data_18709 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18709 _Entry.Title ; HMGB1-facilitated p53 DNA binding occurs via HMG-box/p53 transactivation domain interaction and is regulated by the acidic tail ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-12 _Entry.Accession_date 2012-09-12 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 John Rowell . P. . 18709 2 Kathryn Simpson . L. . 18709 3 Katherine Stott . . . 18709 4 Matthew Watson . . . 18709 5 Jean Thomas . O. . 18709 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' . 18709 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HMG . 18709 p53 . 18709 TAD . 18709 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18709 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 749 18709 '15N chemical shifts' 159 18709 '1H chemical shifts' 1172 18709 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 2 . . 2013-02-18 2012-09-12 update BMRB 'update entry citation' 18709 1 . . 2012-10-29 2012-09-12 original author 'original release' 18709 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LY4 'BMRB Entry Tracking System' 18709 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18709 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23063560 _Citation.Full_citation . _Citation.Title 'HMGB1-facilitated p53 DNA binding occurs via HMG-Box/p53 transactivation domain interaction, regulated by the acidic tail.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 20 _Citation.Journal_issue 12 _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 2014 _Citation.Page_last 2024 _Citation.Year 2012 _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 John Rowell . P. . 18709 1 2 Kathryn Simpson . L. . 18709 1 3 Katherine Stott . . . 18709 1 4 Matthew Watson . . . 18709 1 5 Jean Thomas . O. . 18709 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18709 _Assembly.ID 1 _Assembly.Name HMG-box/p53 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 abox 1 $entity_1 A . yes native no no . . . 18709 1 2 p53 2 $entity_2 B . yes native no no . . . 18709 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 18709 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GKGDPKKPRGKMSSYAFFVQ TCREEHKKKHPDASVNFSEF SKKCSERWKTMSAKEKGKFE DMAKADKARYEREMKTYIPP KGE ; _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 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9705.259 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11147 . "HMG box domain" . . . . . 100.00 173 100.00 100.00 1.07e-50 . . . . 18709 1 2 no BMRB 11532 . entity . . . . . 100.00 87 100.00 100.00 1.33e-51 . . . . 18709 1 3 no BMRB 15148 . HMGB1_ABbtail . . . . . 100.00 187 100.00 100.00 8.07e-51 . . . . 18709 1 4 no BMRB 15149 . HMGB1_Full_Length . . . . . 100.00 214 100.00 100.00 6.30e-51 . . . . 18709 1 5 no BMRB 15502 . HMGB1 . . . . . 100.00 214 100.00 100.00 6.30e-51 . . . . 18709 1 6 no BMRB 4079 . "A-domain of HMG1" . . . . . 100.00 83 98.80 98.80 1.71e-50 . . . . 18709 1 7 no PDB 1AAB . "Nmr Structure Of Rat Hmg1 Hmga Fragment" . . . . . 100.00 83 98.80 98.80 1.71e-50 . . . . 18709 1 8 no PDB 1CKT . "Crystal Structure Of Hmg1 Domain A Bound To A Cisplatin-modified Dna Duplex" . . . . . 85.54 71 100.00 100.00 3.02e-42 . . . . 18709 1 9 no PDB 2LY4 . "Hmgb1-Facilitated P53 Dna Binding Occurs Via Hmg-BoxP53 Transactivation Domain Interaction And Is Regulated By The Acidic Tail" . . . . . 100.00 83 100.00 100.00 1.15e-51 . . . . 18709 1 10 no PDB 2RTU . "Solution Structure Of Oxidized Human Hmgb1 A Box" . . . . . 100.00 87 100.00 100.00 1.33e-51 . . . . 18709 1 11 no PDB 2YRQ . "Solution Structure Of The Tandem Hmg Box Domain From Human High Mobility Group Protein B1" . . . . . 100.00 173 100.00 100.00 1.07e-50 . . . . 18709 1 12 no PDB 4QR9 . "Crystal Structure Of Two Hmgb1 Box A Domains Cooperating To Underwind And Kink A Dna" . . . . . 89.16 76 100.00 100.00 4.79e-45 . . . . 18709 1 13 no DBJ BAA09924 . "HMG-1 [Homo sapiens]" . . . . . 100.00 215 98.80 98.80 1.70e-49 . . . . 18709 1 14 no DBJ BAC29902 . "unnamed protein product [Mus musculus]" . . . . . 100.00 215 100.00 100.00 7.46e-51 . . . . 18709 1 15 no DBJ BAC34367 . "unnamed protein product [Mus musculus]" . . . . . 100.00 178 100.00 100.00 8.85e-51 . . . . 18709 1 16 no DBJ BAC34773 . "unnamed protein product [Mus musculus]" . . . . . 100.00 215 100.00 100.00 6.34e-51 . . . . 18709 1 17 no DBJ BAC38678 . "unnamed protein product [Mus musculus]" . . . . . 100.00 181 100.00 100.00 9.06e-51 . . . . 18709 1 18 no EMBL CAA31110 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 215 100.00 100.00 7.46e-51 . . . . 18709 1 19 no EMBL CAA31284 . "unnamed protein product [Bos taurus]" . . . . . 100.00 215 100.00 100.00 7.54e-51 . . . . 18709 1 20 no EMBL CAA56631 . "high mobility group protein [Mus musculus]" . . . . . 100.00 215 100.00 100.00 7.54e-51 . . . . 18709 1 21 no EMBL CAA68441 . "high mobility group protein [Cricetulus griseus]" . . . . . 59.04 180 100.00 100.00 3.73e-24 . . . . 18709 1 22 no EMBL CAA68526 . "unnamed protein product [Rattus norvegicus]" . . . . . 100.00 215 100.00 100.00 7.46e-51 . . . . 18709 1 23 no GB AAA20508 . "HMG-1 [Mus musculus]" . . . . . 100.00 215 100.00 100.00 7.46e-51 . . . . 18709 1 24 no GB AAA31050 . "non-histone protein HMG1 [Sus scrofa]" . . . . . 100.00 215 100.00 100.00 9.67e-51 . . . . 18709 1 25 no GB AAA40729 . "Amphoterin [Rattus norvegicus]" . . . . . 100.00 215 100.00 100.00 7.46e-51 . . . . 18709 1 26 no GB AAA57042 . "high mobility group 1 protein [Mus musculus]" . . . . . 100.00 215 100.00 100.00 7.79e-51 . . . . 18709 1 27 no GB AAA64970 . "HMG-1 [Homo sapiens]" . . . . . 100.00 216 98.80 98.80 5.26e-50 . . . . 18709 1 28 no PIR S29857 . "nonhistone chromosomal protein HMG-1 - human" . . . . . 100.00 216 98.80 98.80 5.26e-50 . . . . 18709 1 29 no REF NP_001002937 . "high mobility group protein B1 [Canis lupus familiaris]" . . . . . 100.00 215 100.00 100.00 7.46e-51 . . . . 18709 1 30 no REF NP_001004034 . "high mobility group protein B1 [Sus scrofa]" . . . . . 100.00 215 100.00 100.00 9.67e-51 . . . . 18709 1 31 no REF NP_001075304 . "high mobility group protein B1 [Equus caballus]" . . . . . 100.00 215 100.00 100.00 7.46e-51 . . . . 18709 1 32 no REF NP_001102843 . "high mobility group box 1 like [Rattus norvegicus]" . . . . . 100.00 214 100.00 100.00 8.62e-51 . . . . 18709 1 33 no REF NP_001162380 . "high mobility group protein B1 [Papio anubis]" . . . . . 100.00 215 100.00 100.00 7.46e-51 . . . . 18709 1 34 no SP A9RA84 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 100.00 215 100.00 100.00 7.46e-51 . . . . 18709 1 35 no SP B0CM99 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 100.00 215 100.00 100.00 7.46e-51 . . . . 18709 1 36 no SP B1MTB0 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 100.00 215 100.00 100.00 7.46e-51 . . . . 18709 1 37 no SP P07156 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 59.04 180 100.00 100.00 3.73e-24 . . . . 18709 1 38 no SP P09429 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 100.00 215 100.00 100.00 7.46e-51 . . . . 18709 1 39 no TPG DAA21468 . "TPA: high-mobility group box 1-like [Bos taurus]" . . . . . 100.00 215 97.59 97.59 1.32e-49 . . . . 18709 1 40 no TPG DAA23902 . "TPA: high mobility group protein B1 [Bos taurus]" . . . . . 100.00 215 100.00 100.00 7.54e-51 . . . . 18709 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 18709 1 2 . LYS . 18709 1 3 . GLY . 18709 1 4 . ASP . 18709 1 5 . PRO . 18709 1 6 . LYS . 18709 1 7 . LYS . 18709 1 8 . PRO . 18709 1 9 . ARG . 18709 1 10 . GLY . 18709 1 11 . LYS . 18709 1 12 . MET . 18709 1 13 . SER . 18709 1 14 . SER . 18709 1 15 . TYR . 18709 1 16 . ALA . 18709 1 17 . PHE . 18709 1 18 . PHE . 18709 1 19 . VAL . 18709 1 20 . GLN . 18709 1 21 . THR . 18709 1 22 . CYS . 18709 1 23 . ARG . 18709 1 24 . GLU . 18709 1 25 . GLU . 18709 1 26 . HIS . 18709 1 27 . LYS . 18709 1 28 . LYS . 18709 1 29 . LYS . 18709 1 30 . HIS . 18709 1 31 . PRO . 18709 1 32 . ASP . 18709 1 33 . ALA . 18709 1 34 . SER . 18709 1 35 . VAL . 18709 1 36 . ASN . 18709 1 37 . PHE . 18709 1 38 . SER . 18709 1 39 . GLU . 18709 1 40 . PHE . 18709 1 41 . SER . 18709 1 42 . LYS . 18709 1 43 . LYS . 18709 1 44 . CYS . 18709 1 45 . SER . 18709 1 46 . GLU . 18709 1 47 . ARG . 18709 1 48 . TRP . 18709 1 49 . LYS . 18709 1 50 . THR . 18709 1 51 . MET . 18709 1 52 . SER . 18709 1 53 . ALA . 18709 1 54 . LYS . 18709 1 55 . GLU . 18709 1 56 . LYS . 18709 1 57 . GLY . 18709 1 58 . LYS . 18709 1 59 . PHE . 18709 1 60 . GLU . 18709 1 61 . ASP . 18709 1 62 . MET . 18709 1 63 . ALA . 18709 1 64 . LYS . 18709 1 65 . ALA . 18709 1 66 . ASP . 18709 1 67 . LYS . 18709 1 68 . ALA . 18709 1 69 . ARG . 18709 1 70 . TYR . 18709 1 71 . GLU . 18709 1 72 . ARG . 18709 1 73 . GLU . 18709 1 74 . MET . 18709 1 75 . LYS . 18709 1 76 . THR . 18709 1 77 . TYR . 18709 1 78 . ILE . 18709 1 79 . PRO . 18709 1 80 . PRO . 18709 1 81 . LYS . 18709 1 82 . GLY . 18709 1 83 . GLU . 18709 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 18709 1 . LYS 2 2 18709 1 . GLY 3 3 18709 1 . ASP 4 4 18709 1 . PRO 5 5 18709 1 . LYS 6 6 18709 1 . LYS 7 7 18709 1 . PRO 8 8 18709 1 . ARG 9 9 18709 1 . GLY 10 10 18709 1 . LYS 11 11 18709 1 . MET 12 12 18709 1 . SER 13 13 18709 1 . SER 14 14 18709 1 . TYR 15 15 18709 1 . ALA 16 16 18709 1 . PHE 17 17 18709 1 . PHE 18 18 18709 1 . VAL 19 19 18709 1 . GLN 20 20 18709 1 . THR 21 21 18709 1 . CYS 22 22 18709 1 . ARG 23 23 18709 1 . GLU 24 24 18709 1 . GLU 25 25 18709 1 . HIS 26 26 18709 1 . LYS 27 27 18709 1 . LYS 28 28 18709 1 . LYS 29 29 18709 1 . HIS 30 30 18709 1 . PRO 31 31 18709 1 . ASP 32 32 18709 1 . ALA 33 33 18709 1 . SER 34 34 18709 1 . VAL 35 35 18709 1 . ASN 36 36 18709 1 . PHE 37 37 18709 1 . SER 38 38 18709 1 . GLU 39 39 18709 1 . PHE 40 40 18709 1 . SER 41 41 18709 1 . LYS 42 42 18709 1 . LYS 43 43 18709 1 . CYS 44 44 18709 1 . SER 45 45 18709 1 . GLU 46 46 18709 1 . ARG 47 47 18709 1 . TRP 48 48 18709 1 . LYS 49 49 18709 1 . THR 50 50 18709 1 . MET 51 51 18709 1 . SER 52 52 18709 1 . ALA 53 53 18709 1 . LYS 54 54 18709 1 . GLU 55 55 18709 1 . LYS 56 56 18709 1 . GLY 57 57 18709 1 . LYS 58 58 18709 1 . PHE 59 59 18709 1 . GLU 60 60 18709 1 . ASP 61 61 18709 1 . MET 62 62 18709 1 . ALA 63 63 18709 1 . LYS 64 64 18709 1 . ALA 65 65 18709 1 . ASP 66 66 18709 1 . LYS 67 67 18709 1 . ALA 68 68 18709 1 . ARG 69 69 18709 1 . TYR 70 70 18709 1 . GLU 71 71 18709 1 . ARG 72 72 18709 1 . GLU 73 73 18709 1 . MET 74 74 18709 1 . LYS 75 75 18709 1 . THR 76 76 18709 1 . TYR 77 77 18709 1 . ILE 78 78 18709 1 . PRO 79 79 18709 1 . PRO 80 80 18709 1 . LYS 81 81 18709 1 . GLY 82 82 18709 1 . GLU 83 83 18709 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 18709 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEEPQSDPSVEPPLSQETFS DLWKLLPENNVLSPLPSQAM DDLMLSPDDIEQWFTEDPGP DEAPRMPEAAPPVAPAPAAP TPAAPAPAPSWPL ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9979.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 17073 . TAD . . . . . 52.69 49 100.00 100.00 2.11e-24 . . . . 18709 2 2 no BMRB 17760 . p53_TAD . . . . . 100.00 93 100.00 100.00 8.64e-53 . . . . 18709 2 3 no PDB 2GS0 . "Nmr Structure Of The Complex Between The Ph Domain Of The Tfb1 Subunit From Tfiih And The Activation Domain Of P53" . . . . . 58.06 54 100.00 100.00 2.23e-27 . . . . 18709 2 4 no PDB 2L14 . "Structure Of Cbp Nuclear Coactivator Binding Domain In Complex With P53 Tad" . . . . . 52.69 49 100.00 100.00 2.11e-24 . . . . 18709 2 5 no PDB 2LY4 . "Hmgb1-Facilitated P53 Dna Binding Occurs Via Hmg-BoxP53 Transactivation Domain Interaction And Is Regulated By The Acidic Tail" . . . . . 100.00 93 100.00 100.00 8.64e-53 . . . . 18709 2 6 no DBJ BAC16799 . "P53 [Homo sapiens]" . . . . . 100.00 393 98.92 98.92 1.92e-53 . . . . 18709 2 7 no DBJ BAG35463 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 393 98.92 98.92 2.58e-53 . . . . 18709 2 8 no DBJ BAG64357 . "unnamed protein product [Homo sapiens]" . . . . . 58.06 197 98.15 98.15 2.64e-25 . . . . 18709 2 9 no DBJ BAI45431 . "tumor protein p53 [synthetic construct]" . . . . . 100.00 393 98.92 98.92 2.58e-53 . . . . 18709 2 10 no DBJ BAJ52715 . "tumor suppressor gene p53 [Homo sapiens]" . . . . . 100.00 393 98.92 98.92 2.45e-53 . . . . 18709 2 11 no EMBL CAA26306 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 393 100.00 100.00 3.84e-54 . . . . 18709 2 12 no EMBL CAA38095 . "protein p53 [Homo sapiens]" . . . . . 100.00 393 98.92 98.92 2.58e-53 . . . . 18709 2 13 no EMBL CAA42625 . "p53 transformation suppressor [Homo sapiens]" . . . . . 100.00 245 98.92 98.92 1.17e-52 . . . . 18709 2 14 no EMBL CAA42626 . "p53 transformation suppressor [Homo sapiens]" . . . . . 100.00 393 98.92 98.92 2.61e-53 . . . . 18709 2 15 no EMBL CAA42627 . "p53 transformation suppressor [Homo sapiens]" . . . . . 100.00 393 98.92 98.92 2.58e-53 . . . . 18709 2 16 no GB AAA59987 . "phosphoprotein p53 [Homo sapiens]" . . . . . 100.00 393 97.85 97.85 6.31e-53 . . . . 18709 2 17 no GB AAA59988 . "phosphoprotein p53 [Homo sapiens]" . . . . . 100.00 393 100.00 100.00 3.84e-54 . . . . 18709 2 18 no GB AAA59989 . "p53 cellular tumor antigen [Homo sapiens]" . . . . . 100.00 393 100.00 100.00 3.76e-54 . . . . 18709 2 19 no GB AAA61211 . "p53 antigen [Homo sapiens]" . . . . . 100.00 393 97.85 97.85 7.72e-53 . . . . 18709 2 20 no GB AAA61212 . "p53 antigen [Homo sapiens]" . . . . . 100.00 393 98.92 98.92 1.44e-53 . . . . 18709 2 21 no REF NP_000537 . "cellular tumor antigen p53 isoform a [Homo sapiens]" . . . . . 100.00 393 100.00 100.00 3.84e-54 . . . . 18709 2 22 no REF NP_001119584 . "cellular tumor antigen p53 isoform a [Homo sapiens]" . . . . . 100.00 393 100.00 100.00 3.84e-54 . . . . 18709 2 23 no REF NP_001119585 . "cellular tumor antigen p53 isoform c [Homo sapiens]" . . . . . 100.00 346 100.00 100.00 8.69e-54 . . . . 18709 2 24 no REF NP_001119586 . "cellular tumor antigen p53 isoform b [Homo sapiens]" . . . . . 100.00 341 100.00 100.00 4.66e-54 . . . . 18709 2 25 no REF NP_001119590 . "cellular tumor antigen p53 isoform g [Homo sapiens]" . . . . . 58.06 354 100.00 100.00 1.76e-26 . . . . 18709 2 26 no SP P04637 . "RecName: Full=Cellular tumor antigen p53; AltName: Full=Antigen NY-CO-13; AltName: Full=Phosphoprotein p53; AltName: Full=Tumor" . . . . . 100.00 393 100.00 100.00 3.84e-54 . . . . 18709 2 27 no SP Q9TTA1 . "RecName: Full=Cellular tumor antigen p53; AltName: Full=Tumor suppressor p53 [Tupaia belangeri]" . . . . . 100.00 393 100.00 100.00 2.51e-54 . . . . 18709 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18709 2 2 . GLU . 18709 2 3 . GLU . 18709 2 4 . PRO . 18709 2 5 . GLN . 18709 2 6 . SER . 18709 2 7 . ASP . 18709 2 8 . PRO . 18709 2 9 . SER . 18709 2 10 . VAL . 18709 2 11 . GLU . 18709 2 12 . PRO . 18709 2 13 . PRO . 18709 2 14 . LEU . 18709 2 15 . SER . 18709 2 16 . GLN . 18709 2 17 . GLU . 18709 2 18 . THR . 18709 2 19 . PHE . 18709 2 20 . SER . 18709 2 21 . ASP . 18709 2 22 . LEU . 18709 2 23 . TRP . 18709 2 24 . LYS . 18709 2 25 . LEU . 18709 2 26 . LEU . 18709 2 27 . PRO . 18709 2 28 . GLU . 18709 2 29 . ASN . 18709 2 30 . ASN . 18709 2 31 . VAL . 18709 2 32 . LEU . 18709 2 33 . SER . 18709 2 34 . PRO . 18709 2 35 . LEU . 18709 2 36 . PRO . 18709 2 37 . SER . 18709 2 38 . GLN . 18709 2 39 . ALA . 18709 2 40 . MET . 18709 2 41 . ASP . 18709 2 42 . ASP . 18709 2 43 . LEU . 18709 2 44 . MET . 18709 2 45 . LEU . 18709 2 46 . SER . 18709 2 47 . PRO . 18709 2 48 . ASP . 18709 2 49 . ASP . 18709 2 50 . ILE . 18709 2 51 . GLU . 18709 2 52 . GLN . 18709 2 53 . TRP . 18709 2 54 . PHE . 18709 2 55 . THR . 18709 2 56 . GLU . 18709 2 57 . ASP . 18709 2 58 . PRO . 18709 2 59 . GLY . 18709 2 60 . PRO . 18709 2 61 . ASP . 18709 2 62 . GLU . 18709 2 63 . ALA . 18709 2 64 . PRO . 18709 2 65 . ARG . 18709 2 66 . MET . 18709 2 67 . PRO . 18709 2 68 . GLU . 18709 2 69 . ALA . 18709 2 70 . ALA . 18709 2 71 . PRO . 18709 2 72 . PRO . 18709 2 73 . VAL . 18709 2 74 . ALA . 18709 2 75 . PRO . 18709 2 76 . ALA . 18709 2 77 . PRO . 18709 2 78 . ALA . 18709 2 79 . ALA . 18709 2 80 . PRO . 18709 2 81 . THR . 18709 2 82 . PRO . 18709 2 83 . ALA . 18709 2 84 . ALA . 18709 2 85 . PRO . 18709 2 86 . ALA . 18709 2 87 . PRO . 18709 2 88 . ALA . 18709 2 89 . PRO . 18709 2 90 . SER . 18709 2 91 . TRP . 18709 2 92 . PRO . 18709 2 93 . LEU . 18709 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18709 2 . GLU 2 2 18709 2 . GLU 3 3 18709 2 . PRO 4 4 18709 2 . GLN 5 5 18709 2 . SER 6 6 18709 2 . ASP 7 7 18709 2 . PRO 8 8 18709 2 . SER 9 9 18709 2 . VAL 10 10 18709 2 . GLU 11 11 18709 2 . PRO 12 12 18709 2 . PRO 13 13 18709 2 . LEU 14 14 18709 2 . SER 15 15 18709 2 . GLN 16 16 18709 2 . GLU 17 17 18709 2 . THR 18 18 18709 2 . PHE 19 19 18709 2 . SER 20 20 18709 2 . ASP 21 21 18709 2 . LEU 22 22 18709 2 . TRP 23 23 18709 2 . LYS 24 24 18709 2 . LEU 25 25 18709 2 . LEU 26 26 18709 2 . PRO 27 27 18709 2 . GLU 28 28 18709 2 . ASN 29 29 18709 2 . ASN 30 30 18709 2 . VAL 31 31 18709 2 . LEU 32 32 18709 2 . SER 33 33 18709 2 . PRO 34 34 18709 2 . LEU 35 35 18709 2 . PRO 36 36 18709 2 . SER 37 37 18709 2 . GLN 38 38 18709 2 . ALA 39 39 18709 2 . MET 40 40 18709 2 . ASP 41 41 18709 2 . ASP 42 42 18709 2 . LEU 43 43 18709 2 . MET 44 44 18709 2 . LEU 45 45 18709 2 . SER 46 46 18709 2 . PRO 47 47 18709 2 . ASP 48 48 18709 2 . ASP 49 49 18709 2 . ILE 50 50 18709 2 . GLU 51 51 18709 2 . GLN 52 52 18709 2 . TRP 53 53 18709 2 . PHE 54 54 18709 2 . THR 55 55 18709 2 . GLU 56 56 18709 2 . ASP 57 57 18709 2 . PRO 58 58 18709 2 . GLY 59 59 18709 2 . PRO 60 60 18709 2 . ASP 61 61 18709 2 . GLU 62 62 18709 2 . ALA 63 63 18709 2 . PRO 64 64 18709 2 . ARG 65 65 18709 2 . MET 66 66 18709 2 . PRO 67 67 18709 2 . GLU 68 68 18709 2 . ALA 69 69 18709 2 . ALA 70 70 18709 2 . PRO 71 71 18709 2 . PRO 72 72 18709 2 . VAL 73 73 18709 2 . ALA 74 74 18709 2 . PRO 75 75 18709 2 . ALA 76 76 18709 2 . PRO 77 77 18709 2 . ALA 78 78 18709 2 . ALA 79 79 18709 2 . PRO 80 80 18709 2 . THR 81 81 18709 2 . PRO 82 82 18709 2 . ALA 83 83 18709 2 . ALA 84 84 18709 2 . PRO 85 85 18709 2 . ALA 86 86 18709 2 . PRO 87 87 18709 2 . ALA 88 88 18709 2 . PRO 89 89 18709 2 . SER 90 90 18709 2 . TRP 91 91 18709 2 . PRO 92 92 18709 2 . LEU 93 93 18709 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18709 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18709 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18709 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 18709 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pT7-7 HMG1-A' . . . . . . 18709 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET16b-p53(1-93) . . . . . . 18709 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18709 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 'natural abundance' . . 1 $entity_1 . . . 0.1 1 mM . . . . 18709 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . . 0.1 1 mM . . . . 18709 1 3 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18709 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18709 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18709 1 6 PMSF 'natural abundance' . . . . . . 0.5 . . mM . . . . 18709 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18709 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18709 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18709 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 18709 1 pH 7.0 . pH 18709 1 pressure 1 . atm 18709 1 temperature 298 . K 18709 1 stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 18709 _Software.ID 1 _Software.Name AZARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 18709 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18709 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18709 _Software.ID 2 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18709 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18709 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 18709 _Software.ID 3 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18709 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18709 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18709 _Software.ID 4 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18709 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18709 4 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 18709 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18709 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 18709 _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 DRX . 800 . . . 18709 1 2 spectrometer_2 Bruker DRX . 500 . . . 18709 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 18709 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18709 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18709 1 3 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18709 1 4 '3D 1H-13C NOESY, X-filteref' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18709 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18709 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18709 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18709 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18709 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18709 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18709 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18709 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18709 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 18709 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18709 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18709 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18709 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 18709 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18709 1 2 '2D 1H-13C HSQC' . . . 18709 1 3 '3D 1H-13C NOESY' . . . 18709 1 4 '3D 1H-13C NOESY, X-filteref' . . . 18709 1 5 '3D HNCA' . . . 18709 1 6 '3D HN(CO)CA' . . . 18709 1 7 '3D HBHA(CO)NH' . . . 18709 1 8 '3D HNCO' . . . 18709 1 9 '3D C(CO)NH' . . . 18709 1 10 '3D HCCH-TOCSY' . . . 18709 1 11 '3D 1H-15N TOCSY' . . . 18709 1 12 '3D 1H-15N NOESY' . . . 18709 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 LYS H H 1 8.346 0.000 . 1 . . . A 2 LYS H . 18709 1 2 . 1 1 2 2 LYS HA H 1 4.291 0.005 . 1 . . . A 2 LYS HA . 18709 1 3 . 1 1 2 2 LYS HB2 H 1 1.804 0.004 . 1 . . . A 2 LYS HB2 . 18709 1 4 . 1 1 2 2 LYS HB3 H 1 1.800 0.000 . 1 . . . A 2 LYS HB3 . 18709 1 5 . 1 1 2 2 LYS HG2 H 1 1.453 0.000 . 1 . . . A 2 LYS HG2 . 18709 1 6 . 1 1 2 2 LYS HG3 H 1 1.477 0.000 . 2 . . . A 2 LYS HG3 . 18709 1 7 . 1 1 2 2 LYS HD2 H 1 1.652 0.000 . 1 . . . A 2 LYS HD2 . 18709 1 8 . 1 1 2 2 LYS C C 13 178.301 0.000 . 1 . . . A 2 LYS C . 18709 1 9 . 1 1 2 2 LYS CA C 13 57.039 0.011 . 1 . . . A 2 LYS CA . 18709 1 10 . 1 1 2 2 LYS CB C 13 32.936 0.016 . 1 . . . A 2 LYS CB . 18709 1 11 . 1 1 2 2 LYS CG C 13 24.721 0.037 . 1 . . . A 2 LYS CG . 18709 1 12 . 1 1 2 2 LYS CD C 13 29.379 0.037 . 1 . . . A 2 LYS CD . 18709 1 13 . 1 1 2 2 LYS N N 15 119.832 0.000 . 1 . . . A 2 LYS N . 18709 1 14 . 1 1 3 3 GLY H H 1 8.651 0.002 . 1 . . . A 3 GLY H . 18709 1 15 . 1 1 3 3 GLY HA2 H 1 3.935 0.000 . 1 . . . A 3 GLY HA2 . 18709 1 16 . 1 1 3 3 GLY HA3 H 1 3.935 0.000 . 1 . . . A 3 GLY HA3 . 18709 1 17 . 1 1 3 3 GLY C C 13 174.723 0.000 . 1 . . . A 3 GLY C . 18709 1 18 . 1 1 3 3 GLY CA C 13 44.945 0.034 . 1 . . . A 3 GLY CA . 18709 1 19 . 1 1 3 3 GLY N N 15 110.425 0.021 . 1 . . . A 3 GLY N . 18709 1 20 . 1 1 4 4 ASP H H 1 8.144 0.003 . 1 . . . A 4 ASP H . 18709 1 21 . 1 1 4 4 ASP HA H 1 4.881 0.004 . 1 . . . A 4 ASP HA . 18709 1 22 . 1 1 4 4 ASP HB2 H 1 2.615 0.000 . 2 . . . A 4 ASP HB2 . 18709 1 23 . 1 1 4 4 ASP HB3 H 1 2.764 0.000 . 2 . . . A 4 ASP HB3 . 18709 1 24 . 1 1 4 4 ASP CA C 13 52.310 0.058 . 1 . . . A 4 ASP CA . 18709 1 25 . 1 1 4 4 ASP CB C 13 41.108 0.000 . 1 . . . A 4 ASP CB . 18709 1 26 . 1 1 4 4 ASP N N 15 121.097 0.018 . 1 . . . A 4 ASP N . 18709 1 27 . 1 1 5 5 PRO HA H 1 4.457 0.005 . 1 . . . A 5 PRO HA . 18709 1 28 . 1 1 5 5 PRO HB2 H 1 2.044 0.014 . 2 . . . A 5 PRO HB2 . 18709 1 29 . 1 1 5 5 PRO HB3 H 1 2.358 0.002 . 2 . . . A 5 PRO HB3 . 18709 1 30 . 1 1 5 5 PRO HG2 H 1 2.025 0.000 . 1 . . . A 5 PRO HG2 . 18709 1 31 . 1 1 5 5 PRO HG3 H 1 2.025 0.000 . 1 . . . A 5 PRO HG3 . 18709 1 32 . 1 1 5 5 PRO HD2 H 1 3.864 0.000 . 2 . . . A 5 PRO HD2 . 18709 1 33 . 1 1 5 5 PRO HD3 H 1 3.881 0.000 . 1 . . . A 5 PRO HD3 . 18709 1 34 . 1 1 5 5 PRO C C 13 178.183 0.000 . 1 . . . A 5 PRO C . 18709 1 35 . 1 1 5 5 PRO CA C 13 63.501 0.028 . 1 . . . A 5 PRO CA . 18709 1 36 . 1 1 5 5 PRO CB C 13 32.172 0.127 . 1 . . . A 5 PRO CB . 18709 1 37 . 1 1 5 5 PRO CG C 13 27.256 0.012 . 1 . . . A 5 PRO CG . 18709 1 38 . 1 1 5 5 PRO CD C 13 50.781 0.076 . 1 . . . A 5 PRO CD . 18709 1 39 . 1 1 6 6 LYS H H 1 8.351 0.003 . 1 . . . A 6 LYS H . 18709 1 40 . 1 1 6 6 LYS HA H 1 4.280 0.006 . 1 . . . A 6 LYS HA . 18709 1 41 . 1 1 6 6 LYS HB2 H 1 1.796 0.000 . 2 . . . A 6 LYS HB2 . 18709 1 42 . 1 1 6 6 LYS HB3 H 1 1.862 0.012 . 2 . . . A 6 LYS HB3 . 18709 1 43 . 1 1 6 6 LYS HG2 H 1 1.441 0.000 . 1 . . . A 6 LYS HG2 . 18709 1 44 . 1 1 6 6 LYS HG3 H 1 1.441 0.000 . 1 . . . A 6 LYS HG3 . 18709 1 45 . 1 1 6 6 LYS HD2 H 1 1.671 0.000 . 1 . . . A 6 LYS HD2 . 18709 1 46 . 1 1 6 6 LYS HD3 H 1 1.671 0.000 . 1 . . . A 6 LYS HD3 . 18709 1 47 . 1 1 6 6 LYS HE2 H 1 3.025 0.000 . 1 . . . A 6 LYS HE2 . 18709 1 48 . 1 1 6 6 LYS HE3 H 1 3.025 0.000 . 1 . . . A 6 LYS HE3 . 18709 1 49 . 1 1 6 6 LYS C C 13 177.086 0.000 . 1 . . . A 6 LYS C . 18709 1 50 . 1 1 6 6 LYS CA C 13 55.802 0.013 . 1 . . . A 6 LYS CA . 18709 1 51 . 1 1 6 6 LYS CB C 13 32.733 0.034 . 1 . . . A 6 LYS CB . 18709 1 52 . 1 1 6 6 LYS CG C 13 24.970 0.015 . 1 . . . A 6 LYS CG . 18709 1 53 . 1 1 6 6 LYS CD C 13 29.077 0.049 . 1 . . . A 6 LYS CD . 18709 1 54 . 1 1 6 6 LYS CE C 13 42.177 0.000 . 1 . . . A 6 LYS CE . 18709 1 55 . 1 1 6 6 LYS N N 15 119.845 0.033 . 1 . . . A 6 LYS N . 18709 1 56 . 1 1 7 7 LYS H H 1 7.906 0.004 . 1 . . . A 7 LYS H . 18709 1 57 . 1 1 7 7 LYS HA H 1 3.857 0.003 . 1 . . . A 7 LYS HA . 18709 1 58 . 1 1 7 7 LYS HB2 H 1 1.581 0.001 . 2 . . . A 7 LYS HB2 . 18709 1 59 . 1 1 7 7 LYS HB3 H 1 1.671 0.007 . 2 . . . A 7 LYS HB3 . 18709 1 60 . 1 1 7 7 LYS HG2 H 1 1.057 0.000 . 2 . . . A 7 LYS HG2 . 18709 1 61 . 1 1 7 7 LYS HG3 H 1 1.336 0.000 . 2 . . . A 7 LYS HG3 . 18709 1 62 . 1 1 7 7 LYS HD2 H 1 1.647 0.000 . 1 . . . A 7 LYS HD2 . 18709 1 63 . 1 1 7 7 LYS HD3 H 1 1.647 0.000 . 1 . . . A 7 LYS HD3 . 18709 1 64 . 1 1 7 7 LYS HE2 H 1 2.994 0.000 . 1 . . . A 7 LYS HE2 . 18709 1 65 . 1 1 7 7 LYS HE3 H 1 2.994 0.000 . 1 . . . A 7 LYS HE3 . 18709 1 66 . 1 1 7 7 LYS CA C 13 54.542 0.019 . 1 . . . A 7 LYS CA . 18709 1 67 . 1 1 7 7 LYS CB C 13 32.960 0.064 . 1 . . . A 7 LYS CB . 18709 1 68 . 1 1 7 7 LYS CG C 13 24.214 0.009 . 1 . . . A 7 LYS CG . 18709 1 69 . 1 1 7 7 LYS CD C 13 29.414 0.000 . 1 . . . A 7 LYS CD . 18709 1 70 . 1 1 7 7 LYS CE C 13 41.952 0.000 . 1 . . . A 7 LYS CE . 18709 1 71 . 1 1 7 7 LYS N N 15 123.314 0.042 . 1 . . . A 7 LYS N . 18709 1 72 . 1 1 8 8 PRO HA H 1 4.237 0.007 . 1 . . . A 8 PRO HA . 18709 1 73 . 1 1 8 8 PRO HB2 H 1 1.526 0.012 . 2 . . . A 8 PRO HB2 . 18709 1 74 . 1 1 8 8 PRO HB3 H 1 2.390 0.000 . 2 . . . A 8 PRO HB3 . 18709 1 75 . 1 1 8 8 PRO HG2 H 1 1.539 0.000 . 2 . . . A 8 PRO HG2 . 18709 1 76 . 1 1 8 8 PRO HG3 H 1 1.625 0.000 . 2 . . . A 8 PRO HG3 . 18709 1 77 . 1 1 8 8 PRO HD2 H 1 2.926 0.000 . 2 . . . A 8 PRO HD2 . 18709 1 78 . 1 1 8 8 PRO HD3 H 1 3.322 0.000 . 2 . . . A 8 PRO HD3 . 18709 1 79 . 1 1 8 8 PRO C C 13 177.256 0.000 . 1 . . . A 8 PRO C . 18709 1 80 . 1 1 8 8 PRO CA C 13 62.899 0.089 . 1 . . . A 8 PRO CA . 18709 1 81 . 1 1 8 8 PRO CB C 13 31.806 0.018 . 1 . . . A 8 PRO CB . 18709 1 82 . 1 1 8 8 PRO CG C 13 27.975 0.011 . 1 . . . A 8 PRO CG . 18709 1 83 . 1 1 8 8 PRO CD C 13 50.756 0.022 . 1 . . . A 8 PRO CD . 18709 1 84 . 1 1 9 9 ARG H H 1 8.914 0.003 . 1 . . . A 9 ARG H . 18709 1 85 . 1 1 9 9 ARG HA H 1 4.127 0.000 . 1 . . . A 9 ARG HA . 18709 1 86 . 1 1 9 9 ARG HB2 H 1 1.763 0.000 . 1 . . . A 9 ARG HB2 . 18709 1 87 . 1 1 9 9 ARG HB3 H 1 1.763 0.000 . 1 . . . A 9 ARG HB3 . 18709 1 88 . 1 1 9 9 ARG HG2 H 1 1.675 0.000 . 2 . . . A 9 ARG HG2 . 18709 1 89 . 1 1 9 9 ARG HG3 H 1 1.928 0.000 . 2 . . . A 9 ARG HG3 . 18709 1 90 . 1 1 9 9 ARG HD2 H 1 3.146 0.000 . 2 . . . A 9 ARG HD2 . 18709 1 91 . 1 1 9 9 ARG HD3 H 1 3.206 0.000 . 2 . . . A 9 ARG HD3 . 18709 1 92 . 1 1 9 9 ARG C C 13 178.935 0.000 . 1 . . . A 9 ARG C . 18709 1 93 . 1 1 9 9 ARG CA C 13 56.593 0.020 . 1 . . . A 9 ARG CA . 18709 1 94 . 1 1 9 9 ARG CB C 13 30.292 0.003 . 1 . . . A 9 ARG CB . 18709 1 95 . 1 1 9 9 ARG CG C 13 26.917 0.004 . 1 . . . A 9 ARG CG . 18709 1 96 . 1 1 9 9 ARG CD C 13 43.086 0.008 . 1 . . . A 9 ARG CD . 18709 1 97 . 1 1 9 9 ARG N N 15 124.175 0.021 . 1 . . . A 9 ARG N . 18709 1 98 . 1 1 10 10 GLY H H 1 8.621 0.002 . 1 . . . A 10 GLY H . 18709 1 99 . 1 1 10 10 GLY HA2 H 1 3.643 0.004 . 2 . . . A 10 GLY HA2 . 18709 1 100 . 1 1 10 10 GLY HA3 H 1 3.889 0.006 . 2 . . . A 10 GLY HA3 . 18709 1 101 . 1 1 10 10 GLY C C 13 174.366 0.000 . 1 . . . A 10 GLY C . 18709 1 102 . 1 1 10 10 GLY CA C 13 45.288 0.058 . 1 . . . A 10 GLY CA . 18709 1 103 . 1 1 10 10 GLY N N 15 110.777 0.030 . 1 . . . A 10 GLY N . 18709 1 104 . 1 1 11 11 LYS H H 1 7.628 0.005 . 1 . . . A 11 LYS H . 18709 1 105 . 1 1 11 11 LYS HA H 1 4.083 0.003 . 1 . . . A 11 LYS HA . 18709 1 106 . 1 1 11 11 LYS HB2 H 1 1.543 0.000 . 1 . . . A 11 LYS HB2 . 18709 1 107 . 1 1 11 11 LYS HB3 H 1 1.534 0.008 . 1 . . . A 11 LYS HB3 . 18709 1 108 . 1 1 11 11 LYS HG2 H 1 0.858 0.000 . 2 . . . A 11 LYS HG2 . 18709 1 109 . 1 1 11 11 LYS HG3 H 1 1.178 0.000 . 2 . . . A 11 LYS HG3 . 18709 1 110 . 1 1 11 11 LYS HD2 H 1 1.490 0.000 . 1 . . . A 11 LYS HD2 . 18709 1 111 . 1 1 11 11 LYS HE2 H 1 2.554 0.000 . 2 . . . A 11 LYS HE2 . 18709 1 112 . 1 1 11 11 LYS HE3 H 1 2.792 0.000 . 2 . . . A 11 LYS HE3 . 18709 1 113 . 1 1 11 11 LYS C C 13 177.975 0.000 . 1 . . . A 11 LYS C . 18709 1 114 . 1 1 11 11 LYS CA C 13 56.427 0.042 . 1 . . . A 11 LYS CA . 18709 1 115 . 1 1 11 11 LYS CB C 13 32.051 0.038 . 1 . . . A 11 LYS CB . 18709 1 116 . 1 1 11 11 LYS CG C 13 24.393 0.050 . 1 . . . A 11 LYS CG . 18709 1 117 . 1 1 11 11 LYS CD C 13 29.398 0.002 . 1 . . . A 11 LYS CD . 18709 1 118 . 1 1 11 11 LYS CE C 13 41.558 0.010 . 1 . . . A 11 LYS CE . 18709 1 119 . 1 1 11 11 LYS N N 15 119.463 0.053 . 1 . . . A 11 LYS N . 18709 1 120 . 1 1 12 12 MET H H 1 8.969 0.005 . 1 . . . A 12 MET H . 18709 1 121 . 1 1 12 12 MET HA H 1 4.389 0.007 . 1 . . . A 12 MET HA . 18709 1 122 . 1 1 12 12 MET HB2 H 1 1.385 0.009 . 2 . . . A 12 MET HB2 . 18709 1 123 . 1 1 12 12 MET HB3 H 1 1.559 0.014 . 2 . . . A 12 MET HB3 . 18709 1 124 . 1 1 12 12 MET HG2 H 1 2.015 0.000 . 2 . . . A 12 MET HG2 . 18709 1 125 . 1 1 12 12 MET HG3 H 1 2.146 0.001 . 2 . . . A 12 MET HG3 . 18709 1 126 . 1 1 12 12 MET HE1 H 1 1.192 0.000 . 1 . . . A 12 MET HE1 . 18709 1 127 . 1 1 12 12 MET HE2 H 1 1.192 0.000 . 1 . . . A 12 MET HE2 . 18709 1 128 . 1 1 12 12 MET HE3 H 1 1.192 0.000 . 1 . . . A 12 MET HE3 . 18709 1 129 . 1 1 12 12 MET C C 13 176.746 0.000 . 1 . . . A 12 MET C . 18709 1 130 . 1 1 12 12 MET CA C 13 54.936 0.023 . 1 . . . A 12 MET CA . 18709 1 131 . 1 1 12 12 MET CB C 13 35.098 0.021 . 1 . . . A 12 MET CB . 18709 1 132 . 1 1 12 12 MET CG C 13 31.961 0.057 . 1 . . . A 12 MET CG . 18709 1 133 . 1 1 12 12 MET CE C 13 15.511 0.007 . 1 . . . A 12 MET CE . 18709 1 134 . 1 1 12 12 MET N N 15 124.112 0.026 . 1 . . . A 12 MET N . 18709 1 135 . 1 1 13 13 SER H H 1 8.150 0.003 . 1 . . . A 13 SER H . 18709 1 136 . 1 1 13 13 SER HA H 1 4.616 0.006 . 1 . . . A 13 SER HA . 18709 1 137 . 1 1 13 13 SER HB2 H 1 4.081 0.001 . 2 . . . A 13 SER HB2 . 18709 1 138 . 1 1 13 13 SER HB3 H 1 4.511 0.000 . 2 . . . A 13 SER HB3 . 18709 1 139 . 1 1 13 13 SER C C 13 175.799 0.000 . 1 . . . A 13 SER C . 18709 1 140 . 1 1 13 13 SER CA C 13 57.056 0.048 . 1 . . . A 13 SER CA . 18709 1 141 . 1 1 13 13 SER CB C 13 65.745 0.023 . 1 . . . A 13 SER CB . 18709 1 142 . 1 1 13 13 SER N N 15 118.524 0.015 . 1 . . . A 13 SER N . 18709 1 143 . 1 1 14 14 SER H H 1 9.294 0.002 . 1 . . . A 14 SER H . 18709 1 144 . 1 1 14 14 SER HA H 1 4.386 0.002 . 1 . . . A 14 SER HA . 18709 1 145 . 1 1 14 14 SER HB2 H 1 4.126 0.002 . 2 . . . A 14 SER HB2 . 18709 1 146 . 1 1 14 14 SER HB3 H 1 4.156 0.000 . 2 . . . A 14 SER HB3 . 18709 1 147 . 1 1 14 14 SER C C 13 177.317 0.000 . 1 . . . A 14 SER C . 18709 1 148 . 1 1 14 14 SER CA C 13 61.412 0.029 . 1 . . . A 14 SER CA . 18709 1 149 . 1 1 14 14 SER CB C 13 62.444 0.064 . 1 . . . A 14 SER CB . 18709 1 150 . 1 1 14 14 SER N N 15 115.999 0.026 . 1 . . . A 14 SER N . 18709 1 151 . 1 1 15 15 TYR H H 1 7.913 0.003 . 1 . . . A 15 TYR H . 18709 1 152 . 1 1 15 15 TYR HA H 1 2.886 0.010 . 1 . . . A 15 TYR HA . 18709 1 153 . 1 1 15 15 TYR HB2 H 1 2.344 0.004 . 2 . . . A 15 TYR HB2 . 18709 1 154 . 1 1 15 15 TYR HB3 H 1 2.371 0.019 . 2 . . . A 15 TYR HB3 . 18709 1 155 . 1 1 15 15 TYR HD1 H 1 5.811 0.001 . 3 . . . A 15 TYR HD1 . 18709 1 156 . 1 1 15 15 TYR HD2 H 1 5.811 0.001 . 3 . . . A 15 TYR HD2 . 18709 1 157 . 1 1 15 15 TYR HE1 H 1 6.349 0.001 . 3 . . . A 15 TYR HE1 . 18709 1 158 . 1 1 15 15 TYR HE2 H 1 6.349 0.001 . 3 . . . A 15 TYR HE2 . 18709 1 159 . 1 1 15 15 TYR C C 13 177.310 0.000 . 1 . . . A 15 TYR C . 18709 1 160 . 1 1 15 15 TYR CA C 13 60.365 0.009 . 1 . . . A 15 TYR CA . 18709 1 161 . 1 1 15 15 TYR CB C 13 38.088 0.067 . 1 . . . A 15 TYR CB . 18709 1 162 . 1 1 15 15 TYR CD1 C 13 132.386 0.002 . 3 . . . A 15 TYR CD1 . 18709 1 163 . 1 1 15 15 TYR CD2 C 13 132.386 0.002 . 3 . . . A 15 TYR CD2 . 18709 1 164 . 1 1 15 15 TYR CE1 C 13 117.394 0.004 . 3 . . . A 15 TYR CE1 . 18709 1 165 . 1 1 15 15 TYR CE2 C 13 117.394 0.004 . 3 . . . A 15 TYR CE2 . 18709 1 166 . 1 1 15 15 TYR N N 15 121.512 0.014 . 1 . . . A 15 TYR N . 18709 1 167 . 1 1 16 16 ALA H H 1 7.879 0.005 . 1 . . . A 16 ALA H . 18709 1 168 . 1 1 16 16 ALA HA H 1 3.602 0.004 . 1 . . . A 16 ALA HA . 18709 1 169 . 1 1 16 16 ALA HB1 H 1 1.327 0.006 . 1 . . . A 16 ALA HB1 . 18709 1 170 . 1 1 16 16 ALA HB2 H 1 1.327 0.006 . 1 . . . A 16 ALA HB2 . 18709 1 171 . 1 1 16 16 ALA HB3 H 1 1.327 0.006 . 1 . . . A 16 ALA HB3 . 18709 1 172 . 1 1 16 16 ALA C C 13 182.068 0.000 . 1 . . . A 16 ALA C . 18709 1 173 . 1 1 16 16 ALA CA C 13 55.388 0.020 . 1 . . . A 16 ALA CA . 18709 1 174 . 1 1 16 16 ALA CB C 13 18.171 0.055 . 1 . . . A 16 ALA CB . 18709 1 175 . 1 1 16 16 ALA N N 15 121.554 0.061 . 1 . . . A 16 ALA N . 18709 1 176 . 1 1 17 17 PHE H H 1 8.219 0.004 . 1 . . . A 17 PHE H . 18709 1 177 . 1 1 17 17 PHE HA H 1 4.147 0.009 . 1 . . . A 17 PHE HA . 18709 1 178 . 1 1 17 17 PHE HB2 H 1 3.372 0.006 . 2 . . . A 17 PHE HB2 . 18709 1 179 . 1 1 17 17 PHE HB3 H 1 3.644 0.007 . 2 . . . A 17 PHE HB3 . 18709 1 180 . 1 1 17 17 PHE HD1 H 1 7.604 0.000 . 3 . . . A 17 PHE HD1 . 18709 1 181 . 1 1 17 17 PHE HD2 H 1 7.604 0.000 . 3 . . . A 17 PHE HD2 . 18709 1 182 . 1 1 17 17 PHE HE1 H 1 7.328 0.000 . 3 . . . A 17 PHE HE1 . 18709 1 183 . 1 1 17 17 PHE HE2 H 1 7.328 0.000 . 3 . . . A 17 PHE HE2 . 18709 1 184 . 1 1 17 17 PHE HZ H 1 7.106 0.000 . 1 . . . A 17 PHE HZ . 18709 1 185 . 1 1 17 17 PHE C C 13 180.287 0.000 . 1 . . . A 17 PHE C . 18709 1 186 . 1 1 17 17 PHE CA C 13 63.688 0.059 . 1 . . . A 17 PHE CA . 18709 1 187 . 1 1 17 17 PHE CB C 13 39.751 0.026 . 1 . . . A 17 PHE CB . 18709 1 188 . 1 1 17 17 PHE CD1 C 13 132.077 0.010 . 3 . . . A 17 PHE CD1 . 18709 1 189 . 1 1 17 17 PHE CD2 C 13 132.077 0.010 . 3 . . . A 17 PHE CD2 . 18709 1 190 . 1 1 17 17 PHE CE1 C 13 132.085 0.001 . 3 . . . A 17 PHE CE1 . 18709 1 191 . 1 1 17 17 PHE CE2 C 13 132.085 0.001 . 3 . . . A 17 PHE CE2 . 18709 1 192 . 1 1 17 17 PHE CZ C 13 129.330 0.000 . 1 . . . A 17 PHE CZ . 18709 1 193 . 1 1 17 17 PHE N N 15 116.486 0.007 . 1 . . . A 17 PHE N . 18709 1 194 . 1 1 18 18 PHE H H 1 8.079 0.008 . 1 . . . A 18 PHE H . 18709 1 195 . 1 1 18 18 PHE HA H 1 3.728 0.000 . 1 . . . A 18 PHE HA . 18709 1 196 . 1 1 18 18 PHE HB2 H 1 2.113 0.000 . 2 . . . A 18 PHE HB2 . 18709 1 197 . 1 1 18 18 PHE HB3 H 1 2.609 0.000 . 2 . . . A 18 PHE HB3 . 18709 1 198 . 1 1 18 18 PHE HD1 H 1 6.437 0.002 . 3 . . . A 18 PHE HD1 . 18709 1 199 . 1 1 18 18 PHE HD2 H 1 6.437 0.002 . 3 . . . A 18 PHE HD2 . 18709 1 200 . 1 1 18 18 PHE HE1 H 1 7.393 0.000 . 3 . . . A 18 PHE HE1 . 18709 1 201 . 1 1 18 18 PHE HE2 H 1 7.393 0.000 . 3 . . . A 18 PHE HE2 . 18709 1 202 . 1 1 18 18 PHE HZ H 1 7.110 0.001 . 1 . . . A 18 PHE HZ . 18709 1 203 . 1 1 18 18 PHE C C 13 178.450 0.000 . 1 . . . A 18 PHE C . 18709 1 204 . 1 1 18 18 PHE CA C 13 60.944 0.002 . 1 . . . A 18 PHE CA . 18709 1 205 . 1 1 18 18 PHE CB C 13 38.501 0.041 . 1 . . . A 18 PHE CB . 18709 1 206 . 1 1 18 18 PHE CD1 C 13 132.069 0.000 . 3 . . . A 18 PHE CD1 . 18709 1 207 . 1 1 18 18 PHE CD2 C 13 132.069 0.000 . 3 . . . A 18 PHE CD2 . 18709 1 208 . 1 1 18 18 PHE CE1 C 13 131.238 0.000 . 3 . . . A 18 PHE CE1 . 18709 1 209 . 1 1 18 18 PHE CE2 C 13 131.238 0.000 . 3 . . . A 18 PHE CE2 . 18709 1 210 . 1 1 18 18 PHE CZ C 13 129.810 0.001 . 1 . . . A 18 PHE CZ . 18709 1 211 . 1 1 18 18 PHE N N 15 124.588 0.051 . 1 . . . A 18 PHE N . 18709 1 212 . 1 1 19 19 VAL H H 1 8.536 0.006 . 1 . . . A 19 VAL H . 18709 1 213 . 1 1 19 19 VAL HA H 1 2.999 0.000 . 1 . . . A 19 VAL HA . 18709 1 214 . 1 1 19 19 VAL HB H 1 1.758 0.001 . 1 . . . A 19 VAL HB . 18709 1 215 . 1 1 19 19 VAL HG11 H 1 0.286 0.003 . 2 . . . A 19 VAL HG11 . 18709 1 216 . 1 1 19 19 VAL HG12 H 1 0.286 0.003 . 2 . . . A 19 VAL HG12 . 18709 1 217 . 1 1 19 19 VAL HG13 H 1 0.286 0.003 . 2 . . . A 19 VAL HG13 . 18709 1 218 . 1 1 19 19 VAL HG21 H 1 0.816 0.001 . 2 . . . A 19 VAL HG21 . 18709 1 219 . 1 1 19 19 VAL HG22 H 1 0.816 0.001 . 2 . . . A 19 VAL HG22 . 18709 1 220 . 1 1 19 19 VAL HG23 H 1 0.816 0.001 . 2 . . . A 19 VAL HG23 . 18709 1 221 . 1 1 19 19 VAL C C 13 179.235 0.000 . 1 . . . A 19 VAL C . 18709 1 222 . 1 1 19 19 VAL CA C 13 67.155 0.017 . 1 . . . A 19 VAL CA . 18709 1 223 . 1 1 19 19 VAL CB C 13 31.265 0.075 . 1 . . . A 19 VAL CB . 18709 1 224 . 1 1 19 19 VAL CG1 C 13 22.850 0.002 . 2 . . . A 19 VAL CG1 . 18709 1 225 . 1 1 19 19 VAL CG2 C 13 21.414 0.008 . 2 . . . A 19 VAL CG2 . 18709 1 226 . 1 1 19 19 VAL N N 15 122.571 0.034 . 1 . . . A 19 VAL N . 18709 1 227 . 1 1 20 20 GLN H H 1 8.130 0.006 . 1 . . . A 20 GLN H . 18709 1 228 . 1 1 20 20 GLN HA H 1 3.864 0.012 . 1 . . . A 20 GLN HA . 18709 1 229 . 1 1 20 20 GLN HB2 H 1 2.065 0.007 . 1 . . . A 20 GLN HB2 . 18709 1 230 . 1 1 20 20 GLN HB3 H 1 2.065 0.007 . 1 . . . A 20 GLN HB3 . 18709 1 231 . 1 1 20 20 GLN HG2 H 1 2.276 0.013 . 1 . . . A 20 GLN HG2 . 18709 1 232 . 1 1 20 20 GLN HG3 H 1 2.276 0.013 . 1 . . . A 20 GLN HG3 . 18709 1 233 . 1 1 20 20 GLN HE21 H 1 6.667 0.000 . 1 . . . A 20 GLN HE21 . 18709 1 234 . 1 1 20 20 GLN HE22 H 1 7.597 0.000 . 1 . . . A 20 GLN HE22 . 18709 1 235 . 1 1 20 20 GLN C C 13 179.608 0.000 . 1 . . . A 20 GLN C . 18709 1 236 . 1 1 20 20 GLN CA C 13 59.599 0.098 . 1 . . . A 20 GLN CA . 18709 1 237 . 1 1 20 20 GLN CB C 13 28.988 0.030 . 1 . . . A 20 GLN CB . 18709 1 238 . 1 1 20 20 GLN CG C 13 33.775 0.026 . 1 . . . A 20 GLN CG . 18709 1 239 . 1 1 20 20 GLN N N 15 118.387 0.046 . 1 . . . A 20 GLN N . 18709 1 240 . 1 1 20 20 GLN NE2 N 15 110.554 0.002 . 1 . . . A 20 GLN NE2 . 18709 1 241 . 1 1 21 21 THR H H 1 8.150 0.005 . 1 . . . A 21 THR H . 18709 1 242 . 1 1 21 21 THR HA H 1 4.132 0.000 . 1 . . . A 21 THR HA . 18709 1 243 . 1 1 21 21 THR HB H 1 4.534 0.000 . 1 . . . A 21 THR HB . 18709 1 244 . 1 1 21 21 THR HG21 H 1 1.550 0.000 . 1 . . . A 21 THR HG21 . 18709 1 245 . 1 1 21 21 THR HG22 H 1 1.550 0.000 . 1 . . . A 21 THR HG22 . 18709 1 246 . 1 1 21 21 THR HG23 H 1 1.550 0.000 . 1 . . . A 21 THR HG23 . 18709 1 247 . 1 1 21 21 THR C C 13 178.154 0.000 . 1 . . . A 21 THR C . 18709 1 248 . 1 1 21 21 THR CA C 13 67.176 0.035 . 1 . . . A 21 THR CA . 18709 1 249 . 1 1 21 21 THR CB C 13 68.901 0.005 . 1 . . . A 21 THR CB . 18709 1 250 . 1 1 21 21 THR CG2 C 13 21.377 0.064 . 1 . . . A 21 THR CG2 . 18709 1 251 . 1 1 21 21 THR N N 15 116.315 0.036 . 1 . . . A 21 THR N . 18709 1 252 . 1 1 22 22 CYS H H 1 8.361 0.008 . 1 . . . A 22 CYS H . 18709 1 253 . 1 1 22 22 CYS HA H 1 4.118 0.007 . 1 . . . A 22 CYS HA . 18709 1 254 . 1 1 22 22 CYS HB2 H 1 2.493 0.006 . 2 . . . A 22 CYS HB2 . 18709 1 255 . 1 1 22 22 CYS HB3 H 1 2.953 0.012 . 2 . . . A 22 CYS HB3 . 18709 1 256 . 1 1 22 22 CYS C C 13 179.499 0.000 . 1 . . . A 22 CYS C . 18709 1 257 . 1 1 22 22 CYS CA C 13 63.859 0.098 . 1 . . . A 22 CYS CA . 18709 1 258 . 1 1 22 22 CYS CB C 13 27.007 0.067 . 1 . . . A 22 CYS CB . 18709 1 259 . 1 1 22 22 CYS N N 15 120.604 0.040 . 1 . . . A 22 CYS N . 18709 1 260 . 1 1 23 23 ARG H H 1 8.883 0.002 . 1 . . . A 23 ARG H . 18709 1 261 . 1 1 23 23 ARG HA H 1 3.756 0.000 . 1 . . . A 23 ARG HA . 18709 1 262 . 1 1 23 23 ARG HB2 H 1 1.750 0.001 . 2 . . . A 23 ARG HB2 . 18709 1 263 . 1 1 23 23 ARG HB3 H 1 1.959 0.000 . 2 . . . A 23 ARG HB3 . 18709 1 264 . 1 1 23 23 ARG HG2 H 1 1.297 0.000 . 2 . . . A 23 ARG HG2 . 18709 1 265 . 1 1 23 23 ARG HG3 H 1 1.390 0.000 . 2 . . . A 23 ARG HG3 . 18709 1 266 . 1 1 23 23 ARG HD2 H 1 2.652 0.000 . 2 . . . A 23 ARG HD2 . 18709 1 267 . 1 1 23 23 ARG HD3 H 1 2.736 0.001 . 2 . . . A 23 ARG HD3 . 18709 1 268 . 1 1 23 23 ARG C C 13 179.433 0.000 . 1 . . . A 23 ARG C . 18709 1 269 . 1 1 23 23 ARG CA C 13 59.667 0.011 . 1 . . . A 23 ARG CA . 18709 1 270 . 1 1 23 23 ARG CB C 13 29.637 0.034 . 1 . . . A 23 ARG CB . 18709 1 271 . 1 1 23 23 ARG CG C 13 27.337 0.015 . 1 . . . A 23 ARG CG . 18709 1 272 . 1 1 23 23 ARG CD C 13 42.985 0.010 . 1 . . . A 23 ARG CD . 18709 1 273 . 1 1 23 23 ARG N N 15 122.556 0.027 . 1 . . . A 23 ARG N . 18709 1 274 . 1 1 24 24 GLU H H 1 8.160 0.005 . 1 . . . A 24 GLU H . 18709 1 275 . 1 1 24 24 GLU HA H 1 4.041 0.000 . 1 . . . A 24 GLU HA . 18709 1 276 . 1 1 24 24 GLU HB2 H 1 2.146 0.000 . 2 . . . A 24 GLU HB2 . 18709 1 277 . 1 1 24 24 GLU HB3 H 1 2.254 0.001 . 2 . . . A 24 GLU HB3 . 18709 1 278 . 1 1 24 24 GLU HG2 H 1 2.334 0.000 . 2 . . . A 24 GLU HG2 . 18709 1 279 . 1 1 24 24 GLU HG3 H 1 2.470 0.000 . 2 . . . A 24 GLU HG3 . 18709 1 280 . 1 1 24 24 GLU C C 13 180.566 0.000 . 1 . . . A 24 GLU C . 18709 1 281 . 1 1 24 24 GLU CA C 13 59.396 0.000 . 1 . . . A 24 GLU CA . 18709 1 282 . 1 1 24 24 GLU CB C 13 29.272 0.012 . 1 . . . A 24 GLU CB . 18709 1 283 . 1 1 24 24 GLU CG C 13 36.288 0.004 . 1 . . . A 24 GLU CG . 18709 1 284 . 1 1 24 24 GLU N N 15 120.155 0.034 . 1 . . . A 24 GLU N . 18709 1 285 . 1 1 25 25 GLU H H 1 8.262 0.004 . 1 . . . A 25 GLU H . 18709 1 286 . 1 1 25 25 GLU HA H 1 4.058 0.000 . 1 . . . A 25 GLU HA . 18709 1 287 . 1 1 25 25 GLU HB2 H 1 2.139 0.000 . 2 . . . A 25 GLU HB2 . 18709 1 288 . 1 1 25 25 GLU HB3 H 1 2.219 0.000 . 2 . . . A 25 GLU HB3 . 18709 1 289 . 1 1 25 25 GLU HG2 H 1 2.333 0.000 . 2 . . . A 25 GLU HG2 . 18709 1 290 . 1 1 25 25 GLU HG3 H 1 2.471 0.000 . 2 . . . A 25 GLU HG3 . 18709 1 291 . 1 1 25 25 GLU C C 13 180.029 0.000 . 1 . . . A 25 GLU C . 18709 1 292 . 1 1 25 25 GLU CA C 13 59.291 0.000 . 1 . . . A 25 GLU CA . 18709 1 293 . 1 1 25 25 GLU CB C 13 29.647 0.066 . 1 . . . A 25 GLU CB . 18709 1 294 . 1 1 25 25 GLU CG C 13 36.303 0.002 . 1 . . . A 25 GLU CG . 18709 1 295 . 1 1 25 25 GLU N N 15 119.304 0.029 . 1 . . . A 25 GLU N . 18709 1 296 . 1 1 26 26 HIS H H 1 8.234 0.005 . 1 . . . A 26 HIS H . 18709 1 297 . 1 1 26 26 HIS HA H 1 4.228 0.004 . 1 . . . A 26 HIS HA . 18709 1 298 . 1 1 26 26 HIS HB2 H 1 3.161 0.004 . 2 . . . A 26 HIS HB2 . 18709 1 299 . 1 1 26 26 HIS HB3 H 1 3.277 0.003 . 2 . . . A 26 HIS HB3 . 18709 1 300 . 1 1 26 26 HIS HD2 H 1 6.865 0.000 . 1 . . . A 26 HIS HD2 . 18709 1 301 . 1 1 26 26 HIS HE1 H 1 7.504 0.000 . 1 . . . A 26 HIS HE1 . 18709 1 302 . 1 1 26 26 HIS C C 13 178.349 0.000 . 1 . . . A 26 HIS C . 18709 1 303 . 1 1 26 26 HIS CA C 13 60.870 0.017 . 1 . . . A 26 HIS CA . 18709 1 304 . 1 1 26 26 HIS CB C 13 31.110 0.081 . 1 . . . A 26 HIS CB . 18709 1 305 . 1 1 26 26 HIS CD2 C 13 119.290 0.000 . 1 . . . A 26 HIS CD2 . 18709 1 306 . 1 1 26 26 HIS CE1 C 13 138.226 0.000 . 1 . . . A 26 HIS CE1 . 18709 1 307 . 1 1 26 26 HIS N N 15 119.771 0.049 . 1 . . . A 26 HIS N . 18709 1 308 . 1 1 27 27 LYS H H 1 7.984 0.005 . 1 . . . A 27 LYS H . 18709 1 309 . 1 1 27 27 LYS HA H 1 3.978 0.009 . 1 . . . A 27 LYS HA . 18709 1 310 . 1 1 27 27 LYS HB2 H 1 1.887 0.005 . 1 . . . A 27 LYS HB2 . 18709 1 311 . 1 1 27 27 LYS HB3 H 1 1.887 0.005 . 1 . . . A 27 LYS HB3 . 18709 1 312 . 1 1 27 27 LYS HG2 H 1 1.553 0.001 . 1 . . . A 27 LYS HG2 . 18709 1 313 . 1 1 27 27 LYS HG3 H 1 1.553 0.001 . 1 . . . A 27 LYS HG3 . 18709 1 314 . 1 1 27 27 LYS HD2 H 1 1.687 0.000 . 1 . . . A 27 LYS HD2 . 18709 1 315 . 1 1 27 27 LYS HD3 H 1 1.687 0.000 . 1 . . . A 27 LYS HD3 . 18709 1 316 . 1 1 27 27 LYS HE2 H 1 2.940 0.000 . 1 . . . A 27 LYS HE2 . 18709 1 317 . 1 1 27 27 LYS HE3 H 1 2.940 0.000 . 1 . . . A 27 LYS HE3 . 18709 1 318 . 1 1 27 27 LYS C C 13 179.155 0.000 . 1 . . . A 27 LYS C . 18709 1 319 . 1 1 27 27 LYS CA C 13 58.453 0.114 . 1 . . . A 27 LYS CA . 18709 1 320 . 1 1 27 27 LYS CB C 13 32.390 0.086 . 1 . . . A 27 LYS CB . 18709 1 321 . 1 1 27 27 LYS CG C 13 24.987 0.005 . 1 . . . A 27 LYS CG . 18709 1 322 . 1 1 27 27 LYS CD C 13 29.278 0.064 . 1 . . . A 27 LYS CD . 18709 1 323 . 1 1 27 27 LYS CE C 13 42.012 0.000 . 1 . . . A 27 LYS CE . 18709 1 324 . 1 1 27 27 LYS N N 15 117.630 0.021 . 1 . . . A 27 LYS N . 18709 1 325 . 1 1 28 28 LYS H H 1 7.496 0.007 . 1 . . . A 28 LYS H . 18709 1 326 . 1 1 28 28 LYS HA H 1 3.986 0.007 . 1 . . . A 28 LYS HA . 18709 1 327 . 1 1 28 28 LYS HB2 H 1 1.886 0.002 . 2 . . . A 28 LYS HB2 . 18709 1 328 . 1 1 28 28 LYS HB3 H 1 1.984 0.000 . 2 . . . A 28 LYS HB3 . 18709 1 329 . 1 1 28 28 LYS HG2 H 1 1.403 0.000 . 2 . . . A 28 LYS HG2 . 18709 1 330 . 1 1 28 28 LYS HG3 H 1 1.566 0.000 . 2 . . . A 28 LYS HG3 . 18709 1 331 . 1 1 28 28 LYS HD2 H 1 1.686 0.000 . 1 . . . A 28 LYS HD2 . 18709 1 332 . 1 1 28 28 LYS HD3 H 1 1.686 0.000 . 1 . . . A 28 LYS HD3 . 18709 1 333 . 1 1 28 28 LYS HE2 H 1 2.944 0.000 . 1 . . . A 28 LYS HE2 . 18709 1 334 . 1 1 28 28 LYS HE3 H 1 2.944 0.000 . 1 . . . A 28 LYS HE3 . 18709 1 335 . 1 1 28 28 LYS C C 13 179.462 0.000 . 1 . . . A 28 LYS C . 18709 1 336 . 1 1 28 28 LYS CA C 13 58.526 0.020 . 1 . . . A 28 LYS CA . 18709 1 337 . 1 1 28 28 LYS CB C 13 32.611 0.068 . 1 . . . A 28 LYS CB . 18709 1 338 . 1 1 28 28 LYS CG C 13 25.340 0.004 . 1 . . . A 28 LYS CG . 18709 1 339 . 1 1 28 28 LYS CD C 13 29.283 0.028 . 1 . . . A 28 LYS CD . 18709 1 340 . 1 1 28 28 LYS CE C 13 41.963 0.000 . 1 . . . A 28 LYS CE . 18709 1 341 . 1 1 28 28 LYS N N 15 116.168 0.032 . 1 . . . A 28 LYS N . 18709 1 342 . 1 1 29 29 LYS H H 1 7.439 0.006 . 1 . . . A 29 LYS H . 18709 1 343 . 1 1 29 29 LYS HA H 1 3.979 0.009 . 1 . . . A 29 LYS HA . 18709 1 344 . 1 1 29 29 LYS HB2 H 1 1.300 0.013 . 2 . . . A 29 LYS HB2 . 18709 1 345 . 1 1 29 29 LYS HB3 H 1 1.531 0.008 . 2 . . . A 29 LYS HB3 . 18709 1 346 . 1 1 29 29 LYS HG2 H 1 1.096 0.000 . 2 . . . A 29 LYS HG2 . 18709 1 347 . 1 1 29 29 LYS HG3 H 1 1.309 0.000 . 2 . . . A 29 LYS HG3 . 18709 1 348 . 1 1 29 29 LYS HD2 H 1 1.599 0.000 . 1 . . . A 29 LYS HD2 . 18709 1 349 . 1 1 29 29 LYS HE2 H 1 2.932 0.000 . 1 . . . A 29 LYS HE2 . 18709 1 350 . 1 1 29 29 LYS HE3 H 1 2.932 0.000 . 1 . . . A 29 LYS HE3 . 18709 1 351 . 1 1 29 29 LYS C C 13 177.422 0.000 . 1 . . . A 29 LYS C . 18709 1 352 . 1 1 29 29 LYS CA C 13 57.474 0.049 . 1 . . . A 29 LYS CA . 18709 1 353 . 1 1 29 29 LYS CB C 13 33.771 0.034 . 1 . . . A 29 LYS CB . 18709 1 354 . 1 1 29 29 LYS CG C 13 25.234 0.001 . 1 . . . A 29 LYS CG . 18709 1 355 . 1 1 29 29 LYS CD C 13 28.889 0.034 . 1 . . . A 29 LYS CD . 18709 1 356 . 1 1 29 29 LYS CE C 13 42.057 0.011 . 1 . . . A 29 LYS CE . 18709 1 357 . 1 1 29 29 LYS N N 15 116.319 0.046 . 1 . . . A 29 LYS N . 18709 1 358 . 1 1 30 30 HIS H H 1 8.030 0.004 . 1 . . . A 30 HIS H . 18709 1 359 . 1 1 30 30 HIS HA H 1 4.990 0.011 . 1 . . . A 30 HIS HA . 18709 1 360 . 1 1 30 30 HIS HB2 H 1 2.613 0.009 . 2 . . . A 30 HIS HB2 . 18709 1 361 . 1 1 30 30 HIS HB3 H 1 2.823 0.007 . 2 . . . A 30 HIS HB3 . 18709 1 362 . 1 1 30 30 HIS HD2 H 1 6.513 0.000 . 1 . . . A 30 HIS HD2 . 18709 1 363 . 1 1 30 30 HIS HE1 H 1 7.786 0.000 . 1 . . . A 30 HIS HE1 . 18709 1 364 . 1 1 30 30 HIS CA C 13 52.548 0.095 . 1 . . . A 30 HIS CA . 18709 1 365 . 1 1 30 30 HIS CB C 13 29.144 0.087 . 1 . . . A 30 HIS CB . 18709 1 366 . 1 1 30 30 HIS CD2 C 13 122.393 0.000 . 1 . . . A 30 HIS CD2 . 18709 1 367 . 1 1 30 30 HIS CE1 C 13 137.985 0.000 . 1 . . . A 30 HIS CE1 . 18709 1 368 . 1 1 30 30 HIS N N 15 115.706 0.084 . 1 . . . A 30 HIS N . 18709 1 369 . 1 1 31 31 PRO HA H 1 4.501 0.002 . 1 . . . A 31 PRO HA . 18709 1 370 . 1 1 31 31 PRO HB2 H 1 1.926 0.004 . 2 . . . A 31 PRO HB2 . 18709 1 371 . 1 1 31 31 PRO HB3 H 1 2.366 0.002 . 2 . . . A 31 PRO HB3 . 18709 1 372 . 1 1 31 31 PRO HG2 H 1 1.924 0.000 . 2 . . . A 31 PRO HG2 . 18709 1 373 . 1 1 31 31 PRO HG3 H 1 1.987 0.000 . 2 . . . A 31 PRO HG3 . 18709 1 374 . 1 1 31 31 PRO HD2 H 1 3.301 0.000 . 2 . . . A 31 PRO HD2 . 18709 1 375 . 1 1 31 31 PRO HD3 H 1 3.550 0.000 . 2 . . . A 31 PRO HD3 . 18709 1 376 . 1 1 31 31 PRO C C 13 178.605 0.000 . 1 . . . A 31 PRO C . 18709 1 377 . 1 1 31 31 PRO CA C 13 64.856 0.061 . 1 . . . A 31 PRO CA . 18709 1 378 . 1 1 31 31 PRO CB C 13 31.878 0.032 . 1 . . . A 31 PRO CB . 18709 1 379 . 1 1 31 31 PRO CG C 13 27.086 0.000 . 1 . . . A 31 PRO CG . 18709 1 380 . 1 1 31 31 PRO CD C 13 50.118 0.013 . 1 . . . A 31 PRO CD . 18709 1 381 . 1 1 32 32 ASP H H 1 8.520 0.004 . 1 . . . A 32 ASP H . 18709 1 382 . 1 1 32 32 ASP HA H 1 4.665 0.009 . 1 . . . A 32 ASP HA . 18709 1 383 . 1 1 32 32 ASP HB2 H 1 2.664 0.002 . 2 . . . A 32 ASP HB2 . 18709 1 384 . 1 1 32 32 ASP HB3 H 1 2.767 0.010 . 2 . . . A 32 ASP HB3 . 18709 1 385 . 1 1 32 32 ASP C C 13 176.840 0.000 . 1 . . . A 32 ASP C . 18709 1 386 . 1 1 32 32 ASP CA C 13 53.745 0.008 . 1 . . . A 32 ASP CA . 18709 1 387 . 1 1 32 32 ASP CB C 13 40.886 0.040 . 1 . . . A 32 ASP CB . 18709 1 388 . 1 1 32 32 ASP N N 15 115.547 0.010 . 1 . . . A 32 ASP N . 18709 1 389 . 1 1 33 33 ALA H H 1 7.494 0.003 . 1 . . . A 33 ALA H . 18709 1 390 . 1 1 33 33 ALA HA H 1 4.431 0.004 . 1 . . . A 33 ALA HA . 18709 1 391 . 1 1 33 33 ALA HB1 H 1 1.421 0.001 . 1 . . . A 33 ALA HB1 . 18709 1 392 . 1 1 33 33 ALA HB2 H 1 1.421 0.001 . 1 . . . A 33 ALA HB2 . 18709 1 393 . 1 1 33 33 ALA HB3 H 1 1.421 0.001 . 1 . . . A 33 ALA HB3 . 18709 1 394 . 1 1 33 33 ALA C C 13 178.778 0.000 . 1 . . . A 33 ALA C . 18709 1 395 . 1 1 33 33 ALA CA C 13 52.119 0.021 . 1 . . . A 33 ALA CA . 18709 1 396 . 1 1 33 33 ALA CB C 13 20.290 0.028 . 1 . . . A 33 ALA CB . 18709 1 397 . 1 1 33 33 ALA N N 15 122.453 0.016 . 1 . . . A 33 ALA N . 18709 1 398 . 1 1 34 34 SER H H 1 8.567 0.002 . 1 . . . A 34 SER H . 18709 1 399 . 1 1 34 34 SER HA H 1 4.507 0.006 . 1 . . . A 34 SER HA . 18709 1 400 . 1 1 34 34 SER HB2 H 1 3.812 0.000 . 1 . . . A 34 SER HB2 . 18709 1 401 . 1 1 34 34 SER HB3 H 1 3.814 0.002 . 1 . . . A 34 SER HB3 . 18709 1 402 . 1 1 34 34 SER C C 13 175.445 0.000 . 1 . . . A 34 SER C . 18709 1 403 . 1 1 34 34 SER CA C 13 57.848 0.041 . 1 . . . A 34 SER CA . 18709 1 404 . 1 1 34 34 SER CB C 13 63.625 0.025 . 1 . . . A 34 SER CB . 18709 1 405 . 1 1 34 34 SER N N 15 117.373 0.020 . 1 . . . A 34 SER N . 18709 1 406 . 1 1 35 35 VAL H H 1 8.319 0.002 . 1 . . . A 35 VAL H . 18709 1 407 . 1 1 35 35 VAL HA H 1 3.983 0.003 . 1 . . . A 35 VAL HA . 18709 1 408 . 1 1 35 35 VAL HB H 1 1.665 0.005 . 1 . . . A 35 VAL HB . 18709 1 409 . 1 1 35 35 VAL HG11 H 1 0.348 0.000 . 2 . . . A 35 VAL HG11 . 18709 1 410 . 1 1 35 35 VAL HG12 H 1 0.348 0.000 . 2 . . . A 35 VAL HG12 . 18709 1 411 . 1 1 35 35 VAL HG13 H 1 0.348 0.000 . 2 . . . A 35 VAL HG13 . 18709 1 412 . 1 1 35 35 VAL HG21 H 1 0.534 0.000 . 2 . . . A 35 VAL HG21 . 18709 1 413 . 1 1 35 35 VAL HG22 H 1 0.534 0.000 . 2 . . . A 35 VAL HG22 . 18709 1 414 . 1 1 35 35 VAL HG23 H 1 0.534 0.000 . 2 . . . A 35 VAL HG23 . 18709 1 415 . 1 1 35 35 VAL C C 13 176.077 0.000 . 1 . . . A 35 VAL C . 18709 1 416 . 1 1 35 35 VAL CA C 13 61.354 0.012 . 1 . . . A 35 VAL CA . 18709 1 417 . 1 1 35 35 VAL CB C 13 33.404 0.048 . 1 . . . A 35 VAL CB . 18709 1 418 . 1 1 35 35 VAL CG1 C 13 20.679 0.000 . 2 . . . A 35 VAL CG1 . 18709 1 419 . 1 1 35 35 VAL CG2 C 13 20.528 0.003 . 2 . . . A 35 VAL CG2 . 18709 1 420 . 1 1 35 35 VAL N N 15 122.324 0.023 . 1 . . . A 35 VAL N . 18709 1 421 . 1 1 36 36 ASN H H 1 8.656 0.006 . 1 . . . A 36 ASN H . 18709 1 422 . 1 1 36 36 ASN HA H 1 4.779 0.000 . 1 . . . A 36 ASN HA . 18709 1 423 . 1 1 36 36 ASN HB2 H 1 2.783 0.003 . 2 . . . A 36 ASN HB2 . 18709 1 424 . 1 1 36 36 ASN HB3 H 1 2.932 0.005 . 2 . . . A 36 ASN HB3 . 18709 1 425 . 1 1 36 36 ASN HD21 H 1 7.051 0.000 . 1 . . . A 36 ASN HD21 . 18709 1 426 . 1 1 36 36 ASN HD22 H 1 7.719 0.000 . 1 . . . A 36 ASN HD22 . 18709 1 427 . 1 1 36 36 ASN C C 13 176.712 0.000 . 1 . . . A 36 ASN C . 18709 1 428 . 1 1 36 36 ASN CA C 13 52.464 0.009 . 1 . . . A 36 ASN CA . 18709 1 429 . 1 1 36 36 ASN CB C 13 38.618 0.041 . 1 . . . A 36 ASN CB . 18709 1 430 . 1 1 36 36 ASN N N 15 124.887 0.021 . 1 . . . A 36 ASN N . 18709 1 431 . 1 1 36 36 ASN ND2 N 15 112.904 0.002 . 1 . . . A 36 ASN ND2 . 18709 1 432 . 1 1 37 37 PHE H H 1 9.000 0.006 . 1 . . . A 37 PHE H . 18709 1 433 . 1 1 37 37 PHE HA H 1 4.036 0.005 . 1 . . . A 37 PHE HA . 18709 1 434 . 1 1 37 37 PHE HB2 H 1 3.003 0.013 . 2 . . . A 37 PHE HB2 . 18709 1 435 . 1 1 37 37 PHE HB3 H 1 3.072 0.003 . 2 . . . A 37 PHE HB3 . 18709 1 436 . 1 1 37 37 PHE HD1 H 1 7.081 0.000 . 3 . . . A 37 PHE HD1 . 18709 1 437 . 1 1 37 37 PHE HD2 H 1 7.081 0.000 . 3 . . . A 37 PHE HD2 . 18709 1 438 . 1 1 37 37 PHE HE1 H 1 7.003 0.000 . 3 . . . A 37 PHE HE1 . 18709 1 439 . 1 1 37 37 PHE HE2 H 1 7.003 0.000 . 3 . . . A 37 PHE HE2 . 18709 1 440 . 1 1 37 37 PHE HZ H 1 7.087 0.000 . 1 . . . A 37 PHE HZ . 18709 1 441 . 1 1 37 37 PHE C C 13 178.625 0.000 . 1 . . . A 37 PHE C . 18709 1 442 . 1 1 37 37 PHE CA C 13 62.154 0.062 . 1 . . . A 37 PHE CA . 18709 1 443 . 1 1 37 37 PHE CB C 13 38.985 0.030 . 1 . . . A 37 PHE CB . 18709 1 444 . 1 1 37 37 PHE CD1 C 13 131.239 0.008 . 3 . . . A 37 PHE CD1 . 18709 1 445 . 1 1 37 37 PHE CD2 C 13 131.239 0.008 . 3 . . . A 37 PHE CD2 . 18709 1 446 . 1 1 37 37 PHE CE1 C 13 131.282 0.001 . 3 . . . A 37 PHE CE1 . 18709 1 447 . 1 1 37 37 PHE CE2 C 13 131.282 0.001 . 3 . . . A 37 PHE CE2 . 18709 1 448 . 1 1 37 37 PHE CZ C 13 129.566 0.008 . 1 . . . A 37 PHE CZ . 18709 1 449 . 1 1 37 37 PHE N N 15 126.002 0.046 . 1 . . . A 37 PHE N . 18709 1 450 . 1 1 38 38 SER H H 1 8.645 0.004 . 1 . . . A 38 SER H . 18709 1 451 . 1 1 38 38 SER HA H 1 4.109 0.000 . 1 . . . A 38 SER HA . 18709 1 452 . 1 1 38 38 SER HB2 H 1 3.677 0.000 . 2 . . . A 38 SER HB2 . 18709 1 453 . 1 1 38 38 SER HB3 H 1 3.750 0.000 . 2 . . . A 38 SER HB3 . 18709 1 454 . 1 1 38 38 SER C C 13 178.043 0.000 . 1 . . . A 38 SER C . 18709 1 455 . 1 1 38 38 SER CA C 13 62.113 0.042 . 1 . . . A 38 SER CA . 18709 1 456 . 1 1 38 38 SER CB C 13 62.362 0.036 . 1 . . . A 38 SER CB . 18709 1 457 . 1 1 38 38 SER N N 15 116.083 0.014 . 1 . . . A 38 SER N . 18709 1 458 . 1 1 39 39 GLU H H 1 7.795 0.003 . 1 . . . A 39 GLU H . 18709 1 459 . 1 1 39 39 GLU HA H 1 4.062 0.000 . 1 . . . A 39 GLU HA . 18709 1 460 . 1 1 39 39 GLU HB2 H 1 2.017 0.000 . 2 . . . A 39 GLU HB2 . 18709 1 461 . 1 1 39 39 GLU HB3 H 1 2.073 0.000 . 2 . . . A 39 GLU HB3 . 18709 1 462 . 1 1 39 39 GLU HG2 H 1 2.214 0.000 . 2 . . . A 39 GLU HG2 . 18709 1 463 . 1 1 39 39 GLU HG3 H 1 2.331 0.000 . 2 . . . A 39 GLU HG3 . 18709 1 464 . 1 1 39 39 GLU C C 13 179.743 0.000 . 1 . . . A 39 GLU C . 18709 1 465 . 1 1 39 39 GLU CA C 13 58.726 0.003 . 1 . . . A 39 GLU CA . 18709 1 466 . 1 1 39 39 GLU CB C 13 29.887 0.032 . 1 . . . A 39 GLU CB . 18709 1 467 . 1 1 39 39 GLU CG C 13 36.239 0.044 . 1 . . . A 39 GLU CG . 18709 1 468 . 1 1 39 39 GLU N N 15 121.496 0.008 . 1 . . . A 39 GLU N . 18709 1 469 . 1 1 40 40 PHE H H 1 8.578 0.003 . 1 . . . A 40 PHE H . 18709 1 470 . 1 1 40 40 PHE HA H 1 4.036 0.001 . 1 . . . A 40 PHE HA . 18709 1 471 . 1 1 40 40 PHE HB2 H 1 2.764 0.000 . 2 . . . A 40 PHE HB2 . 18709 1 472 . 1 1 40 40 PHE HB3 H 1 2.982 0.000 . 2 . . . A 40 PHE HB3 . 18709 1 473 . 1 1 40 40 PHE HD1 H 1 6.899 0.000 . 3 . . . A 40 PHE HD1 . 18709 1 474 . 1 1 40 40 PHE HD2 H 1 6.899 0.000 . 3 . . . A 40 PHE HD2 . 18709 1 475 . 1 1 40 40 PHE HE1 H 1 6.894 0.000 . 3 . . . A 40 PHE HE1 . 18709 1 476 . 1 1 40 40 PHE HE2 H 1 6.894 0.000 . 3 . . . A 40 PHE HE2 . 18709 1 477 . 1 1 40 40 PHE HZ H 1 6.809 0.000 . 1 . . . A 40 PHE HZ . 18709 1 478 . 1 1 40 40 PHE C C 13 178.959 0.000 . 1 . . . A 40 PHE C . 18709 1 479 . 1 1 40 40 PHE CA C 13 61.762 0.107 . 1 . . . A 40 PHE CA . 18709 1 480 . 1 1 40 40 PHE CB C 13 39.928 0.016 . 1 . . . A 40 PHE CB . 18709 1 481 . 1 1 40 40 PHE CD1 C 13 131.452 0.006 . 3 . . . A 40 PHE CD1 . 18709 1 482 . 1 1 40 40 PHE CD2 C 13 131.452 0.006 . 3 . . . A 40 PHE CD2 . 18709 1 483 . 1 1 40 40 PHE CE1 C 13 131.113 0.005 . 3 . . . A 40 PHE CE1 . 18709 1 484 . 1 1 40 40 PHE CE2 C 13 131.113 0.005 . 3 . . . A 40 PHE CE2 . 18709 1 485 . 1 1 40 40 PHE CZ C 13 129.023 0.003 . 1 . . . A 40 PHE CZ . 18709 1 486 . 1 1 40 40 PHE N N 15 121.185 0.022 . 1 . . . A 40 PHE N . 18709 1 487 . 1 1 41 41 SER H H 1 8.559 0.003 . 1 . . . A 41 SER H . 18709 1 488 . 1 1 41 41 SER HA H 1 3.755 0.000 . 1 . . . A 41 SER HA . 18709 1 489 . 1 1 41 41 SER HB2 H 1 3.681 0.000 . 2 . . . A 41 SER HB2 . 18709 1 490 . 1 1 41 41 SER HB3 H 1 3.748 0.000 . 2 . . . A 41 SER HB3 . 18709 1 491 . 1 1 41 41 SER C C 13 177.666 0.000 . 1 . . . A 41 SER C . 18709 1 492 . 1 1 41 41 SER CA C 13 61.842 0.034 . 1 . . . A 41 SER CA . 18709 1 493 . 1 1 41 41 SER CB C 13 62.531 0.077 . 1 . . . A 41 SER CB . 18709 1 494 . 1 1 41 41 SER N N 15 114.325 0.014 . 1 . . . A 41 SER N . 18709 1 495 . 1 1 42 42 LYS H H 1 7.471 0.003 . 1 . . . A 42 LYS H . 18709 1 496 . 1 1 42 42 LYS HA H 1 4.067 0.001 . 1 . . . A 42 LYS HA . 18709 1 497 . 1 1 42 42 LYS HB2 H 1 1.874 0.000 . 2 . . . A 42 LYS HB2 . 18709 1 498 . 1 1 42 42 LYS HB3 H 1 1.983 0.000 . 2 . . . A 42 LYS HB3 . 18709 1 499 . 1 1 42 42 LYS HG2 H 1 1.409 0.000 . 2 . . . A 42 LYS HG2 . 18709 1 500 . 1 1 42 42 LYS HG3 H 1 1.486 0.000 . 2 . . . A 42 LYS HG3 . 18709 1 501 . 1 1 42 42 LYS HD2 H 1 1.486 0.000 . 1 . . . A 42 LYS HD2 . 18709 1 502 . 1 1 42 42 LYS HD3 H 1 1.486 0.000 . 1 . . . A 42 LYS HD3 . 18709 1 503 . 1 1 42 42 LYS HE2 H 1 2.944 0.000 . 1 . . . A 42 LYS HE2 . 18709 1 504 . 1 1 42 42 LYS HE3 H 1 2.944 0.000 . 1 . . . A 42 LYS HE3 . 18709 1 505 . 1 1 42 42 LYS C C 13 180.095 0.000 . 1 . . . A 42 LYS C . 18709 1 506 . 1 1 42 42 LYS CA C 13 59.495 0.015 . 1 . . . A 42 LYS CA . 18709 1 507 . 1 1 42 42 LYS CB C 13 32.382 0.154 . 1 . . . A 42 LYS CB . 18709 1 508 . 1 1 42 42 LYS CG C 13 24.871 0.036 . 1 . . . A 42 LYS CG . 18709 1 509 . 1 1 42 42 LYS CD C 13 29.089 0.000 . 1 . . . A 42 LYS CD . 18709 1 510 . 1 1 42 42 LYS CE C 13 41.985 0.000 . 1 . . . A 42 LYS CE . 18709 1 511 . 1 1 42 42 LYS N N 15 121.621 0.010 . 1 . . . A 42 LYS N . 18709 1 512 . 1 1 43 43 LYS H H 1 7.788 0.007 . 1 . . . A 43 LYS H . 18709 1 513 . 1 1 43 43 LYS HA H 1 4.075 0.010 . 1 . . . A 43 LYS HA . 18709 1 514 . 1 1 43 43 LYS HB2 H 1 1.786 0.000 . 2 . . . A 43 LYS HB2 . 18709 1 515 . 1 1 43 43 LYS HB3 H 1 1.810 0.006 . 1 . . . A 43 LYS HB3 . 18709 1 516 . 1 1 43 43 LYS HG2 H 1 1.413 0.000 . 2 . . . A 43 LYS HG2 . 18709 1 517 . 1 1 43 43 LYS HG3 H 1 1.520 0.000 . 2 . . . A 43 LYS HG3 . 18709 1 518 . 1 1 43 43 LYS HD2 H 1 1.623 0.000 . 1 . . . A 43 LYS HD2 . 18709 1 519 . 1 1 43 43 LYS HE2 H 1 2.928 0.000 . 1 . . . A 43 LYS HE2 . 18709 1 520 . 1 1 43 43 LYS HE3 H 1 2.928 0.000 . 1 . . . A 43 LYS HE3 . 18709 1 521 . 1 1 43 43 LYS C C 13 181.348 0.000 . 1 . . . A 43 LYS C . 18709 1 522 . 1 1 43 43 LYS CA C 13 59.098 0.029 . 1 . . . A 43 LYS CA . 18709 1 523 . 1 1 43 43 LYS CB C 13 31.702 0.007 . 1 . . . A 43 LYS CB . 18709 1 524 . 1 1 43 43 LYS CG C 13 25.007 0.011 . 1 . . . A 43 LYS CG . 18709 1 525 . 1 1 43 43 LYS CD C 13 28.858 0.000 . 1 . . . A 43 LYS CD . 18709 1 526 . 1 1 43 43 LYS CE C 13 41.939 0.000 . 1 . . . A 43 LYS CE . 18709 1 527 . 1 1 43 43 LYS N N 15 119.163 0.014 . 1 . . . A 43 LYS N . 18709 1 528 . 1 1 44 44 CYS H H 1 8.071 0.008 . 1 . . . A 44 CYS H . 18709 1 529 . 1 1 44 44 CYS HA H 1 4.110 0.006 . 1 . . . A 44 CYS HA . 18709 1 530 . 1 1 44 44 CYS HB2 H 1 2.589 0.015 . 2 . . . A 44 CYS HB2 . 18709 1 531 . 1 1 44 44 CYS HB3 H 1 3.074 0.003 . 2 . . . A 44 CYS HB3 . 18709 1 532 . 1 1 44 44 CYS C C 13 177.925 0.000 . 1 . . . A 44 CYS C . 18709 1 533 . 1 1 44 44 CYS CA C 13 64.320 0.064 . 1 . . . A 44 CYS CA . 18709 1 534 . 1 1 44 44 CYS CB C 13 26.927 0.053 . 1 . . . A 44 CYS CB . 18709 1 535 . 1 1 44 44 CYS N N 15 117.281 0.012 . 1 . . . A 44 CYS N . 18709 1 536 . 1 1 45 45 SER H H 1 8.387 0.003 . 1 . . . A 45 SER H . 18709 1 537 . 1 1 45 45 SER HA H 1 4.268 0.000 . 1 . . . A 45 SER HA . 18709 1 538 . 1 1 45 45 SER HB2 H 1 4.013 0.001 . 2 . . . A 45 SER HB2 . 18709 1 539 . 1 1 45 45 SER HB3 H 1 4.074 0.000 . 2 . . . A 45 SER HB3 . 18709 1 540 . 1 1 45 45 SER C C 13 178.326 0.000 . 1 . . . A 45 SER C . 18709 1 541 . 1 1 45 45 SER CA C 13 62.152 0.012 . 1 . . . A 45 SER CA . 18709 1 542 . 1 1 45 45 SER CB C 13 62.795 0.058 . 1 . . . A 45 SER CB . 18709 1 543 . 1 1 45 45 SER N N 15 117.053 0.015 . 1 . . . A 45 SER N . 18709 1 544 . 1 1 46 46 GLU H H 1 7.988 0.006 . 1 . . . A 46 GLU H . 18709 1 545 . 1 1 46 46 GLU HA H 1 4.079 0.015 . 1 . . . A 46 GLU HA . 18709 1 546 . 1 1 46 46 GLU HB2 H 1 2.098 0.000 . 2 . . . A 46 GLU HB2 . 18709 1 547 . 1 1 46 46 GLU HB3 H 1 2.191 0.000 . 2 . . . A 46 GLU HB3 . 18709 1 548 . 1 1 46 46 GLU HG2 H 1 2.334 0.000 . 2 . . . A 46 GLU HG2 . 18709 1 549 . 1 1 46 46 GLU HG3 H 1 2.462 0.000 . 2 . . . A 46 GLU HG3 . 18709 1 550 . 1 1 46 46 GLU C C 13 180.437 0.000 . 1 . . . A 46 GLU C . 18709 1 551 . 1 1 46 46 GLU CA C 13 59.298 0.010 . 1 . . . A 46 GLU CA . 18709 1 552 . 1 1 46 46 GLU CB C 13 29.561 0.006 . 1 . . . A 46 GLU CB . 18709 1 553 . 1 1 46 46 GLU CG C 13 36.409 0.141 . 1 . . . A 46 GLU CG . 18709 1 554 . 1 1 46 46 GLU N N 15 120.506 0.036 . 1 . . . A 46 GLU N . 18709 1 555 . 1 1 47 47 ARG H H 1 7.954 0.014 . 1 . . . A 47 ARG H . 18709 1 556 . 1 1 47 47 ARG HA H 1 4.162 0.000 . 1 . . . A 47 ARG HA . 18709 1 557 . 1 1 47 47 ARG HB2 H 1 2.150 0.000 . 2 . . . A 47 ARG HB2 . 18709 1 558 . 1 1 47 47 ARG HB3 H 1 2.231 0.010 . 2 . . . A 47 ARG HB3 . 18709 1 559 . 1 1 47 47 ARG HG2 H 1 1.869 0.000 . 2 . . . A 47 ARG HG2 . 18709 1 560 . 1 1 47 47 ARG HG3 H 1 1.934 0.000 . 2 . . . A 47 ARG HG3 . 18709 1 561 . 1 1 47 47 ARG HD2 H 1 3.209 0.000 . 2 . . . A 47 ARG HD2 . 18709 1 562 . 1 1 47 47 ARG HD3 H 1 3.367 0.000 . 2 . . . A 47 ARG HD3 . 18709 1 563 . 1 1 47 47 ARG C C 13 179.987 0.000 . 1 . . . A 47 ARG C . 18709 1 564 . 1 1 47 47 ARG CA C 13 58.640 0.067 . 1 . . . A 47 ARG CA . 18709 1 565 . 1 1 47 47 ARG CB C 13 30.582 0.113 . 1 . . . A 47 ARG CB . 18709 1 566 . 1 1 47 47 ARG CG C 13 27.380 0.033 . 1 . . . A 47 ARG CG . 18709 1 567 . 1 1 47 47 ARG CD C 13 43.656 0.074 . 1 . . . A 47 ARG CD . 18709 1 568 . 1 1 47 47 ARG N N 15 119.074 0.026 . 1 . . . A 47 ARG N . 18709 1 569 . 1 1 48 48 TRP H H 1 8.721 0.006 . 1 . . . A 48 TRP H . 18709 1 570 . 1 1 48 48 TRP HA H 1 4.356 0.005 . 1 . . . A 48 TRP HA . 18709 1 571 . 1 1 48 48 TRP HB2 H 1 3.333 0.012 . 2 . . . A 48 TRP HB2 . 18709 1 572 . 1 1 48 48 TRP HB3 H 1 3.390 0.002 . 2 . . . A 48 TRP HB3 . 18709 1 573 . 1 1 48 48 TRP HD1 H 1 6.961 0.000 . 1 . . . A 48 TRP HD1 . 18709 1 574 . 1 1 48 48 TRP HE1 H 1 10.174 0.000 . 1 . . . A 48 TRP HE1 . 18709 1 575 . 1 1 48 48 TRP HE3 H 1 6.122 0.000 . 1 . . . A 48 TRP HE3 . 18709 1 576 . 1 1 48 48 TRP HZ2 H 1 7.586 0.000 . 1 . . . A 48 TRP HZ2 . 18709 1 577 . 1 1 48 48 TRP HZ3 H 1 6.436 0.000 . 1 . . . A 48 TRP HZ3 . 18709 1 578 . 1 1 48 48 TRP HH2 H 1 7.090 0.000 . 1 . . . A 48 TRP HH2 . 18709 1 579 . 1 1 48 48 TRP C C 13 179.340 0.000 . 1 . . . A 48 TRP C . 18709 1 580 . 1 1 48 48 TRP CA C 13 59.689 0.037 . 1 . . . A 48 TRP CA . 18709 1 581 . 1 1 48 48 TRP CB C 13 30.744 0.048 . 1 . . . A 48 TRP CB . 18709 1 582 . 1 1 48 48 TRP CD1 C 13 127.430 0.005 . 1 . . . A 48 TRP CD1 . 18709 1 583 . 1 1 48 48 TRP CE3 C 13 121.442 0.000 . 1 . . . A 48 TRP CE3 . 18709 1 584 . 1 1 48 48 TRP CZ2 C 13 114.238 0.007 . 1 . . . A 48 TRP CZ2 . 18709 1 585 . 1 1 48 48 TRP CZ3 C 13 121.812 0.012 . 1 . . . A 48 TRP CZ3 . 18709 1 586 . 1 1 48 48 TRP CH2 C 13 123.806 0.005 . 1 . . . A 48 TRP CH2 . 18709 1 587 . 1 1 48 48 TRP N N 15 120.896 0.024 . 1 . . . A 48 TRP N . 18709 1 588 . 1 1 48 48 TRP NE1 N 15 127.836 0.001 . 1 . . . A 48 TRP NE1 . 18709 1 589 . 1 1 49 49 LYS H H 1 7.684 0.007 . 1 . . . A 49 LYS H . 18709 1 590 . 1 1 49 49 LYS HA H 1 4.031 0.000 . 1 . . . A 49 LYS HA . 18709 1 591 . 1 1 49 49 LYS HB2 H 1 1.969 0.002 . 2 . . . A 49 LYS HB2 . 18709 1 592 . 1 1 49 49 LYS HB3 H 1 1.972 0.000 . 2 . . . A 49 LYS HB3 . 18709 1 593 . 1 1 49 49 LYS HG2 H 1 1.514 0.001 . 2 . . . A 49 LYS HG2 . 18709 1 594 . 1 1 49 49 LYS HG3 H 1 1.729 0.000 . 2 . . . A 49 LYS HG3 . 18709 1 595 . 1 1 49 49 LYS HD2 H 1 1.705 0.000 . 1 . . . A 49 LYS HD2 . 18709 1 596 . 1 1 49 49 LYS HD3 H 1 1.705 0.000 . 1 . . . A 49 LYS HD3 . 18709 1 597 . 1 1 49 49 LYS HE2 H 1 2.935 0.000 . 1 . . . A 49 LYS HE2 . 18709 1 598 . 1 1 49 49 LYS HE3 H 1 2.935 0.000 . 1 . . . A 49 LYS HE3 . 18709 1 599 . 1 1 49 49 LYS C C 13 179.267 0.000 . 1 . . . A 49 LYS C . 18709 1 600 . 1 1 49 49 LYS CA C 13 58.932 0.008 . 1 . . . A 49 LYS CA . 18709 1 601 . 1 1 49 49 LYS CB C 13 32.960 0.056 . 1 . . . A 49 LYS CB . 18709 1 602 . 1 1 49 49 LYS CG C 13 25.521 0.017 . 1 . . . A 49 LYS CG . 18709 1 603 . 1 1 49 49 LYS CD C 13 29.576 0.050 . 1 . . . A 49 LYS CD . 18709 1 604 . 1 1 49 49 LYS CE C 13 41.988 0.000 . 1 . . . A 49 LYS CE . 18709 1 605 . 1 1 49 49 LYS N N 15 114.334 0.012 . 1 . . . A 49 LYS N . 18709 1 606 . 1 1 50 50 THR H H 1 7.414 0.006 . 1 . . . A 50 THR H . 18709 1 607 . 1 1 50 50 THR HA H 1 4.387 0.002 . 1 . . . A 50 THR HA . 18709 1 608 . 1 1 50 50 THR HB H 1 4.462 0.007 . 1 . . . A 50 THR HB . 18709 1 609 . 1 1 50 50 THR HG21 H 1 1.261 0.001 . 1 . . . A 50 THR HG21 . 18709 1 610 . 1 1 50 50 THR HG22 H 1 1.261 0.001 . 1 . . . A 50 THR HG22 . 18709 1 611 . 1 1 50 50 THR HG23 H 1 1.261 0.001 . 1 . . . A 50 THR HG23 . 18709 1 612 . 1 1 50 50 THR C C 13 176.014 0.000 . 1 . . . A 50 THR C . 18709 1 613 . 1 1 50 50 THR CA C 13 61.360 0.027 . 1 . . . A 50 THR CA . 18709 1 614 . 1 1 50 50 THR CB C 13 69.777 0.033 . 1 . . . A 50 THR CB . 18709 1 615 . 1 1 50 50 THR CG2 C 13 21.736 0.038 . 1 . . . A 50 THR CG2 . 18709 1 616 . 1 1 50 50 THR N N 15 106.338 0.015 . 1 . . . A 50 THR N . 18709 1 617 . 1 1 51 51 MET H H 1 7.133 0.005 . 1 . . . A 51 MET H . 18709 1 618 . 1 1 51 51 MET HA H 1 4.208 0.000 . 1 . . . A 51 MET HA . 18709 1 619 . 1 1 51 51 MET HB2 H 1 1.650 0.000 . 2 . . . A 51 MET HB2 . 18709 1 620 . 1 1 51 51 MET HB3 H 1 1.819 0.000 . 2 . . . A 51 MET HB3 . 18709 1 621 . 1 1 51 51 MET HG2 H 1 2.536 0.000 . 1 . . . A 51 MET HG2 . 18709 1 622 . 1 1 51 51 MET HG3 H 1 2.536 0.000 . 1 . . . A 51 MET HG3 . 18709 1 623 . 1 1 51 51 MET HE1 H 1 1.814 0.000 . 1 . . . A 51 MET HE1 . 18709 1 624 . 1 1 51 51 MET HE2 H 1 1.814 0.000 . 1 . . . A 51 MET HE2 . 18709 1 625 . 1 1 51 51 MET HE3 H 1 1.814 0.000 . 1 . . . A 51 MET HE3 . 18709 1 626 . 1 1 51 51 MET C C 13 177.029 0.000 . 1 . . . A 51 MET C . 18709 1 627 . 1 1 51 51 MET CA C 13 56.413 0.000 . 1 . . . A 51 MET CA . 18709 1 628 . 1 1 51 51 MET CB C 13 35.103 0.039 . 1 . . . A 51 MET CB . 18709 1 629 . 1 1 51 51 MET CG C 13 31.449 0.018 . 1 . . . A 51 MET CG . 18709 1 630 . 1 1 51 51 MET CE C 13 16.366 0.003 . 1 . . . A 51 MET CE . 18709 1 631 . 1 1 51 51 MET N N 15 123.497 0.076 . 1 . . . A 51 MET N . 18709 1 632 . 1 1 52 52 SER H H 1 9.002 0.003 . 1 . . . A 52 SER H . 18709 1 633 . 1 1 52 52 SER HA H 1 4.354 0.003 . 1 . . . A 52 SER HA . 18709 1 634 . 1 1 52 52 SER HB2 H 1 4.072 0.005 . 2 . . . A 52 SER HB2 . 18709 1 635 . 1 1 52 52 SER HB3 H 1 4.340 0.000 . 2 . . . A 52 SER HB3 . 18709 1 636 . 1 1 52 52 SER C C 13 175.791 0.000 . 1 . . . A 52 SER C . 18709 1 637 . 1 1 52 52 SER CA C 13 57.199 0.100 . 1 . . . A 52 SER CA . 18709 1 638 . 1 1 52 52 SER CB C 13 65.433 0.036 . 1 . . . A 52 SER CB . 18709 1 639 . 1 1 52 52 SER N N 15 119.527 0.013 . 1 . . . A 52 SER N . 18709 1 640 . 1 1 53 53 ALA H H 1 8.862 0.005 . 1 . . . A 53 ALA H . 18709 1 641 . 1 1 53 53 ALA HA H 1 3.919 0.005 . 1 . . . A 53 ALA HA . 18709 1 642 . 1 1 53 53 ALA HB1 H 1 1.431 0.001 . 1 . . . A 53 ALA HB1 . 18709 1 643 . 1 1 53 53 ALA HB2 H 1 1.431 0.001 . 1 . . . A 53 ALA HB2 . 18709 1 644 . 1 1 53 53 ALA HB3 H 1 1.431 0.001 . 1 . . . A 53 ALA HB3 . 18709 1 645 . 1 1 53 53 ALA C C 13 182.403 0.000 . 1 . . . A 53 ALA C . 18709 1 646 . 1 1 53 53 ALA CA C 13 55.462 0.026 . 1 . . . A 53 ALA CA . 18709 1 647 . 1 1 53 53 ALA CB C 13 17.818 0.028 . 1 . . . A 53 ALA CB . 18709 1 648 . 1 1 53 53 ALA N N 15 123.016 0.018 . 1 . . . A 53 ALA N . 18709 1 649 . 1 1 54 54 LYS H H 1 8.254 0.004 . 1 . . . A 54 LYS H . 18709 1 650 . 1 1 54 54 LYS HA H 1 4.057 0.003 . 1 . . . A 54 LYS HA . 18709 1 651 . 1 1 54 54 LYS HB2 H 1 1.857 0.003 . 1 . . . A 54 LYS HB2 . 18709 1 652 . 1 1 54 54 LYS HB3 H 1 1.857 0.003 . 1 . . . A 54 LYS HB3 . 18709 1 653 . 1 1 54 54 LYS HG2 H 1 1.435 0.000 . 1 . . . A 54 LYS HG2 . 18709 1 654 . 1 1 54 54 LYS HG3 H 1 1.435 0.000 . 1 . . . A 54 LYS HG3 . 18709 1 655 . 1 1 54 54 LYS HD2 H 1 1.715 0.000 . 1 . . . A 54 LYS HD2 . 18709 1 656 . 1 1 54 54 LYS HD3 H 1 1.715 0.000 . 1 . . . A 54 LYS HD3 . 18709 1 657 . 1 1 54 54 LYS HE2 H 1 2.948 0.000 . 1 . . . A 54 LYS HE2 . 18709 1 658 . 1 1 54 54 LYS HE3 H 1 2.948 0.000 . 1 . . . A 54 LYS HE3 . 18709 1 659 . 1 1 54 54 LYS C C 13 180.752 0.000 . 1 . . . A 54 LYS C . 18709 1 660 . 1 1 54 54 LYS CA C 13 59.106 0.019 . 1 . . . A 54 LYS CA . 18709 1 661 . 1 1 54 54 LYS CB C 13 32.398 0.008 . 1 . . . A 54 LYS CB . 18709 1 662 . 1 1 54 54 LYS CG C 13 24.896 0.000 . 1 . . . A 54 LYS CG . 18709 1 663 . 1 1 54 54 LYS CD C 13 28.827 0.000 . 1 . . . A 54 LYS CD . 18709 1 664 . 1 1 54 54 LYS CE C 13 41.833 0.000 . 1 . . . A 54 LYS CE . 18709 1 665 . 1 1 54 54 LYS N N 15 117.698 0.017 . 1 . . . A 54 LYS N . 18709 1 666 . 1 1 55 55 GLU H H 1 7.652 0.004 . 1 . . . A 55 GLU H . 18709 1 667 . 1 1 55 55 GLU HA H 1 4.071 0.002 . 1 . . . A 55 GLU HA . 18709 1 668 . 1 1 55 55 GLU HB2 H 1 2.144 0.001 . 2 . . . A 55 GLU HB2 . 18709 1 669 . 1 1 55 55 GLU HB3 H 1 2.217 0.001 . 2 . . . A 55 GLU HB3 . 18709 1 670 . 1 1 55 55 GLU HG2 H 1 2.376 0.000 . 1 . . . A 55 GLU HG2 . 18709 1 671 . 1 1 55 55 GLU HG3 H 1 2.376 0.000 . 1 . . . A 55 GLU HG3 . 18709 1 672 . 1 1 55 55 GLU C C 13 179.888 0.000 . 1 . . . A 55 GLU C . 18709 1 673 . 1 1 55 55 GLU CA C 13 59.121 0.098 . 1 . . . A 55 GLU CA . 18709 1 674 . 1 1 55 55 GLU CB C 13 30.230 0.054 . 1 . . . A 55 GLU CB . 18709 1 675 . 1 1 55 55 GLU CG C 13 37.686 0.096 . 1 . . . A 55 GLU CG . 18709 1 676 . 1 1 55 55 GLU N N 15 120.039 0.027 . 1 . . . A 55 GLU N . 18709 1 677 . 1 1 56 56 LYS H H 1 8.115 0.005 . 1 . . . A 56 LYS H . 18709 1 678 . 1 1 56 56 LYS HA H 1 4.098 0.000 . 1 . . . A 56 LYS HA . 18709 1 679 . 1 1 56 56 LYS HB2 H 1 1.566 0.000 . 2 . . . A 56 LYS HB2 . 18709 1 680 . 1 1 56 56 LYS HB3 H 1 1.766 0.000 . 2 . . . A 56 LYS HB3 . 18709 1 681 . 1 1 56 56 LYS HG2 H 1 -0.012 0.000 . 2 . . . A 56 LYS HG2 . 18709 1 682 . 1 1 56 56 LYS HG3 H 1 0.997 0.000 . 2 . . . A 56 LYS HG3 . 18709 1 683 . 1 1 56 56 LYS HD2 H 1 0.819 0.000 . 2 . . . A 56 LYS HD2 . 18709 1 684 . 1 1 56 56 LYS HD3 H 1 0.866 0.000 . 2 . . . A 56 LYS HD3 . 18709 1 685 . 1 1 56 56 LYS HE2 H 1 1.245 0.000 . 2 . . . A 56 LYS HE2 . 18709 1 686 . 1 1 56 56 LYS HE3 H 1 1.928 0.000 . 2 . . . A 56 LYS HE3 . 18709 1 687 . 1 1 56 56 LYS C C 13 180.132 0.000 . 1 . . . A 56 LYS C . 18709 1 688 . 1 1 56 56 LYS CA C 13 59.502 0.001 . 1 . . . A 56 LYS CA . 18709 1 689 . 1 1 56 56 LYS CB C 13 32.855 0.000 . 1 . . . A 56 LYS CB . 18709 1 690 . 1 1 56 56 LYS CG C 13 26.238 0.001 . 1 . . . A 56 LYS CG . 18709 1 691 . 1 1 56 56 LYS CD C 13 29.199 0.004 . 1 . . . A 56 LYS CD . 18709 1 692 . 1 1 56 56 LYS CE C 13 41.971 0.006 . 1 . . . A 56 LYS CE . 18709 1 693 . 1 1 56 56 LYS N N 15 116.710 0.020 . 1 . . . A 56 LYS N . 18709 1 694 . 1 1 57 57 GLY H H 1 7.855 0.004 . 1 . . . A 57 GLY H . 18709 1 695 . 1 1 57 57 GLY HA2 H 1 3.863 0.000 . 2 . . . A 57 GLY HA2 . 18709 1 696 . 1 1 57 57 GLY HA3 H 1 4.032 0.000 . 2 . . . A 57 GLY HA3 . 18709 1 697 . 1 1 57 57 GLY C C 13 176.353 0.000 . 1 . . . A 57 GLY C . 18709 1 698 . 1 1 57 57 GLY CA C 13 47.874 0.049 . 1 . . . A 57 GLY CA . 18709 1 699 . 1 1 57 57 GLY N N 15 106.706 0.008 . 1 . . . A 57 GLY N . 18709 1 700 . 1 1 58 58 LYS H H 1 7.865 0.003 . 1 . . . A 58 LYS H . 18709 1 701 . 1 1 58 58 LYS HA H 1 4.067 0.007 . 1 . . . A 58 LYS HA . 18709 1 702 . 1 1 58 58 LYS HB2 H 1 1.337 0.008 . 2 . . . A 58 LYS HB2 . 18709 1 703 . 1 1 58 58 LYS HB3 H 1 1.641 0.006 . 2 . . . A 58 LYS HB3 . 18709 1 704 . 1 1 58 58 LYS HG2 H 1 0.820 0.000 . 2 . . . A 58 LYS HG2 . 18709 1 705 . 1 1 58 58 LYS HG3 H 1 0.873 0.000 . 2 . . . A 58 LYS HG3 . 18709 1 706 . 1 1 58 58 LYS HD2 H 1 1.476 0.000 . 1 . . . A 58 LYS HD2 . 18709 1 707 . 1 1 58 58 LYS HD3 H 1 1.476 0.000 . 1 . . . A 58 LYS HD3 . 18709 1 708 . 1 1 58 58 LYS HE2 H 1 2.562 0.000 . 2 . . . A 58 LYS HE2 . 18709 1 709 . 1 1 58 58 LYS HE3 H 1 2.792 0.000 . 2 . . . A 58 LYS HE3 . 18709 1 710 . 1 1 58 58 LYS C C 13 179.696 0.000 . 1 . . . A 58 LYS C . 18709 1 711 . 1 1 58 58 LYS CA C 13 58.964 0.009 . 1 . . . A 58 LYS CA . 18709 1 712 . 1 1 58 58 LYS CB C 13 31.733 0.091 . 1 . . . A 58 LYS CB . 18709 1 713 . 1 1 58 58 LYS CG C 13 23.627 0.018 . 1 . . . A 58 LYS CG . 18709 1 714 . 1 1 58 58 LYS CD C 13 29.089 0.000 . 1 . . . A 58 LYS CD . 18709 1 715 . 1 1 58 58 LYS CE C 13 41.726 0.015 . 1 . . . A 58 LYS CE . 18709 1 716 . 1 1 58 58 LYS N N 15 119.114 0.010 . 1 . . . A 58 LYS N . 18709 1 717 . 1 1 59 59 PHE H H 1 7.284 0.003 . 1 . . . A 59 PHE H . 18709 1 718 . 1 1 59 59 PHE HA H 1 4.457 0.013 . 1 . . . A 59 PHE HA . 18709 1 719 . 1 1 59 59 PHE HB2 H 1 3.399 0.008 . 2 . . . A 59 PHE HB2 . 18709 1 720 . 1 1 59 59 PHE HB3 H 1 4.129 0.007 . 2 . . . A 59 PHE HB3 . 18709 1 721 . 1 1 59 59 PHE HD1 H 1 7.604 0.000 . 3 . . . A 59 PHE HD1 . 18709 1 722 . 1 1 59 59 PHE HD2 H 1 7.604 0.000 . 3 . . . A 59 PHE HD2 . 18709 1 723 . 1 1 59 59 PHE HE1 H 1 7.732 0.000 . 3 . . . A 59 PHE HE1 . 18709 1 724 . 1 1 59 59 PHE HE2 H 1 7.732 0.000 . 3 . . . A 59 PHE HE2 . 18709 1 725 . 1 1 59 59 PHE HZ H 1 7.800 0.000 . 1 . . . A 59 PHE HZ . 18709 1 726 . 1 1 59 59 PHE C C 13 179.638 0.000 . 1 . . . A 59 PHE C . 18709 1 727 . 1 1 59 59 PHE CA C 13 60.845 0.052 . 1 . . . A 59 PHE CA . 18709 1 728 . 1 1 59 59 PHE CB C 13 38.788 0.162 . 1 . . . A 59 PHE CB . 18709 1 729 . 1 1 59 59 PHE CD1 C 13 132.157 0.012 . 3 . . . A 59 PHE CD1 . 18709 1 730 . 1 1 59 59 PHE CD2 C 13 132.157 0.012 . 3 . . . A 59 PHE CD2 . 18709 1 731 . 1 1 59 59 PHE CE1 C 13 132.179 0.000 . 3 . . . A 59 PHE CE1 . 18709 1 732 . 1 1 59 59 PHE CE2 C 13 132.179 0.000 . 3 . . . A 59 PHE CE2 . 18709 1 733 . 1 1 59 59 PHE CZ C 13 130.459 0.000 . 1 . . . A 59 PHE CZ . 18709 1 734 . 1 1 59 59 PHE N N 15 119.468 0.062 . 1 . . . A 59 PHE N . 18709 1 735 . 1 1 60 60 GLU H H 1 8.405 0.003 . 1 . . . A 60 GLU H . 18709 1 736 . 1 1 60 60 GLU HA H 1 4.442 0.000 . 1 . . . A 60 GLU HA . 18709 1 737 . 1 1 60 60 GLU HB2 H 1 2.241 0.000 . 2 . . . A 60 GLU HB2 . 18709 1 738 . 1 1 60 60 GLU HB3 H 1 2.349 0.000 . 2 . . . A 60 GLU HB3 . 18709 1 739 . 1 1 60 60 GLU HG2 H 1 2.514 0.000 . 2 . . . A 60 GLU HG2 . 18709 1 740 . 1 1 60 60 GLU HG3 H 1 2.571 0.000 . 2 . . . A 60 GLU HG3 . 18709 1 741 . 1 1 60 60 GLU C C 13 181.322 0.000 . 1 . . . A 60 GLU C . 18709 1 742 . 1 1 60 60 GLU CA C 13 59.269 0.014 . 1 . . . A 60 GLU CA . 18709 1 743 . 1 1 60 60 GLU CB C 13 28.860 0.085 . 1 . . . A 60 GLU CB . 18709 1 744 . 1 1 60 60 GLU CG C 13 35.921 0.032 . 1 . . . A 60 GLU CG . 18709 1 745 . 1 1 60 60 GLU N N 15 121.775 0.029 . 1 . . . A 60 GLU N . 18709 1 746 . 1 1 61 61 ASP H H 1 8.607 0.004 . 1 . . . A 61 ASP H . 18709 1 747 . 1 1 61 61 ASP HA H 1 4.446 0.001 . 1 . . . A 61 ASP HA . 18709 1 748 . 1 1 61 61 ASP HB2 H 1 2.587 0.009 . 2 . . . A 61 ASP HB2 . 18709 1 749 . 1 1 61 61 ASP HB3 H 1 2.771 0.000 . 2 . . . A 61 ASP HB3 . 18709 1 750 . 1 1 61 61 ASP C C 13 180.889 0.000 . 1 . . . A 61 ASP C . 18709 1 751 . 1 1 61 61 ASP CA C 13 57.675 0.004 . 1 . . . A 61 ASP CA . 18709 1 752 . 1 1 61 61 ASP CB C 13 39.619 0.040 . 1 . . . A 61 ASP CB . 18709 1 753 . 1 1 61 61 ASP N N 15 120.932 0.042 . 1 . . . A 61 ASP N . 18709 1 754 . 1 1 62 62 MET H H 1 7.380 0.002 . 1 . . . A 62 MET H . 18709 1 755 . 1 1 62 62 MET HA H 1 3.786 0.000 . 1 . . . A 62 MET HA . 18709 1 756 . 1 1 62 62 MET HB2 H 1 0.495 0.001 . 2 . . . A 62 MET HB2 . 18709 1 757 . 1 1 62 62 MET HB3 H 1 1.698 0.000 . 2 . . . A 62 MET HB3 . 18709 1 758 . 1 1 62 62 MET HG2 H 1 2.208 0.000 . 2 . . . A 62 MET HG2 . 18709 1 759 . 1 1 62 62 MET HG3 H 1 2.668 0.000 . 2 . . . A 62 MET HG3 . 18709 1 760 . 1 1 62 62 MET HE1 H 1 1.915 0.000 . 1 . . . A 62 MET HE1 . 18709 1 761 . 1 1 62 62 MET HE2 H 1 1.915 0.000 . 1 . . . A 62 MET HE2 . 18709 1 762 . 1 1 62 62 MET HE3 H 1 1.915 0.000 . 1 . . . A 62 MET HE3 . 18709 1 763 . 1 1 62 62 MET C C 13 179.675 0.000 . 1 . . . A 62 MET C . 18709 1 764 . 1 1 62 62 MET CA C 13 59.350 0.003 . 1 . . . A 62 MET CA . 18709 1 765 . 1 1 62 62 MET CB C 13 31.752 0.192 . 1 . . . A 62 MET CB . 18709 1 766 . 1 1 62 62 MET CG C 13 32.313 0.076 . 1 . . . A 62 MET CG . 18709 1 767 . 1 1 62 62 MET CE C 13 17.957 0.000 . 1 . . . A 62 MET CE . 18709 1 768 . 1 1 62 62 MET N N 15 120.526 0.008 . 1 . . . A 62 MET N . 18709 1 769 . 1 1 63 63 ALA H H 1 7.993 0.006 . 1 . . . A 63 ALA H . 18709 1 770 . 1 1 63 63 ALA HA H 1 4.384 0.007 . 1 . . . A 63 ALA HA . 18709 1 771 . 1 1 63 63 ALA HB1 H 1 1.780 0.001 . 1 . . . A 63 ALA HB1 . 18709 1 772 . 1 1 63 63 ALA HB2 H 1 1.780 0.001 . 1 . . . A 63 ALA HB2 . 18709 1 773 . 1 1 63 63 ALA HB3 H 1 1.780 0.001 . 1 . . . A 63 ALA HB3 . 18709 1 774 . 1 1 63 63 ALA C C 13 181.806 0.000 . 1 . . . A 63 ALA C . 18709 1 775 . 1 1 63 63 ALA CA C 13 55.498 0.056 . 1 . . . A 63 ALA CA . 18709 1 776 . 1 1 63 63 ALA CB C 13 18.506 0.028 . 1 . . . A 63 ALA CB . 18709 1 777 . 1 1 63 63 ALA N N 15 122.909 0.050 . 1 . . . A 63 ALA N . 18709 1 778 . 1 1 64 64 LYS H H 1 8.577 0.002 . 1 . . . A 64 LYS H . 18709 1 779 . 1 1 64 64 LYS HA H 1 4.131 0.000 . 1 . . . A 64 LYS HA . 18709 1 780 . 1 1 64 64 LYS HB2 H 1 2.016 0.000 . 1 . . . A 64 LYS HB2 . 18709 1 781 . 1 1 64 64 LYS HB3 H 1 2.016 0.000 . 1 . . . A 64 LYS HB3 . 18709 1 782 . 1 1 64 64 LYS HG2 H 1 1.501 0.001 . 2 . . . A 64 LYS HG2 . 18709 1 783 . 1 1 64 64 LYS HG3 H 1 1.712 0.001 . 2 . . . A 64 LYS HG3 . 18709 1 784 . 1 1 64 64 LYS HD2 H 1 1.755 0.017 . 1 . . . A 64 LYS HD2 . 18709 1 785 . 1 1 64 64 LYS HD3 H 1 1.755 0.017 . 1 . . . A 64 LYS HD3 . 18709 1 786 . 1 1 64 64 LYS HE2 H 1 3.025 0.000 . 1 . . . A 64 LYS HE2 . 18709 1 787 . 1 1 64 64 LYS HE3 H 1 3.025 0.000 . 1 . . . A 64 LYS HE3 . 18709 1 788 . 1 1 64 64 LYS C C 13 180.987 0.000 . 1 . . . A 64 LYS C . 18709 1 789 . 1 1 64 64 LYS CA C 13 60.097 0.025 . 1 . . . A 64 LYS CA . 18709 1 790 . 1 1 64 64 LYS CB C 13 32.576 0.041 . 1 . . . A 64 LYS CB . 18709 1 791 . 1 1 64 64 LYS CG C 13 25.427 0.005 . 1 . . . A 64 LYS CG . 18709 1 792 . 1 1 64 64 LYS CD C 13 29.668 0.000 . 1 . . . A 64 LYS CD . 18709 1 793 . 1 1 64 64 LYS CE C 13 42.069 0.000 . 1 . . . A 64 LYS CE . 18709 1 794 . 1 1 64 64 LYS N N 15 121.944 0.073 . 1 . . . A 64 LYS N . 18709 1 795 . 1 1 65 65 ALA H H 1 7.917 0.006 . 1 . . . A 65 ALA H . 18709 1 796 . 1 1 65 65 ALA HA H 1 4.297 0.006 . 1 . . . A 65 ALA HA . 18709 1 797 . 1 1 65 65 ALA HB1 H 1 1.556 0.012 . 1 . . . A 65 ALA HB1 . 18709 1 798 . 1 1 65 65 ALA HB2 H 1 1.556 0.012 . 1 . . . A 65 ALA HB2 . 18709 1 799 . 1 1 65 65 ALA HB3 H 1 1.556 0.012 . 1 . . . A 65 ALA HB3 . 18709 1 800 . 1 1 65 65 ALA C C 13 181.878 0.000 . 1 . . . A 65 ALA C . 18709 1 801 . 1 1 65 65 ALA CA C 13 54.788 0.043 . 1 . . . A 65 ALA CA . 18709 1 802 . 1 1 65 65 ALA CB C 13 17.725 0.033 . 1 . . . A 65 ALA CB . 18709 1 803 . 1 1 65 65 ALA N N 15 122.617 0.088 . 1 . . . A 65 ALA N . 18709 1 804 . 1 1 66 66 ASP H H 1 8.361 0.003 . 1 . . . A 66 ASP H . 18709 1 805 . 1 1 66 66 ASP HA H 1 4.937 0.001 . 1 . . . A 66 ASP HA . 18709 1 806 . 1 1 66 66 ASP HB2 H 1 3.116 0.006 . 2 . . . A 66 ASP HB2 . 18709 1 807 . 1 1 66 66 ASP HB3 H 1 3.141 0.012 . 2 . . . A 66 ASP HB3 . 18709 1 808 . 1 1 66 66 ASP C C 13 178.903 0.000 . 1 . . . A 66 ASP C . 18709 1 809 . 1 1 66 66 ASP CA C 13 57.464 0.020 . 1 . . . A 66 ASP CA . 18709 1 810 . 1 1 66 66 ASP CB C 13 42.815 0.026 . 1 . . . A 66 ASP CB . 18709 1 811 . 1 1 66 66 ASP N N 15 120.199 0.020 . 1 . . . A 66 ASP N . 18709 1 812 . 1 1 67 67 LYS H H 1 8.212 0.009 . 1 . . . A 67 LYS H . 18709 1 813 . 1 1 67 67 LYS HA H 1 4.066 0.004 . 1 . . . A 67 LYS HA . 18709 1 814 . 1 1 67 67 LYS HB2 H 1 1.998 0.013 . 2 . . . A 67 LYS HB2 . 18709 1 815 . 1 1 67 67 LYS HB3 H 1 2.128 0.016 . 2 . . . A 67 LYS HB3 . 18709 1 816 . 1 1 67 67 LYS HG2 H 1 1.492 0.000 . 1 . . . A 67 LYS HG2 . 18709 1 817 . 1 1 67 67 LYS HG3 H 1 1.492 0.000 . 1 . . . A 67 LYS HG3 . 18709 1 818 . 1 1 67 67 LYS HD2 H 1 1.777 0.000 . 1 . . . A 67 LYS HD2 . 18709 1 819 . 1 1 67 67 LYS HD3 H 1 1.777 0.000 . 1 . . . A 67 LYS HD3 . 18709 1 820 . 1 1 67 67 LYS HE2 H 1 3.097 0.000 . 1 . . . A 67 LYS HE2 . 18709 1 821 . 1 1 67 67 LYS HE3 H 1 3.097 0.000 . 1 . . . A 67 LYS HE3 . 18709 1 822 . 1 1 67 67 LYS C C 13 178.960 0.000 . 1 . . . A 67 LYS C . 18709 1 823 . 1 1 67 67 LYS CA C 13 59.765 0.011 . 1 . . . A 67 LYS CA . 18709 1 824 . 1 1 67 67 LYS CB C 13 32.476 0.002 . 1 . . . A 67 LYS CB . 18709 1 825 . 1 1 67 67 LYS CG C 13 25.066 0.000 . 1 . . . A 67 LYS CG . 18709 1 826 . 1 1 67 67 LYS CD C 13 30.029 0.000 . 1 . . . A 67 LYS CD . 18709 1 827 . 1 1 67 67 LYS CE C 13 42.406 0.000 . 1 . . . A 67 LYS CE . 18709 1 828 . 1 1 67 67 LYS N N 15 120.267 0.040 . 1 . . . A 67 LYS N . 18709 1 829 . 1 1 68 68 ALA H H 1 7.467 0.005 . 1 . . . A 68 ALA H . 18709 1 830 . 1 1 68 68 ALA HA H 1 4.306 0.008 . 1 . . . A 68 ALA HA . 18709 1 831 . 1 1 68 68 ALA HB1 H 1 1.563 0.017 . 1 . . . A 68 ALA HB1 . 18709 1 832 . 1 1 68 68 ALA HB2 H 1 1.563 0.017 . 1 . . . A 68 ALA HB2 . 18709 1 833 . 1 1 68 68 ALA HB3 H 1 1.563 0.017 . 1 . . . A 68 ALA HB3 . 18709 1 834 . 1 1 68 68 ALA C C 13 181.468 0.000 . 1 . . . A 68 ALA C . 18709 1 835 . 1 1 68 68 ALA CA C 13 54.828 0.090 . 1 . . . A 68 ALA CA . 18709 1 836 . 1 1 68 68 ALA CB C 13 17.809 0.018 . 1 . . . A 68 ALA CB . 18709 1 837 . 1 1 68 68 ALA N N 15 120.487 0.006 . 1 . . . A 68 ALA N . 18709 1 838 . 1 1 69 69 ARG H H 1 7.961 0.003 . 1 . . . A 69 ARG H . 18709 1 839 . 1 1 69 69 ARG HA H 1 4.078 0.000 . 1 . . . A 69 ARG HA . 18709 1 840 . 1 1 69 69 ARG HB2 H 1 2.055 0.000 . 2 . . . A 69 ARG HB2 . 18709 1 841 . 1 1 69 69 ARG HB3 H 1 2.517 0.000 . 2 . . . A 69 ARG HB3 . 18709 1 842 . 1 1 69 69 ARG HG2 H 1 1.413 0.000 . 2 . . . A 69 ARG HG2 . 18709 1 843 . 1 1 69 69 ARG HG3 H 1 1.495 0.000 . 2 . . . A 69 ARG HG3 . 18709 1 844 . 1 1 69 69 ARG C C 13 179.224 0.000 . 1 . . . A 69 ARG C . 18709 1 845 . 1 1 69 69 ARG CA C 13 59.241 0.079 . 1 . . . A 69 ARG CA . 18709 1 846 . 1 1 69 69 ARG CB C 13 27.453 0.051 . 1 . . . A 69 ARG CB . 18709 1 847 . 1 1 69 69 ARG CG C 13 24.897 0.000 . 1 . . . A 69 ARG CG . 18709 1 848 . 1 1 69 69 ARG N N 15 120.652 0.032 . 1 . . . A 69 ARG N . 18709 1 849 . 1 1 70 70 TYR H H 1 8.593 0.007 . 1 . . . A 70 TYR H . 18709 1 850 . 1 1 70 70 TYR HA H 1 3.992 0.014 . 1 . . . A 70 TYR HA . 18709 1 851 . 1 1 70 70 TYR HB2 H 1 3.083 0.005 . 2 . . . A 70 TYR HB2 . 18709 1 852 . 1 1 70 70 TYR HB3 H 1 3.184 0.000 . 2 . . . A 70 TYR HB3 . 18709 1 853 . 1 1 70 70 TYR HD1 H 1 7.211 0.000 . 3 . . . A 70 TYR HD1 . 18709 1 854 . 1 1 70 70 TYR HD2 H 1 7.211 0.000 . 3 . . . A 70 TYR HD2 . 18709 1 855 . 1 1 70 70 TYR HE1 H 1 6.807 0.000 . 3 . . . A 70 TYR HE1 . 18709 1 856 . 1 1 70 70 TYR HE2 H 1 6.807 0.000 . 3 . . . A 70 TYR HE2 . 18709 1 857 . 1 1 70 70 TYR C C 13 177.820 0.000 . 1 . . . A 70 TYR C . 18709 1 858 . 1 1 70 70 TYR CA C 13 62.371 0.014 . 1 . . . A 70 TYR CA . 18709 1 859 . 1 1 70 70 TYR CB C 13 39.347 0.040 . 1 . . . A 70 TYR CB . 18709 1 860 . 1 1 70 70 TYR CD1 C 13 133.423 0.000 . 3 . . . A 70 TYR CD1 . 18709 1 861 . 1 1 70 70 TYR CD2 C 13 133.423 0.000 . 3 . . . A 70 TYR CD2 . 18709 1 862 . 1 1 70 70 TYR CE1 C 13 118.235 0.000 . 3 . . . A 70 TYR CE1 . 18709 1 863 . 1 1 70 70 TYR CE2 C 13 118.235 0.000 . 3 . . . A 70 TYR CE2 . 18709 1 864 . 1 1 70 70 TYR N N 15 121.581 0.021 . 1 . . . A 70 TYR N . 18709 1 865 . 1 1 71 71 GLU H H 1 8.430 0.002 . 1 . . . A 71 GLU H . 18709 1 866 . 1 1 71 71 GLU HA H 1 3.779 0.000 . 1 . . . A 71 GLU HA . 18709 1 867 . 1 1 71 71 GLU HB2 H 1 2.058 0.000 . 2 . . . A 71 GLU HB2 . 18709 1 868 . 1 1 71 71 GLU HB3 H 1 2.152 0.000 . 2 . . . A 71 GLU HB3 . 18709 1 869 . 1 1 71 71 GLU HG2 H 1 2.407 0.000 . 2 . . . A 71 GLU HG2 . 18709 1 870 . 1 1 71 71 GLU HG3 H 1 2.744 0.000 . 2 . . . A 71 GLU HG3 . 18709 1 871 . 1 1 71 71 GLU C C 13 180.547 0.000 . 1 . . . A 71 GLU C . 18709 1 872 . 1 1 71 71 GLU CA C 13 59.386 0.014 . 1 . . . A 71 GLU CA . 18709 1 873 . 1 1 71 71 GLU CB C 13 29.274 0.037 . 1 . . . A 71 GLU CB . 18709 1 874 . 1 1 71 71 GLU CG C 13 37.062 0.031 . 1 . . . A 71 GLU CG . 18709 1 875 . 1 1 71 71 GLU N N 15 116.694 0.015 . 1 . . . A 71 GLU N . 18709 1 876 . 1 1 72 72 ARG H H 1 8.007 0.005 . 1 . . . A 72 ARG H . 18709 1 877 . 1 1 72 72 ARG HA H 1 4.105 0.008 . 1 . . . A 72 ARG HA . 18709 1 878 . 1 1 72 72 ARG HB2 H 1 2.020 0.001 . 1 . . . A 72 ARG HB2 . 18709 1 879 . 1 1 72 72 ARG HB3 H 1 2.020 0.001 . 1 . . . A 72 ARG HB3 . 18709 1 880 . 1 1 72 72 ARG HG2 H 1 1.638 0.000 . 2 . . . A 72 ARG HG2 . 18709 1 881 . 1 1 72 72 ARG HG3 H 1 1.758 0.000 . 2 . . . A 72 ARG HG3 . 18709 1 882 . 1 1 72 72 ARG HD2 H 1 3.274 0.000 . 1 . . . A 72 ARG HD2 . 18709 1 883 . 1 1 72 72 ARG HD3 H 1 3.274 0.000 . 1 . . . A 72 ARG HD3 . 18709 1 884 . 1 1 72 72 ARG C C 13 180.676 0.000 . 1 . . . A 72 ARG C . 18709 1 885 . 1 1 72 72 ARG CA C 13 59.398 0.012 . 1 . . . A 72 ARG CA . 18709 1 886 . 1 1 72 72 ARG CB C 13 30.058 0.044 . 1 . . . A 72 ARG CB . 18709 1 887 . 1 1 72 72 ARG CG C 13 27.342 0.042 . 1 . . . A 72 ARG CG . 18709 1 888 . 1 1 72 72 ARG CD C 13 43.445 0.000 . 1 . . . A 72 ARG CD . 18709 1 889 . 1 1 72 72 ARG N N 15 119.041 0.019 . 1 . . . A 72 ARG N . 18709 1 890 . 1 1 73 73 GLU H H 1 8.483 0.002 . 1 . . . A 73 GLU H . 18709 1 891 . 1 1 73 73 GLU HA H 1 4.020 0.018 . 1 . . . A 73 GLU HA . 18709 1 892 . 1 1 73 73 GLU HB2 H 1 1.637 0.000 . 2 . . . A 73 GLU HB2 . 18709 1 893 . 1 1 73 73 GLU HB3 H 1 2.056 0.036 . 2 . . . A 73 GLU HB3 . 18709 1 894 . 1 1 73 73 GLU HG2 H 1 2.163 0.000 . 2 . . . A 73 GLU HG2 . 18709 1 895 . 1 1 73 73 GLU HG3 H 1 2.648 0.000 . 2 . . . A 73 GLU HG3 . 18709 1 896 . 1 1 73 73 GLU C C 13 180.892 0.000 . 1 . . . A 73 GLU C . 18709 1 897 . 1 1 73 73 GLU CA C 13 59.356 0.118 . 1 . . . A 73 GLU CA . 18709 1 898 . 1 1 73 73 GLU CB C 13 27.460 0.053 . 1 . . . A 73 GLU CB . 18709 1 899 . 1 1 73 73 GLU CG C 13 37.627 0.016 . 1 . . . A 73 GLU CG . 18709 1 900 . 1 1 73 73 GLU N N 15 119.530 0.008 . 1 . . . A 73 GLU N . 18709 1 901 . 1 1 74 74 MET H H 1 8.449 0.002 . 1 . . . A 74 MET H . 18709 1 902 . 1 1 74 74 MET HA H 1 4.447 0.001 . 1 . . . A 74 MET HA . 18709 1 903 . 1 1 74 74 MET HB2 H 1 1.883 0.000 . 2 . . . A 74 MET HB2 . 18709 1 904 . 1 1 74 74 MET HB3 H 1 1.886 0.003 . 2 . . . A 74 MET HB3 . 18709 1 905 . 1 1 74 74 MET HG2 H 1 1.987 0.000 . 2 . . . A 74 MET HG2 . 18709 1 906 . 1 1 74 74 MET HG3 H 1 2.302 0.000 . 2 . . . A 74 MET HG3 . 18709 1 907 . 1 1 74 74 MET HE1 H 1 2.020 0.000 . 1 . . . A 74 MET HE1 . 18709 1 908 . 1 1 74 74 MET HE2 H 1 2.020 0.000 . 1 . . . A 74 MET HE2 . 18709 1 909 . 1 1 74 74 MET HE3 H 1 2.020 0.000 . 1 . . . A 74 MET HE3 . 18709 1 910 . 1 1 74 74 MET C C 13 179.791 0.000 . 1 . . . A 74 MET C . 18709 1 911 . 1 1 74 74 MET CA C 13 55.882 0.000 . 1 . . . A 74 MET CA . 18709 1 912 . 1 1 74 74 MET CB C 13 30.671 0.141 . 1 . . . A 74 MET CB . 18709 1 913 . 1 1 74 74 MET CG C 13 32.268 0.064 . 1 . . . A 74 MET CG . 18709 1 914 . 1 1 74 74 MET CE C 13 16.189 0.000 . 1 . . . A 74 MET CE . 18709 1 915 . 1 1 74 74 MET N N 15 117.100 0.006 . 1 . . . A 74 MET N . 18709 1 916 . 1 1 75 75 LYS H H 1 7.511 0.004 . 1 . . . A 75 LYS H . 18709 1 917 . 1 1 75 75 LYS HA H 1 4.182 0.005 . 1 . . . A 75 LYS HA . 18709 1 918 . 1 1 75 75 LYS HB2 H 1 1.993 0.015 . 1 . . . A 75 LYS HB2 . 18709 1 919 . 1 1 75 75 LYS HB3 H 1 1.993 0.015 . 1 . . . A 75 LYS HB3 . 18709 1 920 . 1 1 75 75 LYS HG2 H 1 1.557 0.000 . 2 . . . A 75 LYS HG2 . 18709 1 921 . 1 1 75 75 LYS HG3 H 1 1.705 0.000 . 2 . . . A 75 LYS HG3 . 18709 1 922 . 1 1 75 75 LYS HD2 H 1 1.705 0.000 . 1 . . . A 75 LYS HD2 . 18709 1 923 . 1 1 75 75 LYS HE2 H 1 2.979 0.000 . 1 . . . A 75 LYS HE2 . 18709 1 924 . 1 1 75 75 LYS HE3 H 1 2.979 0.000 . 1 . . . A 75 LYS HE3 . 18709 1 925 . 1 1 75 75 LYS C C 13 179.046 0.000 . 1 . . . A 75 LYS C . 18709 1 926 . 1 1 75 75 LYS CA C 13 58.633 0.042 . 1 . . . A 75 LYS CA . 18709 1 927 . 1 1 75 75 LYS CB C 13 32.531 0.090 . 1 . . . A 75 LYS CB . 18709 1 928 . 1 1 75 75 LYS CG C 13 25.128 0.000 . 1 . . . A 75 LYS CG . 18709 1 929 . 1 1 75 75 LYS CD C 13 29.187 0.000 . 1 . . . A 75 LYS CD . 18709 1 930 . 1 1 75 75 LYS CE C 13 42.003 0.000 . 1 . . . A 75 LYS CE . 18709 1 931 . 1 1 75 75 LYS N N 15 118.484 0.045 . 1 . . . A 75 LYS N . 18709 1 932 . 1 1 76 76 THR H H 1 7.337 0.006 . 1 . . . A 76 THR H . 18709 1 933 . 1 1 76 76 THR HA H 1 4.391 0.004 . 1 . . . A 76 THR HA . 18709 1 934 . 1 1 76 76 THR HB H 1 4.441 0.000 . 1 . . . A 76 THR HB . 18709 1 935 . 1 1 76 76 THR HG21 H 1 1.203 0.000 . 1 . . . A 76 THR HG21 . 18709 1 936 . 1 1 76 76 THR HG22 H 1 1.203 0.000 . 1 . . . A 76 THR HG22 . 18709 1 937 . 1 1 76 76 THR HG23 H 1 1.203 0.000 . 1 . . . A 76 THR HG23 . 18709 1 938 . 1 1 76 76 THR C C 13 175.182 0.000 . 1 . . . A 76 THR C . 18709 1 939 . 1 1 76 76 THR CA C 13 61.352 0.000 . 1 . . . A 76 THR CA . 18709 1 940 . 1 1 76 76 THR CB C 13 69.207 0.082 . 1 . . . A 76 THR CB . 18709 1 941 . 1 1 76 76 THR CG2 C 13 21.693 0.009 . 1 . . . A 76 THR CG2 . 18709 1 942 . 1 1 76 76 THR N N 15 106.656 0.093 . 1 . . . A 76 THR N . 18709 1 943 . 1 1 77 77 TYR H H 1 7.495 0.005 . 1 . . . A 77 TYR H . 18709 1 944 . 1 1 77 77 TYR HA H 1 4.532 0.004 . 1 . . . A 77 TYR HA . 18709 1 945 . 1 1 77 77 TYR HB2 H 1 2.952 0.004 . 2 . . . A 77 TYR HB2 . 18709 1 946 . 1 1 77 77 TYR HB3 H 1 3.077 0.004 . 2 . . . A 77 TYR HB3 . 18709 1 947 . 1 1 77 77 TYR HD1 H 1 7.087 0.000 . 3 . . . A 77 TYR HD1 . 18709 1 948 . 1 1 77 77 TYR HD2 H 1 7.087 0.000 . 3 . . . A 77 TYR HD2 . 18709 1 949 . 1 1 77 77 TYR HE1 H 1 6.739 0.000 . 3 . . . A 77 TYR HE1 . 18709 1 950 . 1 1 77 77 TYR HE2 H 1 6.739 0.000 . 3 . . . A 77 TYR HE2 . 18709 1 951 . 1 1 77 77 TYR C C 13 175.532 0.000 . 1 . . . A 77 TYR C . 18709 1 952 . 1 1 77 77 TYR CA C 13 58.388 0.055 . 1 . . . A 77 TYR CA . 18709 1 953 . 1 1 77 77 TYR CB C 13 39.105 0.033 . 1 . . . A 77 TYR CB . 18709 1 954 . 1 1 77 77 TYR CD1 C 13 133.223 0.000 . 3 . . . A 77 TYR CD1 . 18709 1 955 . 1 1 77 77 TYR CD2 C 13 133.223 0.000 . 3 . . . A 77 TYR CD2 . 18709 1 956 . 1 1 77 77 TYR CE1 C 13 117.660 0.000 . 3 . . . A 77 TYR CE1 . 18709 1 957 . 1 1 77 77 TYR CE2 C 13 117.660 0.000 . 3 . . . A 77 TYR CE2 . 18709 1 958 . 1 1 77 77 TYR N N 15 123.458 0.037 . 1 . . . A 77 TYR N . 18709 1 959 . 1 1 78 78 ILE H H 1 7.782 0.003 . 1 . . . A 78 ILE H . 18709 1 960 . 1 1 78 78 ILE HA H 1 4.289 0.008 . 1 . . . A 78 ILE HA . 18709 1 961 . 1 1 78 78 ILE HB H 1 1.666 0.011 . 1 . . . A 78 ILE HB . 18709 1 962 . 1 1 78 78 ILE HG12 H 1 1.024 0.000 . 2 . . . A 78 ILE HG12 . 18709 1 963 . 1 1 78 78 ILE HG13 H 1 1.439 0.000 . 2 . . . A 78 ILE HG13 . 18709 1 964 . 1 1 78 78 ILE HG21 H 1 0.801 0.000 . 1 . . . A 78 ILE HG21 . 18709 1 965 . 1 1 78 78 ILE HG22 H 1 0.801 0.000 . 1 . . . A 78 ILE HG22 . 18709 1 966 . 1 1 78 78 ILE HG23 H 1 0.801 0.000 . 1 . . . A 78 ILE HG23 . 18709 1 967 . 1 1 78 78 ILE HD11 H 1 0.799 0.002 . 1 . . . A 78 ILE HD11 . 18709 1 968 . 1 1 78 78 ILE HD12 H 1 0.799 0.002 . 1 . . . A 78 ILE HD12 . 18709 1 969 . 1 1 78 78 ILE HD13 H 1 0.799 0.002 . 1 . . . A 78 ILE HD13 . 18709 1 970 . 1 1 78 78 ILE CA C 13 57.281 0.081 . 1 . . . A 78 ILE CA . 18709 1 971 . 1 1 78 78 ILE CB C 13 39.063 0.040 . 1 . . . A 78 ILE CB . 18709 1 972 . 1 1 78 78 ILE CG1 C 13 26.694 0.009 . 1 . . . A 78 ILE CG1 . 18709 1 973 . 1 1 78 78 ILE CG2 C 13 16.899 0.000 . 1 . . . A 78 ILE CG2 . 18709 1 974 . 1 1 78 78 ILE CD1 C 13 12.539 0.000 . 1 . . . A 78 ILE CD1 . 18709 1 975 . 1 1 78 78 ILE N N 15 128.921 0.030 . 1 . . . A 78 ILE N . 18709 1 976 . 1 1 79 79 PRO HA H 1 4.417 0.009 . 1 . . . A 79 PRO HA . 18709 1 977 . 1 1 79 79 PRO HB2 H 1 1.905 0.000 . 2 . . . A 79 PRO HB2 . 18709 1 978 . 1 1 79 79 PRO HB3 H 1 2.350 0.010 . 2 . . . A 79 PRO HB3 . 18709 1 979 . 1 1 79 79 PRO HG2 H 1 1.986 0.000 . 2 . . . A 79 PRO HG2 . 18709 1 980 . 1 1 79 79 PRO HG3 H 1 2.044 0.000 . 2 . . . A 79 PRO HG3 . 18709 1 981 . 1 1 79 79 PRO HD2 H 1 3.512 0.012 . 2 . . . A 79 PRO HD2 . 18709 1 982 . 1 1 79 79 PRO HD3 H 1 3.597 0.012 . 2 . . . A 79 PRO HD3 . 18709 1 983 . 1 1 79 79 PRO CA C 13 61.034 0.045 . 1 . . . A 79 PRO CA . 18709 1 984 . 1 1 79 79 PRO CB C 13 30.895 0.032 . 1 . . . A 79 PRO CB . 18709 1 985 . 1 1 79 79 PRO CG C 13 27.223 0.002 . 1 . . . A 79 PRO CG . 18709 1 986 . 1 1 79 79 PRO CD C 13 50.744 0.013 . 1 . . . A 79 PRO CD . 18709 1 987 . 1 1 80 80 PRO HA H 1 4.408 0.006 . 1 . . . A 80 PRO HA . 18709 1 988 . 1 1 80 80 PRO HB2 H 1 1.904 0.006 . 2 . . . A 80 PRO HB2 . 18709 1 989 . 1 1 80 80 PRO HB3 H 1 2.297 0.003 . 2 . . . A 80 PRO HB3 . 18709 1 990 . 1 1 80 80 PRO HG2 H 1 2.019 0.009 . 1 . . . A 80 PRO HG2 . 18709 1 991 . 1 1 80 80 PRO HG3 H 1 2.019 0.009 . 1 . . . A 80 PRO HG3 . 18709 1 992 . 1 1 80 80 PRO HD2 H 1 3.628 0.009 . 2 . . . A 80 PRO HD2 . 18709 1 993 . 1 1 80 80 PRO HD3 H 1 3.859 0.008 . 2 . . . A 80 PRO HD3 . 18709 1 994 . 1 1 80 80 PRO C C 13 178.001 0.000 . 1 . . . A 80 PRO C . 18709 1 995 . 1 1 80 80 PRO CA C 13 62.759 0.082 . 1 . . . A 80 PRO CA . 18709 1 996 . 1 1 80 80 PRO CB C 13 32.112 0.046 . 1 . . . A 80 PRO CB . 18709 1 997 . 1 1 80 80 PRO CG C 13 27.410 0.012 . 1 . . . A 80 PRO CG . 18709 1 998 . 1 1 80 80 PRO CD C 13 50.591 0.045 . 1 . . . A 80 PRO CD . 18709 1 999 . 1 1 81 81 LYS H H 1 8.396 0.003 . 1 . . . A 81 LYS H . 18709 1 1000 . 1 1 81 81 LYS HA H 1 4.276 0.009 . 1 . . . A 81 LYS HA . 18709 1 1001 . 1 1 81 81 LYS HB2 H 1 1.809 0.006 . 2 . . . A 81 LYS HB2 . 18709 1 1002 . 1 1 81 81 LYS HB3 H 1 1.813 0.000 . 2 . . . A 81 LYS HB3 . 18709 1 1003 . 1 1 81 81 LYS HG2 H 1 1.460 0.000 . 1 . . . A 81 LYS HG2 . 18709 1 1004 . 1 1 81 81 LYS HG3 H 1 1.460 0.000 . 1 . . . A 81 LYS HG3 . 18709 1 1005 . 1 1 81 81 LYS HD2 H 1 1.698 0.000 . 1 . . . A 81 LYS HD2 . 18709 1 1006 . 1 1 81 81 LYS HD3 H 1 1.698 0.000 . 1 . . . A 81 LYS HD3 . 18709 1 1007 . 1 1 81 81 LYS HE2 H 1 3.025 0.000 . 1 . . . A 81 LYS HE2 . 18709 1 1008 . 1 1 81 81 LYS HE3 H 1 3.025 0.000 . 1 . . . A 81 LYS HE3 . 18709 1 1009 . 1 1 81 81 LYS C C 13 178.331 0.000 . 1 . . . A 81 LYS C . 18709 1 1010 . 1 1 81 81 LYS CA C 13 56.655 0.067 . 1 . . . A 81 LYS CA . 18709 1 1011 . 1 1 81 81 LYS CB C 13 33.123 0.010 . 1 . . . A 81 LYS CB . 18709 1 1012 . 1 1 81 81 LYS CG C 13 24.643 0.000 . 1 . . . A 81 LYS CG . 18709 1 1013 . 1 1 81 81 LYS CD C 13 29.078 0.080 . 1 . . . A 81 LYS CD . 18709 1 1014 . 1 1 81 81 LYS CE C 13 42.151 0.004 . 1 . . . A 81 LYS CE . 18709 1 1015 . 1 1 81 81 LYS N N 15 121.427 0.035 . 1 . . . A 81 LYS N . 18709 1 1016 . 1 1 82 82 GLY H H 1 8.455 0.003 . 1 . . . A 82 GLY H . 18709 1 1017 . 1 1 82 82 GLY HA2 H 1 3.949 0.000 . 1 . . . A 82 GLY HA2 . 18709 1 1018 . 1 1 82 82 GLY HA3 H 1 3.949 0.000 . 1 . . . A 82 GLY HA3 . 18709 1 1019 . 1 1 82 82 GLY C C 13 174.296 0.000 . 1 . . . A 82 GLY C . 18709 1 1020 . 1 1 82 82 GLY CA C 13 45.326 0.000 . 1 . . . A 82 GLY CA . 18709 1 1021 . 1 1 82 82 GLY N N 15 110.760 0.011 . 1 . . . A 82 GLY N . 18709 1 1022 . 1 1 83 83 GLU H H 1 7.885 0.002 . 1 . . . A 83 GLU H . 18709 1 1023 . 1 1 83 83 GLU HA H 1 4.156 0.002 . 1 . . . A 83 GLU HA . 18709 1 1024 . 1 1 83 83 GLU HB2 H 1 2.079 0.014 . 1 . . . A 83 GLU HB2 . 18709 1 1025 . 1 1 83 83 GLU HB3 H 1 1.869 0.008 . 1 . . . A 83 GLU HB3 . 18709 1 1026 . 1 1 83 83 GLU HG2 H 1 2.181 0.005 . 1 . . . A 83 GLU HG2 . 18709 1 1027 . 1 1 83 83 GLU HG3 H 1 2.181 0.005 . 1 . . . A 83 GLU HG3 . 18709 1 1028 . 1 1 83 83 GLU CA C 13 57.854 0.057 . 1 . . . A 83 GLU CA . 18709 1 1029 . 1 1 83 83 GLU CB C 13 31.219 0.108 . 1 . . . A 83 GLU CB . 18709 1 1030 . 1 1 83 83 GLU CG C 13 36.701 0.000 . 1 . . . A 83 GLU CG . 18709 1 1031 . 1 1 83 83 GLU N N 15 125.324 0.025 . 1 . . . A 83 GLU N . 18709 1 1032 . 2 2 1 1 MET HA H 1 4.442 0.013 . 1 . . . . 1 Met HA . 18709 1 1033 . 2 2 1 1 MET HB2 H 1 2.013 0.013 . 2 . . . . 1 Met HB2 . 18709 1 1034 . 2 2 1 1 MET HB3 H 1 2.516 0.002 . 2 . . . . 1 Met HB3 . 18709 1 1035 . 2 2 1 1 MET HG2 H 1 2.507 0.000 . 1 . . . . 1 Met HG2 . 18709 1 1036 . 2 2 1 1 MET C C 13 175.517 0.000 . 1 . . . . 1 Met C . 18709 1 1037 . 2 2 1 1 MET CA C 13 55.540 0.066 . 1 . . . . 1 Met CA . 18709 1 1038 . 2 2 1 1 MET CB C 13 32.043 0.184 . 1 . . . . 1 Met CB . 18709 1 1039 . 2 2 2 2 GLU H H 1 8.652 0.011 . 1 . . . . 2 Glu H . 18709 1 1040 . 2 2 2 2 GLU HA H 1 4.293 0.003 . 1 . . . . 2 Glu HA . 18709 1 1041 . 2 2 2 2 GLU HB2 H 1 1.954 0.027 . 2 . . . . 2 Glu HB2 . 18709 1 1042 . 2 2 2 2 GLU HB3 H 1 2.039 0.002 . 2 . . . . 2 Glu HB3 . 18709 1 1043 . 2 2 2 2 GLU HG2 H 1 2.246 0.021 . 2 . . . . 2 Glu HG2 . 18709 1 1044 . 2 2 2 2 GLU HG3 H 1 2.277 0.000 . 2 . . . . 2 Glu HG3 . 18709 1 1045 . 2 2 2 2 GLU C C 13 176.141 0.000 . 1 . . . . 2 Glu C . 18709 1 1046 . 2 2 2 2 GLU CA C 13 56.472 0.041 . 1 . . . . 2 Glu CA . 18709 1 1047 . 2 2 2 2 GLU CB C 13 30.302 0.109 . 1 . . . . 2 Glu CB . 18709 1 1048 . 2 2 2 2 GLU CG C 13 36.304 0.023 . 1 . . . . 2 Glu CG . 18709 1 1049 . 2 2 2 2 GLU N N 15 122.378 0.024 . 1 . . . . 2 Glu N . 18709 1 1050 . 2 2 3 3 GLU H H 1 8.462 0.005 . 1 . . . . 3 Glu H . 18709 1 1051 . 2 2 3 3 GLU HA H 1 4.576 0.005 . 1 . . . . 3 Glu HA . 18709 1 1052 . 2 2 3 3 GLU HB2 H 1 1.891 0.011 . 2 . . . . 3 Glu HB2 . 18709 1 1053 . 2 2 3 3 GLU HB3 H 1 2.028 0.005 . 2 . . . . 3 Glu HB3 . 18709 1 1054 . 2 2 3 3 GLU HG2 H 1 2.290 0.000 . 1 . . . . 3 Glu HG2 . 18709 1 1055 . 2 2 3 3 GLU CA C 13 54.349 0.024 . 1 . . . . 3 Glu CA . 18709 1 1056 . 2 2 3 3 GLU CB C 13 29.930 0.024 . 1 . . . . 3 Glu CB . 18709 1 1057 . 2 2 3 3 GLU CG C 13 36.285 0.000 . 1 . . . . 3 Glu CG . 18709 1 1058 . 2 2 3 3 GLU N N 15 123.125 0.016 . 1 . . . . 3 Glu N . 18709 1 1059 . 2 2 4 4 PRO HA H 1 4.414 0.011 . 1 . . . . 4 Pro HA . 18709 1 1060 . 2 2 4 4 PRO HB2 H 1 1.902 0.002 . 2 . . . . 4 Pro HB2 . 18709 1 1061 . 2 2 4 4 PRO HB3 H 1 2.290 0.007 . 2 . . . . 4 Pro HB3 . 18709 1 1062 . 2 2 4 4 PRO HG2 H 1 2.003 0.032 . 1 . . . . 4 Pro HG2 . 18709 1 1063 . 2 2 4 4 PRO HD2 H 1 3.672 0.000 . 2 . . . . 4 Pro HD2 . 18709 1 1064 . 2 2 4 4 PRO HD3 H 1 3.790 0.027 . 2 . . . . 4 Pro HD3 . 18709 1 1065 . 2 2 4 4 PRO C C 13 177.015 0.000 . 1 . . . . 4 Pro C . 18709 1 1066 . 2 2 4 4 PRO CA C 13 63.015 0.078 . 1 . . . . 4 Pro CA . 18709 1 1067 . 2 2 4 4 PRO CB C 13 32.077 0.016 . 1 . . . . 4 Pro CB . 18709 1 1068 . 2 2 4 4 PRO CG C 13 27.292 0.016 . 1 . . . . 4 Pro CG . 18709 1 1069 . 2 2 4 4 PRO CD C 13 50.685 0.013 . 1 . . . . 4 Pro CD . 18709 1 1070 . 2 2 5 5 GLN H H 1 8.566 0.006 . 1 . . . . 5 Gln H . 18709 1 1071 . 2 2 5 5 GLN HA H 1 4.351 0.009 . 1 . . . . 5 Gln HA . 18709 1 1072 . 2 2 5 5 GLN HB2 H 1 2.050 0.044 . 2 . . . . 5 Gln HB2 . 18709 1 1073 . 2 2 5 5 GLN HB3 H 1 2.119 0.004 . 2 . . . . 5 Gln HB3 . 18709 1 1074 . 2 2 5 5 GLN HG2 H 1 2.385 0.025 . 1 . . . . 5 Gln HG2 . 18709 1 1075 . 2 2 5 5 GLN HE21 H 1 6.896 0.000 . 1 . . . . 5 Gln HE21 . 18709 1 1076 . 2 2 5 5 GLN HE22 H 1 7.612 0.000 . 1 . . . . 5 Gln HE22 . 18709 1 1077 . 2 2 5 5 GLN C C 13 175.982 0.000 . 1 . . . . 5 Gln C . 18709 1 1078 . 2 2 5 5 GLN CA C 13 55.581 0.002 . 1 . . . . 5 Gln CA . 18709 1 1079 . 2 2 5 5 GLN CB C 13 29.622 0.106 . 1 . . . . 5 Gln CB . 18709 1 1080 . 2 2 5 5 GLN CG C 13 33.902 0.022 . 1 . . . . 5 Gln CG . 18709 1 1081 . 2 2 5 5 GLN N N 15 120.568 0.027 . 1 . . . . 5 Gln N . 18709 1 1082 . 2 2 5 5 GLN NE2 N 15 112.661 0.001 . 1 . . . . 5 Gln NE2 . 18709 1 1083 . 2 2 6 6 SER H H 1 8.393 0.005 . 1 . . . . 6 Ser H . 18709 1 1084 . 2 2 6 6 SER HA H 1 4.434 0.005 . 1 . . . . 6 Ser HA . 18709 1 1085 . 2 2 6 6 SER HB2 H 1 3.826 0.002 . 2 . . . . 6 Ser HB2 . 18709 1 1086 . 2 2 6 6 SER HB3 H 1 3.867 0.001 . 2 . . . . 6 Ser HB3 . 18709 1 1087 . 2 2 6 6 SER C C 13 173.295 0.000 . 1 . . . . 6 Ser C . 18709 1 1088 . 2 2 6 6 SER CA C 13 58.268 0.090 . 1 . . . . 6 Ser CA . 18709 1 1089 . 2 2 6 6 SER CB C 13 64.022 0.003 . 1 . . . . 6 Ser CB . 18709 1 1090 . 2 2 6 6 SER N N 15 117.321 0.010 . 1 . . . . 6 Ser N . 18709 1 1091 . 2 2 7 7 ASP H H 1 8.446 0.005 . 1 . . . . 7 Asp H . 18709 1 1092 . 2 2 7 7 ASP HA H 1 4.912 0.010 . 1 . . . . 7 Asp HA . 18709 1 1093 . 2 2 7 7 ASP HB2 H 1 2.543 0.010 . 2 . . . . 7 Asp HB2 . 18709 1 1094 . 2 2 7 7 ASP HB3 H 1 2.786 0.005 . 2 . . . . 7 Asp HB3 . 18709 1 1095 . 2 2 7 7 ASP CA C 13 52.187 0.042 . 1 . . . . 7 Asp CA . 18709 1 1096 . 2 2 7 7 ASP CB C 13 41.286 0.021 . 1 . . . . 7 Asp CB . 18709 1 1097 . 2 2 7 7 ASP N N 15 123.218 0.033 . 1 . . . . 7 Asp N . 18709 1 1098 . 2 2 8 8 PRO HA H 1 4.448 0.013 . 1 . . . . 8 Pro HA . 18709 1 1099 . 2 2 8 8 PRO HB2 H 1 1.902 0.003 . 2 . . . . 8 Pro HB2 . 18709 1 1100 . 2 2 8 8 PRO HB3 H 1 2.280 0.011 . 2 . . . . 8 Pro HB3 . 18709 1 1101 . 2 2 8 8 PRO HG2 H 1 2.010 0.000 . 1 . . . . 8 Pro HG2 . 18709 1 1102 . 2 2 8 8 PRO HD2 H 1 3.677 0.000 . 2 . . . . 8 Pro HD2 . 18709 1 1103 . 2 2 8 8 PRO HD3 H 1 3.834 0.012 . 2 . . . . 8 Pro HD3 . 18709 1 1104 . 2 2 8 8 PRO C C 13 177.287 0.000 . 1 . . . . 8 Pro C . 18709 1 1105 . 2 2 8 8 PRO CA C 13 63.379 0.091 . 1 . . . . 8 Pro CA . 18709 1 1106 . 2 2 8 8 PRO CB C 13 32.062 0.064 . 1 . . . . 8 Pro CB . 18709 1 1107 . 2 2 8 8 PRO CG C 13 27.004 0.000 . 1 . . . . 8 Pro CG . 18709 1 1108 . 2 2 8 8 PRO CD C 13 50.815 0.001 . 1 . . . . 8 Pro CD . 18709 1 1109 . 2 2 9 9 SER H H 1 8.533 0.004 . 1 . . . . 9 Ser H . 18709 1 1110 . 2 2 9 9 SER HA H 1 4.397 0.004 . 1 . . . . 9 Ser HA . 18709 1 1111 . 2 2 9 9 SER HB2 H 1 3.890 0.005 . 1 . . . . 9 Ser HB2 . 18709 1 1112 . 2 2 9 9 SER C C 13 174.237 0.000 . 1 . . . . 9 Ser C . 18709 1 1113 . 2 2 9 9 SER CA C 13 58.940 0.000 . 1 . . . . 9 Ser CA . 18709 1 1114 . 2 2 9 9 SER CB C 13 63.720 0.073 . 1 . . . . 9 Ser CB . 18709 1 1115 . 2 2 9 9 SER N N 15 115.588 0.012 . 1 . . . . 9 Ser N . 18709 1 1116 . 2 2 10 10 VAL H H 1 7.871 0.004 . 1 . . . . 10 Val H . 18709 1 1117 . 2 2 10 10 VAL HA H 1 4.184 0.003 . 1 . . . . 10 Val HA . 18709 1 1118 . 2 2 10 10 VAL HB H 1 2.114 0.004 . 1 . . . . 10 Val HB . 18709 1 1119 . 2 2 10 10 VAL HG11 H 1 0.922 0.002 . 2 . . . . 10 Val HG11 . 18709 1 1120 . 2 2 10 10 VAL HG12 H 1 0.922 0.002 . 2 . . . . 10 Val HG12 . 18709 1 1121 . 2 2 10 10 VAL HG13 H 1 0.922 0.002 . 2 . . . . 10 Val HG13 . 18709 1 1122 . 2 2 10 10 VAL HG21 H 1 0.924 0.001 . 2 . . . . 10 Val HG21 . 18709 1 1123 . 2 2 10 10 VAL HG22 H 1 0.924 0.001 . 2 . . . . 10 Val HG22 . 18709 1 1124 . 2 2 10 10 VAL HG23 H 1 0.924 0.001 . 2 . . . . 10 Val HG23 . 18709 1 1125 . 2 2 10 10 VAL C C 13 175.758 0.000 . 1 . . . . 10 Val C . 18709 1 1126 . 2 2 10 10 VAL CA C 13 61.842 0.002 . 1 . . . . 10 Val CA . 18709 1 1127 . 2 2 10 10 VAL CB C 13 32.897 0.023 . 1 . . . . 10 Val CB . 18709 1 1128 . 2 2 10 10 VAL CG1 C 13 20.795 0.015 . 2 . . . . 10 Val CG1 . 18709 1 1129 . 2 2 10 10 VAL CG2 C 13 20.810 0.006 . 2 . . . . 10 Val CG2 . 18709 1 1130 . 2 2 10 10 VAL N N 15 120.621 0.015 . 1 . . . . 10 Val N . 18709 1 1131 . 2 2 11 11 GLU H H 1 8.341 0.006 . 1 . . . . 11 Glu H . 18709 1 1132 . 2 2 11 11 GLU HA H 1 4.575 0.000 . 1 . . . . 11 Glu HA . 18709 1 1133 . 2 2 11 11 GLU HB2 H 1 1.890 0.000 . 2 . . . . 11 Glu HB2 . 18709 1 1134 . 2 2 11 11 GLU HB3 H 1 2.035 0.000 . 2 . . . . 11 Glu HB3 . 18709 1 1135 . 2 2 11 11 GLU HG2 H 1 2.288 0.000 . 1 . . . . 11 Glu HG2 . 18709 1 1136 . 2 2 11 11 GLU CA C 13 54.259 0.048 . 1 . . . . 11 Glu CA . 18709 1 1137 . 2 2 11 11 GLU CB C 13 29.914 0.028 . 1 . . . . 11 Glu CB . 18709 1 1138 . 2 2 11 11 GLU CG C 13 35.952 0.000 . 1 . . . . 11 Glu CG . 18709 1 1139 . 2 2 11 11 GLU N N 15 125.690 0.031 . 1 . . . . 11 Glu N . 18709 1 1140 . 2 2 12 12 PRO HD2 H 1 3.866 0.000 . 1 . . . . 12 Pro HD2 . 18709 1 1141 . 2 2 12 12 PRO HD3 H 1 3.866 0.000 . 1 . . . . 12 Pro HD3 . 18709 1 1142 . 2 2 13 13 PRO HA H 1 4.445 0.000 . 1 . . . . 13 Pro HA . 18709 1 1143 . 2 2 13 13 PRO HB2 H 1 1.902 0.000 . 2 . . . . 13 Pro HB2 . 18709 1 1144 . 2 2 13 13 PRO HB3 H 1 2.289 0.000 . 2 . . . . 13 Pro HB3 . 18709 1 1145 . 2 2 13 13 PRO HG2 H 1 1.981 0.000 . 1 . . . . 13 Pro HG2 . 18709 1 1146 . 2 2 13 13 PRO HD2 H 1 3.628 0.000 . 2 . . . . 13 Pro HD2 . 18709 1 1147 . 2 2 13 13 PRO HD3 H 1 3.797 0.000 . 2 . . . . 13 Pro HD3 . 18709 1 1148 . 2 2 13 13 PRO C C 13 177.111 0.000 . 1 . . . . 13 Pro C . 18709 1 1149 . 2 2 13 13 PRO CA C 13 62.744 0.000 . 1 . . . . 13 Pro CA . 18709 1 1150 . 2 2 13 13 PRO CB C 13 31.976 0.013 . 1 . . . . 13 Pro CB . 18709 1 1151 . 2 2 13 13 PRO CG C 13 27.287 0.000 . 1 . . . . 13 Pro CG . 18709 1 1152 . 2 2 13 13 PRO CD C 13 50.382 0.000 . 1 . . . . 13 Pro CD . 18709 1 1153 . 2 2 14 14 LEU H H 1 8.353 0.005 . 1 . . . B 14 LEU H . 18709 1 1154 . 2 2 14 14 LEU HA H 1 4.323 0.004 . 1 . . . B 14 LEU HA . 18709 1 1155 . 2 2 14 14 LEU HB2 H 1 1.584 0.000 . 2 . . . B 14 LEU HB2 . 18709 1 1156 . 2 2 14 14 LEU HB3 H 1 1.636 0.012 . 2 . . . B 14 LEU HB3 . 18709 1 1157 . 2 2 14 14 LEU HD11 H 1 0.927 0.006 . 1 . . . B 14 LEU HD11 . 18709 1 1158 . 2 2 14 14 LEU HD12 H 1 0.927 0.006 . 1 . . . B 14 LEU HD12 . 18709 1 1159 . 2 2 14 14 LEU HD13 H 1 0.927 0.006 . 1 . . . B 14 LEU HD13 . 18709 1 1160 . 2 2 14 14 LEU HD21 H 1 0.886 0.003 . 1 . . . B 14 LEU HD21 . 18709 1 1161 . 2 2 14 14 LEU HD22 H 1 0.886 0.003 . 1 . . . B 14 LEU HD22 . 18709 1 1162 . 2 2 14 14 LEU HD23 H 1 0.886 0.003 . 1 . . . B 14 LEU HD23 . 18709 1 1163 . 2 2 14 14 LEU C C 13 177.801 0.000 . 1 . . . B 14 LEU C . 18709 1 1164 . 2 2 14 14 LEU CA C 13 55.248 0.058 . 1 . . . B 14 LEU CA . 18709 1 1165 . 2 2 14 14 LEU CB C 13 42.317 0.068 . 1 . . . B 14 LEU CB . 18709 1 1166 . 2 2 14 14 LEU CD1 C 13 24.990 0.000 . 1 . . . B 14 LEU CD1 . 18709 1 1167 . 2 2 14 14 LEU CD2 C 13 23.670 0.000 . 1 . . . B 14 LEU CD2 . 18709 1 1168 . 2 2 14 14 LEU N N 15 121.962 0.013 . 1 . . . B 14 LEU N . 18709 1 1169 . 2 2 15 15 SER H H 1 8.345 0.005 . 1 . . . B 15 SER H . 18709 1 1170 . 2 2 15 15 SER HA H 1 4.444 0.007 . 1 . . . B 15 SER HA . 18709 1 1171 . 2 2 15 15 SER HB2 H 1 3.826 0.000 . 2 . . . B 15 SER HB2 . 18709 1 1172 . 2 2 15 15 SER HB3 H 1 3.859 0.023 . 2 . . . B 15 SER HB3 . 18709 1 1173 . 2 2 15 15 SER C C 13 174.336 0.000 . 1 . . . B 15 SER C . 18709 1 1174 . 2 2 15 15 SER CA C 13 58.100 0.000 . 1 . . . B 15 SER CA . 18709 1 1175 . 2 2 15 15 SER CB C 13 63.795 0.080 . 1 . . . B 15 SER CB . 18709 1 1176 . 2 2 15 15 SER N N 15 116.301 0.012 . 1 . . . B 15 SER N . 18709 1 1177 . 2 2 16 16 GLN H H 1 8.521 0.006 . 1 . . . B 16 GLN H . 18709 1 1178 . 2 2 16 16 GLN HA H 1 4.305 0.008 . 1 . . . B 16 GLN HA . 18709 1 1179 . 2 2 16 16 GLN HB2 H 1 1.996 0.016 . 2 . . . B 16 GLN HB2 . 18709 1 1180 . 2 2 16 16 GLN HB3 H 1 2.120 0.008 . 2 . . . B 16 GLN HB3 . 18709 1 1181 . 2 2 16 16 GLN HG2 H 1 2.328 0.008 . 1 . . . B 16 GLN HG2 . 18709 1 1182 . 2 2 16 16 GLN HE21 H 1 6.896 0.000 . 1 . . . B 16 GLN HE21 . 18709 1 1183 . 2 2 16 16 GLN HE22 H 1 7.612 0.000 . 1 . . . B 16 GLN HE22 . 18709 1 1184 . 2 2 16 16 GLN C C 13 176.072 0.000 . 1 . . . B 16 GLN C . 18709 1 1185 . 2 2 16 16 GLN CA C 13 56.125 0.016 . 1 . . . B 16 GLN CA . 18709 1 1186 . 2 2 16 16 GLN CB C 13 29.819 0.001 . 1 . . . B 16 GLN CB . 18709 1 1187 . 2 2 16 16 GLN CG C 13 33.849 0.000 . 1 . . . B 16 GLN CG . 18709 1 1188 . 2 2 16 16 GLN N N 15 122.080 0.047 . 1 . . . B 16 GLN N . 18709 1 1189 . 2 2 16 16 GLN NE2 N 15 112.661 0.001 . 1 . . . B 16 GLN NE2 . 18709 1 1190 . 2 2 17 17 GLU H H 1 8.489 0.005 . 1 . . . B 17 GLU H . 18709 1 1191 . 2 2 17 17 GLU HA H 1 4.257 0.008 . 1 . . . B 17 GLU HA . 18709 1 1192 . 2 2 17 17 GLU HB2 H 1 1.923 0.010 . 2 . . . B 17 GLU HB2 . 18709 1 1193 . 2 2 17 17 GLU HB3 H 1 2.036 0.000 . 2 . . . B 17 GLU HB3 . 18709 1 1194 . 2 2 17 17 GLU HG2 H 1 2.219 0.016 . 1 . . . B 17 GLU HG2 . 18709 1 1195 . 2 2 17 17 GLU C C 13 176.742 0.000 . 1 . . . B 17 GLU C . 18709 1 1196 . 2 2 17 17 GLU CA C 13 57.021 0.002 . 1 . . . B 17 GLU CA . 18709 1 1197 . 2 2 17 17 GLU CB C 13 30.181 0.001 . 1 . . . B 17 GLU CB . 18709 1 1198 . 2 2 17 17 GLU CG C 13 36.369 0.027 . 1 . . . B 17 GLU CG . 18709 1 1199 . 2 2 17 17 GLU N N 15 121.433 0.011 . 1 . . . B 17 GLU N . 18709 1 1200 . 2 2 18 18 THR H H 1 8.122 0.004 . 1 . . . B 18 THR H . 18709 1 1201 . 2 2 18 18 THR HA H 1 4.240 0.004 . 1 . . . B 18 THR HA . 18709 1 1202 . 2 2 18 18 THR HB H 1 4.124 0.006 . 1 . . . B 18 THR HB . 18709 1 1203 . 2 2 18 18 THR HG21 H 1 1.104 0.001 . 1 . . . B 18 THR HG21 . 18709 1 1204 . 2 2 18 18 THR HG22 H 1 1.104 0.001 . 1 . . . B 18 THR HG22 . 18709 1 1205 . 2 2 18 18 THR HG23 H 1 1.104 0.001 . 1 . . . B 18 THR HG23 . 18709 1 1206 . 2 2 18 18 THR C C 13 174.157 0.000 . 1 . . . B 18 THR C . 18709 1 1207 . 2 2 18 18 THR CA C 13 61.922 0.000 . 1 . . . B 18 THR CA . 18709 1 1208 . 2 2 18 18 THR CB C 13 69.708 0.056 . 1 . . . B 18 THR CB . 18709 1 1209 . 2 2 18 18 THR CG2 C 13 21.579 0.018 . 1 . . . B 18 THR CG2 . 18709 1 1210 . 2 2 18 18 THR N N 15 114.507 0.014 . 1 . . . B 18 THR N . 18709 1 1211 . 2 2 19 19 PHE H H 1 8.269 0.004 . 1 . . . B 19 PHE H . 18709 1 1212 . 2 2 19 19 PHE HA H 1 4.573 0.002 . 1 . . . B 19 PHE HA . 18709 1 1213 . 2 2 19 19 PHE HB2 H 1 3.034 0.005 . 2 . . . B 19 PHE HB2 . 18709 1 1214 . 2 2 19 19 PHE HB3 H 1 3.139 0.003 . 2 . . . B 19 PHE HB3 . 18709 1 1215 . 2 2 19 19 PHE HD1 H 1 7.204 0.000 . 3 . . . B 19 PHE HD1 . 18709 1 1216 . 2 2 19 19 PHE HD2 H 1 7.204 0.000 . 3 . . . B 19 PHE HD2 . 18709 1 1217 . 2 2 19 19 PHE HE1 H 1 7.295 0.000 . 3 . . . B 19 PHE HE1 . 18709 1 1218 . 2 2 19 19 PHE HE2 H 1 7.295 0.000 . 3 . . . B 19 PHE HE2 . 18709 1 1219 . 2 2 19 19 PHE HZ H 1 7.247 0.000 . 1 . . . B 19 PHE HZ . 18709 1 1220 . 2 2 19 19 PHE C C 13 175.869 0.000 . 1 . . . B 19 PHE C . 18709 1 1221 . 2 2 19 19 PHE CA C 13 58.197 0.057 . 1 . . . B 19 PHE CA . 18709 1 1222 . 2 2 19 19 PHE CB C 13 39.357 0.020 . 1 . . . B 19 PHE CB . 18709 1 1223 . 2 2 19 19 PHE CD1 C 13 131.654 0.000 . 3 . . . B 19 PHE CD1 . 18709 1 1224 . 2 2 19 19 PHE CD2 C 13 131.654 0.000 . 3 . . . B 19 PHE CD2 . 18709 1 1225 . 2 2 19 19 PHE CE1 C 13 131.530 0.000 . 3 . . . B 19 PHE CE1 . 18709 1 1226 . 2 2 19 19 PHE CE2 C 13 131.530 0.000 . 3 . . . B 19 PHE CE2 . 18709 1 1227 . 2 2 19 19 PHE CZ C 13 129.797 0.000 . 1 . . . B 19 PHE CZ . 18709 1 1228 . 2 2 19 19 PHE N N 15 121.719 0.026 . 1 . . . B 19 PHE N . 18709 1 1229 . 2 2 20 20 SER H H 1 8.123 0.003 . 1 . . . B 20 SER H . 18709 1 1230 . 2 2 20 20 SER HA H 1 4.287 0.005 . 1 . . . B 20 SER HA . 18709 1 1231 . 2 2 20 20 SER HB2 H 1 3.746 0.004 . 2 . . . B 20 SER HB2 . 18709 1 1232 . 2 2 20 20 SER HB3 H 1 3.858 0.000 . 2 . . . B 20 SER HB3 . 18709 1 1233 . 2 2 20 20 SER C C 13 174.320 0.000 . 1 . . . B 20 SER C . 18709 1 1234 . 2 2 20 20 SER CA C 13 58.921 0.005 . 1 . . . B 20 SER CA . 18709 1 1235 . 2 2 20 20 SER CB C 13 63.811 0.008 . 1 . . . B 20 SER CB . 18709 1 1236 . 2 2 20 20 SER N N 15 116.043 0.026 . 1 . . . B 20 SER N . 18709 1 1237 . 2 2 21 21 ASP H H 1 8.258 0.006 . 1 . . . B 21 ASP H . 18709 1 1238 . 2 2 21 21 ASP HA H 1 4.541 0.001 . 1 . . . B 21 ASP HA . 18709 1 1239 . 2 2 21 21 ASP HB2 H 1 2.594 0.007 . 2 . . . B 21 ASP HB2 . 18709 1 1240 . 2 2 21 21 ASP HB3 H 1 2.703 0.000 . 2 . . . B 21 ASP HB3 . 18709 1 1241 . 2 2 21 21 ASP C C 13 177.033 0.000 . 1 . . . B 21 ASP C . 18709 1 1242 . 2 2 21 21 ASP CA C 13 54.969 0.016 . 1 . . . B 21 ASP CA . 18709 1 1243 . 2 2 21 21 ASP CB C 13 40.830 0.068 . 1 . . . B 21 ASP CB . 18709 1 1244 . 2 2 21 21 ASP N N 15 121.509 0.029 . 1 . . . B 21 ASP N . 18709 1 1245 . 2 2 22 22 LEU H H 1 7.934 0.004 . 1 . . . B 22 LEU H . 18709 1 1246 . 2 2 22 22 LEU HA H 1 4.069 0.005 . 1 . . . B 22 LEU HA . 18709 1 1247 . 2 2 22 22 LEU HB2 H 1 1.387 0.016 . 2 . . . B 22 LEU HB2 . 18709 1 1248 . 2 2 22 22 LEU HB3 H 1 1.518 0.006 . 2 . . . B 22 LEU HB3 . 18709 1 1249 . 2 2 22 22 LEU HG H 1 1.536 0.000 . 1 . . . B 22 LEU HG . 18709 1 1250 . 2 2 22 22 LEU HD11 H 1 0.841 0.001 . 1 . . . B 22 LEU HD11 . 18709 1 1251 . 2 2 22 22 LEU HD12 H 1 0.841 0.001 . 1 . . . B 22 LEU HD12 . 18709 1 1252 . 2 2 22 22 LEU HD13 H 1 0.841 0.001 . 1 . . . B 22 LEU HD13 . 18709 1 1253 . 2 2 22 22 LEU HD21 H 1 0.772 0.003 . 1 . . . B 22 LEU HD21 . 18709 1 1254 . 2 2 22 22 LEU HD22 H 1 0.772 0.003 . 1 . . . B 22 LEU HD22 . 18709 1 1255 . 2 2 22 22 LEU HD23 H 1 0.772 0.003 . 1 . . . B 22 LEU HD23 . 18709 1 1256 . 2 2 22 22 LEU C C 13 178.338 0.000 . 1 . . . B 22 LEU C . 18709 1 1257 . 2 2 22 22 LEU CA C 13 56.676 0.063 . 1 . . . B 22 LEU CA . 18709 1 1258 . 2 2 22 22 LEU CB C 13 41.792 0.011 . 1 . . . B 22 LEU CB . 18709 1 1259 . 2 2 22 22 LEU CG C 13 26.881 0.000 . 1 . . . B 22 LEU CG . 18709 1 1260 . 2 2 22 22 LEU CD1 C 13 24.918 0.003 . 1 . . . B 22 LEU CD1 . 18709 1 1261 . 2 2 22 22 LEU CD2 C 13 23.476 0.004 . 1 . . . B 22 LEU CD2 . 18709 1 1262 . 2 2 22 22 LEU N N 15 120.657 0.014 . 1 . . . B 22 LEU N . 18709 1 1263 . 2 2 23 23 TRP H H 1 7.852 0.004 . 1 . . . B 23 TRP H . 18709 1 1264 . 2 2 23 23 TRP HA H 1 4.502 0.001 . 1 . . . B 23 TRP HA . 18709 1 1265 . 2 2 23 23 TRP HB2 H 1 3.279 0.007 . 2 . . . B 23 TRP HB2 . 18709 1 1266 . 2 2 23 23 TRP HB3 H 1 3.299 0.010 . 2 . . . B 23 TRP HB3 . 18709 1 1267 . 2 2 23 23 TRP HD1 H 1 7.264 0.000 . 1 . . . B 23 TRP HD1 . 18709 1 1268 . 2 2 23 23 TRP HE1 H 1 10.181 0.001 . 1 . . . B 23 TRP HE1 . 18709 1 1269 . 2 2 23 23 TRP HE3 H 1 7.527 0.000 . 1 . . . B 23 TRP HE3 . 18709 1 1270 . 2 2 23 23 TRP HZ2 H 1 7.441 0.000 . 1 . . . B 23 TRP HZ2 . 18709 1 1271 . 2 2 23 23 TRP HZ3 H 1 7.093 0.000 . 1 . . . B 23 TRP HZ3 . 18709 1 1272 . 2 2 23 23 TRP HH2 H 1 7.173 0.000 . 1 . . . B 23 TRP HH2 . 18709 1 1273 . 2 2 23 23 TRP C C 13 176.877 0.000 . 1 . . . B 23 TRP C . 18709 1 1274 . 2 2 23 23 TRP CA C 13 57.774 0.000 . 1 . . . B 23 TRP CA . 18709 1 1275 . 2 2 23 23 TRP CB C 13 28.931 0.015 . 1 . . . B 23 TRP CB . 18709 1 1276 . 2 2 23 23 TRP CD1 C 13 127.091 0.010 . 1 . . . B 23 TRP CD1 . 18709 1 1277 . 2 2 23 23 TRP CE3 C 13 120.851 0.007 . 1 . . . B 23 TRP CE3 . 18709 1 1278 . 2 2 23 23 TRP CZ2 C 13 114.613 0.004 . 1 . . . B 23 TRP CZ2 . 18709 1 1279 . 2 2 23 23 TRP CZ3 C 13 121.936 0.001 . 1 . . . B 23 TRP CZ3 . 18709 1 1280 . 2 2 23 23 TRP CH2 C 13 124.592 0.002 . 1 . . . B 23 TRP CH2 . 18709 1 1281 . 2 2 23 23 TRP N N 15 118.551 0.025 . 1 . . . B 23 TRP N . 18709 1 1282 . 2 2 23 23 TRP NE1 N 15 128.967 0.008 . 1 . . . B 23 TRP NE1 . 18709 1 1283 . 2 2 24 24 LYS H H 1 7.568 0.003 . 1 . . . B 24 LYS H . 18709 1 1284 . 2 2 24 24 LYS HA H 1 4.059 0.008 . 1 . . . B 24 LYS HA . 18709 1 1285 . 2 2 24 24 LYS HB2 H 1 1.620 0.018 . 2 . . . B 24 LYS HB2 . 18709 1 1286 . 2 2 24 24 LYS HB3 H 1 1.706 0.001 . 2 . . . B 24 LYS HB3 . 18709 1 1287 . 2 2 24 24 LYS HG2 H 1 1.124 0.002 . 1 . . . B 24 LYS HG2 . 18709 1 1288 . 2 2 24 24 LYS HG3 H 1 1.124 0.002 . 1 . . . B 24 LYS HG3 . 18709 1 1289 . 2 2 24 24 LYS HD2 H 1 1.596 0.000 . 1 . . . B 24 LYS HD2 . 18709 1 1290 . 2 2 24 24 LYS HD3 H 1 1.596 0.000 . 1 . . . B 24 LYS HD3 . 18709 1 1291 . 2 2 24 24 LYS HE2 H 1 2.922 0.003 . 1 . . . B 24 LYS HE2 . 18709 1 1292 . 2 2 24 24 LYS HE3 H 1 2.922 0.003 . 1 . . . B 24 LYS HE3 . 18709 1 1293 . 2 2 24 24 LYS C C 13 176.251 0.000 . 1 . . . B 24 LYS C . 18709 1 1294 . 2 2 24 24 LYS CA C 13 56.887 0.027 . 1 . . . B 24 LYS CA . 18709 1 1295 . 2 2 24 24 LYS CB C 13 32.836 0.014 . 1 . . . B 24 LYS CB . 18709 1 1296 . 2 2 24 24 LYS CG C 13 24.697 0.028 . 1 . . . B 24 LYS CG . 18709 1 1297 . 2 2 24 24 LYS CD C 13 29.232 0.005 . 1 . . . B 24 LYS CD . 18709 1 1298 . 2 2 24 24 LYS CE C 13 42.164 0.013 . 1 . . . B 24 LYS CE . 18709 1 1299 . 2 2 24 24 LYS N N 15 119.709 0.028 . 1 . . . B 24 LYS N . 18709 1 1300 . 2 2 25 25 LEU H H 1 7.831 0.004 . 1 . . . B 25 LEU H . 18709 1 1301 . 2 2 25 25 LEU HA H 1 4.285 0.006 . 1 . . . B 25 LEU HA . 18709 1 1302 . 2 2 25 25 LEU HB2 H 1 1.583 0.002 . 2 . . . B 25 LEU HB2 . 18709 1 1303 . 2 2 25 25 LEU HB3 H 1 1.651 0.002 . 2 . . . B 25 LEU HB3 . 18709 1 1304 . 2 2 25 25 LEU HG H 1 1.622 0.002 . 1 . . . B 25 LEU HG . 18709 1 1305 . 2 2 25 25 LEU HD11 H 1 0.905 0.011 . 1 . . . B 25 LEU HD11 . 18709 1 1306 . 2 2 25 25 LEU HD12 H 1 0.905 0.011 . 1 . . . B 25 LEU HD12 . 18709 1 1307 . 2 2 25 25 LEU HD13 H 1 0.905 0.011 . 1 . . . B 25 LEU HD13 . 18709 1 1308 . 2 2 25 25 LEU HD21 H 1 0.850 0.000 . 1 . . . B 25 LEU HD21 . 18709 1 1309 . 2 2 25 25 LEU HD22 H 1 0.850 0.000 . 1 . . . B 25 LEU HD22 . 18709 1 1310 . 2 2 25 25 LEU HD23 H 1 0.850 0.000 . 1 . . . B 25 LEU HD23 . 18709 1 1311 . 2 2 25 25 LEU C C 13 177.196 0.000 . 1 . . . B 25 LEU C . 18709 1 1312 . 2 2 25 25 LEU CA C 13 54.926 0.005 . 1 . . . B 25 LEU CA . 18709 1 1313 . 2 2 25 25 LEU CB C 13 42.356 0.008 . 1 . . . B 25 LEU CB . 18709 1 1314 . 2 2 25 25 LEU CG C 13 26.946 0.000 . 1 . . . B 25 LEU CG . 18709 1 1315 . 2 2 25 25 LEU CD1 C 13 25.180 0.005 . 1 . . . B 25 LEU CD1 . 18709 1 1316 . 2 2 25 25 LEU CD2 C 13 23.370 0.000 . 1 . . . B 25 LEU CD2 . 18709 1 1317 . 2 2 25 25 LEU N N 15 120.149 0.033 . 1 . . . B 25 LEU N . 18709 1 1318 . 2 2 26 26 LEU H H 1 7.890 0.004 . 1 . . . B 26 LEU H . 18709 1 1319 . 2 2 26 26 LEU HA H 1 4.585 0.008 . 1 . . . B 26 LEU HA . 18709 1 1320 . 2 2 26 26 LEU HB2 H 1 1.565 0.000 . 2 . . . B 26 LEU HB2 . 18709 1 1321 . 2 2 26 26 LEU HB3 H 1 1.627 0.014 . 2 . . . B 26 LEU HB3 . 18709 1 1322 . 2 2 26 26 LEU HG H 1 1.706 0.000 . 1 . . . B 26 LEU HG . 18709 1 1323 . 2 2 26 26 LEU HD11 H 1 0.926 0.000 . 1 . . . B 26 LEU HD11 . 18709 1 1324 . 2 2 26 26 LEU HD12 H 1 0.926 0.000 . 1 . . . B 26 LEU HD12 . 18709 1 1325 . 2 2 26 26 LEU HD13 H 1 0.926 0.000 . 1 . . . B 26 LEU HD13 . 18709 1 1326 . 2 2 26 26 LEU HD21 H 1 0.896 0.001 . 1 . . . B 26 LEU HD21 . 18709 1 1327 . 2 2 26 26 LEU HD22 H 1 0.896 0.001 . 1 . . . B 26 LEU HD22 . 18709 1 1328 . 2 2 26 26 LEU HD23 H 1 0.896 0.001 . 1 . . . B 26 LEU HD23 . 18709 1 1329 . 2 2 26 26 LEU CA C 13 53.052 0.000 . 1 . . . B 26 LEU CA . 18709 1 1330 . 2 2 26 26 LEU CB C 13 41.570 0.000 . 1 . . . B 26 LEU CB . 18709 1 1331 . 2 2 26 26 LEU CG C 13 27.040 0.000 . 1 . . . B 26 LEU CG . 18709 1 1332 . 2 2 26 26 LEU CD1 C 13 25.313 0.000 . 1 . . . B 26 LEU CD1 . 18709 1 1333 . 2 2 26 26 LEU CD2 C 13 23.155 0.010 . 1 . . . B 26 LEU CD2 . 18709 1 1334 . 2 2 26 26 LEU N N 15 122.897 0.029 . 1 . . . B 26 LEU N . 18709 1 1335 . 2 2 27 27 PRO HA H 1 4.353 0.006 . 1 . . . B 27 PRO HA . 18709 1 1336 . 2 2 27 27 PRO HB2 H 1 1.912 0.006 . 2 . . . B 27 PRO HB2 . 18709 1 1337 . 2 2 27 27 PRO HB3 H 1 2.290 0.004 . 2 . . . B 27 PRO HB3 . 18709 1 1338 . 2 2 27 27 PRO HG2 H 1 1.993 0.027 . 1 . . . B 27 PRO HG2 . 18709 1 1339 . 2 2 27 27 PRO HG3 H 1 2.006 0.023 . 1 . . . B 27 PRO HG3 . 18709 1 1340 . 2 2 27 27 PRO HD2 H 1 3.649 0.013 . 2 . . . B 27 PRO HD2 . 18709 1 1341 . 2 2 27 27 PRO HD3 H 1 3.815 0.017 . 2 . . . B 27 PRO HD3 . 18709 1 1342 . 2 2 27 27 PRO C C 13 177.674 0.000 . 1 . . . B 27 PRO C . 18709 1 1343 . 2 2 27 27 PRO CA C 13 63.558 0.076 . 1 . . . B 27 PRO CA . 18709 1 1344 . 2 2 27 27 PRO CB C 13 31.889 0.047 . 1 . . . B 27 PRO CB . 18709 1 1345 . 2 2 27 27 PRO CG C 13 27.352 0.002 . 1 . . . B 27 PRO CG . 18709 1 1346 . 2 2 27 27 PRO CD C 13 50.528 0.002 . 1 . . . B 27 PRO CD . 18709 1 1347 . 2 2 28 28 GLU H H 1 8.714 0.006 . 1 . . . B 28 GLU H . 18709 1 1348 . 2 2 28 28 GLU HA H 1 4.195 0.001 . 1 . . . B 28 GLU HA . 18709 1 1349 . 2 2 28 28 GLU HB2 H 1 1.967 0.011 . 2 . . . B 28 GLU HB2 . 18709 1 1350 . 2 2 28 28 GLU HB3 H 1 2.005 0.017 . 2 . . . B 28 GLU HB3 . 18709 1 1351 . 2 2 28 28 GLU HG2 H 1 2.236 0.002 . 1 . . . B 28 GLU HG2 . 18709 1 1352 . 2 2 28 28 GLU HG3 H 1 2.263 0.000 . 2 . . . B 28 GLU HG3 . 18709 1 1353 . 2 2 28 28 GLU C C 13 176.410 0.000 . 1 . . . B 28 GLU C . 18709 1 1354 . 2 2 28 28 GLU CA C 13 57.023 0.054 . 1 . . . B 28 GLU CA . 18709 1 1355 . 2 2 28 28 GLU CB C 13 29.946 0.016 . 1 . . . B 28 GLU CB . 18709 1 1356 . 2 2 28 28 GLU CG C 13 36.235 0.047 . 1 . . . B 28 GLU CG . 18709 1 1357 . 2 2 28 28 GLU N N 15 119.367 0.015 . 1 . . . B 28 GLU N . 18709 1 1358 . 2 2 29 29 ASN H H 1 8.292 0.003 . 1 . . . B 29 ASN H . 18709 1 1359 . 2 2 29 29 ASN HA H 1 4.739 0.007 . 1 . . . B 29 ASN HA . 18709 1 1360 . 2 2 29 29 ASN HB2 H 1 2.734 0.017 . 2 . . . B 29 ASN HB2 . 18709 1 1361 . 2 2 29 29 ASN HB3 H 1 2.816 0.000 . 2 . . . B 29 ASN HB3 . 18709 1 1362 . 2 2 29 29 ASN HD21 H 1 6.788 0.000 . 1 . . . B 29 ASN HD21 . 18709 1 1363 . 2 2 29 29 ASN HD22 H 1 7.561 0.000 . 1 . . . B 29 ASN HD22 . 18709 1 1364 . 2 2 29 29 ASN C C 13 174.545 0.000 . 1 . . . B 29 ASN C . 18709 1 1365 . 2 2 29 29 ASN CA C 13 53.232 0.027 . 1 . . . B 29 ASN CA . 18709 1 1366 . 2 2 29 29 ASN CB C 13 39.020 0.039 . 1 . . . B 29 ASN CB . 18709 1 1367 . 2 2 29 29 ASN N N 15 118.356 0.032 . 1 . . . B 29 ASN N . 18709 1 1368 . 2 2 29 29 ASN ND2 N 15 112.326 0.011 . 1 . . . B 29 ASN ND2 . 18709 1 1369 . 2 2 30 30 ASN H H 1 8.297 0.003 . 1 . . . B 30 ASN H . 18709 1 1370 . 2 2 30 30 ASN HA H 1 4.722 0.008 . 1 . . . B 30 ASN HA . 18709 1 1371 . 2 2 30 30 ASN HB2 H 1 2.725 0.000 . 2 . . . B 30 ASN HB2 . 18709 1 1372 . 2 2 30 30 ASN HB3 H 1 2.820 0.000 . 2 . . . B 30 ASN HB3 . 18709 1 1373 . 2 2 30 30 ASN HD21 H 1 6.915 0.000 . 1 . . . B 30 ASN HD21 . 18709 1 1374 . 2 2 30 30 ASN HD22 H 1 7.561 0.000 . 1 . . . B 30 ASN HD22 . 18709 1 1375 . 2 2 30 30 ASN C C 13 174.694 0.000 . 1 . . . B 30 ASN C . 18709 1 1376 . 2 2 30 30 ASN CA C 13 53.352 0.019 . 1 . . . B 30 ASN CA . 18709 1 1377 . 2 2 30 30 ASN CB C 13 39.152 0.000 . 1 . . . B 30 ASN CB . 18709 1 1378 . 2 2 30 30 ASN N N 15 119.024 0.017 . 1 . . . B 30 ASN N . 18709 1 1379 . 2 2 30 30 ASN ND2 N 15 112.345 0.008 . 1 . . . B 30 ASN ND2 . 18709 1 1380 . 2 2 31 31 VAL H H 1 8.038 0.004 . 1 . . . B 31 VAL H . 18709 1 1381 . 2 2 31 31 VAL HA H 1 4.094 0.001 . 1 . . . B 31 VAL HA . 18709 1 1382 . 2 2 31 31 VAL HB H 1 2.102 0.005 . 1 . . . B 31 VAL HB . 18709 1 1383 . 2 2 31 31 VAL HG11 H 1 0.922 0.006 . 1 . . . B 31 VAL HG11 . 18709 1 1384 . 2 2 31 31 VAL HG12 H 1 0.922 0.006 . 1 . . . B 31 VAL HG12 . 18709 1 1385 . 2 2 31 31 VAL HG13 H 1 0.922 0.006 . 1 . . . B 31 VAL HG13 . 18709 1 1386 . 2 2 31 31 VAL HG21 H 1 0.929 0.000 . 1 . . . B 31 VAL HG21 . 18709 1 1387 . 2 2 31 31 VAL HG22 H 1 0.929 0.000 . 1 . . . B 31 VAL HG22 . 18709 1 1388 . 2 2 31 31 VAL HG23 H 1 0.929 0.000 . 1 . . . B 31 VAL HG23 . 18709 1 1389 . 2 2 31 31 VAL C C 13 176.013 0.000 . 1 . . . B 31 VAL C . 18709 1 1390 . 2 2 31 31 VAL CA C 13 62.497 0.005 . 1 . . . B 31 VAL CA . 18709 1 1391 . 2 2 31 31 VAL CB C 13 35.993 3.122 . 1 . . . B 31 VAL CB . 18709 1 1392 . 2 2 31 31 VAL CG1 C 13 20.417 0.006 . 1 . . . B 31 VAL CG1 . 18709 1 1393 . 2 2 31 31 VAL CG2 C 13 20.417 0.006 . 1 . . . B 31 VAL CG2 . 18709 1 1394 . 2 2 31 31 VAL N N 15 119.607 0.015 . 1 . . . B 31 VAL N . 18709 1 1395 . 2 2 32 32 LEU H H 1 8.280 0.004 . 1 . . . B 32 LEU H . 18709 1 1396 . 2 2 32 32 LEU HA H 1 4.389 0.002 . 1 . . . B 32 LEU HA . 18709 1 1397 . 2 2 32 32 LEU HB2 H 1 1.577 0.000 . 2 . . . B 32 LEU HB2 . 18709 1 1398 . 2 2 32 32 LEU HB3 H 1 1.653 0.000 . 2 . . . B 32 LEU HB3 . 18709 1 1399 . 2 2 32 32 LEU HG H 1 1.615 0.001 . 1 . . . B 32 LEU HG . 18709 1 1400 . 2 2 32 32 LEU HD11 H 1 0.921 0.000 . 1 . . . B 32 LEU HD11 . 18709 1 1401 . 2 2 32 32 LEU HD12 H 1 0.921 0.000 . 1 . . . B 32 LEU HD12 . 18709 1 1402 . 2 2 32 32 LEU HD13 H 1 0.921 0.000 . 1 . . . B 32 LEU HD13 . 18709 1 1403 . 2 2 32 32 LEU HD21 H 1 0.868 0.002 . 1 . . . B 32 LEU HD21 . 18709 1 1404 . 2 2 32 32 LEU HD22 H 1 0.868 0.002 . 1 . . . B 32 LEU HD22 . 18709 1 1405 . 2 2 32 32 LEU HD23 H 1 0.868 0.002 . 1 . . . B 32 LEU HD23 . 18709 1 1406 . 2 2 32 32 LEU C C 13 177.221 0.000 . 1 . . . B 32 LEU C . 18709 1 1407 . 2 2 32 32 LEU CA C 13 54.954 0.000 . 1 . . . B 32 LEU CA . 18709 1 1408 . 2 2 32 32 LEU CB C 13 42.459 0.003 . 1 . . . B 32 LEU CB . 18709 1 1409 . 2 2 32 32 LEU CG C 13 27.033 0.000 . 1 . . . B 32 LEU CG . 18709 1 1410 . 2 2 32 32 LEU CD1 C 13 25.317 0.000 . 1 . . . B 32 LEU CD1 . 18709 1 1411 . 2 2 32 32 LEU CD2 C 13 23.505 0.004 . 1 . . . B 32 LEU CD2 . 18709 1 1412 . 2 2 32 32 LEU N N 15 124.759 0.053 . 1 . . . B 32 LEU N . 18709 1 1413 . 2 2 33 33 SER H H 1 8.209 0.006 . 1 . . . B 33 SER H . 18709 1 1414 . 2 2 33 33 SER HA H 1 4.730 0.009 . 1 . . . B 33 SER HA . 18709 1 1415 . 2 2 33 33 SER HB2 H 1 3.800 0.015 . 2 . . . B 33 SER HB2 . 18709 1 1416 . 2 2 33 33 SER HB3 H 1 3.857 0.018 . 2 . . . B 33 SER HB3 . 18709 1 1417 . 2 2 33 33 SER CA C 13 56.172 0.017 . 1 . . . B 33 SER CA . 18709 1 1418 . 2 2 33 33 SER CB C 13 63.332 0.102 . 1 . . . B 33 SER CB . 18709 1 1419 . 2 2 33 33 SER N N 15 117.482 0.011 . 1 . . . B 33 SER N . 18709 1 1420 . 2 2 34 34 PRO HA H 1 4.430 0.002 . 1 . . . B 34 PRO HA . 18709 1 1421 . 2 2 34 34 PRO HB2 H 1 1.945 0.012 . 2 . . . B 34 PRO HB2 . 18709 1 1422 . 2 2 34 34 PRO HB3 H 1 2.234 0.017 . 2 . . . B 34 PRO HB3 . 18709 1 1423 . 2 2 34 34 PRO HG2 H 1 2.042 0.000 . 1 . . . B 34 PRO HG2 . 18709 1 1424 . 2 2 34 34 PRO HG3 H 1 2.042 0.000 . 1 . . . B 34 PRO HG3 . 18709 1 1425 . 2 2 34 34 PRO HD2 H 1 3.659 0.000 . 2 . . . B 34 PRO HD2 . 18709 1 1426 . 2 2 34 34 PRO HD3 H 1 3.755 0.000 . 2 . . . B 34 PRO HD3 . 18709 1 1427 . 2 2 34 34 PRO C C 13 176.836 0.000 . 1 . . . B 34 PRO C . 18709 1 1428 . 2 2 34 34 PRO CA C 13 62.952 0.000 . 1 . . . B 34 PRO CA . 18709 1 1429 . 2 2 34 34 PRO CB C 13 32.075 0.012 . 1 . . . B 34 PRO CB . 18709 1 1430 . 2 2 34 34 PRO CG C 13 27.195 0.000 . 1 . . . B 34 PRO CG . 18709 1 1431 . 2 2 34 34 PRO CD C 13 50.640 0.000 . 1 . . . B 34 PRO CD . 18709 1 1432 . 2 2 35 35 LEU H H 1 8.297 0.004 . 1 . . . B 35 LEU H . 18709 1 1433 . 2 2 35 35 LEU HA H 1 4.583 0.008 . 1 . . . B 35 LEU HA . 18709 1 1434 . 2 2 35 35 LEU HB2 H 1 1.564 0.007 . 2 . . . B 35 LEU HB2 . 18709 1 1435 . 2 2 35 35 LEU HB3 H 1 1.628 0.000 . 2 . . . B 35 LEU HB3 . 18709 1 1436 . 2 2 35 35 LEU HG H 1 1.699 0.008 . 1 . . . B 35 LEU HG . 18709 1 1437 . 2 2 35 35 LEU HD11 H 1 0.933 0.004 . 1 . . . B 35 LEU HD11 . 18709 1 1438 . 2 2 35 35 LEU HD12 H 1 0.933 0.004 . 1 . . . B 35 LEU HD12 . 18709 1 1439 . 2 2 35 35 LEU HD13 H 1 0.933 0.004 . 1 . . . B 35 LEU HD13 . 18709 1 1440 . 2 2 35 35 LEU HD21 H 1 0.907 0.000 . 1 . . . B 35 LEU HD21 . 18709 1 1441 . 2 2 35 35 LEU HD22 H 1 0.907 0.000 . 1 . . . B 35 LEU HD22 . 18709 1 1442 . 2 2 35 35 LEU HD23 H 1 0.907 0.000 . 1 . . . B 35 LEU HD23 . 18709 1 1443 . 2 2 35 35 LEU CA C 13 53.188 0.032 . 1 . . . B 35 LEU CA . 18709 1 1444 . 2 2 35 35 LEU CB C 13 41.603 0.094 . 1 . . . B 35 LEU CB . 18709 1 1445 . 2 2 35 35 LEU CG C 13 26.885 0.014 . 1 . . . B 35 LEU CG . 18709 1 1446 . 2 2 35 35 LEU CD1 C 13 25.095 0.000 . 1 . . . B 35 LEU CD1 . 18709 1 1447 . 2 2 35 35 LEU CD2 C 13 23.354 0.008 . 1 . . . B 35 LEU CD2 . 18709 1 1448 . 2 2 35 35 LEU N N 15 123.118 0.014 . 1 . . . B 35 LEU N . 18709 1 1449 . 2 2 36 36 PRO HA H 1 4.425 0.008 . 1 . . . B 36 PRO HA . 18709 1 1450 . 2 2 36 36 PRO HB2 H 1 1.917 0.004 . 2 . . . B 36 PRO HB2 . 18709 1 1451 . 2 2 36 36 PRO HB3 H 1 2.304 0.007 . 2 . . . B 36 PRO HB3 . 18709 1 1452 . 2 2 36 36 PRO HG2 H 1 1.986 0.006 . 1 . . . B 36 PRO HG2 . 18709 1 1453 . 2 2 36 36 PRO HG3 H 1 1.989 0.006 . 1 . . . B 36 PRO HG3 . 18709 1 1454 . 2 2 36 36 PRO HD2 H 1 3.636 0.000 . 2 . . . B 36 PRO HD2 . 18709 1 1455 . 2 2 36 36 PRO HD3 H 1 3.830 0.000 . 2 . . . B 36 PRO HD3 . 18709 1 1456 . 2 2 36 36 PRO C C 13 177.254 0.000 . 1 . . . B 36 PRO C . 18709 1 1457 . 2 2 36 36 PRO CA C 13 63.227 0.001 . 1 . . . B 36 PRO CA . 18709 1 1458 . 2 2 36 36 PRO CB C 13 31.962 0.051 . 1 . . . B 36 PRO CB . 18709 1 1459 . 2 2 36 36 PRO CG C 13 27.352 0.032 . 1 . . . B 36 PRO CG . 18709 1 1460 . 2 2 36 36 PRO CD C 13 50.481 0.000 . 1 . . . B 36 PRO CD . 18709 1 1461 . 2 2 37 37 SER H H 1 8.342 0.006 . 1 . . . B 37 SER H . 18709 1 1462 . 2 2 37 37 SER HA H 1 4.382 0.003 . 1 . . . B 37 SER HA . 18709 1 1463 . 2 2 37 37 SER HB2 H 1 3.828 0.000 . 2 . . . B 37 SER HB2 . 18709 1 1464 . 2 2 37 37 SER HB3 H 1 3.899 0.000 . 2 . . . B 37 SER HB3 . 18709 1 1465 . 2 2 37 37 SER C C 13 174.526 0.000 . 1 . . . B 37 SER C . 18709 1 1466 . 2 2 37 37 SER CA C 13 58.561 0.061 . 1 . . . B 37 SER CA . 18709 1 1467 . 2 2 37 37 SER CB C 13 63.693 0.000 . 1 . . . B 37 SER CB . 18709 1 1468 . 2 2 37 37 SER N N 15 115.186 0.050 . 1 . . . B 37 SER N . 18709 1 1469 . 2 2 38 38 GLN H H 1 8.387 0.004 . 1 . . . B 38 GLN H . 18709 1 1470 . 2 2 38 38 GLN HA H 1 4.300 0.018 . 1 . . . B 38 GLN HA . 18709 1 1471 . 2 2 38 38 GLN HB2 H 1 2.053 0.014 . 2 . . . B 38 GLN HB2 . 18709 1 1472 . 2 2 38 38 GLN HB3 H 1 2.127 0.001 . 2 . . . B 38 GLN HB3 . 18709 1 1473 . 2 2 38 38 GLN HG2 H 1 2.360 0.007 . 1 . . . B 38 GLN HG2 . 18709 1 1474 . 2 2 38 38 GLN HG3 H 1 2.367 0.000 . 1 . . . B 38 GLN HG3 . 18709 1 1475 . 2 2 38 38 GLN HE21 H 1 6.880 0.000 . 1 . . . B 38 GLN HE21 . 18709 1 1476 . 2 2 38 38 GLN HE22 H 1 7.611 0.000 . 1 . . . B 38 GLN HE22 . 18709 1 1477 . 2 2 38 38 GLN C C 13 175.568 0.000 . 1 . . . B 38 GLN C . 18709 1 1478 . 2 2 38 38 GLN CA C 13 55.940 0.000 . 1 . . . B 38 GLN CA . 18709 1 1479 . 2 2 38 38 GLN CB C 13 29.861 0.175 . 1 . . . B 38 GLN CB . 18709 1 1480 . 2 2 38 38 GLN CG C 13 33.913 0.000 . 1 . . . B 38 GLN CG . 18709 1 1481 . 2 2 38 38 GLN N N 15 121.665 0.009 . 1 . . . B 38 GLN N . 18709 1 1482 . 2 2 38 38 GLN NE2 N 15 112.262 0.001 . 1 . . . B 38 GLN NE2 . 18709 1 1483 . 2 2 39 39 ALA H H 1 8.284 0.005 . 1 . . . B 39 ALA H . 18709 1 1484 . 2 2 39 39 ALA HA H 1 4.290 0.003 . 1 . . . B 39 ALA HA . 18709 1 1485 . 2 2 39 39 ALA HB1 H 1 1.383 0.011 . 1 . . . B 39 ALA HB1 . 18709 1 1486 . 2 2 39 39 ALA HB2 H 1 1.383 0.011 . 1 . . . B 39 ALA HB2 . 18709 1 1487 . 2 2 39 39 ALA HB3 H 1 1.383 0.011 . 1 . . . B 39 ALA HB3 . 18709 1 1488 . 2 2 39 39 ALA C C 13 178.259 0.000 . 1 . . . B 39 ALA C . 18709 1 1489 . 2 2 39 39 ALA CA C 13 52.224 0.000 . 1 . . . B 39 ALA CA . 18709 1 1490 . 2 2 39 39 ALA CB C 13 19.183 0.123 . 1 . . . B 39 ALA CB . 18709 1 1491 . 2 2 39 39 ALA N N 15 124.469 0.042 . 1 . . . B 39 ALA N . 18709 1 1492 . 2 2 40 40 MET H H 1 8.315 0.004 . 1 . . . B 40 MET H . 18709 1 1493 . 2 2 40 40 MET HA H 1 4.438 0.006 . 1 . . . B 40 MET HA . 18709 1 1494 . 2 2 40 40 MET HB2 H 1 2.008 0.000 . 2 . . . B 40 MET HB2 . 18709 1 1495 . 2 2 40 40 MET HB3 H 1 2.099 0.000 . 2 . . . B 40 MET HB3 . 18709 1 1496 . 2 2 40 40 MET HG2 H 1 2.562 0.005 . 2 . . . B 40 MET HG2 . 18709 1 1497 . 2 2 40 40 MET HG3 H 1 2.671 0.000 . 2 . . . B 40 MET HG3 . 18709 1 1498 . 2 2 40 40 MET HE1 H 1 2.041 0.000 . 1 . . . B 40 MET HE1 . 18709 1 1499 . 2 2 40 40 MET HE2 H 1 2.041 0.000 . 1 . . . B 40 MET HE2 . 18709 1 1500 . 2 2 40 40 MET HE3 H 1 2.041 0.000 . 1 . . . B 40 MET HE3 . 18709 1 1501 . 2 2 40 40 MET C C 13 176.324 0.000 . 1 . . . B 40 MET C . 18709 1 1502 . 2 2 40 40 MET CA C 13 55.707 0.021 . 1 . . . B 40 MET CA . 18709 1 1503 . 2 2 40 40 MET CB C 13 32.177 0.018 . 1 . . . B 40 MET CB . 18709 1 1504 . 2 2 40 40 MET CG C 13 32.109 0.012 . 1 . . . B 40 MET CG . 18709 1 1505 . 2 2 40 40 MET CE C 13 17.046 0.000 . 1 . . . B 40 MET CE . 18709 1 1506 . 2 2 40 40 MET N N 15 118.819 0.035 . 1 . . . B 40 MET N . 18709 1 1507 . 2 2 41 41 ASP H H 1 8.242 0.003 . 1 . . . B 41 ASP H . 18709 1 1508 . 2 2 41 41 ASP HA H 1 4.535 0.006 . 1 . . . B 41 ASP HA . 18709 1 1509 . 2 2 41 41 ASP HB2 H 1 2.638 0.000 . 2 . . . B 41 ASP HB2 . 18709 1 1510 . 2 2 41 41 ASP HB3 H 1 2.651 0.011 . 2 . . . B 41 ASP HB3 . 18709 1 1511 . 2 2 41 41 ASP C C 13 176.304 0.000 . 1 . . . B 41 ASP C . 18709 1 1512 . 2 2 41 41 ASP CA C 13 54.920 0.007 . 1 . . . B 41 ASP CA . 18709 1 1513 . 2 2 41 41 ASP N N 15 120.451 0.021 . 1 . . . B 41 ASP N . 18709 1 1514 . 2 2 42 42 ASP H H 1 8.228 0.003 . 1 . . . B 42 ASP H . 18709 1 1515 . 2 2 42 42 ASP HA H 1 4.537 0.001 . 1 . . . B 42 ASP HA . 18709 1 1516 . 2 2 42 42 ASP HB2 H 1 2.622 0.000 . 2 . . . B 42 ASP HB2 . 18709 1 1517 . 2 2 42 42 ASP HB3 H 1 2.653 0.001 . 1 . . . B 42 ASP HB3 . 18709 1 1518 . 2 2 42 42 ASP C C 13 176.501 0.000 . 1 . . . B 42 ASP C . 18709 1 1519 . 2 2 42 42 ASP CA C 13 54.787 0.005 . 1 . . . B 42 ASP CA . 18709 1 1520 . 2 2 42 42 ASP CB C 13 41.033 0.015 . 1 . . . B 42 ASP CB . 18709 1 1521 . 2 2 42 42 ASP N N 15 119.647 0.017 . 1 . . . B 42 ASP N . 18709 1 1522 . 2 2 43 43 LEU H H 1 8.040 0.004 . 1 . . . B 43 LEU H . 18709 1 1523 . 2 2 43 43 LEU HA H 1 4.218 0.004 . 1 . . . B 43 LEU HA . 18709 1 1524 . 2 2 43 43 LEU HB2 H 1 1.519 0.000 . 2 . . . B 43 LEU HB2 . 18709 1 1525 . 2 2 43 43 LEU HB3 H 1 1.656 0.002 . 2 . . . B 43 LEU HB3 . 18709 1 1526 . 2 2 43 43 LEU HG H 1 1.585 0.001 . 1 . . . B 43 LEU HG . 18709 1 1527 . 2 2 43 43 LEU HD11 H 1 0.869 0.003 . 1 . . . B 43 LEU HD11 . 18709 1 1528 . 2 2 43 43 LEU HD12 H 1 0.869 0.003 . 1 . . . B 43 LEU HD12 . 18709 1 1529 . 2 2 43 43 LEU HD13 H 1 0.869 0.003 . 1 . . . B 43 LEU HD13 . 18709 1 1530 . 2 2 43 43 LEU HD21 H 1 0.779 0.012 . 1 . . . B 43 LEU HD21 . 18709 1 1531 . 2 2 43 43 LEU HD22 H 1 0.779 0.012 . 1 . . . B 43 LEU HD22 . 18709 1 1532 . 2 2 43 43 LEU HD23 H 1 0.779 0.012 . 1 . . . B 43 LEU HD23 . 18709 1 1533 . 2 2 43 43 LEU C C 13 177.481 0.000 . 1 . . . B 43 LEU C . 18709 1 1534 . 2 2 43 43 LEU CA C 13 55.439 0.000 . 1 . . . B 43 LEU CA . 18709 1 1535 . 2 2 43 43 LEU CB C 13 42.099 0.039 . 1 . . . B 43 LEU CB . 18709 1 1536 . 2 2 43 43 LEU CG C 13 26.916 0.000 . 1 . . . B 43 LEU CG . 18709 1 1537 . 2 2 43 43 LEU CD1 C 13 25.137 0.012 . 1 . . . B 43 LEU CD1 . 18709 1 1538 . 2 2 43 43 LEU CD2 C 13 23.519 0.009 . 1 . . . B 43 LEU CD2 . 18709 1 1539 . 2 2 43 43 LEU N N 15 120.945 0.033 . 1 . . . B 43 LEU N . 18709 1 1540 . 2 2 44 44 MET H H 1 8.149 0.004 . 1 . . . B 44 MET H . 18709 1 1541 . 2 2 44 44 MET HA H 1 4.423 0.018 . 1 . . . B 44 MET HA . 18709 1 1542 . 2 2 44 44 MET HB2 H 1 2.021 0.000 . 1 . . . B 44 MET HB2 . 18709 1 1543 . 2 2 44 44 MET HB3 H 1 2.021 0.000 . 1 . . . B 44 MET HB3 . 18709 1 1544 . 2 2 44 44 MET HG2 H 1 2.470 0.000 . 2 . . . B 44 MET HG2 . 18709 1 1545 . 2 2 44 44 MET HG3 H 1 2.557 0.022 . 2 . . . B 44 MET HG3 . 18709 1 1546 . 2 2 44 44 MET HE1 H 1 2.037 0.000 . 1 . . . B 44 MET HE1 . 18709 1 1547 . 2 2 44 44 MET HE2 H 1 2.037 0.000 . 1 . . . B 44 MET HE2 . 18709 1 1548 . 2 2 44 44 MET HE3 H 1 2.037 0.000 . 1 . . . B 44 MET HE3 . 18709 1 1549 . 2 2 44 44 MET C C 13 175.784 0.000 . 1 . . . B 44 MET C . 18709 1 1550 . 2 2 44 44 MET CA C 13 55.444 0.040 . 1 . . . B 44 MET CA . 18709 1 1551 . 2 2 44 44 MET CB C 13 32.330 0.178 . 1 . . . B 44 MET CB . 18709 1 1552 . 2 2 44 44 MET CG C 13 32.170 0.018 . 1 . . . B 44 MET CG . 18709 1 1553 . 2 2 44 44 MET CE C 13 17.052 0.000 . 1 . . . B 44 MET CE . 18709 1 1554 . 2 2 44 44 MET N N 15 119.351 0.023 . 1 . . . B 44 MET N . 18709 1 1555 . 2 2 45 45 LEU H H 1 8.004 0.005 . 1 . . . B 45 LEU H . 18709 1 1556 . 2 2 45 45 LEU HA H 1 4.423 0.018 . 1 . . . B 45 LEU HA . 18709 1 1557 . 2 2 45 45 LEU HB2 H 1 1.573 0.001 . 2 . . . B 45 LEU HB2 . 18709 1 1558 . 2 2 45 45 LEU HB3 H 1 1.649 0.001 . 2 . . . B 45 LEU HB3 . 18709 1 1559 . 2 2 45 45 LEU HG H 1 1.611 0.001 . 1 . . . B 45 LEU HG . 18709 1 1560 . 2 2 45 45 LEU HD11 H 1 0.863 0.003 . 1 . . . B 45 LEU HD11 . 18709 1 1561 . 2 2 45 45 LEU HD12 H 1 0.863 0.003 . 1 . . . B 45 LEU HD12 . 18709 1 1562 . 2 2 45 45 LEU HD13 H 1 0.863 0.003 . 1 . . . B 45 LEU HD13 . 18709 1 1563 . 2 2 45 45 LEU HD21 H 1 0.819 0.006 . 1 . . . B 45 LEU HD21 . 18709 1 1564 . 2 2 45 45 LEU HD22 H 1 0.819 0.006 . 1 . . . B 45 LEU HD22 . 18709 1 1565 . 2 2 45 45 LEU HD23 H 1 0.819 0.006 . 1 . . . B 45 LEU HD23 . 18709 1 1566 . 2 2 45 45 LEU C C 13 176.954 0.000 . 1 . . . B 45 LEU C . 18709 1 1567 . 2 2 45 45 LEU CA C 13 54.654 0.046 . 1 . . . B 45 LEU CA . 18709 1 1568 . 2 2 45 45 LEU CB C 13 42.384 0.009 . 1 . . . B 45 LEU CB . 18709 1 1569 . 2 2 45 45 LEU CG C 13 27.050 0.000 . 1 . . . B 45 LEU CG . 18709 1 1570 . 2 2 45 45 LEU CD1 C 13 25.229 0.012 . 1 . . . B 45 LEU CD1 . 18709 1 1571 . 2 2 45 45 LEU CD2 C 13 23.442 0.008 . 1 . . . B 45 LEU CD2 . 18709 1 1572 . 2 2 45 45 LEU N N 15 122.160 0.035 . 1 . . . B 45 LEU N . 18709 1 1573 . 2 2 46 46 SER H H 1 8.706 0.014 . 1 . . . B 46 SER H . 18709 1 1574 . 2 2 46 46 SER HA H 1 4.753 0.033 . 1 . . . B 46 SER HA . 18709 1 1575 . 2 2 46 46 SER HB2 H 1 3.887 0.000 . 2 . . . B 46 SER HB2 . 18709 1 1576 . 2 2 46 46 SER HB3 H 1 3.958 0.032 . 2 . . . B 46 SER HB3 . 18709 1 1577 . 2 2 46 46 SER CA C 13 56.011 0.001 . 1 . . . B 46 SER CA . 18709 1 1578 . 2 2 46 46 SER CB C 13 63.582 0.030 . 1 . . . B 46 SER CB . 18709 1 1579 . 2 2 46 46 SER N N 15 118.466 0.051 . 1 . . . B 46 SER N . 18709 1 1580 . 2 2 47 47 PRO HA H 1 4.283 0.008 . 1 . . . B 47 PRO HA . 18709 1 1581 . 2 2 47 47 PRO HB2 H 1 1.941 0.011 . 2 . . . B 47 PRO HB2 . 18709 1 1582 . 2 2 47 47 PRO HB3 H 1 2.232 0.000 . 2 . . . B 47 PRO HB3 . 18709 1 1583 . 2 2 47 47 PRO HG2 H 1 2.022 0.000 . 1 . . . B 47 PRO HG2 . 18709 1 1584 . 2 2 47 47 PRO HG3 H 1 2.022 0.000 . 1 . . . B 47 PRO HG3 . 18709 1 1585 . 2 2 47 47 PRO HD2 H 1 3.631 0.001 . 2 . . . B 47 PRO HD2 . 18709 1 1586 . 2 2 47 47 PRO HD3 H 1 3.792 0.013 . 2 . . . B 47 PRO HD3 . 18709 1 1587 . 2 2 47 47 PRO C C 13 176.926 0.000 . 1 . . . B 47 PRO C . 18709 1 1588 . 2 2 47 47 PRO CA C 13 64.426 0.083 . 1 . . . B 47 PRO CA . 18709 1 1589 . 2 2 47 47 PRO CB C 13 31.797 0.030 . 1 . . . B 47 PRO CB . 18709 1 1590 . 2 2 47 47 PRO CG C 13 27.430 0.100 . 1 . . . B 47 PRO CG . 18709 1 1591 . 2 2 47 47 PRO CD C 13 50.540 0.071 . 1 . . . B 47 PRO CD . 18709 1 1592 . 2 2 48 48 ASP H H 1 8.126 0.005 . 1 . . . B 48 ASP H . 18709 1 1593 . 2 2 48 48 ASP HA H 1 4.471 0.001 . 1 . . . B 48 ASP HA . 18709 1 1594 . 2 2 48 48 ASP HB2 H 1 2.516 0.010 . 2 . . . B 48 ASP HB2 . 18709 1 1595 . 2 2 48 48 ASP HB3 H 1 2.668 0.012 . 2 . . . B 48 ASP HB3 . 18709 1 1596 . 2 2 48 48 ASP C C 13 176.056 0.000 . 1 . . . B 48 ASP C . 18709 1 1597 . 2 2 48 48 ASP CA C 13 55.429 0.005 . 1 . . . B 48 ASP CA . 18709 1 1598 . 2 2 48 48 ASP CB C 13 41.048 0.002 . 1 . . . B 48 ASP CB . 18709 1 1599 . 2 2 48 48 ASP N N 15 117.231 0.031 . 1 . . . B 48 ASP N . 18709 1 1600 . 2 2 49 49 ASP H H 1 7.940 0.006 . 1 . . . B 49 ASP H . 18709 1 1601 . 2 2 49 49 ASP HA H 1 4.506 0.010 . 1 . . . B 49 ASP HA . 18709 1 1602 . 2 2 49 49 ASP HB2 H 1 2.646 0.027 . 2 . . . B 49 ASP HB2 . 18709 1 1603 . 2 2 49 49 ASP HB3 H 1 2.691 0.018 . 2 . . . B 49 ASP HB3 . 18709 1 1604 . 2 2 49 49 ASP C C 13 176.986 0.000 . 1 . . . B 49 ASP C . 18709 1 1605 . 2 2 49 49 ASP CA C 13 54.835 0.011 . 1 . . . B 49 ASP CA . 18709 1 1606 . 2 2 49 49 ASP CB C 13 41.148 0.054 . 1 . . . B 49 ASP CB . 18709 1 1607 . 2 2 49 49 ASP N N 15 119.678 0.062 . 1 . . . B 49 ASP N . 18709 1 1608 . 2 2 50 50 ILE H H 1 7.754 0.008 . 1 . . . B 50 ILE H . 18709 1 1609 . 2 2 50 50 ILE HA H 1 3.823 0.012 . 1 . . . B 50 ILE HA . 18709 1 1610 . 2 2 50 50 ILE HB H 1 1.817 0.004 . 1 . . . B 50 ILE HB . 18709 1 1611 . 2 2 50 50 ILE HG12 H 1 1.070 0.010 . 2 . . . B 50 ILE HG12 . 18709 1 1612 . 2 2 50 50 ILE HG13 H 1 1.416 0.004 . 2 . . . B 50 ILE HG13 . 18709 1 1613 . 2 2 50 50 ILE HG21 H 1 0.792 0.009 . 1 . . . B 50 ILE HG21 . 18709 1 1614 . 2 2 50 50 ILE HG22 H 1 0.792 0.009 . 1 . . . B 50 ILE HG22 . 18709 1 1615 . 2 2 50 50 ILE HG23 H 1 0.792 0.009 . 1 . . . B 50 ILE HG23 . 18709 1 1616 . 2 2 50 50 ILE HD11 H 1 0.768 0.002 . 1 . . . B 50 ILE HD11 . 18709 1 1617 . 2 2 50 50 ILE HD12 H 1 0.768 0.002 . 1 . . . B 50 ILE HD12 . 18709 1 1618 . 2 2 50 50 ILE HD13 H 1 0.768 0.002 . 1 . . . B 50 ILE HD13 . 18709 1 1619 . 2 2 50 50 ILE CA C 13 62.602 0.055 . 1 . . . B 50 ILE CA . 18709 1 1620 . 2 2 50 50 ILE CB C 13 38.452 0.046 . 1 . . . B 50 ILE CB . 18709 1 1621 . 2 2 50 50 ILE CG1 C 13 27.921 0.070 . 1 . . . B 50 ILE CG1 . 18709 1 1622 . 2 2 50 50 ILE CG2 C 13 17.615 0.034 . 1 . . . B 50 ILE CG2 . 18709 1 1623 . 2 2 50 50 ILE CD1 C 13 13.346 0.008 . 1 . . . B 50 ILE CD1 . 18709 1 1624 . 2 2 50 50 ILE N N 15 118.967 0.040 . 1 . . . B 50 ILE N . 18709 1 1625 . 2 2 51 51 GLU H H 1 8.168 0.006 . 1 . . . B 51 GLU H . 18709 1 1626 . 2 2 51 51 GLU HA H 1 3.967 0.005 . 1 . . . B 51 GLU HA . 18709 1 1627 . 2 2 51 51 GLU HB2 H 1 1.899 0.000 . 2 . . . B 51 GLU HB2 . 18709 1 1628 . 2 2 51 51 GLU HB3 H 1 2.024 0.000 . 2 . . . B 51 GLU HB3 . 18709 1 1629 . 2 2 51 51 GLU HG2 H 1 2.178 0.000 . 1 . . . B 51 GLU HG2 . 18709 1 1630 . 2 2 51 51 GLU HG3 H 1 2.177 0.000 . 1 . . . B 51 GLU HG3 . 18709 1 1631 . 2 2 51 51 GLU C C 13 177.545 0.000 . 1 . . . B 51 GLU C . 18709 1 1632 . 2 2 51 51 GLU CA C 13 57.904 0.001 . 1 . . . B 51 GLU CA . 18709 1 1633 . 2 2 51 51 GLU CB C 13 29.691 0.015 . 1 . . . B 51 GLU CB . 18709 1 1634 . 2 2 51 51 GLU CG C 13 36.284 0.027 . 1 . . . B 51 GLU CG . 18709 1 1635 . 2 2 51 51 GLU N N 15 121.128 0.052 . 1 . . . B 51 GLU N . 18709 1 1636 . 2 2 52 52 GLN H H 1 7.970 0.008 . 1 . . . B 52 GLN H . 18709 1 1637 . 2 2 52 52 GLN HA H 1 4.120 0.007 . 1 . . . B 52 GLN HA . 18709 1 1638 . 2 2 52 52 GLN HB2 H 1 1.860 0.001 . 2 . . . B 52 GLN HB2 . 18709 1 1639 . 2 2 52 52 GLN HB3 H 1 1.890 0.008 . 2 . . . B 52 GLN HB3 . 18709 1 1640 . 2 2 52 52 GLN HG2 H 1 2.125 0.000 . 2 . . . B 52 GLN HG2 . 18709 1 1641 . 2 2 52 52 GLN HG3 H 1 2.131 0.004 . 2 . . . B 52 GLN HG3 . 18709 1 1642 . 2 2 52 52 GLN HE21 H 1 6.773 0.000 . 1 . . . B 52 GLN HE21 . 18709 1 1643 . 2 2 52 52 GLN HE22 H 1 7.422 0.000 . 1 . . . B 52 GLN HE22 . 18709 1 1644 . 2 2 52 52 GLN C C 13 175.995 0.000 . 1 . . . B 52 GLN C . 18709 1 1645 . 2 2 52 52 GLN CA C 13 56.620 0.030 . 1 . . . B 52 GLN CA . 18709 1 1646 . 2 2 52 52 GLN CB C 13 28.918 0.015 . 1 . . . B 52 GLN CB . 18709 1 1647 . 2 2 52 52 GLN CG C 13 33.660 0.021 . 1 . . . B 52 GLN CG . 18709 1 1648 . 2 2 52 52 GLN N N 15 117.919 0.025 . 1 . . . B 52 GLN N . 18709 1 1649 . 2 2 52 52 GLN NE2 N 15 111.890 0.001 . 1 . . . B 52 GLN NE2 . 18709 1 1650 . 2 2 53 53 TRP H H 1 7.871 0.013 . 1 . . . B 53 TRP H . 18709 1 1651 . 2 2 53 53 TRP HA H 1 4.555 0.006 . 1 . . . B 53 TRP HA . 18709 1 1652 . 2 2 53 53 TRP HB2 H 1 3.020 0.000 . 1 . . . B 53 TRP HB2 . 18709 1 1653 . 2 2 53 53 TRP HB3 H 1 3.021 0.005 . 1 . . . B 53 TRP HB3 . 18709 1 1654 . 2 2 53 53 TRP HD1 H 1 7.016 0.000 . 1 . . . B 53 TRP HD1 . 18709 1 1655 . 2 2 53 53 TRP HE1 H 1 10.068 0.000 . 1 . . . B 53 TRP HE1 . 18709 1 1656 . 2 2 53 53 TRP HE3 H 1 7.410 0.000 . 1 . . . B 53 TRP HE3 . 18709 1 1657 . 2 2 53 53 TRP HZ2 H 1 7.348 0.000 . 1 . . . B 53 TRP HZ2 . 18709 1 1658 . 2 2 53 53 TRP HZ3 H 1 6.958 0.000 . 1 . . . B 53 TRP HZ3 . 18709 1 1659 . 2 2 53 53 TRP HH2 H 1 7.060 0.001 . 1 . . . B 53 TRP HH2 . 18709 1 1660 . 2 2 53 53 TRP C C 13 176.049 0.000 . 1 . . . B 53 TRP C . 18709 1 1661 . 2 2 53 53 TRP CA C 13 57.369 0.007 . 1 . . . B 53 TRP CA . 18709 1 1662 . 2 2 53 53 TRP CB C 13 29.725 0.002 . 1 . . . B 53 TRP CB . 18709 1 1663 . 2 2 53 53 TRP CD1 C 13 126.695 0.000 . 1 . . . B 53 TRP CD1 . 18709 1 1664 . 2 2 53 53 TRP CE3 C 13 120.598 0.006 . 1 . . . B 53 TRP CE3 . 18709 1 1665 . 2 2 53 53 TRP CZ2 C 13 114.428 0.005 . 1 . . . B 53 TRP CZ2 . 18709 1 1666 . 2 2 53 53 TRP CZ3 C 13 121.491 0.000 . 1 . . . B 53 TRP CZ3 . 18709 1 1667 . 2 2 53 53 TRP CH2 C 13 124.219 0.000 . 1 . . . B 53 TRP CH2 . 18709 1 1668 . 2 2 53 53 TRP N N 15 119.632 0.043 . 1 . . . B 53 TRP N . 18709 1 1669 . 2 2 53 53 TRP NE1 N 15 128.548 0.003 . 1 . . . B 53 TRP NE1 . 18709 1 1670 . 2 2 54 54 PHE H H 1 7.923 0.005 . 1 . . . B 54 PHE H . 18709 1 1671 . 2 2 54 54 PHE HA H 1 4.643 0.011 . 1 . . . B 54 PHE HA . 18709 1 1672 . 2 2 54 54 PHE HB2 H 1 2.863 0.001 . 2 . . . B 54 PHE HB2 . 18709 1 1673 . 2 2 54 54 PHE HB3 H 1 3.066 0.001 . 2 . . . B 54 PHE HB3 . 18709 1 1674 . 2 2 54 54 PHE HD1 H 1 7.173 0.004 . 3 . . . B 54 PHE HD1 . 18709 1 1675 . 2 2 54 54 PHE HD2 H 1 7.173 0.004 . 3 . . . B 54 PHE HD2 . 18709 1 1676 . 2 2 54 54 PHE HE1 H 1 7.295 0.002 . 3 . . . B 54 PHE HE1 . 18709 1 1677 . 2 2 54 54 PHE HE2 H 1 7.295 0.002 . 3 . . . B 54 PHE HE2 . 18709 1 1678 . 2 2 54 54 PHE HZ H 1 7.125 0.002 . 1 . . . B 54 PHE HZ . 18709 1 1679 . 2 2 54 54 PHE C C 13 175.373 0.000 . 1 . . . B 54 PHE C . 18709 1 1680 . 2 2 54 54 PHE CA C 13 57.525 0.010 . 1 . . . B 54 PHE CA . 18709 1 1681 . 2 2 54 54 PHE CB C 13 39.529 0.032 . 1 . . . B 54 PHE CB . 18709 1 1682 . 2 2 54 54 PHE CD1 C 13 131.843 0.000 . 3 . . . B 54 PHE CD1 . 18709 1 1683 . 2 2 54 54 PHE CD2 C 13 131.843 0.000 . 3 . . . B 54 PHE CD2 . 18709 1 1684 . 2 2 54 54 PHE CE1 C 13 131.286 0.000 . 3 . . . B 54 PHE CE1 . 18709 1 1685 . 2 2 54 54 PHE CE2 C 13 131.286 0.000 . 3 . . . B 54 PHE CE2 . 18709 1 1686 . 2 2 54 54 PHE CZ C 13 129.349 0.000 . 1 . . . B 54 PHE CZ . 18709 1 1687 . 2 2 54 54 PHE N N 15 118.710 0.040 . 1 . . . B 54 PHE N . 18709 1 1688 . 2 2 55 55 THR H H 1 7.887 0.006 . 1 . . . B 55 THR H . 18709 1 1689 . 2 2 55 55 THR HA H 1 4.289 0.000 . 1 . . . B 55 THR HA . 18709 1 1690 . 2 2 55 55 THR HB H 1 4.160 0.006 . 1 . . . B 55 THR HB . 18709 1 1691 . 2 2 55 55 THR HG21 H 1 1.165 0.001 . 1 . . . B 55 THR HG21 . 18709 1 1692 . 2 2 55 55 THR HG22 H 1 1.165 0.001 . 1 . . . B 55 THR HG22 . 18709 1 1693 . 2 2 55 55 THR HG23 H 1 1.165 0.001 . 1 . . . B 55 THR HG23 . 18709 1 1694 . 2 2 55 55 THR C C 13 173.490 0.000 . 1 . . . B 55 THR C . 18709 1 1695 . 2 2 55 55 THR CA C 13 61.819 0.011 . 1 . . . B 55 THR CA . 18709 1 1696 . 2 2 55 55 THR CB C 13 69.891 0.038 . 1 . . . B 55 THR CB . 18709 1 1697 . 2 2 55 55 THR CG2 C 13 21.479 0.000 . 1 . . . B 55 THR CG2 . 18709 1 1698 . 2 2 55 55 THR N N 15 114.621 0.055 . 1 . . . B 55 THR N . 18709 1 1699 . 2 2 56 56 GLU H H 1 8.287 0.003 . 1 . . . B 56 GLU H . 18709 1 1700 . 2 2 56 56 GLU HA H 1 4.242 0.007 . 1 . . . B 56 GLU HA . 18709 1 1701 . 2 2 56 56 GLU HB2 H 1 1.911 0.017 . 2 . . . B 56 GLU HB2 . 18709 1 1702 . 2 2 56 56 GLU HB3 H 1 2.046 0.001 . 2 . . . B 56 GLU HB3 . 18709 1 1703 . 2 2 56 56 GLU HG2 H 1 2.214 0.013 . 2 . . . B 56 GLU HG2 . 18709 1 1704 . 2 2 56 56 GLU HG3 H 1 2.279 0.000 . 2 . . . B 56 GLU HG3 . 18709 1 1705 . 2 2 56 56 GLU C C 13 175.637 0.000 . 1 . . . B 56 GLU C . 18709 1 1706 . 2 2 56 56 GLU CA C 13 56.180 0.000 . 1 . . . B 56 GLU CA . 18709 1 1707 . 2 2 56 56 GLU CB C 13 30.665 0.006 . 1 . . . B 56 GLU CB . 18709 1 1708 . 2 2 56 56 GLU CG C 13 36.303 0.016 . 1 . . . B 56 GLU CG . 18709 1 1709 . 2 2 56 56 GLU N N 15 122.837 0.032 . 1 . . . B 56 GLU N . 18709 1 1710 . 2 2 57 57 ASP H H 1 8.395 0.005 . 1 . . . B 57 ASP H . 18709 1 1711 . 2 2 57 57 ASP HA H 1 4.811 0.000 . 1 . . . B 57 ASP HA . 18709 1 1712 . 2 2 57 57 ASP HB2 H 1 2.513 0.003 . 2 . . . B 57 ASP HB2 . 18709 1 1713 . 2 2 57 57 ASP HB3 H 1 2.723 0.003 . 2 . . . B 57 ASP HB3 . 18709 1 1714 . 2 2 57 57 ASP CA C 13 52.313 0.069 . 1 . . . B 57 ASP CA . 18709 1 1715 . 2 2 57 57 ASP CB C 13 41.177 0.059 . 1 . . . B 57 ASP CB . 18709 1 1716 . 2 2 57 57 ASP N N 15 122.781 0.018 . 1 . . . B 57 ASP N . 18709 1 1717 . 2 2 58 58 PRO HA H 1 4.421 0.007 . 1 . . . B 58 PRO HA . 18709 1 1718 . 2 2 58 58 PRO HB2 H 1 1.902 0.000 . 2 . . . B 58 PRO HB2 . 18709 1 1719 . 2 2 58 58 PRO HB3 H 1 2.231 0.006 . 2 . . . B 58 PRO HB3 . 18709 1 1720 . 2 2 58 58 PRO HG2 H 1 1.992 0.000 . 1 . . . B 58 PRO HG2 . 18709 1 1721 . 2 2 58 58 PRO HG3 H 1 1.992 0.000 . 1 . . . B 58 PRO HG3 . 18709 1 1722 . 2 2 58 58 PRO HD2 H 1 3.638 0.000 . 2 . . . B 58 PRO HD2 . 18709 1 1723 . 2 2 58 58 PRO HD3 H 1 3.768 0.008 . 2 . . . B 58 PRO HD3 . 18709 1 1724 . 2 2 58 58 PRO C C 13 177.538 0.000 . 1 . . . B 58 PRO C . 18709 1 1725 . 2 2 58 58 PRO CA C 13 63.302 0.000 . 1 . . . B 58 PRO CA . 18709 1 1726 . 2 2 58 58 PRO CB C 13 32.229 0.002 . 1 . . . B 58 PRO CB . 18709 1 1727 . 2 2 58 58 PRO CG C 13 26.971 0.000 . 1 . . . B 58 PRO CG . 18709 1 1728 . 2 2 58 58 PRO CD C 13 50.444 0.119 . 1 . . . B 58 PRO CD . 18709 1 1729 . 2 2 59 59 GLY H H 1 8.401 0.004 . 1 . . . B 59 GLY H . 18709 1 1730 . 2 2 59 59 GLY HA2 H 1 4.009 0.000 . 2 . . . B 59 GLY HA2 . 18709 1 1731 . 2 2 59 59 GLY HA3 H 1 4.074 0.000 . 2 . . . B 59 GLY HA3 . 18709 1 1732 . 2 2 59 59 GLY CA C 13 44.480 0.035 . 1 . . . B 59 GLY CA . 18709 1 1733 . 2 2 59 59 GLY N N 15 108.848 0.014 . 1 . . . B 59 GLY N . 18709 1 1734 . 2 2 60 60 PRO HA H 1 4.411 0.000 . 1 . . . B 60 PRO HA . 18709 1 1735 . 2 2 60 60 PRO HB2 H 1 1.911 0.000 . 2 . . . B 60 PRO HB2 . 18709 1 1736 . 2 2 60 60 PRO HB3 H 1 2.253 0.006 . 2 . . . B 60 PRO HB3 . 18709 1 1737 . 2 2 60 60 PRO HG2 H 1 1.983 0.008 . 1 . . . B 60 PRO HG2 . 18709 1 1738 . 2 2 60 60 PRO HG3 H 1 1.983 0.008 . 1 . . . B 60 PRO HG3 . 18709 1 1739 . 2 2 60 60 PRO HD2 H 1 3.586 0.014 . 2 . . . B 60 PRO HD2 . 18709 1 1740 . 2 2 60 60 PRO HD3 H 1 3.620 0.000 . 2 . . . B 60 PRO HD3 . 18709 1 1741 . 2 2 60 60 PRO C C 13 177.195 0.000 . 1 . . . B 60 PRO C . 18709 1 1742 . 2 2 60 60 PRO CA C 13 63.320 0.002 . 1 . . . B 60 PRO CA . 18709 1 1743 . 2 2 60 60 PRO CB C 13 32.165 0.018 . 1 . . . B 60 PRO CB . 18709 1 1744 . 2 2 60 60 PRO CG C 13 27.066 0.034 . 1 . . . B 60 PRO CG . 18709 1 1745 . 2 2 60 60 PRO CD C 13 49.670 0.046 . 1 . . . B 60 PRO CD . 18709 1 1746 . 2 2 61 61 ASP H H 1 8.454 0.004 . 1 . . . . 61 Asp H . 18709 1 1747 . 2 2 61 61 ASP HA H 1 4.579 0.004 . 1 . . . . 61 Asp HA . 18709 1 1748 . 2 2 61 61 ASP HB2 H 1 2.589 0.009 . 2 . . . . 61 Asp HB2 . 18709 1 1749 . 2 2 61 61 ASP HB3 H 1 2.711 0.014 . 2 . . . . 61 Asp HB3 . 18709 1 1750 . 2 2 61 61 ASP C C 13 176.154 0.000 . 1 . . . . 61 Asp C . 18709 1 1751 . 2 2 61 61 ASP CA C 13 54.554 0.047 . 1 . . . . 61 Asp CA . 18709 1 1752 . 2 2 61 61 ASP CB C 13 41.099 0.059 . 1 . . . . 61 Asp CB . 18709 1 1753 . 2 2 61 61 ASP N N 15 119.570 0.014 . 1 . . . . 61 Asp N . 18709 1 1754 . 2 2 62 62 GLU H H 1 8.143 0.005 . 1 . . . . 62 Glu H . 18709 1 1755 . 2 2 62 62 GLU HA H 1 4.275 0.005 . 1 . . . . 62 Glu HA . 18709 1 1756 . 2 2 62 62 GLU HB2 H 1 1.908 0.003 . 2 . . . . 62 Glu HB2 . 18709 1 1757 . 2 2 62 62 GLU HB3 H 1 2.029 0.002 . 2 . . . . 62 Glu HB3 . 18709 1 1758 . 2 2 62 62 GLU HG2 H 1 2.215 0.011 . 2 . . . . 62 Glu HG2 . 18709 1 1759 . 2 2 62 62 GLU HG3 H 1 2.276 0.002 . 2 . . . . 62 Glu HG3 . 18709 1 1760 . 2 2 62 62 GLU C C 13 175.731 0.000 . 1 . . . . 62 Glu C . 18709 1 1761 . 2 2 62 62 GLU CA C 13 56.100 0.002 . 1 . . . . 62 Glu CA . 18709 1 1762 . 2 2 62 62 GLU CB C 13 30.770 0.001 . 1 . . . . 62 Glu CB . 18709 1 1763 . 2 2 62 62 GLU CG C 13 36.282 0.000 . 1 . . . . 62 Glu CG . 18709 1 1764 . 2 2 62 62 GLU N N 15 120.545 0.016 . 1 . . . . 62 Glu N . 18709 1 1765 . 2 2 63 63 ALA H H 1 8.282 0.005 . 1 . . . . 63 Ala H . 18709 1 1766 . 2 2 63 63 ALA HA H 1 4.580 0.004 . 1 . . . . 63 Ala HA . 18709 1 1767 . 2 2 63 63 ALA HB1 H 1 1.360 0.006 . 1 . . . . 63 Ala HB1 . 18709 1 1768 . 2 2 63 63 ALA HB2 H 1 1.360 0.006 . 1 . . . . 63 Ala HB2 . 18709 1 1769 . 2 2 63 63 ALA HB3 H 1 1.360 0.006 . 1 . . . . 63 Ala HB3 . 18709 1 1770 . 2 2 63 63 ALA CA C 13 50.531 0.170 . 1 . . . . 63 Ala CA . 18709 1 1771 . 2 2 63 63 ALA CB C 13 18.149 0.015 . 1 . . . . 63 Ala CB . 18709 1 1772 . 2 2 63 63 ALA N N 15 126.231 0.014 . 1 . . . . 63 Ala N . 18709 1 1773 . 2 2 64 64 PRO HA H 1 4.382 0.010 . 1 . . . . 64 Pro HA . 18709 1 1774 . 2 2 64 64 PRO HB2 H 1 1.911 0.000 . 2 . . . . 64 Pro HB2 . 18709 1 1775 . 2 2 64 64 PRO HB3 H 1 2.298 0.013 . 2 . . . . 64 Pro HB3 . 18709 1 1776 . 2 2 64 64 PRO HG2 H 1 2.010 0.007 . 1 . . . . 64 Pro HG2 . 18709 1 1777 . 2 2 64 64 PRO HG3 H 1 2.010 0.007 . 1 . . . . 64 Pro HG3 . 18709 1 1778 . 2 2 64 64 PRO HD2 H 1 3.632 0.008 . 2 . . . . 64 Pro HD2 . 18709 1 1779 . 2 2 64 64 PRO HD3 H 1 3.791 0.008 . 2 . . . . 64 Pro HD3 . 18709 1 1780 . 2 2 64 64 PRO C C 13 176.915 0.000 . 1 . . . . 64 Pro C . 18709 1 1781 . 2 2 64 64 PRO CA C 13 62.910 0.001 . 1 . . . . 64 Pro CA . 18709 1 1782 . 2 2 64 64 PRO CB C 13 32.074 0.000 . 1 . . . . 64 Pro CB . 18709 1 1783 . 2 2 64 64 PRO CG C 13 27.398 0.000 . 1 . . . . 64 Pro CG . 18709 1 1784 . 2 2 64 64 PRO CD C 13 50.439 0.000 . 1 . . . . 64 Pro CD . 18709 1 1785 . 2 2 65 65 ARG H H 1 8.469 0.005 . 1 . . . . 65 Arg H . 18709 1 1786 . 2 2 65 65 ARG HA H 1 4.322 0.005 . 1 . . . . 65 Arg HA . 18709 1 1787 . 2 2 65 65 ARG HB2 H 1 1.739 0.006 . 2 . . . . 65 Arg HB2 . 18709 1 1788 . 2 2 65 65 ARG HB3 H 1 1.813 0.001 . 2 . . . . 65 Arg HB3 . 18709 1 1789 . 2 2 65 65 ARG HG2 H 1 1.638 0.000 . 2 . . . . 65 Arg HG2 . 18709 1 1790 . 2 2 65 65 ARG HG3 H 1 1.667 0.015 . 2 . . . . 65 Arg HG3 . 18709 1 1791 . 2 2 65 65 ARG HD2 H 1 3.193 0.000 . 1 . . . . 65 Arg HD2 . 18709 1 1792 . 2 2 65 65 ARG HD3 H 1 3.193 0.001 . 1 . . . . 65 Arg HD3 . 18709 1 1793 . 2 2 65 65 ARG C C 13 176.315 0.000 . 1 . . . . 65 Arg C . 18709 1 1794 . 2 2 65 65 ARG CA C 13 55.709 0.054 . 1 . . . . 65 Arg CA . 18709 1 1795 . 2 2 65 65 ARG CB C 13 30.976 0.019 . 1 . . . . 65 Arg CB . 18709 1 1796 . 2 2 65 65 ARG CG C 13 27.130 0.008 . 1 . . . . 65 Arg CG . 18709 1 1797 . 2 2 65 65 ARG CD C 13 43.341 0.022 . 1 . . . . 65 Arg CD . 18709 1 1798 . 2 2 65 65 ARG N N 15 121.536 0.024 . 1 . . . . 65 Arg N . 18709 1 1799 . 2 2 66 66 MET H H 1 8.505 0.005 . 1 . . . . 66 Met H . 18709 1 1800 . 2 2 66 66 MET HA H 1 4.798 0.002 . 1 . . . . 66 Met HA . 18709 1 1801 . 2 2 66 66 MET HB2 H 1 1.963 0.001 . 2 . . . . 66 Met HB2 . 18709 1 1802 . 2 2 66 66 MET HB3 H 1 2.083 0.003 . 2 . . . . 66 Met HB3 . 18709 1 1803 . 2 2 66 66 MET HG2 H 1 2.622 0.000 . 1 . . . . 66 Met HG2 . 18709 1 1804 . 2 2 66 66 MET HG3 H 1 2.622 0.000 . 1 . . . . 66 Met HG3 . 18709 1 1805 . 2 2 66 66 MET HE1 H 1 2.020 0.000 . 1 . . . . 66 Met HE1 . 18709 1 1806 . 2 2 66 66 MET HE2 H 1 2.020 0.000 . 1 . . . . 66 Met HE2 . 18709 1 1807 . 2 2 66 66 MET HE3 H 1 2.020 0.000 . 1 . . . . 66 Met HE3 . 18709 1 1808 . 2 2 66 66 MET CA C 13 53.177 0.016 . 1 . . . . 66 Met CA . 18709 1 1809 . 2 2 66 66 MET CB C 13 32.233 0.007 . 1 . . . . 66 Met CB . 18709 1 1810 . 2 2 66 66 MET CE C 13 14.852 0.000 . 1 . . . . 66 Met CE . 18709 1 1811 . 2 2 66 66 MET N N 15 122.996 0.013 . 1 . . . . 66 Met N . 18709 1 1812 . 2 2 67 67 PRO HA H 1 4.413 0.007 . 1 . . . . 67 Pro HA . 18709 1 1813 . 2 2 67 67 PRO HB2 H 1 1.922 0.000 . 2 . . . . 67 Pro HB2 . 18709 1 1814 . 2 2 67 67 PRO HB3 H 1 2.293 0.006 . 2 . . . . 67 Pro HB3 . 18709 1 1815 . 2 2 67 67 PRO HG2 H 1 1.991 0.008 . 1 . . . . 67 Pro HG2 . 18709 1 1816 . 2 2 67 67 PRO HG3 H 1 2.000 0.000 . 1 . . . . 67 Pro HG3 . 18709 1 1817 . 2 2 67 67 PRO HD2 H 1 3.705 0.004 . 2 . . . . 67 Pro HD2 . 18709 1 1818 . 2 2 67 67 PRO HD3 H 1 3.813 0.000 . 2 . . . . 67 Pro HD3 . 18709 1 1819 . 2 2 67 67 PRO C C 13 176.969 0.000 . 1 . . . . 67 Pro C . 18709 1 1820 . 2 2 67 67 PRO CA C 13 63.152 0.025 . 1 . . . . 67 Pro CA . 18709 1 1821 . 2 2 67 67 PRO CB C 13 32.098 0.019 . 1 . . . . 67 Pro CB . 18709 1 1822 . 2 2 67 67 PRO CG C 13 27.349 0.010 . 1 . . . . 67 Pro CG . 18709 1 1823 . 2 2 67 67 PRO CD C 13 50.713 0.020 . 1 . . . . 67 Pro CD . 18709 1 1824 . 2 2 68 68 GLU H H 1 8.539 0.004 . 1 . . . . 68 Glu H . 18709 1 1825 . 2 2 68 68 GLU HA H 1 4.240 0.012 . 1 . . . . 68 Glu HA . 18709 1 1826 . 2 2 68 68 GLU HB2 H 1 1.966 0.000 . 1 . . . . 68 Glu HB2 . 18709 1 1827 . 2 2 68 68 GLU HG2 H 1 2.292 0.000 . 1 . . . . 68 Glu HG2 . 18709 1 1828 . 2 2 68 68 GLU C C 13 176.224 0.000 . 1 . . . . 68 Glu C . 18709 1 1829 . 2 2 68 68 GLU CA C 13 56.460 0.004 . 1 . . . . 68 Glu CA . 18709 1 1830 . 2 2 68 68 GLU CB C 13 29.964 0.000 . 1 . . . . 68 Glu CB . 18709 1 1831 . 2 2 68 68 GLU CG C 13 31.825 0.000 . 1 . . . . 68 Glu CG . 18709 1 1832 . 2 2 68 68 GLU N N 15 120.890 0.026 . 1 . . . . 68 Glu N . 18709 1 1833 . 2 2 69 69 ALA H H 1 8.329 0.008 . 1 . . . . 69 Ala H . 18709 1 1834 . 2 2 69 69 ALA HA H 1 4.301 0.000 . 1 . . . . 69 Ala HA . 18709 1 1835 . 2 2 69 69 ALA HB1 H 1 1.390 0.000 . 1 . . . . 69 Ala HB1 . 18709 1 1836 . 2 2 69 69 ALA HB2 H 1 1.390 0.000 . 1 . . . . 69 Ala HB2 . 18709 1 1837 . 2 2 69 69 ALA HB3 H 1 1.390 0.000 . 1 . . . . 69 Ala HB3 . 18709 1 1838 . 2 2 69 69 ALA C C 13 177.064 0.000 . 1 . . . . 69 Ala C . 18709 1 1839 . 2 2 69 69 ALA CA C 13 52.138 0.033 . 1 . . . . 69 Ala CA . 18709 1 1840 . 2 2 69 69 ALA CB C 13 19.331 0.000 . 1 . . . . 69 Ala CB . 18709 1 1841 . 2 2 69 69 ALA N N 15 125.243 0.031 . 1 . . . . 69 Ala N . 18709 1 1842 . 2 2 70 70 ALA H H 1 8.279 0.006 . 1 . . . . 70 Ala H . 18709 1 1843 . 2 2 70 70 ALA HA H 1 4.572 0.019 . 1 . . . . 70 Ala HA . 18709 1 1844 . 2 2 70 70 ALA HB1 H 1 1.352 0.002 . 1 . . . . 70 Ala HB1 . 18709 1 1845 . 2 2 70 70 ALA HB2 H 1 1.352 0.002 . 1 . . . . 70 Ala HB2 . 18709 1 1846 . 2 2 70 70 ALA HB3 H 1 1.352 0.002 . 1 . . . . 70 Ala HB3 . 18709 1 1847 . 2 2 70 70 ALA CA C 13 50.294 0.019 . 1 . . . . 70 Ala CA . 18709 1 1848 . 2 2 70 70 ALA CB C 13 18.321 0.000 . 1 . . . . 70 Ala CB . 18709 1 1849 . 2 2 70 70 ALA N N 15 124.753 0.021 . 1 . . . . 70 Ala N . 18709 1 1850 . 2 2 72 72 PRO HA H 1 4.454 0.000 . 1 . . . . 72 Pro HA . 18709 1 1851 . 2 2 72 72 PRO HB2 H 1 1.917 0.000 . 2 . . . . 72 Pro HB2 . 18709 1 1852 . 2 2 72 72 PRO HB3 H 1 2.284 0.000 . 2 . . . . 72 Pro HB3 . 18709 1 1853 . 2 2 72 72 PRO HG2 H 1 1.988 0.000 . 1 . . . . 72 Pro HG2 . 18709 1 1854 . 2 2 72 72 PRO HD2 H 1 3.659 0.000 . 2 . . . . 72 Pro HD2 . 18709 1 1855 . 2 2 72 72 PRO HD3 H 1 3.807 0.000 . 2 . . . . 72 Pro HD3 . 18709 1 1856 . 2 2 72 72 PRO C C 13 176.986 0.000 . 1 . . . . 72 Pro C . 18709 1 1857 . 2 2 72 72 PRO CA C 13 62.789 0.000 . 1 . . . . 72 Pro CA . 18709 1 1858 . 2 2 72 72 PRO CB C 13 31.999 0.021 . 1 . . . . 72 Pro CB . 18709 1 1859 . 2 2 72 72 PRO CG C 13 27.245 0.000 . 1 . . . . 72 Pro CG . 18709 1 1860 . 2 2 72 72 PRO CD C 13 50.423 0.000 . 1 . . . . 72 Pro CD . 18709 1 1861 . 2 2 73 73 VAL H H 1 8.170 0.006 . 1 . . . . 73 Val H . 18709 1 1862 . 2 2 73 73 VAL HA H 1 4.062 0.003 . 1 . . . . 73 Val HA . 18709 1 1863 . 2 2 73 73 VAL HB H 1 2.012 0.007 . 1 . . . . 73 Val HB . 18709 1 1864 . 2 2 73 73 VAL HG11 H 1 0.940 0.000 . 1 . . . . 73 Val HG11 . 18709 1 1865 . 2 2 73 73 VAL HG12 H 1 0.940 0.000 . 1 . . . . 73 Val HG12 . 18709 1 1866 . 2 2 73 73 VAL HG13 H 1 0.940 0.000 . 1 . . . . 73 Val HG13 . 18709 1 1867 . 2 2 73 73 VAL HG21 H 1 0.940 0.000 . 1 . . . . 73 Val HG21 . 18709 1 1868 . 2 2 73 73 VAL HG22 H 1 0.940 0.000 . 1 . . . . 73 Val HG22 . 18709 1 1869 . 2 2 73 73 VAL HG23 H 1 0.940 0.000 . 1 . . . . 73 Val HG23 . 18709 1 1870 . 2 2 73 73 VAL C C 13 175.526 0.000 . 1 . . . . 73 Val C . 18709 1 1871 . 2 2 73 73 VAL CA C 13 61.928 0.018 . 1 . . . . 73 Val CA . 18709 1 1872 . 2 2 73 73 VAL CB C 13 32.826 0.009 . 1 . . . . 73 Val CB . 18709 1 1873 . 2 2 73 73 VAL CG1 C 13 20.999 0.012 . 2 . . . . 73 Val CG1 . 18709 1 1874 . 2 2 73 73 VAL CG2 C 13 20.930 0.070 . 2 . . . . 73 Val CG2 . 18709 1 1875 . 2 2 73 73 VAL N N 15 120.048 0.018 . 1 . . . . 73 Val N . 18709 1 1876 . 2 2 74 74 ALA H H 1 8.403 0.006 . 1 . . . . 74 Ala H . 18709 1 1877 . 2 2 74 74 ALA HA H 1 4.591 0.015 . 1 . . . . 74 Ala HA . 18709 1 1878 . 2 2 74 74 ALA HB1 H 1 1.361 0.007 . 1 . . . . 74 Ala HB1 . 18709 1 1879 . 2 2 74 74 ALA HB2 H 1 1.361 0.007 . 1 . . . . 74 Ala HB2 . 18709 1 1880 . 2 2 74 74 ALA HB3 H 1 1.361 0.007 . 1 . . . . 74 Ala HB3 . 18709 1 1881 . 2 2 74 74 ALA CA C 13 50.322 0.017 . 1 . . . . 74 Ala CA . 18709 1 1882 . 2 2 74 74 ALA CB C 13 18.391 0.015 . 1 . . . . 74 Ala CB . 18709 1 1883 . 2 2 74 74 ALA N N 15 129.229 0.029 . 1 . . . . 74 Ala N . 18709 1 1884 . 2 2 75 75 PRO HA H 1 4.401 0.000 . 1 . . . . 75 Pro HA . 18709 1 1885 . 2 2 75 75 PRO HB2 H 1 1.881 0.000 . 2 . . . . 75 Pro HB2 . 18709 1 1886 . 2 2 75 75 PRO HB3 H 1 2.275 0.000 . 2 . . . . 75 Pro HB3 . 18709 1 1887 . 2 2 75 75 PRO HG2 H 1 1.966 0.000 . 1 . . . . 75 Pro HG2 . 18709 1 1888 . 2 2 75 75 PRO HD2 H 1 3.649 0.000 . 2 . . . . 75 Pro HD2 . 18709 1 1889 . 2 2 75 75 PRO HD3 H 1 3.780 0.000 . 2 . . . . 75 Pro HD3 . 18709 1 1890 . 2 2 75 75 PRO C C 13 176.326 0.000 . 1 . . . . 75 Pro C . 18709 1 1891 . 2 2 75 75 PRO CA C 13 62.661 0.000 . 1 . . . . 75 Pro CA . 18709 1 1892 . 2 2 75 75 PRO CB C 13 32.029 0.000 . 1 . . . . 75 Pro CB . 18709 1 1893 . 2 2 75 75 PRO CG C 13 27.195 0.000 . 1 . . . . 75 Pro CG . 18709 1 1894 . 2 2 75 75 PRO CD C 13 50.320 0.000 . 1 . . . . 75 Pro CD . 18709 1 1895 . 2 2 76 76 ALA H H 1 8.378 0.008 . 1 . . . . 76 Ala H . 18709 1 1896 . 2 2 76 76 ALA HA H 1 4.602 0.000 . 1 . . . . 76 Ala HA . 18709 1 1897 . 2 2 76 76 ALA HB1 H 1 1.364 0.000 . 1 . . . . 76 Ala HB1 . 18709 1 1898 . 2 2 76 76 ALA HB2 H 1 1.364 0.000 . 1 . . . . 76 Ala HB2 . 18709 1 1899 . 2 2 76 76 ALA HB3 H 1 1.364 0.000 . 1 . . . . 76 Ala HB3 . 18709 1 1900 . 2 2 76 76 ALA CA C 13 50.370 0.027 . 1 . . . . 76 Ala CA . 18709 1 1901 . 2 2 76 76 ALA CB C 13 18.227 0.023 . 1 . . . . 76 Ala CB . 18709 1 1902 . 2 2 76 76 ALA N N 15 125.383 0.010 . 1 . . . . 76 Ala N . 18709 1 1903 . 2 2 77 77 PRO HA H 1 4.393 0.000 . 1 . . . . 77 Pro HA . 18709 1 1904 . 2 2 77 77 PRO HB2 H 1 1.919 0.000 . 2 . . . . 77 Pro HB2 . 18709 1 1905 . 2 2 77 77 PRO HB3 H 1 2.298 0.000 . 2 . . . . 77 Pro HB3 . 18709 1 1906 . 2 2 77 77 PRO HG2 H 1 2.029 0.000 . 1 . . . . 77 Pro HG2 . 18709 1 1907 . 2 2 77 77 PRO HD2 H 1 3.684 0.008 . 2 . . . . 77 Pro HD2 . 18709 1 1908 . 2 2 77 77 PRO HD3 H 1 3.816 0.001 . 2 . . . . 77 Pro HD3 . 18709 1 1909 . 2 2 77 77 PRO C C 13 176.590 0.000 . 1 . . . . 77 Pro C . 18709 1 1910 . 2 2 77 77 PRO CA C 13 62.705 0.000 . 1 . . . . 77 Pro CA . 18709 1 1911 . 2 2 77 77 PRO CB C 13 31.893 0.000 . 1 . . . . 77 Pro CB . 18709 1 1912 . 2 2 77 77 PRO CG C 13 27.272 0.000 . 1 . . . . 77 Pro CG . 18709 1 1913 . 2 2 77 77 PRO CD C 13 50.388 0.014 . 1 . . . . 77 Pro CD . 18709 1 1914 . 2 2 78 78 ALA H H 1 8.367 0.002 . 1 . . . . 78 Ala H . 18709 1 1915 . 2 2 78 78 ALA HA H 1 4.280 0.000 . 1 . . . . 78 Ala HA . 18709 1 1916 . 2 2 78 78 ALA HB1 H 1 1.383 0.000 . 1 . . . . 78 Ala HB1 . 18709 1 1917 . 2 2 78 78 ALA HB2 H 1 1.383 0.000 . 1 . . . . 78 Ala HB2 . 18709 1 1918 . 2 2 78 78 ALA HB3 H 1 1.383 0.000 . 1 . . . . 78 Ala HB3 . 18709 1 1919 . 2 2 78 78 ALA C C 13 177.168 0.000 . 1 . . . . 78 Ala C . 18709 1 1920 . 2 2 78 78 ALA CA C 13 52.102 0.000 . 1 . . . . 78 Ala CA . 18709 1 1921 . 2 2 78 78 ALA CB C 13 19.473 0.000 . 1 . . . . 78 Ala CB . 18709 1 1922 . 2 2 78 78 ALA N N 15 124.237 0.008 . 1 . . . . 78 Ala N . 18709 1 1923 . 2 2 79 79 ALA H H 1 8.290 0.012 . 1 . . . . 79 Ala H . 18709 1 1924 . 2 2 79 79 ALA HA H 1 4.581 0.000 . 1 . . . . 79 Ala HA . 18709 1 1925 . 2 2 79 79 ALA HB1 H 1 1.380 0.000 . 1 . . . . 79 Ala HB1 . 18709 1 1926 . 2 2 79 79 ALA HB2 H 1 1.380 0.000 . 1 . . . . 79 Ala HB2 . 18709 1 1927 . 2 2 79 79 ALA HB3 H 1 1.380 0.000 . 1 . . . . 79 Ala HB3 . 18709 1 1928 . 2 2 79 79 ALA CA C 13 50.309 0.014 . 1 . . . . 79 Ala CA . 18709 1 1929 . 2 2 79 79 ALA CB C 13 18.101 0.000 . 1 . . . . 79 Ala CB . 18709 1 1930 . 2 2 79 79 ALA N N 15 124.518 0.036 . 1 . . . . 79 Ala N . 18709 1 1931 . 2 2 80 80 PRO HA H 1 4.469 0.014 . 1 . . . . 80 Pro HA . 18709 1 1932 . 2 2 80 80 PRO HB2 H 1 1.908 0.000 . 2 . . . . 80 Pro HB2 . 18709 1 1933 . 2 2 80 80 PRO HB3 H 1 2.300 0.008 . 2 . . . . 80 Pro HB3 . 18709 1 1934 . 2 2 80 80 PRO HG2 H 1 1.984 0.000 . 1 . . . . 80 Pro HG2 . 18709 1 1935 . 2 2 80 80 PRO HD2 H 1 3.678 0.000 . 2 . . . . 80 Pro HD2 . 18709 1 1936 . 2 2 80 80 PRO HD3 H 1 3.792 0.000 . 2 . . . . 80 Pro HD3 . 18709 1 1937 . 2 2 80 80 PRO C C 13 176.970 0.000 . 1 . . . . 80 Pro C . 18709 1 1938 . 2 2 80 80 PRO CA C 13 62.855 0.016 . 1 . . . . 80 Pro CA . 18709 1 1939 . 2 2 80 80 PRO CB C 13 32.082 0.019 . 1 . . . . 80 Pro CB . 18709 1 1940 . 2 2 80 80 PRO CG C 13 27.276 0.000 . 1 . . . . 80 Pro CG . 18709 1 1941 . 2 2 80 80 PRO CD C 13 50.460 0.000 . 1 . . . . 80 Pro CD . 18709 1 1942 . 2 2 81 81 THR H H 1 8.322 0.006 . 1 . . . . 81 Thr H . 18709 1 1943 . 2 2 81 81 THR HA H 1 4.571 0.000 . 1 . . . . 81 Thr HA . 18709 1 1944 . 2 2 81 81 THR HB H 1 4.142 0.000 . 1 . . . . 81 Thr HB . 18709 1 1945 . 2 2 81 81 THR HG21 H 1 1.270 0.000 . 1 . . . . 81 Thr HG21 . 18709 1 1946 . 2 2 81 81 THR HG22 H 1 1.270 0.000 . 1 . . . . 81 Thr HG22 . 18709 1 1947 . 2 2 81 81 THR HG23 H 1 1.270 0.000 . 1 . . . . 81 Thr HG23 . 18709 1 1948 . 2 2 81 81 THR CA C 13 59.805 0.004 . 1 . . . . 81 Thr CA . 18709 1 1949 . 2 2 81 81 THR CB C 13 69.715 0.019 . 1 . . . . 81 Thr CB . 18709 1 1950 . 2 2 81 81 THR CG2 C 13 21.455 0.000 . 1 . . . . 81 Thr CG2 . 18709 1 1951 . 2 2 81 81 THR N N 15 117.018 0.023 . 1 . . . . 81 Thr N . 18709 1 1952 . 2 2 82 82 PRO HA H 1 4.393 0.000 . 1 . . . . 82 Pro HA . 18709 1 1953 . 2 2 82 82 PRO HB2 H 1 1.927 0.000 . 2 . . . . 82 Pro HB2 . 18709 1 1954 . 2 2 82 82 PRO HB3 H 1 2.306 0.008 . 2 . . . . 82 Pro HB3 . 18709 1 1955 . 2 2 82 82 PRO HG2 H 1 1.975 0.000 . 1 . . . . 82 Pro HG2 . 18709 1 1956 . 2 2 82 82 PRO HD2 H 1 3.703 0.000 . 2 . . . . 82 Pro HD2 . 18709 1 1957 . 2 2 82 82 PRO HD3 H 1 3.860 0.000 . 2 . . . . 82 Pro HD3 . 18709 1 1958 . 2 2 82 82 PRO C C 13 176.602 0.000 . 1 . . . . 82 Pro C . 18709 1 1959 . 2 2 82 82 PRO CA C 13 62.976 0.000 . 1 . . . . 82 Pro CA . 18709 1 1960 . 2 2 82 82 PRO CB C 13 32.119 0.023 . 1 . . . . 82 Pro CB . 18709 1 1961 . 2 2 82 82 PRO CG C 13 27.304 0.000 . 1 . . . . 82 Pro CG . 18709 1 1962 . 2 2 82 82 PRO CD C 13 50.835 0.028 . 1 . . . . 82 Pro CD . 18709 1 1963 . 2 2 83 83 ALA H H 1 8.367 0.005 . 1 . . . . 83 Ala H . 18709 1 1964 . 2 2 83 83 ALA HA H 1 4.287 0.000 . 1 . . . . 83 Ala HA . 18709 1 1965 . 2 2 83 83 ALA HB1 H 1 1.379 0.003 . 1 . . . . 83 Ala HB1 . 18709 1 1966 . 2 2 83 83 ALA HB2 H 1 1.379 0.003 . 1 . . . . 83 Ala HB2 . 18709 1 1967 . 2 2 83 83 ALA HB3 H 1 1.379 0.003 . 1 . . . . 83 Ala HB3 . 18709 1 1968 . 2 2 83 83 ALA C C 13 177.334 0.000 . 1 . . . . 83 Ala C . 18709 1 1969 . 2 2 83 83 ALA CA C 13 52.161 0.025 . 1 . . . . 83 Ala CA . 18709 1 1970 . 2 2 83 83 ALA CB C 13 19.298 0.021 . 1 . . . . 83 Ala CB . 18709 1 1971 . 2 2 83 83 ALA N N 15 124.221 0.010 . 1 . . . . 83 Ala N . 18709 1 1972 . 2 2 84 84 ALA H H 1 8.270 0.005 . 1 . . . . 84 Ala H . 18709 1 1973 . 2 2 84 84 ALA HA H 1 4.590 0.000 . 1 . . . . 84 Ala HA . 18709 1 1974 . 2 2 84 84 ALA HB1 H 1 1.361 0.000 . 1 . . . . 84 Ala HB1 . 18709 1 1975 . 2 2 84 84 ALA HB2 H 1 1.361 0.000 . 1 . . . . 84 Ala HB2 . 18709 1 1976 . 2 2 84 84 ALA HB3 H 1 1.361 0.000 . 1 . . . . 84 Ala HB3 . 18709 1 1977 . 2 2 84 84 ALA CA C 13 50.344 0.023 . 1 . . . . 84 Ala CA . 18709 1 1978 . 2 2 84 84 ALA CB C 13 18.037 0.000 . 1 . . . . 84 Ala CB . 18709 1 1979 . 2 2 84 84 ALA N N 15 124.531 0.049 . 1 . . . . 84 Ala N . 18709 1 1980 . 2 2 85 85 PRO HA H 1 4.398 0.000 . 1 . . . . 85 Pro HA . 18709 1 1981 . 2 2 85 85 PRO HB2 H 1 1.884 0.000 . 2 . . . . 85 Pro HB2 . 18709 1 1982 . 2 2 85 85 PRO HB3 H 1 2.274 0.000 . 2 . . . . 85 Pro HB3 . 18709 1 1983 . 2 2 85 85 PRO HG2 H 1 1.965 0.000 . 1 . . . . 85 Pro HG2 . 18709 1 1984 . 2 2 85 85 PRO HD2 H 1 3.650 0.000 . 2 . . . . 85 Pro HD2 . 18709 1 1985 . 2 2 85 85 PRO HD3 H 1 3.781 0.000 . 2 . . . . 85 Pro HD3 . 18709 1 1986 . 2 2 85 85 PRO C C 13 176.332 0.000 . 1 . . . . 85 Pro C . 18709 1 1987 . 2 2 85 85 PRO CA C 13 62.683 0.000 . 1 . . . . 85 Pro CA . 18709 1 1988 . 2 2 85 85 PRO CB C 13 32.043 0.000 . 1 . . . . 85 Pro CB . 18709 1 1989 . 2 2 85 85 PRO CG C 13 27.248 0.000 . 1 . . . . 85 Pro CG . 18709 1 1990 . 2 2 85 85 PRO CD C 13 50.313 0.000 . 1 . . . . 85 Pro CD . 18709 1 1991 . 2 2 86 86 ALA H H 1 8.384 0.006 . 1 . . . . 86 Ala H . 18709 1 1992 . 2 2 86 86 ALA HA H 1 4.594 0.000 . 1 . . . . 86 Ala HA . 18709 1 1993 . 2 2 86 86 ALA HB1 H 1 1.360 0.000 . 1 . . . . 86 Ala HB1 . 18709 1 1994 . 2 2 86 86 ALA HB2 H 1 1.360 0.000 . 1 . . . . 86 Ala HB2 . 18709 1 1995 . 2 2 86 86 ALA HB3 H 1 1.360 0.000 . 1 . . . . 86 Ala HB3 . 18709 1 1996 . 2 2 86 86 ALA CA C 13 50.339 0.035 . 1 . . . . 86 Ala CA . 18709 1 1997 . 2 2 86 86 ALA CB C 13 18.224 0.019 . 1 . . . . 86 Ala CB . 18709 1 1998 . 2 2 86 86 ALA N N 15 125.388 0.009 . 1 . . . . 86 Ala N . 18709 1 1999 . 2 2 87 87 PRO HA H 1 4.401 0.000 . 1 . . . . 87 Pro HA . 18709 1 2000 . 2 2 87 87 PRO HB2 H 1 1.887 0.000 . 2 . . . . 87 Pro HB2 . 18709 1 2001 . 2 2 87 87 PRO HB3 H 1 2.281 0.000 . 2 . . . . 87 Pro HB3 . 18709 1 2002 . 2 2 87 87 PRO HG2 H 1 2.008 0.000 . 1 . . . . 87 Pro HG2 . 18709 1 2003 . 2 2 87 87 PRO HD2 H 1 3.655 0.000 . 2 . . . . 87 Pro HD2 . 18709 1 2004 . 2 2 87 87 PRO HD3 H 1 3.782 0.000 . 2 . . . . 87 Pro HD3 . 18709 1 2005 . 2 2 87 87 PRO C C 13 176.001 0.000 . 1 . . . . 87 Pro C . 18709 1 2006 . 2 2 87 87 PRO CA C 13 62.664 0.000 . 1 . . . . 87 Pro CA . 18709 1 2007 . 2 2 88 88 ALA H H 1 8.323 0.009 . 1 . . . . 88 Ala H . 18709 1 2008 . 2 2 88 88 ALA HA H 1 4.581 0.000 . 1 . . . . 88 Ala HA . 18709 1 2009 . 2 2 88 88 ALA HB1 H 1 1.363 0.000 . 1 . . . . 88 Ala HB1 . 18709 1 2010 . 2 2 88 88 ALA HB2 H 1 1.363 0.000 . 1 . . . . 88 Ala HB2 . 18709 1 2011 . 2 2 88 88 ALA HB3 H 1 1.363 0.000 . 1 . . . . 88 Ala HB3 . 18709 1 2012 . 2 2 88 88 ALA CA C 13 50.373 0.022 . 1 . . . . 88 Ala CA . 18709 1 2013 . 2 2 88 88 ALA CB C 13 18.230 0.000 . 1 . . . . 88 Ala CB . 18709 1 2014 . 2 2 88 88 ALA N N 15 125.205 0.031 . 1 . . . . 88 Ala N . 18709 1 2015 . 2 2 89 89 PRO HA H 1 4.312 0.000 . 1 . . . . 89 Pro HA . 18709 1 2016 . 2 2 89 89 PRO HB2 H 1 2.017 0.000 . 1 . . . . 89 Pro HB2 . 18709 1 2017 . 2 2 89 89 PRO HB3 H 1 2.017 0.000 . 1 . . . . 89 Pro HB3 . 18709 1 2018 . 2 2 89 89 PRO HG2 H 1 1.647 0.000 . 1 . . . . 89 Pro HG2 . 18709 1 2019 . 2 2 89 89 PRO HG3 H 1 1.647 0.000 . 1 . . . . 89 Pro HG3 . 18709 1 2020 . 2 2 89 89 PRO HD2 H 1 3.773 0.000 . 2 . . . . 89 Pro HD2 . 18709 1 2021 . 2 2 89 89 PRO HD3 H 1 3.650 0.000 . 2 . . . . 89 Pro HD3 . 18709 1 2022 . 2 2 89 89 PRO C C 13 176.705 0.000 . 1 . . . . 89 Pro C . 18709 1 2023 . 2 2 89 89 PRO CA C 13 62.953 0.000 . 1 . . . . 89 Pro CA . 18709 1 2024 . 2 2 89 89 PRO CB C 13 31.933 0.000 . 1 . . . . 89 Pro CB . 18709 1 2025 . 2 2 89 89 PRO CG C 13 27.261 0.000 . 1 . . . . 89 Pro CG . 18709 1 2026 . 2 2 90 90 SER H H 1 8.139 0.005 . 1 . . . . 90 Ser H . 18709 1 2027 . 2 2 90 90 SER HA H 1 4.364 0.000 . 1 . . . . 90 Ser HA . 18709 1 2028 . 2 2 90 90 SER HB2 H 1 3.747 0.000 . 1 . . . . 90 Ser HB2 . 18709 1 2029 . 2 2 90 90 SER HB3 H 1 3.747 0.000 . 1 . . . . 90 Ser HB3 . 18709 1 2030 . 2 2 90 90 SER C C 13 173.113 0.000 . 1 . . . . 90 Ser C . 18709 1 2031 . 2 2 90 90 SER CB C 13 63.899 0.001 . 1 . . . . 90 Ser CB . 18709 1 2032 . 2 2 90 90 SER N N 15 115.323 0.015 . 1 . . . . 90 Ser N . 18709 1 2033 . 2 2 91 91 TRP H H 1 8.037 0.004 . 1 . . . . 91 Trp H . 18709 1 2034 . 2 2 91 91 TRP HA H 1 5.011 0.000 . 1 . . . . 91 Trp HA . 18709 1 2035 . 2 2 91 91 TRP HB2 H 1 3.347 0.001 . 2 . . . . 91 Trp HB2 . 18709 1 2036 . 2 2 91 91 TRP HB3 H 1 3.140 0.003 . 2 . . . . 91 Trp HB3 . 18709 1 2037 . 2 2 91 91 TRP HD1 H 1 7.261 0.000 . 1 . . . . 91 Trp HD1 . 18709 1 2038 . 2 2 91 91 TRP HE1 H 1 10.148 0.000 . 1 . . . . 91 Trp HE1 . 18709 1 2039 . 2 2 91 91 TRP HE3 H 1 7.713 0.000 . 1 . . . . 91 Trp HE3 . 18709 1 2040 . 2 2 91 91 TRP HZ2 H 1 7.513 0.000 . 1 . . . . 91 Trp HZ2 . 18709 1 2041 . 2 2 91 91 TRP HZ3 H 1 7.180 0.000 . 1 . . . . 91 Trp HZ3 . 18709 1 2042 . 2 2 91 91 TRP HH2 H 1 7.251 0.000 . 1 . . . . 91 Trp HH2 . 18709 1 2043 . 2 2 91 91 TRP CA C 13 54.725 0.000 . 1 . . . . 91 Trp CA . 18709 1 2044 . 2 2 91 91 TRP CB C 13 29.314 0.060 . 1 . . . . 91 Trp CB . 18709 1 2045 . 2 2 91 91 TRP CD1 C 13 127.477 0.000 . 1 . . . . 91 Trp CD1 . 18709 1 2046 . 2 2 91 91 TRP CE3 C 13 120.902 0.000 . 1 . . . . 91 Trp CE3 . 18709 1 2047 . 2 2 91 91 TRP CZ2 C 13 114.644 0.000 . 1 . . . . 91 Trp CZ2 . 18709 1 2048 . 2 2 91 91 TRP CZ3 C 13 122.116 0.000 . 1 . . . . 91 Trp CZ3 . 18709 1 2049 . 2 2 91 91 TRP CH2 C 13 124.620 0.000 . 1 . . . . 91 Trp CH2 . 18709 1 2050 . 2 2 91 91 TRP N N 15 123.450 0.020 . 1 . . . . 91 Trp N . 18709 1 2051 . 2 2 91 91 TRP NE1 N 15 128.823 0.001 . 1 . . . . 91 Trp NE1 . 18709 1 2052 . 2 2 92 92 PRO HA H 1 4.446 0.000 . 1 . . . . 92 Pro HA . 18709 1 2053 . 2 2 92 92 PRO HB2 H 1 2.240 0.000 . 2 . . . . 92 Pro HB2 . 18709 1 2054 . 2 2 92 92 PRO HB3 H 1 1.977 0.000 . 2 . . . . 92 Pro HB3 . 18709 1 2055 . 2 2 92 92 PRO HG2 H 1 1.977 0.000 . 1 . . . . 92 Pro HG2 . 18709 1 2056 . 2 2 92 92 PRO HG3 H 1 1.977 0.000 . 1 . . . . 92 Pro HG3 . 18709 1 2057 . 2 2 92 92 PRO HD2 H 1 3.781 0.000 . 2 . . . . 92 Pro HD2 . 18709 1 2058 . 2 2 92 92 PRO HD3 H 1 3.502 0.000 . 2 . . . . 92 Pro HD3 . 18709 1 2059 . 2 2 92 92 PRO C C 13 175.851 0.000 . 1 . . . . 92 Pro C . 18709 1 2060 . 2 2 92 92 PRO CA C 13 63.334 0.019 . 1 . . . . 92 Pro CA . 18709 1 2061 . 2 2 92 92 PRO CB C 13 31.844 0.000 . 1 . . . . 92 Pro CB . 18709 1 2062 . 2 2 92 92 PRO CG C 13 27.237 0.000 . 1 . . . . 92 Pro CG . 18709 1 2063 . 2 2 92 92 PRO CD C 13 50.720 0.000 . 1 . . . . 92 Pro CD . 18709 1 2064 . 2 2 93 93 LEU H H 1 7.824 0.006 . 1 . . . . 93 Leu H . 18709 1 2065 . 2 2 93 93 LEU HA H 1 4.218 0.004 . 1 . . . . 93 Leu HA . 18709 1 2066 . 2 2 93 93 LEU HB2 H 1 1.601 0.003 . 1 . . . . 93 Leu HB2 . 18709 1 2067 . 2 2 93 93 LEU HB3 H 1 1.601 0.003 . 1 . . . . 93 Leu HB3 . 18709 1 2068 . 2 2 93 93 LEU HG H 1 1.650 0.007 . 1 . . . . 93 Leu HG . 18709 1 2069 . 2 2 93 93 LEU HD11 H 1 0.921 0.005 . 1 . . . . 93 Leu HD11 . 18709 1 2070 . 2 2 93 93 LEU HD12 H 1 0.921 0.005 . 1 . . . . 93 Leu HD12 . 18709 1 2071 . 2 2 93 93 LEU HD13 H 1 0.921 0.005 . 1 . . . . 93 Leu HD13 . 18709 1 2072 . 2 2 93 93 LEU HD21 H 1 0.902 0.027 . 1 . . . . 93 Leu HD21 . 18709 1 2073 . 2 2 93 93 LEU HD22 H 1 0.902 0.027 . 1 . . . . 93 Leu HD22 . 18709 1 2074 . 2 2 93 93 LEU HD23 H 1 0.902 0.027 . 1 . . . . 93 Leu HD23 . 18709 1 2075 . 2 2 93 93 LEU CA C 13 56.748 0.021 . 1 . . . . 93 Leu CA . 18709 1 2076 . 2 2 93 93 LEU CB C 13 43.517 0.025 . 1 . . . . 93 Leu CB . 18709 1 2077 . 2 2 93 93 LEU CG C 13 27.206 0.038 . 1 . . . . 93 Leu CG . 18709 1 2078 . 2 2 93 93 LEU CD1 C 13 25.184 0.016 . 1 . . . . 93 Leu CD1 . 18709 1 2079 . 2 2 93 93 LEU CD2 C 13 23.598 0.002 . 1 . . . . 93 Leu CD2 . 18709 1 2080 . 2 2 93 93 LEU N N 15 127.919 0.011 . 1 . . . . 93 Leu N . 18709 1 stop_ save_