data_11532 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11532 _Entry.Title ; solution structure of oxidized human HMGB1 A box ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-12 _Entry.Accession_date 2013-09-16 _Entry.Last_release_date 2014-03-03 _Entry.Original_release_date 2014-03-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.44 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Wang Jing . . . 11532 2 Naoya Tochio . . . 11532 3 Shin-ichi Tate . . . 11532 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11532 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'disulfide bond' . 11532 'High Mobility Group Box 1' . 11532 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11532 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 398 11532 '15N chemical shifts' 87 11532 '1H chemical shifts' 572 11532 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-03-03 2013-09-12 original author . 11532 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11532 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24513216 _Citation.Full_citation . _Citation.Title 'Redox-sensitive structural change in the A-domain of HMGB1 and its implication for the binding to cisplatin modified DNA' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Wang Jing . . . 11532 1 2 Naoya Tochio . . . 11532 1 3 Shin-ichi Tate . . . 11532 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11532 _Assembly.ID 1 _Assembly.Name 'oxidized human HMGB1 A box' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 11532 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 entity 1 CYS 26 26 SG . 1 entity 1 CYS 48 48 SG . . 26 CYS . . . 48 CYS . 11532 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID 1 . 1 1 CYS 26 26 HG . 26 . . 11532 1 2 . 1 1 CYS 48 48 HG . 48 . . 11532 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2RTU . . . . 'Structure from this entry' . 11532 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 11532 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMGKGDPKKPRGKMSSYA FFVQTCREEHKKKHPDASVN FSEFSKKCSERWKTMSAKEK GKFEDMAKADKARYEREMKT YIPPKGE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10118.729 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11147 . "HMG box domain" . . . . . 98.85 173 98.84 98.84 6.79e-52 . . . . 11532 1 2 no BMRB 15148 . HMGB1_ABbtail . . . . . 95.40 187 100.00 100.00 8.61e-51 . . . . 11532 1 3 no BMRB 15149 . HMGB1_Full_Length . . . . . 95.40 214 100.00 100.00 7.25e-51 . . . . 11532 1 4 no BMRB 15502 . HMGB1 . . . . . 95.40 214 100.00 100.00 7.25e-51 . . . . 11532 1 5 no BMRB 18709 . entity_1 . . . . . 95.40 83 100.00 100.00 1.40e-51 . . . . 11532 1 6 no BMRB 4079 . "A-domain of HMG1" . . . . . 95.40 83 98.80 98.80 2.10e-50 . . . . 11532 1 7 no PDB 1AAB . "Nmr Structure Of Rat Hmg1 Hmga Fragment" . . . . . 95.40 83 98.80 98.80 2.10e-50 . . . . 11532 1 8 no PDB 1CKT . "Crystal Structure Of Hmg1 Domain A Bound To A Cisplatin-modified Dna Duplex" . . . . . 81.61 71 100.00 100.00 3.91e-42 . . . . 11532 1 9 no PDB 2LY4 . "Hmgb1-Facilitated P53 Dna Binding Occurs Via Hmg-BoxP53 Transactivation Domain Interaction And Is Regulated By The Acidic Tail" . . . . . 95.40 83 100.00 100.00 1.40e-51 . . . . 11532 1 10 no PDB 2RTU . "Solution Structure Of Oxidized Human Hmgb1 A Box" . . . . . 100.00 87 100.00 100.00 5.22e-55 . . . . 11532 1 11 no PDB 2YRQ . "Solution Structure Of The Tandem Hmg Box Domain From Human High Mobility Group Protein B1" . . . . . 98.85 173 98.84 98.84 6.79e-52 . . . . 11532 1 12 no PDB 4QR9 . "Crystal Structure Of Two Hmgb1 Box A Domains Cooperating To Underwind And Kink A Dna" . . . . . 85.06 76 100.00 100.00 5.75e-45 . . . . 11532 1 13 no DBJ BAA09924 . "HMG-1 [Homo sapiens]" . . . . . 96.55 215 98.81 98.81 1.87e-50 . . . . 11532 1 14 no DBJ BAC29902 . "unnamed protein product [Mus musculus]" . . . . . 96.55 215 100.00 100.00 9.14e-52 . . . . 11532 1 15 no DBJ BAC34367 . "unnamed protein product [Mus musculus]" . . . . . 96.55 178 100.00 100.00 1.36e-51 . . . . 11532 1 16 no DBJ BAC34773 . "unnamed protein product [Mus musculus]" . . . . . 96.55 215 100.00 100.00 7.21e-52 . . . . 11532 1 17 no DBJ BAC38678 . "unnamed protein product [Mus musculus]" . . . . . 96.55 181 100.00 100.00 1.21e-51 . . . . 11532 1 18 no EMBL CAA31110 . "unnamed protein product [Homo sapiens]" . . . . . 96.55 215 100.00 100.00 9.14e-52 . . . . 11532 1 19 no EMBL CAA31284 . "unnamed protein product [Bos taurus]" . . . . . 96.55 215 100.00 100.00 9.14e-52 . . . . 11532 1 20 no EMBL CAA56631 . "high mobility group protein [Mus musculus]" . . . . . 96.55 215 100.00 100.00 9.14e-52 . . . . 11532 1 21 no EMBL CAA68441 . "high mobility group protein [Cricetulus griseus]" . . . . . 56.32 180 100.00 100.00 4.07e-24 . . . . 11532 1 22 no EMBL CAA68526 . "unnamed protein product [Rattus norvegicus]" . . . . . 96.55 215 100.00 100.00 9.14e-52 . . . . 11532 1 23 no GB AAA20508 . "HMG-1 [Mus musculus]" . . . . . 96.55 215 100.00 100.00 9.14e-52 . . . . 11532 1 24 no GB AAA31050 . "non-histone protein HMG1 [Sus scrofa]" . . . . . 96.55 215 100.00 100.00 1.29e-51 . . . . 11532 1 25 no GB AAA40729 . "Amphoterin [Rattus norvegicus]" . . . . . 96.55 215 100.00 100.00 9.14e-52 . . . . 11532 1 26 no GB AAA57042 . "high mobility group 1 protein [Mus musculus]" . . . . . 96.55 215 100.00 100.00 1.02e-51 . . . . 11532 1 27 no GB AAA64970 . "HMG-1 [Homo sapiens]" . . . . . 96.55 216 98.81 98.81 6.67e-51 . . . . 11532 1 28 no PIR S29857 . "nonhistone chromosomal protein HMG-1 - human" . . . . . 96.55 216 98.81 98.81 6.67e-51 . . . . 11532 1 29 no REF NP_001002937 . "high mobility group protein B1 [Canis lupus familiaris]" . . . . . 96.55 215 100.00 100.00 9.14e-52 . . . . 11532 1 30 no REF NP_001004034 . "high mobility group protein B1 [Sus scrofa]" . . . . . 96.55 215 100.00 100.00 1.29e-51 . . . . 11532 1 31 no REF NP_001075304 . "high mobility group protein B1 [Equus caballus]" . . . . . 96.55 215 100.00 100.00 9.14e-52 . . . . 11532 1 32 no REF NP_001102843 . "high mobility group box 1 like [Rattus norvegicus]" . . . . . 96.55 214 100.00 100.00 1.20e-51 . . . . 11532 1 33 no REF NP_001162380 . "high mobility group protein B1 [Papio anubis]" . . . . . 96.55 215 100.00 100.00 9.14e-52 . . . . 11532 1 34 no SP A9RA84 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 96.55 215 100.00 100.00 9.14e-52 . . . . 11532 1 35 no SP B0CM99 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 96.55 215 100.00 100.00 9.14e-52 . . . . 11532 1 36 no SP B1MTB0 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 96.55 215 100.00 100.00 9.14e-52 . . . . 11532 1 37 no SP P07156 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 56.32 180 100.00 100.00 4.07e-24 . . . . 11532 1 38 no SP P09429 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 96.55 215 100.00 100.00 9.14e-52 . . . . 11532 1 39 no TPG DAA21468 . "TPA: high-mobility group box 1-like [Bos taurus]" . . . . . 96.55 215 97.62 97.62 1.61e-50 . . . . 11532 1 40 no TPG DAA23902 . "TPA: high mobility group protein B1 [Bos taurus]" . . . . . 96.55 215 100.00 100.00 9.14e-52 . . . . 11532 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 GLY . 11532 1 2 2 SER . 11532 1 3 3 HIS . 11532 1 4 4 MET . 11532 1 5 5 GLY . 11532 1 6 6 LYS . 11532 1 7 7 GLY . 11532 1 8 8 ASP . 11532 1 9 9 PRO . 11532 1 10 10 LYS . 11532 1 11 11 LYS . 11532 1 12 12 PRO . 11532 1 13 13 ARG . 11532 1 14 14 GLY . 11532 1 15 15 LYS . 11532 1 16 16 MET . 11532 1 17 17 SER . 11532 1 18 18 SER . 11532 1 19 19 TYR . 11532 1 20 20 ALA . 11532 1 21 21 PHE . 11532 1 22 22 PHE . 11532 1 23 23 VAL . 11532 1 24 24 GLN . 11532 1 25 25 THR . 11532 1 26 26 CYS . 11532 1 27 27 ARG . 11532 1 28 28 GLU . 11532 1 29 29 GLU . 11532 1 30 30 HIS . 11532 1 31 31 LYS . 11532 1 32 32 LYS . 11532 1 33 33 LYS . 11532 1 34 34 HIS . 11532 1 35 35 PRO . 11532 1 36 36 ASP . 11532 1 37 37 ALA . 11532 1 38 38 SER . 11532 1 39 39 VAL . 11532 1 40 40 ASN . 11532 1 41 41 PHE . 11532 1 42 42 SER . 11532 1 43 43 GLU . 11532 1 44 44 PHE . 11532 1 45 45 SER . 11532 1 46 46 LYS . 11532 1 47 47 LYS . 11532 1 48 48 CYS . 11532 1 49 49 SER . 11532 1 50 50 GLU . 11532 1 51 51 ARG . 11532 1 52 52 TRP . 11532 1 53 53 LYS . 11532 1 54 54 THR . 11532 1 55 55 MET . 11532 1 56 56 SER . 11532 1 57 57 ALA . 11532 1 58 58 LYS . 11532 1 59 59 GLU . 11532 1 60 60 LYS . 11532 1 61 61 GLY . 11532 1 62 62 LYS . 11532 1 63 63 PHE . 11532 1 64 64 GLU . 11532 1 65 65 ASP . 11532 1 66 66 MET . 11532 1 67 67 ALA . 11532 1 68 68 LYS . 11532 1 69 69 ALA . 11532 1 70 70 ASP . 11532 1 71 71 LYS . 11532 1 72 72 ALA . 11532 1 73 73 ARG . 11532 1 74 74 TYR . 11532 1 75 75 GLU . 11532 1 76 76 ARG . 11532 1 77 77 GLU . 11532 1 78 78 MET . 11532 1 79 79 LYS . 11532 1 80 80 THR . 11532 1 81 81 TYR . 11532 1 82 82 ILE . 11532 1 83 83 PRO . 11532 1 84 84 PRO . 11532 1 85 85 LYS . 11532 1 86 86 GLY . 11532 1 87 87 GLU . 11532 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11532 1 . SER 2 2 11532 1 . HIS 3 3 11532 1 . MET 4 4 11532 1 . GLY 5 5 11532 1 . LYS 6 6 11532 1 . GLY 7 7 11532 1 . ASP 8 8 11532 1 . PRO 9 9 11532 1 . LYS 10 10 11532 1 . LYS 11 11 11532 1 . PRO 12 12 11532 1 . ARG 13 13 11532 1 . GLY 14 14 11532 1 . LYS 15 15 11532 1 . MET 16 16 11532 1 . SER 17 17 11532 1 . SER 18 18 11532 1 . TYR 19 19 11532 1 . ALA 20 20 11532 1 . PHE 21 21 11532 1 . PHE 22 22 11532 1 . VAL 23 23 11532 1 . GLN 24 24 11532 1 . THR 25 25 11532 1 . CYS 26 26 11532 1 . ARG 27 27 11532 1 . GLU 28 28 11532 1 . GLU 29 29 11532 1 . HIS 30 30 11532 1 . LYS 31 31 11532 1 . LYS 32 32 11532 1 . LYS 33 33 11532 1 . HIS 34 34 11532 1 . PRO 35 35 11532 1 . ASP 36 36 11532 1 . ALA 37 37 11532 1 . SER 38 38 11532 1 . VAL 39 39 11532 1 . ASN 40 40 11532 1 . PHE 41 41 11532 1 . SER 42 42 11532 1 . GLU 43 43 11532 1 . PHE 44 44 11532 1 . SER 45 45 11532 1 . LYS 46 46 11532 1 . LYS 47 47 11532 1 . CYS 48 48 11532 1 . SER 49 49 11532 1 . GLU 50 50 11532 1 . ARG 51 51 11532 1 . TRP 52 52 11532 1 . LYS 53 53 11532 1 . THR 54 54 11532 1 . MET 55 55 11532 1 . SER 56 56 11532 1 . ALA 57 57 11532 1 . LYS 58 58 11532 1 . GLU 59 59 11532 1 . LYS 60 60 11532 1 . GLY 61 61 11532 1 . LYS 62 62 11532 1 . PHE 63 63 11532 1 . GLU 64 64 11532 1 . ASP 65 65 11532 1 . MET 66 66 11532 1 . ALA 67 67 11532 1 . LYS 68 68 11532 1 . ALA 69 69 11532 1 . ASP 70 70 11532 1 . LYS 71 71 11532 1 . ALA 72 72 11532 1 . ARG 73 73 11532 1 . TYR 74 74 11532 1 . GLU 75 75 11532 1 . ARG 76 76 11532 1 . GLU 77 77 11532 1 . MET 78 78 11532 1 . LYS 79 79 11532 1 . THR 80 80 11532 1 . TYR 81 81 11532 1 . ILE 82 82 11532 1 . PRO 83 83 11532 1 . PRO 84 84 11532 1 . LYS 85 85 11532 1 . GLY 86 86 11532 1 . GLU 87 87 11532 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 11532 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11532 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 11532 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pET28a . . . . . . 11532 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11532 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N]' . . 1 $entity . protein . 0.5 0.6 mM . . . . 11532 1 2 'potassium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 11532 1 3 'potassium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 11532 1 4 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11532 1 5 H2O . . . . . . solvent 90 . . % . . . . 11532 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11532 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-13C; U-15N]' . . 1 $entity . protein . 0.5 0.6 mM . . . . 11532 2 2 C12E5/n-hexanol 'natural abundance' . . . . . . 6 . . % . . . . 11532 2 3 'potassium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 11532 2 4 'potassium phosphate' 'natural abundance' . . . . . buffer 50 . . mM . . . . 11532 2 5 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11532 2 6 H2O . . . . . . solvent 90 . . % . . . . 11532 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11532 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 11532 1 pH 6.4 . pH 11532 1 pressure 1 . atm 11532 1 temperature 293 . K 11532 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11532 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11532 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11532 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11532 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11532 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11532 2 stop_ save_ save_MAGRO _Software.Sf_category software _Software.Sf_framecode MAGRO _Software.Entry_ID 11532 _Software.ID 3 _Software.Name MAGRO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi N.' . . 11532 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11532 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11532 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11532 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11532 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11532 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11532 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11532 5 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11532 _Software.ID 6 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11532 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11532 6 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 11532 _Software.ID 7 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 11532 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11532 7 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11532 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11532 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 11532 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11532 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11532 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11532 1 3 '2D 1H-15N IPAP-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11532 1 4 '2D 1H-15N IPAP-HSQC' no . . . . . . . . . . 2 $sample_2 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11532 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11532 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.844 internal indirect 0.251449530 . . . . . . . . . 11532 1 H 1 water protons . . . . ppm 4.844 internal direct 1.0 . . . . . . . . . 11532 1 N 15 water protons . . . . ppm 4.844 internal indirect 0.101329118 . . . . . . . . . 11532 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11532 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11532 1 2 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11532 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS HA H 1 4.720 0.030 . 1 . . . A 3 HIS HA . 11532 1 2 . 1 1 3 3 HIS HB2 H 1 3.162 0.030 . 2 . . . A 3 HIS HB2 . 11532 1 3 . 1 1 3 3 HIS HB3 H 1 3.266 0.030 . 2 . . . A 3 HIS HB3 . 11532 1 4 . 1 1 3 3 HIS HD2 H 1 7.195 0.030 . 1 . . . A 3 HIS HD2 . 11532 1 5 . 1 1 3 3 HIS HE1 H 1 8.291 0.030 . 1 . . . A 3 HIS HE1 . 11532 1 6 . 1 1 3 3 HIS C C 13 174.977 0.300 . 1 . . . A 3 HIS C . 11532 1 7 . 1 1 3 3 HIS CA C 13 55.994 0.300 . 1 . . . A 3 HIS CA . 11532 1 8 . 1 1 3 3 HIS CB C 13 29.658 0.300 . 1 . . . A 3 HIS CB . 11532 1 9 . 1 1 3 3 HIS CD2 C 13 120.163 0.300 . 1 . . . A 3 HIS CD2 . 11532 1 10 . 1 1 3 3 HIS CE1 C 13 137.323 0.300 . 1 . . . A 3 HIS CE1 . 11532 1 11 . 1 1 4 4 MET H H 1 8.525 0.030 . 1 . . . A 4 MET H . 11532 1 12 . 1 1 4 4 MET HA H 1 4.488 0.030 . 1 . . . A 4 MET HA . 11532 1 13 . 1 1 4 4 MET HB2 H 1 2.051 0.030 . 1 . . . A 4 MET HB2 . 11532 1 14 . 1 1 4 4 MET HB3 H 1 2.051 0.030 . 1 . . . A 4 MET HB3 . 11532 1 15 . 1 1 4 4 MET HE1 H 1 2.110 0.030 . 1 . . . A 4 MET HE1 . 11532 1 16 . 1 1 4 4 MET HE2 H 1 2.110 0.030 . 1 . . . A 4 MET HE2 . 11532 1 17 . 1 1 4 4 MET HE3 H 1 2.110 0.030 . 1 . . . A 4 MET HE3 . 11532 1 18 . 1 1 4 4 MET C C 13 176.681 0.300 . 1 . . . A 4 MET C . 11532 1 19 . 1 1 4 4 MET CA C 13 55.535 0.300 . 1 . . . A 4 MET CA . 11532 1 20 . 1 1 4 4 MET CB C 13 32.559 0.300 . 1 . . . A 4 MET CB . 11532 1 21 . 1 1 4 4 MET CG C 13 31.853 0.300 . 1 . . . A 4 MET CG . 11532 1 22 . 1 1 4 4 MET CE C 13 16.926 0.300 . 1 . . . A 4 MET CE . 11532 1 23 . 1 1 4 4 MET N N 15 121.965 0.300 . 1 . . . A 4 MET N . 11532 1 24 . 1 1 5 5 GLY H H 1 8.549 0.030 . 1 . . . A 5 GLY H . 11532 1 25 . 1 1 5 5 GLY HA2 H 1 4.003 0.030 . 1 . . . A 5 GLY HA2 . 11532 1 26 . 1 1 5 5 GLY HA3 H 1 4.003 0.030 . 1 . . . A 5 GLY HA3 . 11532 1 27 . 1 1 5 5 GLY C C 13 174.169 0.300 . 1 . . . A 5 GLY C . 11532 1 28 . 1 1 5 5 GLY CA C 13 45.339 0.300 . 1 . . . A 5 GLY CA . 11532 1 29 . 1 1 5 5 GLY N N 15 110.637 0.300 . 1 . . . A 5 GLY N . 11532 1 30 . 1 1 6 6 LYS H H 1 8.335 0.030 . 1 . . . A 6 LYS H . 11532 1 31 . 1 1 6 6 LYS HA H 1 4.358 0.030 . 1 . . . A 6 LYS HA . 11532 1 32 . 1 1 6 6 LYS HB3 H 1 1.844 0.030 . 2 . . . A 6 LYS HB3 . 11532 1 33 . 1 1 6 6 LYS C C 13 177.196 0.300 . 1 . . . A 6 LYS C . 11532 1 34 . 1 1 6 6 LYS CA C 13 56.428 0.300 . 1 . . . A 6 LYS CA . 11532 1 35 . 1 1 6 6 LYS CB C 13 33.171 0.300 . 1 . . . A 6 LYS CB . 11532 1 36 . 1 1 6 6 LYS CG C 13 24.945 0.300 . 1 . . . A 6 LYS CG . 11532 1 37 . 1 1 6 6 LYS CD C 13 29.315 0.300 . 1 . . . A 6 LYS CD . 11532 1 38 . 1 1 6 6 LYS CE C 13 42.168 0.300 . 1 . . . A 6 LYS CE . 11532 1 39 . 1 1 6 6 LYS N N 15 121.033 0.300 . 1 . . . A 6 LYS N . 11532 1 40 . 1 1 7 7 GLY H H 1 8.497 0.030 . 1 . . . A 7 GLY H . 11532 1 41 . 1 1 7 7 GLY HA2 H 1 3.951 0.030 . 1 . . . A 7 GLY HA2 . 11532 1 42 . 1 1 7 7 GLY HA3 H 1 3.951 0.030 . 1 . . . A 7 GLY HA3 . 11532 1 43 . 1 1 7 7 GLY C C 13 173.408 0.300 . 1 . . . A 7 GLY C . 11532 1 44 . 1 1 7 7 GLY CA C 13 44.905 0.300 . 1 . . . A 7 GLY CA . 11532 1 45 . 1 1 7 7 GLY N N 15 110.177 0.300 . 1 . . . A 7 GLY N . 11532 1 46 . 1 1 8 8 ASP H H 1 8.367 0.030 . 1 . . . A 8 ASP H . 11532 1 47 . 1 1 8 8 ASP HA H 1 4.912 0.030 . 1 . . . A 8 ASP HA . 11532 1 48 . 1 1 8 8 ASP HB2 H 1 2.615 0.030 . 2 . . . A 8 ASP HB2 . 11532 1 49 . 1 1 8 8 ASP HB3 H 1 2.817 0.030 . 2 . . . A 8 ASP HB3 . 11532 1 50 . 1 1 8 8 ASP C C 13 175.299 0.300 . 1 . . . A 8 ASP C . 11532 1 51 . 1 1 8 8 ASP CA C 13 52.044 0.300 . 1 . . . A 8 ASP CA . 11532 1 52 . 1 1 8 8 ASP CB C 13 41.401 0.300 . 1 . . . A 8 ASP CB . 11532 1 53 . 1 1 8 8 ASP N N 15 121.667 0.300 . 1 . . . A 8 ASP N . 11532 1 54 . 1 1 9 9 PRO HA H 1 4.470 0.030 . 1 . . . A 9 PRO HA . 11532 1 55 . 1 1 9 9 PRO HB2 H 1 2.333 0.030 . 2 . . . A 9 PRO HB2 . 11532 1 56 . 1 1 9 9 PRO HB3 H 1 2.015 0.030 . 2 . . . A 9 PRO HB3 . 11532 1 57 . 1 1 9 9 PRO HG2 H 1 2.070 0.030 . 1 . . . A 9 PRO HG2 . 11532 1 58 . 1 1 9 9 PRO HG3 H 1 2.070 0.030 . 1 . . . A 9 PRO HG3 . 11532 1 59 . 1 1 9 9 PRO HD2 H 1 3.915 0.030 . 2 . . . A 9 PRO HD2 . 11532 1 60 . 1 1 9 9 PRO HD3 H 1 3.942 0.030 . 2 . . . A 9 PRO HD3 . 11532 1 61 . 1 1 9 9 PRO C C 13 177.191 0.300 . 1 . . . A 9 PRO C . 11532 1 62 . 1 1 9 9 PRO CA C 13 63.638 0.300 . 1 . . . A 9 PRO CA . 11532 1 63 . 1 1 9 9 PRO CB C 13 32.377 0.300 . 1 . . . A 9 PRO CB . 11532 1 64 . 1 1 9 9 PRO CG C 13 27.402 0.300 . 1 . . . A 9 PRO CG . 11532 1 65 . 1 1 9 9 PRO CD C 13 50.963 0.300 . 1 . . . A 9 PRO CD . 11532 1 66 . 1 1 10 10 LYS H H 1 8.354 0.030 . 1 . . . A 10 LYS H . 11532 1 67 . 1 1 10 10 LYS HA H 1 4.290 0.030 . 1 . . . A 10 LYS HA . 11532 1 68 . 1 1 10 10 LYS HB2 H 1 1.899 0.030 . 1 . . . A 10 LYS HB2 . 11532 1 69 . 1 1 10 10 LYS HB3 H 1 1.899 0.030 . 1 . . . A 10 LYS HB3 . 11532 1 70 . 1 1 10 10 LYS HG2 H 1 1.436 0.030 . 2 . . . A 10 LYS HG2 . 11532 1 71 . 1 1 10 10 LYS HG3 H 1 1.495 0.030 . 2 . . . A 10 LYS HG3 . 11532 1 72 . 1 1 10 10 LYS HD2 H 1 1.710 0.030 . 1 . . . A 10 LYS HD2 . 11532 1 73 . 1 1 10 10 LYS HD3 H 1 1.710 0.030 . 1 . . . A 10 LYS HD3 . 11532 1 74 . 1 1 10 10 LYS HE2 H 1 3.013 0.030 . 1 . . . A 10 LYS HE2 . 11532 1 75 . 1 1 10 10 LYS HE3 H 1 3.013 0.030 . 1 . . . A 10 LYS HE3 . 11532 1 76 . 1 1 10 10 LYS C C 13 175.997 0.300 . 1 . . . A 10 LYS C . 11532 1 77 . 1 1 10 10 LYS CA C 13 55.860 0.300 . 1 . . . A 10 LYS CA . 11532 1 78 . 1 1 10 10 LYS CB C 13 32.553 0.300 . 1 . . . A 10 LYS CB . 11532 1 79 . 1 1 10 10 LYS CG C 13 25.115 0.300 . 1 . . . A 10 LYS CG . 11532 1 80 . 1 1 10 10 LYS CD C 13 29.058 0.300 . 1 . . . A 10 LYS CD . 11532 1 81 . 1 1 10 10 LYS CE C 13 42.168 0.300 . 1 . . . A 10 LYS CE . 11532 1 82 . 1 1 10 10 LYS N N 15 119.850 0.300 . 1 . . . A 10 LYS N . 11532 1 83 . 1 1 11 11 LYS H H 1 7.859 0.030 . 1 . . . A 11 LYS H . 11532 1 84 . 1 1 11 11 LYS HA H 1 3.812 0.030 . 1 . . . A 11 LYS HA . 11532 1 85 . 1 1 11 11 LYS HB2 H 1 1.609 0.030 . 2 . . . A 11 LYS HB2 . 11532 1 86 . 1 1 11 11 LYS HB3 H 1 1.680 0.030 . 2 . . . A 11 LYS HB3 . 11532 1 87 . 1 1 11 11 LYS HG2 H 1 1.047 0.030 . 2 . . . A 11 LYS HG2 . 11532 1 88 . 1 1 11 11 LYS HG3 H 1 1.354 0.030 . 2 . . . A 11 LYS HG3 . 11532 1 89 . 1 1 11 11 LYS HD2 H 1 1.677 0.030 . 1 . . . A 11 LYS HD2 . 11532 1 90 . 1 1 11 11 LYS HD3 H 1 1.677 0.030 . 1 . . . A 11 LYS HD3 . 11532 1 91 . 1 1 11 11 LYS HE3 H 1 3.015 0.030 . 2 . . . A 11 LYS HE3 . 11532 1 92 . 1 1 11 11 LYS C C 13 174.407 0.300 . 1 . . . A 11 LYS C . 11532 1 93 . 1 1 11 11 LYS CA C 13 54.651 0.300 . 1 . . . A 11 LYS CA . 11532 1 94 . 1 1 11 11 LYS CB C 13 33.016 0.300 . 1 . . . A 11 LYS CB . 11532 1 95 . 1 1 11 11 LYS CG C 13 24.292 0.300 . 1 . . . A 11 LYS CG . 11532 1 96 . 1 1 11 11 LYS CD C 13 29.276 0.300 . 1 . . . A 11 LYS CD . 11532 1 97 . 1 1 11 11 LYS CE C 13 42.194 0.300 . 1 . . . A 11 LYS CE . 11532 1 98 . 1 1 11 11 LYS N N 15 123.718 0.300 . 1 . . . A 11 LYS N . 11532 1 99 . 1 1 12 12 PRO HA H 1 4.234 0.030 . 1 . . . A 12 PRO HA . 11532 1 100 . 1 1 12 12 PRO HB2 H 1 2.418 0.030 . 2 . . . A 12 PRO HB2 . 11532 1 101 . 1 1 12 12 PRO HB3 H 1 1.515 0.030 . 2 . . . A 12 PRO HB3 . 11532 1 102 . 1 1 12 12 PRO HG2 H 1 1.539 0.030 . 2 . . . A 12 PRO HG2 . 11532 1 103 . 1 1 12 12 PRO HG3 H 1 1.649 0.030 . 2 . . . A 12 PRO HG3 . 11532 1 104 . 1 1 12 12 PRO HD2 H 1 2.909 0.030 . 2 . . . A 12 PRO HD2 . 11532 1 105 . 1 1 12 12 PRO HD3 H 1 3.321 0.030 . 2 . . . A 12 PRO HD3 . 11532 1 106 . 1 1 12 12 PRO C C 13 176.162 0.300 . 1 . . . A 12 PRO C . 11532 1 107 . 1 1 12 12 PRO CA C 13 62.963 0.300 . 1 . . . A 12 PRO CA . 11532 1 108 . 1 1 12 12 PRO CB C 13 31.722 0.300 . 1 . . . A 12 PRO CB . 11532 1 109 . 1 1 12 12 PRO CG C 13 28.057 0.300 . 1 . . . A 12 PRO CG . 11532 1 110 . 1 1 12 12 PRO CD C 13 50.856 0.300 . 1 . . . A 12 PRO CD . 11532 1 111 . 1 1 13 13 ARG H H 1 8.977 0.030 . 1 . . . A 13 ARG H . 11532 1 112 . 1 1 13 13 ARG HA H 1 4.170 0.030 . 1 . . . A 13 ARG HA . 11532 1 113 . 1 1 13 13 ARG HB2 H 1 1.819 0.030 . 1 . . . A 13 ARG HB2 . 11532 1 114 . 1 1 13 13 ARG HB3 H 1 1.819 0.030 . 1 . . . A 13 ARG HB3 . 11532 1 115 . 1 1 13 13 ARG HG2 H 1 1.929 0.030 . 2 . . . A 13 ARG HG2 . 11532 1 116 . 1 1 13 13 ARG HG3 H 1 1.717 0.030 . 2 . . . A 13 ARG HG3 . 11532 1 117 . 1 1 13 13 ARG HD2 H 1 3.218 0.030 . 2 . . . A 13 ARG HD2 . 11532 1 118 . 1 1 13 13 ARG HD3 H 1 3.281 0.030 . 2 . . . A 13 ARG HD3 . 11532 1 119 . 1 1 13 13 ARG HE H 1 7.307 0.030 . 1 . . . A 13 ARG HE . 11532 1 120 . 1 1 13 13 ARG C C 13 177.878 0.300 . 1 . . . A 13 ARG C . 11532 1 121 . 1 1 13 13 ARG CA C 13 56.631 0.300 . 1 . . . A 13 ARG CA . 11532 1 122 . 1 1 13 13 ARG CB C 13 30.335 0.300 . 1 . . . A 13 ARG CB . 11532 1 123 . 1 1 13 13 ARG CG C 13 26.976 0.300 . 1 . . . A 13 ARG CG . 11532 1 124 . 1 1 13 13 ARG CD C 13 43.227 0.300 . 1 . . . A 13 ARG CD . 11532 1 125 . 1 1 13 13 ARG N N 15 124.656 0.300 . 1 . . . A 13 ARG N . 11532 1 126 . 1 1 13 13 ARG NE N 15 84.236 0.300 . 1 . . . A 13 ARG NE . 11532 1 127 . 1 1 14 14 GLY H H 1 8.652 0.030 . 1 . . . A 14 GLY H . 11532 1 128 . 1 1 14 14 GLY HA2 H 1 3.700 0.030 . 2 . . . A 14 GLY HA2 . 11532 1 129 . 1 1 14 14 GLY HA3 H 1 3.903 0.030 . 2 . . . A 14 GLY HA3 . 11532 1 130 . 1 1 14 14 GLY C C 13 173.632 0.300 . 1 . . . A 14 GLY C . 11532 1 131 . 1 1 14 14 GLY CA C 13 45.332 0.300 . 1 . . . A 14 GLY CA . 11532 1 132 . 1 1 14 14 GLY N N 15 111.003 0.300 . 1 . . . A 14 GLY N . 11532 1 133 . 1 1 15 15 LYS H H 1 7.682 0.030 . 1 . . . A 15 LYS H . 11532 1 134 . 1 1 15 15 LYS HA H 1 4.062 0.030 . 1 . . . A 15 LYS HA . 11532 1 135 . 1 1 15 15 LYS HB2 H 1 1.556 0.030 . 1 . . . A 15 LYS HB2 . 11532 1 136 . 1 1 15 15 LYS HB3 H 1 1.556 0.030 . 1 . . . A 15 LYS HB3 . 11532 1 137 . 1 1 15 15 LYS HG2 H 1 1.201 0.030 . 2 . . . A 15 LYS HG2 . 11532 1 138 . 1 1 15 15 LYS HG3 H 1 0.857 0.030 . 2 . . . A 15 LYS HG3 . 11532 1 139 . 1 1 15 15 LYS HD2 H 1 1.599 0.030 . 2 . . . A 15 LYS HD2 . 11532 1 140 . 1 1 15 15 LYS HD3 H 1 1.508 0.030 . 2 . . . A 15 LYS HD3 . 11532 1 141 . 1 1 15 15 LYS HE2 H 1 2.824 0.030 . 2 . . . A 15 LYS HE2 . 11532 1 142 . 1 1 15 15 LYS HE3 H 1 2.581 0.030 . 2 . . . A 15 LYS HE3 . 11532 1 143 . 1 1 15 15 LYS C C 13 177.038 0.300 . 1 . . . A 15 LYS C . 11532 1 144 . 1 1 15 15 LYS CA C 13 56.605 0.300 . 1 . . . A 15 LYS CA . 11532 1 145 . 1 1 15 15 LYS CB C 13 32.077 0.300 . 1 . . . A 15 LYS CB . 11532 1 146 . 1 1 15 15 LYS CG C 13 24.340 0.300 . 1 . . . A 15 LYS CG . 11532 1 147 . 1 1 15 15 LYS CD C 13 29.154 0.300 . 1 . . . A 15 LYS CD . 11532 1 148 . 1 1 15 15 LYS CE C 13 41.568 0.300 . 1 . . . A 15 LYS CE . 11532 1 149 . 1 1 15 15 LYS N N 15 120.368 0.300 . 1 . . . A 15 LYS N . 11532 1 150 . 1 1 16 16 MET H H 1 9.091 0.030 . 1 . . . A 16 MET H . 11532 1 151 . 1 1 16 16 MET HA H 1 4.407 0.030 . 1 . . . A 16 MET HA . 11532 1 152 . 1 1 16 16 MET HB2 H 1 1.414 0.030 . 2 . . . A 16 MET HB2 . 11532 1 153 . 1 1 16 16 MET HB3 H 1 1.583 0.030 . 2 . . . A 16 MET HB3 . 11532 1 154 . 1 1 16 16 MET HG2 H 1 2.111 0.030 . 2 . . . A 16 MET HG2 . 11532 1 155 . 1 1 16 16 MET HG3 H 1 2.204 0.030 . 2 . . . A 16 MET HG3 . 11532 1 156 . 1 1 16 16 MET HE1 H 1 1.288 0.030 . 1 . . . A 16 MET HE1 . 11532 1 157 . 1 1 16 16 MET HE2 H 1 1.288 0.030 . 1 . . . A 16 MET HE2 . 11532 1 158 . 1 1 16 16 MET HE3 H 1 1.288 0.030 . 1 . . . A 16 MET HE3 . 11532 1 159 . 1 1 16 16 MET C C 13 175.547 0.300 . 1 . . . A 16 MET C . 11532 1 160 . 1 1 16 16 MET CA C 13 54.950 0.300 . 1 . . . A 16 MET CA . 11532 1 161 . 1 1 16 16 MET CB C 13 35.030 0.300 . 1 . . . A 16 MET CB . 11532 1 162 . 1 1 16 16 MET CG C 13 32.008 0.300 . 1 . . . A 16 MET CG . 11532 1 163 . 1 1 16 16 MET CE C 13 15.565 0.300 . 1 . . . A 16 MET CE . 11532 1 164 . 1 1 16 16 MET N N 15 125.085 0.300 . 1 . . . A 16 MET N . 11532 1 165 . 1 1 17 17 SER H H 1 8.196 0.030 . 1 . . . A 17 SER H . 11532 1 166 . 1 1 17 17 SER HA H 1 4.638 0.030 . 1 . . . A 17 SER HA . 11532 1 167 . 1 1 17 17 SER HB2 H 1 4.543 0.030 . 2 . . . A 17 SER HB2 . 11532 1 168 . 1 1 17 17 SER HB3 H 1 4.106 0.030 . 2 . . . A 17 SER HB3 . 11532 1 169 . 1 1 17 17 SER C C 13 174.571 0.300 . 1 . . . A 17 SER C . 11532 1 170 . 1 1 17 17 SER CA C 13 57.206 0.300 . 1 . . . A 17 SER CA . 11532 1 171 . 1 1 17 17 SER CB C 13 65.687 0.300 . 1 . . . A 17 SER CB . 11532 1 172 . 1 1 17 17 SER N N 15 119.373 0.300 . 1 . . . A 17 SER N . 11532 1 173 . 1 1 18 18 SER H H 1 9.344 0.030 . 1 . . . A 18 SER H . 11532 1 174 . 1 1 18 18 SER HA H 1 4.379 0.030 . 1 . . . A 18 SER HA . 11532 1 175 . 1 1 18 18 SER HB2 H 1 4.119 0.030 . 2 . . . A 18 SER HB2 . 11532 1 176 . 1 1 18 18 SER HB3 H 1 4.166 0.030 . 2 . . . A 18 SER HB3 . 11532 1 177 . 1 1 18 18 SER C C 13 176.245 0.300 . 1 . . . A 18 SER C . 11532 1 178 . 1 1 18 18 SER CA C 13 61.486 0.300 . 1 . . . A 18 SER CA . 11532 1 179 . 1 1 18 18 SER CB C 13 62.334 0.300 . 1 . . . A 18 SER CB . 11532 1 180 . 1 1 18 18 SER N N 15 116.538 0.300 . 1 . . . A 18 SER N . 11532 1 181 . 1 1 19 19 TYR H H 1 7.944 0.030 . 1 . . . A 19 TYR H . 11532 1 182 . 1 1 19 19 TYR HA H 1 2.866 0.030 . 1 . . . A 19 TYR HA . 11532 1 183 . 1 1 19 19 TYR HB2 H 1 2.435 0.030 . 2 . . . A 19 TYR HB2 . 11532 1 184 . 1 1 19 19 TYR HB3 H 1 2.591 0.030 . 2 . . . A 19 TYR HB3 . 11532 1 185 . 1 1 19 19 TYR HD1 H 1 5.877 0.030 . 1 . . . A 19 TYR HD1 . 11532 1 186 . 1 1 19 19 TYR HD2 H 1 5.877 0.030 . 1 . . . A 19 TYR HD2 . 11532 1 187 . 1 1 19 19 TYR HE1 H 1 6.456 0.030 . 1 . . . A 19 TYR HE1 . 11532 1 188 . 1 1 19 19 TYR HE2 H 1 6.456 0.030 . 1 . . . A 19 TYR HE2 . 11532 1 189 . 1 1 19 19 TYR C C 13 175.835 0.300 . 1 . . . A 19 TYR C . 11532 1 190 . 1 1 19 19 TYR CA C 13 60.294 0.300 . 1 . . . A 19 TYR CA . 11532 1 191 . 1 1 19 19 TYR CB C 13 38.175 0.300 . 1 . . . A 19 TYR CB . 11532 1 192 . 1 1 19 19 TYR CD1 C 13 132.665 0.300 . 1 . . . A 19 TYR CD1 . 11532 1 193 . 1 1 19 19 TYR CD2 C 13 132.665 0.300 . 1 . . . A 19 TYR CD2 . 11532 1 194 . 1 1 19 19 TYR CE1 C 13 117.770 0.300 . 1 . . . A 19 TYR CE1 . 11532 1 195 . 1 1 19 19 TYR CE2 C 13 117.770 0.300 . 1 . . . A 19 TYR CE2 . 11532 1 196 . 1 1 19 19 TYR N N 15 121.859 0.300 . 1 . . . A 19 TYR N . 11532 1 197 . 1 1 20 20 ALA H H 1 7.873 0.030 . 1 . . . A 20 ALA H . 11532 1 198 . 1 1 20 20 ALA HA H 1 3.689 0.030 . 1 . . . A 20 ALA HA . 11532 1 199 . 1 1 20 20 ALA HB1 H 1 1.373 0.030 . 1 . . . A 20 ALA HB1 . 11532 1 200 . 1 1 20 20 ALA HB2 H 1 1.373 0.030 . 1 . . . A 20 ALA HB2 . 11532 1 201 . 1 1 20 20 ALA HB3 H 1 1.373 0.030 . 1 . . . A 20 ALA HB3 . 11532 1 202 . 1 1 20 20 ALA C C 13 181.805 0.300 . 1 . . . A 20 ALA C . 11532 1 203 . 1 1 20 20 ALA CA C 13 55.155 0.300 . 1 . . . A 20 ALA CA . 11532 1 204 . 1 1 20 20 ALA CB C 13 18.121 0.300 . 1 . . . A 20 ALA CB . 11532 1 205 . 1 1 20 20 ALA N N 15 121.893 0.300 . 1 . . . A 20 ALA N . 11532 1 206 . 1 1 21 21 PHE H H 1 8.190 0.030 . 1 . . . A 21 PHE H . 11532 1 207 . 1 1 21 21 PHE HA H 1 4.175 0.030 . 1 . . . A 21 PHE HA . 11532 1 208 . 1 1 21 21 PHE HB2 H 1 3.386 0.030 . 2 . . . A 21 PHE HB2 . 11532 1 209 . 1 1 21 21 PHE HB3 H 1 3.636 0.030 . 2 . . . A 21 PHE HB3 . 11532 1 210 . 1 1 21 21 PHE HD1 H 1 7.362 0.030 . 1 . . . A 21 PHE HD1 . 11532 1 211 . 1 1 21 21 PHE HD2 H 1 7.362 0.030 . 1 . . . A 21 PHE HD2 . 11532 1 212 . 1 1 21 21 PHE HE1 H 1 7.313 0.030 . 1 . . . A 21 PHE HE1 . 11532 1 213 . 1 1 21 21 PHE HE2 H 1 7.313 0.030 . 1 . . . A 21 PHE HE2 . 11532 1 214 . 1 1 21 21 PHE HZ H 1 7.110 0.030 . 1 . . . A 21 PHE HZ . 11532 1 215 . 1 1 21 21 PHE C C 13 179.013 0.300 . 1 . . . A 21 PHE C . 11532 1 216 . 1 1 21 21 PHE CA C 13 63.372 0.300 . 1 . . . A 21 PHE CA . 11532 1 217 . 1 1 21 21 PHE CB C 13 40.002 0.300 . 1 . . . A 21 PHE CB . 11532 1 218 . 1 1 21 21 PHE CD1 C 13 132.339 0.300 . 1 . . . A 21 PHE CD1 . 11532 1 219 . 1 1 21 21 PHE CD2 C 13 132.339 0.300 . 1 . . . A 21 PHE CD2 . 11532 1 220 . 1 1 21 21 PHE CE1 C 13 131.868 0.300 . 1 . . . A 21 PHE CE1 . 11532 1 221 . 1 1 21 21 PHE CE2 C 13 131.868 0.300 . 1 . . . A 21 PHE CE2 . 11532 1 222 . 1 1 21 21 PHE CZ C 13 129.457 0.300 . 1 . . . A 21 PHE CZ . 11532 1 223 . 1 1 21 21 PHE N N 15 117.407 0.300 . 1 . . . A 21 PHE N . 11532 1 224 . 1 1 22 22 PHE H H 1 8.132 0.030 . 1 . . . A 22 PHE H . 11532 1 225 . 1 1 22 22 PHE HA H 1 3.554 0.030 . 1 . . . A 22 PHE HA . 11532 1 226 . 1 1 22 22 PHE HB2 H 1 2.360 0.030 . 2 . . . A 22 PHE HB2 . 11532 1 227 . 1 1 22 22 PHE HB3 H 1 2.089 0.030 . 2 . . . A 22 PHE HB3 . 11532 1 228 . 1 1 22 22 PHE HD1 H 1 6.431 0.030 . 1 . . . A 22 PHE HD1 . 11532 1 229 . 1 1 22 22 PHE HD2 H 1 6.431 0.030 . 1 . . . A 22 PHE HD2 . 11532 1 230 . 1 1 22 22 PHE HE1 H 1 7.493 0.030 . 1 . . . A 22 PHE HE1 . 11532 1 231 . 1 1 22 22 PHE HE2 H 1 7.493 0.030 . 1 . . . A 22 PHE HE2 . 11532 1 232 . 1 1 22 22 PHE HZ H 1 7.309 0.030 . 1 . . . A 22 PHE HZ . 11532 1 233 . 1 1 22 22 PHE C C 13 177.200 0.300 . 1 . . . A 22 PHE C . 11532 1 234 . 1 1 22 22 PHE CA C 13 61.420 0.300 . 1 . . . A 22 PHE CA . 11532 1 235 . 1 1 22 22 PHE CB C 13 38.645 0.300 . 1 . . . A 22 PHE CB . 11532 1 236 . 1 1 22 22 PHE CD1 C 13 132.344 0.300 . 1 . . . A 22 PHE CD1 . 11532 1 237 . 1 1 22 22 PHE CD2 C 13 132.344 0.300 . 1 . . . A 22 PHE CD2 . 11532 1 238 . 1 1 22 22 PHE CE1 C 13 131.318 0.300 . 1 . . . A 22 PHE CE1 . 11532 1 239 . 1 1 22 22 PHE CE2 C 13 131.318 0.300 . 1 . . . A 22 PHE CE2 . 11532 1 240 . 1 1 22 22 PHE CZ C 13 129.622 0.300 . 1 . . . A 22 PHE CZ . 11532 1 241 . 1 1 22 22 PHE N N 15 123.212 0.300 . 1 . . . A 22 PHE N . 11532 1 242 . 1 1 23 23 VAL H H 1 8.758 0.030 . 1 . . . A 23 VAL H . 11532 1 243 . 1 1 23 23 VAL HA H 1 2.851 0.030 . 1 . . . A 23 VAL HA . 11532 1 244 . 1 1 23 23 VAL HB H 1 1.585 0.030 . 1 . . . A 23 VAL HB . 11532 1 245 . 1 1 23 23 VAL HG11 H 1 0.700 0.030 . 2 . . . A 23 VAL HG11 . 11532 1 246 . 1 1 23 23 VAL HG12 H 1 0.700 0.030 . 2 . . . A 23 VAL HG12 . 11532 1 247 . 1 1 23 23 VAL HG13 H 1 0.700 0.030 . 2 . . . A 23 VAL HG13 . 11532 1 248 . 1 1 23 23 VAL HG21 H 1 0.367 0.030 . 2 . . . A 23 VAL HG21 . 11532 1 249 . 1 1 23 23 VAL HG22 H 1 0.367 0.030 . 2 . . . A 23 VAL HG22 . 11532 1 250 . 1 1 23 23 VAL HG23 H 1 0.367 0.030 . 2 . . . A 23 VAL HG23 . 11532 1 251 . 1 1 23 23 VAL C C 13 177.393 0.300 . 1 . . . A 23 VAL C . 11532 1 252 . 1 1 23 23 VAL CA C 13 67.040 0.300 . 1 . . . A 23 VAL CA . 11532 1 253 . 1 1 23 23 VAL CB C 13 30.955 0.300 . 1 . . . A 23 VAL CB . 11532 1 254 . 1 1 23 23 VAL CG1 C 13 21.344 0.300 . 2 . . . A 23 VAL CG1 . 11532 1 255 . 1 1 23 23 VAL CG2 C 13 23.187 0.300 . 2 . . . A 23 VAL CG2 . 11532 1 256 . 1 1 23 23 VAL N N 15 121.720 0.300 . 1 . . . A 23 VAL N . 11532 1 257 . 1 1 24 24 GLN H H 1 7.320 0.030 . 1 . . . A 24 GLN H . 11532 1 258 . 1 1 24 24 GLN HA H 1 3.923 0.030 . 1 . . . A 24 GLN HA . 11532 1 259 . 1 1 24 24 GLN HB2 H 1 2.173 0.030 . 1 . . . A 24 GLN HB2 . 11532 1 260 . 1 1 24 24 GLN HB3 H 1 2.173 0.030 . 1 . . . A 24 GLN HB3 . 11532 1 261 . 1 1 24 24 GLN HG2 H 1 2.350 0.030 . 2 . . . A 24 GLN HG2 . 11532 1 262 . 1 1 24 24 GLN HG3 H 1 2.409 0.030 . 2 . . . A 24 GLN HG3 . 11532 1 263 . 1 1 24 24 GLN HE21 H 1 6.821 0.030 . 2 . . . A 24 GLN HE21 . 11532 1 264 . 1 1 24 24 GLN HE22 H 1 7.661 0.030 . 2 . . . A 24 GLN HE22 . 11532 1 265 . 1 1 24 24 GLN C C 13 178.500 0.300 . 1 . . . A 24 GLN C . 11532 1 266 . 1 1 24 24 GLN CA C 13 59.409 0.300 . 1 . . . A 24 GLN CA . 11532 1 267 . 1 1 24 24 GLN CB C 13 28.493 0.300 . 1 . . . A 24 GLN CB . 11532 1 268 . 1 1 24 24 GLN CG C 13 33.723 0.300 . 1 . . . A 24 GLN CG . 11532 1 269 . 1 1 24 24 GLN N N 15 117.919 0.300 . 1 . . . A 24 GLN N . 11532 1 270 . 1 1 24 24 GLN NE2 N 15 111.687 0.300 . 1 . . . A 24 GLN NE2 . 11532 1 271 . 1 1 25 25 THR H H 1 7.532 0.030 . 1 . . . A 25 THR H . 11532 1 272 . 1 1 25 25 THR HA H 1 4.123 0.030 . 1 . . . A 25 THR HA . 11532 1 273 . 1 1 25 25 THR HB H 1 4.277 0.030 . 1 . . . A 25 THR HB . 11532 1 274 . 1 1 25 25 THR HG21 H 1 1.471 0.030 . 1 . . . A 25 THR HG21 . 11532 1 275 . 1 1 25 25 THR HG22 H 1 1.471 0.030 . 1 . . . A 25 THR HG22 . 11532 1 276 . 1 1 25 25 THR HG23 H 1 1.471 0.030 . 1 . . . A 25 THR HG23 . 11532 1 277 . 1 1 25 25 THR C C 13 175.708 0.300 . 1 . . . A 25 THR C . 11532 1 278 . 1 1 25 25 THR CA C 13 66.349 0.300 . 1 . . . A 25 THR CA . 11532 1 279 . 1 1 25 25 THR CB C 13 69.088 0.300 . 1 . . . A 25 THR CB . 11532 1 280 . 1 1 25 25 THR CG2 C 13 21.761 0.300 . 1 . . . A 25 THR CG2 . 11532 1 281 . 1 1 25 25 THR N N 15 115.625 0.300 . 1 . . . A 25 THR N . 11532 1 282 . 1 1 26 26 CYS H H 1 8.482 0.030 . 1 . . . A 26 CYS H . 11532 1 283 . 1 1 26 26 CYS HA H 1 3.991 0.030 . 1 . . . A 26 CYS HA . 11532 1 284 . 1 1 26 26 CYS HB2 H 1 2.707 0.030 . 2 . . . A 26 CYS HB2 . 11532 1 285 . 1 1 26 26 CYS HB3 H 1 2.754 0.030 . 2 . . . A 26 CYS HB3 . 11532 1 286 . 1 1 26 26 CYS C C 13 177.319 0.300 . 1 . . . A 26 CYS C . 11532 1 287 . 1 1 26 26 CYS CA C 13 59.131 0.300 . 1 . . . A 26 CYS CA . 11532 1 288 . 1 1 26 26 CYS CB C 13 44.206 0.300 . 1 . . . A 26 CYS CB . 11532 1 289 . 1 1 26 26 CYS N N 15 123.281 0.300 . 1 . . . A 26 CYS N . 11532 1 290 . 1 1 27 27 ARG H H 1 8.677 0.030 . 1 . . . A 27 ARG H . 11532 1 291 . 1 1 27 27 ARG HA H 1 3.854 0.030 . 1 . . . A 27 ARG HA . 11532 1 292 . 1 1 27 27 ARG HB2 H 1 1.823 0.030 . 1 . . . A 27 ARG HB2 . 11532 1 293 . 1 1 27 27 ARG HB3 H 1 1.823 0.030 . 1 . . . A 27 ARG HB3 . 11532 1 294 . 1 1 27 27 ARG HG2 H 1 1.581 0.030 . 2 . . . A 27 ARG HG2 . 11532 1 295 . 1 1 27 27 ARG HG3 H 1 1.371 0.030 . 2 . . . A 27 ARG HG3 . 11532 1 296 . 1 1 27 27 ARG HD2 H 1 2.981 0.030 . 1 . . . A 27 ARG HD2 . 11532 1 297 . 1 1 27 27 ARG HD3 H 1 2.981 0.030 . 1 . . . A 27 ARG HD3 . 11532 1 298 . 1 1 27 27 ARG HE H 1 7.134 0.030 . 1 . . . A 27 ARG HE . 11532 1 299 . 1 1 27 27 ARG C C 13 178.296 0.300 . 1 . . . A 27 ARG C . 11532 1 300 . 1 1 27 27 ARG CA C 13 59.974 0.300 . 1 . . . A 27 ARG CA . 11532 1 301 . 1 1 27 27 ARG CB C 13 30.329 0.300 . 1 . . . A 27 ARG CB . 11532 1 302 . 1 1 27 27 ARG CG C 13 27.856 0.300 . 1 . . . A 27 ARG CG . 11532 1 303 . 1 1 27 27 ARG CD C 13 43.581 0.300 . 1 . . . A 27 ARG CD . 11532 1 304 . 1 1 27 27 ARG N N 15 120.770 0.300 . 1 . . . A 27 ARG N . 11532 1 305 . 1 1 27 27 ARG NE N 15 84.262 0.300 . 1 . . . A 27 ARG NE . 11532 1 306 . 1 1 28 28 GLU H H 1 7.862 0.030 . 1 . . . A 28 GLU H . 11532 1 307 . 1 1 28 28 GLU HA H 1 4.017 0.030 . 1 . . . A 28 GLU HA . 11532 1 308 . 1 1 28 28 GLU HB2 H 1 2.188 0.030 . 2 . . . A 28 GLU HB2 . 11532 1 309 . 1 1 28 28 GLU HB3 H 1 2.133 0.030 . 2 . . . A 28 GLU HB3 . 11532 1 310 . 1 1 28 28 GLU HG2 H 1 2.361 0.030 . 2 . . . A 28 GLU HG2 . 11532 1 311 . 1 1 28 28 GLU HG3 H 1 2.439 0.030 . 2 . . . A 28 GLU HG3 . 11532 1 312 . 1 1 28 28 GLU C C 13 179.183 0.300 . 1 . . . A 28 GLU C . 11532 1 313 . 1 1 28 28 GLU CA C 13 59.134 0.300 . 1 . . . A 28 GLU CA . 11532 1 314 . 1 1 28 28 GLU CB C 13 29.463 0.300 . 1 . . . A 28 GLU CB . 11532 1 315 . 1 1 28 28 GLU CG C 13 36.215 0.300 . 1 . . . A 28 GLU CG . 11532 1 316 . 1 1 28 28 GLU N N 15 119.708 0.300 . 1 . . . A 28 GLU N . 11532 1 317 . 1 1 29 29 GLU H H 1 8.394 0.030 . 1 . . . A 29 GLU H . 11532 1 318 . 1 1 29 29 GLU HA H 1 4.010 0.030 . 1 . . . A 29 GLU HA . 11532 1 319 . 1 1 29 29 GLU HB2 H 1 2.053 0.030 . 2 . . . A 29 GLU HB2 . 11532 1 320 . 1 1 29 29 GLU HB3 H 1 2.169 0.030 . 2 . . . A 29 GLU HB3 . 11532 1 321 . 1 1 29 29 GLU HG2 H 1 2.256 0.030 . 1 . . . A 29 GLU HG2 . 11532 1 322 . 1 1 29 29 GLU HG3 H 1 2.256 0.030 . 1 . . . A 29 GLU HG3 . 11532 1 323 . 1 1 29 29 GLU C C 13 178.988 0.300 . 1 . . . A 29 GLU C . 11532 1 324 . 1 1 29 29 GLU CA C 13 59.178 0.300 . 1 . . . A 29 GLU CA . 11532 1 325 . 1 1 29 29 GLU CB C 13 29.603 0.300 . 1 . . . A 29 GLU CB . 11532 1 326 . 1 1 29 29 GLU CG C 13 36.551 0.300 . 1 . . . A 29 GLU CG . 11532 1 327 . 1 1 29 29 GLU N N 15 119.717 0.300 . 1 . . . A 29 GLU N . 11532 1 328 . 1 1 30 30 HIS H H 1 7.860 0.030 . 1 . . . A 30 HIS H . 11532 1 329 . 1 1 30 30 HIS HA H 1 4.210 0.030 . 1 . . . A 30 HIS HA . 11532 1 330 . 1 1 30 30 HIS HB2 H 1 2.884 0.030 . 2 . . . A 30 HIS HB2 . 11532 1 331 . 1 1 30 30 HIS HB3 H 1 3.020 0.030 . 2 . . . A 30 HIS HB3 . 11532 1 332 . 1 1 30 30 HIS HD2 H 1 6.807 0.030 . 1 . . . A 30 HIS HD2 . 11532 1 333 . 1 1 30 30 HIS HE1 H 1 7.711 0.030 . 1 . . . A 30 HIS HE1 . 11532 1 334 . 1 1 30 30 HIS C C 13 177.238 0.300 . 1 . . . A 30 HIS C . 11532 1 335 . 1 1 30 30 HIS CA C 13 60.157 0.300 . 1 . . . A 30 HIS CA . 11532 1 336 . 1 1 30 30 HIS CB C 13 30.335 0.300 . 1 . . . A 30 HIS CB . 11532 1 337 . 1 1 30 30 HIS CD2 C 13 119.862 0.300 . 1 . . . A 30 HIS CD2 . 11532 1 338 . 1 1 30 30 HIS CE1 C 13 138.055 0.300 . 1 . . . A 30 HIS CE1 . 11532 1 339 . 1 1 30 30 HIS N N 15 118.847 0.300 . 1 . . . A 30 HIS N . 11532 1 340 . 1 1 31 31 LYS H H 1 7.983 0.030 . 1 . . . A 31 LYS H . 11532 1 341 . 1 1 31 31 LYS HA H 1 3.981 0.030 . 1 . . . A 31 LYS HA . 11532 1 342 . 1 1 31 31 LYS HB2 H 1 1.909 0.030 . 2 . . . A 31 LYS HB2 . 11532 1 343 . 1 1 31 31 LYS HB3 H 1 2.049 0.030 . 2 . . . A 31 LYS HB3 . 11532 1 344 . 1 1 31 31 LYS HG3 H 1 1.537 0.030 . 2 . . . A 31 LYS HG3 . 11532 1 345 . 1 1 31 31 LYS HD3 H 1 1.738 0.030 . 2 . . . A 31 LYS HD3 . 11532 1 346 . 1 1 31 31 LYS HE3 H 1 2.974 0.030 . 2 . . . A 31 LYS HE3 . 11532 1 347 . 1 1 31 31 LYS C C 13 178.176 0.300 . 1 . . . A 31 LYS C . 11532 1 348 . 1 1 31 31 LYS CA C 13 58.675 0.300 . 1 . . . A 31 LYS CA . 11532 1 349 . 1 1 31 31 LYS CB C 13 32.574 0.300 . 1 . . . A 31 LYS CB . 11532 1 350 . 1 1 31 31 LYS CG C 13 25.116 0.300 . 1 . . . A 31 LYS CG . 11532 1 351 . 1 1 31 31 LYS CD C 13 29.401 0.300 . 1 . . . A 31 LYS CD . 11532 1 352 . 1 1 31 31 LYS CE C 13 42.083 0.300 . 1 . . . A 31 LYS CE . 11532 1 353 . 1 1 31 31 LYS N N 15 119.030 0.300 . 1 . . . A 31 LYS N . 11532 1 354 . 1 1 32 32 LYS H H 1 7.690 0.030 . 1 . . . A 32 LYS H . 11532 1 355 . 1 1 32 32 LYS HA H 1 4.019 0.030 . 1 . . . A 32 LYS HA . 11532 1 356 . 1 1 32 32 LYS HB2 H 1 1.784 0.030 . 2 . . . A 32 LYS HB2 . 11532 1 357 . 1 1 32 32 LYS HB3 H 1 1.876 0.030 . 2 . . . A 32 LYS HB3 . 11532 1 358 . 1 1 32 32 LYS HG2 H 1 1.437 0.030 . 2 . . . A 32 LYS HG2 . 11532 1 359 . 1 1 32 32 LYS HG3 H 1 1.572 0.030 . 2 . . . A 32 LYS HG3 . 11532 1 360 . 1 1 32 32 LYS HE3 H 1 2.963 0.030 . 2 . . . A 32 LYS HE3 . 11532 1 361 . 1 1 32 32 LYS C C 13 178.143 0.300 . 1 . . . A 32 LYS C . 11532 1 362 . 1 1 32 32 LYS CA C 13 58.443 0.300 . 1 . . . A 32 LYS CA . 11532 1 363 . 1 1 32 32 LYS CB C 13 32.515 0.300 . 1 . . . A 32 LYS CB . 11532 1 364 . 1 1 32 32 LYS CG C 13 25.300 0.300 . 1 . . . A 32 LYS CG . 11532 1 365 . 1 1 32 32 LYS CD C 13 29.229 0.300 . 1 . . . A 32 LYS CD . 11532 1 366 . 1 1 32 32 LYS CE C 13 42.168 0.300 . 1 . . . A 32 LYS CE . 11532 1 367 . 1 1 32 32 LYS N N 15 117.384 0.300 . 1 . . . A 32 LYS N . 11532 1 368 . 1 1 33 33 LYS H H 1 7.501 0.030 . 1 . . . A 33 LYS H . 11532 1 369 . 1 1 33 33 LYS HA H 1 4.047 0.030 . 1 . . . A 33 LYS HA . 11532 1 370 . 1 1 33 33 LYS HB2 H 1 1.463 0.030 . 2 . . . A 33 LYS HB2 . 11532 1 371 . 1 1 33 33 LYS HB3 H 1 1.610 0.030 . 2 . . . A 33 LYS HB3 . 11532 1 372 . 1 1 33 33 LYS HG2 H 1 1.198 0.030 . 2 . . . A 33 LYS HG2 . 11532 1 373 . 1 1 33 33 LYS HG3 H 1 1.390 0.030 . 2 . . . A 33 LYS HG3 . 11532 1 374 . 1 1 33 33 LYS HD2 H 1 1.707 0.030 . 2 . . . A 33 LYS HD2 . 11532 1 375 . 1 1 33 33 LYS HD3 H 1 1.626 0.030 . 2 . . . A 33 LYS HD3 . 11532 1 376 . 1 1 33 33 LYS HE2 H 1 2.963 0.030 . 1 . . . A 33 LYS HE2 . 11532 1 377 . 1 1 33 33 LYS HE3 H 1 2.963 0.030 . 1 . . . A 33 LYS HE3 . 11532 1 378 . 1 1 33 33 LYS C C 13 176.174 0.300 . 1 . . . A 33 LYS C . 11532 1 379 . 1 1 33 33 LYS CA C 13 57.194 0.300 . 1 . . . A 33 LYS CA . 11532 1 380 . 1 1 33 33 LYS CB C 13 33.552 0.300 . 1 . . . A 33 LYS CB . 11532 1 381 . 1 1 33 33 LYS CG C 13 25.359 0.300 . 1 . . . A 33 LYS CG . 11532 1 382 . 1 1 33 33 LYS CD C 13 29.315 0.300 . 1 . . . A 33 LYS CD . 11532 1 383 . 1 1 33 33 LYS CE C 13 42.083 0.300 . 1 . . . A 33 LYS CE . 11532 1 384 . 1 1 33 33 LYS N N 15 116.918 0.300 . 1 . . . A 33 LYS N . 11532 1 385 . 1 1 34 34 HIS H H 1 7.847 0.030 . 1 . . . A 34 HIS H . 11532 1 386 . 1 1 34 34 HIS HA H 1 5.017 0.030 . 1 . . . A 34 HIS HA . 11532 1 387 . 1 1 34 34 HIS HB2 H 1 2.841 0.030 . 2 . . . A 34 HIS HB2 . 11532 1 388 . 1 1 34 34 HIS HB3 H 1 3.019 0.030 . 2 . . . A 34 HIS HB3 . 11532 1 389 . 1 1 34 34 HIS HD2 H 1 6.857 0.030 . 1 . . . A 34 HIS HD2 . 11532 1 390 . 1 1 34 34 HIS HE1 H 1 8.374 0.030 . 1 . . . A 34 HIS HE1 . 11532 1 391 . 1 1 34 34 HIS C C 13 172.373 0.300 . 1 . . . A 34 HIS C . 11532 1 392 . 1 1 34 34 HIS CA C 13 52.803 0.300 . 1 . . . A 34 HIS CA . 11532 1 393 . 1 1 34 34 HIS CB C 13 28.938 0.300 . 1 . . . A 34 HIS CB . 11532 1 394 . 1 1 34 34 HIS CD2 C 13 121.433 0.300 . 1 . . . A 34 HIS CD2 . 11532 1 395 . 1 1 34 34 HIS CE1 C 13 136.888 0.300 . 1 . . . A 34 HIS CE1 . 11532 1 396 . 1 1 34 34 HIS N N 15 116.402 0.300 . 1 . . . A 34 HIS N . 11532 1 397 . 1 1 35 35 PRO HA H 1 4.511 0.030 . 1 . . . A 35 PRO HA . 11532 1 398 . 1 1 35 35 PRO HB2 H 1 2.331 0.030 . 2 . . . A 35 PRO HB2 . 11532 1 399 . 1 1 35 35 PRO HB3 H 1 2.006 0.030 . 2 . . . A 35 PRO HB3 . 11532 1 400 . 1 1 35 35 PRO HG2 H 1 1.964 0.030 . 1 . . . A 35 PRO HG2 . 11532 1 401 . 1 1 35 35 PRO HG3 H 1 1.964 0.030 . 1 . . . A 35 PRO HG3 . 11532 1 402 . 1 1 35 35 PRO HD2 H 1 3.406 0.030 . 2 . . . A 35 PRO HD2 . 11532 1 403 . 1 1 35 35 PRO HD3 H 1 3.574 0.030 . 2 . . . A 35 PRO HD3 . 11532 1 404 . 1 1 35 35 PRO C C 13 177.264 0.300 . 1 . . . A 35 PRO C . 11532 1 405 . 1 1 35 35 PRO CA C 13 64.609 0.300 . 1 . . . A 35 PRO CA . 11532 1 406 . 1 1 35 35 PRO CB C 13 32.256 0.300 . 1 . . . A 35 PRO CB . 11532 1 407 . 1 1 35 35 PRO CG C 13 27.269 0.300 . 1 . . . A 35 PRO CG . 11532 1 408 . 1 1 35 35 PRO CD C 13 50.242 0.300 . 1 . . . A 35 PRO CD . 11532 1 409 . 1 1 36 36 ASP H H 1 8.555 0.030 . 1 . . . A 36 ASP H . 11532 1 410 . 1 1 36 36 ASP HA H 1 4.650 0.030 . 1 . . . A 36 ASP HA . 11532 1 411 . 1 1 36 36 ASP HB2 H 1 2.727 0.030 . 2 . . . A 36 ASP HB2 . 11532 1 412 . 1 1 36 36 ASP HB3 H 1 2.768 0.030 . 2 . . . A 36 ASP HB3 . 11532 1 413 . 1 1 36 36 ASP C C 13 176.000 0.300 . 1 . . . A 36 ASP C . 11532 1 414 . 1 1 36 36 ASP CA C 13 54.006 0.300 . 1 . . . A 36 ASP CA . 11532 1 415 . 1 1 36 36 ASP CB C 13 40.916 0.300 . 1 . . . A 36 ASP CB . 11532 1 416 . 1 1 36 36 ASP N N 15 117.518 0.300 . 1 . . . A 36 ASP N . 11532 1 417 . 1 1 37 37 ALA H H 1 7.897 0.030 . 1 . . . A 37 ALA H . 11532 1 418 . 1 1 37 37 ALA HA H 1 4.392 0.030 . 1 . . . A 37 ALA HA . 11532 1 419 . 1 1 37 37 ALA HB1 H 1 1.467 0.030 . 1 . . . A 37 ALA HB1 . 11532 1 420 . 1 1 37 37 ALA HB2 H 1 1.467 0.030 . 1 . . . A 37 ALA HB2 . 11532 1 421 . 1 1 37 37 ALA HB3 H 1 1.467 0.030 . 1 . . . A 37 ALA HB3 . 11532 1 422 . 1 1 37 37 ALA C C 13 177.751 0.300 . 1 . . . A 37 ALA C . 11532 1 423 . 1 1 37 37 ALA CA C 13 52.579 0.300 . 1 . . . A 37 ALA CA . 11532 1 424 . 1 1 37 37 ALA CB C 13 19.734 0.300 . 1 . . . A 37 ALA CB . 11532 1 425 . 1 1 37 37 ALA N N 15 123.313 0.300 . 1 . . . A 37 ALA N . 11532 1 426 . 1 1 38 38 SER H H 1 8.486 0.030 . 1 . . . A 38 SER H . 11532 1 427 . 1 1 38 38 SER HA H 1 4.428 0.030 . 1 . . . A 38 SER HA . 11532 1 428 . 1 1 38 38 SER HB2 H 1 3.874 0.030 . 2 . . . A 38 SER HB2 . 11532 1 429 . 1 1 38 38 SER HB3 H 1 3.919 0.030 . 2 . . . A 38 SER HB3 . 11532 1 430 . 1 1 38 38 SER C C 13 174.946 0.300 . 1 . . . A 38 SER C . 11532 1 431 . 1 1 38 38 SER CA C 13 58.662 0.300 . 1 . . . A 38 SER CA . 11532 1 432 . 1 1 38 38 SER CB C 13 63.484 0.300 . 1 . . . A 38 SER CB . 11532 1 433 . 1 1 38 38 SER N N 15 115.769 0.300 . 1 . . . A 38 SER N . 11532 1 434 . 1 1 39 39 VAL H H 1 8.071 0.030 . 1 . . . A 39 VAL H . 11532 1 435 . 1 1 39 39 VAL HA H 1 4.098 0.030 . 1 . . . A 39 VAL HA . 11532 1 436 . 1 1 39 39 VAL HB H 1 1.975 0.030 . 1 . . . A 39 VAL HB . 11532 1 437 . 1 1 39 39 VAL HG11 H 1 0.843 0.030 . 2 . . . A 39 VAL HG11 . 11532 1 438 . 1 1 39 39 VAL HG12 H 1 0.843 0.030 . 2 . . . A 39 VAL HG12 . 11532 1 439 . 1 1 39 39 VAL HG13 H 1 0.843 0.030 . 2 . . . A 39 VAL HG13 . 11532 1 440 . 1 1 39 39 VAL HG21 H 1 0.771 0.030 . 2 . . . A 39 VAL HG21 . 11532 1 441 . 1 1 39 39 VAL HG22 H 1 0.771 0.030 . 2 . . . A 39 VAL HG22 . 11532 1 442 . 1 1 39 39 VAL HG23 H 1 0.771 0.030 . 2 . . . A 39 VAL HG23 . 11532 1 443 . 1 1 39 39 VAL C C 13 175.550 0.300 . 1 . . . A 39 VAL C . 11532 1 444 . 1 1 39 39 VAL CA C 13 62.122 0.300 . 1 . . . A 39 VAL CA . 11532 1 445 . 1 1 39 39 VAL CB C 13 32.770 0.300 . 1 . . . A 39 VAL CB . 11532 1 446 . 1 1 39 39 VAL CG1 C 13 20.576 0.300 . 2 . . . A 39 VAL CG1 . 11532 1 447 . 1 1 39 39 VAL CG2 C 13 21.163 0.300 . 2 . . . A 39 VAL CG2 . 11532 1 448 . 1 1 39 39 VAL N N 15 121.347 0.300 . 1 . . . A 39 VAL N . 11532 1 449 . 1 1 40 40 ASN H H 1 8.470 0.030 . 1 . . . A 40 ASN H . 11532 1 450 . 1 1 40 40 ASN HA H 1 4.753 0.030 . 1 . . . A 40 ASN HA . 11532 1 451 . 1 1 40 40 ASN HB2 H 1 2.768 0.030 . 2 . . . A 40 ASN HB2 . 11532 1 452 . 1 1 40 40 ASN HB3 H 1 2.872 0.030 . 2 . . . A 40 ASN HB3 . 11532 1 453 . 1 1 40 40 ASN HD21 H 1 7.021 0.030 . 2 . . . A 40 ASN HD21 . 11532 1 454 . 1 1 40 40 ASN HD22 H 1 7.697 0.030 . 2 . . . A 40 ASN HD22 . 11532 1 455 . 1 1 40 40 ASN C C 13 175.483 0.300 . 1 . . . A 40 ASN C . 11532 1 456 . 1 1 40 40 ASN CA C 13 52.854 0.300 . 1 . . . A 40 ASN CA . 11532 1 457 . 1 1 40 40 ASN CB C 13 38.763 0.300 . 1 . . . A 40 ASN CB . 11532 1 458 . 1 1 40 40 ASN N N 15 122.866 0.300 . 1 . . . A 40 ASN N . 11532 1 459 . 1 1 40 40 ASN ND2 N 15 113.313 0.300 . 1 . . . A 40 ASN ND2 . 11532 1 460 . 1 1 41 41 PHE H H 1 8.598 0.030 . 1 . . . A 41 PHE H . 11532 1 461 . 1 1 41 41 PHE HA H 1 4.158 0.030 . 1 . . . A 41 PHE HA . 11532 1 462 . 1 1 41 41 PHE HB2 H 1 3.084 0.030 . 2 . . . A 41 PHE HB2 . 11532 1 463 . 1 1 41 41 PHE HB3 H 1 3.163 0.030 . 2 . . . A 41 PHE HB3 . 11532 1 464 . 1 1 41 41 PHE HD1 H 1 7.173 0.030 . 1 . . . A 41 PHE HD1 . 11532 1 465 . 1 1 41 41 PHE HD2 H 1 7.173 0.030 . 1 . . . A 41 PHE HD2 . 11532 1 466 . 1 1 41 41 PHE HE1 H 1 7.293 0.030 . 1 . . . A 41 PHE HE1 . 11532 1 467 . 1 1 41 41 PHE HE2 H 1 7.293 0.030 . 1 . . . A 41 PHE HE2 . 11532 1 468 . 1 1 41 41 PHE HZ H 1 7.264 0.030 . 1 . . . A 41 PHE HZ . 11532 1 469 . 1 1 41 41 PHE C C 13 177.161 0.300 . 1 . . . A 41 PHE C . 11532 1 470 . 1 1 41 41 PHE CA C 13 60.178 0.300 . 1 . . . A 41 PHE CA . 11532 1 471 . 1 1 41 41 PHE CB C 13 39.118 0.300 . 1 . . . A 41 PHE CB . 11532 1 472 . 1 1 41 41 PHE CD1 C 13 131.624 0.300 . 1 . . . A 41 PHE CD1 . 11532 1 473 . 1 1 41 41 PHE CD2 C 13 131.624 0.300 . 1 . . . A 41 PHE CD2 . 11532 1 474 . 1 1 41 41 PHE CE1 C 13 131.481 0.300 . 1 . . . A 41 PHE CE1 . 11532 1 475 . 1 1 41 41 PHE CE2 C 13 131.481 0.300 . 1 . . . A 41 PHE CE2 . 11532 1 476 . 1 1 41 41 PHE CZ C 13 129.931 0.300 . 1 . . . A 41 PHE CZ . 11532 1 477 . 1 1 41 41 PHE N N 15 123.436 0.300 . 1 . . . A 41 PHE N . 11532 1 478 . 1 1 42 42 SER H H 1 8.539 0.030 . 1 . . . A 42 SER H . 11532 1 479 . 1 1 42 42 SER HA H 1 4.156 0.030 . 1 . . . A 42 SER HA . 11532 1 480 . 1 1 42 42 SER HB2 H 1 3.920 0.030 . 1 . . . A 42 SER HB2 . 11532 1 481 . 1 1 42 42 SER HB3 H 1 3.920 0.030 . 1 . . . A 42 SER HB3 . 11532 1 482 . 1 1 42 42 SER C C 13 176.198 0.300 . 1 . . . A 42 SER C . 11532 1 483 . 1 1 42 42 SER CA C 13 60.846 0.300 . 1 . . . A 42 SER CA . 11532 1 484 . 1 1 42 42 SER CB C 13 62.791 0.300 . 1 . . . A 42 SER CB . 11532 1 485 . 1 1 42 42 SER N N 15 116.437 0.300 . 1 . . . A 42 SER N . 11532 1 486 . 1 1 43 43 GLU H H 1 7.995 0.030 . 1 . . . A 43 GLU H . 11532 1 487 . 1 1 43 43 GLU HA H 1 4.106 0.030 . 1 . . . A 43 GLU HA . 11532 1 488 . 1 1 43 43 GLU HB2 H 1 1.980 0.030 . 1 . . . A 43 GLU HB2 . 11532 1 489 . 1 1 43 43 GLU HB3 H 1 1.980 0.030 . 1 . . . A 43 GLU HB3 . 11532 1 490 . 1 1 43 43 GLU HG2 H 1 2.238 0.030 . 2 . . . A 43 GLU HG2 . 11532 1 491 . 1 1 43 43 GLU HG3 H 1 2.156 0.030 . 2 . . . A 43 GLU HG3 . 11532 1 492 . 1 1 43 43 GLU C C 13 177.945 0.300 . 1 . . . A 43 GLU C . 11532 1 493 . 1 1 43 43 GLU CA C 13 58.260 0.300 . 1 . . . A 43 GLU CA . 11532 1 494 . 1 1 43 43 GLU CB C 13 29.702 0.300 . 1 . . . A 43 GLU CB . 11532 1 495 . 1 1 43 43 GLU CG C 13 36.289 0.300 . 1 . . . A 43 GLU CG . 11532 1 496 . 1 1 43 43 GLU N N 15 121.700 0.300 . 1 . . . A 43 GLU N . 11532 1 497 . 1 1 44 44 PHE H H 1 7.912 0.030 . 1 . . . A 44 PHE H . 11532 1 498 . 1 1 44 44 PHE HA H 1 4.277 0.030 . 1 . . . A 44 PHE HA . 11532 1 499 . 1 1 44 44 PHE HB2 H 1 2.781 0.030 . 2 . . . A 44 PHE HB2 . 11532 1 500 . 1 1 44 44 PHE HB3 H 1 2.955 0.030 . 2 . . . A 44 PHE HB3 . 11532 1 501 . 1 1 44 44 PHE HD1 H 1 6.964 0.030 . 1 . . . A 44 PHE HD1 . 11532 1 502 . 1 1 44 44 PHE HD2 H 1 6.964 0.030 . 1 . . . A 44 PHE HD2 . 11532 1 503 . 1 1 44 44 PHE HE1 H 1 7.175 0.030 . 1 . . . A 44 PHE HE1 . 11532 1 504 . 1 1 44 44 PHE HE2 H 1 7.175 0.030 . 1 . . . A 44 PHE HE2 . 11532 1 505 . 1 1 44 44 PHE HZ H 1 7.179 0.030 . 1 . . . A 44 PHE HZ . 11532 1 506 . 1 1 44 44 PHE C C 13 176.889 0.300 . 1 . . . A 44 PHE C . 11532 1 507 . 1 1 44 44 PHE CA C 13 59.658 0.300 . 1 . . . A 44 PHE CA . 11532 1 508 . 1 1 44 44 PHE CB C 13 38.804 0.300 . 1 . . . A 44 PHE CB . 11532 1 509 . 1 1 44 44 PHE CD1 C 13 131.509 0.300 . 1 . . . A 44 PHE CD1 . 11532 1 510 . 1 1 44 44 PHE CD2 C 13 131.509 0.300 . 1 . . . A 44 PHE CD2 . 11532 1 511 . 1 1 44 44 PHE CE1 C 13 131.584 0.300 . 1 . . . A 44 PHE CE1 . 11532 1 512 . 1 1 44 44 PHE CE2 C 13 131.584 0.300 . 1 . . . A 44 PHE CE2 . 11532 1 513 . 1 1 44 44 PHE CZ C 13 129.758 0.300 . 1 . . . A 44 PHE CZ . 11532 1 514 . 1 1 44 44 PHE N N 15 118.625 0.300 . 1 . . . A 44 PHE N . 11532 1 515 . 1 1 45 45 SER H H 1 8.005 0.030 . 1 . . . A 45 SER H . 11532 1 516 . 1 1 45 45 SER HA H 1 3.765 0.030 . 1 . . . A 45 SER HA . 11532 1 517 . 1 1 45 45 SER HB2 H 1 3.575 0.030 . 2 . . . A 45 SER HB2 . 11532 1 518 . 1 1 45 45 SER HB3 H 1 3.709 0.030 . 2 . . . A 45 SER HB3 . 11532 1 519 . 1 1 45 45 SER C C 13 176.395 0.300 . 1 . . . A 45 SER C . 11532 1 520 . 1 1 45 45 SER CA C 13 61.498 0.300 . 1 . . . A 45 SER CA . 11532 1 521 . 1 1 45 45 SER CB C 13 62.528 0.300 . 1 . . . A 45 SER CB . 11532 1 522 . 1 1 45 45 SER N N 15 116.128 0.300 . 1 . . . A 45 SER N . 11532 1 523 . 1 1 46 46 LYS H H 1 7.879 0.030 . 1 . . . A 46 LYS H . 11532 1 524 . 1 1 46 46 LYS HA H 1 4.150 0.030 . 1 . . . A 46 LYS HA . 11532 1 525 . 1 1 46 46 LYS HB2 H 1 1.795 0.030 . 2 . . . A 46 LYS HB2 . 11532 1 526 . 1 1 46 46 LYS HB3 H 1 1.878 0.030 . 2 . . . A 46 LYS HB3 . 11532 1 527 . 1 1 46 46 LYS HG3 H 1 1.437 0.030 . 2 . . . A 46 LYS HG3 . 11532 1 528 . 1 1 46 46 LYS HD2 H 1 1.707 0.030 . 1 . . . A 46 LYS HD2 . 11532 1 529 . 1 1 46 46 LYS HD3 H 1 1.707 0.030 . 1 . . . A 46 LYS HD3 . 11532 1 530 . 1 1 46 46 LYS HE3 H 1 2.986 0.030 . 2 . . . A 46 LYS HE3 . 11532 1 531 . 1 1 46 46 LYS C C 13 178.631 0.300 . 1 . . . A 46 LYS C . 11532 1 532 . 1 1 46 46 LYS CA C 13 59.049 0.300 . 1 . . . A 46 LYS CA . 11532 1 533 . 1 1 46 46 LYS CB C 13 32.400 0.300 . 1 . . . A 46 LYS CB . 11532 1 534 . 1 1 46 46 LYS CG C 13 25.116 0.300 . 1 . . . A 46 LYS CG . 11532 1 535 . 1 1 46 46 LYS CD C 13 29.177 0.300 . 1 . . . A 46 LYS CD . 11532 1 536 . 1 1 46 46 LYS CE C 13 42.101 0.300 . 1 . . . A 46 LYS CE . 11532 1 537 . 1 1 46 46 LYS N N 15 122.922 0.300 . 1 . . . A 46 LYS N . 11532 1 538 . 1 1 47 47 LYS H H 1 7.946 0.030 . 1 . . . A 47 LYS H . 11532 1 539 . 1 1 47 47 LYS HA H 1 4.134 0.030 . 1 . . . A 47 LYS HA . 11532 1 540 . 1 1 47 47 LYS HB2 H 1 1.782 0.030 . 2 . . . A 47 LYS HB2 . 11532 1 541 . 1 1 47 47 LYS HB3 H 1 1.877 0.030 . 2 . . . A 47 LYS HB3 . 11532 1 542 . 1 1 47 47 LYS HD2 H 1 1.696 0.030 . 1 . . . A 47 LYS HD2 . 11532 1 543 . 1 1 47 47 LYS HD3 H 1 1.696 0.030 . 1 . . . A 47 LYS HD3 . 11532 1 544 . 1 1 47 47 LYS HE3 H 1 2.980 0.030 . 2 . . . A 47 LYS HE3 . 11532 1 545 . 1 1 47 47 LYS C C 13 180.044 0.300 . 1 . . . A 47 LYS C . 11532 1 546 . 1 1 47 47 LYS CA C 13 59.085 0.300 . 1 . . . A 47 LYS CA . 11532 1 547 . 1 1 47 47 LYS CB C 13 32.036 0.300 . 1 . . . A 47 LYS CB . 11532 1 548 . 1 1 47 47 LYS CG C 13 25.133 0.300 . 1 . . . A 47 LYS CG . 11532 1 549 . 1 1 47 47 LYS CD C 13 29.058 0.300 . 1 . . . A 47 LYS CD . 11532 1 550 . 1 1 47 47 LYS CE C 13 42.083 0.300 . 1 . . . A 47 LYS CE . 11532 1 551 . 1 1 47 47 LYS N N 15 119.310 0.300 . 1 . . . A 47 LYS N . 11532 1 552 . 1 1 48 48 CYS H H 1 8.201 0.030 . 1 . . . A 48 CYS H . 11532 1 553 . 1 1 48 48 CYS HA H 1 4.547 0.030 . 1 . . . A 48 CYS HA . 11532 1 554 . 1 1 48 48 CYS HB2 H 1 2.996 0.030 . 2 . . . A 48 CYS HB2 . 11532 1 555 . 1 1 48 48 CYS HB3 H 1 3.163 0.030 . 2 . . . A 48 CYS HB3 . 11532 1 556 . 1 1 48 48 CYS C C 13 176.439 0.300 . 1 . . . A 48 CYS C . 11532 1 557 . 1 1 48 48 CYS CA C 13 58.591 0.300 . 1 . . . A 48 CYS CA . 11532 1 558 . 1 1 48 48 CYS CB C 13 39.928 0.300 . 1 . . . A 48 CYS CB . 11532 1 559 . 1 1 48 48 CYS N N 15 118.032 0.300 . 1 . . . A 48 CYS N . 11532 1 560 . 1 1 49 49 SER H H 1 8.397 0.030 . 1 . . . A 49 SER H . 11532 1 561 . 1 1 49 49 SER HA H 1 4.106 0.030 . 1 . . . A 49 SER HA . 11532 1 562 . 1 1 49 49 SER HB2 H 1 4.106 0.030 . 2 . . . A 49 SER HB2 . 11532 1 563 . 1 1 49 49 SER HB3 H 1 4.415 0.030 . 2 . . . A 49 SER HB3 . 11532 1 564 . 1 1 49 49 SER C C 13 177.401 0.300 . 1 . . . A 49 SER C . 11532 1 565 . 1 1 49 49 SER CA C 13 62.551 0.300 . 1 . . . A 49 SER CA . 11532 1 566 . 1 1 49 49 SER CB C 13 62.560 0.300 . 1 . . . A 49 SER CB . 11532 1 567 . 1 1 49 49 SER N N 15 116.883 0.300 . 1 . . . A 49 SER N . 11532 1 568 . 1 1 50 50 GLU H H 1 8.156 0.030 . 1 . . . A 50 GLU H . 11532 1 569 . 1 1 50 50 GLU HA H 1 4.140 0.030 . 1 . . . A 50 GLU HA . 11532 1 570 . 1 1 50 50 GLU HB2 H 1 2.162 0.030 . 2 . . . A 50 GLU HB2 . 11532 1 571 . 1 1 50 50 GLU HB3 H 1 2.217 0.030 . 2 . . . A 50 GLU HB3 . 11532 1 572 . 1 1 50 50 GLU HG2 H 1 2.382 0.030 . 2 . . . A 50 GLU HG2 . 11532 1 573 . 1 1 50 50 GLU HG3 H 1 2.476 0.030 . 2 . . . A 50 GLU HG3 . 11532 1 574 . 1 1 50 50 GLU C C 13 179.258 0.300 . 1 . . . A 50 GLU C . 11532 1 575 . 1 1 50 50 GLU CA C 13 59.075 0.300 . 1 . . . A 50 GLU CA . 11532 1 576 . 1 1 50 50 GLU CB C 13 29.490 0.300 . 1 . . . A 50 GLU CB . 11532 1 577 . 1 1 50 50 GLU CG C 13 36.470 0.300 . 1 . . . A 50 GLU CG . 11532 1 578 . 1 1 50 50 GLU N N 15 121.350 0.300 . 1 . . . A 50 GLU N . 11532 1 579 . 1 1 51 51 ARG H H 1 8.009 0.030 . 1 . . . A 51 ARG H . 11532 1 580 . 1 1 51 51 ARG HA H 1 4.177 0.030 . 1 . . . A 51 ARG HA . 11532 1 581 . 1 1 51 51 ARG HB2 H 1 2.295 0.030 . 2 . . . A 51 ARG HB2 . 11532 1 582 . 1 1 51 51 ARG HB3 H 1 2.331 0.030 . 2 . . . A 51 ARG HB3 . 11532 1 583 . 1 1 51 51 ARG HG2 H 1 1.918 0.030 . 2 . . . A 51 ARG HG2 . 11532 1 584 . 1 1 51 51 ARG HG3 H 1 1.991 0.030 . 2 . . . A 51 ARG HG3 . 11532 1 585 . 1 1 51 51 ARG HD2 H 1 3.369 0.030 . 2 . . . A 51 ARG HD2 . 11532 1 586 . 1 1 51 51 ARG HD3 H 1 3.477 0.030 . 2 . . . A 51 ARG HD3 . 11532 1 587 . 1 1 51 51 ARG HE H 1 7.511 0.030 . 1 . . . A 51 ARG HE . 11532 1 588 . 1 1 51 51 ARG C C 13 178.673 0.300 . 1 . . . A 51 ARG C . 11532 1 589 . 1 1 51 51 ARG CA C 13 58.990 0.300 . 1 . . . A 51 ARG CA . 11532 1 590 . 1 1 51 51 ARG CB C 13 30.446 0.300 . 1 . . . A 51 ARG CB . 11532 1 591 . 1 1 51 51 ARG CG C 13 27.563 0.300 . 1 . . . A 51 ARG CG . 11532 1 592 . 1 1 51 51 ARG CD C 13 44.040 0.300 . 1 . . . A 51 ARG CD . 11532 1 593 . 1 1 51 51 ARG N N 15 120.202 0.300 . 1 . . . A 51 ARG N . 11532 1 594 . 1 1 51 51 ARG NE N 15 84.674 0.300 . 1 . . . A 51 ARG NE . 11532 1 595 . 1 1 52 52 TRP H H 1 8.170 0.030 . 1 . . . A 52 TRP H . 11532 1 596 . 1 1 52 52 TRP HA H 1 4.301 0.030 . 1 . . . A 52 TRP HA . 11532 1 597 . 1 1 52 52 TRP HB2 H 1 3.367 0.030 . 2 . . . A 52 TRP HB2 . 11532 1 598 . 1 1 52 52 TRP HB3 H 1 3.442 0.030 . 2 . . . A 52 TRP HB3 . 11532 1 599 . 1 1 52 52 TRP HD1 H 1 7.050 0.030 . 1 . . . A 52 TRP HD1 . 11532 1 600 . 1 1 52 52 TRP HE1 H 1 10.142 0.030 . 1 . . . A 52 TRP HE1 . 11532 1 601 . 1 1 52 52 TRP HE3 H 1 6.337 0.030 . 1 . . . A 52 TRP HE3 . 11532 1 602 . 1 1 52 52 TRP HZ2 H 1 7.606 0.030 . 1 . . . A 52 TRP HZ2 . 11532 1 603 . 1 1 52 52 TRP HZ3 H 1 6.602 0.030 . 1 . . . A 52 TRP HZ3 . 11532 1 604 . 1 1 52 52 TRP HH2 H 1 7.154 0.030 . 1 . . . A 52 TRP HH2 . 11532 1 605 . 1 1 52 52 TRP C C 13 177.931 0.300 . 1 . . . A 52 TRP C . 11532 1 606 . 1 1 52 52 TRP CA C 13 59.641 0.300 . 1 . . . A 52 TRP CA . 11532 1 607 . 1 1 52 52 TRP CB C 13 30.335 0.300 . 1 . . . A 52 TRP CB . 11532 1 608 . 1 1 52 52 TRP CD1 C 13 127.717 0.300 . 1 . . . A 52 TRP CD1 . 11532 1 609 . 1 1 52 52 TRP CE3 C 13 121.924 0.300 . 1 . . . A 52 TRP CE3 . 11532 1 610 . 1 1 52 52 TRP CZ2 C 13 114.359 0.300 . 1 . . . A 52 TRP CZ2 . 11532 1 611 . 1 1 52 52 TRP CZ3 C 13 121.895 0.300 . 1 . . . A 52 TRP CZ3 . 11532 1 612 . 1 1 52 52 TRP CH2 C 13 124.128 0.300 . 1 . . . A 52 TRP CH2 . 11532 1 613 . 1 1 52 52 TRP N N 15 119.976 0.300 . 1 . . . A 52 TRP N . 11532 1 614 . 1 1 52 52 TRP NE1 N 15 128.329 0.300 . 1 . . . A 52 TRP NE1 . 11532 1 615 . 1 1 53 53 LYS H H 1 7.655 0.030 . 1 . . . A 53 LYS H . 11532 1 616 . 1 1 53 53 LYS HA H 1 4.003 0.030 . 1 . . . A 53 LYS HA . 11532 1 617 . 1 1 53 53 LYS HB2 H 1 2.021 0.030 . 1 . . . A 53 LYS HB2 . 11532 1 618 . 1 1 53 53 LYS HB3 H 1 2.021 0.030 . 1 . . . A 53 LYS HB3 . 11532 1 619 . 1 1 53 53 LYS HG2 H 1 1.750 0.030 . 2 . . . A 53 LYS HG2 . 11532 1 620 . 1 1 53 53 LYS HG3 H 1 1.542 0.030 . 2 . . . A 53 LYS HG3 . 11532 1 621 . 1 1 53 53 LYS HD2 H 1 1.753 0.030 . 1 . . . A 53 LYS HD2 . 11532 1 622 . 1 1 53 53 LYS HD3 H 1 1.753 0.030 . 1 . . . A 53 LYS HD3 . 11532 1 623 . 1 1 53 53 LYS HE2 H 1 3.011 0.030 . 2 . . . A 53 LYS HE2 . 11532 1 624 . 1 1 53 53 LYS C C 13 178.232 0.300 . 1 . . . A 53 LYS C . 11532 1 625 . 1 1 53 53 LYS CA C 13 58.670 0.300 . 1 . . . A 53 LYS CA . 11532 1 626 . 1 1 53 53 LYS CB C 13 33.000 0.300 . 1 . . . A 53 LYS CB . 11532 1 627 . 1 1 53 53 LYS CG C 13 25.487 0.300 . 1 . . . A 53 LYS CG . 11532 1 628 . 1 1 53 53 LYS CD C 13 29.744 0.300 . 1 . . . A 53 LYS CD . 11532 1 629 . 1 1 53 53 LYS CE C 13 42.106 0.300 . 1 . . . A 53 LYS CE . 11532 1 630 . 1 1 53 53 LYS N N 15 114.806 0.300 . 1 . . . A 53 LYS N . 11532 1 631 . 1 1 54 54 THR H H 1 7.449 0.030 . 1 . . . A 54 THR H . 11532 1 632 . 1 1 54 54 THR HA H 1 4.403 0.030 . 1 . . . A 54 THR HA . 11532 1 633 . 1 1 54 54 THR HB H 1 4.492 0.030 . 1 . . . A 54 THR HB . 11532 1 634 . 1 1 54 54 THR HG21 H 1 1.254 0.030 . 1 . . . A 54 THR HG21 . 11532 1 635 . 1 1 54 54 THR HG22 H 1 1.254 0.030 . 1 . . . A 54 THR HG22 . 11532 1 636 . 1 1 54 54 THR HG23 H 1 1.254 0.030 . 1 . . . A 54 THR HG23 . 11532 1 637 . 1 1 54 54 THR C C 13 174.868 0.300 . 1 . . . A 54 THR C . 11532 1 638 . 1 1 54 54 THR CA C 13 61.270 0.300 . 1 . . . A 54 THR CA . 11532 1 639 . 1 1 54 54 THR CB C 13 69.631 0.300 . 1 . . . A 54 THR CB . 11532 1 640 . 1 1 54 54 THR CG2 C 13 21.741 0.300 . 1 . . . A 54 THR CG2 . 11532 1 641 . 1 1 54 54 THR N N 15 106.393 0.300 . 1 . . . A 54 THR N . 11532 1 642 . 1 1 55 55 MET H H 1 7.157 0.030 . 1 . . . A 55 MET H . 11532 1 643 . 1 1 55 55 MET HA H 1 4.217 0.030 . 1 . . . A 55 MET HA . 11532 1 644 . 1 1 55 55 MET HB2 H 1 1.722 0.030 . 2 . . . A 55 MET HB2 . 11532 1 645 . 1 1 55 55 MET HB3 H 1 1.823 0.030 . 2 . . . A 55 MET HB3 . 11532 1 646 . 1 1 55 55 MET HG2 H 1 2.559 0.030 . 1 . . . A 55 MET HG2 . 11532 1 647 . 1 1 55 55 MET HG3 H 1 2.559 0.030 . 1 . . . A 55 MET HG3 . 11532 1 648 . 1 1 55 55 MET HE1 H 1 1.880 0.030 . 1 . . . A 55 MET HE1 . 11532 1 649 . 1 1 55 55 MET HE2 H 1 1.880 0.030 . 1 . . . A 55 MET HE2 . 11532 1 650 . 1 1 55 55 MET HE3 H 1 1.880 0.030 . 1 . . . A 55 MET HE3 . 11532 1 651 . 1 1 55 55 MET C C 13 175.972 0.300 . 1 . . . A 55 MET C . 11532 1 652 . 1 1 55 55 MET CA C 13 56.666 0.300 . 1 . . . A 55 MET CA . 11532 1 653 . 1 1 55 55 MET CB C 13 35.006 0.300 . 1 . . . A 55 MET CB . 11532 1 654 . 1 1 55 55 MET CG C 13 31.642 0.300 . 1 . . . A 55 MET CG . 11532 1 655 . 1 1 55 55 MET CE C 13 16.640 0.300 . 1 . . . A 55 MET CE . 11532 1 656 . 1 1 55 55 MET N N 15 124.071 0.300 . 1 . . . A 55 MET N . 11532 1 657 . 1 1 56 56 SER H H 1 9.038 0.030 . 1 . . . A 56 SER H . 11532 1 658 . 1 1 56 56 SER HA H 1 4.372 0.030 . 1 . . . A 56 SER HA . 11532 1 659 . 1 1 56 56 SER HB2 H 1 4.089 0.030 . 2 . . . A 56 SER HB2 . 11532 1 660 . 1 1 56 56 SER HB3 H 1 4.380 0.030 . 2 . . . A 56 SER HB3 . 11532 1 661 . 1 1 56 56 SER C C 13 174.565 0.300 . 1 . . . A 56 SER C . 11532 1 662 . 1 1 56 56 SER CA C 13 57.266 0.300 . 1 . . . A 56 SER CA . 11532 1 663 . 1 1 56 56 SER CB C 13 65.418 0.300 . 1 . . . A 56 SER CB . 11532 1 664 . 1 1 56 56 SER N N 15 120.238 0.300 . 1 . . . A 56 SER N . 11532 1 665 . 1 1 57 57 ALA H H 1 8.887 0.030 . 1 . . . A 57 ALA H . 11532 1 666 . 1 1 57 57 ALA HA H 1 3.949 0.030 . 1 . . . A 57 ALA HA . 11532 1 667 . 1 1 57 57 ALA HB1 H 1 1.455 0.030 . 1 . . . A 57 ALA HB1 . 11532 1 668 . 1 1 57 57 ALA HB2 H 1 1.455 0.030 . 1 . . . A 57 ALA HB2 . 11532 1 669 . 1 1 57 57 ALA HB3 H 1 1.455 0.030 . 1 . . . A 57 ALA HB3 . 11532 1 670 . 1 1 57 57 ALA C C 13 181.312 0.300 . 1 . . . A 57 ALA C . 11532 1 671 . 1 1 57 57 ALA CA C 13 55.546 0.300 . 1 . . . A 57 ALA CA . 11532 1 672 . 1 1 57 57 ALA CB C 13 17.894 0.300 . 1 . . . A 57 ALA CB . 11532 1 673 . 1 1 57 57 ALA N N 15 123.582 0.300 . 1 . . . A 57 ALA N . 11532 1 674 . 1 1 58 58 LYS H H 1 8.311 0.030 . 1 . . . A 58 LYS H . 11532 1 675 . 1 1 58 58 LYS HA H 1 4.073 0.030 . 1 . . . A 58 LYS HA . 11532 1 676 . 1 1 58 58 LYS HB2 H 1 1.760 0.030 . 2 . . . A 58 LYS HB2 . 11532 1 677 . 1 1 58 58 LYS HB3 H 1 1.893 0.030 . 2 . . . A 58 LYS HB3 . 11532 1 678 . 1 1 58 58 LYS HG2 H 1 1.499 0.030 . 1 . . . A 58 LYS HG2 . 11532 1 679 . 1 1 58 58 LYS HG3 H 1 1.499 0.030 . 1 . . . A 58 LYS HG3 . 11532 1 680 . 1 1 58 58 LYS HD2 H 1 1.691 0.030 . 1 . . . A 58 LYS HD2 . 11532 1 681 . 1 1 58 58 LYS HD3 H 1 1.691 0.030 . 1 . . . A 58 LYS HD3 . 11532 1 682 . 1 1 58 58 LYS HE3 H 1 3.007 0.030 . 2 . . . A 58 LYS HE3 . 11532 1 683 . 1 1 58 58 LYS C C 13 179.696 0.300 . 1 . . . A 58 LYS C . 11532 1 684 . 1 1 58 58 LYS CA C 13 59.359 0.300 . 1 . . . A 58 LYS CA . 11532 1 685 . 1 1 58 58 LYS CB C 13 32.657 0.300 . 1 . . . A 58 LYS CB . 11532 1 686 . 1 1 58 58 LYS CG C 13 25.116 0.300 . 1 . . . A 58 LYS CG . 11532 1 687 . 1 1 58 58 LYS CD C 13 29.173 0.300 . 1 . . . A 58 LYS CD . 11532 1 688 . 1 1 58 58 LYS CE C 13 42.083 0.300 . 1 . . . A 58 LYS CE . 11532 1 689 . 1 1 58 58 LYS N N 15 118.261 0.300 . 1 . . . A 58 LYS N . 11532 1 690 . 1 1 59 59 GLU H H 1 7.704 0.030 . 1 . . . A 59 GLU H . 11532 1 691 . 1 1 59 59 GLU HA H 1 4.119 0.030 . 1 . . . A 59 GLU HA . 11532 1 692 . 1 1 59 59 GLU HB2 H 1 2.166 0.030 . 2 . . . A 59 GLU HB2 . 11532 1 693 . 1 1 59 59 GLU HB3 H 1 2.238 0.030 . 2 . . . A 59 GLU HB3 . 11532 1 694 . 1 1 59 59 GLU HG2 H 1 2.415 0.030 . 1 . . . A 59 GLU HG2 . 11532 1 695 . 1 1 59 59 GLU HG3 H 1 2.415 0.030 . 1 . . . A 59 GLU HG3 . 11532 1 696 . 1 1 59 59 GLU C C 13 178.851 0.300 . 1 . . . A 59 GLU C . 11532 1 697 . 1 1 59 59 GLU CA C 13 59.048 0.300 . 1 . . . A 59 GLU CA . 11532 1 698 . 1 1 59 59 GLU CB C 13 30.176 0.300 . 1 . . . A 59 GLU CB . 11532 1 699 . 1 1 59 59 GLU CG C 13 37.600 0.300 . 1 . . . A 59 GLU CG . 11532 1 700 . 1 1 59 59 GLU N N 15 120.620 0.300 . 1 . . . A 59 GLU N . 11532 1 701 . 1 1 60 60 LYS H H 1 8.241 0.030 . 1 . . . A 60 LYS H . 11532 1 702 . 1 1 60 60 LYS HA H 1 4.233 0.030 . 1 . . . A 60 LYS HA . 11532 1 703 . 1 1 60 60 LYS HB2 H 1 1.611 0.030 . 2 . . . A 60 LYS HB2 . 11532 1 704 . 1 1 60 60 LYS HB3 H 1 1.810 0.030 . 2 . . . A 60 LYS HB3 . 11532 1 705 . 1 1 60 60 LYS HG2 H 1 1.103 0.030 . 2 . . . A 60 LYS HG2 . 11532 1 706 . 1 1 60 60 LYS HG3 H 1 0.273 0.030 . 2 . . . A 60 LYS HG3 . 11532 1 707 . 1 1 60 60 LYS HD2 H 1 0.936 0.030 . 2 . . . A 60 LYS HD2 . 11532 1 708 . 1 1 60 60 LYS HD3 H 1 0.895 0.030 . 2 . . . A 60 LYS HD3 . 11532 1 709 . 1 1 60 60 LYS HE2 H 1 1.264 0.030 . 2 . . . A 60 LYS HE2 . 11532 1 710 . 1 1 60 60 LYS HE3 H 1 1.946 0.030 . 2 . . . A 60 LYS HE3 . 11532 1 711 . 1 1 60 60 LYS C C 13 179.056 0.300 . 1 . . . A 60 LYS C . 11532 1 712 . 1 1 60 60 LYS CA C 13 59.789 0.300 . 1 . . . A 60 LYS CA . 11532 1 713 . 1 1 60 60 LYS CB C 13 33.116 0.300 . 1 . . . A 60 LYS CB . 11532 1 714 . 1 1 60 60 LYS CG C 13 26.394 0.300 . 1 . . . A 60 LYS CG . 11532 1 715 . 1 1 60 60 LYS CD C 13 29.271 0.300 . 1 . . . A 60 LYS CD . 11532 1 716 . 1 1 60 60 LYS CE C 13 41.925 0.300 . 1 . . . A 60 LYS CE . 11532 1 717 . 1 1 60 60 LYS N N 15 117.468 0.300 . 1 . . . A 60 LYS N . 11532 1 718 . 1 1 61 61 GLY H H 1 7.919 0.030 . 1 . . . A 61 GLY H . 11532 1 719 . 1 1 61 61 GLY HA2 H 1 3.900 0.030 . 2 . . . A 61 GLY HA2 . 11532 1 720 . 1 1 61 61 GLY HA3 H 1 4.061 0.030 . 2 . . . A 61 GLY HA3 . 11532 1 721 . 1 1 61 61 GLY C C 13 175.315 0.300 . 1 . . . A 61 GLY C . 11532 1 722 . 1 1 61 61 GLY CA C 13 47.912 0.300 . 1 . . . A 61 GLY CA . 11532 1 723 . 1 1 61 61 GLY N N 15 107.157 0.300 . 1 . . . A 61 GLY N . 11532 1 724 . 1 1 62 62 LYS H H 1 7.896 0.030 . 1 . . . A 62 LYS H . 11532 1 725 . 1 1 62 62 LYS HA H 1 4.093 0.030 . 1 . . . A 62 LYS HA . 11532 1 726 . 1 1 62 62 LYS HB2 H 1 1.402 0.030 . 2 . . . A 62 LYS HB2 . 11532 1 727 . 1 1 62 62 LYS HB3 H 1 1.682 0.030 . 2 . . . A 62 LYS HB3 . 11532 1 728 . 1 1 62 62 LYS HG2 H 1 0.861 0.030 . 2 . . . A 62 LYS HG2 . 11532 1 729 . 1 1 62 62 LYS HG3 H 1 0.891 0.030 . 2 . . . A 62 LYS HG3 . 11532 1 730 . 1 1 62 62 LYS HD2 H 1 1.499 0.030 . 1 . . . A 62 LYS HD2 . 11532 1 731 . 1 1 62 62 LYS HD3 H 1 1.499 0.030 . 1 . . . A 62 LYS HD3 . 11532 1 732 . 1 1 62 62 LYS HE2 H 1 2.805 0.030 . 1 . . . A 62 LYS HE2 . 11532 1 733 . 1 1 62 62 LYS HE3 H 1 2.805 0.030 . 1 . . . A 62 LYS HE3 . 11532 1 734 . 1 1 62 62 LYS C C 13 178.751 0.300 . 1 . . . A 62 LYS C . 11532 1 735 . 1 1 62 62 LYS CA C 13 59.085 0.300 . 1 . . . A 62 LYS CA . 11532 1 736 . 1 1 62 62 LYS CB C 13 31.699 0.300 . 1 . . . A 62 LYS CB . 11532 1 737 . 1 1 62 62 LYS CG C 13 23.778 0.300 . 1 . . . A 62 LYS CG . 11532 1 738 . 1 1 62 62 LYS CD C 13 29.098 0.300 . 1 . . . A 62 LYS CD . 11532 1 739 . 1 1 62 62 LYS CE C 13 41.814 0.300 . 1 . . . A 62 LYS CE . 11532 1 740 . 1 1 62 62 LYS N N 15 119.563 0.300 . 1 . . . A 62 LYS N . 11532 1 741 . 1 1 63 63 PHE H H 1 7.379 0.030 . 1 . . . A 63 PHE H . 11532 1 742 . 1 1 63 63 PHE HA H 1 4.451 0.030 . 1 . . . A 63 PHE HA . 11532 1 743 . 1 1 63 63 PHE HB2 H 1 4.085 0.030 . 2 . . . A 63 PHE HB2 . 11532 1 744 . 1 1 63 63 PHE HB3 H 1 3.417 0.030 . 2 . . . A 63 PHE HB3 . 11532 1 745 . 1 1 63 63 PHE HD1 H 1 7.650 0.030 . 1 . . . A 63 PHE HD1 . 11532 1 746 . 1 1 63 63 PHE HD2 H 1 7.650 0.030 . 1 . . . A 63 PHE HD2 . 11532 1 747 . 1 1 63 63 PHE HE1 H 1 7.697 0.030 . 1 . . . A 63 PHE HE1 . 11532 1 748 . 1 1 63 63 PHE HE2 H 1 7.697 0.030 . 1 . . . A 63 PHE HE2 . 11532 1 749 . 1 1 63 63 PHE HZ H 1 7.793 0.030 . 1 . . . A 63 PHE HZ . 11532 1 750 . 1 1 63 63 PHE C C 13 178.545 0.300 . 1 . . . A 63 PHE C . 11532 1 751 . 1 1 63 63 PHE CA C 13 61.083 0.300 . 1 . . . A 63 PHE CA . 11532 1 752 . 1 1 63 63 PHE CB C 13 38.829 0.300 . 1 . . . A 63 PHE CB . 11532 1 753 . 1 1 63 63 PHE CD1 C 13 132.262 0.300 . 1 . . . A 63 PHE CD1 . 11532 1 754 . 1 1 63 63 PHE CD2 C 13 132.262 0.300 . 1 . . . A 63 PHE CD2 . 11532 1 755 . 1 1 63 63 PHE CE1 C 13 132.277 0.300 . 1 . . . A 63 PHE CE1 . 11532 1 756 . 1 1 63 63 PHE CE2 C 13 132.277 0.300 . 1 . . . A 63 PHE CE2 . 11532 1 757 . 1 1 63 63 PHE CZ C 13 130.718 0.300 . 1 . . . A 63 PHE CZ . 11532 1 758 . 1 1 63 63 PHE N N 15 119.990 0.300 . 1 . . . A 63 PHE N . 11532 1 759 . 1 1 64 64 GLU H H 1 8.458 0.030 . 1 . . . A 64 GLU H . 11532 1 760 . 1 1 64 64 GLU HA H 1 4.454 0.030 . 1 . . . A 64 GLU HA . 11532 1 761 . 1 1 64 64 GLU HB2 H 1 2.266 0.030 . 2 . . . A 64 GLU HB2 . 11532 1 762 . 1 1 64 64 GLU HB3 H 1 2.375 0.030 . 2 . . . A 64 GLU HB3 . 11532 1 763 . 1 1 64 64 GLU HG2 H 1 2.560 0.030 . 2 . . . A 64 GLU HG2 . 11532 1 764 . 1 1 64 64 GLU HG3 H 1 2.596 0.030 . 2 . . . A 64 GLU HG3 . 11532 1 765 . 1 1 64 64 GLU C C 13 180.289 0.300 . 1 . . . A 64 GLU C . 11532 1 766 . 1 1 64 64 GLU CA C 13 59.285 0.300 . 1 . . . A 64 GLU CA . 11532 1 767 . 1 1 64 64 GLU CB C 13 28.841 0.300 . 1 . . . A 64 GLU CB . 11532 1 768 . 1 1 64 64 GLU CG C 13 36.002 0.300 . 1 . . . A 64 GLU CG . 11532 1 769 . 1 1 64 64 GLU N N 15 122.268 0.300 . 1 . . . A 64 GLU N . 11532 1 770 . 1 1 65 65 ASP H H 1 8.649 0.030 . 1 . . . A 65 ASP H . 11532 1 771 . 1 1 65 65 ASP HA H 1 4.486 0.030 . 1 . . . A 65 ASP HA . 11532 1 772 . 1 1 65 65 ASP HB2 H 1 2.615 0.030 . 2 . . . A 65 ASP HB2 . 11532 1 773 . 1 1 65 65 ASP HB3 H 1 2.790 0.030 . 2 . . . A 65 ASP HB3 . 11532 1 774 . 1 1 65 65 ASP C C 13 179.792 0.300 . 1 . . . A 65 ASP C . 11532 1 775 . 1 1 65 65 ASP CA C 13 57.760 0.300 . 1 . . . A 65 ASP CA . 11532 1 776 . 1 1 65 65 ASP CB C 13 39.559 0.300 . 1 . . . A 65 ASP CB . 11532 1 777 . 1 1 65 65 ASP N N 15 121.435 0.300 . 1 . . . A 65 ASP N . 11532 1 778 . 1 1 66 66 MET H H 1 7.422 0.030 . 1 . . . A 66 MET H . 11532 1 779 . 1 1 66 66 MET HA H 1 3.823 0.030 . 1 . . . A 66 MET HA . 11532 1 780 . 1 1 66 66 MET HB2 H 1 0.515 0.030 . 2 . . . A 66 MET HB2 . 11532 1 781 . 1 1 66 66 MET HB3 H 1 1.689 0.030 . 2 . . . A 66 MET HB3 . 11532 1 782 . 1 1 66 66 MET HG2 H 1 2.202 0.030 . 2 . . . A 66 MET HG2 . 11532 1 783 . 1 1 66 66 MET HG3 H 1 2.638 0.030 . 2 . . . A 66 MET HG3 . 11532 1 784 . 1 1 66 66 MET HE1 H 1 1.869 0.030 . 1 . . . A 66 MET HE1 . 11532 1 785 . 1 1 66 66 MET HE2 H 1 1.869 0.030 . 1 . . . A 66 MET HE2 . 11532 1 786 . 1 1 66 66 MET HE3 H 1 1.869 0.030 . 1 . . . A 66 MET HE3 . 11532 1 787 . 1 1 66 66 MET C C 13 178.769 0.300 . 1 . . . A 66 MET C . 11532 1 788 . 1 1 66 66 MET CA C 13 59.410 0.300 . 1 . . . A 66 MET CA . 11532 1 789 . 1 1 66 66 MET CB C 13 31.629 0.300 . 1 . . . A 66 MET CB . 11532 1 790 . 1 1 66 66 MET CG C 13 32.212 0.300 . 1 . . . A 66 MET CG . 11532 1 791 . 1 1 66 66 MET CE C 13 17.769 0.300 . 1 . . . A 66 MET CE . 11532 1 792 . 1 1 66 66 MET N N 15 121.057 0.300 . 1 . . . A 66 MET N . 11532 1 793 . 1 1 67 67 ALA H H 1 8.036 0.030 . 1 . . . A 67 ALA H . 11532 1 794 . 1 1 67 67 ALA HA H 1 4.432 0.030 . 1 . . . A 67 ALA HA . 11532 1 795 . 1 1 67 67 ALA HB1 H 1 1.805 0.030 . 1 . . . A 67 ALA HB1 . 11532 1 796 . 1 1 67 67 ALA HB2 H 1 1.805 0.030 . 1 . . . A 67 ALA HB2 . 11532 1 797 . 1 1 67 67 ALA HB3 H 1 1.805 0.030 . 1 . . . A 67 ALA HB3 . 11532 1 798 . 1 1 67 67 ALA C C 13 180.663 0.300 . 1 . . . A 67 ALA C . 11532 1 799 . 1 1 67 67 ALA CA C 13 55.600 0.300 . 1 . . . A 67 ALA CA . 11532 1 800 . 1 1 67 67 ALA CB C 13 18.617 0.300 . 1 . . . A 67 ALA CB . 11532 1 801 . 1 1 67 67 ALA N N 15 123.573 0.300 . 1 . . . A 67 ALA N . 11532 1 802 . 1 1 68 68 LYS H H 1 8.605 0.030 . 1 . . . A 68 LYS H . 11532 1 803 . 1 1 68 68 LYS HA H 1 4.157 0.030 . 1 . . . A 68 LYS HA . 11532 1 804 . 1 1 68 68 LYS HB2 H 1 2.046 0.030 . 1 . . . A 68 LYS HB2 . 11532 1 805 . 1 1 68 68 LYS HB3 H 1 2.046 0.030 . 1 . . . A 68 LYS HB3 . 11532 1 806 . 1 1 68 68 LYS HG2 H 1 1.515 0.030 . 2 . . . A 68 LYS HG2 . 11532 1 807 . 1 1 68 68 LYS HG3 H 1 1.727 0.030 . 2 . . . A 68 LYS HG3 . 11532 1 808 . 1 1 68 68 LYS HD2 H 1 1.768 0.030 . 1 . . . A 68 LYS HD2 . 11532 1 809 . 1 1 68 68 LYS HD3 H 1 1.768 0.030 . 1 . . . A 68 LYS HD3 . 11532 1 810 . 1 1 68 68 LYS HE3 H 1 3.040 0.030 . 2 . . . A 68 LYS HE3 . 11532 1 811 . 1 1 68 68 LYS C C 13 179.933 0.300 . 1 . . . A 68 LYS C . 11532 1 812 . 1 1 68 68 LYS CA C 13 60.194 0.300 . 1 . . . A 68 LYS CA . 11532 1 813 . 1 1 68 68 LYS CB C 13 32.599 0.300 . 1 . . . A 68 LYS CB . 11532 1 814 . 1 1 68 68 LYS CG C 13 25.432 0.300 . 1 . . . A 68 LYS CG . 11532 1 815 . 1 1 68 68 LYS CD C 13 30.097 0.300 . 1 . . . A 68 LYS CD . 11532 1 816 . 1 1 68 68 LYS CE C 13 42.168 0.300 . 1 . . . A 68 LYS CE . 11532 1 817 . 1 1 68 68 LYS N N 15 122.557 0.300 . 1 . . . A 68 LYS N . 11532 1 818 . 1 1 69 69 ALA H H 1 7.977 0.030 . 1 . . . A 69 ALA H . 11532 1 819 . 1 1 69 69 ALA HA H 1 4.350 0.030 . 1 . . . A 69 ALA HA . 11532 1 820 . 1 1 69 69 ALA HB1 H 1 1.556 0.030 . 1 . . . A 69 ALA HB1 . 11532 1 821 . 1 1 69 69 ALA HB2 H 1 1.556 0.030 . 1 . . . A 69 ALA HB2 . 11532 1 822 . 1 1 69 69 ALA HB3 H 1 1.556 0.030 . 1 . . . A 69 ALA HB3 . 11532 1 823 . 1 1 69 69 ALA C C 13 180.835 0.300 . 1 . . . A 69 ALA C . 11532 1 824 . 1 1 69 69 ALA CA C 13 54.822 0.300 . 1 . . . A 69 ALA CA . 11532 1 825 . 1 1 69 69 ALA CB C 13 17.756 0.300 . 1 . . . A 69 ALA CB . 11532 1 826 . 1 1 69 69 ALA N N 15 122.940 0.300 . 1 . . . A 69 ALA N . 11532 1 827 . 1 1 70 70 ASP H H 1 8.401 0.030 . 1 . . . A 70 ASP H . 11532 1 828 . 1 1 70 70 ASP HA H 1 4.964 0.030 . 1 . . . A 70 ASP HA . 11532 1 829 . 1 1 70 70 ASP HB2 H 1 3.120 0.030 . 1 . . . A 70 ASP HB2 . 11532 1 830 . 1 1 70 70 ASP HB3 H 1 3.120 0.030 . 1 . . . A 70 ASP HB3 . 11532 1 831 . 1 1 70 70 ASP C C 13 177.722 0.300 . 1 . . . A 70 ASP C . 11532 1 832 . 1 1 70 70 ASP CA C 13 57.522 0.300 . 1 . . . A 70 ASP CA . 11532 1 833 . 1 1 70 70 ASP CB C 13 42.745 0.300 . 1 . . . A 70 ASP CB . 11532 1 834 . 1 1 70 70 ASP N N 15 120.661 0.300 . 1 . . . A 70 ASP N . 11532 1 835 . 1 1 71 71 LYS H H 1 8.259 0.030 . 1 . . . A 71 LYS H . 11532 1 836 . 1 1 71 71 LYS HA H 1 4.061 0.030 . 1 . . . A 71 LYS HA . 11532 1 837 . 1 1 71 71 LYS HB2 H 1 1.996 0.030 . 2 . . . A 71 LYS HB2 . 11532 1 838 . 1 1 71 71 LYS HB3 H 1 2.155 0.030 . 2 . . . A 71 LYS HB3 . 11532 1 839 . 1 1 71 71 LYS HG2 H 1 1.511 0.030 . 1 . . . A 71 LYS HG2 . 11532 1 840 . 1 1 71 71 LYS HG3 H 1 1.511 0.030 . 1 . . . A 71 LYS HG3 . 11532 1 841 . 1 1 71 71 LYS HD2 H 1 1.830 0.030 . 1 . . . A 71 LYS HD2 . 11532 1 842 . 1 1 71 71 LYS HD3 H 1 1.830 0.030 . 1 . . . A 71 LYS HD3 . 11532 1 843 . 1 1 71 71 LYS C C 13 177.798 0.300 . 1 . . . A 71 LYS C . 11532 1 844 . 1 1 71 71 LYS CA C 13 59.591 0.300 . 1 . . . A 71 LYS CA . 11532 1 845 . 1 1 71 71 LYS CB C 13 32.486 0.300 . 1 . . . A 71 LYS CB . 11532 1 846 . 1 1 71 71 LYS CG C 13 25.150 0.300 . 1 . . . A 71 LYS CG . 11532 1 847 . 1 1 71 71 LYS CD C 13 30.086 0.300 . 1 . . . A 71 LYS CD . 11532 1 848 . 1 1 71 71 LYS CE C 13 42.254 0.300 . 1 . . . A 71 LYS CE . 11532 1 849 . 1 1 71 71 LYS N N 15 120.897 0.300 . 1 . . . A 71 LYS N . 11532 1 850 . 1 1 72 72 ALA H H 1 7.482 0.030 . 1 . . . A 72 ALA H . 11532 1 851 . 1 1 72 72 ALA HA H 1 4.300 0.030 . 1 . . . A 72 ALA HA . 11532 1 852 . 1 1 72 72 ALA HB1 H 1 1.592 0.030 . 1 . . . A 72 ALA HB1 . 11532 1 853 . 1 1 72 72 ALA HB2 H 1 1.592 0.030 . 1 . . . A 72 ALA HB2 . 11532 1 854 . 1 1 72 72 ALA HB3 H 1 1.592 0.030 . 1 . . . A 72 ALA HB3 . 11532 1 855 . 1 1 72 72 ALA C C 13 180.415 0.300 . 1 . . . A 72 ALA C . 11532 1 856 . 1 1 72 72 ALA CA C 13 54.943 0.300 . 1 . . . A 72 ALA CA . 11532 1 857 . 1 1 72 72 ALA CB C 13 17.794 0.300 . 1 . . . A 72 ALA CB . 11532 1 858 . 1 1 72 72 ALA N N 15 120.915 0.300 . 1 . . . A 72 ALA N . 11532 1 859 . 1 1 73 73 ARG H H 1 7.997 0.030 . 1 . . . A 73 ARG H . 11532 1 860 . 1 1 73 73 ARG HA H 1 4.023 0.030 . 1 . . . A 73 ARG HA . 11532 1 861 . 1 1 73 73 ARG HB2 H 1 2.083 0.030 . 2 . . . A 73 ARG HB2 . 11532 1 862 . 1 1 73 73 ARG HB3 H 1 2.535 0.030 . 2 . . . A 73 ARG HB3 . 11532 1 863 . 1 1 73 73 ARG HG2 H 1 1.793 0.030 . 2 . . . A 73 ARG HG2 . 11532 1 864 . 1 1 73 73 ARG HG3 H 1 1.991 0.030 . 2 . . . A 73 ARG HG3 . 11532 1 865 . 1 1 73 73 ARG HD2 H 1 3.198 0.030 . 2 . . . A 73 ARG HD2 . 11532 1 866 . 1 1 73 73 ARG HD3 H 1 3.121 0.030 . 2 . . . A 73 ARG HD3 . 11532 1 867 . 1 1 73 73 ARG HE H 1 7.567 0.030 . 1 . . . A 73 ARG HE . 11532 1 868 . 1 1 73 73 ARG C C 13 178.095 0.300 . 1 . . . A 73 ARG C . 11532 1 869 . 1 1 73 73 ARG CA C 13 59.374 0.300 . 1 . . . A 73 ARG CA . 11532 1 870 . 1 1 73 73 ARG CB C 13 27.478 0.300 . 1 . . . A 73 ARG CB . 11532 1 871 . 1 1 73 73 ARG CG C 13 25.191 0.300 . 1 . . . A 73 ARG CG . 11532 1 872 . 1 1 73 73 ARG CD C 13 42.192 0.300 . 1 . . . A 73 ARG CD . 11532 1 873 . 1 1 73 73 ARG N N 15 121.133 0.300 . 1 . . . A 73 ARG N . 11532 1 874 . 1 1 73 73 ARG NE N 15 83.429 0.300 . 1 . . . A 73 ARG NE . 11532 1 875 . 1 1 74 74 TYR H H 1 8.611 0.030 . 1 . . . A 74 TYR H . 11532 1 876 . 1 1 74 74 TYR HA H 1 3.973 0.030 . 1 . . . A 74 TYR HA . 11532 1 877 . 1 1 74 74 TYR HB2 H 1 3.093 0.030 . 2 . . . A 74 TYR HB2 . 11532 1 878 . 1 1 74 74 TYR HB3 H 1 3.189 0.030 . 2 . . . A 74 TYR HB3 . 11532 1 879 . 1 1 74 74 TYR HD1 H 1 7.222 0.030 . 1 . . . A 74 TYR HD1 . 11532 1 880 . 1 1 74 74 TYR HD2 H 1 7.222 0.030 . 1 . . . A 74 TYR HD2 . 11532 1 881 . 1 1 74 74 TYR HE1 H 1 6.826 0.030 . 1 . . . A 74 TYR HE1 . 11532 1 882 . 1 1 74 74 TYR HE2 H 1 6.826 0.030 . 1 . . . A 74 TYR HE2 . 11532 1 883 . 1 1 74 74 TYR C C 13 176.681 0.300 . 1 . . . A 74 TYR C . 11532 1 884 . 1 1 74 74 TYR CA C 13 62.518 0.300 . 1 . . . A 74 TYR CA . 11532 1 885 . 1 1 74 74 TYR CB C 13 39.210 0.300 . 1 . . . A 74 TYR CB . 11532 1 886 . 1 1 74 74 TYR CD1 C 13 133.527 0.300 . 1 . . . A 74 TYR CD1 . 11532 1 887 . 1 1 74 74 TYR CD2 C 13 133.527 0.300 . 1 . . . A 74 TYR CD2 . 11532 1 888 . 1 1 74 74 TYR CE1 C 13 118.342 0.300 . 1 . . . A 74 TYR CE1 . 11532 1 889 . 1 1 74 74 TYR CE2 C 13 118.342 0.300 . 1 . . . A 74 TYR CE2 . 11532 1 890 . 1 1 74 74 TYR N N 15 122.065 0.300 . 1 . . . A 74 TYR N . 11532 1 891 . 1 1 75 75 GLU H H 1 8.482 0.030 . 1 . . . A 75 GLU H . 11532 1 892 . 1 1 75 75 GLU HA H 1 3.789 0.030 . 1 . . . A 75 GLU HA . 11532 1 893 . 1 1 75 75 GLU HB2 H 1 2.050 0.030 . 2 . . . A 75 GLU HB2 . 11532 1 894 . 1 1 75 75 GLU HB3 H 1 2.166 0.030 . 2 . . . A 75 GLU HB3 . 11532 1 895 . 1 1 75 75 GLU HG2 H 1 2.444 0.030 . 2 . . . A 75 GLU HG2 . 11532 1 896 . 1 1 75 75 GLU HG3 H 1 2.775 0.030 . 2 . . . A 75 GLU HG3 . 11532 1 897 . 1 1 75 75 GLU C C 13 179.550 0.300 . 1 . . . A 75 GLU C . 11532 1 898 . 1 1 75 75 GLU CA C 13 59.442 0.300 . 1 . . . A 75 GLU CA . 11532 1 899 . 1 1 75 75 GLU CB C 13 29.458 0.300 . 1 . . . A 75 GLU CB . 11532 1 900 . 1 1 75 75 GLU CG C 13 37.137 0.300 . 1 . . . A 75 GLU CG . 11532 1 901 . 1 1 75 75 GLU N N 15 117.066 0.300 . 1 . . . A 75 GLU N . 11532 1 902 . 1 1 76 76 ARG H H 1 8.058 0.030 . 1 . . . A 76 ARG H . 11532 1 903 . 1 1 76 76 ARG HA H 1 4.120 0.030 . 1 . . . A 76 ARG HA . 11532 1 904 . 1 1 76 76 ARG HB2 H 1 2.033 0.030 . 2 . . . A 76 ARG HB2 . 11532 1 905 . 1 1 76 76 ARG HB3 H 1 2.165 0.030 . 2 . . . A 76 ARG HB3 . 11532 1 906 . 1 1 76 76 ARG HG2 H 1 1.645 0.030 . 2 . . . A 76 ARG HG2 . 11532 1 907 . 1 1 76 76 ARG HG3 H 1 1.777 0.030 . 2 . . . A 76 ARG HG3 . 11532 1 908 . 1 1 76 76 ARG HD2 H 1 3.304 0.030 . 1 . . . A 76 ARG HD2 . 11532 1 909 . 1 1 76 76 ARG HD3 H 1 3.304 0.030 . 1 . . . A 76 ARG HD3 . 11532 1 910 . 1 1 76 76 ARG HE H 1 7.392 0.030 . 1 . . . A 76 ARG HE . 11532 1 911 . 1 1 76 76 ARG C C 13 179.630 0.300 . 1 . . . A 76 ARG C . 11532 1 912 . 1 1 76 76 ARG CA C 13 59.188 0.300 . 1 . . . A 76 ARG CA . 11532 1 913 . 1 1 76 76 ARG CB C 13 30.017 0.300 . 1 . . . A 76 ARG CB . 11532 1 914 . 1 1 76 76 ARG CG C 13 27.444 0.300 . 1 . . . A 76 ARG CG . 11532 1 915 . 1 1 76 76 ARG CD C 13 43.495 0.300 . 1 . . . A 76 ARG CD . 11532 1 916 . 1 1 76 76 ARG N N 15 119.625 0.300 . 1 . . . A 76 ARG N . 11532 1 917 . 1 1 76 76 ARG NE N 15 83.808 0.300 . 1 . . . A 76 ARG NE . 11532 1 918 . 1 1 77 77 GLU H H 1 8.511 0.030 . 1 . . . A 77 GLU H . 11532 1 919 . 1 1 77 77 GLU HA H 1 4.019 0.030 . 1 . . . A 77 GLU HA . 11532 1 920 . 1 1 77 77 GLU HB2 H 1 1.876 0.030 . 2 . . . A 77 GLU HB2 . 11532 1 921 . 1 1 77 77 GLU HB3 H 1 2.034 0.030 . 2 . . . A 77 GLU HB3 . 11532 1 922 . 1 1 77 77 GLU HG2 H 1 2.186 0.030 . 2 . . . A 77 GLU HG2 . 11532 1 923 . 1 1 77 77 GLU HG3 H 1 2.675 0.030 . 2 . . . A 77 GLU HG3 . 11532 1 924 . 1 1 77 77 GLU C C 13 179.861 0.300 . 1 . . . A 77 GLU C . 11532 1 925 . 1 1 77 77 GLU CA C 13 59.238 0.300 . 1 . . . A 77 GLU CA . 11532 1 926 . 1 1 77 77 GLU CB C 13 29.661 0.300 . 1 . . . A 77 GLU CB . 11532 1 927 . 1 1 77 77 GLU CG C 13 37.645 0.300 . 1 . . . A 77 GLU CG . 11532 1 928 . 1 1 77 77 GLU N N 15 119.978 0.300 . 1 . . . A 77 GLU N . 11532 1 929 . 1 1 78 78 MET H H 1 8.488 0.030 . 1 . . . A 78 MET H . 11532 1 930 . 1 1 78 78 MET HA H 1 4.464 0.030 . 1 . . . A 78 MET HA . 11532 1 931 . 1 1 78 78 MET HB2 H 1 1.883 0.030 . 1 . . . A 78 MET HB2 . 11532 1 932 . 1 1 78 78 MET HB3 H 1 1.883 0.030 . 1 . . . A 78 MET HB3 . 11532 1 933 . 1 1 78 78 MET HG2 H 1 2.390 0.030 . 1 . . . A 78 MET HG2 . 11532 1 934 . 1 1 78 78 MET HG3 H 1 2.390 0.030 . 1 . . . A 78 MET HG3 . 11532 1 935 . 1 1 78 78 MET HE1 H 1 2.046 0.030 . 1 . . . A 78 MET HE1 . 11532 1 936 . 1 1 78 78 MET HE2 H 1 2.046 0.030 . 1 . . . A 78 MET HE2 . 11532 1 937 . 1 1 78 78 MET HE3 H 1 2.046 0.030 . 1 . . . A 78 MET HE3 . 11532 1 938 . 1 1 78 78 MET C C 13 178.767 0.300 . 1 . . . A 78 MET C . 11532 1 939 . 1 1 78 78 MET CA C 13 55.827 0.300 . 1 . . . A 78 MET CA . 11532 1 940 . 1 1 78 78 MET CB C 13 30.352 0.300 . 1 . . . A 78 MET CB . 11532 1 941 . 1 1 78 78 MET CG C 13 32.176 0.300 . 1 . . . A 78 MET CG . 11532 1 942 . 1 1 78 78 MET CE C 13 16.194 0.300 . 1 . . . A 78 MET CE . 11532 1 943 . 1 1 78 78 MET N N 15 117.459 0.300 . 1 . . . A 78 MET N . 11532 1 944 . 1 1 79 79 LYS H H 1 7.534 0.030 . 1 . . . A 79 LYS H . 11532 1 945 . 1 1 79 79 LYS HA H 1 4.196 0.030 . 1 . . . A 79 LYS HA . 11532 1 946 . 1 1 79 79 LYS HB2 H 1 2.009 0.030 . 1 . . . A 79 LYS HB2 . 11532 1 947 . 1 1 79 79 LYS HB3 H 1 2.009 0.030 . 1 . . . A 79 LYS HB3 . 11532 1 948 . 1 1 79 79 LYS HG2 H 1 1.558 0.030 . 1 . . . A 79 LYS HG2 . 11532 1 949 . 1 1 79 79 LYS HG3 H 1 1.558 0.030 . 1 . . . A 79 LYS HG3 . 11532 1 950 . 1 1 79 79 LYS HD2 H 1 1.710 0.030 . 1 . . . A 79 LYS HD2 . 11532 1 951 . 1 1 79 79 LYS HD3 H 1 1.710 0.030 . 1 . . . A 79 LYS HD3 . 11532 1 952 . 1 1 79 79 LYS HE2 H 1 3.023 0.030 . 1 . . . A 79 LYS HE2 . 11532 1 953 . 1 1 79 79 LYS HE3 H 1 3.023 0.030 . 1 . . . A 79 LYS HE3 . 11532 1 954 . 1 1 79 79 LYS C C 13 178.026 0.300 . 1 . . . A 79 LYS C . 11532 1 955 . 1 1 79 79 LYS CA C 13 58.835 0.300 . 1 . . . A 79 LYS CA . 11532 1 956 . 1 1 79 79 LYS CB C 13 32.804 0.300 . 1 . . . A 79 LYS CB . 11532 1 957 . 1 1 79 79 LYS CG C 13 25.399 0.300 . 1 . . . A 79 LYS CG . 11532 1 958 . 1 1 79 79 LYS CD C 13 29.286 0.300 . 1 . . . A 79 LYS CD . 11532 1 959 . 1 1 79 79 LYS CE C 13 42.328 0.300 . 1 . . . A 79 LYS CE . 11532 1 960 . 1 1 79 79 LYS N N 15 118.980 0.300 . 1 . . . A 79 LYS N . 11532 1 961 . 1 1 80 80 THR H H 1 7.325 0.030 . 1 . . . A 80 THR H . 11532 1 962 . 1 1 80 80 THR HA H 1 4.442 0.030 . 1 . . . A 80 THR HA . 11532 1 963 . 1 1 80 80 THR HB H 1 4.473 0.030 . 1 . . . A 80 THR HB . 11532 1 964 . 1 1 80 80 THR HG21 H 1 1.218 0.030 . 1 . . . A 80 THR HG21 . 11532 1 965 . 1 1 80 80 THR HG22 H 1 1.218 0.030 . 1 . . . A 80 THR HG22 . 11532 1 966 . 1 1 80 80 THR HG23 H 1 1.218 0.030 . 1 . . . A 80 THR HG23 . 11532 1 967 . 1 1 80 80 THR C C 13 174.041 0.300 . 1 . . . A 80 THR C . 11532 1 968 . 1 1 80 80 THR CA C 13 61.183 0.300 . 1 . . . A 80 THR CA . 11532 1 969 . 1 1 80 80 THR CB C 13 68.978 0.300 . 1 . . . A 80 THR CB . 11532 1 970 . 1 1 80 80 THR CG2 C 13 21.771 0.300 . 1 . . . A 80 THR CG2 . 11532 1 971 . 1 1 80 80 THR N N 15 106.730 0.300 . 1 . . . A 80 THR N . 11532 1 972 . 1 1 81 81 TYR H H 1 7.483 0.030 . 1 . . . A 81 TYR H . 11532 1 973 . 1 1 81 81 TYR HA H 1 4.551 0.030 . 1 . . . A 81 TYR HA . 11532 1 974 . 1 1 81 81 TYR HB2 H 1 2.955 0.030 . 2 . . . A 81 TYR HB2 . 11532 1 975 . 1 1 81 81 TYR HB3 H 1 3.095 0.030 . 2 . . . A 81 TYR HB3 . 11532 1 976 . 1 1 81 81 TYR HD1 H 1 7.100 0.030 . 1 . . . A 81 TYR HD1 . 11532 1 977 . 1 1 81 81 TYR HD2 H 1 7.100 0.030 . 1 . . . A 81 TYR HD2 . 11532 1 978 . 1 1 81 81 TYR HE1 H 1 6.755 0.030 . 1 . . . A 81 TYR HE1 . 11532 1 979 . 1 1 81 81 TYR HE2 H 1 6.755 0.030 . 1 . . . A 81 TYR HE2 . 11532 1 980 . 1 1 81 81 TYR C C 13 174.416 0.300 . 1 . . . A 81 TYR C . 11532 1 981 . 1 1 81 81 TYR CA C 13 58.468 0.300 . 1 . . . A 81 TYR CA . 11532 1 982 . 1 1 81 81 TYR CB C 13 39.225 0.300 . 1 . . . A 81 TYR CB . 11532 1 983 . 1 1 81 81 TYR CD1 C 13 133.381 0.300 . 1 . . . A 81 TYR CD1 . 11532 1 984 . 1 1 81 81 TYR CD2 C 13 133.381 0.300 . 1 . . . A 81 TYR CD2 . 11532 1 985 . 1 1 81 81 TYR CE1 C 13 117.688 0.300 . 1 . . . A 81 TYR CE1 . 11532 1 986 . 1 1 81 81 TYR CE2 C 13 117.688 0.300 . 1 . . . A 81 TYR CE2 . 11532 1 987 . 1 1 81 81 TYR N N 15 123.927 0.300 . 1 . . . A 81 TYR N . 11532 1 988 . 1 1 82 82 ILE H H 1 7.858 0.030 . 1 . . . A 82 ILE H . 11532 1 989 . 1 1 82 82 ILE HA H 1 4.289 0.030 . 1 . . . A 82 ILE HA . 11532 1 990 . 1 1 82 82 ILE HB H 1 1.666 0.030 . 1 . . . A 82 ILE HB . 11532 1 991 . 1 1 82 82 ILE HG12 H 1 1.035 0.030 . 2 . . . A 82 ILE HG12 . 11532 1 992 . 1 1 82 82 ILE HG13 H 1 1.452 0.030 . 2 . . . A 82 ILE HG13 . 11532 1 993 . 1 1 82 82 ILE HG21 H 1 0.809 0.030 . 1 . . . A 82 ILE HG21 . 11532 1 994 . 1 1 82 82 ILE HG22 H 1 0.809 0.030 . 1 . . . A 82 ILE HG22 . 11532 1 995 . 1 1 82 82 ILE HG23 H 1 0.809 0.030 . 1 . . . A 82 ILE HG23 . 11532 1 996 . 1 1 82 82 ILE HD11 H 1 0.807 0.030 . 1 . . . A 82 ILE HD11 . 11532 1 997 . 1 1 82 82 ILE HD12 H 1 0.807 0.030 . 1 . . . A 82 ILE HD12 . 11532 1 998 . 1 1 82 82 ILE HD13 H 1 0.807 0.030 . 1 . . . A 82 ILE HD13 . 11532 1 999 . 1 1 82 82 ILE C C 13 172.785 0.300 . 1 . . . A 82 ILE C . 11532 1 1000 . 1 1 82 82 ILE CA C 13 57.383 0.300 . 1 . . . A 82 ILE CA . 11532 1 1001 . 1 1 82 82 ILE CB C 13 39.084 0.300 . 1 . . . A 82 ILE CB . 11532 1 1002 . 1 1 82 82 ILE CG1 C 13 26.746 0.300 . 1 . . . A 82 ILE CG1 . 11532 1 1003 . 1 1 82 82 ILE CG2 C 13 16.968 0.300 . 1 . . . A 82 ILE CG2 . 11532 1 1004 . 1 1 82 82 ILE CD1 C 13 12.599 0.300 . 1 . . . A 82 ILE CD1 . 11532 1 1005 . 1 1 82 82 ILE N N 15 129.884 0.300 . 1 . . . A 82 ILE N . 11532 1 1006 . 1 1 83 83 PRO HA H 1 4.412 0.030 . 1 . . . A 83 PRO HA . 11532 1 1007 . 1 1 83 83 PRO HB2 H 1 2.355 0.030 . 2 . . . A 83 PRO HB2 . 11532 1 1008 . 1 1 83 83 PRO HB3 H 1 1.894 0.030 . 2 . . . A 83 PRO HB3 . 11532 1 1009 . 1 1 83 83 PRO HG2 H 1 1.988 0.030 . 1 . . . A 83 PRO HG2 . 11532 1 1010 . 1 1 83 83 PRO HG3 H 1 1.988 0.030 . 1 . . . A 83 PRO HG3 . 11532 1 1011 . 1 1 83 83 PRO HD2 H 1 3.500 0.030 . 2 . . . A 83 PRO HD2 . 11532 1 1012 . 1 1 83 83 PRO HD3 H 1 3.578 0.030 . 2 . . . A 83 PRO HD3 . 11532 1 1013 . 1 1 83 83 PRO CA C 13 61.050 0.300 . 1 . . . A 83 PRO CA . 11532 1 1014 . 1 1 83 83 PRO CB C 13 30.959 0.300 . 1 . . . A 83 PRO CB . 11532 1 1015 . 1 1 83 83 PRO CG C 13 27.233 0.300 . 1 . . . A 83 PRO CG . 11532 1 1016 . 1 1 83 83 PRO CD C 13 50.716 0.300 . 1 . . . A 83 PRO CD . 11532 1 1017 . 1 1 84 84 PRO HA H 1 4.416 0.030 . 1 . . . A 84 PRO HA . 11532 1 1018 . 1 1 84 84 PRO HB2 H 1 2.319 0.030 . 2 . . . A 84 PRO HB2 . 11532 1 1019 . 1 1 84 84 PRO HB3 H 1 1.897 0.030 . 2 . . . A 84 PRO HB3 . 11532 1 1020 . 1 1 84 84 PRO HG2 H 1 2.052 0.030 . 1 . . . A 84 PRO HG2 . 11532 1 1021 . 1 1 84 84 PRO HG3 H 1 2.052 0.030 . 1 . . . A 84 PRO HG3 . 11532 1 1022 . 1 1 84 84 PRO HD2 H 1 3.648 0.030 . 2 . . . A 84 PRO HD2 . 11532 1 1023 . 1 1 84 84 PRO HD3 H 1 3.900 0.030 . 2 . . . A 84 PRO HD3 . 11532 1 1024 . 1 1 84 84 PRO C C 13 176.887 0.300 . 1 . . . A 84 PRO C . 11532 1 1025 . 1 1 84 84 PRO CA C 13 62.727 0.300 . 1 . . . A 84 PRO CA . 11532 1 1026 . 1 1 84 84 PRO CB C 13 32.230 0.300 . 1 . . . A 84 PRO CB . 11532 1 1027 . 1 1 84 84 PRO CG C 13 27.687 0.300 . 1 . . . A 84 PRO CG . 11532 1 1028 . 1 1 84 84 PRO CD C 13 50.651 0.300 . 1 . . . A 84 PRO CD . 11532 1 1029 . 1 1 85 85 LYS H H 1 8.450 0.030 . 1 . . . A 85 LYS H . 11532 1 1030 . 1 1 85 85 LYS HA H 1 4.270 0.030 . 1 . . . A 85 LYS HA . 11532 1 1031 . 1 1 85 85 LYS HB2 H 1 1.827 0.030 . 1 . . . A 85 LYS HB2 . 11532 1 1032 . 1 1 85 85 LYS HB3 H 1 1.827 0.030 . 1 . . . A 85 LYS HB3 . 11532 1 1033 . 1 1 85 85 LYS HG3 H 1 1.445 0.030 . 2 . . . A 85 LYS HG3 . 11532 1 1034 . 1 1 85 85 LYS C C 13 177.248 0.300 . 1 . . . A 85 LYS C . 11532 1 1035 . 1 1 85 85 LYS CA C 13 56.716 0.300 . 1 . . . A 85 LYS CA . 11532 1 1036 . 1 1 85 85 LYS CB C 13 33.086 0.300 . 1 . . . A 85 LYS CB . 11532 1 1037 . 1 1 85 85 LYS CG C 13 25.083 0.300 . 1 . . . A 85 LYS CG . 11532 1 1038 . 1 1 85 85 LYS CD C 13 29.146 0.300 . 1 . . . A 85 LYS CD . 11532 1 1039 . 1 1 85 85 LYS CE C 13 42.154 0.300 . 1 . . . A 85 LYS CE . 11532 1 1040 . 1 1 85 85 LYS N N 15 121.989 0.300 . 1 . . . A 85 LYS N . 11532 1 1041 . 1 1 86 86 GLY H H 1 8.506 0.030 . 1 . . . A 86 GLY H . 11532 1 1042 . 1 1 86 86 GLY HA2 H 1 3.967 0.030 . 1 . . . A 86 GLY HA2 . 11532 1 1043 . 1 1 86 86 GLY HA3 H 1 3.967 0.030 . 1 . . . A 86 GLY HA3 . 11532 1 1044 . 1 1 86 86 GLY C C 13 173.215 0.300 . 1 . . . A 86 GLY C . 11532 1 1045 . 1 1 86 86 GLY CA C 13 45.249 0.300 . 1 . . . A 86 GLY CA . 11532 1 1046 . 1 1 86 86 GLY N N 15 111.200 0.300 . 1 . . . A 86 GLY N . 11532 1 1047 . 1 1 87 87 GLU H H 1 7.929 0.030 . 1 . . . A 87 GLU H . 11532 1 1048 . 1 1 87 87 GLU HA H 1 4.173 0.030 . 1 . . . A 87 GLU HA . 11532 1 1049 . 1 1 87 87 GLU HB2 H 1 1.888 0.030 . 2 . . . A 87 GLU HB2 . 11532 1 1050 . 1 1 87 87 GLU HB3 H 1 2.096 0.030 . 2 . . . A 87 GLU HB3 . 11532 1 1051 . 1 1 87 87 GLU HG2 H 1 2.205 0.030 . 2 . . . A 87 GLU HG2 . 11532 1 1052 . 1 1 87 87 GLU HG3 H 1 2.205 0.030 . 2 . . . A 87 GLU HG3 . 11532 1 1053 . 1 1 87 87 GLU C C 13 181.172 0.300 . 1 . . . A 87 GLU C . 11532 1 1054 . 1 1 87 87 GLU CA C 13 57.931 0.300 . 1 . . . A 87 GLU CA . 11532 1 1055 . 1 1 87 87 GLU CB C 13 31.168 0.300 . 1 . . . A 87 GLU CB . 11532 1 1056 . 1 1 87 87 GLU CG C 13 36.760 0.300 . 1 . . . A 87 GLU CG . 11532 1 1057 . 1 1 87 87 GLU N N 15 125.669 0.300 . 1 . . . A 87 GLU N . 11532 1 stop_ save_