data_6563 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6563 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Investigation of structure of oxidized ArsC in solution' 'Structure analysis' ; The data from the entries that make up this study were used to determine the structure of oxidized ArsC ; 6563 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'NMR structure' 6563 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6563 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for oxidized ArsC ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-03-18 _Entry.Accession_date 2005-03-21 _Entry.Last_release_date 2007-01-31 _Entry.Original_release_date 2007-01-31 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Changwen Jin . . . 6563 2 You Li . . . 6563 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6563 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 534 6563 '15N chemical shifts' 149 6563 '1H chemical shifts' 938 6563 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-01-31 2005-03-18 original author . 6563 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6563 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16192272 _Citation.Full_citation . _Citation.Title 'Solution structures and backbone dynamics of arsenate reductase from Bacillus subtilis: Reversible conformational switch associates with arsenate reduction.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 280 _Citation.Journal_issue 47 _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 39601 _Citation.Page_last 39608 _Citation.Year 2005 _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 Xianrong Guo . . . 6563 1 2 You Li . . . 6563 1 3 Kuan Peng . . . 6563 1 4 Yunfei Hu . . . 6563 1 5 Congmin Li . . . 6563 1 6 Bin Xia . . . 6563 1 7 Changwen Jin . . . 6563 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6563 _Assembly.ID 1 _Assembly.Name 'arsenate reductase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'free and disulfide bound' _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 'arsenate reductase' 1 $arsenate_reductase . . no native no no . . . 6563 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single 1 1 . 1 CYS 82 82 SG 2 1 . 1 CYS 89 89 SG . . . . . . . . . . 6563 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_arsenate_reductase _Entity.Sf_category entity _Entity.Sf_framecode arsenate_reductase _Entity.Entry_ID 6563 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'arsenate reductase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MENKIIYFLCTGNSCRSQMA EGWAKQYLGDEWKVYSAGIE AHGLNPNAVKAMKEVGIDIS NQTSDIIDSDILNNADLVVT LCGDAADKCPMTPPHVKREH WGFDDPARAQGTEEEKWAFF QRVRDEIGNRLKEFAETGK ; _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 139 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 15028 . arsenate_reductase . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 6563 1 2 no BMRB 6075 . ArsC . . . . . 100.00 139 100.00 100.00 2.97e-99 . . . . 6563 1 3 no PDB 1JL3 . "Crystal Structure Of B. Subtilis Arsc" . . . . . 100.00 139 100.00 100.00 2.97e-99 . . . . 6563 1 4 no PDB 1Z2D . "Solution Structure Of Bacillus Subtilis Arsc In Reduced State" . . . . . 100.00 139 100.00 100.00 2.97e-99 . . . . 6563 1 5 no PDB 1Z2E . "Solution Structure Of Bacillus Subtilis Arsc In Oxidized State" . . . . . 100.00 139 100.00 100.00 2.97e-99 . . . . 6563 1 6 no PDB 2IPA . "Solution Structure Of Trx-Arsc Complex" . . . . . 100.00 139 97.84 97.84 1.81e-96 . . . . 6563 1 7 no DBJ BAA06970 . "ORF109 [Bacillus subtilis]" . . . . . 100.00 139 100.00 100.00 2.97e-99 . . . . 6563 1 8 no DBJ BAA12434 . "YqcM [Bacillus subtilis]" . . . . . 100.00 139 100.00 100.00 2.97e-99 . . . . 6563 1 9 no DBJ BAM58640 . "arsenate reductase [Bacillus subtilis BEST7003]" . . . . . 100.00 139 100.00 100.00 2.97e-99 . . . . 6563 1 10 no EMBL CAB14519 . "thioredoxin-coupled arsenate reductase [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 139 100.00 100.00 2.97e-99 . . . . 6563 1 11 no EMBL CEI57801 . "arsenate reductase ArsC [Bacillus subtilis]" . . . . . 100.00 139 100.00 100.00 2.97e-99 . . . . 6563 1 12 no EMBL CEJ78223 . "arsenate reductase ArsC [Bacillus sp.]" . . . . . 100.00 139 100.00 100.00 2.97e-99 . . . . 6563 1 13 no GB ADV93326 . "arsenate reductase [Bacillus subtilis BSn5]" . . . . . 100.00 139 100.00 100.00 2.97e-99 . . . . 6563 1 14 no GB AFH58698 . "arsenate reductase, partial [uncultured Bacillus sp.]" . . . . . 57.55 80 100.00 100.00 2.76e-51 . . . . 6563 1 15 no GB AFH58699 . "arsenate reductase, partial [uncultured Bacillus sp.]" . . . . . 58.99 82 100.00 100.00 4.16e-53 . . . . 6563 1 16 no GB AFH58701 . "arsenate reductase, partial [uncultured Bacillus sp.]" . . . . . 57.55 80 100.00 100.00 3.83e-51 . . . . 6563 1 17 no GB AFH58702 . "arsenate reductase, partial [uncultured Bacillus sp.]" . . . . . 56.12 78 100.00 100.00 2.83e-49 . . . . 6563 1 18 no REF NP_390455 . "arsenate reductase ArsC [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 139 100.00 100.00 2.97e-99 . . . . 6563 1 19 no REF WP_004398596 . "arsenate reductase [Bacillus subtilis]" . . . . . 100.00 139 100.00 100.00 2.97e-99 . . . . 6563 1 20 no REF WP_015385204 . "thioredoxin-coupled arsenate reductase [Bacillus subtilis]" . . . . . 100.00 142 97.84 100.00 2.52e-97 . . . . 6563 1 21 no REF WP_015483976 . "arsenate reductase [Bacillus subtilis]" . . . . . 100.00 139 97.84 100.00 2.40e-97 . . . . 6563 1 22 no REF WP_029318100 . "arsenate reductase [Bacillus subtilis]" . . . . . 100.00 139 99.28 100.00 9.37e-99 . . . . 6563 1 23 no SP P45947 . "RecName: Full=Protein ArsC; AltName: Full=Arsenate reductase; AltName: Full=Arsenical pump modifier; AltName: Full=Low molecula" . . . . . 100.00 139 100.00 100.00 2.97e-99 . . . . 6563 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 . MET . 6563 1 2 . GLU . 6563 1 3 . ASN . 6563 1 4 . LYS . 6563 1 5 . ILE . 6563 1 6 . ILE . 6563 1 7 . TYR . 6563 1 8 . PHE . 6563 1 9 . LEU . 6563 1 10 . CYS . 6563 1 11 . THR . 6563 1 12 . GLY . 6563 1 13 . ASN . 6563 1 14 . SER . 6563 1 15 . CYS . 6563 1 16 . ARG . 6563 1 17 . SER . 6563 1 18 . GLN . 6563 1 19 . MET . 6563 1 20 . ALA . 6563 1 21 . GLU . 6563 1 22 . GLY . 6563 1 23 . TRP . 6563 1 24 . ALA . 6563 1 25 . LYS . 6563 1 26 . GLN . 6563 1 27 . TYR . 6563 1 28 . LEU . 6563 1 29 . GLY . 6563 1 30 . ASP . 6563 1 31 . GLU . 6563 1 32 . TRP . 6563 1 33 . LYS . 6563 1 34 . VAL . 6563 1 35 . TYR . 6563 1 36 . SER . 6563 1 37 . ALA . 6563 1 38 . GLY . 6563 1 39 . ILE . 6563 1 40 . GLU . 6563 1 41 . ALA . 6563 1 42 . HIS . 6563 1 43 . GLY . 6563 1 44 . LEU . 6563 1 45 . ASN . 6563 1 46 . PRO . 6563 1 47 . ASN . 6563 1 48 . ALA . 6563 1 49 . VAL . 6563 1 50 . LYS . 6563 1 51 . ALA . 6563 1 52 . MET . 6563 1 53 . LYS . 6563 1 54 . GLU . 6563 1 55 . VAL . 6563 1 56 . GLY . 6563 1 57 . ILE . 6563 1 58 . ASP . 6563 1 59 . ILE . 6563 1 60 . SER . 6563 1 61 . ASN . 6563 1 62 . GLN . 6563 1 63 . THR . 6563 1 64 . SER . 6563 1 65 . ASP . 6563 1 66 . ILE . 6563 1 67 . ILE . 6563 1 68 . ASP . 6563 1 69 . SER . 6563 1 70 . ASP . 6563 1 71 . ILE . 6563 1 72 . LEU . 6563 1 73 . ASN . 6563 1 74 . ASN . 6563 1 75 . ALA . 6563 1 76 . ASP . 6563 1 77 . LEU . 6563 1 78 . VAL . 6563 1 79 . VAL . 6563 1 80 . THR . 6563 1 81 . LEU . 6563 1 82 . CYS . 6563 1 83 . GLY . 6563 1 84 . ASP . 6563 1 85 . ALA . 6563 1 86 . ALA . 6563 1 87 . ASP . 6563 1 88 . LYS . 6563 1 89 . CYS . 6563 1 90 . PRO . 6563 1 91 . MET . 6563 1 92 . THR . 6563 1 93 . PRO . 6563 1 94 . PRO . 6563 1 95 . HIS . 6563 1 96 . VAL . 6563 1 97 . LYS . 6563 1 98 . ARG . 6563 1 99 . GLU . 6563 1 100 . HIS . 6563 1 101 . TRP . 6563 1 102 . GLY . 6563 1 103 . PHE . 6563 1 104 . ASP . 6563 1 105 . ASP . 6563 1 106 . PRO . 6563 1 107 . ALA . 6563 1 108 . ARG . 6563 1 109 . ALA . 6563 1 110 . GLN . 6563 1 111 . GLY . 6563 1 112 . THR . 6563 1 113 . GLU . 6563 1 114 . GLU . 6563 1 115 . GLU . 6563 1 116 . LYS . 6563 1 117 . TRP . 6563 1 118 . ALA . 6563 1 119 . PHE . 6563 1 120 . PHE . 6563 1 121 . GLN . 6563 1 122 . ARG . 6563 1 123 . VAL . 6563 1 124 . ARG . 6563 1 125 . ASP . 6563 1 126 . GLU . 6563 1 127 . ILE . 6563 1 128 . GLY . 6563 1 129 . ASN . 6563 1 130 . ARG . 6563 1 131 . LEU . 6563 1 132 . LYS . 6563 1 133 . GLU . 6563 1 134 . PHE . 6563 1 135 . ALA . 6563 1 136 . GLU . 6563 1 137 . THR . 6563 1 138 . GLY . 6563 1 139 . LYS . 6563 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 . MET 1 1 6563 1 . GLU 2 2 6563 1 . ASN 3 3 6563 1 . LYS 4 4 6563 1 . ILE 5 5 6563 1 . ILE 6 6 6563 1 . TYR 7 7 6563 1 . PHE 8 8 6563 1 . LEU 9 9 6563 1 . CYS 10 10 6563 1 . THR 11 11 6563 1 . GLY 12 12 6563 1 . ASN 13 13 6563 1 . SER 14 14 6563 1 . CYS 15 15 6563 1 . ARG 16 16 6563 1 . SER 17 17 6563 1 . GLN 18 18 6563 1 . MET 19 19 6563 1 . ALA 20 20 6563 1 . GLU 21 21 6563 1 . GLY 22 22 6563 1 . TRP 23 23 6563 1 . ALA 24 24 6563 1 . LYS 25 25 6563 1 . GLN 26 26 6563 1 . TYR 27 27 6563 1 . LEU 28 28 6563 1 . GLY 29 29 6563 1 . ASP 30 30 6563 1 . GLU 31 31 6563 1 . TRP 32 32 6563 1 . LYS 33 33 6563 1 . VAL 34 34 6563 1 . TYR 35 35 6563 1 . SER 36 36 6563 1 . ALA 37 37 6563 1 . GLY 38 38 6563 1 . ILE 39 39 6563 1 . GLU 40 40 6563 1 . ALA 41 41 6563 1 . HIS 42 42 6563 1 . GLY 43 43 6563 1 . LEU 44 44 6563 1 . ASN 45 45 6563 1 . PRO 46 46 6563 1 . ASN 47 47 6563 1 . ALA 48 48 6563 1 . VAL 49 49 6563 1 . LYS 50 50 6563 1 . ALA 51 51 6563 1 . MET 52 52 6563 1 . LYS 53 53 6563 1 . GLU 54 54 6563 1 . VAL 55 55 6563 1 . GLY 56 56 6563 1 . ILE 57 57 6563 1 . ASP 58 58 6563 1 . ILE 59 59 6563 1 . SER 60 60 6563 1 . ASN 61 61 6563 1 . GLN 62 62 6563 1 . THR 63 63 6563 1 . SER 64 64 6563 1 . ASP 65 65 6563 1 . ILE 66 66 6563 1 . ILE 67 67 6563 1 . ASP 68 68 6563 1 . SER 69 69 6563 1 . ASP 70 70 6563 1 . ILE 71 71 6563 1 . LEU 72 72 6563 1 . ASN 73 73 6563 1 . ASN 74 74 6563 1 . ALA 75 75 6563 1 . ASP 76 76 6563 1 . LEU 77 77 6563 1 . VAL 78 78 6563 1 . VAL 79 79 6563 1 . THR 80 80 6563 1 . LEU 81 81 6563 1 . CYS 82 82 6563 1 . GLY 83 83 6563 1 . ASP 84 84 6563 1 . ALA 85 85 6563 1 . ALA 86 86 6563 1 . ASP 87 87 6563 1 . LYS 88 88 6563 1 . CYS 89 89 6563 1 . PRO 90 90 6563 1 . MET 91 91 6563 1 . THR 92 92 6563 1 . PRO 93 93 6563 1 . PRO 94 94 6563 1 . HIS 95 95 6563 1 . VAL 96 96 6563 1 . LYS 97 97 6563 1 . ARG 98 98 6563 1 . GLU 99 99 6563 1 . HIS 100 100 6563 1 . TRP 101 101 6563 1 . GLY 102 102 6563 1 . PHE 103 103 6563 1 . ASP 104 104 6563 1 . ASP 105 105 6563 1 . PRO 106 106 6563 1 . ALA 107 107 6563 1 . ARG 108 108 6563 1 . ALA 109 109 6563 1 . GLN 110 110 6563 1 . GLY 111 111 6563 1 . THR 112 112 6563 1 . GLU 113 113 6563 1 . GLU 114 114 6563 1 . GLU 115 115 6563 1 . LYS 116 116 6563 1 . TRP 117 117 6563 1 . ALA 118 118 6563 1 . PHE 119 119 6563 1 . PHE 120 120 6563 1 . GLN 121 121 6563 1 . ARG 122 122 6563 1 . VAL 123 123 6563 1 . ARG 124 124 6563 1 . ASP 125 125 6563 1 . GLU 126 126 6563 1 . ILE 127 127 6563 1 . GLY 128 128 6563 1 . ASN 129 129 6563 1 . ARG 130 130 6563 1 . LEU 131 131 6563 1 . LYS 132 132 6563 1 . GLU 133 133 6563 1 . PHE 134 134 6563 1 . ALA 135 135 6563 1 . GLU 136 136 6563 1 . THR 137 137 6563 1 . GLY 138 138 6563 1 . LYS 139 139 6563 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6563 _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 $arsenate_reductase . 1423 . no . 'Bacillus subtilis strain 168' . . Eubacteria . Bacillus subtilis 168 . . . . . . . . . . . . . . . . . . . . 6563 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 6563 _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 $arsenate_reductase . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6563 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6563 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'arsenate reductase' . . . 1 $arsenate_reductase . . 2 . . mM . . . . 6563 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6563 _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 pH 6.85 0.1 pH 6563 1 temperature 298 0.1 K 6563 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6563 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AV _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500MHz save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6563 _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 1H15N-HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6563 1 2 HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6563 1 3 CBCA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6563 1 4 HBHA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6563 1 5 15N-TOCSY-HSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6563 1 6 CC(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6563 1 7 HC(C)H-COSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6563 1 8 HNCO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6563 1 9 HNCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6563 1 10 HNHA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6563 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6563 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $500MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6563 _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 0.0 . indirect 0.251449530 . . . . . . . . . 6563 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6563 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6563 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6563 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6563 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 GLU HA H 1 4.376 0.03 . 1 . . . . 2 GLU HA . 6563 1 2 . 1 1 2 2 GLU HB2 H 1 2.076 0.03 . 2 . . . . 2 GLU HB2 . 6563 1 3 . 1 1 2 2 GLU HB3 H 1 1.942 0.03 . 2 . . . . 2 GLU HB3 . 6563 1 4 . 1 1 2 2 GLU HG2 H 1 2.334 0.03 . 1 . . . . 2 GLU HG2 . 6563 1 5 . 1 1 2 2 GLU HG3 H 1 2.334 0.03 . 1 . . . . 2 GLU HG3 . 6563 1 6 . 1 1 2 2 GLU C C 13 175.618 0.30 . 1 . . . . 2 GLU C . 6563 1 7 . 1 1 2 2 GLU CA C 13 56.442 0.30 . 1 . . . . 2 GLU CA . 6563 1 8 . 1 1 2 2 GLU CB C 13 30.376 0.30 . 1 . . . . 2 GLU CB . 6563 1 9 . 1 1 2 2 GLU CG C 13 36.676 0.30 . 1 . . . . 2 GLU CG . 6563 1 10 . 1 1 3 3 ASN H H 1 8.454 0.03 . 1 . . . . 3 ASN H . 6563 1 11 . 1 1 3 3 ASN HA H 1 4.858 0.03 . 1 . . . . 3 ASN HA . 6563 1 12 . 1 1 3 3 ASN HB2 H 1 2.778 0.03 . 2 . . . . 3 ASN HB2 . 6563 1 13 . 1 1 3 3 ASN HB3 H 1 2.610 0.03 . 2 . . . . 3 ASN HB3 . 6563 1 14 . 1 1 3 3 ASN HD21 H 1 7.433 0.03 . 2 . . . . 3 ASN HD21 . 6563 1 15 . 1 1 3 3 ASN HD22 H 1 6.972 0.03 . 2 . . . . 3 ASN HD22 . 6563 1 16 . 1 1 3 3 ASN C C 13 174.672 0.30 . 1 . . . . 3 ASN C . 6563 1 17 . 1 1 3 3 ASN CA C 13 53.507 0.30 . 1 . . . . 3 ASN CA . 6563 1 18 . 1 1 3 3 ASN CB C 13 40.591 0.30 . 1 . . . . 3 ASN CB . 6563 1 19 . 1 1 3 3 ASN N N 15 119.943 0.20 . 1 . . . . 3 ASN N . 6563 1 20 . 1 1 3 3 ASN ND2 N 15 112.269 0.20 . 1 . . . . 3 ASN ND2 . 6563 1 21 . 1 1 4 4 LYS H H 1 8.232 0.03 . 1 . . . . 4 LYS H . 6563 1 22 . 1 1 4 4 LYS HA H 1 4.552 0.03 . 1 . . . . 4 LYS HA . 6563 1 23 . 1 1 4 4 LYS HB2 H 1 0.833 0.03 . 2 . . . . 4 LYS HB2 . 6563 1 24 . 1 1 4 4 LYS HB3 H 1 0.399 0.03 . 2 . . . . 4 LYS HB3 . 6563 1 25 . 1 1 4 4 LYS HD2 H 1 0.810 0.03 . 2 . . . . 4 LYS HD2 . 6563 1 26 . 1 1 4 4 LYS HD3 H 1 1.078 0.03 . 2 . . . . 4 LYS HD3 . 6563 1 27 . 1 1 4 4 LYS HE2 H 1 2.265 0.03 . 1 . . . . 4 LYS HE2 . 6563 1 28 . 1 1 4 4 LYS HE3 H 1 2.265 0.03 . 1 . . . . 4 LYS HE3 . 6563 1 29 . 1 1 4 4 LYS C C 13 175.325 0.30 . 1 . . . . 4 LYS C . 6563 1 30 . 1 1 4 4 LYS CA C 13 55.386 0.30 . 1 . . . . 4 LYS CA . 6563 1 31 . 1 1 4 4 LYS CB C 13 34.838 0.30 . 1 . . . . 4 LYS CB . 6563 1 32 . 1 1 4 4 LYS CG C 13 25.045 0.30 . 1 . . . . 4 LYS CG . 6563 1 33 . 1 1 4 4 LYS CD C 13 29.300 0.30 . 1 . . . . 4 LYS CD . 6563 1 34 . 1 1 4 4 LYS CE C 13 41.964 0.30 . 1 . . . . 4 LYS CE . 6563 1 35 . 1 1 4 4 LYS N N 15 122.530 0.20 . 1 . . . . 4 LYS N . 6563 1 36 . 1 1 5 5 ILE H H 1 9.784 0.03 . 1 . . . . 5 ILE H . 6563 1 37 . 1 1 5 5 ILE HA H 1 5.296 0.03 . 1 . . . . 5 ILE HA . 6563 1 38 . 1 1 5 5 ILE HB H 1 1.847 0.03 . 1 . . . . 5 ILE HB . 6563 1 39 . 1 1 5 5 ILE HG12 H 1 1.190 0.03 . 1 . . . . 5 ILE HG12 . 6563 1 40 . 1 1 5 5 ILE HG13 H 1 1.190 0.03 . 1 . . . . 5 ILE HG13 . 6563 1 41 . 1 1 5 5 ILE HG21 H 1 0.906 0.03 . 1 . . . . 5 ILE HG2 . 6563 1 42 . 1 1 5 5 ILE HG22 H 1 0.906 0.03 . 1 . . . . 5 ILE HG2 . 6563 1 43 . 1 1 5 5 ILE HG23 H 1 0.906 0.03 . 1 . . . . 5 ILE HG2 . 6563 1 44 . 1 1 5 5 ILE HD11 H 1 0.942 0.03 . 1 . . . . 5 ILE HD1 . 6563 1 45 . 1 1 5 5 ILE HD12 H 1 0.942 0.03 . 1 . . . . 5 ILE HD1 . 6563 1 46 . 1 1 5 5 ILE HD13 H 1 0.942 0.03 . 1 . . . . 5 ILE HD1 . 6563 1 47 . 1 1 5 5 ILE C C 13 176.137 0.30 . 1 . . . . 5 ILE C . 6563 1 48 . 1 1 5 5 ILE CA C 13 61.374 0.30 . 1 . . . . 5 ILE CA . 6563 1 49 . 1 1 5 5 ILE CB C 13 42.474 0.30 . 1 . . . . 5 ILE CB . 6563 1 50 . 1 1 5 5 ILE CG1 C 13 29.200 0.30 . 1 . . . . 5 ILE CG1 . 6563 1 51 . 1 1 5 5 ILE CG2 C 13 17.775 0.30 . 1 . . . . 5 ILE CG2 . 6563 1 52 . 1 1 5 5 ILE CD1 C 13 14.416 0.30 . 1 . . . . 5 ILE CD1 . 6563 1 53 . 1 1 5 5 ILE N N 15 123.520 0.20 . 1 . . . . 5 ILE N . 6563 1 54 . 1 1 6 6 ILE H H 1 9.165 0.03 . 1 . . . . 6 ILE H . 6563 1 55 . 1 1 6 6 ILE HA H 1 5.624 0.03 . 1 . . . . 6 ILE HA . 6563 1 56 . 1 1 6 6 ILE HB H 1 1.947 0.03 . 1 . . . . 6 ILE HB . 6563 1 57 . 1 1 6 6 ILE HG12 H 1 -0.094 0.03 . 1 . . . . 6 ILE HG12 . 6563 1 58 . 1 1 6 6 ILE HG13 H 1 -0.094 0.03 . 1 . . . . 6 ILE HG13 . 6563 1 59 . 1 1 6 6 ILE HG21 H 1 0.984 0.03 . 1 . . . . 6 ILE HG2 . 6563 1 60 . 1 1 6 6 ILE HG22 H 1 0.984 0.03 . 1 . . . . 6 ILE HG2 . 6563 1 61 . 1 1 6 6 ILE HG23 H 1 0.984 0.03 . 1 . . . . 6 ILE HG2 . 6563 1 62 . 1 1 6 6 ILE HD11 H 1 0.034 0.03 . 1 . . . . 6 ILE HD1 . 6563 1 63 . 1 1 6 6 ILE HD12 H 1 0.034 0.03 . 1 . . . . 6 ILE HD1 . 6563 1 64 . 1 1 6 6 ILE HD13 H 1 0.034 0.03 . 1 . . . . 6 ILE HD1 . 6563 1 65 . 1 1 6 6 ILE C C 13 171.409 0.30 . 1 . . . . 6 ILE C . 6563 1 66 . 1 1 6 6 ILE CA C 13 58.204 0.30 . 1 . . . . 6 ILE CA . 6563 1 67 . 1 1 6 6 ILE CB C 13 40.709 0.30 . 1 . . . . 6 ILE CB . 6563 1 68 . 1 1 6 6 ILE CG1 C 13 27.665 0.30 . 1 . . . . 6 ILE CG1 . 6563 1 69 . 1 1 6 6 ILE CG2 C 13 17.106 0.30 . 1 . . . . 6 ILE CG2 . 6563 1 70 . 1 1 6 6 ILE CD1 C 13 15.421 0.30 . 1 . . . . 6 ILE CD1 . 6563 1 71 . 1 1 6 6 ILE N N 15 129.193 0.20 . 1 . . . . 6 ILE N . 6563 1 72 . 1 1 7 7 TYR H H 1 8.326 0.03 . 1 . . . . 7 TYR H . 6563 1 73 . 1 1 7 7 TYR HA H 1 5.627 0.03 . 1 . . . . 7 TYR HA . 6563 1 74 . 1 1 7 7 TYR HB2 H 1 3.440 0.03 . 2 . . . . 7 TYR HB2 . 6563 1 75 . 1 1 7 7 TYR HB3 H 1 2.371 0.03 . 2 . . . . 7 TYR HB3 . 6563 1 76 . 1 1 7 7 TYR HD1 H 1 6.793 0.03 . 1 . . . . 7 TYR HD1 . 6563 1 77 . 1 1 7 7 TYR HD2 H 1 6.793 0.03 . 1 . . . . 7 TYR HD2 . 6563 1 78 . 1 1 7 7 TYR HE1 H 1 6.601 0.03 . 1 . . . . 7 TYR HE1 . 6563 1 79 . 1 1 7 7 TYR HE2 H 1 6.601 0.03 . 1 . . . . 7 TYR HE2 . 6563 1 80 . 1 1 7 7 TYR HH H 1 9.895 0.03 . 1 . . . . 7 TYR HH . 6563 1 81 . 1 1 7 7 TYR C C 13 174.486 0.30 . 1 . . . . 7 TYR C . 6563 1 82 . 1 1 7 7 TYR CA C 13 50.924 0.30 . 1 . . . . 7 TYR CA . 6563 1 83 . 1 1 7 7 TYR CB C 13 41.648 0.30 . 1 . . . . 7 TYR CB . 6563 1 84 . 1 1 7 7 TYR N N 15 129.916 0.20 . 1 . . . . 7 TYR N . 6563 1 85 . 1 1 8 8 PHE H H 1 9.187 0.03 . 1 . . . . 8 PHE H . 6563 1 86 . 1 1 8 8 PHE HA H 1 5.101 0.03 . 1 . . . . 8 PHE HA . 6563 1 87 . 1 1 8 8 PHE HB2 H 1 2.975 0.03 . 2 . . . . 8 PHE HB2 . 6563 1 88 . 1 1 8 8 PHE HB3 H 1 2.814 0.03 . 2 . . . . 8 PHE HB3 . 6563 1 89 . 1 1 8 8 PHE HD1 H 1 7.532 0.03 . 1 . . . . 8 PHE HD1 . 6563 1 90 . 1 1 8 8 PHE HD2 H 1 7.532 0.03 . 1 . . . . 8 PHE HD2 . 6563 1 91 . 1 1 8 8 PHE HE1 H 1 7.110 0.03 . 1 . . . . 8 PHE HE1 . 6563 1 92 . 1 1 8 8 PHE HE2 H 1 7.110 0.03 . 1 . . . . 8 PHE HE2 . 6563 1 93 . 1 1 8 8 PHE HZ H 1 6.610 0.03 . 1 . . . . 8 PHE HZ . 6563 1 94 . 1 1 8 8 PHE C C 13 179.114 0.30 . 1 . . . . 8 PHE C . 6563 1 95 . 1 1 8 8 PHE CA C 13 58.321 0.30 . 1 . . . . 8 PHE CA . 6563 1 96 . 1 1 8 8 PHE CB C 13 40.826 0.30 . 1 . . . . 8 PHE CB . 6563 1 97 . 1 1 8 8 PHE N N 15 125.639 0.20 . 1 . . . . 8 PHE N . 6563 1 98 . 1 1 9 9 LEU H H 1 9.157 0.03 . 1 . . . . 9 LEU H . 6563 1 99 . 1 1 9 9 LEU HA H 1 5.741 0.03 . 1 . . . . 9 LEU HA . 6563 1 100 . 1 1 9 9 LEU HB2 H 1 1.452 0.03 . 2 . . . . 9 LEU HB2 . 6563 1 101 . 1 1 9 9 LEU HB3 H 1 1.062 0.03 . 2 . . . . 9 LEU HB3 . 6563 1 102 . 1 1 9 9 LEU HG H 1 0.354 0.03 . 1 . . . . 9 LEU HG . 6563 1 103 . 1 1 9 9 LEU HD11 H 1 -0.128 0.03 . 2 . . . . 9 LEU HD1 . 6563 1 104 . 1 1 9 9 LEU HD12 H 1 -0.128 0.03 . 2 . . . . 9 LEU HD1 . 6563 1 105 . 1 1 9 9 LEU HD13 H 1 -0.128 0.03 . 2 . . . . 9 LEU HD1 . 6563 1 106 . 1 1 9 9 LEU HD21 H 1 -0.128 0.03 . 2 . . . . 9 LEU HD2 . 6563 1 107 . 1 1 9 9 LEU HD22 H 1 -0.128 0.03 . 2 . . . . 9 LEU HD2 . 6563 1 108 . 1 1 9 9 LEU HD23 H 1 -0.128 0.03 . 2 . . . . 9 LEU HD2 . 6563 1 109 . 1 1 9 9 LEU C C 13 176.832 0.30 . 1 . . . . 9 LEU C . 6563 1 110 . 1 1 9 9 LEU CA C 13 52.333 0.30 . 1 . . . . 9 LEU CA . 6563 1 111 . 1 1 9 9 LEU CB C 13 47.284 0.30 . 1 . . . . 9 LEU CB . 6563 1 112 . 1 1 9 9 LEU CG C 13 26.201 0.30 . 1 . . . . 9 LEU CG . 6563 1 113 . 1 1 9 9 LEU CD1 C 13 23.287 0.30 . 2 . . . . 9 LEU CD1 . 6563 1 114 . 1 1 9 9 LEU CD2 C 13 18.933 0.30 . 2 . . . . 9 LEU CD2 . 6563 1 115 . 1 1 9 9 LEU N N 15 122.036 0.20 . 1 . . . . 9 LEU N . 6563 1 116 . 1 1 10 10 CYS H H 1 8.435 0.03 . 1 . . . . 10 CYS H . 6563 1 117 . 1 1 10 10 CYS HA H 1 4.702 0.03 . 1 . . . . 10 CYS HA . 6563 1 118 . 1 1 10 10 CYS HB2 H 1 4.307 0.03 . 2 . . . . 10 CYS HB2 . 6563 1 119 . 1 1 10 10 CYS HB3 H 1 2.914 0.03 . 2 . . . . 10 CYS HB3 . 6563 1 120 . 1 1 10 10 CYS C C 13 173.072 0.30 . 1 . . . . 10 CYS C . 6563 1 121 . 1 1 10 10 CYS CA C 13 57.029 0.30 . 1 . . . . 10 CYS CA . 6563 1 122 . 1 1 10 10 CYS CB C 13 30.024 0.30 . 1 . . . . 10 CYS CB . 6563 1 123 . 1 1 10 10 CYS N N 15 121.704 0.20 . 1 . . . . 10 CYS N . 6563 1 124 . 1 1 11 11 THR H H 1 8.596 0.03 . 1 . . . . 11 THR H . 6563 1 125 . 1 1 11 11 THR HA H 1 4.154 0.03 . 1 . . . . 11 THR HA . 6563 1 126 . 1 1 11 11 THR HB H 1 4.210 0.03 . 1 . . . . 11 THR HB . 6563 1 127 . 1 1 11 11 THR HG21 H 1 1.544 0.03 . 1 . . . . 11 THR HG2 . 6563 1 128 . 1 1 11 11 THR HG22 H 1 1.544 0.03 . 1 . . . . 11 THR HG2 . 6563 1 129 . 1 1 11 11 THR HG23 H 1 1.544 0.03 . 1 . . . . 11 THR HG2 . 6563 1 130 . 1 1 11 11 THR C C 13 175.319 0.30 . 1 . . . . 11 THR C . 6563 1 131 . 1 1 11 11 THR CA C 13 66.658 0.30 . 1 . . . . 11 THR CA . 6563 1 132 . 1 1 11 11 THR CB C 13 69.710 0.30 . 1 . . . . 11 THR CB . 6563 1 133 . 1 1 11 11 THR CG2 C 13 24.016 0.30 . 1 . . . . 11 THR CG2 . 6563 1 134 . 1 1 11 11 THR N N 15 117.483 0.20 . 1 . . . . 11 THR N . 6563 1 135 . 1 1 12 12 GLY H H 1 8.216 0.03 . 1 . . . . 12 GLY H . 6563 1 136 . 1 1 12 12 GLY HA2 H 1 5.365 0.03 . 2 . . . . 12 GLY HA2 . 6563 1 137 . 1 1 12 12 GLY HA3 H 1 3.886 0.03 . 2 . . . . 12 GLY HA3 . 6563 1 138 . 1 1 12 12 GLY C C 13 172.228 0.30 . 1 . . . . 12 GLY C . 6563 1 139 . 1 1 12 12 GLY CA C 13 43.335 0.30 . 1 . . . . 12 GLY CA . 6563 1 140 . 1 1 12 12 GLY N N 15 109.704 0.20 . 1 . . . . 12 GLY N . 6563 1 141 . 1 1 13 13 ASN H H 1 8.493 0.03 . 1 . . . . 13 ASN H . 6563 1 142 . 1 1 13 13 ASN HA H 1 5.490 0.03 . 1 . . . . 13 ASN HA . 6563 1 143 . 1 1 13 13 ASN HB2 H 1 2.844 0.03 . 2 . . . . 13 ASN HB2 . 6563 1 144 . 1 1 13 13 ASN HB3 H 1 2.761 0.03 . 2 . . . . 13 ASN HB3 . 6563 1 145 . 1 1 13 13 ASN HD21 H 1 8.152 0.03 . 2 . . . . 13 ASN HD21 . 6563 1 146 . 1 1 13 13 ASN HD22 H 1 5.962 0.03 . 2 . . . . 13 ASN HD22 . 6563 1 147 . 1 1 13 13 ASN C C 13 177.570 0.30 . 1 . . . . 13 ASN C . 6563 1 148 . 1 1 13 13 ASN CA C 13 51.080 0.30 . 1 . . . . 13 ASN CA . 6563 1 149 . 1 1 13 13 ASN CB C 13 40.785 0.30 . 1 . . . . 13 ASN CB . 6563 1 150 . 1 1 13 13 ASN N N 15 115.971 0.20 . 1 . . . . 13 ASN N . 6563 1 151 . 1 1 13 13 ASN ND2 N 15 106.243 0.20 . 1 . . . . 13 ASN ND2 . 6563 1 152 . 1 1 14 14 SER H H 1 9.293 0.03 . 1 . . . . 14 SER H . 6563 1 153 . 1 1 14 14 SER HA H 1 5.296 0.03 . 1 . . . . 14 SER HA . 6563 1 154 . 1 1 14 14 SER HB2 H 1 4.237 0.03 . 2 . . . . 14 SER HB2 . 6563 1 155 . 1 1 14 14 SER HB3 H 1 3.948 0.03 . 2 . . . . 14 SER HB3 . 6563 1 156 . 1 1 14 14 SER C C 13 174.404 0.30 . 1 . . . . 14 SER C . 6563 1 157 . 1 1 14 14 SER CA C 13 61.760 0.30 . 1 . . . . 14 SER CA . 6563 1 158 . 1 1 14 14 SER CB C 13 67.592 0.30 . 1 . . . . 14 SER CB . 6563 1 159 . 1 1 14 14 SER N N 15 120.785 0.20 . 1 . . . . 14 SER N . 6563 1 160 . 1 1 15 15 CYS H H 1 9.562 0.03 . 1 . . . . 15 CYS H . 6563 1 161 . 1 1 15 15 CYS HA H 1 4.894 0.03 . 1 . . . . 15 CYS HA . 6563 1 162 . 1 1 15 15 CYS HB2 H 1 3.424 0.03 . 2 . . . . 15 CYS HB2 . 6563 1 163 . 1 1 15 15 CYS HB3 H 1 3.137 0.03 . 2 . . . . 15 CYS HB3 . 6563 1 164 . 1 1 15 15 CYS C C 13 174.910 0.30 . 1 . . . . 15 CYS C . 6563 1 165 . 1 1 15 15 CYS CA C 13 59.761 0.30 . 1 . . . . 15 CYS CA . 6563 1 166 . 1 1 15 15 CYS CB C 13 28.447 0.30 . 1 . . . . 15 CYS CB . 6563 1 167 . 1 1 15 15 CYS N N 15 120.533 0.20 . 1 . . . . 15 CYS N . 6563 1 168 . 1 1 16 16 ARG H H 1 10.867 0.03 . 1 . . . . 16 ARG H . 6563 1 169 . 1 1 16 16 ARG HA H 1 3.690 0.03 . 1 . . . . 16 ARG HA . 6563 1 170 . 1 1 16 16 ARG HB2 H 1 2.704 0.03 . 2 . . . . 16 ARG HB2 . 6563 1 171 . 1 1 16 16 ARG HB3 H 1 1.824 0.03 . 2 . . . . 16 ARG HB3 . 6563 1 172 . 1 1 16 16 ARG HG2 H 1 1.830 0.03 . 2 . . . . 16 ARG HG2 . 6563 1 173 . 1 1 16 16 ARG HG3 H 1 1.593 0.03 . 2 . . . . 16 ARG HG3 . 6563 1 174 . 1 1 16 16 ARG HD2 H 1 3.141 0.03 . 1 . . . . 16 ARG HD2 . 6563 1 175 . 1 1 16 16 ARG HD3 H 1 3.141 0.03 . 1 . . . . 16 ARG HD3 . 6563 1 176 . 1 1 16 16 ARG HE H 1 8.514 0.03 . 1 . . . . 16 ARG HE . 6563 1 177 . 1 1 16 16 ARG C C 13 178.145 0.30 . 1 . . . . 16 ARG C . 6563 1 178 . 1 1 16 16 ARG CA C 13 60.525 0.30 . 1 . . . . 16 ARG CA . 6563 1 179 . 1 1 16 16 ARG CB C 13 31.570 0.30 . 1 . . . . 16 ARG CB . 6563 1 180 . 1 1 16 16 ARG CG C 13 26.799 0.30 . 1 . . . . 16 ARG CG . 6563 1 181 . 1 1 16 16 ARG CD C 13 36.491 0.30 . 1 . . . . 16 ARG CD . 6563 1 182 . 1 1 16 16 ARG N N 15 127.654 0.20 . 1 . . . . 16 ARG N . 6563 1 183 . 1 1 17 17 SER H H 1 9.952 0.03 . 1 . . . . 17 SER H . 6563 1 184 . 1 1 17 17 SER HA H 1 3.726 0.03 . 1 . . . . 17 SER HA . 6563 1 185 . 1 1 17 17 SER HB2 H 1 3.892 0.03 . 1 . . . . 17 SER HB2 . 6563 1 186 . 1 1 17 17 SER HB3 H 1 3.892 0.03 . 1 . . . . 17 SER HB3 . 6563 1 187 . 1 1 17 17 SER HG H 1 5.957 0.03 . 1 . . . . 17 SER HG . 6563 1 188 . 1 1 17 17 SER C C 13 175.547 0.30 . 1 . . . . 17 SER C . 6563 1 189 . 1 1 17 17 SER CA C 13 61.818 0.30 . 9 . . . . 17 SER CA . 6563 1 190 . 1 1 17 17 SER CB C 13 61.095 0.30 . 9 . . . . 17 SER CB . 6563 1 191 . 1 1 17 17 SER N N 15 114.124 0.20 . 1 . . . . 17 SER N . 6563 1 192 . 1 1 18 18 GLN H H 1 6.091 0.03 . 1 . . . . 18 GLN H . 6563 1 193 . 1 1 18 18 GLN HA H 1 4.233 0.03 . 1 . . . . 18 GLN HA . 6563 1 194 . 1 1 18 18 GLN HB2 H 1 2.005 0.03 . 2 . . . . 18 GLN HB2 . 6563 1 195 . 1 1 18 18 GLN HB3 H 1 1.582 0.03 . 2 . . . . 18 GLN HB3 . 6563 1 196 . 1 1 18 18 GLN HG2 H 1 2.096 0.03 . 2 . . . . 18 GLN HG2 . 6563 1 197 . 1 1 18 18 GLN HG3 H 1 1.832 0.03 . 2 . . . . 18 GLN HG3 . 6563 1 198 . 1 1 18 18 GLN HE21 H 1 6.902 0.03 . 2 . . . . 18 GLN HE21 . 6563 1 199 . 1 1 18 18 GLN HE22 H 1 6.336 0.03 . 2 . . . . 18 GLN HE22 . 6563 1 200 . 1 1 18 18 GLN C C 13 179.445 0.30 . 1 . . . . 18 GLN C . 6563 1 201 . 1 1 18 18 GLN CA C 13 57.734 0.30 . 1 . . . . 18 GLN CA . 6563 1 202 . 1 1 18 18 GLN CB C 13 27.323 0.30 . 1 . . . . 18 GLN CB . 6563 1 203 . 1 1 18 18 GLN CG C 13 30.751 0.30 . 1 . . . . 18 GLN CG . 6563 1 204 . 1 1 18 18 GLN N N 15 119.624 0.20 . 1 . . . . 18 GLN N . 6563 1 205 . 1 1 18 18 GLN NE2 N 15 107.816 0.20 . 1 . . . . 18 GLN NE2 . 6563 1 206 . 1 1 19 19 MET H H 1 8.426 0.03 . 1 . . . . 19 MET H . 6563 1 207 . 1 1 19 19 MET HA H 1 3.913 0.03 . 1 . . . . 19 MET HA . 6563 1 208 . 1 1 19 19 MET HB2 H 1 2.392 0.03 . 2 . . . . 19 MET HB2 . 6563 1 209 . 1 1 19 19 MET HB3 H 1 2.128 0.03 . 2 . . . . 19 MET HB3 . 6563 1 210 . 1 1 19 19 MET HG2 H 1 3.178 0.03 . 1 . . . . 19 MET HG2 . 6563 1 211 . 1 1 19 19 MET HG3 H 1 3.178 0.03 . 1 . . . . 19 MET HG3 . 6563 1 212 . 1 1 19 19 MET HE1 H 1 0.643 0.03 . 1 . . . . 19 MET HE . 6563 1 213 . 1 1 19 19 MET HE2 H 1 0.643 0.03 . 1 . . . . 19 MET HE . 6563 1 214 . 1 1 19 19 MET HE3 H 1 0.643 0.03 . 1 . . . . 19 MET HE . 6563 1 215 . 1 1 19 19 MET C C 13 177.153 0.30 . 1 . . . . 19 MET C . 6563 1 216 . 1 1 19 19 MET CA C 13 60.491 0.30 . 1 . . . . 19 MET CA . 6563 1 217 . 1 1 19 19 MET CB C 13 33.555 0.30 . 9 . . . . 19 MET CB . 6563 1 218 . 1 1 19 19 MET CG C 13 33.555 0.30 . 9 . . . . 19 MET CG . 6563 1 219 . 1 1 19 19 MET CE C 13 15.301 0.30 . 1 . . . . 19 MET CE . 6563 1 220 . 1 1 19 19 MET N N 15 119.634 0.20 . 1 . . . . 19 MET N . 6563 1 221 . 1 1 20 20 ALA H H 1 8.667 0.03 . 1 . . . . 20 ALA H . 6563 1 222 . 1 1 20 20 ALA HA H 1 3.679 0.03 . 1 . . . . 20 ALA HA . 6563 1 223 . 1 1 20 20 ALA HB1 H 1 0.621 0.03 . 1 . . . . 20 ALA HB . 6563 1 224 . 1 1 20 20 ALA HB2 H 1 0.621 0.03 . 1 . . . . 20 ALA HB . 6563 1 225 . 1 1 20 20 ALA HB3 H 1 0.621 0.03 . 1 . . . . 20 ALA HB . 6563 1 226 . 1 1 20 20 ALA C C 13 177.366 0.30 . 1 . . . . 20 ALA C . 6563 1 227 . 1 1 20 20 ALA CA C 13 55.718 0.30 . 1 . . . . 20 ALA CA . 6563 1 228 . 1 1 20 20 ALA CB C 13 17.312 0.30 . 1 . . . . 20 ALA CB . 6563 1 229 . 1 1 20 20 ALA N N 15 120.807 0.20 . 1 . . . . 20 ALA N . 6563 1 230 . 1 1 21 21 GLU H H 1 7.434 0.03 . 1 . . . . 21 GLU H . 6563 1 231 . 1 1 21 21 GLU HA H 1 3.807 0.03 . 1 . . . . 21 GLU HA . 6563 1 232 . 1 1 21 21 GLU HB2 H 1 2.108 0.03 . 1 . . . . 21 GLU HB2 . 6563 1 233 . 1 1 21 21 GLU HB3 H 1 2.108 0.03 . 1 . . . . 21 GLU HB3 . 6563 1 234 . 1 1 21 21 GLU HG2 H 1 2.101 0.03 . 1 . . . . 21 GLU HG2 . 6563 1 235 . 1 1 21 21 GLU HG3 H 1 2.101 0.03 . 1 . . . . 21 GLU HG3 . 6563 1 236 . 1 1 21 21 GLU C C 13 177.538 0.30 . 1 . . . . 21 GLU C . 6563 1 237 . 1 1 21 21 GLU CA C 13 59.580 0.30 . 1 . . . . 21 GLU CA . 6563 1 238 . 1 1 21 21 GLU CB C 13 29.330 0.30 . 1 . . . . 21 GLU CB . 6563 1 239 . 1 1 21 21 GLU CG C 13 35.391 0.30 . 1 . . . . 21 GLU CG . 6563 1 240 . 1 1 21 21 GLU N N 15 117.789 0.20 . 1 . . . . 21 GLU N . 6563 1 241 . 1 1 22 22 GLY H H 1 7.904 0.03 . 1 . . . . 22 GLY H . 6563 1 242 . 1 1 22 22 GLY HA2 H 1 3.813 0.03 . 2 . . . . 22 GLY HA2 . 6563 1 243 . 1 1 22 22 GLY HA3 H 1 3.278 0.03 . 2 . . . . 22 GLY HA3 . 6563 1 244 . 1 1 22 22 GLY C C 13 176.227 0.30 . 1 . . . . 22 GLY C . 6563 1 245 . 1 1 22 22 GLY CA C 13 48.200 0.30 . 1 . . . . 22 GLY CA . 6563 1 246 . 1 1 22 22 GLY N N 15 105.036 0.20 . 1 . . . . 22 GLY N . 6563 1 247 . 1 1 23 23 TRP H H 1 8.820 0.03 . 1 . . . . 23 TRP H . 6563 1 248 . 1 1 23 23 TRP HA H 1 4.573 0.03 . 1 . . . . 23 TRP HA . 6563 1 249 . 1 1 23 23 TRP HB2 H 1 3.204 0.03 . 1 . . . . 23 TRP HB2 . 6563 1 250 . 1 1 23 23 TRP HB3 H 1 3.204 0.03 . 1 . . . . 23 TRP HB3 . 6563 1 251 . 1 1 23 23 TRP HD1 H 1 6.622 0.03 . 1 . . . . 23 TRP HD1 . 6563 1 252 . 1 1 23 23 TRP HE1 H 1 9.340 0.03 . 1 . . . . 23 TRP HE1 . 6563 1 253 . 1 1 23 23 TRP HZ2 H 1 7.438 0.03 . 1 . . . . 23 TRP HZ2 . 6563 1 254 . 1 1 23 23 TRP HH2 H 1 7.674 0.03 . 1 . . . . 23 TRP HH2 . 6563 1 255 . 1 1 23 23 TRP C C 13 174.303 0.30 . 1 . . . . 23 TRP C . 6563 1 256 . 1 1 23 23 TRP CA C 13 59.863 0.30 . 1 . . . . 23 TRP CA . 6563 1 257 . 1 1 23 23 TRP CB C 13 31.943 0.30 . 1 . . . . 23 TRP CB . 6563 1 258 . 1 1 23 23 TRP N N 15 121.572 0.20 . 1 . . . . 23 TRP N . 6563 1 259 . 1 1 23 23 TRP NE1 N 15 125.970 0.20 . 1 . . . . 23 TRP NE1 . 6563 1 260 . 1 1 24 24 ALA H H 1 9.181 0.03 . 1 . . . . 24 ALA H . 6563 1 261 . 1 1 24 24 ALA HA H 1 4.151 0.03 . 1 . . . . 24 ALA HA . 6563 1 262 . 1 1 24 24 ALA HB1 H 1 1.821 0.03 . 1 . . . . 24 ALA HB . 6563 1 263 . 1 1 24 24 ALA HB2 H 1 1.821 0.03 . 1 . . . . 24 ALA HB . 6563 1 264 . 1 1 24 24 ALA HB3 H 1 1.821 0.03 . 1 . . . . 24 ALA HB . 6563 1 265 . 1 1 24 24 ALA C C 13 179.017 0.30 . 1 . . . . 24 ALA C . 6563 1 266 . 1 1 24 24 ALA CA C 13 55.917 0.30 . 1 . . . . 24 ALA CA . 6563 1 267 . 1 1 24 24 ALA CB C 13 20.161 0.30 . 1 . . . . 24 ALA CB . 6563 1 268 . 1 1 24 24 ALA N N 15 122.036 0.20 . 1 . . . . 24 ALA N . 6563 1 269 . 1 1 25 25 LYS H H 1 8.061 0.03 . 1 . . . . 25 LYS H . 6563 1 270 . 1 1 25 25 LYS HA H 1 4.219 0.03 . 1 . . . . 25 LYS HA . 6563 1 271 . 1 1 25 25 LYS HB2 H 1 2.030 0.03 . 1 . . . . 25 LYS HB2 . 6563 1 272 . 1 1 25 25 LYS HB3 H 1 2.030 0.03 . 1 . . . . 25 LYS HB3 . 6563 1 273 . 1 1 25 25 LYS HG2 H 1 1.629 0.03 . 1 . . . . 25 LYS HG2 . 6563 1 274 . 1 1 25 25 LYS HG3 H 1 1.629 0.03 . 1 . . . . 25 LYS HG3 . 6563 1 275 . 1 1 25 25 LYS HD2 H 1 1.813 0.03 . 1 . . . . 25 LYS HD2 . 6563 1 276 . 1 1 25 25 LYS HD3 H 1 1.813 0.03 . 1 . . . . 25 LYS HD3 . 6563 1 277 . 1 1 25 25 LYS HE2 H 1 3.172 0.03 . 1 . . . . 25 LYS HE2 . 6563 1 278 . 1 1 25 25 LYS HE3 H 1 3.172 0.03 . 1 . . . . 25 LYS HE3 . 6563 1 279 . 1 1 25 25 LYS C C 13 178.392 0.30 . 1 . . . . 25 LYS C . 6563 1 280 . 1 1 25 25 LYS CA C 13 59.655 0.30 . 1 . . . . 25 LYS CA . 6563 1 281 . 1 1 25 25 LYS CB C 13 32.638 0.30 . 1 . . . . 25 LYS CB . 6563 1 282 . 1 1 25 25 LYS CG C 13 27.079 0.30 . 1 . . . . 25 LYS CG . 6563 1 283 . 1 1 25 25 LYS CD C 13 30.029 0.30 . 1 . . . . 25 LYS CD . 6563 1 284 . 1 1 25 25 LYS CE C 13 42.390 0.30 . 1 . . . . 25 LYS CE . 6563 1 285 . 1 1 25 25 LYS N N 15 116.584 0.20 . 1 . . . . 25 LYS N . 6563 1 286 . 1 1 26 26 GLN H H 1 7.334 0.03 . 1 . . . . 26 GLN H . 6563 1 287 . 1 1 26 26 GLN HA H 1 4.317 0.03 . 1 . . . . 26 GLN HA . 6563 1 288 . 1 1 26 26 GLN HB2 H 1 2.125 0.03 . 2 . . . . 26 GLN HB2 . 6563 1 289 . 1 1 26 26 GLN HB3 H 1 2.039 0.03 . 2 . . . . 26 GLN HB3 . 6563 1 290 . 1 1 26 26 GLN HG2 H 1 2.177 0.03 . 2 . . . . 26 GLN HG2 . 6563 1 291 . 1 1 26 26 GLN HG3 H 1 2.118 0.03 . 2 . . . . 26 GLN HG3 . 6563 1 292 . 1 1 26 26 GLN HE21 H 1 7.213 0.03 . 2 . . . . 26 GLN HE21 . 6563 1 293 . 1 1 26 26 GLN HE22 H 1 6.911 0.03 . 2 . . . . 26 GLN HE22 . 6563 1 294 . 1 1 26 26 GLN C C 13 177.779 0.30 . 1 . . . . 26 GLN C . 6563 1 295 . 1 1 26 26 GLN CA C 13 57.651 0.30 . 1 . . . . 26 GLN CA . 6563 1 296 . 1 1 26 26 GLN CB C 13 28.908 0.30 . 1 . . . . 26 GLN CB . 6563 1 297 . 1 1 26 26 GLN CG C 13 33.400 0.30 . 1 . . . . 26 GLN CG . 6563 1 298 . 1 1 26 26 GLN N N 15 117.215 0.20 . 1 . . . . 26 GLN N . 6563 1 299 . 1 1 26 26 GLN NE2 N 15 112.397 0.20 . 1 . . . . 26 GLN NE2 . 6563 1 300 . 1 1 27 27 TYR H H 1 8.124 0.03 . 1 . . . . 27 TYR H . 6563 1 301 . 1 1 27 27 TYR HA H 1 4.868 0.03 . 1 . . . . 27 TYR HA . 6563 1 302 . 1 1 27 27 TYR HB2 H 1 3.186 0.03 . 2 . . . . 27 TYR HB2 . 6563 1 303 . 1 1 27 27 TYR HB3 H 1 2.696 0.03 . 2 . . . . 27 TYR HB3 . 6563 1 304 . 1 1 27 27 TYR HD1 H 1 7.214 0.03 . 1 . . . . 27 TYR HD1 . 6563 1 305 . 1 1 27 27 TYR HD2 H 1 7.214 0.03 . 1 . . . . 27 TYR HD2 . 6563 1 306 . 1 1 27 27 TYR HE1 H 1 6.839 0.03 . 1 . . . . 27 TYR HE1 . 6563 1 307 . 1 1 27 27 TYR HE2 H 1 6.839 0.03 . 1 . . . . 27 TYR HE2 . 6563 1 308 . 1 1 27 27 TYR C C 13 177.500 0.30 . 1 . . . . 27 TYR C . 6563 1 309 . 1 1 27 27 TYR CA C 13 59.581 0.30 . 1 . . . . 27 TYR CA . 6563 1 310 . 1 1 27 27 TYR CB C 13 40.775 0.30 . 1 . . . . 27 TYR CB . 6563 1 311 . 1 1 27 27 TYR N N 15 115.566 0.20 . 1 . . . . 27 TYR N . 6563 1 312 . 1 1 28 28 LEU H H 1 8.928 0.03 . 1 . . . . 28 LEU H . 6563 1 313 . 1 1 28 28 LEU HA H 1 4.668 0.03 . 1 . . . . 28 LEU HA . 6563 1 314 . 1 1 28 28 LEU HB2 H 1 2.097 0.03 . 2 . . . . 28 LEU HB2 . 6563 1 315 . 1 1 28 28 LEU HB3 H 1 1.735 0.03 . 2 . . . . 28 LEU HB3 . 6563 1 316 . 1 1 28 28 LEU HG H 1 1.869 0.03 . 1 . . . . 28 LEU HG . 6563 1 317 . 1 1 28 28 LEU HD11 H 1 0.715 0.03 . 2 . . . . 28 LEU HD1 . 6563 1 318 . 1 1 28 28 LEU HD12 H 1 0.715 0.03 . 2 . . . . 28 LEU HD1 . 6563 1 319 . 1 1 28 28 LEU HD13 H 1 0.715 0.03 . 2 . . . . 28 LEU HD1 . 6563 1 320 . 1 1 28 28 LEU HD21 H 1 0.554 0.03 . 2 . . . . 28 LEU HD2 . 6563 1 321 . 1 1 28 28 LEU HD22 H 1 0.554 0.03 . 2 . . . . 28 LEU HD2 . 6563 1 322 . 1 1 28 28 LEU HD23 H 1 0.554 0.03 . 2 . . . . 28 LEU HD2 . 6563 1 323 . 1 1 28 28 LEU C C 13 178.334 0.30 . 1 . . . . 28 LEU C . 6563 1 324 . 1 1 28 28 LEU CA C 13 55.456 0.30 . 1 . . . . 28 LEU CA . 6563 1 325 . 1 1 28 28 LEU CB C 13 40.931 0.30 . 1 . . . . 28 LEU CB . 6563 1 326 . 1 1 28 28 LEU CG C 13 27.501 0.30 . 1 . . . . 28 LEU CG . 6563 1 327 . 1 1 28 28 LEU CD1 C 13 21.601 0.30 . 2 . . . . 28 LEU CD1 . 6563 1 328 . 1 1 28 28 LEU CD2 C 13 25.534 0.30 . 2 . . . . 28 LEU CD2 . 6563 1 329 . 1 1 28 28 LEU N N 15 118.595 0.20 . 1 . . . . 28 LEU N . 6563 1 330 . 1 1 29 29 GLY H H 1 8.352 0.03 . 1 . . . . 29 GLY H . 6563 1 331 . 1 1 29 29 GLY HA2 H 1 4.325 0.03 . 1 . . . . 29 GLY HA2 . 6563 1 332 . 1 1 29 29 GLY HA3 H 1 4.325 0.03 . 1 . . . . 29 GLY HA3 . 6563 1 333 . 1 1 29 29 GLY C C 13 174.574 0.30 . 1 . . . . 29 GLY C . 6563 1 334 . 1 1 29 29 GLY CA C 13 45.634 0.30 . 1 . . . . 29 GLY CA . 6563 1 335 . 1 1 29 29 GLY N N 15 107.708 0.20 . 1 . . . . 29 GLY N . 6563 1 336 . 1 1 30 30 ASP H H 1 8.473 0.03 . 1 . . . . 30 ASP H . 6563 1 337 . 1 1 30 30 ASP HA H 1 4.612 0.03 . 1 . . . . 30 ASP HA . 6563 1 338 . 1 1 30 30 ASP HB2 H 1 2.852 0.03 . 1 . . . . 30 ASP HB2 . 6563 1 339 . 1 1 30 30 ASP HB3 H 1 2.852 0.03 . 1 . . . . 30 ASP HB3 . 6563 1 340 . 1 1 30 30 ASP C C 13 177.107 0.30 . 1 . . . . 30 ASP C . 6563 1 341 . 1 1 30 30 ASP CA C 13 56.122 0.30 . 1 . . . . 30 ASP CA . 6563 1 342 . 1 1 30 30 ASP CB C 13 40.966 0.30 . 1 . . . . 30 ASP CB . 6563 1 343 . 1 1 30 30 ASP N N 15 117.998 0.20 . 1 . . . . 30 ASP N . 6563 1 344 . 1 1 31 31 GLU H H 1 9.324 0.03 . 1 . . . . 31 GLU H . 6563 1 345 . 1 1 31 31 GLU HA H 1 4.361 0.03 . 1 . . . . 31 GLU HA . 6563 1 346 . 1 1 31 31 GLU HB2 H 1 2.119 0.03 . 2 . . . . 31 GLU HB2 . 6563 1 347 . 1 1 31 31 GLU HB3 H 1 2.047 0.03 . 2 . . . . 31 GLU HB3 . 6563 1 348 . 1 1 31 31 GLU HG2 H 1 2.236 0.03 . 1 . . . . 31 GLU HG2 . 6563 1 349 . 1 1 31 31 GLU HG3 H 1 2.236 0.03 . 1 . . . . 31 GLU HG3 . 6563 1 350 . 1 1 31 31 GLU C C 13 175.945 0.30 . 1 . . . . 31 GLU C . 6563 1 351 . 1 1 31 31 GLU CA C 13 57.996 0.30 . 1 . . . . 31 GLU CA . 6563 1 352 . 1 1 31 31 GLU CB C 13 29.627 0.30 . 1 . . . . 31 GLU CB . 6563 1 353 . 1 1 31 31 GLU CG C 13 36.538 0.30 . 1 . . . . 31 GLU CG . 6563 1 354 . 1 1 31 31 GLU N N 15 120.012 0.20 . 1 . . . . 31 GLU N . 6563 1 355 . 1 1 32 32 TRP H H 1 8.005 0.03 . 1 . . . . 32 TRP H . 6563 1 356 . 1 1 32 32 TRP HA H 1 5.155 0.03 . 1 . . . . 32 TRP HA . 6563 1 357 . 1 1 32 32 TRP HB2 H 1 3.116 0.03 . 2 . . . . 32 TRP HB2 . 6563 1 358 . 1 1 32 32 TRP HB3 H 1 3.011 0.03 . 2 . . . . 32 TRP HB3 . 6563 1 359 . 1 1 32 32 TRP HD1 H 1 7.355 0.03 . 1 . . . . 32 TRP HD1 . 6563 1 360 . 1 1 32 32 TRP HE1 H 1 10.256 0.03 . 1 . . . . 32 TRP HE1 . 6563 1 361 . 1 1 32 32 TRP HZ2 H 1 7.650 0.03 . 1 . . . . 32 TRP HZ2 . 6563 1 362 . 1 1 32 32 TRP HZ3 H 1 6.947 0.03 . 1 . . . . 32 TRP HZ3 . 6563 1 363 . 1 1 32 32 TRP HH2 H 1 7.124 0.03 . 1 . . . . 32 TRP HH2 . 6563 1 364 . 1 1 32 32 TRP C C 13 176.129 0.30 . 1 . . . . 32 TRP C . 6563 1 365 . 1 1 32 32 TRP CA C 13 56.574 0.30 . 1 . . . . 32 TRP CA . 6563 1 366 . 1 1 32 32 TRP CB C 13 31.269 0.30 . 1 . . . . 32 TRP CB . 6563 1 367 . 1 1 32 32 TRP N N 15 120.458 0.20 . 1 . . . . 32 TRP N . 6563 1 368 . 1 1 32 32 TRP NE1 N 15 129.295 0.20 . 1 . . . . 32 TRP NE1 . 6563 1 369 . 1 1 33 33 LYS H H 1 9.691 0.03 . 1 . . . . 33 LYS H . 6563 1 370 . 1 1 33 33 LYS HA H 1 4.684 0.03 . 1 . . . . 33 LYS HA . 6563 1 371 . 1 1 33 33 LYS HB2 H 1 1.880 0.03 . 1 . . . . 33 LYS HB2 . 6563 1 372 . 1 1 33 33 LYS HB3 H 1 1.880 0.03 . 1 . . . . 33 LYS HB3 . 6563 1 373 . 1 1 33 33 LYS HG2 H 1 1.442 0.03 . 1 . . . . 33 LYS HG2 . 6563 1 374 . 1 1 33 33 LYS HG3 H 1 1.442 0.03 . 1 . . . . 33 LYS HG3 . 6563 1 375 . 1 1 33 33 LYS HD2 H 1 1.760 0.03 . 1 . . . . 33 LYS HD2 . 6563 1 376 . 1 1 33 33 LYS HD3 H 1 1.760 0.03 . 1 . . . . 33 LYS HD3 . 6563 1 377 . 1 1 33 33 LYS HE2 H 1 3.013 0.03 . 1 . . . . 33 LYS HE2 . 6563 1 378 . 1 1 33 33 LYS HE3 H 1 3.013 0.03 . 1 . . . . 33 LYS HE3 . 6563 1 379 . 1 1 33 33 LYS C C 13 174.820 0.30 . 1 . . . . 33 LYS C . 6563 1 380 . 1 1 33 33 LYS CA C 13 55.065 0.30 . 1 . . . . 33 LYS CA . 6563 1 381 . 1 1 33 33 LYS CB C 13 33.534 0.30 . 1 . . . . 33 LYS CB . 6563 1 382 . 1 1 33 33 LYS CG C 13 25.080 0.30 . 1 . . . . 33 LYS CG . 6563 1 383 . 1 1 33 33 LYS CD C 13 29.175 0.30 . 1 . . . . 33 LYS CD . 6563 1 384 . 1 1 33 33 LYS CE C 13 42.667 0.30 . 1 . . . . 33 LYS CE . 6563 1 385 . 1 1 33 33 LYS N N 15 125.342 0.20 . 1 . . . . 33 LYS N . 6563 1 386 . 1 1 34 34 VAL H H 1 8.310 0.03 . 1 . . . . 34 VAL H . 6563 1 387 . 1 1 34 34 VAL HA H 1 4.751 0.03 . 1 . . . . 34 VAL HA . 6563 1 388 . 1 1 34 34 VAL HB H 1 2.002 0.03 . 1 . . . . 34 VAL HB . 6563 1 389 . 1 1 34 34 VAL HG11 H 1 1.303 0.03 . 2 . . . . 34 VAL HG1 . 6563 1 390 . 1 1 34 34 VAL HG12 H 1 1.303 0.03 . 2 . . . . 34 VAL HG1 . 6563 1 391 . 1 1 34 34 VAL HG13 H 1 1.303 0.03 . 2 . . . . 34 VAL HG1 . 6563 1 392 . 1 1 34 34 VAL HG21 H 1 0.980 0.03 . 2 . . . . 34 VAL HG2 . 6563 1 393 . 1 1 34 34 VAL HG22 H 1 0.980 0.03 . 2 . . . . 34 VAL HG2 . 6563 1 394 . 1 1 34 34 VAL HG23 H 1 0.980 0.03 . 2 . . . . 34 VAL HG2 . 6563 1 395 . 1 1 34 34 VAL C C 13 174.917 0.30 . 1 . . . . 34 VAL C . 6563 1 396 . 1 1 34 34 VAL CA C 13 61.451 0.30 . 1 . . . . 34 VAL CA . 6563 1 397 . 1 1 34 34 VAL CB C 13 33.666 0.30 . 1 . . . . 34 VAL CB . 6563 1 398 . 1 1 34 34 VAL CG1 C 13 23.367 0.30 . 2 . . . . 34 VAL CG1 . 6563 1 399 . 1 1 34 34 VAL CG2 C 13 20.778 0.30 . 2 . . . . 34 VAL CG2 . 6563 1 400 . 1 1 34 34 VAL N N 15 124.502 0.20 . 1 . . . . 34 VAL N . 6563 1 401 . 1 1 35 35 TYR H H 1 8.747 0.03 . 1 . . . . 35 TYR H . 6563 1 402 . 1 1 35 35 TYR HA H 1 5.211 0.03 . 1 . . . . 35 TYR HA . 6563 1 403 . 1 1 35 35 TYR HB2 H 1 3.289 0.03 . 2 . . . . 35 TYR HB2 . 6563 1 404 . 1 1 35 35 TYR HB3 H 1 2.448 0.03 . 2 . . . . 35 TYR HB3 . 6563 1 405 . 1 1 35 35 TYR HD1 H 1 7.042 0.03 . 1 . . . . 35 TYR HD1 . 6563 1 406 . 1 1 35 35 TYR HD2 H 1 7.042 0.03 . 1 . . . . 35 TYR HD2 . 6563 1 407 . 1 1 35 35 TYR HE1 H 1 6.697 0.03 . 1 . . . . 35 TYR HE1 . 6563 1 408 . 1 1 35 35 TYR HE2 H 1 6.697 0.03 . 1 . . . . 35 TYR HE2 . 6563 1 409 . 1 1 35 35 TYR C C 13 175.312 0.30 . 1 . . . . 35 TYR C . 6563 1 410 . 1 1 35 35 TYR CA C 13 56.288 0.30 . 1 . . . . 35 TYR CA . 6563 1 411 . 1 1 35 35 TYR CB C 13 44.436 0.30 . 1 . . . . 35 TYR CB . 6563 1 412 . 1 1 35 35 TYR N N 15 125.343 0.20 . 1 . . . . 35 TYR N . 6563 1 413 . 1 1 36 36 SER H H 1 9.487 0.03 . 1 . . . . 36 SER H . 6563 1 414 . 1 1 36 36 SER HA H 1 6.152 0.03 . 1 . . . . 36 SER HA . 6563 1 415 . 1 1 36 36 SER HB2 H 1 4.208 0.03 . 2 . . . . 36 SER HB2 . 6563 1 416 . 1 1 36 36 SER HB3 H 1 3.885 0.03 . 2 . . . . 36 SER HB3 . 6563 1 417 . 1 1 36 36 SER C C 13 173.437 0.30 . 1 . . . . 36 SER C . 6563 1 418 . 1 1 36 36 SER CA C 13 57.955 0.30 . 1 . . . . 36 SER CA . 6563 1 419 . 1 1 36 36 SER CB C 13 68.536 0.30 . 1 . . . . 36 SER CB . 6563 1 420 . 1 1 36 36 SER N N 15 116.658 0.20 . 1 . . . . 36 SER N . 6563 1 421 . 1 1 37 37 ALA H H 1 8.990 0.03 . 1 . . . . 37 ALA H . 6563 1 422 . 1 1 37 37 ALA HA H 1 4.710 0.03 . 1 . . . . 37 ALA HA . 6563 1 423 . 1 1 37 37 ALA HB1 H 1 1.253 0.03 . 1 . . . . 37 ALA HB . 6563 1 424 . 1 1 37 37 ALA HB2 H 1 1.253 0.03 . 1 . . . . 37 ALA HB . 6563 1 425 . 1 1 37 37 ALA HB3 H 1 1.253 0.03 . 1 . . . . 37 ALA HB . 6563 1 426 . 1 1 37 37 ALA C C 13 174.278 0.30 . 1 . . . . 37 ALA C . 6563 1 427 . 1 1 37 37 ALA CA C 13 52.192 0.30 . 1 . . . . 37 ALA CA . 6563 1 428 . 1 1 37 37 ALA CB C 13 23.779 0.30 . 1 . . . . 37 ALA CB . 6563 1 429 . 1 1 37 37 ALA N N 15 122.975 0.20 . 1 . . . . 37 ALA N . 6563 1 430 . 1 1 38 38 GLY H H 1 8.226 0.03 . 1 . . . . 38 GLY H . 6563 1 431 . 1 1 38 38 GLY HA2 H 1 5.250 0.03 . 2 . . . . 38 GLY HA2 . 6563 1 432 . 1 1 38 38 GLY HA3 H 1 3.312 0.03 . 2 . . . . 38 GLY HA3 . 6563 1 433 . 1 1 38 38 GLY C C 13 174.364 0.30 . 1 . . . . 38 GLY C . 6563 1 434 . 1 1 38 38 GLY CA C 13 43.869 0.30 . 1 . . . . 38 GLY CA . 6563 1 435 . 1 1 38 38 GLY N N 15 103.792 0.20 . 1 . . . . 38 GLY N . 6563 1 436 . 1 1 39 39 ILE H H 1 7.404 0.03 . 1 . . . . 39 ILE H . 6563 1 437 . 1 1 39 39 ILE HA H 1 3.969 0.03 . 1 . . . . 39 ILE HA . 6563 1 438 . 1 1 39 39 ILE HB H 1 2.309 0.03 . 1 . . . . 39 ILE HB . 6563 1 439 . 1 1 39 39 ILE HG12 H 1 1.325 0.03 . 1 . . . . 39 ILE HG12 . 6563 1 440 . 1 1 39 39 ILE HG13 H 1 1.325 0.03 . 1 . . . . 39 ILE HG13 . 6563 1 441 . 1 1 39 39 ILE HG21 H 1 1.091 0.03 . 1 . . . . 39 ILE HG2 . 6563 1 442 . 1 1 39 39 ILE HG22 H 1 1.091 0.03 . 1 . . . . 39 ILE HG2 . 6563 1 443 . 1 1 39 39 ILE HG23 H 1 1.091 0.03 . 1 . . . . 39 ILE HG2 . 6563 1 444 . 1 1 39 39 ILE HD11 H 1 0.930 0.03 . 1 . . . . 39 ILE HD1 . 6563 1 445 . 1 1 39 39 ILE HD12 H 1 0.930 0.03 . 1 . . . . 39 ILE HD1 . 6563 1 446 . 1 1 39 39 ILE HD13 H 1 0.930 0.03 . 1 . . . . 39 ILE HD1 . 6563 1 447 . 1 1 39 39 ILE C C 13 178.565 0.30 . 1 . . . . 39 ILE C . 6563 1 448 . 1 1 39 39 ILE CA C 13 64.544 0.30 . 1 . . . . 39 ILE CA . 6563 1 449 . 1 1 39 39 ILE CB C 13 38.069 0.30 . 1 . . . . 39 ILE CB . 6563 1 450 . 1 1 39 39 ILE CG1 C 13 29.257 0.30 . 1 . . . . 39 ILE CG1 . 6563 1 451 . 1 1 39 39 ILE CG2 C 13 17.959 0.30 . 1 . . . . 39 ILE CG2 . 6563 1 452 . 1 1 39 39 ILE CD1 C 13 14.103 0.30 . 1 . . . . 39 ILE CD1 . 6563 1 453 . 1 1 39 39 ILE N N 15 118.662 0.20 . 1 . . . . 39 ILE N . 6563 1 454 . 1 1 40 40 GLU H H 1 7.914 0.03 . 1 . . . . 40 GLU H . 6563 1 455 . 1 1 40 40 GLU HA H 1 4.378 0.03 . 1 . . . . 40 GLU HA . 6563 1 456 . 1 1 40 40 GLU HB2 H 1 1.849 0.03 . 2 . . . . 40 GLU HB2 . 6563 1 457 . 1 1 40 40 GLU HB3 H 1 1.788 0.03 . 2 . . . . 40 GLU HB3 . 6563 1 458 . 1 1 40 40 GLU HG2 H 1 2.367 0.03 . 2 . . . . 40 GLU HG2 . 6563 1 459 . 1 1 40 40 GLU HG3 H 1 2.272 0.03 . 2 . . . . 40 GLU HG3 . 6563 1 460 . 1 1 40 40 GLU C C 13 173.255 0.30 . 1 . . . . 40 GLU C . 6563 1 461 . 1 1 40 40 GLU CA C 13 54.315 0.30 . 1 . . . . 40 GLU CA . 6563 1 462 . 1 1 40 40 GLU CB C 13 33.288 0.30 . 1 . . . . 40 GLU CB . 6563 1 463 . 1 1 40 40 GLU CG C 13 36.243 0.30 . 1 . . . . 40 GLU CG . 6563 1 464 . 1 1 40 40 GLU N N 15 116.260 0.20 . 1 . . . . 40 GLU N . 6563 1 465 . 1 1 41 41 ALA H H 1 8.060 0.03 . 1 . . . . 41 ALA H . 6563 1 466 . 1 1 41 41 ALA HA H 1 4.562 0.03 . 1 . . . . 41 ALA HA . 6563 1 467 . 1 1 41 41 ALA HB1 H 1 1.086 0.03 . 1 . . . . 41 ALA HB . 6563 1 468 . 1 1 41 41 ALA HB2 H 1 1.086 0.03 . 1 . . . . 41 ALA HB . 6563 1 469 . 1 1 41 41 ALA HB3 H 1 1.086 0.03 . 1 . . . . 41 ALA HB . 6563 1 470 . 1 1 41 41 ALA C C 13 177.613 0.30 . 1 . . . . 41 ALA C . 6563 1 471 . 1 1 41 41 ALA CA C 13 51.099 0.30 . 1 . . . . 41 ALA CA . 6563 1 472 . 1 1 41 41 ALA CB C 13 19.573 0.30 . 1 . . . . 41 ALA CB . 6563 1 473 . 1 1 41 41 ALA N N 15 121.299 0.20 . 1 . . . . 41 ALA N . 6563 1 474 . 1 1 42 42 HIS H H 1 9.172 0.03 . 1 . . . . 42 HIS H . 6563 1 475 . 1 1 42 42 HIS HA H 1 4.868 0.03 . 1 . . . . 42 HIS HA . 6563 1 476 . 1 1 42 42 HIS HB2 H 1 3.576 0.03 . 2 . . . . 42 HIS HB2 . 6563 1 477 . 1 1 42 42 HIS HB3 H 1 2.958 0.03 . 2 . . . . 42 HIS HB3 . 6563 1 478 . 1 1 42 42 HIS HE1 H 1 7.123 0.03 . 1 . . . . 42 HIS HE1 . 6563 1 479 . 1 1 42 42 HIS C C 13 175.907 0.30 . 1 . . . . 42 HIS C . 6563 1 480 . 1 1 42 42 HIS CA C 13 55.643 0.30 . 1 . . . . 42 HIS CA . 6563 1 481 . 1 1 42 42 HIS CB C 13 31.333 0.30 . 1 . . . . 42 HIS CB . 6563 1 482 . 1 1 42 42 HIS N N 15 121.455 0.20 . 1 . . . . 42 HIS N . 6563 1 483 . 1 1 43 43 GLY H H 1 7.874 0.03 . 1 . . . . 43 GLY H . 6563 1 484 . 1 1 43 43 GLY HA2 H 1 4.774 0.03 . 2 . . . . 43 GLY HA2 . 6563 1 485 . 1 1 43 43 GLY HA3 H 1 3.866 0.03 . 2 . . . . 43 GLY HA3 . 6563 1 486 . 1 1 43 43 GLY C C 13 174.389 0.30 . 1 . . . . 43 GLY C . 6563 1 487 . 1 1 43 43 GLY CA C 13 43.913 0.30 . 1 . . . . 43 GLY CA . 6563 1 488 . 1 1 43 43 GLY N N 15 107.578 0.20 . 1 . . . . 43 GLY N . 6563 1 489 . 1 1 44 44 LEU H H 1 9.113 0.03 . 1 . . . . 44 LEU H . 6563 1 490 . 1 1 44 44 LEU HA H 1 4.172 0.03 . 1 . . . . 44 LEU HA . 6563 1 491 . 1 1 44 44 LEU HB2 H 1 1.665 0.03 . 2 . . . . 44 LEU HB2 . 6563 1 492 . 1 1 44 44 LEU HB3 H 1 1.242 0.03 . 2 . . . . 44 LEU HB3 . 6563 1 493 . 1 1 44 44 LEU HG H 1 1.531 0.03 . 1 . . . . 44 LEU HG . 6563 1 494 . 1 1 44 44 LEU HD11 H 1 0.874 0.03 . 2 . . . . 44 LEU HD1 . 6563 1 495 . 1 1 44 44 LEU HD12 H 1 0.874 0.03 . 2 . . . . 44 LEU HD1 . 6563 1 496 . 1 1 44 44 LEU HD13 H 1 0.874 0.03 . 2 . . . . 44 LEU HD1 . 6563 1 497 . 1 1 44 44 LEU HD21 H 1 0.721 0.03 . 2 . . . . 44 LEU HD2 . 6563 1 498 . 1 1 44 44 LEU HD22 H 1 0.721 0.03 . 2 . . . . 44 LEU HD2 . 6563 1 499 . 1 1 44 44 LEU HD23 H 1 0.721 0.03 . 2 . . . . 44 LEU HD2 . 6563 1 500 . 1 1 44 44 LEU C C 13 177.024 0.30 . 1 . . . . 44 LEU C . 6563 1 501 . 1 1 44 44 LEU CA C 13 56.397 0.30 . 1 . . . . 44 LEU CA . 6563 1 502 . 1 1 44 44 LEU CB C 13 42.385 0.30 . 1 . . . . 44 LEU CB . 6563 1 503 . 1 1 44 44 LEU CG C 13 28.187 0.30 . 1 . . . . 44 LEU CG . 6563 1 504 . 1 1 44 44 LEU CD1 C 13 25.534 0.30 . 2 . . . . 44 LEU CD1 . 6563 1 505 . 1 1 44 44 LEU CD2 C 13 24.411 0.30 . 2 . . . . 44 LEU CD2 . 6563 1 506 . 1 1 44 44 LEU N N 15 122.753 0.20 . 1 . . . . 44 LEU N . 6563 1 507 . 1 1 45 45 ASN H H 1 8.200 0.03 . 1 . . . . 45 ASN H . 6563 1 508 . 1 1 45 45 ASN HA H 1 5.158 0.03 . 1 . . . . 45 ASN HA . 6563 1 509 . 1 1 45 45 ASN HB2 H 1 2.913 0.03 . 1 . . . . 45 ASN HB2 . 6563 1 510 . 1 1 45 45 ASN HB3 H 1 2.913 0.03 . 1 . . . . 45 ASN HB3 . 6563 1 511 . 1 1 45 45 ASN HD21 H 1 8.796 0.03 . 2 . . . . 45 ASN HD21 . 6563 1 512 . 1 1 45 45 ASN HD22 H 1 7.934 0.03 . 2 . . . . 45 ASN HD22 . 6563 1 513 . 1 1 45 45 ASN CA C 13 51.729 0.30 . 1 . . . . 45 ASN CA . 6563 1 514 . 1 1 45 45 ASN CB C 13 41.285 0.30 . 1 . . . . 45 ASN CB . 6563 1 515 . 1 1 45 45 ASN N N 15 126.575 0.20 . 1 . . . . 45 ASN N . 6563 1 516 . 1 1 45 45 ASN ND2 N 15 117.058 0.20 . 1 . . . . 45 ASN ND2 . 6563 1 517 . 1 1 46 46 PRO HA H 1 4.311 0.03 . 1 . . . . 46 PRO HA . 6563 1 518 . 1 1 46 46 PRO HB2 H 1 2.429 0.03 . 2 . . . . 46 PRO HB2 . 6563 1 519 . 1 1 46 46 PRO HB3 H 1 2.028 0.03 . 2 . . . . 46 PRO HB3 . 6563 1 520 . 1 1 46 46 PRO HG2 H 1 2.104 0.03 . 1 . . . . 46 PRO HG2 . 6563 1 521 . 1 1 46 46 PRO HG3 H 1 2.104 0.03 . 1 . . . . 46 PRO HG3 . 6563 1 522 . 1 1 46 46 PRO HD2 H 1 4.136 0.03 . 2 . . . . 46 PRO HD2 . 6563 1 523 . 1 1 46 46 PRO HD3 H 1 3.896 0.03 . 2 . . . . 46 PRO HD3 . 6563 1 524 . 1 1 46 46 PRO C C 13 179.713 0.30 . 1 . . . . 46 PRO C . 6563 1 525 . 1 1 46 46 PRO CA C 13 65.243 0.30 . 1 . . . . 46 PRO CA . 6563 1 526 . 1 1 46 46 PRO CB C 13 32.276 0.30 . 1 . . . . 46 PRO CB . 6563 1 527 . 1 1 46 46 PRO CG C 13 27.501 0.30 . 1 . . . . 46 PRO CG . 6563 1 528 . 1 1 46 46 PRO CD C 13 51.239 0.30 . 1 . . . . 46 PRO CD . 6563 1 529 . 1 1 47 47 ASN H H 1 8.590 0.03 . 1 . . . . 47 ASN H . 6563 1 530 . 1 1 47 47 ASN HA H 1 4.568 0.03 . 1 . . . . 47 ASN HA . 6563 1 531 . 1 1 47 47 ASN HB2 H 1 2.041 0.03 . 2 . . . . 47 ASN HB2 . 6563 1 532 . 1 1 47 47 ASN HB3 H 1 1.275 0.03 . 2 . . . . 47 ASN HB3 . 6563 1 533 . 1 1 47 47 ASN HD21 H 1 7.295 0.03 . 2 . . . . 47 ASN HD21 . 6563 1 534 . 1 1 47 47 ASN HD22 H 1 6.865 0.03 . 2 . . . . 47 ASN HD22 . 6563 1 535 . 1 1 47 47 ASN C C 13 177.773 0.30 . 1 . . . . 47 ASN C . 6563 1 536 . 1 1 47 47 ASN CA C 13 55.639 0.30 . 1 . . . . 47 ASN CA . 6563 1 537 . 1 1 47 47 ASN CB C 13 36.798 0.30 . 1 . . . . 47 ASN CB . 6563 1 538 . 1 1 47 47 ASN N N 15 118.002 0.20 . 1 . . . . 47 ASN N . 6563 1 539 . 1 1 47 47 ASN ND2 N 15 114.044 0.20 . 1 . . . . 47 ASN ND2 . 6563 1 540 . 1 1 48 48 ALA H H 1 7.945 0.03 . 1 . . . . 48 ALA H . 6563 1 541 . 1 1 48 48 ALA HA H 1 4.320 0.03 . 1 . . . . 48 ALA HA . 6563 1 542 . 1 1 48 48 ALA HB1 H 1 1.874 0.03 . 1 . . . . 48 ALA HB . 6563 1 543 . 1 1 48 48 ALA HB2 H 1 1.874 0.03 . 1 . . . . 48 ALA HB . 6563 1 544 . 1 1 48 48 ALA HB3 H 1 1.874 0.03 . 1 . . . . 48 ALA HB . 6563 1 545 . 1 1 48 48 ALA C C 13 179.091 0.30 . 1 . . . . 48 ALA C . 6563 1 546 . 1 1 48 48 ALA CA C 13 55.468 0.30 . 1 . . . . 48 ALA CA . 6563 1 547 . 1 1 48 48 ALA CB C 13 18.712 0.30 . 1 . . . . 48 ALA CB . 6563 1 548 . 1 1 48 48 ALA N N 15 124.574 0.20 . 1 . . . . 48 ALA N . 6563 1 549 . 1 1 49 49 VAL H H 1 7.744 0.03 . 1 . . . . 49 VAL H . 6563 1 550 . 1 1 49 49 VAL HA H 1 3.423 0.03 . 1 . . . . 49 VAL HA . 6563 1 551 . 1 1 49 49 VAL HB H 1 2.264 0.03 . 1 . . . . 49 VAL HB . 6563 1 552 . 1 1 49 49 VAL HG11 H 1 1.020 0.03 . 2 . . . . 49 VAL HG1 . 6563 1 553 . 1 1 49 49 VAL HG12 H 1 1.020 0.03 . 2 . . . . 49 VAL HG1 . 6563 1 554 . 1 1 49 49 VAL HG13 H 1 1.020 0.03 . 2 . . . . 49 VAL HG1 . 6563 1 555 . 1 1 49 49 VAL HG21 H 1 0.985 0.03 . 2 . . . . 49 VAL HG2 . 6563 1 556 . 1 1 49 49 VAL HG22 H 1 0.985 0.03 . 2 . . . . 49 VAL HG2 . 6563 1 557 . 1 1 49 49 VAL HG23 H 1 0.985 0.03 . 2 . . . . 49 VAL HG2 . 6563 1 558 . 1 1 49 49 VAL C C 13 179.823 0.30 . 1 . . . . 49 VAL C . 6563 1 559 . 1 1 49 49 VAL CA C 13 66.543 0.30 . 1 . . . . 49 VAL CA . 6563 1 560 . 1 1 49 49 VAL CB C 13 31.916 0.30 . 1 . . . . 49 VAL CB . 6563 1 561 . 1 1 49 49 VAL CG1 C 13 22.583 0.30 . 2 . . . . 49 VAL CG1 . 6563 1 562 . 1 1 49 49 VAL CG2 C 13 21.320 0.30 . 2 . . . . 49 VAL CG2 . 6563 1 563 . 1 1 49 49 VAL N N 15 118.656 0.20 . 1 . . . . 49 VAL N . 6563 1 564 . 1 1 50 50 LYS H H 1 8.236 0.03 . 1 . . . . 50 LYS H . 6563 1 565 . 1 1 50 50 LYS HA H 1 4.102 0.03 . 1 . . . . 50 LYS HA . 6563 1 566 . 1 1 50 50 LYS HB2 H 1 2.002 0.03 . 1 . . . . 50 LYS HB2 . 6563 1 567 . 1 1 50 50 LYS HB3 H 1 2.002 0.03 . 1 . . . . 50 LYS HB3 . 6563 1 568 . 1 1 50 50 LYS HG2 H 1 1.662 0.03 . 2 . . . . 50 LYS HG2 . 6563 1 569 . 1 1 50 50 LYS HG3 H 1 1.503 0.03 . 2 . . . . 50 LYS HG3 . 6563 1 570 . 1 1 50 50 LYS HD2 H 1 1.049 0.03 . 2 . . . . 50 LYS HD2 . 6563 1 571 . 1 1 50 50 LYS HD3 H 1 0.874 0.03 . 2 . . . . 50 LYS HD3 . 6563 1 572 . 1 1 50 50 LYS HE2 H 1 3.423 0.03 . 1 . . . . 50 LYS HE2 . 6563 1 573 . 1 1 50 50 LYS HE3 H 1 3.423 0.03 . 1 . . . . 50 LYS HE3 . 6563 1 574 . 1 1 50 50 LYS C C 13 179.018 0.30 . 1 . . . . 50 LYS C . 6563 1 575 . 1 1 50 50 LYS CA C 13 60.115 0.30 . 1 . . . . 50 LYS CA . 6563 1 576 . 1 1 50 50 LYS CB C 13 33.495 0.30 . 1 . . . . 50 LYS CB . 6563 1 577 . 1 1 50 50 LYS CG C 13 25.113 0.30 . 1 . . . . 50 LYS CG . 6563 1 578 . 1 1 50 50 LYS CD C 13 29.608 0.30 . 1 . . . . 50 LYS CD . 6563 1 579 . 1 1 50 50 LYS CE C 13 41.688 0.30 . 1 . . . . 50 LYS CE . 6563 1 580 . 1 1 50 50 LYS N N 15 122.531 0.20 . 1 . . . . 50 LYS N . 6563 1 581 . 1 1 51 51 ALA H H 1 8.806 0.03 . 1 . . . . 51 ALA H . 6563 1 582 . 1 1 51 51 ALA HA H 1 4.325 0.03 . 1 . . . . 51 ALA HA . 6563 1 583 . 1 1 51 51 ALA HB1 H 1 1.509 0.03 . 1 . . . . 51 ALA HB . 6563 1 584 . 1 1 51 51 ALA HB2 H 1 1.509 0.03 . 1 . . . . 51 ALA HB . 6563 1 585 . 1 1 51 51 ALA HB3 H 1 1.509 0.03 . 1 . . . . 51 ALA HB . 6563 1 586 . 1 1 51 51 ALA C C 13 180.839 0.30 . 1 . . . . 51 ALA C . 6563 1 587 . 1 1 51 51 ALA CA C 13 55.711 0.30 . 1 . . . . 51 ALA CA . 6563 1 588 . 1 1 51 51 ALA CB C 13 17.102 0.30 . 1 . . . . 51 ALA CB . 6563 1 589 . 1 1 51 51 ALA N N 15 122.220 0.20 . 1 . . . . 51 ALA N . 6563 1 590 . 1 1 52 52 MET H H 1 8.008 0.03 . 1 . . . . 52 MET H . 6563 1 591 . 1 1 52 52 MET HA H 1 4.568 0.03 . 1 . . . . 52 MET HA . 6563 1 592 . 1 1 52 52 MET HB2 H 1 2.130 0.03 . 2 . . . . 52 MET HB2 . 6563 1 593 . 1 1 52 52 MET HB3 H 1 1.913 0.03 . 2 . . . . 52 MET HB3 . 6563 1 594 . 1 1 52 52 MET HG2 H 1 2.827 0.03 . 2 . . . . 52 MET HG2 . 6563 1 595 . 1 1 52 52 MET HG3 H 1 2.342 0.03 . 2 . . . . 52 MET HG3 . 6563 1 596 . 1 1 52 52 MET HE1 H 1 0.916 0.03 . 1 . . . . 52 MET HE . 6563 1 597 . 1 1 52 52 MET HE2 H 1 0.916 0.03 . 1 . . . . 52 MET HE . 6563 1 598 . 1 1 52 52 MET HE3 H 1 0.916 0.03 . 1 . . . . 52 MET HE . 6563 1 599 . 1 1 52 52 MET C C 13 178.596 0.30 . 1 . . . . 52 MET C . 6563 1 600 . 1 1 52 52 MET CA C 13 55.540 0.30 . 1 . . . . 52 MET CA . 6563 1 601 . 1 1 52 52 MET CB C 13 28.942 0.30 . 1 . . . . 52 MET CB . 6563 1 602 . 1 1 52 52 MET CG C 13 33.119 0.30 . 1 . . . . 52 MET CG . 6563 1 603 . 1 1 52 52 MET N N 15 116.607 0.20 . 1 . . . . 52 MET N . 6563 1 604 . 1 1 53 53 LYS H H 1 8.153 0.03 . 1 . . . . 53 LYS H . 6563 1 605 . 1 1 53 53 LYS HA H 1 3.938 0.03 . 1 . . . . 53 LYS HA . 6563 1 606 . 1 1 53 53 LYS HB2 H 1 2.091 0.03 . 2 . . . . 53 LYS HB2 . 6563 1 607 . 1 1 53 53 LYS HB3 H 1 2.027 0.03 . 2 . . . . 53 LYS HB3 . 6563 1 608 . 1 1 53 53 LYS HG2 H 1 1.609 0.03 . 2 . . . . 53 LYS HG2 . 6563 1 609 . 1 1 53 53 LYS HG3 H 1 1.504 0.03 . 2 . . . . 53 LYS HG3 . 6563 1 610 . 1 1 53 53 LYS HD2 H 1 1.693 0.03 . 1 . . . . 53 LYS HD2 . 6563 1 611 . 1 1 53 53 LYS HD3 H 1 1.693 0.03 . 1 . . . . 53 LYS HD3 . 6563 1 612 . 1 1 53 53 LYS HE2 H 1 2.974 0.03 . 1 . . . . 53 LYS HE2 . 6563 1 613 . 1 1 53 53 LYS HE3 H 1 2.974 0.03 . 1 . . . . 53 LYS HE3 . 6563 1 614 . 1 1 53 53 LYS C C 13 180.545 0.30 . 1 . . . . 53 LYS C . 6563 1 615 . 1 1 53 53 LYS CA C 13 59.484 0.30 . 1 . . . . 53 LYS CA . 6563 1 616 . 1 1 53 53 LYS CB C 13 32.251 0.30 . 1 . . . . 53 LYS CB . 6563 1 617 . 1 1 53 53 LYS CG C 13 25.253 0.30 . 1 . . . . 53 LYS CG . 6563 1 618 . 1 1 53 53 LYS CD C 13 29.327 0.30 . 1 . . . . 53 LYS CD . 6563 1 619 . 1 1 53 53 LYS CE C 13 42.250 0.30 . 1 . . . . 53 LYS CE . 6563 1 620 . 1 1 53 53 LYS N N 15 123.643 0.20 . 1 . . . . 53 LYS N . 6563 1 621 . 1 1 54 54 GLU H H 1 7.724 0.03 . 1 . . . . 54 GLU H . 6563 1 622 . 1 1 54 54 GLU HA H 1 4.264 0.03 . 1 . . . . 54 GLU HA . 6563 1 623 . 1 1 54 54 GLU HB2 H 1 2.353 0.03 . 1 . . . . 54 GLU HB2 . 6563 1 624 . 1 1 54 54 GLU HB3 H 1 2.353 0.03 . 1 . . . . 54 GLU HB3 . 6563 1 625 . 1 1 54 54 GLU HG2 H 1 2.515 0.03 . 1 . . . . 54 GLU HG2 . 6563 1 626 . 1 1 54 54 GLU HG3 H 1 2.515 0.03 . 1 . . . . 54 GLU HG3 . 6563 1 627 . 1 1 54 54 GLU C C 13 178.042 0.30 . 1 . . . . 54 GLU C . 6563 1 628 . 1 1 54 54 GLU CA C 13 59.354 0.30 . 1 . . . . 54 GLU CA . 6563 1 629 . 1 1 54 54 GLU CB C 13 30.422 0.30 . 1 . . . . 54 GLU CB . 6563 1 630 . 1 1 54 54 GLU CG C 13 37.614 0.30 . 1 . . . . 54 GLU CG . 6563 1 631 . 1 1 54 54 GLU N N 15 118.943 0.20 . 1 . . . . 54 GLU N . 6563 1 632 . 1 1 55 55 VAL H H 1 7.243 0.03 . 1 . . . . 55 VAL H . 6563 1 633 . 1 1 55 55 VAL HA H 1 4.774 0.03 . 1 . . . . 55 VAL HA . 6563 1 634 . 1 1 55 55 VAL HB H 1 2.718 0.03 . 1 . . . . 55 VAL HB . 6563 1 635 . 1 1 55 55 VAL HG11 H 1 1.091 0.03 . 2 . . . . 55 VAL HG1 . 6563 1 636 . 1 1 55 55 VAL HG12 H 1 1.091 0.03 . 2 . . . . 55 VAL HG1 . 6563 1 637 . 1 1 55 55 VAL HG13 H 1 1.091 0.03 . 2 . . . . 55 VAL HG1 . 6563 1 638 . 1 1 55 55 VAL HG21 H 1 0.749 0.03 . 2 . . . . 55 VAL HG2 . 6563 1 639 . 1 1 55 55 VAL HG22 H 1 0.749 0.03 . 2 . . . . 55 VAL HG2 . 6563 1 640 . 1 1 55 55 VAL HG23 H 1 0.749 0.03 . 2 . . . . 55 VAL HG2 . 6563 1 641 . 1 1 55 55 VAL C C 13 175.634 0.30 . 1 . . . . 55 VAL C . 6563 1 642 . 1 1 55 55 VAL CA C 13 60.128 0.30 . 1 . . . . 55 VAL CA . 6563 1 643 . 1 1 55 55 VAL CB C 13 30.718 0.30 . 1 . . . . 55 VAL CB . 6563 1 644 . 1 1 55 55 VAL CG1 C 13 21.180 0.30 . 2 . . . . 55 VAL CG1 . 6563 1 645 . 1 1 55 55 VAL CG2 C 13 19.916 0.30 . 2 . . . . 55 VAL CG2 . 6563 1 646 . 1 1 55 55 VAL N N 15 108.867 0.20 . 1 . . . . 55 VAL N . 6563 1 647 . 1 1 56 56 GLY H H 1 7.855 0.03 . 1 . . . . 56 GLY H . 6563 1 648 . 1 1 56 56 GLY HA2 H 1 4.169 0.03 . 2 . . . . 56 GLY HA2 . 6563 1 649 . 1 1 56 56 GLY HA3 H 1 3.796 0.03 . 2 . . . . 56 GLY HA3 . 6563 1 650 . 1 1 56 56 GLY C C 13 174.358 0.30 . 1 . . . . 56 GLY C . 6563 1 651 . 1 1 56 56 GLY CA C 13 45.992 0.30 . 1 . . . . 56 GLY CA . 6563 1 652 . 1 1 56 56 GLY N N 15 108.838 0.20 . 1 . . . . 56 GLY N . 6563 1 653 . 1 1 57 57 ILE H H 1 7.818 0.03 . 1 . . . . 57 ILE H . 6563 1 654 . 1 1 57 57 ILE HA H 1 4.074 0.03 . 1 . . . . 57 ILE HA . 6563 1 655 . 1 1 57 57 ILE HB H 1 1.030 0.03 . 1 . . . . 57 ILE HB . 6563 1 656 . 1 1 57 57 ILE HG12 H 1 0.587 0.03 . 1 . . . . 57 ILE HG12 . 6563 1 657 . 1 1 57 57 ILE HG13 H 1 0.587 0.03 . 1 . . . . 57 ILE HG13 . 6563 1 658 . 1 1 57 57 ILE HG21 H 1 0.420 0.03 . 1 . . . . 57 ILE HG2 . 6563 1 659 . 1 1 57 57 ILE HG22 H 1 0.420 0.03 . 1 . . . . 57 ILE HG2 . 6563 1 660 . 1 1 57 57 ILE HG23 H 1 0.420 0.03 . 1 . . . . 57 ILE HG2 . 6563 1 661 . 1 1 57 57 ILE HD11 H 1 -0.006 0.03 . 1 . . . . 57 ILE HD1 . 6563 1 662 . 1 1 57 57 ILE HD12 H 1 -0.006 0.03 . 1 . . . . 57 ILE HD1 . 6563 1 663 . 1 1 57 57 ILE HD13 H 1 -0.006 0.03 . 1 . . . . 57 ILE HD1 . 6563 1 664 . 1 1 57 57 ILE C C 13 173.827 0.30 . 1 . . . . 57 ILE C . 6563 1 665 . 1 1 57 57 ILE CA C 13 60.698 0.30 . 1 . . . . 57 ILE CA . 6563 1 666 . 1 1 57 57 ILE CB C 13 40.093 0.30 . 1 . . . . 57 ILE CB . 6563 1 667 . 1 1 57 57 ILE CG1 C 13 27.360 0.30 . 1 . . . . 57 ILE CG1 . 6563 1 668 . 1 1 57 57 ILE CG2 C 13 17.106 0.30 . 1 . . . . 57 ILE CG2 . 6563 1 669 . 1 1 57 57 ILE CD1 C 13 14.016 0.30 . 1 . . . . 57 ILE CD1 . 6563 1 670 . 1 1 57 57 ILE N N 15 122.184 0.20 . 1 . . . . 57 ILE N . 6563 1 671 . 1 1 58 58 ASP H H 1 8.922 0.03 . 1 . . . . 58 ASP H . 6563 1 672 . 1 1 58 58 ASP HA H 1 4.673 0.03 . 1 . . . . 58 ASP HA . 6563 1 673 . 1 1 58 58 ASP HB2 H 1 2.997 0.03 . 2 . . . . 58 ASP HB2 . 6563 1 674 . 1 1 58 58 ASP HB3 H 1 2.568 0.03 . 2 . . . . 58 ASP HB3 . 6563 1 675 . 1 1 58 58 ASP C C 13 177.179 0.30 . 1 . . . . 58 ASP C . 6563 1 676 . 1 1 58 58 ASP CA C 13 52.355 0.30 . 1 . . . . 58 ASP CA . 6563 1 677 . 1 1 58 58 ASP CB C 13 40.991 0.30 . 1 . . . . 58 ASP CB . 6563 1 678 . 1 1 58 58 ASP N N 15 128.262 0.20 . 1 . . . . 58 ASP N . 6563 1 679 . 1 1 59 59 ILE H H 1 8.519 0.03 . 1 . . . . 59 ILE H . 6563 1 680 . 1 1 59 59 ILE HA H 1 4.573 0.03 . 1 . . . . 59 ILE HA . 6563 1 681 . 1 1 59 59 ILE HB H 1 2.334 0.03 . 1 . . . . 59 ILE HB . 6563 1 682 . 1 1 59 59 ILE HG12 H 1 1.125 0.03 . 1 . . . . 59 ILE HG12 . 6563 1 683 . 1 1 59 59 ILE HG13 H 1 1.125 0.03 . 1 . . . . 59 ILE HG13 . 6563 1 684 . 1 1 59 59 ILE HG21 H 1 0.771 0.03 . 1 . . . . 59 ILE HG2 . 6563 1 685 . 1 1 59 59 ILE HG22 H 1 0.771 0.03 . 1 . . . . 59 ILE HG2 . 6563 1 686 . 1 1 59 59 ILE HG23 H 1 0.771 0.03 . 1 . . . . 59 ILE HG2 . 6563 1 687 . 1 1 59 59 ILE HD11 H 1 0.632 0.03 . 1 . . . . 59 ILE HD1 . 6563 1 688 . 1 1 59 59 ILE HD12 H 1 0.632 0.03 . 1 . . . . 59 ILE HD1 . 6563 1 689 . 1 1 59 59 ILE HD13 H 1 0.632 0.03 . 1 . . . . 59 ILE HD1 . 6563 1 690 . 1 1 59 59 ILE C C 13 176.594 0.30 . 1 . . . . 59 ILE C . 6563 1 691 . 1 1 59 59 ILE CA C 13 61.279 0.30 . 1 . . . . 59 ILE CA . 6563 1 692 . 1 1 59 59 ILE CB C 13 37.898 0.30 . 1 . . . . 59 ILE CB . 6563 1 693 . 1 1 59 59 ILE CG1 C 13 27.922 0.30 . 1 . . . . 59 ILE CG1 . 6563 1 694 . 1 1 59 59 ILE CG2 C 13 18.371 0.30 . 1 . . . . 59 ILE CG2 . 6563 1 695 . 1 1 59 59 ILE CD1 C 13 14.719 0.30 . 1 . . . . 59 ILE CD1 . 6563 1 696 . 1 1 59 59 ILE N N 15 120.031 0.20 . 1 . . . . 59 ILE N . 6563 1 697 . 1 1 60 60 SER H H 1 8.607 0.03 . 1 . . . . 60 SER H . 6563 1 698 . 1 1 60 60 SER HA H 1 3.885 0.03 . 1 . . . . 60 SER HA . 6563 1 699 . 1 1 60 60 SER HB2 H 1 4.008 0.03 . 1 . . . . 60 SER HB2 . 6563 1 700 . 1 1 60 60 SER HB3 H 1 4.008 0.03 . 1 . . . . 60 SER HB3 . 6563 1 701 . 1 1 60 60 SER C C 13 174.242 0.30 . 1 . . . . 60 SER C . 6563 1 702 . 1 1 60 60 SER CA C 13 62.200 0.30 . 1 . . . . 60 SER CA . 6563 1 703 . 1 1 60 60 SER CB C 13 63.374 0.30 . 1 . . . . 60 SER CB . 6563 1 704 . 1 1 60 60 SER N N 15 117.393 0.20 . 1 . . . . 60 SER N . 6563 1 705 . 1 1 61 61 ASN H H 1 8.335 0.03 . 1 . . . . 61 ASN H . 6563 1 706 . 1 1 61 61 ASN HA H 1 4.983 0.03 . 1 . . . . 61 ASN HA . 6563 1 707 . 1 1 61 61 ASN HB2 H 1 2.910 0.03 . 2 . . . . 61 ASN HB2 . 6563 1 708 . 1 1 61 61 ASN HB3 H 1 2.715 0.03 . 2 . . . . 61 ASN HB3 . 6563 1 709 . 1 1 61 61 ASN HD21 H 1 7.526 0.03 . 2 . . . . 61 ASN HD21 . 6563 1 710 . 1 1 61 61 ASN HD22 H 1 6.874 0.03 . 2 . . . . 61 ASN HD22 . 6563 1 711 . 1 1 61 61 ASN C C 13 176.102 0.30 . 1 . . . . 61 ASN C . 6563 1 712 . 1 1 61 61 ASN CA C 13 52.762 0.30 . 1 . . . . 61 ASN CA . 6563 1 713 . 1 1 61 61 ASN CB C 13 39.015 0.30 . 1 . . . . 61 ASN CB . 6563 1 714 . 1 1 61 61 ASN N N 15 118.610 0.20 . 1 . . . . 61 ASN N . 6563 1 715 . 1 1 61 61 ASN ND2 N 15 114.031 0.20 . 1 . . . . 61 ASN ND2 . 6563 1 716 . 1 1 62 62 GLN H H 1 7.673 0.03 . 1 . . . . 62 GLN H . 6563 1 717 . 1 1 62 62 GLN HA H 1 4.364 0.03 . 1 . . . . 62 GLN HA . 6563 1 718 . 1 1 62 62 GLN HB2 H 1 2.448 0.03 . 2 . . . . 62 GLN HB2 . 6563 1 719 . 1 1 62 62 GLN HB3 H 1 2.208 0.03 . 2 . . . . 62 GLN HB3 . 6563 1 720 . 1 1 62 62 GLN HG2 H 1 2.342 0.03 . 1 . . . . 62 GLN HG2 . 6563 1 721 . 1 1 62 62 GLN HG3 H 1 2.342 0.03 . 1 . . . . 62 GLN HG3 . 6563 1 722 . 1 1 62 62 GLN HE21 H 1 8.913 0.03 . 2 . . . . 62 GLN HE21 . 6563 1 723 . 1 1 62 62 GLN HE22 H 1 6.706 0.03 . 2 . . . . 62 GLN HE22 . 6563 1 724 . 1 1 62 62 GLN C C 13 175.037 0.30 . 1 . . . . 62 GLN C . 6563 1 725 . 1 1 62 62 GLN CA C 13 57.124 0.30 . 1 . . . . 62 GLN CA . 6563 1 726 . 1 1 62 62 GLN CB C 13 28.425 0.30 . 1 . . . . 62 GLN CB . 6563 1 727 . 1 1 62 62 GLN CG C 13 37.193 0.30 . 1 . . . . 62 GLN CG . 6563 1 728 . 1 1 62 62 GLN N N 15 122.517 0.20 . 1 . . . . 62 GLN N . 6563 1 729 . 1 1 62 62 GLN NE2 N 15 117.014 0.20 . 1 . . . . 62 GLN NE2 . 6563 1 730 . 1 1 63 63 THR H H 1 8.769 0.03 . 1 . . . . 63 THR H . 6563 1 731 . 1 1 63 63 THR HA H 1 4.414 0.03 . 1 . . . . 63 THR HA . 6563 1 732 . 1 1 63 63 THR HB H 1 4.432 0.03 . 1 . . . . 63 THR HB . 6563 1 733 . 1 1 63 63 THR HG21 H 1 1.281 0.03 . 1 . . . . 63 THR HG2 . 6563 1 734 . 1 1 63 63 THR HG22 H 1 1.281 0.03 . 1 . . . . 63 THR HG2 . 6563 1 735 . 1 1 63 63 THR HG23 H 1 1.281 0.03 . 1 . . . . 63 THR HG2 . 6563 1 736 . 1 1 63 63 THR C C 13 175.076 0.30 . 1 . . . . 63 THR C . 6563 1 737 . 1 1 63 63 THR CA C 13 60.317 0.30 . 1 . . . . 63 THR CA . 6563 1 738 . 1 1 63 63 THR CB C 13 69.476 0.30 . 1 . . . . 63 THR CB . 6563 1 739 . 1 1 63 63 THR N N 15 111.182 0.20 . 1 . . . . 63 THR N . 6563 1 740 . 1 1 64 64 SER H H 1 8.779 0.03 . 1 . . . . 64 SER H . 6563 1 741 . 1 1 64 64 SER HA H 1 4.868 0.03 . 1 . . . . 64 SER HA . 6563 1 742 . 1 1 64 64 SER HB2 H 1 4.033 0.03 . 2 . . . . 64 SER HB2 . 6563 1 743 . 1 1 64 64 SER HB3 H 1 3.442 0.03 . 2 . . . . 64 SER HB3 . 6563 1 744 . 1 1 64 64 SER C C 13 173.613 0.30 . 1 . . . . 64 SER C . 6563 1 745 . 1 1 64 64 SER CA C 13 56.460 0.30 . 1 . . . . 64 SER CA . 6563 1 746 . 1 1 64 64 SER CB C 13 64.904 0.30 . 1 . . . . 64 SER CB . 6563 1 747 . 1 1 64 64 SER N N 15 118.970 0.20 . 1 . . . . 64 SER N . 6563 1 748 . 1 1 65 65 ASP H H 1 10.521 0.03 . 1 . . . . 65 ASP H . 6563 1 749 . 1 1 65 65 ASP HA H 1 5.175 0.03 . 1 . . . . 65 ASP HA . 6563 1 750 . 1 1 65 65 ASP HB2 H 1 2.952 0.03 . 2 . . . . 65 ASP HB2 . 6563 1 751 . 1 1 65 65 ASP HB3 H 1 2.813 0.03 . 2 . . . . 65 ASP HB3 . 6563 1 752 . 1 1 65 65 ASP C C 13 175.199 0.30 . 1 . . . . 65 ASP C . 6563 1 753 . 1 1 65 65 ASP CA C 13 54.484 0.30 . 1 . . . . 65 ASP CA . 6563 1 754 . 1 1 65 65 ASP CB C 13 46.755 0.30 . 1 . . . . 65 ASP CB . 6563 1 755 . 1 1 65 65 ASP N N 15 131.956 0.20 . 1 . . . . 65 ASP N . 6563 1 756 . 1 1 66 66 ILE H H 1 7.960 0.03 . 1 . . . . 66 ILE H . 6563 1 757 . 1 1 66 66 ILE HA H 1 5.130 0.03 . 1 . . . . 66 ILE HA . 6563 1 758 . 1 1 66 66 ILE HB H 1 2.027 0.03 . 1 . . . . 66 ILE HB . 6563 1 759 . 1 1 66 66 ILE HG12 H 1 1.493 0.03 . 2 . . . . 66 ILE HG12 . 6563 1 760 . 1 1 66 66 ILE HG13 H 1 1.247 0.03 . 2 . . . . 66 ILE HG13 . 6563 1 761 . 1 1 66 66 ILE HG21 H 1 1.052 0.03 . 1 . . . . 66 ILE HG2 . 6563 1 762 . 1 1 66 66 ILE HG22 H 1 1.052 0.03 . 1 . . . . 66 ILE HG2 . 6563 1 763 . 1 1 66 66 ILE HG23 H 1 1.052 0.03 . 1 . . . . 66 ILE HG2 . 6563 1 764 . 1 1 66 66 ILE HD11 H 1 0.997 0.03 . 1 . . . . 66 ILE HD1 . 6563 1 765 . 1 1 66 66 ILE HD12 H 1 0.997 0.03 . 1 . . . . 66 ILE HD1 . 6563 1 766 . 1 1 66 66 ILE HD13 H 1 0.997 0.03 . 1 . . . . 66 ILE HD1 . 6563 1 767 . 1 1 66 66 ILE C C 13 177.547 0.30 . 1 . . . . 66 ILE C . 6563 1 768 . 1 1 66 66 ILE CA C 13 59.590 0.30 . 1 . . . . 66 ILE CA . 6563 1 769 . 1 1 66 66 ILE CB C 13 39.454 0.30 . 1 . . . . 66 ILE CB . 6563 1 770 . 1 1 66 66 ILE CG1 C 13 26.925 0.30 . 1 . . . . 66 ILE CG1 . 6563 1 771 . 1 1 66 66 ILE CG2 C 13 18.964 0.30 . 1 . . . . 66 ILE CG2 . 6563 1 772 . 1 1 66 66 ILE CD1 C 13 14.297 0.30 . 1 . . . . 66 ILE CD1 . 6563 1 773 . 1 1 66 66 ILE N N 15 116.556 0.20 . 1 . . . . 66 ILE N . 6563 1 774 . 1 1 67 67 ILE H H 1 7.552 0.03 . 1 . . . . 67 ILE H . 6563 1 775 . 1 1 67 67 ILE HA H 1 3.370 0.03 . 1 . . . . 67 ILE HA . 6563 1 776 . 1 1 67 67 ILE HB H 1 1.621 0.03 . 1 . . . . 67 ILE HB . 6563 1 777 . 1 1 67 67 ILE HG12 H 1 1.493 0.03 . 1 . . . . 67 ILE HG12 . 6563 1 778 . 1 1 67 67 ILE HG13 H 1 1.493 0.03 . 1 . . . . 67 ILE HG13 . 6563 1 779 . 1 1 67 67 ILE HG21 H 1 0.804 0.03 . 1 . . . . 67 ILE HG2 . 6563 1 780 . 1 1 67 67 ILE HG22 H 1 0.804 0.03 . 1 . . . . 67 ILE HG2 . 6563 1 781 . 1 1 67 67 ILE HG23 H 1 0.804 0.03 . 1 . . . . 67 ILE HG2 . 6563 1 782 . 1 1 67 67 ILE HD11 H 1 0.787 0.03 . 1 . . . . 67 ILE HD1 . 6563 1 783 . 1 1 67 67 ILE HD12 H 1 0.787 0.03 . 1 . . . . 67 ILE HD1 . 6563 1 784 . 1 1 67 67 ILE HD13 H 1 0.787 0.03 . 1 . . . . 67 ILE HD1 . 6563 1 785 . 1 1 67 67 ILE C C 13 174.653 0.30 . 1 . . . . 67 ILE C . 6563 1 786 . 1 1 67 67 ILE CA C 13 63.957 0.30 . 1 . . . . 67 ILE CA . 6563 1 787 . 1 1 67 67 ILE CB C 13 38.866 0.30 . 1 . . . . 67 ILE CB . 6563 1 788 . 1 1 67 67 ILE CG1 C 13 29.190 0.30 . 1 . . . . 67 ILE CG1 . 6563 1 789 . 1 1 67 67 ILE CG2 C 13 17.528 0.30 . 1 . . . . 67 ILE CG2 . 6563 1 790 . 1 1 67 67 ILE CD1 C 13 14.839 0.30 . 1 . . . . 67 ILE CD1 . 6563 1 791 . 1 1 67 67 ILE N N 15 123.319 0.20 . 1 . . . . 67 ILE N . 6563 1 792 . 1 1 68 68 ASP H H 1 8.301 0.03 . 1 . . . . 68 ASP H . 6563 1 793 . 1 1 68 68 ASP HA H 1 4.918 0.03 . 1 . . . . 68 ASP HA . 6563 1 794 . 1 1 68 68 ASP HB2 H 1 2.880 0.03 . 2 . . . . 68 ASP HB2 . 6563 1 795 . 1 1 68 68 ASP HB3 H 1 2.635 0.03 . 2 . . . . 68 ASP HB3 . 6563 1 796 . 1 1 68 68 ASP C C 13 176.912 0.30 . 1 . . . . 68 ASP C . 6563 1 797 . 1 1 68 68 ASP CA C 13 52.363 0.30 . 1 . . . . 68 ASP CA . 6563 1 798 . 1 1 68 68 ASP CB C 13 43.484 0.30 . 1 . . . . 68 ASP CB . 6563 1 799 . 1 1 68 68 ASP N N 15 129.631 0.20 . 1 . . . . 68 ASP N . 6563 1 800 . 1 1 69 69 SER H H 1 9.169 0.03 . 1 . . . . 69 SER H . 6563 1 801 . 1 1 69 69 SER HA H 1 4.066 0.03 . 1 . . . . 69 SER HA . 6563 1 802 . 1 1 69 69 SER HB2 H 1 3.966 0.03 . 1 . . . . 69 SER HB2 . 6563 1 803 . 1 1 69 69 SER HB3 H 1 3.966 0.03 . 1 . . . . 69 SER HB3 . 6563 1 804 . 1 1 69 69 SER C C 13 175.710 0.30 . 1 . . . . 69 SER C . 6563 1 805 . 1 1 69 69 SER CA C 13 62.430 0.30 . 1 . . . . 69 SER CA . 6563 1 806 . 1 1 69 69 SER CB C 13 63.253 0.30 . 1 . . . . 69 SER CB . 6563 1 807 . 1 1 69 69 SER N N 15 123.254 0.20 . 1 . . . . 69 SER N . 6563 1 808 . 1 1 70 70 ASP H H 1 8.454 0.03 . 1 . . . . 70 ASP H . 6563 1 809 . 1 1 70 70 ASP HA H 1 4.540 0.03 . 1 . . . . 70 ASP HA . 6563 1 810 . 1 1 70 70 ASP HB2 H 1 2.818 0.03 . 2 . . . . 70 ASP HB2 . 6563 1 811 . 1 1 70 70 ASP HB3 H 1 2.612 0.03 . 2 . . . . 70 ASP HB3 . 6563 1 812 . 1 1 70 70 ASP C C 13 178.619 0.30 . 1 . . . . 70 ASP C . 6563 1 813 . 1 1 70 70 ASP CA C 13 57.696 0.30 . 1 . . . . 70 ASP CA . 6563 1 814 . 1 1 70 70 ASP CB C 13 40.717 0.30 . 1 . . . . 70 ASP CB . 6563 1 815 . 1 1 70 70 ASP N N 15 122.509 0.20 . 1 . . . . 70 ASP N . 6563 1 816 . 1 1 71 71 ILE H H 1 7.526 0.03 . 1 . . . . 71 ILE H . 6563 1 817 . 1 1 71 71 ILE HA H 1 3.442 0.03 . 1 . . . . 71 ILE HA . 6563 1 818 . 1 1 71 71 ILE HB H 1 1.398 0.03 . 1 . . . . 71 ILE HB . 6563 1 819 . 1 1 71 71 ILE HG12 H 1 0.534 0.03 . 2 . . . . 71 ILE HG12 . 6563 1 820 . 1 1 71 71 ILE HG13 H 1 1.197 0.03 . 2 . . . . 71 ILE HG13 . 6563 1 821 . 1 1 71 71 ILE HG21 H 1 -0.379 0.03 . 1 . . . . 71 ILE HG2 . 6563 1 822 . 1 1 71 71 ILE HG22 H 1 -0.379 0.03 . 1 . . . . 71 ILE HG2 . 6563 1 823 . 1 1 71 71 ILE HG23 H 1 -0.379 0.03 . 1 . . . . 71 ILE HG2 . 6563 1 824 . 1 1 71 71 ILE HD11 H 1 0.161 0.03 . 1 . . . . 71 ILE HD1 . 6563 1 825 . 1 1 71 71 ILE HD12 H 1 0.161 0.03 . 1 . . . . 71 ILE HD1 . 6563 1 826 . 1 1 71 71 ILE HD13 H 1 0.161 0.03 . 1 . . . . 71 ILE HD1 . 6563 1 827 . 1 1 71 71 ILE C C 13 178.018 0.30 . 1 . . . . 71 ILE C . 6563 1 828 . 1 1 71 71 ILE CA C 13 64.634 0.30 . 1 . . . . 71 ILE CA . 6563 1 829 . 1 1 71 71 ILE CB C 13 36.984 0.30 . 1 . . . . 71 ILE CB . 6563 1 830 . 1 1 71 71 ILE CG1 C 13 27.720 0.30 . 1 . . . . 71 ILE CG1 . 6563 1 831 . 1 1 71 71 ILE CG2 C 13 16.264 0.30 . 1 . . . . 71 ILE CG2 . 6563 1 832 . 1 1 71 71 ILE CD1 C 13 11.488 0.30 . 1 . . . . 71 ILE CD1 . 6563 1 833 . 1 1 71 71 ILE N N 15 121.467 0.20 . 1 . . . . 71 ILE N . 6563 1 834 . 1 1 72 72 LEU H H 1 8.107 0.03 . 1 . . . . 72 LEU H . 6563 1 835 . 1 1 72 72 LEU HA H 1 3.969 0.03 . 1 . . . . 72 LEU HA . 6563 1 836 . 1 1 72 72 LEU HB2 H 1 1.997 0.03 . 2 . . . . 72 LEU HB2 . 6563 1 837 . 1 1 72 72 LEU HB3 H 1 1.557 0.03 . 2 . . . . 72 LEU HB3 . 6563 1 838 . 1 1 72 72 LEU HG H 1 0.959 0.03 . 1 . . . . 72 LEU HG . 6563 1 839 . 1 1 72 72 LEU HD11 H 1 0.982 0.03 . 1 . . . . 72 LEU HD1 . 6563 1 840 . 1 1 72 72 LEU HD12 H 1 0.982 0.03 . 1 . . . . 72 LEU HD1 . 6563 1 841 . 1 1 72 72 LEU HD13 H 1 0.982 0.03 . 1 . . . . 72 LEU HD1 . 6563 1 842 . 1 1 72 72 LEU HD21 H 1 0.982 0.03 . 1 . . . . 72 LEU HD2 . 6563 1 843 . 1 1 72 72 LEU HD22 H 1 0.982 0.03 . 1 . . . . 72 LEU HD2 . 6563 1 844 . 1 1 72 72 LEU HD23 H 1 0.982 0.03 . 1 . . . . 72 LEU HD2 . 6563 1 845 . 1 1 72 72 LEU C C 13 176.896 0.30 . 1 . . . . 72 LEU C . 6563 1 846 . 1 1 72 72 LEU CA C 13 58.749 0.30 . 1 . . . . 72 LEU CA . 6563 1 847 . 1 1 72 72 LEU CB C 13 43.347 0.30 . 1 . . . . 72 LEU CB . 6563 1 848 . 1 1 72 72 LEU CG C 13 26.518 0.30 . 1 . . . . 72 LEU CG . 6563 1 849 . 1 1 72 72 LEU CD1 C 13 25.113 0.30 . 1 . . . . 72 LEU CD1 . 6563 1 850 . 1 1 72 72 LEU CD2 C 13 25.113 0.30 . 1 . . . . 72 LEU CD2 . 6563 1 851 . 1 1 72 72 LEU N N 15 118.945 0.20 . 1 . . . . 72 LEU N . 6563 1 852 . 1 1 73 73 ASN H H 1 7.861 0.03 . 1 . . . . 73 ASN H . 6563 1 853 . 1 1 73 73 ASN HA H 1 4.501 0.03 . 1 . . . . 73 ASN HA . 6563 1 854 . 1 1 73 73 ASN HB2 H 1 2.924 0.03 . 1 . . . . 73 ASN HB2 . 6563 1 855 . 1 1 73 73 ASN HB3 H 1 2.924 0.03 . 1 . . . . 73 ASN HB3 . 6563 1 856 . 1 1 73 73 ASN HD21 H 1 7.740 0.03 . 2 . . . . 73 ASN HD21 . 6563 1 857 . 1 1 73 73 ASN HD22 H 1 6.951 0.03 . 2 . . . . 73 ASN HD22 . 6563 1 858 . 1 1 73 73 ASN C C 13 176.634 0.30 . 1 . . . . 73 ASN C . 6563 1 859 . 1 1 73 73 ASN CA C 13 55.562 0.30 . 1 . . . . 73 ASN CA . 6563 1 860 . 1 1 73 73 ASN CB C 13 39.533 0.30 . 1 . . . . 73 ASN CB . 6563 1 861 . 1 1 73 73 ASN N N 15 110.700 0.20 . 1 . . . . 73 ASN N . 6563 1 862 . 1 1 73 73 ASN ND2 N 15 113.257 0.20 . 1 . . . . 73 ASN ND2 . 6563 1 863 . 1 1 74 74 ASN H H 1 7.548 0.03 . 1 . . . . 74 ASN H . 6563 1 864 . 1 1 74 74 ASN HA H 1 4.969 0.03 . 1 . . . . 74 ASN HA . 6563 1 865 . 1 1 74 74 ASN HB2 H 1 2.908 0.03 . 2 . . . . 74 ASN HB2 . 6563 1 866 . 1 1 74 74 ASN HB3 H 1 2.579 0.03 . 2 . . . . 74 ASN HB3 . 6563 1 867 . 1 1 74 74 ASN HD21 H 1 7.810 0.03 . 2 . . . . 74 ASN HD21 . 6563 1 868 . 1 1 74 74 ASN HD22 H 1 6.955 0.03 . 2 . . . . 74 ASN HD22 . 6563 1 869 . 1 1 74 74 ASN C C 13 173.870 0.30 . 1 . . . . 74 ASN C . 6563 1 870 . 1 1 74 74 ASN CA C 13 53.120 0.30 . 1 . . . . 74 ASN CA . 6563 1 871 . 1 1 74 74 ASN CB C 13 40.591 0.30 . 1 . . . . 74 ASN CB . 6563 1 872 . 1 1 74 74 ASN N N 15 116.841 0.20 . 1 . . . . 74 ASN N . 6563 1 873 . 1 1 74 74 ASN ND2 N 15 115.431 0.20 . 1 . . . . 74 ASN ND2 . 6563 1 874 . 1 1 75 75 ALA H H 1 7.438 0.03 . 1 . . . . 75 ALA H . 6563 1 875 . 1 1 75 75 ALA HA H 1 4.038 0.03 . 1 . . . . 75 ALA HA . 6563 1 876 . 1 1 75 75 ALA HB1 H 1 1.409 0.03 . 1 . . . . 75 ALA HB . 6563 1 877 . 1 1 75 75 ALA HB2 H 1 1.409 0.03 . 1 . . . . 75 ALA HB . 6563 1 878 . 1 1 75 75 ALA HB3 H 1 1.409 0.03 . 1 . . . . 75 ALA HB . 6563 1 879 . 1 1 75 75 ALA C C 13 176.415 0.30 . 1 . . . . 75 ALA C . 6563 1 880 . 1 1 75 75 ALA CA C 13 53.282 0.30 . 1 . . . . 75 ALA CA . 6563 1 881 . 1 1 75 75 ALA CB C 13 18.692 0.30 . 1 . . . . 75 ALA CB . 6563 1 882 . 1 1 75 75 ALA N N 15 124.278 0.20 . 1 . . . . 75 ALA N . 6563 1 883 . 1 1 76 76 ASP H H 1 8.893 0.03 . 1 . . . . 76 ASP H . 6563 1 884 . 1 1 76 76 ASP HA H 1 4.735 0.03 . 1 . . . . 76 ASP HA . 6563 1 885 . 1 1 76 76 ASP HB2 H 1 2.952 0.03 . 2 . . . . 76 ASP HB2 . 6563 1 886 . 1 1 76 76 ASP HB3 H 1 2.763 0.03 . 2 . . . . 76 ASP HB3 . 6563 1 887 . 1 1 76 76 ASP C C 13 176.894 0.30 . 1 . . . . 76 ASP C . 6563 1 888 . 1 1 76 76 ASP CA C 13 57.264 0.30 . 1 . . . . 76 ASP CA . 6563 1 889 . 1 1 76 76 ASP CB C 13 42.446 0.30 . 1 . . . . 76 ASP CB . 6563 1 890 . 1 1 76 76 ASP N N 15 122.362 0.20 . 1 . . . . 76 ASP N . 6563 1 891 . 1 1 77 77 LEU H H 1 7.996 0.03 . 1 . . . . 77 LEU H . 6563 1 892 . 1 1 77 77 LEU HA H 1 4.729 0.03 . 1 . . . . 77 LEU HA . 6563 1 893 . 1 1 77 77 LEU HB2 H 1 1.632 0.03 . 1 . . . . 77 LEU HB2 . 6563 1 894 . 1 1 77 77 LEU HB3 H 1 1.632 0.03 . 1 . . . . 77 LEU HB3 . 6563 1 895 . 1 1 77 77 LEU HG H 1 1.103 0.03 . 1 . . . . 77 LEU HG . 6563 1 896 . 1 1 77 77 LEU HD11 H 1 0.598 0.03 . 2 . . . . 77 LEU HD1 . 6563 1 897 . 1 1 77 77 LEU HD12 H 1 0.598 0.03 . 2 . . . . 77 LEU HD1 . 6563 1 898 . 1 1 77 77 LEU HD13 H 1 0.598 0.03 . 2 . . . . 77 LEU HD1 . 6563 1 899 . 1 1 77 77 LEU HD21 H 1 0.869 0.03 . 2 . . . . 77 LEU HD2 . 6563 1 900 . 1 1 77 77 LEU HD22 H 1 0.869 0.03 . 2 . . . . 77 LEU HD2 . 6563 1 901 . 1 1 77 77 LEU HD23 H 1 0.869 0.03 . 2 . . . . 77 LEU HD2 . 6563 1 902 . 1 1 77 77 LEU C C 13 175.568 0.30 . 1 . . . . 77 LEU C . 6563 1 903 . 1 1 77 77 LEU CA C 13 55.268 0.30 . 1 . . . . 77 LEU CA . 6563 1 904 . 1 1 77 77 LEU CB C 13 45.853 0.30 . 1 . . . . 77 LEU CB . 6563 1 905 . 1 1 77 77 LEU CG C 13 26.939 0.30 . 1 . . . . 77 LEU CG . 6563 1 906 . 1 1 77 77 LEU CD1 C 13 23.146 0.30 . 9 . . . . 77 LEU CD1 . 6563 1 907 . 1 1 77 77 LEU CD2 C 13 23.146 0.30 . 9 . . . . 77 LEU CD2 . 6563 1 908 . 1 1 77 77 LEU N N 15 120.164 0.20 . 1 . . . . 77 LEU N . 6563 1 909 . 1 1 78 78 VAL H H 1 8.795 0.03 . 1 . . . . 78 VAL H . 6563 1 910 . 1 1 78 78 VAL HA H 1 4.907 0.03 . 1 . . . . 78 VAL HA . 6563 1 911 . 1 1 78 78 VAL HB H 1 1.852 0.03 . 1 . . . . 78 VAL HB . 6563 1 912 . 1 1 78 78 VAL HG11 H 1 1.016 0.03 . 2 . . . . 78 VAL HG1 . 6563 1 913 . 1 1 78 78 VAL HG12 H 1 1.016 0.03 . 2 . . . . 78 VAL HG1 . 6563 1 914 . 1 1 78 78 VAL HG13 H 1 1.016 0.03 . 2 . . . . 78 VAL HG1 . 6563 1 915 . 1 1 78 78 VAL HG21 H 1 0.868 0.03 . 2 . . . . 78 VAL HG2 . 6563 1 916 . 1 1 78 78 VAL HG22 H 1 0.868 0.03 . 2 . . . . 78 VAL HG2 . 6563 1 917 . 1 1 78 78 VAL HG23 H 1 0.868 0.03 . 2 . . . . 78 VAL HG2 . 6563 1 918 . 1 1 78 78 VAL C C 13 173.661 0.30 . 1 . . . . 78 VAL C . 6563 1 919 . 1 1 78 78 VAL CA C 13 59.730 0.30 . 1 . . . . 78 VAL CA . 6563 1 920 . 1 1 78 78 VAL CB C 13 33.751 0.30 . 1 . . . . 78 VAL CB . 6563 1 921 . 1 1 78 78 VAL CG1 C 13 23.146 0.30 . 2 . . . . 78 VAL CG1 . 6563 1 922 . 1 1 78 78 VAL CG2 C 13 21.742 0.30 . 2 . . . . 78 VAL CG2 . 6563 1 923 . 1 1 78 78 VAL N N 15 126.552 0.20 . 1 . . . . 78 VAL N . 6563 1 924 . 1 1 79 79 VAL H H 1 8.332 0.03 . 1 . . . . 79 VAL H . 6563 1 925 . 1 1 79 79 VAL HA H 1 4.824 0.03 . 1 . . . . 79 VAL HA . 6563 1 926 . 1 1 79 79 VAL HB H 1 1.339 0.03 . 1 . . . . 79 VAL HB . 6563 1 927 . 1 1 79 79 VAL HG11 H 1 -0.179 0.03 . 2 . . . . 79 VAL HG1 . 6563 1 928 . 1 1 79 79 VAL HG12 H 1 -0.179 0.03 . 2 . . . . 79 VAL HG1 . 6563 1 929 . 1 1 79 79 VAL HG13 H 1 -0.179 0.03 . 2 . . . . 79 VAL HG1 . 6563 1 930 . 1 1 79 79 VAL HG21 H 1 -0.324 0.03 . 2 . . . . 79 VAL HG2 . 6563 1 931 . 1 1 79 79 VAL HG22 H 1 -0.324 0.03 . 2 . . . . 79 VAL HG2 . 6563 1 932 . 1 1 79 79 VAL HG23 H 1 -0.324 0.03 . 2 . . . . 79 VAL HG2 . 6563 1 933 . 1 1 79 79 VAL C C 13 176.820 0.30 . 1 . . . . 79 VAL C . 6563 1 934 . 1 1 79 79 VAL CA C 13 59.426 0.30 . 1 . . . . 79 VAL CA . 6563 1 935 . 1 1 79 79 VAL CB C 13 33.750 0.30 . 1 . . . . 79 VAL CB . 6563 1 936 . 1 1 79 79 VAL CG1 C 13 19.354 0.30 . 1 . . . . 79 VAL CG1 . 6563 1 937 . 1 1 79 79 VAL CG2 C 13 19.354 0.30 . 1 . . . . 79 VAL CG2 . 6563 1 938 . 1 1 79 79 VAL N N 15 127.338 0.20 . 1 . . . . 79 VAL N . 6563 1 939 . 1 1 80 80 THR H H 1 8.824 0.03 . 1 . . . . 80 THR H . 6563 1 940 . 1 1 80 80 THR HA H 1 5.367 0.03 . 1 . . . . 80 THR HA . 6563 1 941 . 1 1 80 80 THR HB H 1 4.626 0.03 . 1 . . . . 80 THR HB . 6563 1 942 . 1 1 80 80 THR HG21 H 1 1.119 0.03 . 1 . . . . 80 THR HG2 . 6563 1 943 . 1 1 80 80 THR HG22 H 1 1.119 0.03 . 1 . . . . 80 THR HG2 . 6563 1 944 . 1 1 80 80 THR HG23 H 1 1.119 0.03 . 1 . . . . 80 THR HG2 . 6563 1 945 . 1 1 80 80 THR C C 13 176.759 0.30 . 1 . . . . 80 THR C . 6563 1 946 . 1 1 80 80 THR CA C 13 59.825 0.30 . 1 . . . . 80 THR CA . 6563 1 947 . 1 1 80 80 THR CB C 13 69.397 0.30 . 1 . . . . 80 THR CB . 6563 1 948 . 1 1 80 80 THR CG2 C 13 22.585 0.30 . 1 . . . . 80 THR CG2 . 6563 1 949 . 1 1 80 80 THR N N 15 116.640 0.20 . 1 . . . . 80 THR N . 6563 1 950 . 1 1 81 81 LEU H H 1 7.766 0.03 . 1 . . . . 81 LEU H . 6563 1 951 . 1 1 81 81 LEU HA H 1 5.868 0.03 . 1 . . . . 81 LEU HA . 6563 1 952 . 1 1 81 81 LEU HB2 H 1 2.314 0.03 . 2 . . . . 81 LEU HB2 . 6563 1 953 . 1 1 81 81 LEU HB3 H 1 1.918 0.03 . 2 . . . . 81 LEU HB3 . 6563 1 954 . 1 1 81 81 LEU HG H 1 1.445 0.03 . 1 . . . . 81 LEU HG . 6563 1 955 . 1 1 81 81 LEU HD11 H 1 0.855 0.03 . 1 . . . . 81 LEU HD1 . 6563 1 956 . 1 1 81 81 LEU HD12 H 1 0.855 0.03 . 1 . . . . 81 LEU HD1 . 6563 1 957 . 1 1 81 81 LEU HD13 H 1 0.855 0.03 . 1 . . . . 81 LEU HD1 . 6563 1 958 . 1 1 81 81 LEU HD21 H 1 0.855 0.03 . 1 . . . . 81 LEU HD2 . 6563 1 959 . 1 1 81 81 LEU HD22 H 1 0.855 0.03 . 1 . . . . 81 LEU HD2 . 6563 1 960 . 1 1 81 81 LEU HD23 H 1 0.855 0.03 . 1 . . . . 81 LEU HD2 . 6563 1 961 . 1 1 81 81 LEU C C 13 177.898 0.30 . 1 . . . . 81 LEU C . 6563 1 962 . 1 1 81 81 LEU CA C 13 55.128 0.30 . 1 . . . . 81 LEU CA . 6563 1 963 . 1 1 81 81 LEU CB C 13 44.742 0.30 . 1 . . . . 81 LEU CB . 6563 1 964 . 1 1 81 81 LEU CG C 13 24.692 0.30 . 1 . . . . 81 LEU CG . 6563 1 965 . 1 1 81 81 LEU CD1 C 13 28.484 0.30 . 1 . . . . 81 LEU CD1 . 6563 1 966 . 1 1 81 81 LEU CD2 C 13 28.484 0.30 . 1 . . . . 81 LEU CD2 . 6563 1 967 . 1 1 81 81 LEU N N 15 119.386 0.20 . 1 . . . . 81 LEU N . 6563 1 968 . 1 1 82 82 CYS H H 1 7.717 0.03 . 1 . . . . 82 CYS H . 6563 1 969 . 1 1 82 82 CYS HA H 1 4.584 0.03 . 1 . . . . 82 CYS HA . 6563 1 970 . 1 1 82 82 CYS HB2 H 1 4.072 0.03 . 2 . . . . 82 CYS HB2 . 6563 1 971 . 1 1 82 82 CYS HB3 H 1 3.465 0.03 . 2 . . . . 82 CYS HB3 . 6563 1 972 . 1 1 82 82 CYS C C 13 174.447 0.30 . 1 . . . . 82 CYS C . 6563 1 973 . 1 1 82 82 CYS CA C 13 56.428 0.30 . 1 . . . . 82 CYS CA . 6563 1 974 . 1 1 82 82 CYS CB C 13 45.045 0.30 . 1 . . . . 82 CYS CB . 6563 1 975 . 1 1 82 82 CYS N N 15 115.957 0.20 . 1 . . . . 82 CYS N . 6563 1 976 . 1 1 83 83 GLY H H 1 8.036 0.03 . 1 . . . . 83 GLY H . 6563 1 977 . 1 1 83 83 GLY HA2 H 1 4.484 0.03 . 2 . . . . 83 GLY HA2 . 6563 1 978 . 1 1 83 83 GLY HA3 H 1 3.498 0.03 . 2 . . . . 83 GLY HA3 . 6563 1 979 . 1 1 83 83 GLY C C 13 173.471 0.30 . 1 . . . . 83 GLY C . 6563 1 980 . 1 1 83 83 GLY CA C 13 45.590 0.30 . 1 . . . . 83 GLY CA . 6563 1 981 . 1 1 83 83 GLY N N 15 113.806 0.20 . 1 . . . . 83 GLY N . 6563 1 982 . 1 1 84 84 ASP H H 1 8.846 0.03 . 1 . . . . 84 ASP H . 6563 1 983 . 1 1 84 84 ASP HA H 1 4.863 0.03 . 1 . . . . 84 ASP HA . 6563 1 984 . 1 1 84 84 ASP HB2 H 1 2.807 0.03 . 2 . . . . 84 ASP HB2 . 6563 1 985 . 1 1 84 84 ASP HB3 H 1 2.618 0.03 . 2 . . . . 84 ASP HB3 . 6563 1 986 . 1 1 84 84 ASP C C 13 177.445 0.30 . 1 . . . . 84 ASP C . 6563 1 987 . 1 1 84 84 ASP CA C 13 53.722 0.30 . 1 . . . . 84 ASP CA . 6563 1 988 . 1 1 84 84 ASP CB C 13 45.433 0.30 . 1 . . . . 84 ASP CB . 6563 1 989 . 1 1 84 84 ASP N N 15 124.323 0.20 . 1 . . . . 84 ASP N . 6563 1 990 . 1 1 85 85 ALA H H 1 9.037 0.03 . 1 . . . . 85 ALA H . 6563 1 991 . 1 1 85 85 ALA HA H 1 4.217 0.03 . 1 . . . . 85 ALA HA . 6563 1 992 . 1 1 85 85 ALA HB1 H 1 1.504 0.03 . 1 . . . . 85 ALA HB . 6563 1 993 . 1 1 85 85 ALA HB2 H 1 1.504 0.03 . 1 . . . . 85 ALA HB . 6563 1 994 . 1 1 85 85 ALA HB3 H 1 1.504 0.03 . 1 . . . . 85 ALA HB . 6563 1 995 . 1 1 85 85 ALA C C 13 178.443 0.30 . 1 . . . . 85 ALA C . 6563 1 996 . 1 1 85 85 ALA CA C 13 54.803 0.30 . 1 . . . . 85 ALA CA . 6563 1 997 . 1 1 85 85 ALA CB C 13 18.637 0.30 . 1 . . . . 85 ALA CB . 6563 1 998 . 1 1 85 85 ALA N N 15 131.241 0.20 . 1 . . . . 85 ALA N . 6563 1 999 . 1 1 86 86 ALA H H 1 9.270 0.03 . 1 . . . . 86 ALA H . 6563 1 1000 . 1 1 86 86 ALA HA H 1 4.423 0.03 . 1 . . . . 86 ALA HA . 6563 1 1001 . 1 1 86 86 ALA HB1 H 1 1.464 0.03 . 1 . . . . 86 ALA HB . 6563 1 1002 . 1 1 86 86 ALA HB2 H 1 1.464 0.03 . 1 . . . . 86 ALA HB . 6563 1 1003 . 1 1 86 86 ALA HB3 H 1 1.464 0.03 . 1 . . . . 86 ALA HB . 6563 1 1004 . 1 1 86 86 ALA C C 13 178.438 0.30 . 1 . . . . 86 ALA C . 6563 1 1005 . 1 1 86 86 ALA CA C 13 52.413 0.30 . 1 . . . . 86 ALA CA . 6563 1 1006 . 1 1 86 86 ALA CB C 13 18.847 0.30 . 1 . . . . 86 ALA CB . 6563 1 1007 . 1 1 86 86 ALA N N 15 119.920 0.20 . 1 . . . . 86 ALA N . 6563 1 1008 . 1 1 87 87 ASP H H 1 7.802 0.03 . 1 . . . . 87 ASP H . 6563 1 1009 . 1 1 87 87 ASP HA H 1 4.623 0.03 . 1 . . . . 87 ASP HA . 6563 1 1010 . 1 1 87 87 ASP HB2 H 1 3.013 0.03 . 2 . . . . 87 ASP HB2 . 6563 1 1011 . 1 1 87 87 ASP HB3 H 1 2.657 0.03 . 2 . . . . 87 ASP HB3 . 6563 1 1012 . 1 1 87 87 ASP C C 13 176.710 0.30 . 1 . . . . 87 ASP C . 6563 1 1013 . 1 1 87 87 ASP CA C 13 55.480 0.30 . 1 . . . . 87 ASP CA . 6563 1 1014 . 1 1 87 87 ASP CB C 13 42.735 0.30 . 1 . . . . 87 ASP CB . 6563 1 1015 . 1 1 87 87 ASP N N 15 118.252 0.20 . 1 . . . . 87 ASP N . 6563 1 1016 . 1 1 88 88 LYS H H 1 8.169 0.03 . 1 . . . . 88 LYS H . 6563 1 1017 . 1 1 88 88 LYS HA H 1 4.478 0.03 . 1 . . . . 88 LYS HA . 6563 1 1018 . 1 1 88 88 LYS HB2 H 1 1.832 0.03 . 1 . . . . 88 LYS HB2 . 6563 1 1019 . 1 1 88 88 LYS HB3 H 1 1.832 0.03 . 1 . . . . 88 LYS HB3 . 6563 1 1020 . 1 1 88 88 LYS HG2 H 1 1.543 0.03 . 1 . . . . 88 LYS HG2 . 6563 1 1021 . 1 1 88 88 LYS HG3 H 1 1.543 0.03 . 1 . . . . 88 LYS HG3 . 6563 1 1022 . 1 1 88 88 LYS HD2 H 1 1.781 0.03 . 1 . . . . 88 LYS HD2 . 6563 1 1023 . 1 1 88 88 LYS HD3 H 1 1.781 0.03 . 1 . . . . 88 LYS HD3 . 6563 1 1024 . 1 1 88 88 LYS HE2 H 1 3.077 0.03 . 1 . . . . 88 LYS HE2 . 6563 1 1025 . 1 1 88 88 LYS HE3 H 1 3.077 0.03 . 1 . . . . 88 LYS HE3 . 6563 1 1026 . 1 1 88 88 LYS C C 13 174.372 0.30 . 1 . . . . 88 LYS C . 6563 1 1027 . 1 1 88 88 LYS CA C 13 55.737 0.30 . 1 . . . . 88 LYS CA . 6563 1 1028 . 1 1 88 88 LYS CB C 13 32.826 0.30 . 1 . . . . 88 LYS CB . 6563 1 1029 . 1 1 88 88 LYS CG C 13 24.568 0.30 . 1 . . . . 88 LYS CG . 6563 1 1030 . 1 1 88 88 LYS CD C 13 29.327 0.30 . 1 . . . . 88 LYS CD . 6563 1 1031 . 1 1 88 88 LYS CE C 13 42.530 0.30 . 1 . . . . 88 LYS CE . 6563 1 1032 . 1 1 88 88 LYS N N 15 121.548 0.20 . 1 . . . . 88 LYS N . 6563 1 1033 . 1 1 89 89 CYS H H 1 8.682 0.03 . 1 . . . . 89 CYS H . 6563 1 1034 . 1 1 89 89 CYS HA H 1 5.024 0.03 . 1 . . . . 89 CYS HA . 6563 1 1035 . 1 1 89 89 CYS HB2 H 1 3.303 0.03 . 2 . . . . 89 CYS HB2 . 6563 1 1036 . 1 1 89 89 CYS HB3 H 1 3.047 0.03 . 2 . . . . 89 CYS HB3 . 6563 1 1037 . 1 1 89 89 CYS CA C 13 54.674 0.30 . 1 . . . . 89 CYS CA . 6563 1 1038 . 1 1 89 89 CYS CB C 13 40.673 0.30 . 1 . . . . 89 CYS CB . 6563 1 1039 . 1 1 89 89 CYS N N 15 124.420 0.20 . 1 . . . . 89 CYS N . 6563 1 1040 . 1 1 90 90 PRO HA H 1 4.406 0.03 . 1 . . . . 90 PRO HA . 6563 1 1041 . 1 1 90 90 PRO HB2 H 1 2.166 0.03 . 2 . . . . 90 PRO HB2 . 6563 1 1042 . 1 1 90 90 PRO HB3 H 1 1.743 0.03 . 2 . . . . 90 PRO HB3 . 6563 1 1043 . 1 1 90 90 PRO HG2 H 1 1.851 0.03 . 2 . . . . 90 PRO HG2 . 6563 1 1044 . 1 1 90 90 PRO HG3 H 1 1.816 0.03 . 2 . . . . 90 PRO HG3 . 6563 1 1045 . 1 1 90 90 PRO HD2 H 1 3.625 0.03 . 2 . . . . 90 PRO HD2 . 6563 1 1046 . 1 1 90 90 PRO HD3 H 1 3.592 0.03 . 2 . . . . 90 PRO HD3 . 6563 1 1047 . 1 1 90 90 PRO C C 13 175.153 0.30 . 1 . . . . 90 PRO C . 6563 1 1048 . 1 1 90 90 PRO CA C 13 62.808 0.30 . 1 . . . . 90 PRO CA . 6563 1 1049 . 1 1 90 90 PRO CB C 13 32.020 0.30 . 1 . . . . 90 PRO CB . 6563 1 1050 . 1 1 90 90 PRO CG C 13 27.641 0.30 . 1 . . . . 90 PRO CG . 6563 1 1051 . 1 1 90 90 PRO CD C 13 50.537 0.30 . 1 . . . . 90 PRO CD . 6563 1 1052 . 1 1 91 91 MET H H 1 8.261 0.03 . 1 . . . . 91 MET H . 6563 1 1053 . 1 1 91 91 MET HA H 1 4.529 0.03 . 1 . . . . 91 MET HA . 6563 1 1054 . 1 1 91 91 MET HB2 H 1 2.038 0.03 . 1 . . . . 91 MET HB2 . 6563 1 1055 . 1 1 91 91 MET HB3 H 1 2.038 0.03 . 1 . . . . 91 MET HB3 . 6563 1 1056 . 1 1 91 91 MET HG2 H 1 2.685 0.03 . 2 . . . . 91 MET HG2 . 6563 1 1057 . 1 1 91 91 MET HG3 H 1 2.612 0.03 . 2 . . . . 91 MET HG3 . 6563 1 1058 . 1 1 91 91 MET C C 13 176.082 0.30 . 1 . . . . 91 MET C . 6563 1 1059 . 1 1 91 91 MET CA C 13 54.844 0.30 . 1 . . . . 91 MET CA . 6563 1 1060 . 1 1 91 91 MET CB C 13 33.260 0.30 . 1 . . . . 91 MET CB . 6563 1 1061 . 1 1 91 91 MET CG C 13 32.277 0.30 . 1 . . . . 91 MET CG . 6563 1 1062 . 1 1 91 91 MET N N 15 120.611 0.20 . 1 . . . . 91 MET N . 6563 1 1063 . 1 1 92 92 THR H H 1 8.061 0.03 . 1 . . . . 92 THR H . 6563 1 1064 . 1 1 92 92 THR HA H 1 4.735 0.03 . 1 . . . . 92 THR HA . 6563 1 1065 . 1 1 92 92 THR HB H 1 4.072 0.03 . 1 . . . . 92 THR HB . 6563 1 1066 . 1 1 92 92 THR HG21 H 1 0.947 0.03 . 1 . . . . 92 THR HG2 . 6563 1 1067 . 1 1 92 92 THR HG22 H 1 0.947 0.03 . 1 . . . . 92 THR HG2 . 6563 1 1068 . 1 1 92 92 THR HG23 H 1 0.947 0.03 . 1 . . . . 92 THR HG2 . 6563 1 1069 . 1 1 92 92 THR CA C 13 58.715 0.30 . 1 . . . . 92 THR CA . 6563 1 1070 . 1 1 92 92 THR CB C 13 68.190 0.30 . 1 . . . . 92 THR CB . 6563 1 1071 . 1 1 92 92 THR CG2 C 13 22.330 0.30 . 1 . . . . 92 THR CG2 . 6563 1 1072 . 1 1 92 92 THR N N 15 113.122 0.20 . 1 . . . . 92 THR N . 6563 1 1073 . 1 1 93 93 PRO HA H 1 4.865 0.03 . 1 . . . . 93 PRO HA . 6563 1 1074 . 1 1 93 93 PRO HB2 H 1 2.644 0.03 . 1 . . . . 93 PRO HB2 . 6563 1 1075 . 1 1 93 93 PRO HB3 H 1 2.644 0.03 . 1 . . . . 93 PRO HB3 . 6563 1 1076 . 1 1 93 93 PRO HG2 H 1 2.185 0.03 . 2 . . . . 93 PRO HG2 . 6563 1 1077 . 1 1 93 93 PRO HG3 H 1 1.951 0.03 . 2 . . . . 93 PRO HG3 . 6563 1 1078 . 1 1 93 93 PRO HD2 H 1 3.766 0.03 . 2 . . . . 93 PRO HD2 . 6563 1 1079 . 1 1 93 93 PRO HD3 H 1 3.276 0.03 . 2 . . . . 93 PRO HD3 . 6563 1 1080 . 1 1 93 93 PRO CA C 13 63.687 0.30 . 1 . . . . 93 PRO CA . 6563 1 1081 . 1 1 93 93 PRO CB C 13 31.900 0.30 . 1 . . . . 93 PRO CB . 6563 1 1082 . 1 1 94 94 PRO HA H 1 4.424 0.03 . 1 . . . . 94 PRO HA . 6563 1 1083 . 1 1 94 94 PRO HB2 H 1 2.469 0.03 . 2 . . . . 94 PRO HB2 . 6563 1 1084 . 1 1 94 94 PRO HB3 H 1 2.131 0.03 . 2 . . . . 94 PRO HB3 . 6563 1 1085 . 1 1 94 94 PRO HG2 H 1 2.230 0.03 . 1 . . . . 94 PRO HG2 . 6563 1 1086 . 1 1 94 94 PRO HG3 H 1 2.230 0.03 . 1 . . . . 94 PRO HG3 . 6563 1 1087 . 1 1 94 94 PRO HD2 H 1 3.970 0.03 . 1 . . . . 94 PRO HD2 . 6563 1 1088 . 1 1 94 94 PRO HD3 H 1 3.970 0.03 . 1 . . . . 94 PRO HD3 . 6563 1 1089 . 1 1 94 94 PRO C C 13 176.887 0.30 . 1 . . . . 94 PRO C . 6563 1 1090 . 1 1 94 94 PRO CA C 13 65.228 0.30 . 1 . . . . 94 PRO CA . 6563 1 1091 . 1 1 94 94 PRO CB C 13 32.201 0.30 . 1 . . . . 94 PRO CB . 6563 1 1092 . 1 1 94 94 PRO CG C 13 27.370 0.30 . 1 . . . . 94 PRO CG . 6563 1 1093 . 1 1 94 94 PRO CD C 13 51.099 0.30 . 1 . . . . 94 PRO CD . 6563 1 1094 . 1 1 95 95 HIS H H 1 7.793 0.03 . 1 . . . . 95 HIS H . 6563 1 1095 . 1 1 95 95 HIS HA H 1 4.713 0.03 . 1 . . . . 95 HIS HA . 6563 1 1096 . 1 1 95 95 HIS HB2 H 1 3.459 0.03 . 2 . . . . 95 HIS HB2 . 6563 1 1097 . 1 1 95 95 HIS HB3 H 1 2.988 0.03 . 2 . . . . 95 HIS HB3 . 6563 1 1098 . 1 1 95 95 HIS HE1 H 1 6.937 0.03 . 1 . . . . 95 HIS HE . 6563 1 1099 . 1 1 95 95 HIS C C 13 175.003 0.30 . 1 . . . . 95 HIS C . 6563 1 1100 . 1 1 95 95 HIS CA C 13 57.124 0.30 . 1 . . . . 95 HIS CA . 6563 1 1101 . 1 1 95 95 HIS CB C 13 30.446 0.30 . 1 . . . . 95 HIS CB . 6563 1 1102 . 1 1 95 95 HIS N N 15 112.870 0.20 . 1 . . . . 95 HIS N . 6563 1 1103 . 1 1 96 96 VAL H H 1 7.010 0.03 . 1 . . . . 96 VAL H . 6563 1 1104 . 1 1 96 96 VAL HA H 1 4.128 0.03 . 1 . . . . 96 VAL HA . 6563 1 1105 . 1 1 96 96 VAL HB H 1 1.742 0.03 . 1 . . . . 96 VAL HB . 6563 1 1106 . 1 1 96 96 VAL HG11 H 1 0.870 0.03 . 2 . . . . 96 VAL HG1 . 6563 1 1107 . 1 1 96 96 VAL HG12 H 1 0.870 0.03 . 2 . . . . 96 VAL HG1 . 6563 1 1108 . 1 1 96 96 VAL HG13 H 1 0.870 0.03 . 2 . . . . 96 VAL HG1 . 6563 1 1109 . 1 1 96 96 VAL HG21 H 1 0.544 0.03 . 2 . . . . 96 VAL HG2 . 6563 1 1110 . 1 1 96 96 VAL HG22 H 1 0.544 0.03 . 2 . . . . 96 VAL HG2 . 6563 1 1111 . 1 1 96 96 VAL HG23 H 1 0.544 0.03 . 2 . . . . 96 VAL HG2 . 6563 1 1112 . 1 1 96 96 VAL C C 13 175.597 0.30 . 1 . . . . 96 VAL C . 6563 1 1113 . 1 1 96 96 VAL CA C 13 61.291 0.30 . 1 . . . . 96 VAL CA . 6563 1 1114 . 1 1 96 96 VAL CB C 13 33.434 0.30 . 1 . . . . 96 VAL CB . 6563 1 1115 . 1 1 96 96 VAL CG1 C 13 21.194 0.30 . 1 . . . . 96 VAL CG1 . 6563 1 1116 . 1 1 96 96 VAL CG2 C 13 21.194 0.30 . 1 . . . . 96 VAL CG2 . 6563 1 1117 . 1 1 96 96 VAL N N 15 122.817 0.20 . 1 . . . . 96 VAL N . 6563 1 1118 . 1 1 97 97 LYS H H 1 8.800 0.03 . 1 . . . . 97 LYS H . 6563 1 1119 . 1 1 97 97 LYS HA H 1 4.151 0.03 . 1 . . . . 97 LYS HA . 6563 1 1120 . 1 1 97 97 LYS HB2 H 1 2.104 0.03 . 2 . . . . 97 LYS HB2 . 6563 1 1121 . 1 1 97 97 LYS HB3 H 1 2.017 0.03 . 2 . . . . 97 LYS HB3 . 6563 1 1122 . 1 1 97 97 LYS HG2 H 1 1.633 0.03 . 2 . . . . 97 LYS HG2 . 6563 1 1123 . 1 1 97 97 LYS HG3 H 1 1.499 0.03 . 2 . . . . 97 LYS HG3 . 6563 1 1124 . 1 1 97 97 LYS HD2 H 1 1.930 0.03 . 1 . . . . 97 LYS HD2 . 6563 1 1125 . 1 1 97 97 LYS HD3 H 1 1.930 0.03 . 1 . . . . 97 LYS HD3 . 6563 1 1126 . 1 1 97 97 LYS HE2 H 1 3.232 0.03 . 1 . . . . 97 LYS HE2 . 6563 1 1127 . 1 1 97 97 LYS HE3 H 1 3.232 0.03 . 1 . . . . 97 LYS HE3 . 6563 1 1128 . 1 1 97 97 LYS C C 13 174.031 0.30 . 1 . . . . 97 LYS C . 6563 1 1129 . 1 1 97 97 LYS CA C 13 57.836 0.30 . 1 . . . . 97 LYS CA . 6563 1 1130 . 1 1 97 97 LYS CB C 13 32.189 0.30 . 1 . . . . 97 LYS CB . 6563 1 1131 . 1 1 97 97 LYS CG C 13 25.268 0.30 . 1 . . . . 97 LYS CG . 6563 1 1132 . 1 1 97 97 LYS CD C 13 29.467 0.30 . 1 . . . . 97 LYS CD . 6563 1 1133 . 1 1 97 97 LYS CE C 13 42.811 0.30 . 1 . . . . 97 LYS CE . 6563 1 1134 . 1 1 97 97 LYS N N 15 131.533 0.20 . 1 . . . . 97 LYS N . 6563 1 1135 . 1 1 98 98 ARG H H 1 8.300 0.03 . 1 . . . . 98 ARG H . 6563 1 1136 . 1 1 98 98 ARG HA H 1 5.732 0.03 . 1 . . . . 98 ARG HA . 6563 1 1137 . 1 1 98 98 ARG HB2 H 1 1.638 0.03 . 2 . . . . 98 ARG HB2 . 6563 1 1138 . 1 1 98 98 ARG HB3 H 1 1.545 0.03 . 2 . . . . 98 ARG HB3 . 6563 1 1139 . 1 1 98 98 ARG HG2 H 1 1.476 0.03 . 2 . . . . 98 ARG HG2 . 6563 1 1140 . 1 1 98 98 ARG HG3 H 1 1.400 0.03 . 2 . . . . 98 ARG HG3 . 6563 1 1141 . 1 1 98 98 ARG HD2 H 1 3.129 0.03 . 2 . . . . 98 ARG HD2 . 6563 1 1142 . 1 1 98 98 ARG HD3 H 1 3.053 0.03 . 2 . . . . 98 ARG HD3 . 6563 1 1143 . 1 1 98 98 ARG C C 13 176.352 0.30 . 1 . . . . 98 ARG C . 6563 1 1144 . 1 1 98 98 ARG CA C 13 53.522 0.30 . 1 . . . . 98 ARG CA . 6563 1 1145 . 1 1 98 98 ARG CB C 13 33.748 0.30 . 1 . . . . 98 ARG CB . 6563 1 1146 . 1 1 98 98 ARG CG C 13 27.079 0.30 . 1 . . . . 98 ARG CG . 6563 1 1147 . 1 1 98 98 ARG CD C 13 43.654 0.30 . 1 . . . . 98 ARG CD . 6563 1 1148 . 1 1 98 98 ARG N N 15 126.672 0.20 . 1 . . . . 98 ARG N . 6563 1 1149 . 1 1 99 99 GLU H H 1 8.908 0.03 . 1 . . . . 99 GLU H . 6563 1 1150 . 1 1 99 99 GLU HA H 1 4.617 0.03 . 1 . . . . 99 GLU HA . 6563 1 1151 . 1 1 99 99 GLU HB2 H 1 1.882 0.03 . 2 . . . . 99 GLU HB2 . 6563 1 1152 . 1 1 99 99 GLU HB3 H 1 1.213 0.03 . 2 . . . . 99 GLU HB3 . 6563 1 1153 . 1 1 99 99 GLU HG2 H 1 2.254 0.03 . 1 . . . . 99 GLU HG2 . 6563 1 1154 . 1 1 99 99 GLU HG3 H 1 2.254 0.03 . 1 . . . . 99 GLU HG3 . 6563 1 1155 . 1 1 99 99 GLU C C 13 180.679 0.30 . 1 . . . . 99 GLU C . 6563 1 1156 . 1 1 99 99 GLU CA C 13 54.544 0.30 . 1 . . . . 99 GLU CA . 6563 1 1157 . 1 1 99 99 GLU CB C 13 33.617 0.30 . 1 . . . . 99 GLU CB . 6563 1 1158 . 1 1 99 99 GLU CG C 13 36.434 0.30 . 1 . . . . 99 GLU CG . 6563 1 1159 . 1 1 99 99 GLU N N 15 126.282 0.20 . 1 . . . . 99 GLU N . 6563 1 1160 . 1 1 100 100 HIS H H 1 8.910 0.03 . 1 . . . . 100 HIS H . 6563 1 1161 . 1 1 100 100 HIS HA H 1 5.267 0.03 . 1 . . . . 100 HIS HA . 6563 1 1162 . 1 1 100 100 HIS HB2 H 1 3.150 0.03 . 2 . . . . 100 HIS HB2 . 6563 1 1163 . 1 1 100 100 HIS HB3 H 1 2.649 0.03 . 2 . . . . 100 HIS HB3 . 6563 1 1164 . 1 1 100 100 HIS HD2 H 1 7.123 0.03 . 1 . . . . 100 HIS HD2 . 6563 1 1165 . 1 1 100 100 HIS HE1 H 1 6.948 0.03 . 1 . . . . 100 HIS HE1 . 6563 1 1166 . 1 1 100 100 HIS C C 13 174.216 0.30 . 1 . . . . 100 HIS C . 6563 1 1167 . 1 1 100 100 HIS CA C 13 55.553 0.30 . 1 . . . . 100 HIS CA . 6563 1 1168 . 1 1 100 100 HIS CB C 13 33.058 0.30 . 1 . . . . 100 HIS CB . 6563 1 1169 . 1 1 100 100 HIS N N 15 122.105 0.20 . 1 . . . . 100 HIS N . 6563 1 1170 . 1 1 101 101 TRP H H 1 8.363 0.03 . 1 . . . . 101 TRP H . 6563 1 1171 . 1 1 101 101 TRP HA H 1 4.918 0.03 . 1 . . . . 101 TRP HA . 6563 1 1172 . 1 1 101 101 TRP HB2 H 1 3.457 0.03 . 2 . . . . 101 TRP HB2 . 6563 1 1173 . 1 1 101 101 TRP HB3 H 1 2.869 0.03 . 2 . . . . 101 TRP HB3 . 6563 1 1174 . 1 1 101 101 TRP HD1 H 1 7.124 0.03 . 1 . . . . 101 TRP HD1 . 6563 1 1175 . 1 1 101 101 TRP HE1 H 1 10.341 0.03 . 1 . . . . 101 TRP HE1 . 6563 1 1176 . 1 1 101 101 TRP HZ2 H 1 7.024 0.03 . 1 . . . . 101 TRP HZ2 . 6563 1 1177 . 1 1 101 101 TRP HZ3 H 1 6.888 0.03 . 1 . . . . 101 TRP HZ3 . 6563 1 1178 . 1 1 101 101 TRP HH2 H 1 7.233 0.03 . 1 . . . . 101 TRP HH2 . 6563 1 1179 . 1 1 101 101 TRP C C 13 172.240 0.30 . 1 . . . . 101 TRP C . 6563 1 1180 . 1 1 101 101 TRP CA C 13 51.598 0.30 . 1 . . . . 101 TRP CA . 6563 1 1181 . 1 1 101 101 TRP CB C 13 30.161 0.30 . 1 . . . . 101 TRP CB . 6563 1 1182 . 1 1 101 101 TRP N N 15 132.158 0.20 . 1 . . . . 101 TRP N . 6563 1 1183 . 1 1 101 101 TRP NE1 N 15 129.717 0.20 . 1 . . . . 101 TRP NE1 . 6563 1 1184 . 1 1 102 102 GLY H H 1 7.672 0.03 . 1 . . . . 102 GLY H . 6563 1 1185 . 1 1 102 102 GLY HA2 H 1 3.248 0.03 . 1 . . . . 102 GLY HA2 . 6563 1 1186 . 1 1 102 102 GLY HA3 H 1 3.248 0.03 . 1 . . . . 102 GLY HA3 . 6563 1 1187 . 1 1 102 102 GLY C C 13 173.633 0.30 . 1 . . . . 102 GLY C . 6563 1 1188 . 1 1 102 102 GLY CA C 13 46.636 0.30 . 1 . . . . 102 GLY CA . 6563 1 1189 . 1 1 102 102 GLY N N 15 105.185 0.20 . 1 . . . . 102 GLY N . 6563 1 1190 . 1 1 103 103 PHE H H 1 7.629 0.03 . 1 . . . . 103 PHE H . 6563 1 1191 . 1 1 103 103 PHE HA H 1 4.959 0.03 . 1 . . . . 103 PHE HA . 6563 1 1192 . 1 1 103 103 PHE HB2 H 1 3.382 0.03 . 2 . . . . 103 PHE HB2 . 6563 1 1193 . 1 1 103 103 PHE HB3 H 1 2.561 0.03 . 2 . . . . 103 PHE HB3 . 6563 1 1194 . 1 1 103 103 PHE C C 13 175.386 0.30 . 1 . . . . 103 PHE C . 6563 1 1195 . 1 1 103 103 PHE CA C 13 57.820 0.30 . 1 . . . . 103 PHE CA . 6563 1 1196 . 1 1 103 103 PHE CB C 13 43.904 0.30 . 1 . . . . 103 PHE CB . 6563 1 1197 . 1 1 103 103 PHE N N 15 120.520 0.20 . 1 . . . . 103 PHE N . 6563 1 1198 . 1 1 104 104 ASP H H 1 9.238 0.03 . 1 . . . . 104 ASP H . 6563 1 1199 . 1 1 104 104 ASP HA H 1 4.487 0.03 . 1 . . . . 104 ASP HA . 6563 1 1200 . 1 1 104 104 ASP HB2 H 1 2.910 0.03 . 2 . . . . 104 ASP HB2 . 6563 1 1201 . 1 1 104 104 ASP HB3 H 1 2.567 0.03 . 2 . . . . 104 ASP HB3 . 6563 1 1202 . 1 1 104 104 ASP C C 13 174.646 0.30 . 1 . . . . 104 ASP C . 6563 1 1203 . 1 1 104 104 ASP CA C 13 54.885 0.30 . 1 . . . . 104 ASP CA . 6563 1 1204 . 1 1 104 104 ASP CB C 13 42.527 0.30 . 1 . . . . 104 ASP CB . 6563 1 1205 . 1 1 104 104 ASP N N 15 124.910 0.20 . 1 . . . . 104 ASP N . 6563 1 1206 . 1 1 105 105 ASP H H 1 9.086 0.03 . 1 . . . . 105 ASP H . 6563 1 1207 . 1 1 105 105 ASP HA H 1 4.645 0.03 . 1 . . . . 105 ASP HA . 6563 1 1208 . 1 1 105 105 ASP HB2 H 1 2.974 0.03 . 2 . . . . 105 ASP HB2 . 6563 1 1209 . 1 1 105 105 ASP HB3 H 1 2.701 0.03 . 2 . . . . 105 ASP HB3 . 6563 1 1210 . 1 1 105 105 ASP CA C 13 51.409 0.30 . 1 . . . . 105 ASP CA . 6563 1 1211 . 1 1 105 105 ASP CB C 13 42.414 0.30 . 1 . . . . 105 ASP CB . 6563 1 1212 . 1 1 105 105 ASP N N 15 117.881 0.20 . 1 . . . . 105 ASP N . 6563 1 1213 . 1 1 106 106 PRO HA H 1 3.901 0.03 . 1 . . . . 106 PRO HA . 6563 1 1214 . 1 1 106 106 PRO HB2 H 1 1.218 0.03 . 2 . . . . 106 PRO HB2 . 6563 1 1215 . 1 1 106 106 PRO HB3 H 1 0.376 0.03 . 2 . . . . 106 PRO HB3 . 6563 1 1216 . 1 1 106 106 PRO HG2 H 1 1.604 0.03 . 2 . . . . 106 PRO HG2 . 6563 1 1217 . 1 1 106 106 PRO HG3 H 1 1.424 0.03 . 2 . . . . 106 PRO HG3 . 6563 1 1218 . 1 1 106 106 PRO HD2 H 1 3.976 0.03 . 1 . . . . 106 PRO HD2 . 6563 1 1219 . 1 1 106 106 PRO HD3 H 1 3.976 0.03 . 1 . . . . 106 PRO HD3 . 6563 1 1220 . 1 1 106 106 PRO C C 13 176.791 0.30 . 1 . . . . 106 PRO C . 6563 1 1221 . 1 1 106 106 PRO CA C 13 63.743 0.30 . 1 . . . . 106 PRO CA . 6563 1 1222 . 1 1 106 106 PRO CB C 13 30.343 0.30 . 1 . . . . 106 PRO CB . 6563 1 1223 . 1 1 106 106 PRO CG C 13 27.501 0.30 . 1 . . . . 106 PRO CG . 6563 1 1224 . 1 1 106 106 PRO CD C 13 49.975 0.30 . 1 . . . . 106 PRO CD . 6563 1 1225 . 1 1 107 107 ALA H H 1 8.184 0.03 . 1 . . . . 107 ALA H . 6563 1 1226 . 1 1 107 107 ALA HA H 1 4.342 0.03 . 1 . . . . 107 ALA HA . 6563 1 1227 . 1 1 107 107 ALA HB1 H 1 1.655 0.03 . 1 . . . . 107 ALA HB . 6563 1 1228 . 1 1 107 107 ALA HB2 H 1 1.655 0.03 . 1 . . . . 107 ALA HB . 6563 1 1229 . 1 1 107 107 ALA HB3 H 1 1.655 0.03 . 1 . . . . 107 ALA HB . 6563 1 1230 . 1 1 107 107 ALA C C 13 178.634 0.30 . 1 . . . . 107 ALA C . 6563 1 1231 . 1 1 107 107 ALA CA C 13 54.037 0.30 . 1 . . . . 107 ALA CA . 6563 1 1232 . 1 1 107 107 ALA CB C 13 18.593 0.30 . 1 . . . . 107 ALA CB . 6563 1 1233 . 1 1 107 107 ALA N N 15 120.422 0.20 . 1 . . . . 107 ALA N . 6563 1 1234 . 1 1 108 108 ARG H H 1 7.127 0.03 . 1 . . . . 108 ARG H . 6563 1 1235 . 1 1 108 108 ARG HA H 1 4.413 0.03 . 1 . . . . 108 ARG HA . 6563 1 1236 . 1 1 108 108 ARG HB2 H 1 2.143 0.03 . 2 . . . . 108 ARG HB2 . 6563 1 1237 . 1 1 108 108 ARG HB3 H 1 1.719 0.03 . 2 . . . . 108 ARG HB3 . 6563 1 1238 . 1 1 108 108 ARG HG2 H 1 1.608 0.03 . 1 . . . . 108 ARG HG2 . 6563 1 1239 . 1 1 108 108 ARG HG3 H 1 1.608 0.03 . 1 . . . . 108 ARG HG3 . 6563 1 1240 . 1 1 108 108 ARG HD2 H 1 3.261 0.03 . 1 . . . . 108 ARG HD2 . 6563 1 1241 . 1 1 108 108 ARG HD3 H 1 3.261 0.03 . 1 . . . . 108 ARG HD3 . 6563 1 1242 . 1 1 108 108 ARG HE H 1 7.521 0.03 . 1 . . . . 108 ARG HE . 6563 1 1243 . 1 1 108 108 ARG C C 13 175.970 0.30 . 1 . . . . 108 ARG C . 6563 1 1244 . 1 1 108 108 ARG CA C 13 55.230 0.30 . 1 . . . . 108 ARG CA . 6563 1 1245 . 1 1 108 108 ARG CB C 13 30.902 0.30 . 1 . . . . 108 ARG CB . 6563 1 1246 . 1 1 108 108 ARG CG C 13 27.922 0.30 . 1 . . . . 108 ARG CG . 6563 1 1247 . 1 1 108 108 ARG CD C 13 43.795 0.30 . 1 . . . . 108 ARG CD . 6563 1 1248 . 1 1 108 108 ARG N N 15 116.001 0.20 . 1 . . . . 108 ARG N . 6563 1 1249 . 1 1 109 109 ALA H H 1 6.785 0.03 . 1 . . . . 109 ALA H . 6563 1 1250 . 1 1 109 109 ALA HA H 1 3.774 0.03 . 1 . . . . 109 ALA HA . 6563 1 1251 . 1 1 109 109 ALA HB1 H 1 0.859 0.03 . 1 . . . . 109 ALA HB . 6563 1 1252 . 1 1 109 109 ALA HB2 H 1 0.859 0.03 . 1 . . . . 109 ALA HB . 6563 1 1253 . 1 1 109 109 ALA HB3 H 1 0.859 0.03 . 1 . . . . 109 ALA HB . 6563 1 1254 . 1 1 109 109 ALA C C 13 176.910 0.30 . 1 . . . . 109 ALA C . 6563 1 1255 . 1 1 109 109 ALA CA C 13 53.169 0.30 . 1 . . . . 109 ALA CA . 6563 1 1256 . 1 1 109 109 ALA CB C 13 18.868 0.30 . 1 . . . . 109 ALA CB . 6563 1 1257 . 1 1 109 109 ALA N N 15 123.575 0.20 . 1 . . . . 109 ALA N . 6563 1 1258 . 1 1 110 110 GLN H H 1 8.474 0.03 . 1 . . . . 110 GLN H . 6563 1 1259 . 1 1 110 110 GLN HA H 1 4.634 0.03 . 1 . . . . 110 GLN HA . 6563 1 1260 . 1 1 110 110 GLN HB2 H 1 2.242 0.03 . 2 . . . . 110 GLN HB2 . 6563 1 1261 . 1 1 110 110 GLN HB3 H 1 1.957 0.03 . 2 . . . . 110 GLN HB3 . 6563 1 1262 . 1 1 110 110 GLN HG2 H 1 2.444 0.03 . 2 . . . . 110 GLN HG2 . 6563 1 1263 . 1 1 110 110 GLN HG3 H 1 2.488 0.03 . 2 . . . . 110 GLN HG3 . 6563 1 1264 . 1 1 110 110 GLN HE21 H 1 7.487 0.03 . 2 . . . . 110 GLN HE21 . 6563 1 1265 . 1 1 110 110 GLN HE22 H 1 6.930 0.03 . 2 . . . . 110 GLN HE22 . 6563 1 1266 . 1 1 110 110 GLN C C 13 174.912 0.30 . 1 . . . . 110 GLN C . 6563 1 1267 . 1 1 110 110 GLN CA C 13 54.139 0.30 . 1 . . . . 110 GLN CA . 6563 1 1268 . 1 1 110 110 GLN CB C 13 31.630 0.30 . 1 . . . . 110 GLN CB . 6563 1 1269 . 1 1 110 110 GLN CG C 13 34.103 0.30 . 1 . . . . 110 GLN CG . 6563 1 1270 . 1 1 110 110 GLN N N 15 121.016 0.20 . 1 . . . . 110 GLN N . 6563 1 1271 . 1 1 110 110 GLN NE2 N 15 113.943 0.20 . 1 . . . . 110 GLN NE2 . 6563 1 1272 . 1 1 111 111 GLY H H 1 8.329 0.03 . 1 . . . . 111 GLY H . 6563 1 1273 . 1 1 111 111 GLY HA2 H 1 4.860 0.03 . 2 . . . . 111 GLY HA2 . 6563 1 1274 . 1 1 111 111 GLY HA3 H 1 3.905 0.03 . 2 . . . . 111 GLY HA3 . 6563 1 1275 . 1 1 111 111 GLY C C 13 174.632 0.30 . 1 . . . . 111 GLY C . 6563 1 1276 . 1 1 111 111 GLY CA C 13 44.323 0.30 . 1 . . . . 111 GLY CA . 6563 1 1277 . 1 1 111 111 GLY N N 15 108.308 0.20 . 1 . . . . 111 GLY N . 6563 1 1278 . 1 1 112 112 THR H H 1 8.976 0.03 . 1 . . . . 112 THR H . 6563 1 1279 . 1 1 112 112 THR HA H 1 4.511 0.03 . 1 . . . . 112 THR HA . 6563 1 1280 . 1 1 112 112 THR HB H 1 4.959 0.03 . 1 . . . . 112 THR HB . 6563 1 1281 . 1 1 112 112 THR HG21 H 1 1.474 0.03 . 1 . . . . 112 THR HG2 . 6563 1 1282 . 1 1 112 112 THR HG22 H 1 1.474 0.03 . 1 . . . . 112 THR HG2 . 6563 1 1283 . 1 1 112 112 THR HG23 H 1 1.474 0.03 . 1 . . . . 112 THR HG2 . 6563 1 1284 . 1 1 112 112 THR C C 13 175.660 0.30 . 1 . . . . 112 THR C . 6563 1 1285 . 1 1 112 112 THR CA C 13 61.478 0.30 . 1 . . . . 112 THR CA . 6563 1 1286 . 1 1 112 112 THR CB C 13 71.338 0.30 . 1 . . . . 112 THR CB . 6563 1 1287 . 1 1 112 112 THR CG2 C 13 22.163 0.30 . 1 . . . . 112 THR CG2 . 6563 1 1288 . 1 1 112 112 THR N N 15 112.313 0.20 . 1 . . . . 112 THR N . 6563 1 1289 . 1 1 113 113 GLU H H 1 9.201 0.03 . 1 . . . . 113 GLU H . 6563 1 1290 . 1 1 113 113 GLU HA H 1 4.074 0.03 . 1 . . . . 113 GLU HA . 6563 1 1291 . 1 1 113 113 GLU HB2 H 1 2.154 0.03 . 1 . . . . 113 GLU HB2 . 6563 1 1292 . 1 1 113 113 GLU HB3 H 1 2.154 0.03 . 1 . . . . 113 GLU HB3 . 6563 1 1293 . 1 1 113 113 GLU HG2 H 1 2.486 0.03 . 1 . . . . 113 GLU HG2 . 6563 1 1294 . 1 1 113 113 GLU HG3 H 1 2.486 0.03 . 1 . . . . 113 GLU HG3 . 6563 1 1295 . 1 1 113 113 GLU C C 13 179.865 0.30 . 1 . . . . 113 GLU C . 6563 1 1296 . 1 1 113 113 GLU CA C 13 60.354 0.30 . 1 . . . . 113 GLU CA . 6563 1 1297 . 1 1 113 113 GLU CB C 13 29.063 0.30 . 1 . . . . 113 GLU CB . 6563 1 1298 . 1 1 113 113 GLU CG C 13 36.771 0.30 . 1 . . . . 113 GLU CG . 6563 1 1299 . 1 1 113 113 GLU N N 15 120.846 0.20 . 1 . . . . 113 GLU N . 6563 1 1300 . 1 1 114 114 GLU H H 1 8.964 0.03 . 1 . . . . 114 GLU H . 6563 1 1301 . 1 1 114 114 GLU HA H 1 4.326 0.03 . 1 . . . . 114 GLU HA . 6563 1 1302 . 1 1 114 114 GLU HB2 H 1 2.230 0.03 . 2 . . . . 114 GLU HB2 . 6563 1 1303 . 1 1 114 114 GLU HB3 H 1 2.137 0.03 . 2 . . . . 114 GLU HB3 . 6563 1 1304 . 1 1 114 114 GLU HG2 H 1 2.486 0.03 . 1 . . . . 114 GLU HG2 . 6563 1 1305 . 1 1 114 114 GLU HG3 H 1 2.486 0.03 . 1 . . . . 114 GLU HG3 . 6563 1 1306 . 1 1 114 114 GLU C C 13 180.007 0.30 . 1 . . . . 114 GLU C . 6563 1 1307 . 1 1 114 114 GLU CA C 13 60.555 0.30 . 1 . . . . 114 GLU CA . 6563 1 1308 . 1 1 114 114 GLU CB C 13 29.288 0.30 . 1 . . . . 114 GLU CB . 6563 1 1309 . 1 1 114 114 GLU CG C 13 37.474 0.30 . 1 . . . . 114 GLU CG . 6563 1 1310 . 1 1 114 114 GLU N N 15 119.637 0.20 . 1 . . . . 114 GLU N . 6563 1 1311 . 1 1 115 115 GLU H H 1 7.978 0.03 . 1 . . . . 115 GLU H . 6563 1 1312 . 1 1 115 115 GLU HA H 1 4.209 0.03 . 1 . . . . 115 GLU HA . 6563 1 1313 . 1 1 115 115 GLU HB2 H 1 2.539 0.03 . 2 . . . . 115 GLU HB2 . 6563 1 1314 . 1 1 115 115 GLU HB3 H 1 2.197 0.03 . 2 . . . . 115 GLU HB3 . 6563 1 1315 . 1 1 115 115 GLU HG2 H 1 2.445 0.03 . 1 . . . . 115 GLU HG2 . 6563 1 1316 . 1 1 115 115 GLU HG3 H 1 2.445 0.03 . 1 . . . . 115 GLU HG3 . 6563 1 1317 . 1 1 115 115 GLU C C 13 173.871 0.30 . 1 . . . . 115 GLU C . 6563 1 1318 . 1 1 115 115 GLU CA C 13 59.498 0.30 . 1 . . . . 115 GLU CA . 6563 1 1319 . 1 1 115 115 GLU CB C 13 29.895 0.30 . 1 . . . . 115 GLU CB . 6563 1 1320 . 1 1 115 115 GLU CG C 13 37.755 0.30 . 1 . . . . 115 GLU CG . 6563 1 1321 . 1 1 115 115 GLU N N 15 123.422 0.20 . 1 . . . . 115 GLU N . 6563 1 1322 . 1 1 116 116 LYS H H 1 8.863 0.03 . 1 . . . . 116 LYS H . 6563 1 1323 . 1 1 116 116 LYS HA H 1 4.000 0.03 . 1 . . . . 116 LYS HA . 6563 1 1324 . 1 1 116 116 LYS HB2 H 1 2.067 0.03 . 2 . . . . 116 LYS HB2 . 6563 1 1325 . 1 1 116 116 LYS HB3 H 1 1.992 0.03 . 2 . . . . 116 LYS HB3 . 6563 1 1326 . 1 1 116 116 LYS HG2 H 1 1.632 0.03 . 2 . . . . 116 LYS HG2 . 6563 1 1327 . 1 1 116 116 LYS HG3 H 1 1.486 0.03 . 2 . . . . 116 LYS HG3 . 6563 1 1328 . 1 1 116 116 LYS HD2 H 1 1.727 0.03 . 2 . . . . 116 LYS HD2 . 6563 1 1329 . 1 1 116 116 LYS HD3 H 1 1.643 0.03 . 2 . . . . 116 LYS HD3 . 6563 1 1330 . 1 1 116 116 LYS HE2 H 1 3.110 0.03 . 2 . . . . 116 LYS HE2 . 6563 1 1331 . 1 1 116 116 LYS HE3 H 1 2.999 0.03 . 2 . . . . 116 LYS HE3 . 6563 1 1332 . 1 1 116 116 LYS C C 13 179.119 0.30 . 1 . . . . 116 LYS C . 6563 1 1333 . 1 1 116 116 LYS CA C 13 60.617 0.30 . 1 . . . . 116 LYS CA . 6563 1 1334 . 1 1 116 116 LYS CB C 13 32.668 0.30 . 1 . . . . 116 LYS CB . 6563 1 1335 . 1 1 116 116 LYS CG C 13 25.815 0.30 . 1 . . . . 116 LYS CG . 6563 1 1336 . 1 1 116 116 LYS CD C 13 30.310 0.30 . 1 . . . . 116 LYS CD . 6563 1 1337 . 1 1 116 116 LYS CE C 13 41.969 0.30 . 1 . . . . 116 LYS CE . 6563 1 1338 . 1 1 116 116 LYS N N 15 122.106 0.20 . 1 . . . . 116 LYS N . 6563 1 1339 . 1 1 117 117 TRP H H 1 8.414 0.03 . 1 . . . . 117 TRP H . 6563 1 1340 . 1 1 117 117 TRP HA H 1 5.046 0.03 . 1 . . . . 117 TRP HA . 6563 1 1341 . 1 1 117 117 TRP HB2 H 1 3.585 0.03 . 2 . . . . 117 TRP HB2 . 6563 1 1342 . 1 1 117 117 TRP HB3 H 1 3.422 0.03 . 2 . . . . 117 TRP HB3 . 6563 1 1343 . 1 1 117 117 TRP HD1 H 1 7.320 0.03 . 1 . . . . 117 TRP HD1 . 6563 1 1344 . 1 1 117 117 TRP HE1 H 1 10.212 0.03 . 1 . . . . 117 TRP HE1 . 6563 1 1345 . 1 1 117 117 TRP HE3 H 1 7.544 0.03 . 1 . . . . 117 TRP HE3 . 6563 1 1346 . 1 1 117 117 TRP HZ2 H 1 7.557 0.03 . 1 . . . . 117 TRP HZ2 . 6563 1 1347 . 1 1 117 117 TRP HZ3 H 1 6.712 0.03 . 1 . . . . 117 TRP HZ3 . 6563 1 1348 . 1 1 117 117 TRP HH2 H 1 6.966 0.03 . 1 . . . . 117 TRP HH2 . 6563 1 1349 . 1 1 117 117 TRP C C 13 177.650 0.30 . 1 . . . . 117 TRP C . 6563 1 1350 . 1 1 117 117 TRP CA C 13 59.322 0.30 . 1 . . . . 117 TRP CA . 6563 1 1351 . 1 1 117 117 TRP CB C 13 30.162 0.30 . 1 . . . . 117 TRP CB . 6563 1 1352 . 1 1 117 117 TRP N N 15 121.416 0.20 . 1 . . . . 117 TRP N . 6563 1 1353 . 1 1 117 117 TRP NE1 N 15 130.366 0.20 . 1 . . . . 117 TRP NE1 . 6563 1 1354 . 1 1 118 118 ALA H H 1 8.060 0.03 . 1 . . . . 118 ALA H . 6563 1 1355 . 1 1 118 118 ALA HA H 1 4.423 0.03 . 1 . . . . 118 ALA HA . 6563 1 1356 . 1 1 118 118 ALA HB1 H 1 1.626 0.03 . 1 . . . . 118 ALA HB . 6563 1 1357 . 1 1 118 118 ALA HB2 H 1 1.626 0.03 . 1 . . . . 118 ALA HB . 6563 1 1358 . 1 1 118 118 ALA HB3 H 1 1.626 0.03 . 1 . . . . 118 ALA HB . 6563 1 1359 . 1 1 118 118 ALA C C 13 180.505 0.30 . 1 . . . . 118 ALA C . 6563 1 1360 . 1 1 118 118 ALA CA C 13 54.482 0.30 . 1 . . . . 118 ALA CA . 6563 1 1361 . 1 1 118 118 ALA CB C 13 17.744 0.30 . 1 . . . . 118 ALA CB . 6563 1 1362 . 1 1 118 118 ALA N N 15 120.464 0.20 . 1 . . . . 118 ALA N . 6563 1 1363 . 1 1 119 119 PHE H H 1 7.980 0.03 . 1 . . . . 119 PHE H . 6563 1 1364 . 1 1 119 119 PHE HA H 1 4.326 0.03 . 1 . . . . 119 PHE HA . 6563 1 1365 . 1 1 119 119 PHE HB2 H 1 3.586 0.03 . 2 . . . . 119 PHE HB2 . 6563 1 1366 . 1 1 119 119 PHE HB3 H 1 3.231 0.03 . 2 . . . . 119 PHE HB3 . 6563 1 1367 . 1 1 119 119 PHE C C 13 179.021 0.30 . 1 . . . . 119 PHE C . 6563 1 1368 . 1 1 119 119 PHE CA C 13 60.392 0.30 . 1 . . . . 119 PHE CA . 6563 1 1369 . 1 1 119 119 PHE CB C 13 39.826 0.30 . 1 . . . . 119 PHE CB . 6563 1 1370 . 1 1 119 119 PHE N N 15 122.668 0.20 . 1 . . . . 119 PHE N . 6563 1 1371 . 1 1 120 120 PHE H H 1 8.229 0.03 . 1 . . . . 120 PHE H . 6563 1 1372 . 1 1 120 120 PHE HA H 1 3.679 0.03 . 1 . . . . 120 PHE HA . 6563 1 1373 . 1 1 120 120 PHE HB2 H 1 3.388 0.03 . 2 . . . . 120 PHE HB2 . 6563 1 1374 . 1 1 120 120 PHE HB3 H 1 2.428 0.03 . 2 . . . . 120 PHE HB3 . 6563 1 1375 . 1 1 120 120 PHE HD1 H 1 6.722 0.03 . 1 . . . . 120 PHE HD1 . 6563 1 1376 . 1 1 120 120 PHE HD2 H 1 6.722 0.03 . 1 . . . . 120 PHE HD2 . 6563 1 1377 . 1 1 120 120 PHE HE1 H 1 6.972 0.03 . 1 . . . . 120 PHE HE1 . 6563 1 1378 . 1 1 120 120 PHE HE2 H 1 6.972 0.03 . 1 . . . . 120 PHE HE2 . 6563 1 1379 . 1 1 120 120 PHE HZ H 1 7.359 0.03 . 1 . . . . 120 PHE HZ . 6563 1 1380 . 1 1 120 120 PHE C C 13 177.237 0.30 . 1 . . . . 120 PHE C . 6563 1 1381 . 1 1 120 120 PHE CA C 13 64.517 0.30 . 1 . . . . 120 PHE CA . 6563 1 1382 . 1 1 120 120 PHE CB C 13 40.192 0.30 . 1 . . . . 120 PHE CB . 6563 1 1383 . 1 1 120 120 PHE N N 15 119.351 0.20 . 1 . . . . 120 PHE N . 6563 1 1384 . 1 1 121 121 GLN H H 1 7.913 0.03 . 1 . . . . 121 GLN H . 6563 1 1385 . 1 1 121 121 GLN HA H 1 3.301 0.03 . 1 . . . . 121 GLN HA . 6563 1 1386 . 1 1 121 121 GLN HB2 H 1 2.125 0.03 . 2 . . . . 121 GLN HB2 . 6563 1 1387 . 1 1 121 121 GLN HB3 H 1 1.850 0.03 . 2 . . . . 121 GLN HB3 . 6563 1 1388 . 1 1 121 121 GLN HG2 H 1 2.308 0.03 . 1 . . . . 121 GLN HG2 . 6563 1 1389 . 1 1 121 121 GLN HG3 H 1 2.308 0.03 . 1 . . . . 121 GLN HG3 . 6563 1 1390 . 1 1 121 121 GLN HE21 H 1 8.462 0.03 . 2 . . . . 121 GLN HE21 . 6563 1 1391 . 1 1 121 121 GLN HE22 H 1 6.617 0.03 . 2 . . . . 121 GLN HE22 . 6563 1 1392 . 1 1 121 121 GLN C C 13 176.714 0.30 . 1 . . . . 121 GLN C . 6563 1 1393 . 1 1 121 121 GLN CA C 13 60.008 0.30 . 1 . . . . 121 GLN CA . 6563 1 1394 . 1 1 121 121 GLN CB C 13 30.172 0.30 . 1 . . . . 121 GLN CB . 6563 1 1395 . 1 1 121 121 GLN CG C 13 34.384 0.30 . 1 . . . . 121 GLN CG . 6563 1 1396 . 1 1 121 121 GLN N N 15 116.260 0.20 . 1 . . . . 121 GLN N . 6563 1 1397 . 1 1 121 121 GLN NE2 N 15 110.863 0.20 . 1 . . . . 121 GLN NE2 . 6563 1 1398 . 1 1 122 122 ARG H H 1 8.120 0.03 . 1 . . . . 122 ARG H . 6563 1 1399 . 1 1 122 122 ARG HA H 1 4.046 0.03 . 1 . . . . 122 ARG HA . 6563 1 1400 . 1 1 122 122 ARG HB2 H 1 1.920 0.03 . 1 . . . . 122 ARG HB2 . 6563 1 1401 . 1 1 122 122 ARG HB3 H 1 1.920 0.03 . 1 . . . . 122 ARG HB3 . 6563 1 1402 . 1 1 122 122 ARG HG2 H 1 1.667 0.03 . 1 . . . . 122 ARG HG2 . 6563 1 1403 . 1 1 122 122 ARG HG3 H 1 1.667 0.03 . 1 . . . . 122 ARG HG3 . 6563 1 1404 . 1 1 122 122 ARG HD2 H 1 3.209 0.03 . 1 . . . . 122 ARG HD2 . 6563 1 1405 . 1 1 122 122 ARG HD3 H 1 3.209 0.03 . 1 . . . . 122 ARG HD3 . 6563 1 1406 . 1 1 122 122 ARG HE H 1 7.028 0.03 . 1 . . . . 122 ARG HE . 6563 1 1407 . 1 1 122 122 ARG C C 13 177.585 0.30 . 1 . . . . 122 ARG C . 6563 1 1408 . 1 1 122 122 ARG CA C 13 59.836 0.30 . 1 . . . . 122 ARG CA . 6563 1 1409 . 1 1 122 122 ARG CB C 13 29.631 0.30 . 1 . . . . 122 ARG CB . 6563 1 1410 . 1 1 122 122 ARG CG C 13 27.020 0.30 . 1 . . . . 122 ARG CG . 6563 1 1411 . 1 1 122 122 ARG CD C 13 43.514 0.30 . 1 . . . . 122 ARG CD . 6563 1 1412 . 1 1 122 122 ARG N N 15 119.377 0.20 . 1 . . . . 122 ARG N . 6563 1 1413 . 1 1 123 123 VAL H H 1 8.220 0.03 . 1 . . . . 123 VAL H . 6563 1 1414 . 1 1 123 123 VAL HA H 1 3.767 0.03 . 1 . . . . 123 VAL HA . 6563 1 1415 . 1 1 123 123 VAL HB H 1 1.875 0.03 . 1 . . . . 123 VAL HB . 6563 1 1416 . 1 1 123 123 VAL HG11 H 1 1.083 0.03 . 2 . . . . 123 VAL HG1 . 6563 1 1417 . 1 1 123 123 VAL HG12 H 1 1.083 0.03 . 2 . . . . 123 VAL HG1 . 6563 1 1418 . 1 1 123 123 VAL HG13 H 1 1.083 0.03 . 2 . . . . 123 VAL HG1 . 6563 1 1419 . 1 1 123 123 VAL HG21 H 1 1.073 0.03 . 2 . . . . 123 VAL HG2 . 6563 1 1420 . 1 1 123 123 VAL HG22 H 1 1.073 0.03 . 2 . . . . 123 VAL HG2 . 6563 1 1421 . 1 1 123 123 VAL HG23 H 1 1.073 0.03 . 2 . . . . 123 VAL HG2 . 6563 1 1422 . 1 1 123 123 VAL C C 13 177.588 0.30 . 1 . . . . 123 VAL C . 6563 1 1423 . 1 1 123 123 VAL CA C 13 67.021 0.30 . 1 . . . . 123 VAL CA . 6563 1 1424 . 1 1 123 123 VAL CB C 13 32.188 0.30 . 1 . . . . 123 VAL CB . 6563 1 1425 . 1 1 123 123 VAL CG1 C 13 23.751 0.30 . 2 . . . . 123 VAL CG1 . 6563 1 1426 . 1 1 123 123 VAL CG2 C 13 21.320 0.30 . 2 . . . . 123 VAL CG2 . 6563 1 1427 . 1 1 123 123 VAL N N 15 119.912 0.20 . 1 . . . . 123 VAL N . 6563 1 1428 . 1 1 124 124 ARG H H 1 8.254 0.03 . 1 . . . . 124 ARG H . 6563 1 1429 . 1 1 124 124 ARG HA H 1 4.128 0.03 . 1 . . . . 124 ARG HA . 6563 1 1430 . 1 1 124 124 ARG HB2 H 1 1.944 0.03 . 1 . . . . 124 ARG HB2 . 6563 1 1431 . 1 1 124 124 ARG HB3 H 1 1.944 0.03 . 1 . . . . 124 ARG HB3 . 6563 1 1432 . 1 1 124 124 ARG HG2 H 1 1.701 0.03 . 1 . . . . 124 ARG HG2 . 6563 1 1433 . 1 1 124 124 ARG HG3 H 1 1.701 0.03 . 1 . . . . 124 ARG HG3 . 6563 1 1434 . 1 1 124 124 ARG HD2 H 1 2.714 0.03 . 2 . . . . 124 ARG HD2 . 6563 1 1435 . 1 1 124 124 ARG HD3 H 1 2.531 0.03 . 2 . . . . 124 ARG HD3 . 6563 1 1436 . 1 1 124 124 ARG C C 13 179.828 0.30 . 1 . . . . 124 ARG C . 6563 1 1437 . 1 1 124 124 ARG CA C 13 60.664 0.30 . 1 . . . . 124 ARG CA . 6563 1 1438 . 1 1 124 124 ARG CB C 13 30.051 0.30 . 1 . . . . 124 ARG CB . 6563 1 1439 . 1 1 124 124 ARG CG C 13 26.553 0.30 . 1 . . . . 124 ARG CG . 6563 1 1440 . 1 1 124 124 ARG CD C 13 44.766 0.30 . 1 . . . . 124 ARG CD . 6563 1 1441 . 1 1 124 124 ARG N N 15 119.760 0.20 . 1 . . . . 124 ARG N . 6563 1 1442 . 1 1 125 125 ASP H H 1 8.370 0.03 . 1 . . . . 125 ASP H . 6563 1 1443 . 1 1 125 125 ASP HA H 1 4.587 0.03 . 1 . . . . 125 ASP HA . 6563 1 1444 . 1 1 125 125 ASP HB2 H 1 2.929 0.03 . 2 . . . . 125 ASP HB2 . 6563 1 1445 . 1 1 125 125 ASP HB3 H 1 2.696 0.03 . 2 . . . . 125 ASP HB3 . 6563 1 1446 . 1 1 125 125 ASP C C 13 178.687 0.30 . 1 . . . . 125 ASP C . 6563 1 1447 . 1 1 125 125 ASP CA C 13 57.419 0.30 . 1 . . . . 125 ASP CA . 6563 1 1448 . 1 1 125 125 ASP CB C 13 39.563 0.30 . 1 . . . . 125 ASP CB . 6563 1 1449 . 1 1 125 125 ASP N N 15 122.311 0.20 . 1 . . . . 125 ASP N . 6563 1 1450 . 1 1 126 126 GLU H H 1 8.754 0.03 . 1 . . . . 126 GLU H . 6563 1 1451 . 1 1 126 126 GLU HA H 1 4.064 0.03 . 1 . . . . 126 GLU HA . 6563 1 1452 . 1 1 126 126 GLU HB2 H 1 2.445 0.03 . 2 . . . . 126 GLU HB2 . 6563 1 1453 . 1 1 126 126 GLU HB3 H 1 2.317 0.03 . 2 . . . . 126 GLU HB3 . 6563 1 1454 . 1 1 126 126 GLU HG2 H 1 2.713 0.03 . 1 . . . . 126 GLU HG2 . 6563 1 1455 . 1 1 126 126 GLU HG3 H 1 2.713 0.03 . 1 . . . . 126 GLU HG3 . 6563 1 1456 . 1 1 126 126 GLU C C 13 180.610 0.30 . 1 . . . . 126 GLU C . 6563 1 1457 . 1 1 126 126 GLU CA C 13 59.691 0.30 . 1 . . . . 126 GLU CA . 6563 1 1458 . 1 1 126 126 GLU CB C 13 30.305 0.30 . 1 . . . . 126 GLU CB . 6563 1 1459 . 1 1 126 126 GLU CG C 13 36.944 0.30 . 1 . . . . 126 GLU CG . 6563 1 1460 . 1 1 126 126 GLU N N 15 123.719 0.20 . 1 . . . . 126 GLU N . 6563 1 1461 . 1 1 127 127 ILE H H 1 8.317 0.03 . 1 . . . . 127 ILE H . 6563 1 1462 . 1 1 127 127 ILE HA H 1 3.144 0.03 . 1 . . . . 127 ILE HA . 6563 1 1463 . 1 1 127 127 ILE HB H 1 1.627 0.03 . 1 . . . . 127 ILE HB . 6563 1 1464 . 1 1 127 127 ILE HG12 H 1 1.091 0.03 . 2 . . . . 127 ILE HG12 . 6563 1 1465 . 1 1 127 127 ILE HG13 H 1 -0.676 0.03 . 2 . . . . 127 ILE HG13 . 6563 1 1466 . 1 1 127 127 ILE HG21 H 1 0.666 0.03 . 1 . . . . 127 ILE HG2 . 6563 1 1467 . 1 1 127 127 ILE HG22 H 1 0.666 0.03 . 1 . . . . 127 ILE HG2 . 6563 1 1468 . 1 1 127 127 ILE HG23 H 1 0.666 0.03 . 1 . . . . 127 ILE HG2 . 6563 1 1469 . 1 1 127 127 ILE HD11 H 1 0.675 0.03 . 1 . . . . 127 ILE HD1 . 6563 1 1470 . 1 1 127 127 ILE HD12 H 1 0.675 0.03 . 1 . . . . 127 ILE HD1 . 6563 1 1471 . 1 1 127 127 ILE HD13 H 1 0.675 0.03 . 1 . . . . 127 ILE HD1 . 6563 1 1472 . 1 1 127 127 ILE C C 13 177.642 0.30 . 1 . . . . 127 ILE C . 6563 1 1473 . 1 1 127 127 ILE CA C 13 65.587 0.30 . 1 . . . . 127 ILE CA . 6563 1 1474 . 1 1 127 127 ILE CB C 13 37.815 0.30 . 1 . . . . 127 ILE CB . 6563 1 1475 . 1 1 127 127 ILE CG1 C 13 27.079 0.30 . 1 . . . . 127 ILE CG1 . 6563 1 1476 . 1 1 127 127 ILE CG2 C 13 17.528 0.30 . 1 . . . . 127 ILE CG2 . 6563 1 1477 . 1 1 127 127 ILE CD1 C 13 15.702 0.30 . 1 . . . . 127 ILE CD1 . 6563 1 1478 . 1 1 127 127 ILE N N 15 122.120 0.20 . 1 . . . . 127 ILE N . 6563 1 1479 . 1 1 128 128 GLY H H 1 7.961 0.03 . 1 . . . . 128 GLY H . 6563 1 1480 . 1 1 128 128 GLY HA2 H 1 2.017 0.03 . 2 . . . . 128 GLY HA2 . 6563 1 1481 . 1 1 128 128 GLY HA3 H 1 1.941 0.03 . 2 . . . . 128 GLY HA3 . 6563 1 1482 . 1 1 128 128 GLY C C 13 175.314 0.30 . 1 . . . . 128 GLY C . 6563 1 1483 . 1 1 128 128 GLY CA C 13 46.116 0.30 . 1 . . . . 128 GLY CA . 6563 1 1484 . 1 1 128 128 GLY N N 15 108.419 0.20 . 1 . . . . 128 GLY N . 6563 1 1485 . 1 1 129 129 ASN H H 1 8.150 0.03 . 1 . . . . 129 ASN H . 6563 1 1486 . 1 1 129 129 ASN HA H 1 4.180 0.03 . 1 . . . . 129 ASN HA . 6563 1 1487 . 1 1 129 129 ASN HB2 H 1 2.713 0.03 . 1 . . . . 129 ASN HB2 . 6563 1 1488 . 1 1 129 129 ASN HB3 H 1 2.713 0.03 . 1 . . . . 129 ASN HB3 . 6563 1 1489 . 1 1 129 129 ASN HD21 H 1 7.562 0.03 . 2 . . . . 129 ASN HD21 . 6563 1 1490 . 1 1 129 129 ASN HD22 H 1 6.921 0.03 . 2 . . . . 129 ASN HD22 . 6563 1 1491 . 1 1 129 129 ASN C C 13 177.924 0.30 . 1 . . . . 129 ASN C . 6563 1 1492 . 1 1 129 129 ASN CA C 13 55.796 0.30 . 1 . . . . 129 ASN CA . 6563 1 1493 . 1 1 129 129 ASN CB C 13 38.128 0.30 . 1 . . . . 129 ASN CB . 6563 1 1494 . 1 1 129 129 ASN N N 15 119.119 0.20 . 1 . . . . 129 ASN N . 6563 1 1495 . 1 1 129 129 ASN ND2 N 15 113.304 0.20 . 1 . . . . 129 ASN ND2 . 6563 1 1496 . 1 1 130 130 ARG H H 1 7.648 0.03 . 1 . . . . 130 ARG H . 6563 1 1497 . 1 1 130 130 ARG HA H 1 4.168 0.03 . 1 . . . . 130 ARG HA . 6563 1 1498 . 1 1 130 130 ARG HB2 H 1 1.794 0.03 . 1 . . . . 130 ARG HB2 . 6563 1 1499 . 1 1 130 130 ARG HB3 H 1 1.794 0.03 . 1 . . . . 130 ARG HB3 . 6563 1 1500 . 1 1 130 130 ARG HG2 H 1 2.003 0.03 . 1 . . . . 130 ARG HG2 . 6563 1 1501 . 1 1 130 130 ARG HG3 H 1 2.003 0.03 . 1 . . . . 130 ARG HG3 . 6563 1 1502 . 1 1 130 130 ARG HD2 H 1 2.568 0.03 . 1 . . . . 130 ARG HD2 . 6563 1 1503 . 1 1 130 130 ARG HD3 H 1 2.568 0.03 . 1 . . . . 130 ARG HD3 . 6563 1 1504 . 1 1 130 130 ARG HE H 1 6.227 0.03 . 1 . . . . 130 ARG HE . 6563 1 1505 . 1 1 130 130 ARG C C 13 178.940 0.30 . 1 . . . . 130 ARG C . 6563 1 1506 . 1 1 130 130 ARG CA C 13 56.883 0.30 . 1 . . . . 130 ARG CA . 6563 1 1507 . 1 1 130 130 ARG CB C 13 29.079 0.30 . 1 . . . . 130 ARG CB . 6563 1 1508 . 1 1 130 130 ARG CG C 13 26.436 0.30 . 1 . . . . 130 ARG CG . 6563 1 1509 . 1 1 130 130 ARG CD C 13 42.081 0.30 . 1 . . . . 130 ARG CD . 6563 1 1510 . 1 1 130 130 ARG N N 15 121.785 0.20 . 1 . . . . 130 ARG N . 6563 1 1511 . 1 1 131 131 LEU H H 1 8.167 0.03 . 1 . . . . 131 LEU H . 6563 1 1512 . 1 1 131 131 LEU HA H 1 4.180 0.03 . 1 . . . . 131 LEU HA . 6563 1 1513 . 1 1 131 131 LEU HB2 H 1 2.015 0.03 . 2 . . . . 131 LEU HB2 . 6563 1 1514 . 1 1 131 131 LEU HB3 H 1 1.563 0.03 . 2 . . . . 131 LEU HB3 . 6563 1 1515 . 1 1 131 131 LEU HG H 1 1.266 0.03 . 1 . . . . 131 LEU HG . 6563 1 1516 . 1 1 131 131 LEU HD11 H 1 0.666 0.03 . 1 . . . . 131 LEU HD1 . 6563 1 1517 . 1 1 131 131 LEU HD12 H 1 0.666 0.03 . 1 . . . . 131 LEU HD1 . 6563 1 1518 . 1 1 131 131 LEU HD13 H 1 0.666 0.03 . 1 . . . . 131 LEU HD1 . 6563 1 1519 . 1 1 131 131 LEU HD21 H 1 0.666 0.03 . 1 . . . . 131 LEU HD2 . 6563 1 1520 . 1 1 131 131 LEU HD22 H 1 0.666 0.03 . 1 . . . . 131 LEU HD2 . 6563 1 1521 . 1 1 131 131 LEU HD23 H 1 0.666 0.03 . 1 . . . . 131 LEU HD2 . 6563 1 1522 . 1 1 131 131 LEU C C 13 178.236 0.30 . 1 . . . . 131 LEU C . 6563 1 1523 . 1 1 131 131 LEU CA C 13 56.863 0.30 . 1 . . . . 131 LEU CA . 6563 1 1524 . 1 1 131 131 LEU CB C 13 41.783 0.30 . 1 . . . . 131 LEU CB . 6563 1 1525 . 1 1 131 131 LEU CG C 13 29.939 0.30 . 1 . . . . 131 LEU CG . 6563 1 1526 . 1 1 131 131 LEU CD1 C 13 26.237 0.30 . 2 . . . . 131 LEU CD1 . 6563 1 1527 . 1 1 131 131 LEU CD2 C 13 24.411 0.30 . 2 . . . . 131 LEU CD2 . 6563 1 1528 . 1 1 131 131 LEU N N 15 122.764 0.20 . 1 . . . . 131 LEU N . 6563 1 1529 . 1 1 132 132 LYS H H 1 8.295 0.03 . 1 . . . . 132 LYS H . 6563 1 1530 . 1 1 132 132 LYS HA H 1 3.070 0.03 . 1 . . . . 132 LYS HA . 6563 1 1531 . 1 1 132 132 LYS HB2 H 1 1.644 0.03 . 2 . . . . 132 LYS HB2 . 6563 1 1532 . 1 1 132 132 LYS HB3 H 1 1.295 0.03 . 2 . . . . 132 LYS HB3 . 6563 1 1533 . 1 1 132 132 LYS HG2 H 1 0.940 0.03 . 2 . . . . 132 LYS HG2 . 6563 1 1534 . 1 1 132 132 LYS HG3 H 1 1.027 0.03 . 2 . . . . 132 LYS HG3 . 6563 1 1535 . 1 1 132 132 LYS HD2 H 1 1.498 0.03 . 2 . . . . 132 LYS HD2 . 6563 1 1536 . 1 1 132 132 LYS HD3 H 1 1.430 0.03 . 2 . . . . 132 LYS HD3 . 6563 1 1537 . 1 1 132 132 LYS HE2 H 1 2.860 0.03 . 1 . . . . 132 LYS HE2 . 6563 1 1538 . 1 1 132 132 LYS HE3 H 1 2.860 0.03 . 1 . . . . 132 LYS HE3 . 6563 1 1539 . 1 1 132 132 LYS C C 13 178.491 0.30 . 1 . . . . 132 LYS C . 6563 1 1540 . 1 1 132 132 LYS CA C 13 60.000 0.30 . 1 . . . . 132 LYS CA . 6563 1 1541 . 1 1 132 132 LYS CB C 13 32.037 0.30 . 1 . . . . 132 LYS CB . 6563 1 1542 . 1 1 132 132 LYS CG C 13 24.411 0.30 . 1 . . . . 132 LYS CG . 6563 1 1543 . 1 1 132 132 LYS CD C 13 29.608 0.30 . 1 . . . . 132 LYS CD . 6563 1 1544 . 1 1 132 132 LYS CE C 13 42.250 0.30 . 1 . . . . 132 LYS CE . 6563 1 1545 . 1 1 132 132 LYS N N 15 123.404 0.20 . 1 . . . . 132 LYS N . 6563 1 1546 . 1 1 133 133 GLU H H 1 7.486 0.03 . 1 . . . . 133 GLU H . 6563 1 1547 . 1 1 133 133 GLU HA H 1 4.104 0.03 . 1 . . . . 133 GLU HA . 6563 1 1548 . 1 1 133 133 GLU HB2 H 1 2.096 0.03 . 2 . . . . 133 GLU HB2 . 6563 1 1549 . 1 1 133 133 GLU HB3 H 1 2.015 0.03 . 2 . . . . 133 GLU HB3 . 6563 1 1550 . 1 1 133 133 GLU HG2 H 1 2.317 0.03 . 1 . . . . 133 GLU HG2 . 6563 1 1551 . 1 1 133 133 GLU HG3 H 1 2.317 0.03 . 1 . . . . 133 GLU HG3 . 6563 1 1552 . 1 1 133 133 GLU C C 13 180.162 0.30 . 1 . . . . 133 GLU C . 6563 1 1553 . 1 1 133 133 GLU CA C 13 59.236 0.30 . 1 . . . . 133 GLU CA . 6563 1 1554 . 1 1 133 133 GLU CB C 13 29.570 0.30 . 1 . . . . 133 GLU CB . 6563 1 1555 . 1 1 133 133 GLU CG C 13 35.893 0.30 . 1 . . . . 133 GLU CG . 6563 1 1556 . 1 1 133 133 GLU N N 15 118.690 0.20 . 1 . . . . 133 GLU N . 6563 1 1557 . 1 1 134 134 PHE H H 1 8.208 0.03 . 1 . . . . 134 PHE H . 6563 1 1558 . 1 1 134 134 PHE HA H 1 4.640 0.03 . 1 . . . . 134 PHE HA . 6563 1 1559 . 1 1 134 134 PHE HB2 H 1 3.225 0.03 . 1 . . . . 134 PHE HB2 . 6563 1 1560 . 1 1 134 134 PHE HB3 H 1 3.225 0.03 . 1 . . . . 134 PHE HB3 . 6563 1 1561 . 1 1 134 134 PHE HD1 H 1 7.159 0.03 . 1 . . . . 134 PHE HD1 . 6563 1 1562 . 1 1 134 134 PHE HD2 H 1 7.159 0.03 . 1 . . . . 134 PHE HD2 . 6563 1 1563 . 1 1 134 134 PHE HE1 H 1 7.042 0.03 . 1 . . . . 134 PHE HE1 . 6563 1 1564 . 1 1 134 134 PHE HE2 H 1 7.042 0.03 . 1 . . . . 134 PHE HE2 . 6563 1 1565 . 1 1 134 134 PHE HZ H 1 6.940 0.03 . 1 . . . . 134 PHE HZ . 6563 1 1566 . 1 1 134 134 PHE C C 13 178.523 0.30 . 1 . . . . 134 PHE C . 6563 1 1567 . 1 1 134 134 PHE CA C 13 60.910 0.30 . 1 . . . . 134 PHE CA . 6563 1 1568 . 1 1 134 134 PHE CB C 13 39.959 0.30 . 1 . . . . 134 PHE CB . 6563 1 1569 . 1 1 134 134 PHE N N 15 123.624 0.20 . 1 . . . . 134 PHE N . 6563 1 1570 . 1 1 135 135 ALA H H 1 8.901 0.03 . 1 . . . . 135 ALA H . 6563 1 1571 . 1 1 135 135 ALA HA H 1 3.837 0.03 . 1 . . . . 135 ALA HA . 6563 1 1572 . 1 1 135 135 ALA HB1 H 1 1.539 0.03 . 1 . . . . 135 ALA HB . 6563 1 1573 . 1 1 135 135 ALA HB2 H 1 1.539 0.03 . 1 . . . . 135 ALA HB . 6563 1 1574 . 1 1 135 135 ALA HB3 H 1 1.539 0.03 . 1 . . . . 135 ALA HB . 6563 1 1575 . 1 1 135 135 ALA C C 13 179.419 0.30 . 1 . . . . 135 ALA C . 6563 1 1576 . 1 1 135 135 ALA CA C 13 54.857 0.30 . 1 . . . . 135 ALA CA . 6563 1 1577 . 1 1 135 135 ALA CB C 13 18.937 0.30 . 1 . . . . 135 ALA CB . 6563 1 1578 . 1 1 135 135 ALA N N 15 123.576 0.20 . 1 . . . . 135 ALA N . 6563 1 1579 . 1 1 136 136 GLU H H 1 8.032 0.03 . 1 . . . . 136 GLU H . 6563 1 1580 . 1 1 136 136 GLU HA H 1 4.238 0.03 . 1 . . . . 136 GLU HA . 6563 1 1581 . 1 1 136 136 GLU HB2 H 1 2.185 0.03 . 2 . . . . 136 GLU HB2 . 6563 1 1582 . 1 1 136 136 GLU HB3 H 1 2.103 0.03 . 2 . . . . 136 GLU HB3 . 6563 1 1583 . 1 1 136 136 GLU HG2 H 1 2.295 0.03 . 1 . . . . 136 GLU HG2 . 6563 1 1584 . 1 1 136 136 GLU HG3 H 1 2.295 0.03 . 1 . . . . 136 GLU HG3 . 6563 1 1585 . 1 1 136 136 GLU C C 13 178.513 0.30 . 1 . . . . 136 GLU C . 6563 1 1586 . 1 1 136 136 GLU CA C 13 58.390 0.30 . 1 . . . . 136 GLU CA . 6563 1 1587 . 1 1 136 136 GLU CB C 13 30.830 0.30 . 1 . . . . 136 GLU CB . 6563 1 1588 . 1 1 136 136 GLU CG C 13 36.912 0.30 . 1 . . . . 136 GLU CG . 6563 1 1589 . 1 1 136 136 GLU N N 15 115.826 0.20 . 1 . . . . 136 GLU N . 6563 1 1590 . 1 1 137 137 THR H H 1 8.201 0.03 . 1 . . . . 137 THR H . 6563 1 1591 . 1 1 137 137 THR HA H 1 4.586 0.03 . 1 . . . . 137 THR HA . 6563 1 1592 . 1 1 137 137 THR HB H 1 4.342 0.03 . 1 . . . . 137 THR HB . 6563 1 1593 . 1 1 137 137 THR HG21 H 1 1.358 0.03 . 1 . . . . 137 THR HG2 . 6563 1 1594 . 1 1 137 137 THR HG22 H 1 1.358 0.03 . 1 . . . . 137 THR HG2 . 6563 1 1595 . 1 1 137 137 THR HG23 H 1 1.358 0.03 . 1 . . . . 137 THR HG2 . 6563 1 1596 . 1 1 137 137 THR C C 13 176.119 0.30 . 1 . . . . 137 THR C . 6563 1 1597 . 1 1 137 137 THR CA C 13 62.596 0.30 . 1 . . . . 137 THR CA . 6563 1 1598 . 1 1 137 137 THR CB C 13 71.907 0.30 . 1 . . . . 137 THR CB . 6563 1 1599 . 1 1 137 137 THR CG2 C 13 21.320 0.30 . 1 . . . . 137 THR CG2 . 6563 1 1600 . 1 1 137 137 THR N N 15 108.922 0.20 . 1 . . . . 137 THR N . 6563 1 1601 . 1 1 138 138 GLY H H 1 8.462 0.03 . 1 . . . . 138 GLY H . 6563 1 1602 . 1 1 138 138 GLY HA2 H 1 4.023 0.03 . 2 . . . . 138 GLY HA2 . 6563 1 1603 . 1 1 138 138 GLY HA3 H 1 3.540 0.03 . 2 . . . . 138 GLY HA3 . 6563 1 1604 . 1 1 138 138 GLY C C 13 173.396 0.30 . 1 . . . . 138 GLY C . 6563 1 1605 . 1 1 138 138 GLY CA C 13 45.724 0.30 . 1 . . . . 138 GLY CA . 6563 1 1606 . 1 1 138 138 GLY N N 15 113.392 0.20 . 1 . . . . 138 GLY N . 6563 1 1607 . 1 1 139 139 LYS H H 1 7.839 0.03 . 1 . . . . 139 LYS H . 6563 1 1608 . 1 1 139 139 LYS HA H 1 4.512 0.03 . 1 . . . . 139 LYS HA . 6563 1 1609 . 1 1 139 139 LYS HB2 H 1 1.927 0.03 . 2 . . . . 139 LYS HB2 . 6563 1 1610 . 1 1 139 139 LYS HB3 H 1 1.794 0.03 . 2 . . . . 139 LYS HB3 . 6563 1 1611 . 1 1 139 139 LYS HG2 H 1 1.434 0.03 . 1 . . . . 139 LYS HG2 . 6563 1 1612 . 1 1 139 139 LYS HG3 H 1 1.434 0.03 . 1 . . . . 139 LYS HG3 . 6563 1 1613 . 1 1 139 139 LYS HD2 H 1 1.764 0.03 . 1 . . . . 139 LYS HD2 . 6563 1 1614 . 1 1 139 139 LYS HD3 H 1 1.764 0.03 . 1 . . . . 139 LYS HD3 . 6563 1 1615 . 1 1 139 139 LYS HE2 H 1 3.093 0.03 . 1 . . . . 139 LYS HE2 . 6563 1 1616 . 1 1 139 139 LYS HE3 H 1 3.093 0.03 . 1 . . . . 139 LYS HE3 . 6563 1 1617 . 1 1 139 139 LYS CA C 13 57.350 0.30 . 1 . . . . 139 LYS CA . 6563 1 1618 . 1 1 139 139 LYS CB C 13 34.871 0.30 . 1 . . . . 139 LYS CB . 6563 1 1619 . 1 1 139 139 LYS CG C 13 24.590 0.30 . 1 . . . . 139 LYS CG . 6563 1 1620 . 1 1 139 139 LYS CD C 13 29.370 0.30 . 1 . . . . 139 LYS CD . 6563 1 1621 . 1 1 139 139 LYS N N 15 125.686 0.20 . 1 . . . . 139 LYS N . 6563 1 stop_ save_