . 1 51 51 VAL HG11 H 1 0.861 . . . . . . . A 51 VAL HG11 . 36631 1 595 . 1 . 1 51 51 VAL HG12 H 1 0.861 . . . . . . . A 51 VAL HG12 . 36631 1 596 . 1 . 1 51 51 VAL HG13 H 1 0.861 . . . . . . . A 51 VAL HG13 . 36631 1 597 . 1 . 1 51 51 VAL HG21 H 1 0.594 . . . . . . . A 51 VAL HG21 . 36631 1 598 . 1 . 1 51 51 VAL HG22 H 1 0.594 . . . . . . . A 51 VAL HG22 . 36631 1 599 . 1 . 1 51 51 VAL HG23 H 1 0.594 . . . . . . . A 51 VAL HG23 . 36631 1 600 . 1 . 1 51 51 VAL C C 13 173.282 . . 1 . . . . A 51 VAL C . 36631 1 601 . 1 . 1 51 51 VAL CA C 13 59.147 . . 1 . . . . A 51 VAL CA . 36631 1 602 . 1 . 1 51 51 VAL CB C 13 30.527 . . 1 . . . . A 51 VAL CB . 36631 1 603 . 1 . 1 51 51 VAL CG1 C 13 18.644 . . . . . . . A 51 VAL CG1 . 36631 1 604 . 1 . 1 51 51 VAL CG2 C 13 19.247 . . . . . . . A 51 VAL CG2 . 36631 1 605 . 1 . 1 51 51 VAL N N 15 120.010 . . 1 . . . . A 51 VAL N . 36631 1 606 . 1 . 1 52 52 LEU H H 1 8.943 . . 1 . . . . A 52 LEU H . 36631 1 607 . 1 . 1 52 52 LEU HA H 1 5.772 . . 1 . . . . A 52 LEU HA . 36631 1 608 . 1 . 1 52 52 LEU HB2 H 1 1.439 . . . . . . . A 52 LEU HB2 . 36631 1 609 . 1 . 1 52 52 LEU HB3 H 1 1.438 . . . . . . . A 52 LEU HB3 . 36631 1 610 . 1 . 1 52 52 LEU HG H 1 1.397 . . 1 . . . . A 52 LEU HG . 36631 1 611 . 1 . 1 52 52 LEU HD11 H 1 0.812 . . . . . . . A 52 LEU HD11 . 36631 1 612 . 1 . 1 52 52 LEU HD12 H 1 0.812 . . . . . . . A 52 LEU HD12 . 36631 1 613 . 1 . 1 52 52 LEU HD13 H 1 0.812 . . . . . . . A 52 LEU HD13 . 36631 1 614 . 1 . 1 52 52 LEU HD21 H 1 0.818 . . . . . . . A 52 LEU HD21 . 36631 1 615 . 1 . 1 52 52 LEU HD22 H 1 0.818 . . . . . . . A 52 LEU HD22 . 36631 1 616 . 1 . 1 52 52 LEU HD23 H 1 0.818 . . . . . . . A 52 LEU HD23 . 36631 1 617 . 1 . 1 52 52 LEU C C 13 172.091 . . 1 . . . . A 52 LEU C . 36631 1 618 . 1 . 1 52 52 LEU CA C 13 49.308 . . 1 . . . . A 52 LEU CA . 36631 1 619 . 1 . 1 52 52 LEU CB C 13 42.395 . . 1 . . . . A 52 LEU CB . 36631 1 620 . 1 . 1 52 52 LEU CG C 13 24.293 . . 1 . . . . A 52 LEU CG . 36631 1 621 . 1 . 1 52 52 LEU CD1 C 13 21.864 . . . . . . . A 52 LEU CD1 . 36631 1 622 . 1 . 1 52 52 LEU CD2 C 13 22.182 . . . . . . . A 52 LEU CD2 . 36631 1 623 . 1 . 1 52 52 LEU N N 15 130.096 . . 1 . . . . A 52 LEU N . 36631 1 624 . 1 . 1 53 53 ASN H H 1 9.136 . . 1 . . . . A 53 ASN H . 36631 1 625 . 1 . 1 53 53 ASN HA H 1 5.778 . . 1 . . . . A 53 ASN HA . 36631 1 626 . 1 . 1 53 53 ASN HB2 H 1 2.480 . . . . . . . A 53 ASN HB2 . 36631 1 627 . 1 . 1 53 53 ASN HB3 H 1 2.812 . . . . . . . A 53 ASN HB3 . 36631 1 628 . 1 . 1 53 53 ASN HD21 H 1 6.684 . . . . . . . A 53 ASN HD21 . 36631 1 629 . 1 . 1 53 53 ASN HD22 H 1 7.326 . . . . . . . A 53 ASN HD22 . 36631 1 630 . 1 . 1 53 53 ASN C C 13 172.221 . . 1 . . . . A 53 ASN C . 36631 1 631 . 1 . 1 53 53 ASN CA C 13 49.278 . . 1 . . . . A 53 ASN CA . 36631 1 632 . 1 . 1 53 53 ASN CB C 13 37.419 . . 1 . . . . A 53 ASN CB . 36631 1 633 . 1 . 1 53 53 ASN N N 15 119.518 . . 1 . . . . A 53 ASN N . 36631 1 634 . 1 . 1 53 53 ASN ND2 N 15 109.990 . . 1 . . . . A 53 ASN ND2 . 36631 1 635 . 1 . 1 54 54 SER H H 1 9.011 . . 1 . . . . A 54 SER H . 36631 1 636 . 1 . 1 54 54 SER HA H 1 5.138 . . 1 . . . . A 54 SER HA . 36631 1 637 . 1 . 1 54 54 SER HB2 H 1 3.703 . . . . . . . A 54 SER HB2 . 36631 1 638 . 1 . 1 54 54 SER HB3 H 1 3.703 . . . . . . . A 54 SER HB3 . 36631 1 639 . 1 . 1 54 54 SER HG H 1 1.871 . . 1 . . . . A 54 SER HG . 36631 1 640 . 1 . 1 54 54 SER C C 13 171.085 . . 1 . . . . A 54 SER C . 36631 1 641 . 1 . 1 54 54 SER CA C 13 51.754 . . 1 . . . . A 54 SER CA . 36631 1 642 . 1 . 1 54 54 SER CB C 13 62.396 . . 1 . . . . A 54 SER CB . 36631 1 643 . 1 . 1 54 54 SER N N 15 117.670 . . 1 . . . . A 54 SER N . 36631 1 644 . 1 . 1 55 55 TRP H H 1 8.812 . . 1 . . . . A 55 TRP H . 36631 1 645 . 1 . 1 55 55 TRP HA H 1 5.300 . . 1 . . . . A 55 TRP HA . 36631 1 646 . 1 . 1 55 55 TRP HB2 H 1 2.855 . . . . . . . A 55 TRP HB2 . 36631 1 647 . 1 . 1 55 55 TRP HB3 H 1 3.046 . . . . . . . A 55 TRP HB3 . 36631 1 648 . 1 . 1 55 55 TRP HD1 H 1 7.311 . . 1 . . . . A 55 TRP HD1 . 36631 1 649 . 1 . 1 55 55 TRP HE1 H 1 8.813 . . 1 . . . . A 55 TRP HE1 . 36631 1 650 . 1 . 1 55 55 TRP HE3 H 1 7.309 . . 1 . . . . A 55 TRP HE3 . 36631 1 651 . 1 . 1 55 55 TRP HZ2 H 1 8.283 . . 1 . . . . A 55 TRP HZ2 . 36631 1 652 . 1 . 1 55 55 TRP HZ3 H 1 6.966 . . 1 . . . . A 55 TRP HZ3 . 36631 1 653 . 1 . 1 55 55 TRP C C 13 172.947 . . 1 . . . . A 55 TRP C . 36631 1 654 . 1 . 1 55 55 TRP CA C 13 53.608 . . 1 . . . . A 55 TRP CA . 36631 1 655 . 1 . 1 55 55 TRP CB C 13 29.778 . . 1 . . . . A 55 TRP CB . 36631 1 656 . 1 . 1 55 55 TRP N N 15 122.693 . . 1 . . . . A 55 TRP N . 36631 1 657 . 1 . 1 55 55 TRP NE1 N 15 129.135 . . 1 . . . . A 55 TRP NE1 . 36631 1 658 . 1 . 1 56 56 THR H H 1 9.204 . . 1 . . . . A 56 THR H . 36631 1 659 . 1 . 1 56 56 THR HA H 1 4.704 . . 1 . . . . A 56 THR HA . 36631 1 660 . 1 . 1 56 56 THR HB H 1 4.251 . . 1 . . . . A 56 THR HB . 36631 1 661 . 1 . 1 56 56 THR HG1 H 1 4.518 . . 1 . . . . A 56 THR HG1 . 36631 1 662 . 1 . 1 56 56 THR HG21 H 1 0.592 . . 1 . . . . A 56 THR HG21 . 36631 1 663 . 1 . 1 56 56 THR HG22 H 1 0.592 . . 1 . . . . A 56 THR HG22 . 36631 1 664 . 1 . 1 56 56 THR HG23 H 1 0.592 . . 1 . . . . A 56 THR HG23 . 36631 1 665 . 1 . 1 56 56 THR C C 13 173.001 . . 1 . . . . A 56 THR C . 36631 1 666 . 1 . 1 56 56 THR CA C 13 58.717 . . 1 . . . . A 56 THR CA . 36631 1 667 . 1 . 1 56 56 THR CB C 13 66.751 . . 1 . . . . A 56 THR CB . 36631 1 668 . 1 . 1 56 56 THR CG2 C 13 19.244 . . 1 . . . . A 56 THR CG2 . 36631 1 669 . 1 . 1 56 56 THR N N 15 118.718 . . 1 . . . . A 56 THR N . 36631 1 670 . 1 . 1 57 57 ASP H H 1 8.745 . . 1 . . . . A 57 ASP H . 36631 1 671 . 1 . 1 57 57 ASP HA H 1 4.755 . . 1 . . . . A 57 ASP HA . 36631 1 672 . 1 . 1 57 57 ASP HB2 H 1 2.528 . . . . . . . A 57 ASP HB2 . 36631 1 673 . 1 . 1 57 57 ASP HB3 H 1 2.613 . . . . . . . A 57 ASP HB3 . 36631 1 674 . 1 . 1 57 57 ASP C C 13 173.377 . . 1 . . . . A 57 ASP C . 36631 1 675 . 1 . 1 57 57 ASP CA C 13 51.646 . . 1 . . . . A 57 ASP CA . 36631 1 676 . 1 . 1 57 57 ASP CB C 13 38.579 . . 1 . . . . A 57 ASP CB . 36631 1 677 . 1 . 1 57 57 ASP N N 15 119.711 . . 1 . . . . A 57 ASP N . 36631 1 678 . 1 . 1 58 58 GLN H H 1 7.349 . . 1 . . . . A 58 GLN H . 36631 1 679 . 1 . 1 58 58 GLN HA H 1 4.487 . . 1 . . . . A 58 GLN HA . 36631 1 680 . 1 . 1 58 58 GLN HB2 H 1 1.929 . . . . . . . A 58 GLN HB2 . 36631 1 681 . 1 . 1 58 58 GLN HB3 H 1 1.929 . . . . . . . A 58 GLN HB3 . 36631 1 682 . 1 . 1 58 58 GLN HG2 H 1 2.321 . . . . . . . A 58 GLN HG2 . 36631 1 683 . 1 . 1 58 58 GLN HG3 H 1 2.367 . . . . . . . A 58 GLN HG3 . 36631 1 684 . 1 . 1 58 58 GLN HE21 H 1 6.755 . . . . . . . A 58 GLN HE21 . 36631 1 685 . 1 . 1 58 58 GLN HE22 H 1 7.513 . . . . . . . A 58 GLN HE22 . 36631 1 686 . 1 . 1 58 58 GLN C C 13 172.642 . . 1 . . . . A 58 GLN C . 36631 1 687 . 1 . 1 58 58 GLN CA C 13 53.667 . . 1 . . . . A 58 GLN CA . 36631 1 688 . 1 . 1 58 58 GLN CB C 13 27.863 . . 1 . . . . A 58 GLN CB . 36631 1 689 . 1 . 1 58 58 GLN CG C 13 31.244 . . 1 . . . . A 58 GLN CG . 36631 1 690 . 1 . 1 58 58 GLN N N 15 117.011 . . 1 . . . . A 58 GLN N . 36631 1 691 . 1 . 1 58 58 GLN NE2 N 15 111.684 . . 1 . . . . A 58 GLN NE2 . 36631 1 692 . 1 . 1 59 59 ASP H H 1 8.517 . . 1 . . . . A 59 ASP H . 36631 1 693 . 1 . 1 59 59 ASP HA H 1 3.819 . . 1 . . . . A 59 ASP HA . 36631 1 694 . 1 . 1 59 59 ASP HB2 H 1 2.595 . . . . . . . A 59 ASP HB2 . 36631 1 695 . 1 . 1 59 59 ASP HB3 H 1 2.915 . . . . . . . A 59 ASP HB3 . 36631 1 696 . 1 . 1 59 59 ASP C C 13 174.679 . . 1 . . . . A 59 ASP C . 36631 1 697 . 1 . 1 59 59 ASP CA C 13 52.361 . . 1 . . . . A 59 ASP CA . 36631 1 698 . 1 . 1 59 59 ASP CB C 13 39.265 . . 1 . . . . A 59 ASP CB . 36631 1 699 . 1 . 1 59 59 ASP N N 15 121.300 . . 1 . . . . A 59 ASP N . 36631 1 700 . 1 . 1 60 60 SER H H 1 8.295 . . 1 . . . . A 60 SER H . 36631 1 701 . 1 . 1 60 60 SER HA H 1 4.200 . . 1 . . . . A 60 SER HA . 36631 1 702 . 1 . 1 60 60 SER HB2 H 1 3.809 . . . . . . . A 60 SER HB2 . 36631 1 703 . 1 . 1 60 60 SER HB3 H 1 3.870 . . . . . . . A 60 SER HB3 . 36631 1 704 . 1 . 1 60 60 SER HG H 1 4.694 . . 1 . . . . A 60 SER HG . 36631 1 705 . 1 . 1 60 60 SER C C 13 172.343 . . 1 . . . . A 60 SER C . 36631 1 706 . 1 . 1 60 60 SER CA C 13 56.718 . . 1 . . . . A 60 SER CA . 36631 1 707 . 1 . 1 60 60 SER CB C 13 61.125 . . 1 . . . . A 60 SER CB . 36631 1 708 . 1 . 1 60 60 SER N N 15 118.094 . . 1 . . . . A 60 SER N . 36631 1 709 . 1 . 1 61 61 LYS H H 1 8.539 . . 1 . . . . A 61 LYS H . 36631 1 710 . 1 . 1 61 61 LYS HA H 1 4.213 . . 1 . . . . A 61 LYS HA . 36631 1 711 . 1 . 1 61 61 LYS HB2 H 1 1.756 . . . . . . . A 61 LYS HB2 . 36631 1 712 . 1 . 1 61 61 LYS HB3 H 1 1.757 . . . . . . . A 61 LYS HB3 . 36631 1 713 . 1 . 1 61 61 LYS HG2 H 1 1.347 . . . . . . . A 61 LYS HG2 . 36631 1 714 . 1 . 1 61 61 LYS HG3 H 1 1.352 . . . . . . . A 61 LYS HG3 . 36631 1 715 . 1 . 1 61 61 LYS HD2 H 1 1.602 . . . . . . . A 61 LYS HD2 . 36631 1 716 . 1 . 1 61 61 LYS HD3 H 1 2.481 . . . . . . . A 61 LYS HD3 . 36631 1 717 . 1 . 1 61 61 LYS HE2 H 1 2.924 . . . . . . . A 61 LYS HE2 . 36631 1 718 . 1 . 1 61 61 LYS HE3 H 1 2.925 . . . . . . . A 61 LYS HE3 . 36631 1 719 . 1 . 1 61 61 LYS C C 13 174.620 . . 1 . . . . A 61 LYS C . 36631 1 720 . 1 . 1 61 61 LYS CA C 13 54.921 . . 1 . . . . A 61 LYS CA . 36631 1 721 . 1 . 1 61 61 LYS CB C 13 29.779 . . 1 . . . . A 61 LYS CB . 36631 1 722 . 1 . 1 61 61 LYS CG C 13 21.772 . . 1 . . . . A 61 LYS CG . 36631 1 723 . 1 . 1 61 61 LYS CD C 13 26.203 . . 1 . . . . A 61 LYS CD . 36631 1 724 . 1 . 1 61 61 LYS CE C 13 39.263 . . 1 . . . . A 61 LYS CE . 36631 1 725 . 1 . 1 61 61 LYS N N 15 122.112 . . 1 . . . . A 61 LYS N . 36631 1 726 . 1 . 1 62 62 ASP H H 1 8.257 . . 1 . . . . A 62 ASP H . 36631 1 727 . 1 . 1 62 62 ASP HA H 1 5.029 . . 1 . . . . A 62 ASP HA . 36631 1 728 . 1 . 1 62 62 ASP HB2 H 1 2.450 . . . . . . . A 62 ASP HB2 . 36631 1 729 . 1 . 1 62 62 ASP HB3 H 1 2.592 . . . . . . . A 62 ASP HB3 . 36631 1 730 . 1 . 1 62 62 ASP C C 13 173.329 . . 1 . . . . A 62 ASP C . 36631 1 731 . 1 . 1 62 62 ASP CA C 13 50.971 . . 1 . . . . A 62 ASP CA . 36631 1 732 . 1 . 1 62 62 ASP CB C 13 39.095 . . 1 . . . . A 62 ASP CB . 36631 1 733 . 1 . 1 62 62 ASP N N 15 117.964 . . 1 . . . . A 62 ASP N . 36631 1 734 . 1 . 1 63 63 SER H H 1 7.760 . . 1 . . . . A 63 SER H . 36631 1 735 . 1 . 1 63 63 SER HA H 1 4.091 . . 1 . . . . A 63 SER HA . 36631 1 736 . 1 . 1 63 63 SER HB2 H 1 3.808 . . . . . . . A 63 SER HB2 . 36631 1 737 . 1 . 1 63 63 SER HB3 H 1 4.684 . . . . . . . A 63 SER HB3 . 36631 1 738 . 1 . 1 63 63 SER HG H 1 4.669 . . 1 . . . . A 63 SER HG . 36631 1 739 . 1 . 1 63 63 SER C C 13 170.520 . . 1 . . . . A 63 SER C . 36631 1 740 . 1 . 1 63 63 SER CA C 13 56.717 . . 1 . . . . A 63 SER CA . 36631 1 741 . 1 . 1 63 63 SER CB C 13 59.876 . . 1 . . . . A 63 SER CB . 36631 1 742 . 1 . 1 63 63 SER N N 15 111.421 . . 1 . . . . A 63 SER N . 36631 1 743 . 1 . 1 64 64 THR H H 1 7.614 . . 1 . . . . A 64 THR H . 36631 1 744 . 1 . 1 64 64 THR HA H 1 4.272 . . 1 . . . . A 64 THR HA . 36631 1 745 . 1 . 1 64 64 THR HB H 1 4.023 . . 1 . . . . A 64 THR HB . 36631 1 746 . 1 . 1 64 64 THR HG1 H 1 6.747 . . 1 . . . . A 64 THR HG1 . 36631 1 747 . 1 . 1 64 64 THR HG21 H 1 0.812 . . 1 . . . . A 64 THR HG21 . 36631 1 748 . 1 . 1 64 64 THR HG22 H 1 0.812 . . 1 . . . . A 64 THR HG22 . 36631 1 749 . 1 . 1 64 64 THR HG23 H 1 0.812 . . 1 . . . . A 64 THR HG23 . 36631 1 750 . 1 . 1 64 64 THR C C 13 170.518 . . 1 . . . . A 64 THR C . 36631 1 751 . 1 . 1 64 64 THR CA C 13 58.559 . . 1 . . . . A 64 THR CA . 36631 1 752 . 1 . 1 64 64 THR CB C 13 68.588 . . 1 . . . . A 64 THR CB . 36631 1 753 . 1 . 1 64 64 THR CG2 C 13 18.617 . . 1 . . . . A 64 THR CG2 . 36631 1 754 . 1 . 1 64 64 THR N N 15 107.884 . . 1 . . . . A 64 THR N . 36631 1 755 . 1 . 1 65 65 TYR H H 1 8.880 . . 1 . . . . A 65 TYR H . 36631 1 756 . 1 . 1 65 65 TYR HA H 1 4.711 . . 1 . . . . A 65 TYR HA . 36631 1 757 . 1 . 1 65 65 TYR HB2 H 1 1.554 . . . . . . . A 65 TYR HB2 . 36631 1 758 . 1 . 1 65 65 TYR HB3 H 1 2.657 . . . . . . . A 65 TYR HB3 . 36631 1 759 . 1 . 1 65 65 TYR HD1 H 1 6.751 . . . . . . . A 65 TYR HD1 . 36631 1 760 . 1 . 1 65 65 TYR HD2 H 1 7.141 . . . . . . . A 65 TYR HD2 . 36631 1 761 . 1 . 1 65 65 TYR HE1 H 1 6.288 . . . . . . . A 65 TYR HE1 . 36631 1 762 . 1 . 1 65 65 TYR HE2 H 1 7.140 . . . . . . . A 65 TYR HE2 . 36631 1 763 . 1 . 1 65 65 TYR C C 13 171.678 . . 1 . . . . A 65 TYR C . 36631 1 764 . 1 . 1 65 65 TYR CA C 13 55.280 . . 1 . . . . A 65 TYR CA . 36631 1 765 . 1 . 1 65 65 TYR CB C 13 39.251 . . 1 . . . . A 65 TYR CB . 36631 1 766 . 1 . 1 65 65 TYR N N 15 118.076 . . 1 . . . . A 65 TYR N . 36631 1 767 . 1 . 1 66 66 SER H H 1 8.017 . . 1 . . . . A 66 SER H . 36631 1 768 . 1 . 1 66 66 SER HA H 1 3.430 . . 1 . . . . A 66 SER HA . 36631 1 769 . 1 . 1 66 66 SER HB2 H 1 3.743 . . . . . . . A 66 SER HB2 . 36631 1 770 . 1 . 1 66 66 SER HB3 H 1 3.742 . . . . . . . A 66 SER HB3 . 36631 1 771 . 1 . 1 66 66 SER HG H 1 8.413 . . 1 . . . . A 66 SER HG . 36631 1 772 . 1 . 1 66 66 SER C C 13 171.896 . . 1 . . . . A 66 SER C . 36631 1 773 . 1 . 1 66 66 SER CA C 13 56.129 . . 1 . . . . A 66 SER CA . 36631 1 774 . 1 . 1 66 66 SER CB C 13 63.641 . . 1 . . . . A 66 SER CB . 36631 1 775 . 1 . 1 66 66 SER N N 15 111.156 . . 1 . . . . A 66 SER N . 36631 1 776 . 1 . 1 67 67 MET H H 1 9.372 . . 1 . . . . A 67 MET H . 36631 1 777 . 1 . 1 67 67 MET HA H 1 5.078 . . 1 . . . . A 67 MET HA . 36631 1 778 . 1 . 1 67 67 MET HB2 H 1 1.380 . . . . . . . A 67 MET HB2 . 36631 1 779 . 1 . 1 67 67 MET HB3 H 1 1.671 . . . . . . . A 67 MET HB3 . 36631 1 780 . 1 . 1 67 67 MET HG2 H 1 1.320 . . . . . . . A 67 MET HG2 . 36631 1 781 . 1 . 1 67 67 MET HG3 H 1 2.252 . . . . . . . A 67 MET HG3 . 36631 1 782 . 1 . 1 67 67 MET HE1 H 1 2.149 . . 1 . . . . A 67 MET HE1 . 36631 1 783 . 1 . 1 67 67 MET HE2 H 1 2.149 . . 1 . . . . A 67 MET HE2 . 36631 1 784 . 1 . 1 67 67 MET HE3 H 1 2.149 . . 1 . . . . A 67 MET HE3 . 36631 1 785 . 1 . 1 67 67 MET C C 13 171.822 . . 1 . . . . A 67 MET C . 36631 1 786 . 1 . 1 67 67 MET CA C 13 54.910 . . 1 . . . . A 67 MET CA . 36631 1 787 . 1 . 1 67 67 MET CB C 13 39.283 . . 1 . . . . A 67 MET CB . 36631 1 788 . 1 . 1 67 67 MET CG C 13 29.252 . . 1 . . . . A 67 MET CG . 36631 1 789 . 1 . 1 67 67 MET N N 15 120.341 . . 1 . . . . A 67 MET N . 36631 1 790 . 1 . 1 68 68 SER H H 1 7.884 . . 1 . . . . A 68 SER H . 36631 1 791 . 1 . 1 68 68 SER HA H 1 5.356 . . 1 . . . . A 68 SER HA . 36631 1 792 . 1 . 1 68 68 SER HB2 H 1 3.746 . . . . . . . A 68 SER HB2 . 36631 1 793 . 1 . 1 68 68 SER HB3 H 1 3.934 . . . . . . . A 68 SER HB3 . 36631 1 794 . 1 . 1 68 68 SER HG H 1 2.207 . . 1 . . . . A 68 SER HG . 36631 1 795 . 1 . 1 68 68 SER C C 13 172.782 . . 1 . . . . A 68 SER C . 36631 1 796 . 1 . 1 68 68 SER CA C 13 54.187 . . 1 . . . . A 68 SER CA . 36631 1 797 . 1 . 1 68 68 SER CB C 13 62.403 . . 1 . . . . A 68 SER CB . 36631 1 798 . 1 . 1 68 68 SER N N 15 119.437 . . 1 . . . . A 68 SER N . 36631 1 799 . 1 . 1 69 69 SER H H 1 9.081 . . 1 . . . . A 69 SER H . 36631 1 800 . 1 . 1 69 69 SER HA H 1 5.360 . . 1 . . . . A 69 SER HA . 36631 1 801 . 1 . 1 69 69 SER HB2 H 1 3.352 . . . . . . . A 69 SER HB2 . 36631 1 802 . 1 . 1 69 69 SER HB3 H 1 3.704 . . . . . . . A 69 SER HB3 . 36631 1 803 . 1 . 1 69 69 SER HG H 1 6.970 . . 1 . . . . A 69 SER HG . 36631 1 804 . 1 . 1 69 69 SER C C 13 171.699 . . 1 . . . . A 69 SER C . 36631 1 805 . 1 . 1 69 69 SER CA C 13 54.121 . . 1 . . . . A 69 SER CA . 36631 1 806 . 1 . 1 69 69 SER CB C 13 62.406 . . 1 . . . . A 69 SER CB . 36631 1 807 . 1 . 1 69 69 SER N N 15 125.241 . . 1 . . . . A 69 SER N . 36631 1 808 . 1 . 1 70 70 THR H H 1 9.082 . . 1 . . . . A 70 THR H . 36631 1 809 . 1 . 1 70 70 THR HA H 1 4.961 . . 1 . . . . A 70 THR HA . 36631 1 810 . 1 . 1 70 70 THR HB H 1 3.867 . . 1 . . . . A 70 THR HB . 36631 1 811 . 1 . 1 70 70 THR HG1 H 1 4.673 . . 1 . . . . A 70 THR HG1 . 36631 1 812 . 1 . 1 70 70 THR HG21 H 1 0.857 . . 1 . . . . A 70 THR HG21 . 36631 1 813 . 1 . 1 70 70 THR HG22 H 1 0.857 . . 1 . . . . A 70 THR HG22 . 36631 1 814 . 1 . 1 70 70 THR HG23 H 1 0.857 . . 1 . . . . A 70 THR HG23 . 36631 1 815 . 1 . 1 70 70 THR C C 13 169.858 . . 1 . . . . A 70 THR C . 36631 1 816 . 1 . 1 70 70 THR CA C 13 59.312 . . 1 . . . . A 70 THR CA . 36631 1 817 . 1 . 1 70 70 THR CB C 13 67.908 . . 1 . . . . A 70 THR CB . 36631 1 818 . 1 . 1 70 70 THR CG2 C 13 18.597 . . 1 . . . . A 70 THR CG2 . 36631 1 819 . 1 . 1 70 70 THR N N 15 125.233 . . 1 . . . . A 70 THR N . 36631 1 820 . 1 . 1 71 71 LEU H H 1 8.927 . . 1 . . . . A 71 LEU H . 36631 1 821 . 1 . 1 71 71 LEU HA H 1 4.251 . . 1 . . . . A 71 LEU HA . 36631 1 822 . 1 . 1 71 71 LEU HB2 H 1 -0.808 . . . . . . . A 71 LEU HB2 . 36631 1 823 . 1 . 1 71 71 LEU HB3 H 1 0.559 . . . . . . . A 71 LEU HB3 . 36631 1 824 . 1 . 1 71 71 LEU HG H 1 0.822 . . 1 . . . . A 71 LEU HG . 36631 1 825 . 1 . 1 71 71 LEU HD11 H 1 0.276 . . . . . . . A 71 LEU HD11 . 36631 1 826 . 1 . 1 71 71 LEU HD12 H 1 0.276 . . . . . . . A 71 LEU HD12 . 36631 1 827 . 1 . 1 71 71 LEU HD13 H 1 0.276 . . . . . . . A 71 LEU HD13 . 36631 1 828 . 1 . 1 71 71 LEU HD21 H 1 0.357 . . . . . . . A 71 LEU HD21 . 36631 1 829 . 1 . 1 71 71 LEU HD22 H 1 0.357 . . . . . . . A 71 LEU HD22 . 36631 1 830 . 1 . 1 71 71 LEU HD23 H 1 0.357 . . . . . . . A 71 LEU HD23 . 36631 1 831 . 1 . 1 71 71 LEU C C 13 171.989 . . 1 . . . . A 71 LEU C . 36631 1 832 . 1 . 1 71 71 LEU CA C 13 50.472 . . 1 . . . . A 71 LEU CA . 36631 1 833 . 1 . 1 71 71 LEU CB C 13 38.615 . . 1 . . . . A 71 LEU CB . 36631 1 834 . 1 . 1 71 71 LEU CG C 13 23.134 . . 1 . . . . A 71 LEU CG . 36631 1 835 . 1 . 1 71 71 LEU CD1 C 13 20.572 . . . . . . . A 71 LEU CD1 . 36631 1 836 . 1 . 1 71 71 LEU CD2 C 13 23.610 . . . . . . . A 71 LEU CD2 . 36631 1 837 . 1 . 1 71 71 LEU N N 15 131.635 . . 1 . . . . A 71 LEU N . 36631 1 838 . 1 . 1 72 72 THR H H 1 8.378 . . 1 . . . . A 72 THR H . 36631 1 839 . 1 . 1 72 72 THR HA H 1 4.412 . . 1 . . . . A 72 THR HA . 36631 1 840 . 1 . 1 72 72 THR HB H 1 4.063 . . 1 . . . . A 72 THR HB . 36631 1 841 . 1 . 1 72 72 THR HG1 H 1 4.698 . . 1 . . . . A 72 THR HG1 . 36631 1 842 . 1 . 1 72 72 THR HG21 H 1 0.815 . . 1 . . . . A 72 THR HG21 . 36631 1 843 . 1 . 1 72 72 THR HG22 H 1 0.815 . . 1 . . . . A 72 THR HG22 . 36631 1 844 . 1 . 1 72 72 THR HG23 H 1 0.815 . . 1 . . . . A 72 THR HG23 . 36631 1 845 . 1 . 1 72 72 THR C C 13 171.615 . . 1 . . . . A 72 THR C . 36631 1 846 . 1 . 1 72 72 THR CA C 13 59.373 . . 1 . . . . A 72 THR CA . 36631 1 847 . 1 . 1 72 72 THR CB C 13 66.836 . . 1 . . . . A 72 THR CB . 36631 1 848 . 1 . 1 72 72 THR CG2 C 13 18.612 . . 1 . . . . A 72 THR CG2 . 36631 1 849 . 1 . 1 72 72 THR N N 15 122.894 . . 1 . . . . A 72 THR N . 36631 1 850 . 1 . 1 73 73 LEU H H 1 8.419 . . 1 . . . . A 73 LEU H . 36631 1 851 . 1 . 1 73 73 LEU HA H 1 4.768 . . 1 . . . . A 73 LEU HA . 36631 1 852 . 1 . 1 73 73 LEU HB2 H 1 1.659 . . . . . . . A 73 LEU HB2 . 36631 1 853 . 1 . 1 73 73 LEU HB3 H 1 1.685 . . . . . . . A 73 LEU HB3 . 36631 1 854 . 1 . 1 73 73 LEU HG H 1 1.464 . . 1 . . . . A 73 LEU HG . 36631 1 855 . 1 . 1 73 73 LEU HD11 H 1 0.779 . . . . . . . A 73 LEU HD11 . 36631 1 856 . 1 . 1 73 73 LEU HD12 H 1 0.779 . . . . . . . A 73 LEU HD12 . 36631 1 857 . 1 . 1 73 73 LEU HD13 H 1 0.779 . . . . . . . A 73 LEU HD13 . 36631 1 858 . 1 . 1 73 73 LEU HD21 H 1 0.872 . . . . . . . A 73 LEU HD21 . 36631 1 859 . 1 . 1 73 73 LEU HD22 H 1 0.872 . . . . . . . A 73 LEU HD22 . 36631 1 860 . 1 . 1 73 73 LEU HD23 H 1 0.872 . . . . . . . A 73 LEU HD23 . 36631 1 861 . 1 . 1 73 73 LEU C C 13 174.303 . . 1 . . . . A 73 LEU C . 36631 1 862 . 1 . 1 73 73 LEU CA C 13 50.516 . . 1 . . . . A 73 LEU CA . 36631 1 863 . 1 . 1 73 73 LEU CB C 13 43.556 . . 1 . . . . A 73 LEU CB . 36631 1 864 . 1 . 1 73 73 LEU CG C 13 24.565 . . 1 . . . . A 73 LEU CG . 36631 1 865 . 1 . 1 73 73 LEU CD1 C 13 21.674 . . . . . . . A 73 LEU CD1 . 36631 1 866 . 1 . 1 73 73 LEU CD2 C 13 24.801 . . . . . . . A 73 LEU CD2 . 36631 1 867 . 1 . 1 73 73 LEU N N 15 126.807 . . 1 . . . . A 73 LEU N . 36631 1 868 . 1 . 1 74 74 THR H H 1 8.436 . . 1 . . . . A 74 THR H . 36631 1 869 . 1 . 1 74 74 THR HA H 1 4.513 . . 1 . . . . A 74 THR HA . 36631 1 870 . 1 . 1 74 74 THR HB H 1 4.421 . . 1 . . . . A 74 THR HB . 36631 1 871 . 1 . 1 74 74 THR HG1 H 1 3.869 . . 1 . . . . A 74 THR HG1 . 36631 1 872 . 1 . 1 74 74 THR HG21 H 1 1.316 . . 1 . . . . A 74 THR HG21 . 36631 1 873 . 1 . 1 74 74 THR HG22 H 1 1.316 . . 1 . . . . A 74 THR HG22 . 36631 1 874 . 1 . 1 74 74 THR HG23 H 1 1.316 . . 1 . . . . A 74 THR HG23 . 36631 1 875 . 1 . 1 74 74 THR C C 13 172.598 . . 1 . . . . A 74 THR C . 36631 1 876 . 1 . 1 74 74 THR CA C 13 58.852 . . 1 . . . . A 74 THR CA . 36631 1 877 . 1 . 1 74 74 THR CB C 13 67.996 . . 1 . . . . A 74 THR CB . 36631 1 878 . 1 . 1 74 74 THR CG2 C 13 19.265 . . 1 . . . . A 74 THR CG2 . 36631 1 879 . 1 . 1 74 74 THR N N 15 111.296 . . 1 . . . . A 74 THR N . 36631 1 880 . 1 . 1 75 75 LYS H H 1 8.188 . . 1 . . . . A 75 LYS H . 36631 1 881 . 1 . 1 75 75 LYS HA H 1 3.659 . . 1 . . . . A 75 LYS HA . 36631 1 882 . 1 . 1 75 75 LYS HB2 H 1 1.352 . . . . . . . A 75 LYS HB2 . 36631 1 883 . 1 . 1 75 75 LYS HB3 H 1 1.670 . . . . . . . A 75 LYS HB3 . 36631 1 884 . 1 . 1 75 75 LYS HG2 H 1 1.326 . . . . . . . A 75 LYS HG2 . 36631 1 885 . 1 . 1 75 75 LYS HG3 H 1 1.349 . . . . . . . A 75 LYS HG3 . 36631 1 886 . 1 . 1 75 75 LYS HD2 H 1 1.602 . . . . . . . A 75 LYS HD2 . 36631 1 887 . 1 . 1 75 75 LYS HD3 H 1 1.770 . . . . . . . A 75 LYS HD3 . 36631 1 888 . 1 . 1 75 75 LYS HE2 H 1 1.604 . . . . . . . A 75 LYS HE2 . 36631 1 889 . 1 . 1 75 75 LYS HE3 H 1 2.926 . . . . . . . A 75 LYS HE3 . 36631 1 890 . 1 . 1 75 75 LYS C C 13 174.398 . . 1 . . . . A 75 LYS C . 36631 1 891 . 1 . 1 75 75 LYS CA C 13 57.962 . . 1 . . . . A 75 LYS CA . 36631 1 892 . 1 . 1 75 75 LYS CB C 13 29.775 . . 1 . . . . A 75 LYS CB . 36631 1 893 . 1 . 1 75 75 LYS CG C 13 21.835 . . 1 . . . . A 75 LYS CG . 36631 1 894 . 1 . 1 75 75 LYS CD C 13 26.758 . . 1 . . . . A 75 LYS CD . 36631 1 895 . 1 . 1 75 75 LYS CE C 13 39.268 . . 1 . . . . A 75 LYS CE . 36631 1 896 . 1 . 1 75 75 LYS N N 15 122.833 . . 1 . . . . A 75 LYS N . 36631 1 897 . 1 . 1 76 76 ASP H H 1 8.237 . . 1 . . . . A 76 ASP H . 36631 1 898 . 1 . 1 76 76 ASP HA H 1 4.224 . . 1 . . . . A 76 ASP HA . 36631 1 899 . 1 . 1 76 76 ASP HB2 H 1 2.497 . . . . . . . A 76 ASP HB2 . 36631 1 900 . 1 . 1 76 76 ASP HB3 H 1 2.499 . . . . . . . A 76 ASP HB3 . 36631 1 901 . 1 . 1 76 76 ASP C C 13 175.417 . . 1 . . . . A 76 ASP C . 36631 1 902 . 1 . 1 76 76 ASP CA C 13 54.281 . . 1 . . . . A 76 ASP CA . 36631 1 903 . 1 . 1 76 76 ASP CB C 13 38.005 . . 1 . . . . A 76 ASP CB . 36631 1 904 . 1 . 1 76 76 ASP N N 15 114.922 . . 1 . . . . A 76 ASP N . 36631 1 905 . 1 . 1 77 77 GLU H H 1 7.656 . . 1 . . . . A 77 GLU H . 36631 1 906 . 1 . 1 77 77 GLU HA H 1 3.897 . . 1 . . . . A 77 GLU HA . 36631 1 907 . 1 . 1 77 77 GLU HB2 H 1 2.028 . . . . . . . A 77 GLU HB2 . 36631 1 908 . 1 . 1 77 77 GLU HB3 H 1 2.090 . . . . . . . A 77 GLU HB3 . 36631 1 909 . 1 . 1 77 77 GLU HG2 H 1 2.368 . . . . . . . A 77 GLU HG2 . 36631 1 910 . 1 . 1 77 77 GLU HG3 H 1 2.368 . . . . . . . A 77 GLU HG3 . 36631 1 911 . 1 . 1 77 77 GLU C C 13 176.050 . . 1 . . . . A 77 GLU C . 36631 1 912 . 1 . 1 77 77 GLU CA C 13 56.667 . . 1 . . . . A 77 GLU CA . 36631 1 913 . 1 . 1 77 77 GLU CB C 13 27.354 . . 1 . . . . A 77 GLU CB . 36631 1 914 . 1 . 1 77 77 GLU CG C 13 34.295 . . 1 . . . . A 77 GLU CG . 36631 1 915 . 1 . 1 77 77 GLU N N 15 118.557 . . 1 . . . . A 77 GLU N . 36631 1 916 . 1 . 1 78 78 TYR H H 1 8.508 . . 1 . . . . A 78 TYR H . 36631 1 917 . 1 . 1 78 78 TYR HA H 1 6.653 . . 1 . . . . A 78 TYR HA . 36631 1 918 . 1 . 1 78 78 TYR HB2 H 1 2.820 . . . . . . . A 78 TYR HB2 . 36631 1 919 . 1 . 1 78 78 TYR HB3 H 1 2.936 . . . . . . . A 78 TYR HB3 . 36631 1 920 . 1 . 1 78 78 TYR HD1 H 1 6.254 . . . . . . . A 78 TYR HD1 . 36631 1 921 . 1 . 1 78 78 TYR HD2 H 1 7.869 . . . . . . . A 78 TYR HD2 . 36631 1 922 . 1 . 1 78 78 TYR HE1 H 1 6.646 . . . . . . . A 78 TYR HE1 . 36631 1 923 . 1 . 1 78 78 TYR HE2 H 1 6.701 . . . . . . . A 78 TYR HE2 . 36631 1 924 . 1 . 1 78 78 TYR HH H 1 7.199 . . 1 . . . . A 78 TYR HH . 36631 1 925 . 1 . 1 78 78 TYR C C 13 176.109 . . 1 . . . . A 78 TYR C . 36631 1 926 . 1 . 1 78 78 TYR CA C 13 51.109 . . 1 . . . . A 78 TYR CA . 36631 1 927 . 1 . 1 78 78 TYR CB C 13 36.742 . . 1 . . . . A 78 TYR CB . 36631 1 928 . 1 . 1 78 78 TYR N N 15 120.590 . . 1 . . . . A 78 TYR N . 36631 1 929 . 1 . 1 79 79 GLU H H 1 7.868 . . 1 . . . . A 79 GLU H . 36631 1 930 . 1 . 1 79 79 GLU HA H 1 3.712 . . 1 . . . . A 79 GLU HA . 36631 1 931 . 1 . 1 79 79 GLU HB2 H 1 1.981 . . . . . . . A 79 GLU HB2 . 36631 1 932 . 1 . 1 79 79 GLU HB3 H 1 2.051 . . . . . . . A 79 GLU HB3 . 36631 1 933 . 1 . 1 79 79 GLU HG2 H 1 2.139 . . . . . . . A 79 GLU HG2 . 36631 1 934 . 1 . 1 79 79 GLU HG3 H 1 2.706 . . . . . . . A 79 GLU HG3 . 36631 1 935 . 1 . 1 79 79 GLU C C 13 173.382 . . 1 . . . . A 79 GLU C . 36631 1 936 . 1 . 1 79 79 GLU CA C 13 54.853 . . 1 . . . . A 79 GLU CA . 36631 1 937 . 1 . 1 79 79 GLU CB C 13 26.648 . . 1 . . . . A 79 GLU CB . 36631 1 938 . 1 . 1 79 79 GLU CG C 13 34.920 . . 1 . . . . A 79 GLU CG . 36631 1 939 . 1 . 1 79 79 GLU N N 15 112.989 . . 1 . . . . A 79 GLU N . 36631 1 940 . 1 . 1 80 80 ARG H H 1 7.348 . . 1 . . . . A 80 ARG H . 36631 1 941 . 1 . 1 80 80 ARG HA H 1 4.134 . . 1 . . . . A 80 ARG HA . 36631 1 942 . 1 . 1 80 80 ARG HB2 H 1 1.529 . . . . . . . A 80 ARG HB2 . 36631 1 943 . 1 . 1 80 80 ARG HB3 H 1 1.530 . . . . . . . A 80 ARG HB3 . 36631 1 944 . 1 . 1 80 80 ARG HG2 H 1 1.473 . . . . . . . A 80 ARG HG2 . 36631 1 945 . 1 . 1 80 80 ARG HG3 H 1 1.608 . . . . . . . A 80 ARG HG3 . 36631 1 946 . 1 . 1 80 80 ARG HD2 H 1 2.976 . . . . . . . A 80 ARG HD2 . 36631 1 947 . 1 . 1 80 80 ARG HD3 H 1 3.043 . . . . . . . A 80 ARG HD3 . 36631 1 948 . 1 . 1 80 80 ARG HE H 1 7.349 . . 1 . . . . A 80 ARG HE . 36631 1 949 . 1 . 1 80 80 ARG C C 13 172.425 . . 1 . . . . A 80 ARG C . 36631 1 950 . 1 . 1 80 80 ARG CA C 13 53.530 . . 1 . . . . A 80 ARG CA . 36631 1 951 . 1 . 1 80 80 ARG CB C 13 28.055 . . 1 . . . . A 80 ARG CB . 36631 1 952 . 1 . 1 80 80 ARG CG C 13 25.155 . . 1 . . . . A 80 ARG CG . 36631 1 953 . 1 . 1 80 80 ARG CD C 13 41.049 . . 1 . . . . A 80 ARG CD . 36631 1 954 . 1 . 1 80 80 ARG N N 15 117.021 . . 1 . . . . A 80 ARG N . 36631 1 955 . 1 . 1 81 81 HIS H H 1 7.093 . . 1 . . . . A 81 HIS H . 36631 1 956 . 1 . 1 81 81 HIS HA H 1 4.876 . . 1 . . . . A 81 HIS HA . 36631 1 957 . 1 . 1 81 81 HIS HB2 H 1 2.582 . . . . . . . A 81 HIS HB2 . 36631 1 958 . 1 . 1 81 81 HIS HB3 H 1 3.053 . . . . . . . A 81 HIS HB3 . 36631 1 959 . 1 . 1 81 81 HIS HD1 H 1 7.088 . . 1 . . . . A 81 HIS HD1 . 36631 1 960 . 1 . 1 81 81 HIS HD2 H 1 6.749 . . 1 . . . . A 81 HIS HD2 . 36631 1 961 . 1 . 1 81 81 HIS HE1 H 1 7.795 . . 1 . . . . A 81 HIS HE1 . 36631 1 962 . 1 . 1 81 81 HIS C C 13 170.323 . . 1 . . . . A 81 HIS C . 36631 1 963 . 1 . 1 81 81 HIS CA C 13 51.247 . . 1 . . . . A 81 HIS CA . 36631 1 964 . 1 . 1 81 81 HIS CB C 13 28.583 . . 1 . . . . A 81 HIS CB . 36631 1 965 . 1 . 1 81 81 HIS N N 15 115.414 . . 1 . . . . A 81 HIS N . 36631 1 966 . 1 . 1 81 81 HIS ND1 N 15 115.432 . . 1 . . . . A 81 HIS ND1 . 36631 1 967 . 1 . 1 82 82 ASN H H 1 9.414 . . 1 . . . . A 82 ASN H . 36631 1 968 . 1 . 1 82 82 ASN HA H 1 5.079 . . 1 . . . . A 82 ASN HA . 36631 1 969 . 1 . 1 82 82 ASN HB2 H 1 2.665 . . . . . . . A 82 ASN HB2 . 36631 1 970 . 1 . 1 82 82 ASN HB3 H 1 2.800 . . . . . . . A 82 ASN HB3 . 36631 1 971 . 1 . 1 82 82 ASN HD21 H 1 6.752 . . . . . . . A 82 ASN HD21 . 36631 1 972 . 1 . 1 82 82 ASN HD22 H 1 7.421 . . . . . . . A 82 ASN HD22 . 36631 1 973 . 1 . 1 82 82 ASN C C 13 171.449 . . 1 . . . . A 82 ASN C . 36631 1 974 . 1 . 1 82 82 ASN CA C 13 52.461 . . 1 . . . . A 82 ASN CA . 36631 1 975 . 1 . 1 82 82 ASN CB C 13 39.258 . . 1 . . . . A 82 ASN CB . 36631 1 976 . 1 . 1 82 82 ASN N N 15 119.414 . . 1 . . . . A 82 ASN N . 36631 1 977 . 1 . 1 82 82 ASN ND2 N 15 112.456 . . 1 . . . . A 82 ASN ND2 . 36631 1 978 . 1 . 1 83 83 SER H H 1 8.702 . . 1 . . . . A 83 SER H . 36631 1 979 . 1 . 1 83 83 SER HA H 1 5.084 . . 1 . . . . A 83 SER HA . 36631 1 980 . 1 . 1 83 83 SER HB2 H 1 3.592 . . . . . . . A 83 SER HB2 . 36631 1 981 . 1 . 1 83 83 SER HB3 H 1 3.634 . . . . . . . A 83 SER HB3 . 36631 1 982 . 1 . 1 83 83 SER HG H 1 7.137 . . 1 . . . . A 83 SER HG . 36631 1 983 . 1 . 1 83 83 SER C C 13 170.056 . . 1 . . . . A 83 SER C . 36631 1 984 . 1 . 1 83 83 SER CA C 13 54.342 . . 1 . . . . A 83 SER CA . 36631 1 985 . 1 . 1 83 83 SER CB C 13 62.363 . . 1 . . . . A 83 SER CB . 36631 1 986 . 1 . 1 83 83 SER N N 15 114.870 . . 1 . . . . A 83 SER N . 36631 1 987 . 1 . 1 84 84 TYR H H 1 8.629 . . 1 . . . . A 84 TYR H . 36631 1 988 . 1 . 1 84 84 TYR HA H 1 5.062 . . 1 . . . . A 84 TYR HA . 36631 1 989 . 1 . 1 84 84 TYR HB2 H 1 2.421 . . . . . . . A 84 TYR HB2 . 36631 1 990 . 1 . 1 84 84 TYR HB3 H 1 2.647 . . . . . . . A 84 TYR HB3 . 36631 1 991 . 1 . 1 84 84 TYR HD1 H 1 6.255 . . . . . . . A 84 TYR HD1 . 36631 1 992 . 1 . 1 84 84 TYR HD2 H 1 7.138 . . . . . . . A 84 TYR HD2 . 36631 1 993 . 1 . 1 84 84 TYR HE1 H 1 6.255 . . . . . . . A 84 TYR HE1 . 36631 1 994 . 1 . 1 84 84 TYR HE2 H 1 6.252 . . . . . . . A 84 TYR HE2 . 36631 1 995 . 1 . 1 84 84 TYR HH H 1 6.255 . . 1 . . . . A 84 TYR HH . 36631 1 996 . 1 . 1 84 84 TYR C C 13 171.650 . . 1 . . . . A 84 TYR C . 36631 1 997 . 1 . 1 84 84 TYR CA C 13 55.408 . . 1 . . . . A 84 TYR CA . 36631 1 998 . 1 . 1 84 84 TYR CB C 13 39.193 . . 1 . . . . A 84 TYR CB . 36631 1 999 . 1 . 1 84 84 TYR N N 15 126.590 . . 1 . . . . A 84 TYR N . 36631 1 1000 . 1 . 1 85 85 THR H H 1 8.872 . . 1 . . . . A 85 THR H . 36631 1 1001 . 1 . 1 85 85 THR HA H 1 4.918 . . 1 . . . . A 85 THR HA . 36631 1 1002 . 1 . 1 85 85 THR HB H 1 3.699 . . 1 . . . . A 85 THR HB . 36631 1 1003 . 1 . 1 85 85 THR HG1 H 1 4.649 . . 1 . . . . A 85 THR HG1 . 36631 1 1004 . 1 . 1 85 85 THR HG21 H 1 0.930 . . 1 . . . . A 85 THR HG21 . 36631 1 1005 . 1 . 1 85 85 THR HG22 H 1 0.930 . . 1 . . . . A 85 THR HG22 . 36631 1 1006 . 1 . 1 85 85 THR HG23 H 1 0.930 . . 1 . . . . A 85 THR HG23 . 36631 1 1007 . 1 . 1 85 85 THR C C 13 168.703 . . 1 . . . . A 85 THR C . 36631 1 1008 . 1 . 1 85 85 THR CA C 13 58.694 . . 1 . . . . A 85 THR CA . 36631 1 1009 . 1 . 1 85 85 THR CB C 13 69.819 . . 1 . . . . A 85 THR CB . 36631 1 1010 . 1 . 1 85 85 THR CG2 C 13 19.877 . . 1 . . . . A 85 THR CG2 . 36631 1 1011 . 1 . 1 85 85 THR N N 15 118.036 . . 1 . . . . A 85 THR N . 36631 1 1012 . 1 . 1 86 86 CYS H H 1 8.773 . . 1 . . . . A 86 CYS H . 36631 1 1013 . 1 . 1 86 86 CYS HA H 1 4.118 . . 1 . . . . A 86 CYS HA . 36631 1 1014 . 1 . 1 86 86 CYS HB2 H 1 1.963 . . . . . . . A 86 CYS HB2 . 36631 1 1015 . 1 . 1 86 86 CYS HB3 H 1 2.929 . . . . . . . A 86 CYS HB3 . 36631 1 1016 . 1 . 1 86 86 CYS C C 13 168.634 . . 1 . . . . A 86 CYS C . 36631 1 1017 . 1 . 1 86 86 CYS CA C 13 49.894 . . 1 . . . . A 86 CYS CA . 36631 1 1018 . 1 . 1 86 86 CYS CB C 13 41.143 . . 1 . . . . A 86 CYS CB . 36631 1 1019 . 1 . 1 86 86 CYS N N 15 125.069 . . 1 . . . . A 86 CYS N . 36631 1 1020 . 1 . 1 87 87 GLU H H 1 8.639 . . 1 . . . . A 87 GLU H . 36631 1 1021 . 1 . 1 87 87 GLU HA H 1 5.026 . . 1 . . . . A 87 GLU HA . 36631 1 1022 . 1 . 1 87 87 GLU HB2 H 1 1.520 . . . . . . . A 87 GLU HB2 . 36631 1 1023 . 1 . 1 87 87 GLU HB3 H 1 5.023 . . . . . . . A 87 GLU HB3 . 36631 1 1024 . 1 . 1 87 87 GLU HG2 H 1 1.704 . . . . . . . A 87 GLU HG2 . 36631 1 1025 . 1 . 1 87 87 GLU HG3 H 1 1.795 . . . . . . . A 87 GLU HG3 . 36631 1 1026 . 1 . 1 87 87 GLU C C 13 172.477 . . 1 . . . . A 87 GLU C . 36631 1 1027 . 1 . 1 87 87 GLU CA C 13 51.087 . . 1 . . . . A 87 GLU CA . 36631 1 1028 . 1 . 1 87 87 GLU CB C 13 29.830 . . 1 . . . . A 87 GLU CB . 36631 1 1029 . 1 . 1 87 87 GLU CG C 13 33.658 . . 1 . . . . A 87 GLU CG . 36631 1 1030 . 1 . 1 87 87 GLU N N 15 122.977 . . 1 . . . . A 87 GLU N . 36631 1 1031 . 1 . 1 88 88 ALA H H 1 9.421 . . 1 . . . . A 88 ALA H . 36631 1 1032 . 1 . 1 88 88 ALA HA H 1 5.335 . . 1 . . . . A 88 ALA HA . 36631 1 1033 . 1 . 1 88 88 ALA HB1 H 1 0.938 . . 1 . . . . A 88 ALA HB1 . 36631 1 1034 . 1 . 1 88 88 ALA HB2 H 1 0.938 . . 1 . . . . A 88 ALA HB2 . 36631 1 1035 . 1 . 1 88 88 ALA HB3 H 1 0.938 . . 1 . . . . A 88 ALA HB3 . 36631 1 1036 . 1 . 1 88 88 ALA C C 13 173.347 . . 1 . . . . A 88 ALA C . 36631 1 1037 . 1 . 1 88 88 ALA CA C 13 47.299 . . 1 . . . . A 88 ALA CA . 36631 1 1038 . 1 . 1 88 88 ALA CB C 13 19.283 . . 1 . . . . A 88 ALA CB . 36631 1 1039 . 1 . 1 88 88 ALA N N 15 128.864 . . 1 . . . . A 88 ALA N . 36631 1 1040 . 1 . 1 89 89 THR H H 1 8.815 . . 1 . . . . A 89 THR H . 36631 1 1041 . 1 . 1 89 89 THR HA H 1 4.037 . . 1 . . . . A 89 THR HA . 36631 1 1042 . 1 . 1 89 89 THR HB H 1 3.833 . . 1 . . . . A 89 THR HB . 36631 1 1043 . 1 . 1 89 89 THR HG1 H 1 0.982 . . 1 . . . . A 89 THR HG1 . 36631 1 1044 . 1 . 1 89 89 THR HG21 H 1 0.984 . . 1 . . . . A 89 THR HG21 . 36631 1 1045 . 1 . 1 89 89 THR HG22 H 1 0.984 . . 1 . . . . A 89 THR HG22 . 36631 1 1046 . 1 . 1 89 89 THR HG23 H 1 0.984 . . 1 . . . . A 89 THR HG23 . 36631 1 1047 . 1 . 1 89 89 THR C C 13 170.007 . . 1 . . . . A 89 THR C . 36631 1 1048 . 1 . 1 89 89 THR CA C 13 58.682 . . 1 . . . . A 89 THR CA . 36631 1 1049 . 1 . 1 89 89 THR CB C 13 67.394 . . 1 . . . . A 89 THR CB . 36631 1 1050 . 1 . 1 89 89 THR CG2 C 13 18.630 . . 1 . . . . A 89 THR CG2 . 36631 1 1051 . 1 . 1 89 89 THR N N 15 116.731 . . 1 . . . . A 89 THR N . 36631 1 1052 . 1 . 1 90 90 HIS H H 1 8.816 . . 1 . . . . A 90 HIS H . 36631 1 1053 . 1 . 1 90 90 HIS HA H 1 4.586 . . 1 . . . . A 90 HIS HA . 36631 1 1054 . 1 . 1 90 90 HIS HB2 H 1 2.575 . . . . . . . A 90 HIS HB2 . 36631 1 1055 . 1 . 1 90 90 HIS HB3 H 1 2.615 . . . . . . . A 90 HIS HB3 . 36631 1 1056 . 1 . 1 90 90 HIS HD1 H 1 8.814 . . 1 . . . . A 90 HIS HD1 . 36631 1 1057 . 1 . 1 90 90 HIS HD2 H 1 5.085 . . 1 . . . . A 90 HIS HD2 . 36631 1 1058 . 1 . 1 90 90 HIS HE1 H 1 7.418 . . 1 . . . . A 90 HIS HE1 . 36631 1 1059 . 1 . 1 90 90 HIS C C 13 172.334 . . 1 . . . . A 90 HIS C . 36631 1 1060 . 1 . 1 90 90 HIS CA C 13 54.024 . . 1 . . . . A 90 HIS CA . 36631 1 1061 . 1 . 1 90 90 HIS CB C 13 33.624 . . 1 . . . . A 90 HIS CB . 36631 1 1062 . 1 . 1 90 90 HIS N N 15 127.181 . . 1 . . . . A 90 HIS N . 36631 1 1063 . 1 . 1 90 90 HIS ND1 N 15 127.134 . . 1 . . . . A 90 HIS ND1 . 36631 1 1064 . 1 . 1 91 91 LYS H H 1 8.008 . . 1 . . . . A 91 LYS H . 36631 1 1065 . 1 . 1 91 91 LYS HA H 1 3.908 . . 1 . . . . A 91 LYS HA . 36631 1 1066 . 1 . 1 91 91 LYS HB2 H 1 1.240 . . . . . . . A 91 LYS HB2 . 36631 1 1067 . 1 . 1 91 91 LYS HB3 H 1 1.753 . . . . . . . A 91 LYS HB3 . 36631 1 1068 . 1 . 1 91 91 LYS HG2 H 1 0.989 . . . . . . . A 91 LYS HG2 . 36631 1 1069 . 1 . 1 91 91 LYS HG3 H 1 1.094 . . . . . . . A 91 LYS HG3 . 36631 1 1070 . 1 . 1 91 91 LYS HD2 H 1 1.389 . . . . . . . A 91 LYS HD2 . 36631 1 1071 . 1 . 1 91 91 LYS HD3 H 1 1.476 . . . . . . . A 91 LYS HD3 . 36631 1 1072 . 1 . 1 91 91 LYS HE2 H 1 2.785 . . . . . . . A 91 LYS HE2 . 36631 1 1073 . 1 . 1 91 91 LYS HE3 H 1 2.803 . . . . . . . A 91 LYS HE3 . 36631 1 1074 . 1 . 1 91 91 LYS C C 13 173.457 . . 1 . . . . A 91 LYS C . 36631 1 1075 . 1 . 1 91 91 LYS CA C 13 56.144 . . 1 . . . . A 91 LYS CA . 36631 1 1076 . 1 . 1 91 91 LYS CB C 13 28.550 . . 1 . . . . A 91 LYS CB . 36631 1 1077 . 1 . 1 91 91 LYS CG C 13 20.550 . . 1 . . . . A 91 LYS CG . 36631 1 1078 . 1 . 1 91 91 LYS CD C 13 26.187 . . 1 . . . . A 91 LYS CD . 36631 1 1079 . 1 . 1 91 91 LYS CE C 13 39.228 . . 1 . . . . A 91 LYS CE . 36631 1 1080 . 1 . 1 91 91 LYS N N 15 123.881 . . 1 . . . . A 91 LYS N . 36631 1 1081 . 1 . 1 92 92 THR H H 1 7.359 . . 1 . . . . A 92 THR H . 36631 1 1082 . 1 . 1 92 92 THR HA H 1 4.123 . . 1 . . . . A 92 THR HA . 36631 1 1083 . 1 . 1 92 92 THR HB H 1 4.442 . . 1 . . . . A 92 THR HB . 36631 1 1084 . 1 . 1 92 92 THR HG1 H 1 3.369 . . 1 . . . . A 92 THR HG1 . 36631 1 1085 . 1 . 1 92 92 THR HG21 H 1 1.442 . . 1 . . . . A 92 THR HG21 . 36631 1 1086 . 1 . 1 92 92 THR HG22 H 1 1.442 . . 1 . . . . A 92 THR HG22 . 36631 1 1087 . 1 . 1 92 92 THR HG23 H 1 1.442 . . 1 . . . . A 92 THR HG23 . 36631 1 1088 . 1 . 1 92 92 THR C C 13 172.214 . . 1 . . . . A 92 THR C . 36631 1 1089 . 1 . 1 92 92 THR CA C 13 60.009 . . 1 . . . . A 92 THR CA . 36631 1 1090 . 1 . 1 92 92 THR CB C 13 67.920 . . 1 . . . . A 92 THR CB . 36631 1 1091 . 1 . 1 92 92 THR CG2 C 13 21.160 . . 1 . . . . A 92 THR CG2 . 36631 1 1092 . 1 . 1 92 92 THR N N 15 108.730 . . 1 . . . . A 92 THR N . 36631 1 1093 . 1 . 1 93 93 SER H H 1 7.979 . . 1 . . . . A 93 SER H . 36631 1 1094 . 1 . 1 93 93 SER HA H 1 4.856 . . 1 . . . . A 93 SER HA . 36631 1 1095 . 1 . 1 93 93 SER HB2 H 1 3.820 . . . . . . . A 93 SER HB2 . 36631 1 1096 . 1 . 1 93 93 SER HB3 H 1 3.874 . . . . . . . A 93 SER HB3 . 36631 1 1097 . 1 . 1 93 93 SER HG H 1 4.818 . . 1 . . . . A 93 SER HG . 36631 1 1098 . 1 . 1 93 93 SER C C 13 172.231 . . 1 . . . . A 93 SER C . 36631 1 1099 . 1 . 1 93 93 SER CA C 13 54.808 . . 1 . . . . A 93 SER CA . 36631 1 1100 . 1 . 1 93 93 SER CB C 13 61.788 . . 1 . . . . A 93 SER CB . 36631 1 1101 . 1 . 1 93 93 SER N N 15 114.981 . . 1 . . . . A 93 SER N . 36631 1 1102 . 1 . 1 94 94 THR H H 1 8.658 . . 1 . . . . A 94 THR H . 36631 1 1103 . 1 . 1 94 94 THR HA H 1 4.136 . . 1 . . . . A 94 THR HA . 36631 1 1104 . 1 . 1 94 94 THR HB H 1 4.310 . . 1 . . . . A 94 THR HB . 36631 1 1105 . 1 . 1 94 94 THR HG1 H 1 4.755 . . 1 . . . . A 94 THR HG1 . 36631 1 1106 . 1 . 1 94 94 THR HG21 H 1 1.217 . . 1 . . . . A 94 THR HG21 . 36631 1 1107 . 1 . 1 94 94 THR HG22 H 1 1.217 . . 1 . . . . A 94 THR HG22 . 36631 1 1108 . 1 . 1 94 94 THR HG23 H 1 1.217 . . 1 . . . . A 94 THR HG23 . 36631 1 1109 . 1 . 1 94 94 THR C C 13 172.390 . . 1 . . . . A 94 THR C . 36631 1 1110 . 1 . 1 94 94 THR CA C 13 60.794 . . 1 . . . . A 94 THR CA . 36631 1 1111 . 1 . 1 94 94 THR CB C 13 66.081 . . 1 . . . . A 94 THR CB . 36631 1 1112 . 1 . 1 94 94 THR CG2 C 13 19.239 . . 1 . . . . A 94 THR CG2 . 36631 1 1113 . 1 . 1 94 94 THR N N 15 118.554 . . 1 . . . . A 94 THR N . 36631 1 1114 . 1 . 1 95 95 SER H H 1 7.987 . . 1 . . . . A 95 SER H . 36631 1 1115 . 1 . 1 95 95 SER HA H 1 4.852 . . 1 . . . . A 95 SER HA . 36631 1 1116 . 1 . 1 95 95 SER HB2 H 1 3.677 . . . . . . . A 95 SER HB2 . 36631 1 1117 . 1 . 1 95 95 SER HB3 H 1 3.764 . . . . . . . A 95 SER HB3 . 36631 1 1118 . 1 . 1 95 95 SER HG H 1 4.143 . . 1 . . . . A 95 SER HG . 36631 1 1119 . 1 . 1 95 95 SER C C 13 169.451 . . 1 . . . . A 95 SER C . 36631 1 1120 . 1 . 1 95 95 SER CA C 13 53.491 . . 1 . . . . A 95 SER CA . 36631 1 1121 . 1 . 1 95 95 SER CB C 13 61.084 . . 1 . . . . A 95 SER CB . 36631 1 1122 . 1 . 1 95 95 SER N N 15 117.516 . . 1 . . . . A 95 SER N . 36631 1 1123 . 1 . 1 96 96 PRO HA H 1 4.470 . . 1 . . . . A 96 PRO HA . 36631 1 1124 . 1 . 1 96 96 PRO HB2 H 1 1.330 . . . . . . . A 96 PRO HB2 . 36631 1 1125 . 1 . 1 96 96 PRO HB3 H 1 1.896 . . . . . . . A 96 PRO HB3 . 36631 1 1126 . 1 . 1 96 96 PRO HG2 H 1 1.763 . . . . . . . A 96 PRO HG2 . 36631 1 1127 . 1 . 1 96 96 PRO HG3 H 1 1.767 . . . . . . . A 96 PRO HG3 . 36631 1 1128 . 1 . 1 96 96 PRO HD2 H 1 3.548 . . . . . . . A 96 PRO HD2 . 36631 1 1129 . 1 . 1 96 96 PRO HD3 H 1 3.743 . . . . . . . A 96 PRO HD3 . 36631 1 1130 . 1 . 1 96 96 PRO C C 13 173.351 . . 1 . . . . A 96 PRO C . 36631 1 1131 . 1 . 1 96 96 PRO CA C 13 60.028 . . 1 . . . . A 96 PRO CA . 36631 1 1132 . 1 . 1 96 96 PRO CB C 13 29.233 . . 1 . . . . A 96 PRO CB . 36631 1 1133 . 1 . 1 96 96 PRO CG C 13 24.326 . . 1 . . . . A 96 PRO CG . 36631 1 1134 . 1 . 1 96 96 PRO CD C 13 47.992 . . 1 . . . . A 96 PRO CD . 36631 1 1135 . 1 . 1 97 97 ILE H H 1 9.130 . . 1 . . . . A 97 ILE H . 36631 1 1136 . 1 . 1 97 97 ILE HA H 1 4.038 . . 1 . . . . A 97 ILE HA . 36631 1 1137 . 1 . 1 97 97 ILE HB H 1 1.581 . . 1 . . . . A 97 ILE HB . 36631 1 1138 . 1 . 1 97 97 ILE HG12 H 1 1.044 . . . . . . . A 97 ILE HG12 . 36631 1 1139 . 1 . 1 97 97 ILE HG13 H 1 1.599 . . . . . . . A 97 ILE HG13 . 36631 1 1140 . 1 . 1 97 97 ILE HG21 H 1 0.772 . . 1 . . . . A 97 ILE HG21 . 36631 1 1141 . 1 . 1 97 97 ILE HG22 H 1 0.772 . . 1 . . . . A 97 ILE HG22 . 36631 1 1142 . 1 . 1 97 97 ILE HG23 H 1 0.772 . . 1 . . . . A 97 ILE HG23 . 36631 1 1143 . 1 . 1 97 97 ILE HD11 H 1 0.801 . . 1 . . . . A 97 ILE HD11 . 36631 1 1144 . 1 . 1 97 97 ILE HD12 H 1 0.801 . . 1 . . . . A 97 ILE HD12 . 36631 1 1145 . 1 . 1 97 97 ILE HD13 H 1 0.801 . . 1 . . . . A 97 ILE HD13 . 36631 1 1146 . 1 . 1 97 97 ILE C C 13 172.482 . . 1 . . . . A 97 ILE C . 36631 1 1147 . 1 . 1 97 97 ILE CA C 13 58.727 . . 1 . . . . A 97 ILE CA . 36631 1 1148 . 1 . 1 97 97 ILE CB C 13 36.661 . . 1 . . . . A 97 ILE CB . 36631 1 1149 . 1 . 1 97 97 ILE CG1 C 13 24.847 . . 1 . . . . A 97 ILE CG1 . 36631 1 1150 . 1 . 1 97 97 ILE CG2 C 13 15.472 . . 1 . . . . A 97 ILE CG2 . 36631 1 1151 . 1 . 1 97 97 ILE CD1 C 13 11.760 . . 1 . . . . A 97 ILE CD1 . 36631 1 1152 . 1 . 1 97 97 ILE N N 15 125.373 . . 1 . . . . A 97 ILE N . 36631 1 1153 . 1 . 1 98 98 VAL H H 1 8.301 . . 1 . . . . A 98 VAL H . 36631 1 1154 . 1 . 1 98 98 VAL HA H 1 4.720 . . 1 . . . . A 98 VAL HA . 36631 1 1155 . 1 . 1 98 98 VAL HB H 1 1.761 . . 1 . . . . A 98 VAL HB . 36631 1 1156 . 1 . 1 98 98 VAL HG11 H 1 0.667 . . . . . . . A 98 VAL HG11 . 36631 1 1157 . 1 . 1 98 98 VAL HG12 H 1 0.667 . . . . . . . A 98 VAL HG12 . 36631 1 1158 . 1 . 1 98 98 VAL HG13 H 1 0.667 . . . . . . . A 98 VAL HG13 . 36631 1 1159 . 1 . 1 98 98 VAL HG21 H 1 0.666 . . . . . . . A 98 VAL HG21 . 36631 1 1160 . 1 . 1 98 98 VAL HG22 H 1 0.666 . . . . . . . A 98 VAL HG22 . 36631 1 1161 . 1 . 1 98 98 VAL HG23 H 1 0.666 . . . . . . . A 98 VAL HG23 . 36631 1 1162 . 1 . 1 98 98 VAL C C 13 173.291 . . 1 . . . . A 98 VAL C . 36631 1 1163 . 1 . 1 98 98 VAL CA C 13 58.399 . . 1 . . . . A 98 VAL CA . 36631 1 1164 . 1 . 1 98 98 VAL CB C 13 31.693 . . 1 . . . . A 98 VAL CB . 36631 1 1165 . 1 . 1 98 98 VAL CG1 C 13 18.630 . . . . . . . A 98 VAL CG1 . 36631 1 1166 . 1 . 1 98 98 VAL CG2 C 13 18.630 . . . . . . . A 98 VAL CG2 . 36631 1 1167 . 1 . 1 98 98 VAL N N 15 125.935 . . 1 . . . . A 98 VAL N . 36631 1 1168 . 1 . 1 99 99 LYS H H 1 8.575 . . 1 . . . . A 99 LYS H . 36631 1 1169 . 1 . 1 99 99 LYS HA H 1 4.651 . . 1 . . . . A 99 LYS HA . 36631 1 1170 . 1 . 1 99 99 LYS HB2 H 1 1.683 . . . . . . . A 99 LYS HB2 . 36631 1 1171 . 1 . 1 99 99 LYS HB3 H 1 1.684 . . . . . . . A 99 LYS HB3 . 36631 1 1172 . 1 . 1 99 99 LYS HG2 H 1 1.094 . . . . . . . A 99 LYS HG2 . 36631 1 1173 . 1 . 1 99 99 LYS HG3 H 1 1.280 . . . . . . . A 99 LYS HG3 . 36631 1 1174 . 1 . 1 99 99 LYS HD2 H 1 1.760 . . . . . . . A 99 LYS HD2 . 36631 1 1175 . 1 . 1 99 99 LYS HD3 H 1 1.868 . . . . . . . A 99 LYS HD3 . 36631 1 1176 . 1 . 1 99 99 LYS HE2 H 1 3.108 . . . . . . . A 99 LYS HE2 . 36631 1 1177 . 1 . 1 99 99 LYS HE3 H 1 3.119 . . . . . . . A 99 LYS HE3 . 36631 1 1178 . 1 . 1 99 99 LYS C C 13 171.250 . . 1 . . . . A 99 LYS C . 36631 1 1179 . 1 . 1 99 99 LYS CA C 13 51.223 . . 1 . . . . A 99 LYS CA . 36631 1 1180 . 1 . 1 99 99 LYS CB C 13 33.003 . . 1 . . . . A 99 LYS CB . 36631 1 1181 . 1 . 1 99 99 LYS CG C 13 22.305 . . 1 . . . . A 99 LYS CG . 36631 1 1182 . 1 . 1 99 99 LYS CD C 13 25.553 . . 1 . . . . A 99 LYS CD . 36631 1 1183 . 1 . 1 99 99 LYS CE C 13 39.796 . . 1 . . . . A 99 LYS CE . 36631 1 1184 . 1 . 1 99 99 LYS N N 15 126.809 . . 1 . . . . A 99 LYS N . 36631 1 1185 . 1 . 1 100 100 SER H H 1 8.450 . . 1 . . . . A 100 SER H . 36631 1 1186 . 1 . 1 100 100 SER HA H 1 5.744 . . 1 . . . . A 100 SER HA . 36631 1 1187 . 1 . 1 100 100 SER HB2 H 1 3.464 . . . . . . . A 100 SER HB2 . 36631 1 1188 . 1 . 1 100 100 SER HB3 H 1 3.466 . . . . . . . A 100 SER HB3 . 36631 1 1189 . 1 . 1 100 100 SER HG H 1 8.980 . . 1 . . . . A 100 SER HG . 36631 1 1190 . 1 . 1 100 100 SER C C 13 170.801 . . 1 . . . . A 100 SER C . 36631 1 1191 . 1 . 1 100 100 SER CA C 13 54.180 . . 1 . . . . A 100 SER CA . 36631 1 1192 . 1 . 1 100 100 SER CB C 13 64.205 . . 1 . . . . A 100 SER CB . 36631 1 1193 . 1 . 1 100 100 SER N N 15 116.470 . . 1 . . . . A 100 SER N . 36631 1 1194 . 1 . 1 101 101 PHE H H 1 8.992 . . 1 . . . . A 101 PHE H . 36631 1 1195 . 1 . 1 101 101 PHE HA H 1 4.867 . . 1 . . . . A 101 PHE HA . 36631 1 1196 . 1 . 1 101 101 PHE HB2 H 1 2.941 . . . . . . . A 101 PHE HB2 . 36631 1 1197 . 1 . 1 101 101 PHE HB3 H 1 3.122 . . . . . . . A 101 PHE HB3 . 36631 1 1198 . 1 . 1 101 101 PHE HD1 H 1 6.742 . . . . . . . A 101 PHE HD1 . 36631 1 1199 . 1 . 1 101 101 PHE HD2 H 1 7.079 . . . . . . . A 101 PHE HD2 . 36631 1 1200 . 1 . 1 101 101 PHE HE1 H 1 4.650 . . . . . . . A 101 PHE HE1 . 36631 1 1201 . 1 . 1 101 101 PHE HE2 H 1 7.362 . . . . . . . A 101 PHE HE2 . 36631 1 1202 . 1 . 1 101 101 PHE HZ H 1 7.307 . . 1 . . . . A 101 PHE HZ . 36631 1 1203 . 1 . 1 101 101 PHE C C 13 169.236 . . 1 . . . . A 101 PHE C . 36631 1 1204 . 1 . 1 101 101 PHE CA C 13 54.268 . . 1 . . . . A 101 PHE CA . 36631 1 1205 . 1 . 1 101 101 PHE CB C 13 39.823 . . 1 . . . . A 101 PHE CB . 36631 1 1206 . 1 . 1 101 101 PHE N N 15 121.397 . . 1 . . . . A 101 PHE N . 36631 1 1207 . 1 . 1 102 102 ASN H H 1 8.507 . . 1 . . . . A 102 ASN H . 36631 1 1208 . 1 . 1 102 102 ASN HA H 1 5.465 . . 1 . . . . A 102 ASN HA . 36631 1 1209 . 1 . 1 102 102 ASN HB2 H 1 2.517 . . . . . . . A 102 ASN HB2 . 36631 1 1210 . 1 . 1 102 102 ASN HB3 H 1 2.606 . . . . . . . A 102 ASN HB3 . 36631 1 1211 . 1 . 1 102 102 ASN HD21 H 1 6.743 . . . . . . . A 102 ASN HD21 . 36631 1 1212 . 1 . 1 102 102 ASN HD22 H 1 7.479 . . . . . . . A 102 ASN HD22 . 36631 1 1213 . 1 . 1 102 102 ASN C C 13 172.857 . . 1 . . . . A 102 ASN C . 36631 1 1214 . 1 . 1 102 102 ASN CA C 13 48.005 . . 1 . . . . A 102 ASN CA . 36631 1 1215 . 1 . 1 102 102 ASN CB C 13 37.387 . . 1 . . . . A 102 ASN CB . 36631 1 1216 . 1 . 1 102 102 ASN N N 15 121.372 . . 1 . . . . A 102 ASN N . 36631 1 1217 . 1 . 1 102 102 ASN ND2 N 15 113.527 . . 1 . . . . A 102 ASN ND2 . 36631 1 1218 . 1 . 1 103 103 ARG H H 1 9.317 . . 1 . . . . A 103 ARG H . 36631 1 1219 . 1 . 1 103 103 ARG HA H 1 4.094 . . 1 . . . . A 103 ARG HA . 36631 1 1220 . 1 . 1 103 103 ARG HB2 H 1 1.816 . . . . . . . A 103 ARG HB2 . 36631 1 1221 . 1 . 1 103 103 ARG HB3 H 1 1.977 . . . . . . . A 103 ARG HB3 . 36631 1 1222 . 1 . 1 103 103 ARG HG2 H 1 1.698 . . . . . . . A 103 ARG HG2 . 36631 1 1223 . 1 . 1 103 103 ARG HG3 H 1 1.702 . . . . . . . A 103 ARG HG3 . 36631 1 1224 . 1 . 1 103 103 ARG HD2 H 1 2.700 . . . . . . . A 103 ARG HD2 . 36631 1 1225 . 1 . 1 103 103 ARG HD3 H 1 3.107 . . . . . . . A 103 ARG HD3 . 36631 1 1226 . 1 . 1 103 103 ARG HE H 1 8.750 . . 1 . . . . A 103 ARG HE . 36631 1 1227 . 1 . 1 103 103 ARG C C 13 174.394 . . 1 . . . . A 103 ARG C . 36631 1 1228 . 1 . 1 103 103 ARG CA C 13 56.451 . . 1 . . . . A 103 ARG CA . 36631 1 1229 . 1 . 1 103 103 ARG CB C 13 28.029 . . 1 . . . . A 103 ARG CB . 36631 1 1230 . 1 . 1 103 103 ARG CG C 13 24.912 . . 1 . . . . A 103 ARG CG . 36631 1 1231 . 1 . 1 103 103 ARG CD C 13 39.946 . . 1 . . . . A 103 ARG CD . 36631 1 1232 . 1 . 1 103 103 ARG N N 15 125.950 . . 1 . . . . A 103 ARG N . 36631 1 1233 . 1 . 1 104 104 ASN H H 1 8.757 . . 1 . . . . A 104 ASN H . 36631 1 1234 . 1 . 1 104 104 ASN HA H 1 6.751 . . 1 . . . . A 104 ASN HA . 36631 1 1235 . 1 . 1 104 104 ASN HB2 H 1 2.723 . . . . . . . A 104 ASN HB2 . 36631 1 1236 . 1 . 1 104 104 ASN HB3 H 1 2.722 . . . . . . . A 104 ASN HB3 . 36631 1 1237 . 1 . 1 104 104 ASN HD21 H 1 6.822 . . . . . . . A 104 ASN HD21 . 36631 1 1238 . 1 . 1 104 104 ASN HD22 H 1 7.482 . . . . . . . A 104 ASN HD22 . 36631 1 1239 . 1 . 1 104 104 ASN C C 13 172.820 . . 1 . . . . A 104 ASN C . 36631 1 1240 . 1 . 1 104 104 ASN CA C 13 50.710 . . 1 . . . . A 104 ASN CA . 36631 1 1241 . 1 . 1 104 104 ASN CB C 13 35.554 . . 1 . . . . A 104 ASN CB . 36631 1 1242 . 1 . 1 104 104 ASN N N 15 116.454 . . 1 . . . . A 104 ASN N . 36631 1 1243 . 1 . 1 104 104 ASN ND2 N 15 114.775 . . 1 . . . . A 104 ASN ND2 . 36631 1 1244 . 1 . 1 105 105 GLU H H 1 7.981 . . 1 . . . . A 105 GLU H . 36631 1 1245 . 1 . 1 105 105 GLU HA H 1 4.270 . . 1 . . . . A 105 GLU HA . 36631 1 1246 . 1 . 1 105 105 GLU HB2 H 1 1.968 . . . . . . . A 105 GLU HB2 . 36631 1 1247 . 1 . 1 105 105 GLU HB3 H 1 2.115 . . . . . . . A 105 GLU HB3 . 36631 1 1248 . 1 . 1 105 105 GLU HG2 H 1 2.233 . . . . . . . A 105 GLU HG2 . 36631 1 1249 . 1 . 1 105 105 GLU HG3 H 1 2.639 . . . . . . . A 105 GLU HG3 . 36631 1 1250 . 1 . 1 105 105 GLU C C 13 174.204 . . 1 . . . . A 105 GLU C . 36631 1 1251 . 1 . 1 105 105 GLU CA C 13 54.222 . . 1 . . . . A 105 GLU CA . 36631 1 1252 . 1 . 1 105 105 GLU CB C 13 27.413 . . 1 . . . . A 105 GLU CB . 36631 1 1253 . 1 . 1 105 105 GLU CG C 13 33.628 . . 1 . . . . A 105 GLU CG . 36631 1 1254 . 1 . 1 105 105 GLU N N 15 120.530 . . 1 . . . . A 105 GLU N . 36631 1 1255 . 1 . 1 106 106 SER H H 1 8.111 . . 1 . . . . A 106 SER H . 36631 1 1256 . 1 . 1 106 106 SER HA H 1 4.384 . . 1 . . . . A 106 SER HA . 36631 1 1257 . 1 . 1 106 106 SER HB2 H 1 3.872 . . . . . . . A 106 SER HB2 . 36631 1 1258 . 1 . 1 106 106 SER HB3 H 1 3.872 . . . . . . . A 106 SER HB3 . 36631 1 1259 . 1 . 1 106 106 SER HG H 1 6.977 . . 1 . . . . A 106 SER HG . 36631 1 1260 . 1 . 1 106 106 SER C C 13 171.980 . . 1 . . . . A 106 SER C . 36631 1 1261 . 1 . 1 106 106 SER CA C 13 56.632 . . 1 . . . . A 106 SER CA . 36631 1 1262 . 1 . 1 106 106 SER CB C 13 61.152 . . 1 . . . . A 106 SER CB . 36631 1 1263 . 1 . 1 106 106 SER N N 15 115.568 . . 1 . . . . A 106 SER N . 36631 1 1264 . 1 . 1 107 107 GLU H H 1 8.294 . . 1 . . . . A 107 GLU H . 36631 1 1265 . 1 . 1 107 107 GLU HA H 1 4.201 . . 1 . . . . A 107 GLU HA . 36631 1 1266 . 1 . 1 107 107 GLU HB2 H 1 1.911 . . . . . . . A 107 GLU HB2 . 36631 1 1267 . 1 . 1 107 107 GLU HB3 H 1 1.981 . . . . . . . A 107 GLU HB3 . 36631 1 1268 . 1 . 1 107 107 GLU HG2 H 1 1.915 . . . . . . . A 107 GLU HG2 . 36631 1 1269 . 1 . 1 107 107 GLU HG3 H 1 2.198 . . . . . . . A 107 GLU HG3 . 36631 1 1270 . 1 . 1 107 107 GLU C C 13 173.477 . . 1 . . . . A 107 GLU C . 36631 1 1271 . 1 . 1 107 107 GLU CA C 13 54.269 . . 1 . . . . A 107 GLU CA . 36631 1 1272 . 1 . 1 107 107 GLU CB C 13 27.390 . . 1 . . . . A 107 GLU CB . 36631 1 1273 . 1 . 1 107 107 GLU CG C 13 33.654 . . 1 . . . . A 107 GLU CG . 36631 1 1274 . 1 . 1 107 107 GLU N N 15 121.969 . . 1 . . . . A 107 GLU N . 36631 1 1275 . 1 . 1 108 108 ASN H H 1 8.244 . . 1 . . . . A 108 ASN H . 36631 1 1276 . 1 . 1 108 108 ASN HA H 1 4.662 . . 1 . . . . A 108 ASN HA . 36631 1 1277 . 1 . 1 108 108 ASN HB2 H 1 2.649 . . . . . . . A 108 ASN HB2 . 36631 1 1278 . 1 . 1 108 108 ASN HB3 H 1 2.705 . . . . . . . A 108 ASN HB3 . 36631 1 1279 . 1 . 1 108 108 ASN HD21 H 1 6.820 . . . . . . . A 108 ASN HD21 . 36631 1 1280 . 1 . 1 108 108 ASN HD22 H 1 7.481 . . . . . . . A 108 ASN HD22 . 36631 1 1281 . 1 . 1 108 108 ASN C C 13 172.171 . . 1 . . . . A 108 ASN C . 36631 1 1282 . 1 . 1 108 108 ASN CA C 13 50.658 . . 1 . . . . A 108 ASN CA . 36631 1 1283 . 1 . 1 108 108 ASN CB C 13 36.123 . . 1 . . . . A 108 ASN CB . 36631 1 1284 . 1 . 1 108 108 ASN N N 15 118.743 . . 1 . . . . A 108 ASN N . 36631 1 1285 . 1 . 1 108 108 ASN ND2 N 15 112.403 . . 1 . . . . A 108 ASN ND2 . 36631 1 1286 . 1 . 1 109 109 LEU H H 1 7.933 . . 1 . . . . A 109 LEU H . 36631 1 1287 . 1 . 1 109 109 LEU HA H 1 4.168 . . 1 . . . . A 109 LEU HA . 36631 1 1288 . 1 . 1 109 109 LEU HB2 H 1 1.243 . . . . . . . A 109 LEU HB2 . 36631 1 1289 . 1 . 1 109 109 LEU HB3 H 1 1.404 . . . . . . . A 109 LEU HB3 . 36631 1 1290 . 1 . 1 109 109 LEU HG H 1 1.410 . . 1 . . . . A 109 LEU HG . 36631 1 1291 . 1 . 1 109 109 LEU HD11 H 1 0.753 . . . . . . . A 109 LEU HD11 . 36631 1 1292 . 1 . 1 109 109 LEU HD12 H 1 0.753 . . . . . . . A 109 LEU HD12 . 36631 1 1293 . 1 . 1 109 109 LEU HD13 H 1 0.753 . . . . . . . A 109 LEU HD13 . 36631 1 1294 . 1 . 1 109 109 LEU HD21 H 1 0.811 . . . . . . . A 109 LEU HD21 . 36631 1 1295 . 1 . 1 109 109 LEU HD22 H 1 0.811 . . . . . . . A 109 LEU HD22 . 36631 1 1296 . 1 . 1 109 109 LEU HD23 H 1 0.811 . . . . . . . A 109 LEU HD23 . 36631 1 1297 . 1 . 1 109 109 LEU C C 13 174.040 . . 1 . . . . A 109 LEU C . 36631 1 1298 . 1 . 1 109 109 LEU CA C 13 52.508 . . 1 . . . . A 109 LEU CA . 36631 1 1299 . 1 . 1 109 109 LEU CB C 13 39.795 . . 1 . . . . A 109 LEU CB . 36631 1 1300 . 1 . 1 109 109 LEU CG C 13 24.222 . . 1 . . . . A 109 LEU CG . 36631 1 1301 . 1 . 1 109 109 LEU CD1 C 13 20.960 . . . . . . . A 109 LEU CD1 . 36631 1 1302 . 1 . 1 109 109 LEU CD2 C 13 22.296 . . . . . . . A 109 LEU CD2 . 36631 1 1303 . 1 . 1 109 109 LEU N N 15 121.846 . . 1 . . . . A 109 LEU N . 36631 1 1304 . 1 . 1 110 110 TYR H H 1 7.894 . . 1 . . . . A 110 TYR H . 36631 1 1305 . 1 . 1 110 110 TYR HA H 1 4.476 . . 1 . . . . A 110 TYR HA . 36631 1 1306 . 1 . 1 110 110 TYR HB2 H 1 2.758 . . . . . . . A 110 TYR HB2 . 36631 1 1307 . 1 . 1 110 110 TYR HB3 H 1 2.904 . . . . . . . A 110 TYR HB3 . 36631 1 1308 . 1 . 1 110 110 TYR HD1 H 1 6.985 . . . . . . . A 110 TYR HD1 . 36631 1 1309 . 1 . 1 110 110 TYR HD2 H 1 6.987 . . . . . . . A 110 TYR HD2 . 36631 1 1310 . 1 . 1 110 110 TYR HE1 H 1 7.196 . . . . . . . A 110 TYR HE1 . 36631 1 1311 . 1 . 1 110 110 TYR C C 13 172.388 . . 1 . . . . A 110 TYR C . 36631 1 1312 . 1 . 1 110 110 TYR CA C 13 54.890 . . 1 . . . . A 110 TYR CA . 36631 1 1313 . 1 . 1 110 110 TYR CB C 13 36.134 . . 1 . . . . A 110 TYR CB . 36631 1 1314 . 1 . 1 110 110 TYR N N 15 119.424 . . 1 . . . . A 110 TYR N . 36631 1 1315 . 1 . 1 111 111 PHE H H 1 7.937 . . 1 . . . . A 111 PHE H . 36631 1 1316 . 1 . 1 111 111 PHE HA H 1 4.201 . . 1 . . . . A 111 PHE HA . 36631 1 1317 . 1 . 1 111 111 PHE HB2 H 1 2.904 . . . . . . . A 111 PHE HB2 . 36631 1 1318 . 1 . 1 111 111 PHE HB3 H 1 3.093 . . . . . . . A 111 PHE HB3 . 36631 1 1319 . 1 . 1 111 111 PHE HD1 H 1 7.149 . . . . . . . A 111 PHE HD1 . 36631 1 1320 . 1 . 1 111 111 PHE HD2 H 1 7.695 . . . . . . . A 111 PHE HD2 . 36631 1 1321 . 1 . 1 111 111 PHE HE1 H 1 7.171 . . . . . . . A 111 PHE HE1 . 36631 1 1322 . 1 . 1 111 111 PHE HE2 H 1 7.695 . . . . . . . A 111 PHE HE2 . 36631 1 1323 . 1 . 1 111 111 PHE HZ H 1 4.367 . . 1 . . . . A 111 PHE HZ . 36631 1 1324 . 1 . 1 111 111 PHE C C 13 171.784 . . 1 . . . . A 111 PHE C . 36631 1 1325 . 1 . 1 111 111 PHE CA C 13 54.785 . . 1 . . . . A 111 PHE CA . 36631 1 1326 . 1 . 1 111 111 PHE CB C 13 36.764 . . 1 . . . . A 111 PHE CB . 36631 1 1327 . 1 . 1 111 111 PHE N N 15 121.496 . . 1 . . . . A 111 PHE N . 36631 1 1328 . 1 . 1 112 112 GLN H H 1 7.694 . . 1 . . . . A 112 GLN H . 36631 1 1329 . 1 . 1 112 112 GLN HA H 1 4.056 . . 1 . . . . A 112 GLN HA . 36631 1 1330 . 1 . 1 112 112 GLN HB2 H 1 1.828 . . . . . . . A 112 GLN HB2 . 36631 1 1331 . 1 . 1 112 112 GLN HB3 H 1 2.001 . . . . . . . A 112 GLN HB3 . 36631 1 1332 . 1 . 1 112 112 GLN HG2 H 1 2.005 . . . . . . . A 112 GLN HG2 . 36631 1 1333 . 1 . 1 112 112 GLN HG3 H 1 2.166 . . . . . . . A 112 GLN HG3 . 36631 1 1334 . 1 . 1 112 112 GLN HE21 H 1 6.739 . . . . . . . A 112 GLN HE21 . 36631 1 1335 . 1 . 1 112 112 GLN HE22 H 1 7.422 . . . . . . . A 112 GLN HE22 . 36631 1 1336 . 1 . 1 112 112 GLN C C 13 177.458 . . 1 . . . . A 112 GLN C . 36631 1 1337 . 1 . 1 112 112 GLN CA C 13 54.764 . . 1 . . . . A 112 GLN CA . 36631 1 1338 . 1 . 1 112 112 GLN CB C 13 27.952 . . 1 . . . . A 112 GLN CB . 36631 1 1339 . 1 . 1 112 112 GLN CG C 13 31.365 . . 1 . . . . A 112 GLN CG . 36631 1 1340 . 1 . 1 112 112 GLN N N 15 126.075 . . 1 . . . . A 112 GLN N . 36631 1 1341 . 1 . 1 112 112 GLN NE2 N 15 111.817 . . 1 . . . . A 112 GLN NE2 . 36631 1 stop_ save_