data_6847 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6847 _Entry.Title ; NMR assignments of a thioredoxin-like protein in the oxidized state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-30 _Entry.Accession_date 2005-09-30 _Entry.Last_release_date 2007-02-06 _Entry.Original_release_date 2007-02-06 _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 . . . 6847 2 Zhang Xinxin . . . 6847 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6847 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 600 6847 '15N chemical shifts' 147 6847 '1H chemical shifts' 976 6847 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 . . 2007-02-06 2005-09-30 original author . 6847 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 6603 'assignment for the reduced state' 6847 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6847 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16418167 _Citation.Full_citation . _Citation.Title ; The bacillus subtilis YKUV is a thiol-disulfide oxidoreductase revealed by its redox structures and activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 8296 _Citation.Page_last 8304 _Citation.Year 2006 _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 Xinxin Zhang . . . 6847 1 2 Yunfei Hu . . . 6847 1 3 Xianrong Guo . . . 6847 1 4 Ewen Lescop . . . 6847 1 5 You Li . . . 6847 1 6 Bin Xia . . . 6847 1 7 Changwen Jin . . . 6847 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6847 _Assembly.ID 1 _Assembly.Name trxy _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 'all 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 trxy 1 $thioredoxin_like_protein . . no native no no . . . 6847 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 CYS 41 41 SG . 1 . 1 CYS 44 44 SG . . . . . . . . . . 6847 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_thioredoxin_like_protein _Entity.Sf_category entity _Entity.Sf_framecode thioredoxin_like_protein _Entity.Entry_ID 6847 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name trxy _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 ; MKLRQPMPELTGEKAWLNGE VTREQLIGEKPTLIHFWSIS CHLCKEAMPQVNEFRDKYQD QLNVVAVHMPRSEDDLDPGK IKETAAEHDITQPIFVDSDH ALTDAFENEYVPAYYVFDKT GQLRHFQAGGSGMKMLEKRV NRVLAETE ; _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 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all 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 6603 . ykuV . . . . . 100.00 148 100.00 100.00 9.03e-107 . . . . 6847 1 2 no PDB 2B5X . "Solution Structure Of A Thioredoxin-Like Protein In The Reduced Form" . . . . . 100.00 148 100.00 100.00 9.03e-107 . . . . 6847 1 3 no PDB 2B5Y . "Solution Structure Of A Thioredoxin-Like Protein In The Oxidized Form" . . . . . 100.00 148 100.00 100.00 9.03e-107 . . . . 6847 1 4 no DBJ BAI85034 . "hypothetical protein BSNT_07918 [Bacillus subtilis subsp. natto BEST195]" . . . . . 95.95 142 98.59 99.30 3.25e-100 . . . . 6847 1 5 no DBJ BAM52068 . "thiol-disulfide isomerase [Synechocystis sp. PCC 6803]" . . . . . 100.00 148 100.00 100.00 9.03e-107 . . . . 6847 1 6 no DBJ BAM57645 . "thiol-disulfide isomerase [Bacillus subtilis BEST7003]" . . . . . 100.00 148 100.00 100.00 9.03e-107 . . . . 6847 1 7 no DBJ GAK78539 . "thiol-disulfide isomerase [Bacillus subtilis Miyagi-4]" . . . . . 100.00 148 98.65 99.32 4.09e-105 . . . . 6847 1 8 no EMBL CAA10885 . "YkuV protein [Bacillus subtilis]" . . . . . 96.62 153 100.00 100.00 4.52e-103 . . . . 6847 1 9 no EMBL CAB13296 . "thiol-disulfide isomerase [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 148 100.00 100.00 9.03e-107 . . . . 6847 1 10 no EMBL CCU57987 . "hypothetical protein BSUBE1_1356 [Bacillus subtilis E1]" . . . . . 100.00 148 97.97 98.65 3.27e-104 . . . . 6847 1 11 no EMBL CEI56603 . "thiol-disulfide oxidoreductase [Bacillus subtilis]" . . . . . 100.00 148 100.00 100.00 9.03e-107 . . . . 6847 1 12 no EMBL CEJ77009 . "thiol-disulfide oxidoreductase [Bacillus sp.]" . . . . . 100.00 148 100.00 100.00 9.03e-107 . . . . 6847 1 13 no GB ADV96441 . "thiol-disulfide isomerase [Bacillus subtilis BSn5]" . . . . . 100.00 148 99.32 99.32 1.73e-105 . . . . 6847 1 14 no GB AEP90568 . "thiol-disulfide oxidoreductase YkuV [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 100.00 148 98.65 99.32 6.62e-105 . . . . 6847 1 15 no GB AFI28096 . "thiol-disulfide isomerase [Bacillus sp. JS]" . . . . . 100.00 152 97.97 98.65 3.28e-104 . . . . 6847 1 16 no GB AFQ57357 . "Thiol-disulfide isomerase [Bacillus subtilis QB928]" . . . . . 100.00 148 100.00 100.00 9.03e-107 . . . . 6847 1 17 no GB AGA22975 . "Hypothetical protein YkuV [Bacillus subtilis subsp. subtilis str. BSP1]" . . . . . 100.00 148 99.32 99.32 1.73e-105 . . . . 6847 1 18 no REF NP_389306 . "thiol-disulfide oxidoreductase [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 148 100.00 100.00 9.03e-107 . . . . 6847 1 19 no REF WP_003245810 . "thiol-disulfide oxidoreductase [Bacillus subtilis]" . . . . . 100.00 148 100.00 100.00 9.03e-107 . . . . 6847 1 20 no REF WP_009968922 . "thiol-disulfide oxidoreductase [Bacillus subtilis]" . . . . . 96.62 153 100.00 100.00 4.52e-103 . . . . 6847 1 21 no REF WP_014476671 . "MULTISPECIES: thiol-disulfide oxidoreductase [Bacillus]" . . . . . 100.00 148 98.65 99.32 6.62e-105 . . . . 6847 1 22 no REF WP_014479665 . "hypothetical protein [Bacillus subtilis]" . . . . . 100.00 148 98.65 99.32 4.09e-105 . . . . 6847 1 23 no SP O31699 . "RecName: Full=Thiol-disulfide oxidoreductase YkuV [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 148 100.00 100.00 9.03e-107 . . . . 6847 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 . 6847 1 2 . LYS . 6847 1 3 . LEU . 6847 1 4 . ARG . 6847 1 5 . GLN . 6847 1 6 . PRO . 6847 1 7 . MET . 6847 1 8 . PRO . 6847 1 9 . GLU . 6847 1 10 . LEU . 6847 1 11 . THR . 6847 1 12 . GLY . 6847 1 13 . GLU . 6847 1 14 . LYS . 6847 1 15 . ALA . 6847 1 16 . TRP . 6847 1 17 . LEU . 6847 1 18 . ASN . 6847 1 19 . GLY . 6847 1 20 . GLU . 6847 1 21 . VAL . 6847 1 22 . THR . 6847 1 23 . ARG . 6847 1 24 . GLU . 6847 1 25 . GLN . 6847 1 26 . LEU . 6847 1 27 . ILE . 6847 1 28 . GLY . 6847 1 29 . GLU . 6847 1 30 . LYS . 6847 1 31 . PRO . 6847 1 32 . THR . 6847 1 33 . LEU . 6847 1 34 . ILE . 6847 1 35 . HIS . 6847 1 36 . PHE . 6847 1 37 . TRP . 6847 1 38 . SER . 6847 1 39 . ILE . 6847 1 40 . SER . 6847 1 41 . CYS . 6847 1 42 . HIS . 6847 1 43 . LEU . 6847 1 44 . CYS . 6847 1 45 . LYS . 6847 1 46 . GLU . 6847 1 47 . ALA . 6847 1 48 . MET . 6847 1 49 . PRO . 6847 1 50 . GLN . 6847 1 51 . VAL . 6847 1 52 . ASN . 6847 1 53 . GLU . 6847 1 54 . PHE . 6847 1 55 . ARG . 6847 1 56 . ASP . 6847 1 57 . LYS . 6847 1 58 . TYR . 6847 1 59 . GLN . 6847 1 60 . ASP . 6847 1 61 . GLN . 6847 1 62 . LEU . 6847 1 63 . ASN . 6847 1 64 . VAL . 6847 1 65 . VAL . 6847 1 66 . ALA . 6847 1 67 . VAL . 6847 1 68 . HIS . 6847 1 69 . MET . 6847 1 70 . PRO . 6847 1 71 . ARG . 6847 1 72 . SER . 6847 1 73 . GLU . 6847 1 74 . ASP . 6847 1 75 . ASP . 6847 1 76 . LEU . 6847 1 77 . ASP . 6847 1 78 . PRO . 6847 1 79 . GLY . 6847 1 80 . LYS . 6847 1 81 . ILE . 6847 1 82 . LYS . 6847 1 83 . GLU . 6847 1 84 . THR . 6847 1 85 . ALA . 6847 1 86 . ALA . 6847 1 87 . GLU . 6847 1 88 . HIS . 6847 1 89 . ASP . 6847 1 90 . ILE . 6847 1 91 . THR . 6847 1 92 . GLN . 6847 1 93 . PRO . 6847 1 94 . ILE . 6847 1 95 . PHE . 6847 1 96 . VAL . 6847 1 97 . ASP . 6847 1 98 . SER . 6847 1 99 . ASP . 6847 1 100 . HIS . 6847 1 101 . ALA . 6847 1 102 . LEU . 6847 1 103 . THR . 6847 1 104 . ASP . 6847 1 105 . ALA . 6847 1 106 . PHE . 6847 1 107 . GLU . 6847 1 108 . ASN . 6847 1 109 . GLU . 6847 1 110 . TYR . 6847 1 111 . VAL . 6847 1 112 . PRO . 6847 1 113 . ALA . 6847 1 114 . TYR . 6847 1 115 . TYR . 6847 1 116 . VAL . 6847 1 117 . PHE . 6847 1 118 . ASP . 6847 1 119 . LYS . 6847 1 120 . THR . 6847 1 121 . GLY . 6847 1 122 . GLN . 6847 1 123 . LEU . 6847 1 124 . ARG . 6847 1 125 . HIS . 6847 1 126 . PHE . 6847 1 127 . GLN . 6847 1 128 . ALA . 6847 1 129 . GLY . 6847 1 130 . GLY . 6847 1 131 . SER . 6847 1 132 . GLY . 6847 1 133 . MET . 6847 1 134 . LYS . 6847 1 135 . MET . 6847 1 136 . LEU . 6847 1 137 . GLU . 6847 1 138 . LYS . 6847 1 139 . ARG . 6847 1 140 . VAL . 6847 1 141 . ASN . 6847 1 142 . ARG . 6847 1 143 . VAL . 6847 1 144 . LEU . 6847 1 145 . ALA . 6847 1 146 . GLU . 6847 1 147 . THR . 6847 1 148 . GLU . 6847 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 6847 1 . LYS 2 2 6847 1 . LEU 3 3 6847 1 . ARG 4 4 6847 1 . GLN 5 5 6847 1 . PRO 6 6 6847 1 . MET 7 7 6847 1 . PRO 8 8 6847 1 . GLU 9 9 6847 1 . LEU 10 10 6847 1 . THR 11 11 6847 1 . GLY 12 12 6847 1 . GLU 13 13 6847 1 . LYS 14 14 6847 1 . ALA 15 15 6847 1 . TRP 16 16 6847 1 . LEU 17 17 6847 1 . ASN 18 18 6847 1 . GLY 19 19 6847 1 . GLU 20 20 6847 1 . VAL 21 21 6847 1 . THR 22 22 6847 1 . ARG 23 23 6847 1 . GLU 24 24 6847 1 . GLN 25 25 6847 1 . LEU 26 26 6847 1 . ILE 27 27 6847 1 . GLY 28 28 6847 1 . GLU 29 29 6847 1 . LYS 30 30 6847 1 . PRO 31 31 6847 1 . THR 32 32 6847 1 . LEU 33 33 6847 1 . ILE 34 34 6847 1 . HIS 35 35 6847 1 . PHE 36 36 6847 1 . TRP 37 37 6847 1 . SER 38 38 6847 1 . ILE 39 39 6847 1 . SER 40 40 6847 1 . CYS 41 41 6847 1 . HIS 42 42 6847 1 . LEU 43 43 6847 1 . CYS 44 44 6847 1 . LYS 45 45 6847 1 . GLU 46 46 6847 1 . ALA 47 47 6847 1 . MET 48 48 6847 1 . PRO 49 49 6847 1 . GLN 50 50 6847 1 . VAL 51 51 6847 1 . ASN 52 52 6847 1 . GLU 53 53 6847 1 . PHE 54 54 6847 1 . ARG 55 55 6847 1 . ASP 56 56 6847 1 . LYS 57 57 6847 1 . TYR 58 58 6847 1 . GLN 59 59 6847 1 . ASP 60 60 6847 1 . GLN 61 61 6847 1 . LEU 62 62 6847 1 . ASN 63 63 6847 1 . VAL 64 64 6847 1 . VAL 65 65 6847 1 . ALA 66 66 6847 1 . VAL 67 67 6847 1 . HIS 68 68 6847 1 . MET 69 69 6847 1 . PRO 70 70 6847 1 . ARG 71 71 6847 1 . SER 72 72 6847 1 . GLU 73 73 6847 1 . ASP 74 74 6847 1 . ASP 75 75 6847 1 . LEU 76 76 6847 1 . ASP 77 77 6847 1 . PRO 78 78 6847 1 . GLY 79 79 6847 1 . LYS 80 80 6847 1 . ILE 81 81 6847 1 . LYS 82 82 6847 1 . GLU 83 83 6847 1 . THR 84 84 6847 1 . ALA 85 85 6847 1 . ALA 86 86 6847 1 . GLU 87 87 6847 1 . HIS 88 88 6847 1 . ASP 89 89 6847 1 . ILE 90 90 6847 1 . THR 91 91 6847 1 . GLN 92 92 6847 1 . PRO 93 93 6847 1 . ILE 94 94 6847 1 . PHE 95 95 6847 1 . VAL 96 96 6847 1 . ASP 97 97 6847 1 . SER 98 98 6847 1 . ASP 99 99 6847 1 . HIS 100 100 6847 1 . ALA 101 101 6847 1 . LEU 102 102 6847 1 . THR 103 103 6847 1 . ASP 104 104 6847 1 . ALA 105 105 6847 1 . PHE 106 106 6847 1 . GLU 107 107 6847 1 . ASN 108 108 6847 1 . GLU 109 109 6847 1 . TYR 110 110 6847 1 . VAL 111 111 6847 1 . PRO 112 112 6847 1 . ALA 113 113 6847 1 . TYR 114 114 6847 1 . TYR 115 115 6847 1 . VAL 116 116 6847 1 . PHE 117 117 6847 1 . ASP 118 118 6847 1 . LYS 119 119 6847 1 . THR 120 120 6847 1 . GLY 121 121 6847 1 . GLN 122 122 6847 1 . LEU 123 123 6847 1 . ARG 124 124 6847 1 . HIS 125 125 6847 1 . PHE 126 126 6847 1 . GLN 127 127 6847 1 . ALA 128 128 6847 1 . GLY 129 129 6847 1 . GLY 130 130 6847 1 . SER 131 131 6847 1 . GLY 132 132 6847 1 . MET 133 133 6847 1 . LYS 134 134 6847 1 . MET 135 135 6847 1 . LEU 136 136 6847 1 . GLU 137 137 6847 1 . LYS 138 138 6847 1 . ARG 139 139 6847 1 . VAL 140 140 6847 1 . ASN 141 141 6847 1 . ARG 142 142 6847 1 . VAL 143 143 6847 1 . LEU 144 144 6847 1 . ALA 145 145 6847 1 . GLU 146 146 6847 1 . THR 147 147 6847 1 . GLU 148 148 6847 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 6847 _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 $thioredoxin_like_protein . 1423 . no . 'Bacillus subtilis' . . Eubacteria Metazoa Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 6847 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 6847 _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 $thioredoxin_like_protein . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6847 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6847 _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 trxy . . . 1 $thioredoxin_like_protein . . 1 . . mM . . . . 6847 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 6847 _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 7.4 0.1 pH 6847 1 temperature 298.4 0.1 K 6847 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer _NMR_spectrometer.Entry_ID 6847 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 6847 _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 CBCA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6847 1 2 HNCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6847 1 3 HN(CO)CA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6847 1 4 HN(CA)CO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6847 1 5 HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6847 1 6 H(CCH)-COSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6847 1 stop_ 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 6847 _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 . . . . . . . . . 6847 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6847 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6847 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 6847 _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 6847 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 1 1 MET HA H 1 3.980 0.02 . 1 . . . . 1 MET HA . 6847 1 2 . 1 1 1 1 MET HB2 H 1 1.869 0.02 . 2 . . . . 1 MET HB1 . 6847 1 3 . 1 1 1 1 MET HB3 H 1 1.926 0.02 . 2 . . . . 1 MET HB2 . 6847 1 4 . 1 1 1 1 MET HG2 H 1 2.521 0.02 . 2 . . . . 1 MET HG1 . 6847 1 5 . 1 1 1 1 MET HG3 H 1 2.474 0.02 . 2 . . . . 1 MET HG2 . 6847 1 6 . 1 1 1 1 MET HE1 H 1 1.648 0.02 . 1 . . . . 1 MET HE . 6847 1 7 . 1 1 1 1 MET HE2 H 1 1.648 0.02 . 1 . . . . 1 MET HE . 6847 1 8 . 1 1 1 1 MET HE3 H 1 1.648 0.02 . 1 . . . . 1 MET HE . 6847 1 9 . 1 1 1 1 MET C C 13 172.160 0.3 . 1 . . . . 1 MET C . 6847 1 10 . 1 1 1 1 MET CA C 13 55.730 0.3 . 1 . . . . 1 MET CA . 6847 1 11 . 1 1 1 1 MET CB C 13 35.150 0.3 . 1 . . . . 1 MET CB . 6847 1 12 . 1 1 1 1 MET CG C 13 31.612 0.3 . 1 . . . . 1 MET CG . 6847 1 13 . 1 1 1 1 MET CE C 13 17.500 0.3 . 1 . . . . 1 MET CE . 6847 1 14 . 1 1 2 2 LYS H H 1 8.234 0.02 . 1 . . . . 2 LYS HN . 6847 1 15 . 1 1 2 2 LYS HA H 1 4.484 0.02 . 1 . . . . 2 LYS HA . 6847 1 16 . 1 1 2 2 LYS HB2 H 1 1.611 0.02 . 2 . . . . 2 LYS HB1 . 6847 1 17 . 1 1 2 2 LYS HB3 H 1 1.877 0.02 . 2 . . . . 2 LYS HB2 . 6847 1 18 . 1 1 2 2 LYS HG2 H 1 1.445 0.02 . 2 . . . . 2 LYS HG1 . 6847 1 19 . 1 1 2 2 LYS HD2 H 1 1.687 0.02 . 2 . . . . 2 LYS HD2 . 6847 1 20 . 1 1 2 2 LYS C C 13 175.856 0.3 . 1 . . . . 2 LYS C . 6847 1 21 . 1 1 2 2 LYS CA C 13 54.480 0.3 . 1 . . . . 2 LYS CA . 6847 1 22 . 1 1 2 2 LYS CB C 13 34.635 0.3 . 1 . . . . 2 LYS CB . 6847 1 23 . 1 1 2 2 LYS CG C 13 24.979 0.3 . 1 . . . . 2 LYS CG . 6847 1 24 . 1 1 2 2 LYS CD C 13 29.334 0.3 . 1 . . . . 2 LYS CD . 6847 1 25 . 1 1 2 2 LYS CE C 13 42.149 0.3 . 1 . . . . 2 LYS CE . 6847 1 26 . 1 1 2 2 LYS N N 15 122.854 0.02 . 1 . . . . 2 LYS N . 6847 1 27 . 1 1 3 3 LEU H H 1 8.373 0.02 . 1 . . . . 3 LEU HN . 6847 1 28 . 1 1 3 3 LEU HA H 1 3.757 0.02 . 1 . . . . 3 LEU HA . 6847 1 29 . 1 1 3 3 LEU HB2 H 1 1.400 0.02 . 2 . . . . 3 LEU HB1 . 6847 1 30 . 1 1 3 3 LEU HB3 H 1 1.780 0.02 . 2 . . . . 3 LEU HB2 . 6847 1 31 . 1 1 3 3 LEU HG H 1 1.818 0.02 . 1 . . . . 3 LEU HG . 6847 1 32 . 1 1 3 3 LEU HD11 H 1 0.991 0.02 . 2 . . . . 3 LEU HD1 . 6847 1 33 . 1 1 3 3 LEU HD12 H 1 0.991 0.02 . 2 . . . . 3 LEU HD1 . 6847 1 34 . 1 1 3 3 LEU HD13 H 1 0.991 0.02 . 2 . . . . 3 LEU HD1 . 6847 1 35 . 1 1 3 3 LEU HD21 H 1 0.777 0.02 . 2 . . . . 3 LEU HD2 . 6847 1 36 . 1 1 3 3 LEU HD22 H 1 0.777 0.02 . 2 . . . . 3 LEU HD2 . 6847 1 37 . 1 1 3 3 LEU HD23 H 1 0.777 0.02 . 2 . . . . 3 LEU HD2 . 6847 1 38 . 1 1 3 3 LEU C C 13 177.997 0.3 . 1 . . . . 3 LEU C . 6847 1 39 . 1 1 3 3 LEU CA C 13 57.220 0.3 . 1 . . . . 3 LEU CA . 6847 1 40 . 1 1 3 3 LEU CB C 13 41.410 0.3 . 1 . . . . 3 LEU CB . 6847 1 41 . 1 1 3 3 LEU CG C 13 27.197 0.3 . 1 . . . . 3 LEU CG . 6847 1 42 . 1 1 3 3 LEU CD1 C 13 25.085 0.3 . 1 . . . . 3 LEU CD1 . 6847 1 43 . 1 1 3 3 LEU CD2 C 13 22.415 0.3 . 1 . . . . 3 LEU CD2 . 6847 1 44 . 1 1 3 3 LEU N N 15 119.801 0.02 . 1 . . . . 3 LEU N . 6847 1 45 . 1 1 4 4 ARG H H 1 9.282 0.02 . 1 . . . . 4 ARG HN . 6847 1 46 . 1 1 4 4 ARG HA H 1 3.670 0.02 . 1 . . . . 4 ARG HA . 6847 1 47 . 1 1 4 4 ARG HB2 H 1 2.280 0.02 . 2 . . . . 4 ARG HB1 . 6847 1 48 . 1 1 4 4 ARG HB3 H 1 2.060 0.02 . 2 . . . . 4 ARG HB2 . 6847 1 49 . 1 1 4 4 ARG HG2 H 1 1.647 0.02 . 2 . . . . 4 ARG HG1 . 6847 1 50 . 1 1 4 4 ARG HG3 H 1 1.478 0.02 . 2 . . . . 4 ARG HG2 . 6847 1 51 . 1 1 4 4 ARG HD2 H 1 3.161 0.02 . 2 . . . . 4 ARG HD1 . 6847 1 52 . 1 1 4 4 ARG HD3 H 1 3.211 0.02 . 2 . . . . 4 ARG HD2 . 6847 1 53 . 1 1 4 4 ARG C C 13 174.680 0.3 . 1 . . . . 4 ARG C . 6847 1 54 . 1 1 4 4 ARG CA C 13 58.200 0.3 . 1 . . . . 4 ARG CA . 6847 1 55 . 1 1 4 4 ARG CB C 13 26.730 0.3 . 1 . . . . 4 ARG CB . 6847 1 56 . 1 1 4 4 ARG CG C 13 28.000 0.3 . 1 . . . . 4 ARG CG . 6847 1 57 . 1 1 4 4 ARG CD C 13 42.833 0.3 . 1 . . . . 4 ARG CD . 6847 1 58 . 1 1 4 4 ARG N N 15 114.375 0.02 . 1 . . . . 4 ARG N . 6847 1 59 . 1 1 5 5 GLN H H 1 7.745 0.02 . 1 . . . . 5 GLN HN . 6847 1 60 . 1 1 5 5 GLN HA H 1 4.515 0.02 . 1 . . . . 5 GLN HA . 6847 1 61 . 1 1 5 5 GLN HB2 H 1 2.050 0.02 . 2 . . . . 5 GLN HB1 . 6847 1 62 . 1 1 5 5 GLN HB3 H 1 2.250 0.02 . 2 . . . . 5 GLN HB2 . 6847 1 63 . 1 1 5 5 GLN HG2 H 1 2.488 0.02 . 2 . . . . 5 GLN HG2 . 6847 1 64 . 1 1 5 5 GLN HE21 H 1 7.161 0.02 . 2 . . . . 5 GLN HE21 . 6847 1 65 . 1 1 5 5 GLN HE22 H 1 7.717 0.02 . 2 . . . . 5 GLN HE22 . 6847 1 66 . 1 1 5 5 GLN C C 13 176.793 0.3 . 1 . . . . 5 GLN C . 6847 1 67 . 1 1 5 5 GLN CA C 13 54.800 0.3 . 1 . . . . 5 GLN CA . 6847 1 68 . 1 1 5 5 GLN CB C 13 29.720 0.3 . 1 . . . . 5 GLN CB . 6847 1 69 . 1 1 5 5 GLN CG C 13 34.103 0.3 . 1 . . . . 5 GLN CG . 6847 1 70 . 1 1 5 5 GLN N N 15 121.524 0.02 . 1 . . . . 5 GLN N . 6847 1 71 . 1 1 5 5 GLN NE2 N 15 113.951 0.02 . 1 . . . . 5 GLN NE2 . 6847 1 72 . 1 1 6 6 PRO HA H 1 4.822 0.02 . 1 . . . . 6 PRO HA . 6847 1 73 . 1 1 6 6 PRO HB2 H 1 1.690 0.02 . 2 . . . . 6 PRO HB1 . 6847 1 74 . 1 1 6 6 PRO HB3 H 1 2.219 0.02 . 2 . . . . 6 PRO HB2 . 6847 1 75 . 1 1 6 6 PRO HG2 H 1 1.919 0.02 . 1 . . . . 6 PRO HG1 . 6847 1 76 . 1 1 6 6 PRO HG3 H 1 1.919 0.02 . 1 . . . . 6 PRO HG2 . 6847 1 77 . 1 1 6 6 PRO HD2 H 1 3.610 0.02 . 2 . . . . 6 PRO HD1 . 6847 1 78 . 1 1 6 6 PRO HD3 H 1 3.838 0.02 . 2 . . . . 6 PRO HD2 . 6847 1 79 . 1 1 6 6 PRO C C 13 177.028 0.3 . 1 . . . . 6 PRO C . 6847 1 80 . 1 1 6 6 PRO CA C 13 62.000 0.3 . 1 . . . . 6 PRO CA . 6847 1 81 . 1 1 6 6 PRO CB C 13 32.377 0.3 . 1 . . . . 6 PRO CB . 6847 1 82 . 1 1 6 6 PRO CG C 13 27.290 0.3 . 1 . . . . 6 PRO CG . 6847 1 83 . 1 1 6 6 PRO CD C 13 50.730 0.3 . 1 . . . . 6 PRO CD . 6847 1 84 . 1 1 7 7 MET H H 1 8.570 0.02 . 1 . . . . 7 MET HN . 6847 1 85 . 1 1 7 7 MET HA H 1 3.658 0.02 . 1 . . . . 7 MET HA . 6847 1 86 . 1 1 7 7 MET HB2 H 1 1.640 0.02 . 2 . . . . 7 MET HB1 . 6847 1 87 . 1 1 7 7 MET HB3 H 1 1.483 0.02 . 2 . . . . 7 MET HB2 . 6847 1 88 . 1 1 7 7 MET HG2 H 1 1.269 0.02 . 2 . . . . 7 MET HG1 . 6847 1 89 . 1 1 7 7 MET HG3 H 1 2.625 0.02 . 2 . . . . 7 MET HG2 . 6847 1 90 . 1 1 7 7 MET HE1 H 1 1.370 0.02 . 1 . . . . 7 MET HE . 6847 1 91 . 1 1 7 7 MET HE2 H 1 1.370 0.02 . 1 . . . . 7 MET HE . 6847 1 92 . 1 1 7 7 MET HE3 H 1 1.370 0.02 . 1 . . . . 7 MET HE . 6847 1 93 . 1 1 7 7 MET C C 13 174.541 0.3 . 1 . . . . 7 MET C . 6847 1 94 . 1 1 7 7 MET CA C 13 54.770 0.3 . 1 . . . . 7 MET CA . 6847 1 95 . 1 1 7 7 MET CB C 13 35.010 0.3 . 1 . . . . 7 MET CB . 6847 1 96 . 1 1 7 7 MET CG C 13 28.259 0.3 . 1 . . . . 7 MET CG . 6847 1 97 . 1 1 7 7 MET CE C 13 14.976 0.3 . 1 . . . . 7 MET CE . 6847 1 98 . 1 1 7 7 MET N N 15 122.343 0.02 . 1 . . . . 7 MET N . 6847 1 99 . 1 1 8 8 PRO HA H 1 4.365 0.02 . 1 . . . . 8 PRO HA . 6847 1 100 . 1 1 8 8 PRO HB2 H 1 2.218 0.02 . 2 . . . . 8 PRO HB1 . 6847 1 101 . 1 1 8 8 PRO HB3 H 1 1.661 0.02 . 2 . . . . 8 PRO HB2 . 6847 1 102 . 1 1 8 8 PRO HG2 H 1 1.424 0.02 . 2 . . . . 8 PRO HG1 . 6847 1 103 . 1 1 8 8 PRO HG3 H 1 1.145 0.02 . 2 . . . . 8 PRO HG2 . 6847 1 104 . 1 1 8 8 PRO HD2 H 1 2.695 0.02 . 2 . . . . 8 PRO HD1 . 6847 1 105 . 1 1 8 8 PRO HD3 H 1 3.416 0.02 . 2 . . . . 8 PRO HD2 . 6847 1 106 . 1 1 8 8 PRO C C 13 174.166 0.3 . 1 . . . . 8 PRO C . 6847 1 107 . 1 1 8 8 PRO CA C 13 62.480 0.3 . 1 . . . . 8 PRO CA . 6847 1 108 . 1 1 8 8 PRO CB C 13 32.200 0.3 . 1 . . . . 8 PRO CB . 6847 1 109 . 1 1 8 8 PRO CG C 13 26.979 0.3 . 1 . . . . 8 PRO CG . 6847 1 110 . 1 1 8 8 PRO CD C 13 50.982 0.3 . 1 . . . . 8 PRO CD . 6847 1 111 . 1 1 9 9 GLU H H 1 7.970 0.02 . 1 . . . . 9 GLU HN . 6847 1 112 . 1 1 9 9 GLU HA H 1 3.867 0.02 . 1 . . . . 9 GLU HA . 6847 1 113 . 1 1 9 9 GLU HB2 H 1 1.965 0.02 . 2 . . . . 9 GLU HB1 . 6847 1 114 . 1 1 9 9 GLU HB3 H 1 1.852 0.02 . 2 . . . . 9 GLU HB2 . 6847 1 115 . 1 1 9 9 GLU HG2 H 1 2.254 0.02 . 2 . . . . 9 GLU HG1 . 6847 1 116 . 1 1 9 9 GLU HG3 H 1 2.337 0.02 . 2 . . . . 9 GLU HG2 . 6847 1 117 . 1 1 9 9 GLU C C 13 176.754 0.3 . 1 . . . . 9 GLU C . 6847 1 118 . 1 1 9 9 GLU CA C 13 57.480 0.3 . 1 . . . . 9 GLU CA . 6847 1 119 . 1 1 9 9 GLU CB C 13 30.000 0.3 . 1 . . . . 9 GLU CB . 6847 1 120 . 1 1 9 9 GLU CG C 13 36.290 0.3 . 1 . . . . 9 GLU CG . 6847 1 121 . 1 1 9 9 GLU N N 15 116.299 0.02 . 1 . . . . 9 GLU N . 6847 1 122 . 1 1 10 10 LEU H H 1 8.500 0.02 . 1 . . . . 10 LEU HN . 6847 1 123 . 1 1 10 10 LEU HA H 1 4.495 0.02 . 1 . . . . 10 LEU HA . 6847 1 124 . 1 1 10 10 LEU HB2 H 1 1.560 0.02 . 2 . . . . 10 LEU HB1 . 6847 1 125 . 1 1 10 10 LEU HB3 H 1 2.105 0.02 . 2 . . . . 10 LEU HB2 . 6847 1 126 . 1 1 10 10 LEU HG H 1 1.644 0.02 . 1 . . . . 10 LEU HG . 6847 1 127 . 1 1 10 10 LEU HD11 H 1 0.856 0.02 . 2 . . . . 10 LEU HD1 . 6847 1 128 . 1 1 10 10 LEU HD12 H 1 0.856 0.02 . 2 . . . . 10 LEU HD1 . 6847 1 129 . 1 1 10 10 LEU HD13 H 1 0.856 0.02 . 2 . . . . 10 LEU HD1 . 6847 1 130 . 1 1 10 10 LEU HD21 H 1 0.633 0.02 . 2 . . . . 10 LEU HD2 . 6847 1 131 . 1 1 10 10 LEU HD22 H 1 0.633 0.02 . 2 . . . . 10 LEU HD2 . 6847 1 132 . 1 1 10 10 LEU HD23 H 1 0.633 0.02 . 2 . . . . 10 LEU HD2 . 6847 1 133 . 1 1 10 10 LEU C C 13 175.443 0.3 . 1 . . . . 10 LEU C . 6847 1 134 . 1 1 10 10 LEU CA C 13 53.230 0.3 . 1 . . . . 10 LEU CA . 6847 1 135 . 1 1 10 10 LEU CB C 13 39.980 0.3 . 1 . . . . 10 LEU CB . 6847 1 136 . 1 1 10 10 LEU CG C 13 27.230 0.3 . 1 . . . . 10 LEU CG . 6847 1 137 . 1 1 10 10 LEU CD1 C 13 26.425 0.3 . 1 . . . . 10 LEU CD1 . 6847 1 138 . 1 1 10 10 LEU CD2 C 13 23.651 0.3 . 1 . . . . 10 LEU CD2 . 6847 1 139 . 1 1 10 10 LEU N N 15 125.671 0.02 . 1 . . . . 10 LEU N . 6847 1 140 . 1 1 11 11 THR H H 1 7.336 0.02 . 1 . . . . 11 THR HN . 6847 1 141 . 1 1 11 11 THR HA H 1 4.989 0.02 . 1 . . . . 11 THR HA . 6847 1 142 . 1 1 11 11 THR HB H 1 4.179 0.02 . 1 . . . . 11 THR HB . 6847 1 143 . 1 1 11 11 THR HG21 H 1 1.154 0.02 . 1 . . . . 11 THR HG2 . 6847 1 144 . 1 1 11 11 THR HG22 H 1 1.154 0.02 . 1 . . . . 11 THR HG2 . 6847 1 145 . 1 1 11 11 THR HG23 H 1 1.154 0.02 . 1 . . . . 11 THR HG2 . 6847 1 146 . 1 1 11 11 THR C C 13 173.513 0.3 . 1 . . . . 11 THR C . 6847 1 147 . 1 1 11 11 THR CA C 13 60.005 0.3 . 1 . . . . 11 THR CA . 6847 1 148 . 1 1 11 11 THR CB C 13 70.731 0.3 . 1 . . . . 11 THR CB . 6847 1 149 . 1 1 11 11 THR CG2 C 13 20.626 0.3 . 1 . . . . 11 THR CG2 . 6847 1 150 . 1 1 11 11 THR N N 15 116.049 0.02 . 1 . . . . 11 THR N . 6847 1 151 . 1 1 12 12 GLY H H 1 8.600 0.02 . 1 . . . . 12 GLY HN . 6847 1 152 . 1 1 12 12 GLY HA2 H 1 4.173 0.02 . 2 . . . . 12 GLY HA1 . 6847 1 153 . 1 1 12 12 GLY HA3 H 1 3.729 0.02 . 2 . . . . 12 GLY HA2 . 6847 1 154 . 1 1 12 12 GLY C C 13 174.335 0.3 . 1 . . . . 12 GLY C . 6847 1 155 . 1 1 12 12 GLY CA C 13 45.129 0.3 . 1 . . . . 12 GLY CA . 6847 1 156 . 1 1 12 12 GLY N N 15 110.871 0.02 . 1 . . . . 12 GLY N . 6847 1 157 . 1 1 13 13 GLU H H 1 7.807 0.02 . 1 . . . . 13 GLU HN . 6847 1 158 . 1 1 13 13 GLU HA H 1 4.110 0.02 . 1 . . . . 13 GLU HA . 6847 1 159 . 1 1 13 13 GLU HB2 H 1 1.970 0.02 . 2 . . . . 13 GLU HB1 . 6847 1 160 . 1 1 13 13 GLU C C 13 176.818 0.3 . 1 . . . . 13 GLU C . 6847 1 161 . 1 1 13 13 GLU CA C 13 56.312 0.3 . 1 . . . . 13 GLU CA . 6847 1 162 . 1 1 13 13 GLU CB C 13 29.767 0.3 . 1 . . . . 13 GLU CB . 6847 1 163 . 1 1 13 13 GLU CG C 13 36.500 0.3 . 1 . . . . 13 GLU CG . 6847 1 164 . 1 1 13 13 GLU N N 15 121.168 0.02 . 1 . . . . 13 GLU N . 6847 1 165 . 1 1 14 14 LYS H H 1 8.316 0.02 . 1 . . . . 14 LYS HN . 6847 1 166 . 1 1 14 14 LYS HA H 1 4.420 0.02 . 1 . . . . 14 LYS HA . 6847 1 167 . 1 1 14 14 LYS HB2 H 1 1.660 0.02 . 2 . . . . 14 LYS HB1 . 6847 1 168 . 1 1 14 14 LYS HB3 H 1 1.860 0.02 . 2 . . . . 14 LYS HB2 . 6847 1 169 . 1 1 14 14 LYS HG2 H 1 1.510 0.02 . 2 . . . . 14 LYS HG2 . 6847 1 170 . 1 1 14 14 LYS HE2 H 1 3.002 0.02 . 2 . . . . 14 LYS HE2 . 6847 1 171 . 1 1 14 14 LYS CA C 13 55.356 0.3 . 1 . . . . 14 LYS CA . 6847 1 172 . 1 1 14 14 LYS CB C 13 32.480 0.3 . 1 . . . . 14 LYS CB . 6847 1 173 . 1 1 14 14 LYS CG C 13 24.600 0.3 . 1 . . . . 14 LYS CG . 6847 1 174 . 1 1 14 14 LYS CD C 13 29.068 0.3 . 1 . . . . 14 LYS CD . 6847 1 175 . 1 1 14 14 LYS CE C 13 42.178 0.3 . 1 . . . . 14 LYS CE . 6847 1 176 . 1 1 14 14 LYS N N 15 120.749 0.02 . 1 . . . . 14 LYS N . 6847 1 177 . 1 1 15 15 ALA H H 1 7.196 0.02 . 1 . . . . 15 ALA HN . 6847 1 178 . 1 1 15 15 ALA HA H 1 4.367 0.02 . 1 . . . . 15 ALA HA . 6847 1 179 . 1 1 15 15 ALA HB1 H 1 1.138 0.02 . 1 . . . . 15 ALA HB . 6847 1 180 . 1 1 15 15 ALA HB2 H 1 1.138 0.02 . 1 . . . . 15 ALA HB . 6847 1 181 . 1 1 15 15 ALA HB3 H 1 1.138 0.02 . 1 . . . . 15 ALA HB . 6847 1 182 . 1 1 15 15 ALA CA C 13 51.730 0.3 . 1 . . . . 15 ALA CA . 6847 1 183 . 1 1 15 15 ALA CB C 13 21.522 0.3 . 1 . . . . 15 ALA CB . 6847 1 184 . 1 1 15 15 ALA N N 15 117.936 0.02 . 1 . . . . 15 ALA N . 6847 1 185 . 1 1 16 16 TRP H H 1 8.433 0.02 . 1 . . . . 16 TRP HN . 6847 1 186 . 1 1 16 16 TRP HA H 1 5.439 0.02 . 1 . . . . 16 TRP HA . 6847 1 187 . 1 1 16 16 TRP HB2 H 1 3.392 0.02 . 2 . . . . 16 TRP HB1 . 6847 1 188 . 1 1 16 16 TRP HB3 H 1 2.813 0.02 . 2 . . . . 16 TRP HB2 . 6847 1 189 . 1 1 16 16 TRP HD1 H 1 7.125 0.02 . 1 . . . . 16 TRP HD1 . 6847 1 190 . 1 1 16 16 TRP HE1 H 1 9.913 0.02 . 1 . . . . 16 TRP HE1 . 6847 1 191 . 1 1 16 16 TRP HE3 H 1 7.705 0.02 . 1 . . . . 16 TRP HE3 . 6847 1 192 . 1 1 16 16 TRP HZ2 H 1 7.729 0.02 . 1 . . . . 16 TRP HZ2 . 6847 1 193 . 1 1 16 16 TRP C C 13 177.348 0.3 . 1 . . . . 16 TRP C . 6847 1 194 . 1 1 16 16 TRP CA C 13 56.730 0.3 . 1 . . . . 16 TRP CA . 6847 1 195 . 1 1 16 16 TRP CB C 13 31.730 0.3 . 1 . . . . 16 TRP CB . 6847 1 196 . 1 1 16 16 TRP N N 15 120.280 0.02 . 1 . . . . 16 TRP N . 6847 1 197 . 1 1 16 16 TRP NE1 N 15 129.422 0.02 . 1 . . . . 16 TRP NE1 . 6847 1 198 . 1 1 17 17 LEU H H 1 9.545 0.02 . 1 . . . . 17 LEU HN . 6847 1 199 . 1 1 17 17 LEU HA H 1 4.840 0.02 . 1 . . . . 17 LEU HA . 6847 1 200 . 1 1 17 17 LEU HB2 H 1 1.780 0.02 . 2 . . . . 17 LEU HB1 . 6847 1 201 . 1 1 17 17 LEU HB3 H 1 1.546 0.02 . 2 . . . . 17 LEU HB2 . 6847 1 202 . 1 1 17 17 LEU HG H 1 1.552 0.02 . 1 . . . . 17 LEU HG . 6847 1 203 . 1 1 17 17 LEU HD11 H 1 0.765 0.02 . 2 . . . . 17 LEU HD1 . 6847 1 204 . 1 1 17 17 LEU HD12 H 1 0.765 0.02 . 2 . . . . 17 LEU HD1 . 6847 1 205 . 1 1 17 17 LEU HD13 H 1 0.765 0.02 . 2 . . . . 17 LEU HD1 . 6847 1 206 . 1 1 17 17 LEU HD21 H 1 0.906 0.02 . 2 . . . . 17 LEU HD2 . 6847 1 207 . 1 1 17 17 LEU HD22 H 1 0.906 0.02 . 2 . . . . 17 LEU HD2 . 6847 1 208 . 1 1 17 17 LEU HD23 H 1 0.906 0.02 . 2 . . . . 17 LEU HD2 . 6847 1 209 . 1 1 17 17 LEU C C 13 177.348 0.3 . 1 . . . . 17 LEU C . 6847 1 210 . 1 1 17 17 LEU CA C 13 53.360 0.3 . 1 . . . . 17 LEU CA . 6847 1 211 . 1 1 17 17 LEU CB C 13 43.980 0.3 . 1 . . . . 17 LEU CB . 6847 1 212 . 1 1 17 17 LEU CG C 13 27.064 0.3 . 1 . . . . 17 LEU CG . 6847 1 213 . 1 1 17 17 LEU CD1 C 13 25.479 0.3 . 1 . . . . 17 LEU CD1 . 6847 1 214 . 1 1 17 17 LEU CD2 C 13 22.946 0.3 . 1 . . . . 17 LEU CD2 . 6847 1 215 . 1 1 17 17 LEU N N 15 122.862 0.02 . 1 . . . . 17 LEU N . 6847 1 216 . 1 1 18 18 ASN H H 1 8.957 0.02 . 1 . . . . 18 ASN HN . 6847 1 217 . 1 1 18 18 ASN HA H 1 4.246 0.02 . 1 . . . . 18 ASN HA . 6847 1 218 . 1 1 18 18 ASN HB2 H 1 3.480 0.02 . 2 . . . . 18 ASN HB1 . 6847 1 219 . 1 1 18 18 ASN HB3 H 1 2.807 0.02 . 2 . . . . 18 ASN HB2 . 6847 1 220 . 1 1 18 18 ASN HD21 H 1 7.590 0.02 . 2 . . . . 18 ASN HD21 . 6847 1 221 . 1 1 18 18 ASN HD22 H 1 6.404 0.02 . 2 . . . . 18 ASN HD22 . 6847 1 222 . 1 1 18 18 ASN C C 13 174.780 0.3 . 1 . . . . 18 ASN C . 6847 1 223 . 1 1 18 18 ASN CA C 13 54.980 0.3 . 1 . . . . 18 ASN CA . 6847 1 224 . 1 1 18 18 ASN CB C 13 36.729 0.3 . 1 . . . . 18 ASN CB . 6847 1 225 . 1 1 18 18 ASN N N 15 114.890 0.02 . 1 . . . . 18 ASN N . 6847 1 226 . 1 1 18 18 ASN ND2 N 15 115.128 0.02 . 1 . . . . 18 ASN ND2 . 6847 1 227 . 1 1 19 19 GLY H H 1 8.145 0.02 . 1 . . . . 19 GLY HN . 6847 1 228 . 1 1 19 19 GLY HA2 H 1 4.116 0.02 . 2 . . . . 19 GLY HA1 . 6847 1 229 . 1 1 19 19 GLY HA3 H 1 3.500 0.02 . 2 . . . . 19 GLY HA2 . 6847 1 230 . 1 1 19 19 GLY C C 13 169.623 0.3 . 1 . . . . 19 GLY C . 6847 1 231 . 1 1 19 19 GLY CA C 13 44.480 0.3 . 1 . . . . 19 GLY CA . 6847 1 232 . 1 1 19 19 GLY N N 15 109.477 0.02 . 1 . . . . 19 GLY N . 6847 1 233 . 1 1 20 20 GLU H H 1 7.395 0.02 . 1 . . . . 20 GLU HN . 6847 1 234 . 1 1 20 20 GLU HA H 1 2.758 0.02 . 1 . . . . 20 GLU HA . 6847 1 235 . 1 1 20 20 GLU HB2 H 1 1.133 0.02 . 2 . . . . 20 GLU HB1 . 6847 1 236 . 1 1 20 20 GLU HB3 H 1 1.070 0.02 . 2 . . . . 20 GLU HB2 . 6847 1 237 . 1 1 20 20 GLU HG2 H 1 1.633 0.02 . 2 . . . . 20 GLU HG1 . 6847 1 238 . 1 1 20 20 GLU HG3 H 1 1.491 0.02 . 2 . . . . 20 GLU HG2 . 6847 1 239 . 1 1 20 20 GLU C C 13 175.429 0.3 . 1 . . . . 20 GLU C . 6847 1 240 . 1 1 20 20 GLU CA C 13 54.980 0.3 . 1 . . . . 20 GLU CA . 6847 1 241 . 1 1 20 20 GLU CB C 13 30.980 0.3 . 1 . . . . 20 GLU CB . 6847 1 242 . 1 1 20 20 GLU CG C 13 35.011 0.3 . 1 . . . . 20 GLU CG . 6847 1 243 . 1 1 20 20 GLU N N 15 116.299 0.02 . 1 . . . . 20 GLU N . 6847 1 244 . 1 1 21 21 VAL H H 1 4.897 0.02 . 1 . . . . 21 VAL HN . 6847 1 245 . 1 1 21 21 VAL HA H 1 4.477 0.02 . 1 . . . . 21 VAL HA . 6847 1 246 . 1 1 21 21 VAL HB H 1 1.645 0.02 . 1 . . . . 21 VAL HB . 6847 1 247 . 1 1 21 21 VAL HG11 H 1 0.719 0.02 . 2 . . . . 21 VAL HG1 . 6847 1 248 . 1 1 21 21 VAL HG12 H 1 0.719 0.02 . 2 . . . . 21 VAL HG1 . 6847 1 249 . 1 1 21 21 VAL HG13 H 1 0.719 0.02 . 2 . . . . 21 VAL HG1 . 6847 1 250 . 1 1 21 21 VAL HG21 H 1 0.664 0.02 . 2 . . . . 21 VAL HG2 . 6847 1 251 . 1 1 21 21 VAL HG22 H 1 0.664 0.02 . 2 . . . . 21 VAL HG2 . 6847 1 252 . 1 1 21 21 VAL HG23 H 1 0.664 0.02 . 2 . . . . 21 VAL HG2 . 6847 1 253 . 1 1 21 21 VAL CA C 13 59.341 0.3 . 1 . . . . 21 VAL CA . 6847 1 254 . 1 1 21 21 VAL CB C 13 35.432 0.3 . 1 . . . . 21 VAL CB . 6847 1 255 . 1 1 21 21 VAL CG1 C 13 21.618 0.3 . 1 . . . . 21 VAL CG1 . 6847 1 256 . 1 1 21 21 VAL CG2 C 13 20.820 0.3 . 1 . . . . 21 VAL CG2 . 6847 1 257 . 1 1 22 22 THR H H 1 7.500 0.02 . 1 . . . . 22 THR HN . 6847 1 258 . 1 1 22 22 THR HA H 1 4.778 0.02 . 1 . . . . 22 THR HA . 6847 1 259 . 1 1 22 22 THR HB H 1 4.607 0.02 . 1 . . . . 22 THR HB . 6847 1 260 . 1 1 22 22 THR HG21 H 1 1.180 0.02 . 1 . . . . 22 THR HG2 . 6847 1 261 . 1 1 22 22 THR HG22 H 1 1.180 0.02 . 1 . . . . 22 THR HG2 . 6847 1 262 . 1 1 22 22 THR HG23 H 1 1.180 0.02 . 1 . . . . 22 THR HG2 . 6847 1 263 . 1 1 22 22 THR C C 13 174.996 0.3 . 1 . . . . 22 THR C . 6847 1 264 . 1 1 22 22 THR CA C 13 59.050 0.3 . 1 . . . . 22 THR CA . 6847 1 265 . 1 1 22 22 THR CB C 13 71.981 0.3 . 1 . . . . 22 THR CB . 6847 1 266 . 1 1 22 22 THR CG2 C 13 21.689 0.3 . 1 . . . . 22 THR CG2 . 6847 1 267 . 1 1 22 22 THR N N 15 111.650 0.02 . 1 . . . . 22 THR N . 6847 1 268 . 1 1 23 23 ARG H H 1 9.265 0.02 . 1 . . . . 23 ARG HN . 6847 1 269 . 1 1 23 23 ARG HA H 1 3.851 0.02 . 1 . . . . 23 ARG HA . 6847 1 270 . 1 1 23 23 ARG HB2 H 1 1.796 0.02 . 2 . . . . 23 ARG HB2 . 6847 1 271 . 1 1 23 23 ARG HG2 H 1 1.703 0.02 . 2 . . . . 23 ARG HG1 . 6847 1 272 . 1 1 23 23 ARG HG3 H 1 1.469 0.02 . 2 . . . . 23 ARG HG2 . 6847 1 273 . 1 1 23 23 ARG HD2 H 1 3.185 0.02 . 2 . . . . 23 ARG HD2 . 6847 1 274 . 1 1 23 23 ARG C C 13 177.658 0.3 . 1 . . . . 23 ARG C . 6847 1 275 . 1 1 23 23 ARG CA C 13 60.135 0.3 . 1 . . . . 23 ARG CA . 6847 1 276 . 1 1 23 23 ARG CB C 13 30.510 0.3 . 1 . . . . 23 ARG CB . 6847 1 277 . 1 1 23 23 ARG CG C 13 27.158 0.3 . 1 . . . . 23 ARG CG . 6847 1 278 . 1 1 23 23 ARG CD C 13 43.455 0.3 . 1 . . . . 23 ARG CD . 6847 1 279 . 1 1 23 23 ARG N N 15 122.545 0.02 . 1 . . . . 23 ARG N . 6847 1 280 . 1 1 24 24 GLU H H 1 8.330 0.02 . 1 . . . . 24 GLU HN . 6847 1 281 . 1 1 24 24 GLU HA H 1 3.905 0.02 . 1 . . . . 24 GLU HA . 6847 1 282 . 1 1 24 24 GLU HB2 H 1 2.029 0.02 . 2 . . . . 24 GLU HB1 . 6847 1 283 . 1 1 24 24 GLU HB3 H 1 1.950 0.02 . 2 . . . . 24 GLU HB2 . 6847 1 284 . 1 1 24 24 GLU HG2 H 1 2.374 0.02 . 2 . . . . 24 GLU HG1 . 6847 1 285 . 1 1 24 24 GLU HG3 H 1 2.249 0.02 . 2 . . . . 24 GLU HG2 . 6847 1 286 . 1 1 24 24 GLU C C 13 178.515 0.3 . 1 . . . . 24 GLU C . 6847 1 287 . 1 1 24 24 GLU CA C 13 59.730 0.3 . 1 . . . . 24 GLU CA . 6847 1 288 . 1 1 24 24 GLU CB C 13 29.229 0.3 . 1 . . . . 24 GLU CB . 6847 1 289 . 1 1 24 24 GLU CG C 13 37.230 0.3 . 1 . . . . 24 GLU CG . 6847 1 290 . 1 1 24 24 GLU N N 15 115.819 0.02 . 1 . . . . 24 GLU N . 6847 1 291 . 1 1 25 25 GLN H H 1 7.475 0.02 . 1 . . . . 25 GLN HN . 6847 1 292 . 1 1 25 25 GLN HA H 1 4.155 0.02 . 1 . . . . 25 GLN HA . 6847 1 293 . 1 1 25 25 GLN HB2 H 1 2.231 0.02 . 2 . . . . 25 GLN HB1 . 6847 1 294 . 1 1 25 25 GLN HB3 H 1 2.022 0.02 . 2 . . . . 25 GLN HB2 . 6847 1 295 . 1 1 25 25 GLN HG2 H 1 2.347 0.02 . 2 . . . . 25 GLN HG1 . 6847 1 296 . 1 1 25 25 GLN HG3 H 1 2.405 0.02 . 2 . . . . 25 GLN HG2 . 6847 1 297 . 1 1 25 25 GLN HE21 H 1 6.813 0.02 . 2 . . . . 25 GLN HE21 . 6847 1 298 . 1 1 25 25 GLN HE22 H 1 7.425 0.02 . 2 . . . . 25 GLN HE22 . 6847 1 299 . 1 1 25 25 GLN C C 13 177.516 0.3 . 1 . . . . 25 GLN C . 6847 1 300 . 1 1 25 25 GLN CA C 13 57.230 0.3 . 1 . . . . 25 GLN CA . 6847 1 301 . 1 1 25 25 GLN CB C 13 29.480 0.3 . 1 . . . . 25 GLN CB . 6847 1 302 . 1 1 25 25 GLN CG C 13 34.103 0.3 . 1 . . . . 25 GLN CG . 6847 1 303 . 1 1 25 25 GLN N N 15 116.670 0.02 . 1 . . . . 25 GLN N . 6847 1 304 . 1 1 25 25 GLN NE2 N 15 111.607 0.02 . 1 . . . . 25 GLN NE2 . 6847 1 305 . 1 1 26 26 LEU H H 1 7.650 0.02 . 1 . . . . 26 LEU HN . 6847 1 306 . 1 1 26 26 LEU HA H 1 4.156 0.02 . 1 . . . . 26 LEU HA . 6847 1 307 . 1 1 26 26 LEU HB2 H 1 1.719 0.02 . 2 . . . . 26 LEU HB2 . 6847 1 308 . 1 1 26 26 LEU HG H 1 1.787 0.02 . 1 . . . . 26 LEU HG . 6847 1 309 . 1 1 26 26 LEU HD11 H 1 0.667 0.02 . 2 . . . . 26 LEU HD1 . 6847 1 310 . 1 1 26 26 LEU HD12 H 1 0.667 0.02 . 2 . . . . 26 LEU HD1 . 6847 1 311 . 1 1 26 26 LEU HD13 H 1 0.667 0.02 . 2 . . . . 26 LEU HD1 . 6847 1 312 . 1 1 26 26 LEU HD21 H 1 0.738 0.02 . 2 . . . . 26 LEU HD2 . 6847 1 313 . 1 1 26 26 LEU HD22 H 1 0.738 0.02 . 2 . . . . 26 LEU HD2 . 6847 1 314 . 1 1 26 26 LEU HD23 H 1 0.738 0.02 . 2 . . . . 26 LEU HD2 . 6847 1 315 . 1 1 26 26 LEU C C 13 178.729 0.3 . 1 . . . . 26 LEU C . 6847 1 316 . 1 1 26 26 LEU CA C 13 55.490 0.3 . 1 . . . . 26 LEU CA . 6847 1 317 . 1 1 26 26 LEU CB C 13 42.230 0.3 . 1 . . . . 26 LEU CB . 6847 1 318 . 1 1 26 26 LEU CG C 13 25.979 0.3 . 1 . . . . 26 LEU CG . 6847 1 319 . 1 1 26 26 LEU CD1 C 13 21.980 0.3 . 1 . . . . 26 LEU CD1 . 6847 1 320 . 1 1 26 26 LEU CD2 C 13 26.729 0.3 . 1 . . . . 26 LEU CD2 . 6847 1 321 . 1 1 26 26 LEU N N 15 120.005 0.02 . 1 . . . . 26 LEU N . 6847 1 322 . 1 1 27 27 ILE H H 1 7.298 0.02 . 1 . . . . 27 ILE HN . 6847 1 323 . 1 1 27 27 ILE HA H 1 4.294 0.02 . 1 . . . . 27 ILE HA . 6847 1 324 . 1 1 27 27 ILE HB H 1 1.703 0.02 . 1 . . . . 27 ILE HB . 6847 1 325 . 1 1 27 27 ILE HG12 H 1 1.057 0.02 . 1 . . . . 27 ILE HG11 . 6847 1 326 . 1 1 27 27 ILE HG13 H 1 1.420 0.02 . 1 . . . . 27 ILE HG12 . 6847 1 327 . 1 1 27 27 ILE HG21 H 1 0.806 0.02 . 1 . . . . 27 ILE HG2 . 6847 1 328 . 1 1 27 27 ILE HG22 H 1 0.806 0.02 . 1 . . . . 27 ILE HG2 . 6847 1 329 . 1 1 27 27 ILE HG23 H 1 0.806 0.02 . 1 . . . . 27 ILE HG2 . 6847 1 330 . 1 1 27 27 ILE HD11 H 1 0.718 0.02 . 1 . . . . 27 ILE HD1 . 6847 1 331 . 1 1 27 27 ILE HD12 H 1 0.718 0.02 . 1 . . . . 27 ILE HD1 . 6847 1 332 . 1 1 27 27 ILE HD13 H 1 0.718 0.02 . 1 . . . . 27 ILE HD1 . 6847 1 333 . 1 1 27 27 ILE C C 13 176.496 0.3 . 1 . . . . 27 ILE C . 6847 1 334 . 1 1 27 27 ILE CA C 13 60.730 0.3 . 1 . . . . 27 ILE CA . 6847 1 335 . 1 1 27 27 ILE CB C 13 39.980 0.3 . 1 . . . . 27 ILE CB . 6847 1 336 . 1 1 27 27 ILE CG1 C 13 27.000 0.3 . 1 . . . . 27 ILE CG1 . 6847 1 337 . 1 1 27 27 ILE CG2 C 13 16.990 0.3 . 1 . . . . 27 ILE CG2 . 6847 1 338 . 1 1 27 27 ILE CD1 C 13 13.479 0.3 . 1 . . . . 27 ILE CD1 . 6847 1 339 . 1 1 27 27 ILE N N 15 118.820 0.02 . 1 . . . . 27 ILE N . 6847 1 340 . 1 1 28 28 GLY H H 1 8.777 0.02 . 1 . . . . 28 GLY HN . 6847 1 341 . 1 1 28 28 GLY HA2 H 1 4.582 0.02 . 2 . . . . 28 GLY HA1 . 6847 1 342 . 1 1 28 28 GLY HA3 H 1 3.508 0.02 . 2 . . . . 28 GLY HA2 . 6847 1 343 . 1 1 28 28 GLY C C 13 174.756 0.3 . 1 . . . . 28 GLY C . 6847 1 344 . 1 1 28 28 GLY CA C 13 45.730 0.3 . 1 . . . . 28 GLY CA . 6847 1 345 . 1 1 28 28 GLY N N 15 112.805 0.02 . 1 . . . . 28 GLY N . 6847 1 346 . 1 1 29 29 GLU H H 1 8.800 0.02 . 1 . . . . 29 GLU HN . 6847 1 347 . 1 1 29 29 GLU HA H 1 4.556 0.02 . 1 . . . . 29 GLU HA . 6847 1 348 . 1 1 29 29 GLU HB2 H 1 1.890 0.02 . 2 . . . . 29 GLU HB1 . 6847 1 349 . 1 1 29 29 GLU HB3 H 1 2.062 0.02 . 2 . . . . 29 GLU HB2 . 6847 1 350 . 1 1 29 29 GLU HG2 H 1 2.294 0.02 . 2 . . . . 29 GLU HG1 . 6847 1 351 . 1 1 29 29 GLU HG3 H 1 2.177 0.02 . 2 . . . . 29 GLU HG2 . 6847 1 352 . 1 1 29 29 GLU C C 13 175.405 0.3 . 1 . . . . 29 GLU C . 6847 1 353 . 1 1 29 29 GLU CA C 13 57.880 0.3 . 1 . . . . 29 GLU CA . 6847 1 354 . 1 1 29 29 GLU CB C 13 33.480 0.3 . 1 . . . . 29 GLU CB . 6847 1 355 . 1 1 29 29 GLU CG C 13 36.480 0.3 . 1 . . . . 29 GLU CG . 6847 1 356 . 1 1 29 29 GLU N N 15 120.986 0.02 . 1 . . . . 29 GLU N . 6847 1 357 . 1 1 30 30 LYS H H 1 9.420 0.02 . 1 . . . . 30 LYS HN . 6847 1 358 . 1 1 30 30 LYS HA H 1 4.900 0.02 . 1 . . . . 30 LYS HA . 6847 1 359 . 1 1 30 30 LYS HB2 H 1 1.653 0.02 . 2 . . . . 30 LYS HB1 . 6847 1 360 . 1 1 30 30 LYS HB3 H 1 1.925 0.02 . 2 . . . . 30 LYS HB2 . 6847 1 361 . 1 1 30 30 LYS HG2 H 1 1.329 0.02 . 2 . . . . 30 LYS HG2 . 6847 1 362 . 1 1 30 30 LYS HD2 H 1 1.345 0.02 . 2 . . . . 30 LYS HD1 . 6847 1 363 . 1 1 30 30 LYS HD3 H 1 1.417 0.02 . 2 . . . . 30 LYS HD2 . 6847 1 364 . 1 1 30 30 LYS HE2 H 1 3.022 0.02 . 2 . . . . 30 LYS HE1 . 6847 1 365 . 1 1 30 30 LYS HE3 H 1 2.927 0.02 . 2 . . . . 30 LYS HE2 . 6847 1 366 . 1 1 30 30 LYS C C 13 172.859 0.3 . 1 . . . . 30 LYS C . 6847 1 367 . 1 1 30 30 LYS CA C 13 53.900 0.3 . 1 . . . . 30 LYS CA . 6847 1 368 . 1 1 30 30 LYS CB C 13 35.230 0.3 . 1 . . . . 30 LYS CB . 6847 1 369 . 1 1 30 30 LYS CG C 13 24.673 0.3 . 1 . . . . 30 LYS CG . 6847 1 370 . 1 1 30 30 LYS CD C 13 29.527 0.3 . 1 . . . . 30 LYS CD . 6847 1 371 . 1 1 30 30 LYS CE C 13 42.137 0.3 . 1 . . . . 30 LYS CE . 6847 1 372 . 1 1 30 30 LYS N N 15 122.626 0.02 . 1 . . . . 30 LYS N . 6847 1 373 . 1 1 31 31 PRO HA H 1 4.464 0.02 . 1 . . . . 31 PRO HA . 6847 1 374 . 1 1 31 31 PRO HB2 H 1 2.483 0.02 . 2 . . . . 31 PRO HB1 . 6847 1 375 . 1 1 31 31 PRO HB3 H 1 1.915 0.02 . 2 . . . . 31 PRO HB2 . 6847 1 376 . 1 1 31 31 PRO HG2 H 1 1.897 0.02 . 2 . . . . 31 PRO HG1 . 6847 1 377 . 1 1 31 31 PRO HD2 H 1 3.818 0.02 . 2 . . . . 31 PRO HD1 . 6847 1 378 . 1 1 31 31 PRO HD3 H 1 4.248 0.02 . 2 . . . . 31 PRO HD2 . 6847 1 379 . 1 1 31 31 PRO C C 13 174.692 0.3 . 1 . . . . 31 PRO C . 6847 1 380 . 1 1 31 31 PRO CA C 13 62.481 0.3 . 1 . . . . 31 PRO CA . 6847 1 381 . 1 1 31 31 PRO CB C 13 33.440 0.3 . 1 . . . . 31 PRO CB . 6847 1 382 . 1 1 31 31 PRO CG C 13 27.546 0.3 . 1 . . . . 31 PRO CG . 6847 1 383 . 1 1 31 31 PRO CD C 13 50.308 0.3 . 1 . . . . 31 PRO CD . 6847 1 384 . 1 1 32 32 THR H H 1 8.600 0.02 . 1 . . . . 32 THR HN . 6847 1 385 . 1 1 32 32 THR HA H 1 5.251 0.02 . 1 . . . . 32 THR HA . 6847 1 386 . 1 1 32 32 THR HB H 1 3.851 0.02 . 1 . . . . 32 THR HB . 6847 1 387 . 1 1 32 32 THR HG1 H 1 6.156 0.02 . 1 . . . . 32 THR HG1 . 6847 1 388 . 1 1 32 32 THR HG21 H 1 1.175 0.02 . 1 . . . . 32 THR HG2 . 6847 1 389 . 1 1 32 32 THR HG22 H 1 1.175 0.02 . 1 . . . . 32 THR HG2 . 6847 1 390 . 1 1 32 32 THR HG23 H 1 1.175 0.02 . 1 . . . . 32 THR HG2 . 6847 1 391 . 1 1 32 32 THR C C 13 172.842 0.3 . 1 . . . . 32 THR C . 6847 1 392 . 1 1 32 32 THR CA C 13 62.231 0.3 . 1 . . . . 32 THR CA . 6847 1 393 . 1 1 32 32 THR CB C 13 72.890 0.3 . 1 . . . . 32 THR CB . 6847 1 394 . 1 1 32 32 THR CG2 C 13 22.480 0.3 . 1 . . . . 32 THR CG2 . 6847 1 395 . 1 1 32 32 THR N N 15 114.418 0.02 . 1 . . . . 32 THR N . 6847 1 396 . 1 1 33 33 LEU H H 1 9.581 0.02 . 1 . . . . 33 LEU HN . 6847 1 397 . 1 1 33 33 LEU HA H 1 5.625 0.02 . 1 . . . . 33 LEU HA . 6847 1 398 . 1 1 33 33 LEU HB2 H 1 1.337 0.02 . 2 . . . . 33 LEU HB1 . 6847 1 399 . 1 1 33 33 LEU HB3 H 1 2.251 0.02 . 2 . . . . 33 LEU HB2 . 6847 1 400 . 1 1 33 33 LEU HG H 1 1.786 0.02 . 1 . . . . 33 LEU HG . 6847 1 401 . 1 1 33 33 LEU HD11 H 1 0.935 0.02 . 2 . . . . 33 LEU HD1 . 6847 1 402 . 1 1 33 33 LEU HD12 H 1 0.935 0.02 . 2 . . . . 33 LEU HD1 . 6847 1 403 . 1 1 33 33 LEU HD13 H 1 0.935 0.02 . 2 . . . . 33 LEU HD1 . 6847 1 404 . 1 1 33 33 LEU HD21 H 1 1.083 0.02 . 2 . . . . 33 LEU HD2 . 6847 1 405 . 1 1 33 33 LEU HD22 H 1 1.083 0.02 . 2 . . . . 33 LEU HD2 . 6847 1 406 . 1 1 33 33 LEU HD23 H 1 1.083 0.02 . 2 . . . . 33 LEU HD2 . 6847 1 407 . 1 1 33 33 LEU C C 13 174.336 0.3 . 1 . . . . 33 LEU C . 6847 1 408 . 1 1 33 33 LEU CA C 13 53.480 0.3 . 1 . . . . 33 LEU CA . 6847 1 409 . 1 1 33 33 LEU CB C 13 45.230 0.3 . 1 . . . . 33 LEU CB . 6847 1 410 . 1 1 33 33 LEU CG C 13 28.392 0.3 . 1 . . . . 33 LEU CG . 6847 1 411 . 1 1 33 33 LEU CD1 C 13 26.001 0.3 . 1 . . . . 33 LEU CD1 . 6847 1 412 . 1 1 33 33 LEU CD2 C 13 24.938 0.3 . 1 . . . . 33 LEU CD2 . 6847 1 413 . 1 1 33 33 LEU N N 15 130.111 0.02 . 1 . . . . 33 LEU N . 6847 1 414 . 1 1 34 34 ILE H H 1 9.785 0.02 . 1 . . . . 34 ILE HN . 6847 1 415 . 1 1 34 34 ILE HA H 1 5.642 0.02 . 1 . . . . 34 ILE HA . 6847 1 416 . 1 1 34 34 ILE HB H 1 2.127 0.02 . 1 . . . . 34 ILE HB . 6847 1 417 . 1 1 34 34 ILE HG12 H 1 1.905 0.02 . 1 . . . . 34 ILE HG11 . 6847 1 418 . 1 1 34 34 ILE HG13 H 1 1.145 0.02 . 1 . . . . 34 ILE HG12 . 6847 1 419 . 1 1 34 34 ILE HG21 H 1 0.500 0.02 . 1 . . . . 34 ILE HG2 . 6847 1 420 . 1 1 34 34 ILE HG22 H 1 0.500 0.02 . 1 . . . . 34 ILE HG2 . 6847 1 421 . 1 1 34 34 ILE HG23 H 1 0.500 0.02 . 1 . . . . 34 ILE HG2 . 6847 1 422 . 1 1 34 34 ILE HD11 H 1 0.850 0.02 . 1 . . . . 34 ILE HD1 . 6847 1 423 . 1 1 34 34 ILE HD12 H 1 0.850 0.02 . 1 . . . . 34 ILE HD1 . 6847 1 424 . 1 1 34 34 ILE HD13 H 1 0.850 0.02 . 1 . . . . 34 ILE HD1 . 6847 1 425 . 1 1 34 34 ILE C C 13 175.429 0.3 . 1 . . . . 34 ILE C . 6847 1 426 . 1 1 34 34 ILE CA C 13 60.138 0.3 . 1 . . . . 34 ILE CA . 6847 1 427 . 1 1 34 34 ILE CB C 13 39.730 0.3 . 1 . . . . 34 ILE CB . 6847 1 428 . 1 1 34 34 ILE CG1 C 13 28.923 0.3 . 1 . . . . 34 ILE CG1 . 6847 1 429 . 1 1 34 34 ILE CG2 C 13 17.500 0.3 . 1 . . . . 34 ILE CG2 . 6847 1 430 . 1 1 34 34 ILE CD1 C 13 12.500 0.3 . 1 . . . . 34 ILE CD1 . 6847 1 431 . 1 1 34 34 ILE N N 15 128.840 0.02 . 1 . . . . 34 ILE N . 6847 1 432 . 1 1 35 35 HIS H H 1 9.030 0.02 . 1 . . . . 35 HIS HN . 6847 1 433 . 1 1 35 35 HIS HA H 1 6.248 0.02 . 1 . . . . 35 HIS HA . 6847 1 434 . 1 1 35 35 HIS HB2 H 1 3.502 0.02 . 2 . . . . 35 HIS HB1 . 6847 1 435 . 1 1 35 35 HIS HB3 H 1 2.986 0.02 . 2 . . . . 35 HIS HB2 . 6847 1 436 . 1 1 35 35 HIS HD2 H 1 6.742 0.02 . 1 . . . . 35 HIS HD2 . 6847 1 437 . 1 1 35 35 HIS C C 13 172.905 0.3 . 1 . . . . 35 HIS C . 6847 1 438 . 1 1 35 35 HIS CA C 13 52.434 0.3 . 1 . . . . 35 HIS CA . 6847 1 439 . 1 1 35 35 HIS CB C 13 32.377 0.3 . 1 . . . . 35 HIS CB . 6847 1 440 . 1 1 35 35 HIS N N 15 125.521 0.02 . 1 . . . . 35 HIS N . 6847 1 441 . 1 1 36 36 PHE H H 1 9.544 0.02 . 1 . . . . 36 PHE HN . 6847 1 442 . 1 1 36 36 PHE HA H 1 5.545 0.02 . 1 . . . . 36 PHE HA . 6847 1 443 . 1 1 36 36 PHE HB2 H 1 2.683 0.02 . 2 . . . . 36 PHE HB1 . 6847 1 444 . 1 1 36 36 PHE HB3 H 1 3.100 0.02 . 2 . . . . 36 PHE HB2 . 6847 1 445 . 1 1 36 36 PHE HD1 H 1 6.876 0.02 . 3 . . . . 36 PHE HD1 . 6847 1 446 . 1 1 36 36 PHE HE1 H 1 6.733 0.02 . 3 . . . . 36 PHE HE1 . 6847 1 447 . 1 1 36 36 PHE C C 13 175.485 0.3 . 1 . . . . 36 PHE C . 6847 1 448 . 1 1 36 36 PHE CA C 13 56.480 0.3 . 1 . . . . 36 PHE CA . 6847 1 449 . 1 1 36 36 PHE CB C 13 42.510 0.3 . 1 . . . . 36 PHE CB . 6847 1 450 . 1 1 36 36 PHE N N 15 124.802 0.02 . 1 . . . . 36 PHE N . 6847 1 451 . 1 1 37 37 TRP H H 1 9.466 0.02 . 1 . . . . 37 TRP HN . 6847 1 452 . 1 1 37 37 TRP HA H 1 5.063 0.02 . 1 . . . . 37 TRP HA . 6847 1 453 . 1 1 37 37 TRP HB2 H 1 2.871 0.02 . 2 . . . . 37 TRP HB1 . 6847 1 454 . 1 1 37 37 TRP HB3 H 1 3.775 0.02 . 2 . . . . 37 TRP HB2 . 6847 1 455 . 1 1 37 37 TRP HD1 H 1 6.935 0.02 . 1 . . . . 37 TRP HD1 . 6847 1 456 . 1 1 37 37 TRP HE1 H 1 7.444 0.02 . 1 . . . . 37 TRP HE1 . 6847 1 457 . 1 1 37 37 TRP HZ2 H 1 7.123 0.02 . 1 . . . . 37 TRP HZ2 . 6847 1 458 . 1 1 37 37 TRP C C 13 172.825 0.3 . 1 . . . . 37 TRP C . 6847 1 459 . 1 1 37 37 TRP CA C 13 55.230 0.3 . 1 . . . . 37 TRP CA . 6847 1 460 . 1 1 37 37 TRP CB C 13 31.230 0.3 . 1 . . . . 37 TRP CB . 6847 1 461 . 1 1 37 37 TRP N N 15 122.159 0.02 . 1 . . . . 37 TRP N . 6847 1 462 . 1 1 37 37 TRP NE1 N 15 122.393 0.02 . 1 . . . . 37 TRP NE1 . 6847 1 463 . 1 1 38 38 SER H H 1 6.659 0.02 . 1 . . . . 38 SER HN . 6847 1 464 . 1 1 38 38 SER HA H 1 4.092 0.02 . 1 . . . . 38 SER HA . 6847 1 465 . 1 1 38 38 SER HB2 H 1 3.624 0.02 . 2 . . . . 38 SER HB1 . 6847 1 466 . 1 1 38 38 SER HB3 H 1 3.415 0.02 . 2 . . . . 38 SER HB2 . 6847 1 467 . 1 1 38 38 SER C C 13 176.888 0.3 . 1 . . . . 38 SER C . 6847 1 468 . 1 1 38 38 SER CA C 13 56.730 0.3 . 1 . . . . 38 SER CA . 6847 1 469 . 1 1 38 38 SER CB C 13 66.230 0.3 . 1 . . . . 38 SER CB . 6847 1 470 . 1 1 38 38 SER N N 15 111.143 0.02 . 1 . . . . 38 SER N . 6847 1 471 . 1 1 39 39 ILE H H 1 10.904 0.02 . 1 . . . . 39 ILE HN . 6847 1 472 . 1 1 39 39 ILE HA H 1 4.119 0.02 . 1 . . . . 39 ILE HA . 6847 1 473 . 1 1 39 39 ILE HB H 1 2.147 0.02 . 1 . . . . 39 ILE HB . 6847 1 474 . 1 1 39 39 ILE HG12 H 1 1.308 0.02 . 1 . . . . 39 ILE HG11 . 6847 1 475 . 1 1 39 39 ILE HG13 H 1 1.548 0.02 . 1 . . . . 39 ILE HG12 . 6847 1 476 . 1 1 39 39 ILE HG21 H 1 1.076 0.02 . 1 . . . . 39 ILE HG2 . 6847 1 477 . 1 1 39 39 ILE HG22 H 1 1.076 0.02 . 1 . . . . 39 ILE HG2 . 6847 1 478 . 1 1 39 39 ILE HG23 H 1 1.076 0.02 . 1 . . . . 39 ILE HG2 . 6847 1 479 . 1 1 39 39 ILE HD11 H 1 0.803 0.02 . 1 . . . . 39 ILE HD1 . 6847 1 480 . 1 1 39 39 ILE HD12 H 1 0.803 0.02 . 1 . . . . 39 ILE HD1 . 6847 1 481 . 1 1 39 39 ILE HD13 H 1 0.803 0.02 . 1 . . . . 39 ILE HD1 . 6847 1 482 . 1 1 39 39 ILE C C 13 180.613 0.3 . 1 . . . . 39 ILE C . 6847 1 483 . 1 1 39 39 ILE CA C 13 65.980 0.3 . 1 . . . . 39 ILE CA . 6847 1 484 . 1 1 39 39 ILE CB C 13 38.730 0.3 . 1 . . . . 39 ILE CB . 6847 1 485 . 1 1 39 39 ILE CG1 C 13 25.729 0.3 . 1 . . . . 39 ILE CG1 . 6847 1 486 . 1 1 39 39 ILE CG2 C 13 19.979 0.3 . 1 . . . . 39 ILE CG2 . 6847 1 487 . 1 1 39 39 ILE CD1 C 13 15.047 0.3 . 1 . . . . 39 ILE CD1 . 6847 1 488 . 1 1 39 39 ILE N N 15 126.143 0.02 . 1 . . . . 39 ILE N . 6847 1 489 . 1 1 40 40 SER H H 1 7.454 0.02 . 1 . . . . 40 SER HN . 6847 1 490 . 1 1 40 40 SER HA H 1 4.608 0.02 . 1 . . . . 40 SER HA . 6847 1 491 . 1 1 40 40 SER HB2 H 1 4.113 0.02 . 2 . . . . 40 SER HB2 . 6847 1 492 . 1 1 40 40 SER C C 13 174.366 0.3 . 1 . . . . 40 SER C . 6847 1 493 . 1 1 40 40 SER CA C 13 57.110 0.3 . 1 . . . . 40 SER CA . 6847 1 494 . 1 1 40 40 SER CB C 13 62.230 0.3 . 1 . . . . 40 SER CB . 6847 1 495 . 1 1 40 40 SER N N 15 112.784 0.02 . 1 . . . . 40 SER N . 6847 1 496 . 1 1 41 41 CYS HA H 1 4.698 0.02 . 1 . . . . 41 CYS HA . 6847 1 497 . 1 1 41 41 CYS HB2 H 1 2.571 0.02 . 2 . . . . 41 CYS HB1 . 6847 1 498 . 1 1 41 41 CYS HB3 H 1 3.082 0.02 . 2 . . . . 41 CYS HB2 . 6847 1 499 . 1 1 41 41 CYS C C 13 176.818 0.3 . 1 . . . . 41 CYS C . 6847 1 500 . 1 1 41 41 CYS CA C 13 60.000 0.3 . 1 . . . . 41 CYS CA . 6847 1 501 . 1 1 41 41 CYS CB C 13 31.846 0.3 . 1 . . . . 41 CYS CB . 6847 1 502 . 1 1 42 42 HIS HA H 1 4.360 0.02 . 1 . . . . 42 HIS HA . 6847 1 503 . 1 1 42 42 HIS HB2 H 1 3.305 0.02 . 2 . . . . 42 HIS HB1 . 6847 1 504 . 1 1 42 42 HIS HB3 H 1 3.182 0.02 . 2 . . . . 42 HIS HB2 . 6847 1 505 . 1 1 42 42 HIS C C 13 177.600 0.3 . 1 . . . . 42 HIS C . 6847 1 506 . 1 1 42 42 HIS CA C 13 60.980 0.3 . 1 . . . . 42 HIS CA . 6847 1 507 . 1 1 42 42 HIS CB C 13 30.730 0.3 . 1 . . . . 42 HIS CB . 6847 1 508 . 1 1 43 43 LEU H H 1 8.172 0.02 . 1 . . . . 43 LEU HN . 6847 1 509 . 1 1 43 43 LEU HA H 1 4.050 0.02 . 1 . . . . 43 LEU HA . 6847 1 510 . 1 1 43 43 LEU HB2 H 1 1.780 0.02 . 2 . . . . 43 LEU HB1 . 6847 1 511 . 1 1 43 43 LEU HB3 H 1 1.483 0.02 . 2 . . . . 43 LEU HB2 . 6847 1 512 . 1 1 43 43 LEU HG H 1 1.387 0.02 . 1 . . . . 43 LEU HG . 6847 1 513 . 1 1 43 43 LEU HD11 H 1 0.840 0.02 . 2 . . . . 43 LEU HD1 . 6847 1 514 . 1 1 43 43 LEU HD12 H 1 0.840 0.02 . 2 . . . . 43 LEU HD1 . 6847 1 515 . 1 1 43 43 LEU HD13 H 1 0.840 0.02 . 2 . . . . 43 LEU HD1 . 6847 1 516 . 1 1 43 43 LEU HD21 H 1 0.958 0.02 . 2 . . . . 43 LEU HD2 . 6847 1 517 . 1 1 43 43 LEU HD22 H 1 0.958 0.02 . 2 . . . . 43 LEU HD2 . 6847 1 518 . 1 1 43 43 LEU HD23 H 1 0.958 0.02 . 2 . . . . 43 LEU HD2 . 6847 1 519 . 1 1 43 43 LEU C C 13 181.408 0.3 . 1 . . . . 43 LEU C . 6847 1 520 . 1 1 43 43 LEU CA C 13 57.480 0.3 . 1 . . . . 43 LEU CA . 6847 1 521 . 1 1 43 43 LEU CB C 13 41.730 0.3 . 1 . . . . 43 LEU CB . 6847 1 522 . 1 1 43 43 LEU CG C 13 26.850 0.3 . 1 . . . . 43 LEU CG . 6847 1 523 . 1 1 43 43 LEU CD1 C 13 23.479 0.3 . 1 . . . . 43 LEU CD1 . 6847 1 524 . 1 1 43 43 LEU CD2 C 13 23.480 0.3 . 1 . . . . 43 LEU CD2 . 6847 1 525 . 1 1 44 44 CYS H H 1 8.568 0.02 . 1 . . . . 44 CYS HN . 6847 1 526 . 1 1 44 44 CYS HA H 1 4.386 0.02 . 1 . . . . 44 CYS HA . 6847 1 527 . 1 1 44 44 CYS HB2 H 1 4.401 0.02 . 2 . . . . 44 CYS HB1 . 6847 1 528 . 1 1 44 44 CYS HB3 H 1 2.894 0.02 . 2 . . . . 44 CYS HB2 . 6847 1 529 . 1 1 44 44 CYS C C 13 177.571 0.3 . 1 . . . . 44 CYS C . 6847 1 530 . 1 1 44 44 CYS CA C 13 63.857 0.3 . 1 . . . . 44 CYS CA . 6847 1 531 . 1 1 44 44 CYS CB C 13 33.729 0.3 . 1 . . . . 44 CYS CB . 6847 1 532 . 1 1 44 44 CYS N N 15 113.018 0.02 . 1 . . . . 44 CYS N . 6847 1 533 . 1 1 45 45 LYS H H 1 7.429 0.02 . 1 . . . . 45 LYS HN . 6847 1 534 . 1 1 45 45 LYS HA H 1 3.536 0.02 . 1 . . . . 45 LYS HA . 6847 1 535 . 1 1 45 45 LYS HB2 H 1 1.947 0.02 . 2 . . . . 45 LYS HB2 . 6847 1 536 . 1 1 45 45 LYS HG2 H 1 1.551 0.02 . 2 . . . . 45 LYS HG2 . 6847 1 537 . 1 1 45 45 LYS HD2 H 1 1.687 0.02 . 2 . . . . 45 LYS HD1 . 6847 1 538 . 1 1 45 45 LYS HD3 H 1 1.742 0.02 . 2 . . . . 45 LYS HD2 . 6847 1 539 . 1 1 45 45 LYS HE2 H 1 2.927 0.02 . 2 . . . . 45 LYS HE1 . 6847 1 540 . 1 1 45 45 LYS HE3 H 1 2.995 0.02 . 2 . . . . 45 LYS HE2 . 6847 1 541 . 1 1 45 45 LYS C C 13 178.570 0.3 . 1 . . . . 45 LYS C . 6847 1 542 . 1 1 45 45 LYS CA C 13 60.230 0.3 . 1 . . . . 45 LYS CA . 6847 1 543 . 1 1 45 45 LYS CB C 13 32.244 0.3 . 1 . . . . 45 LYS CB . 6847 1 544 . 1 1 45 45 LYS CG C 13 24.862 0.3 . 1 . . . . 45 LYS CG . 6847 1 545 . 1 1 45 45 LYS CD C 13 29.125 0.3 . 1 . . . . 45 LYS CD . 6847 1 546 . 1 1 45 45 LYS CE C 13 42.061 0.3 . 1 . . . . 45 LYS CE . 6847 1 547 . 1 1 45 45 LYS N N 15 120.986 0.02 . 1 . . . . 45 LYS N . 6847 1 548 . 1 1 46 46 GLU H H 1 8.164 0.02 . 1 . . . . 46 GLU HN . 6847 1 549 . 1 1 46 46 GLU HA H 1 3.990 0.02 . 1 . . . . 46 GLU HA . 6847 1 550 . 1 1 46 46 GLU HB2 H 1 2.063 0.02 . 2 . . . . 46 GLU HB1 . 6847 1 551 . 1 1 46 46 GLU HB3 H 1 1.984 0.02 . 2 . . . . 46 GLU HB2 . 6847 1 552 . 1 1 46 46 GLU HG2 H 1 2.262 0.02 . 2 . . . . 46 GLU HG1 . 6847 1 553 . 1 1 46 46 GLU HG3 H 1 2.147 0.02 . 2 . . . . 46 GLU HG2 . 6847 1 554 . 1 1 46 46 GLU C C 13 178.114 0.3 . 1 . . . . 46 GLU C . 6847 1 555 . 1 1 46 46 GLU CA C 13 59.200 0.3 . 1 . . . . 46 GLU CA . 6847 1 556 . 1 1 46 46 GLU CB C 13 29.980 0.3 . 1 . . . . 46 GLU CB . 6847 1 557 . 1 1 46 46 GLU CG C 13 36.480 0.3 . 1 . . . . 46 GLU CG . 6847 1 558 . 1 1 46 46 GLU N N 15 120.283 0.02 . 1 . . . . 46 GLU N . 6847 1 559 . 1 1 47 47 ALA H H 1 7.180 0.02 . 1 . . . . 47 ALA HN . 6847 1 560 . 1 1 47 47 ALA HA H 1 4.562 0.02 . 1 . . . . 47 ALA HA . 6847 1 561 . 1 1 47 47 ALA HB1 H 1 1.542 0.02 . 1 . . . . 47 ALA HB . 6847 1 562 . 1 1 47 47 ALA HB2 H 1 1.542 0.02 . 1 . . . . 47 ALA HB . 6847 1 563 . 1 1 47 47 ALA HB3 H 1 1.542 0.02 . 1 . . . . 47 ALA HB . 6847 1 564 . 1 1 47 47 ALA C C 13 176.818 0.3 . 1 . . . . 47 ALA C . 6847 1 565 . 1 1 47 47 ALA CA C 13 52.230 0.3 . 1 . . . . 47 ALA CA . 6847 1 566 . 1 1 47 47 ALA CB C 13 19.979 0.3 . 1 . . . . 47 ALA CB . 6847 1 567 . 1 1 47 47 ALA N N 15 117.471 0.02 . 1 . . . . 47 ALA N . 6847 1 568 . 1 1 48 48 MET H H 1 7.268 0.02 . 1 . . . . 48 MET HN . 6847 1 569 . 1 1 48 48 MET HA H 1 4.413 0.02 . 1 . . . . 48 MET HA . 6847 1 570 . 1 1 48 48 MET HB2 H 1 2.357 0.02 . 2 . . . . 48 MET HB1 . 6847 1 571 . 1 1 48 48 MET HB3 H 1 2.230 0.02 . 2 . . . . 48 MET HB2 . 6847 1 572 . 1 1 48 48 MET HG2 H 1 2.436 0.02 . 2 . . . . 48 MET HG1 . 6847 1 573 . 1 1 48 48 MET HG3 H 1 2.530 0.02 . 2 . . . . 48 MET HG2 . 6847 1 574 . 1 1 48 48 MET HE1 H 1 1.416 0.02 . 1 . . . . 48 MET HE . 6847 1 575 . 1 1 48 48 MET HE2 H 1 1.416 0.02 . 1 . . . . 48 MET HE . 6847 1 576 . 1 1 48 48 MET HE3 H 1 1.416 0.02 . 1 . . . . 48 MET HE . 6847 1 577 . 1 1 48 48 MET C C 13 175.452 0.3 . 1 . . . . 48 MET C . 6847 1 578 . 1 1 48 48 MET CA C 13 57.230 0.3 . 1 . . . . 48 MET CA . 6847 1 579 . 1 1 48 48 MET CB C 13 27.729 0.3 . 1 . . . . 48 MET CB . 6847 1 580 . 1 1 48 48 MET CG C 13 32.553 0.3 . 1 . . . . 48 MET CG . 6847 1 581 . 1 1 48 48 MET CE C 13 14.479 0.3 . 1 . . . . 48 MET CE . 6847 1 582 . 1 1 48 48 MET N N 15 121.221 0.02 . 1 . . . . 48 MET N . 6847 1 583 . 1 1 49 49 PRO HA H 1 4.218 0.02 . 1 . . . . 49 PRO HA . 6847 1 584 . 1 1 49 49 PRO HB2 H 1 2.350 0.02 . 2 . . . . 49 PRO HB1 . 6847 1 585 . 1 1 49 49 PRO HB3 H 1 1.771 0.02 . 2 . . . . 49 PRO HB2 . 6847 1 586 . 1 1 49 49 PRO HG2 H 1 2.006 0.02 . 2 . . . . 49 PRO HG1 . 6847 1 587 . 1 1 49 49 PRO HG3 H 1 2.170 0.02 . 2 . . . . 49 PRO HG2 . 6847 1 588 . 1 1 49 49 PRO HD2 H 1 3.586 0.02 . 2 . . . . 49 PRO HD1 . 6847 1 589 . 1 1 49 49 PRO HD3 H 1 3.818 0.02 . 2 . . . . 49 PRO HD2 . 6847 1 590 . 1 1 49 49 PRO C C 13 179.975 0.3 . 1 . . . . 49 PRO C . 6847 1 591 . 1 1 49 49 PRO CA C 13 66.481 0.3 . 1 . . . . 49 PRO CA . 6847 1 592 . 1 1 49 49 PRO CB C 13 31.000 0.3 . 1 . . . . 49 PRO CB . 6847 1 593 . 1 1 49 49 PRO CG C 13 28.513 0.3 . 1 . . . . 49 PRO CG . 6847 1 594 . 1 1 49 49 PRO CD C 13 50.786 0.3 . 1 . . . . 49 PRO CD . 6847 1 595 . 1 1 50 50 GLN H H 1 7.390 0.02 . 1 . . . . 50 GLN HN . 6847 1 596 . 1 1 50 50 GLN HA H 1 3.962 0.02 . 1 . . . . 50 GLN HA . 6847 1 597 . 1 1 50 50 GLN HB2 H 1 2.189 0.02 . 2 . . . . 50 GLN HB1 . 6847 1 598 . 1 1 50 50 GLN HB3 H 1 1.797 0.02 . 2 . . . . 50 GLN HB2 . 6847 1 599 . 1 1 50 50 GLN HG2 H 1 2.225 0.02 . 2 . . . . 50 GLN HG1 . 6847 1 600 . 1 1 50 50 GLN HG3 H 1 2.188 0.02 . 2 . . . . 50 GLN HG2 . 6847 1 601 . 1 1 50 50 GLN HE21 H 1 7.415 0.02 . 2 . . . . 50 GLN HE21 . 6847 1 602 . 1 1 50 50 GLN HE22 H 1 6.807 0.02 . 2 . . . . 50 GLN HE22 . 6847 1 603 . 1 1 50 50 GLN C C 13 178.580 0.3 . 1 . . . . 50 GLN C . 6847 1 604 . 1 1 50 50 GLN CA C 13 58.980 0.3 . 1 . . . . 50 GLN CA . 6847 1 605 . 1 1 50 50 GLN CB C 13 29.230 0.3 . 1 . . . . 50 GLN CB . 6847 1 606 . 1 1 50 50 GLN CG C 13 35.730 0.3 . 1 . . . . 50 GLN CG . 6847 1 607 . 1 1 50 50 GLN N N 15 116.065 0.02 . 1 . . . . 50 GLN N . 6847 1 608 . 1 1 50 50 GLN NE2 N 15 113.482 0.02 . 1 . . . . 50 GLN NE2 . 6847 1 609 . 1 1 51 51 VAL H H 1 7.462 0.02 . 1 . . . . 51 VAL HN . 6847 1 610 . 1 1 51 51 VAL HA H 1 3.198 0.02 . 1 . . . . 51 VAL HA . 6847 1 611 . 1 1 51 51 VAL HB H 1 1.997 0.02 . 1 . . . . 51 VAL HB . 6847 1 612 . 1 1 51 51 VAL HG11 H 1 0.118 0.02 . 2 . . . . 51 VAL HG1 . 6847 1 613 . 1 1 51 51 VAL HG12 H 1 0.118 0.02 . 2 . . . . 51 VAL HG1 . 6847 1 614 . 1 1 51 51 VAL HG13 H 1 0.118 0.02 . 2 . . . . 51 VAL HG1 . 6847 1 615 . 1 1 51 51 VAL HG21 H 1 0.840 0.02 . 2 . . . . 51 VAL HG2 . 6847 1 616 . 1 1 51 51 VAL HG22 H 1 0.840 0.02 . 2 . . . . 51 VAL HG2 . 6847 1 617 . 1 1 51 51 VAL HG23 H 1 0.840 0.02 . 2 . . . . 51 VAL HG2 . 6847 1 618 . 1 1 51 51 VAL C C 13 177.939 0.3 . 1 . . . . 51 VAL C . 6847 1 619 . 1 1 51 51 VAL CA C 13 66.647 0.3 . 1 . . . . 51 VAL CA . 6847 1 620 . 1 1 51 51 VAL CB C 13 30.980 0.3 . 1 . . . . 51 VAL CB . 6847 1 621 . 1 1 51 51 VAL CG1 C 13 19.797 0.3 . 1 . . . . 51 VAL CG1 . 6847 1 622 . 1 1 51 51 VAL CG2 C 13 23.547 0.3 . 1 . . . . 51 VAL CG2 . 6847 1 623 . 1 1 51 51 VAL N N 15 122.862 0.02 . 1 . . . . 51 VAL N . 6847 1 624 . 1 1 52 52 ASN H H 1 8.541 0.02 . 1 . . . . 52 ASN HN . 6847 1 625 . 1 1 52 52 ASN HA H 1 4.187 0.02 . 1 . . . . 52 ASN HA . 6847 1 626 . 1 1 52 52 ASN HB2 H 1 2.733 0.02 . 2 . . . . 52 ASN HB2 . 6847 1 627 . 1 1 52 52 ASN HD21 H 1 7.080 0.02 . 2 . . . . 52 ASN HD21 . 6847 1 628 . 1 1 52 52 ASN HD22 H 1 5.572 0.02 . 2 . . . . 52 ASN HD22 . 6847 1 629 . 1 1 52 52 ASN C C 13 177.519 0.3 . 1 . . . . 52 ASN C . 6847 1 630 . 1 1 52 52 ASN CA C 13 55.230 0.3 . 1 . . . . 52 ASN CA . 6847 1 631 . 1 1 52 52 ASN CB C 13 37.000 0.3 . 1 . . . . 52 ASN CB . 6847 1 632 . 1 1 52 52 ASN N N 15 119.581 0.02 . 1 . . . . 52 ASN N . 6847 1 633 . 1 1 52 52 ASN ND2 N 15 107.159 0.02 . 1 . . . . 52 ASN ND2 . 6847 1 634 . 1 1 53 53 GLU H H 1 7.598 0.02 . 1 . . . . 53 GLU HN . 6847 1 635 . 1 1 53 53 GLU HA H 1 4.093 0.02 . 1 . . . . 53 GLU HA . 6847 1 636 . 1 1 53 53 GLU HB2 H 1 2.048 0.02 . 2 . . . . 53 GLU HB1 . 6847 1 637 . 1 1 53 53 GLU HB3 H 1 1.920 0.02 . 2 . . . . 53 GLU HB2 . 6847 1 638 . 1 1 53 53 GLU HG2 H 1 2.104 0.02 . 2 . . . . 53 GLU HG1 . 6847 1 639 . 1 1 53 53 GLU HG3 H 1 2.370 0.02 . 2 . . . . 53 GLU HG2 . 6847 1 640 . 1 1 53 53 GLU CA C 13 59.230 0.3 . 1 . . . . 53 GLU CA . 6847 1 641 . 1 1 53 53 GLU CB C 13 29.230 0.3 . 1 . . . . 53 GLU CB . 6847 1 642 . 1 1 53 53 GLU CG C 13 36.479 0.3 . 1 . . . . 53 GLU CG . 6847 1 643 . 1 1 53 53 GLU N N 15 121.924 0.02 . 1 . . . . 53 GLU N . 6847 1 644 . 1 1 54 54 PHE H H 1 7.571 0.02 . 1 . . . . 54 PHE HN . 6847 1 645 . 1 1 54 54 PHE HA H 1 4.389 0.02 . 1 . . . . 54 PHE HA . 6847 1 646 . 1 1 54 54 PHE HB2 H 1 3.341 0.02 . 2 . . . . 54 PHE HB1 . 6847 1 647 . 1 1 54 54 PHE HB3 H 1 3.104 0.02 . 2 . . . . 54 PHE HB2 . 6847 1 648 . 1 1 54 54 PHE HD1 H 1 7.061 0.02 . 3 . . . . 54 PHE HD1 . 6847 1 649 . 1 1 54 54 PHE HE1 H 1 6.979 0.02 . 3 . . . . 54 PHE HE1 . 6847 1 650 . 1 1 54 54 PHE CA C 13 59.730 0.3 . 1 . . . . 54 PHE CA . 6847 1 651 . 1 1 54 54 PHE CB C 13 37.730 0.3 . 1 . . . . 54 PHE CB . 6847 1 652 . 1 1 54 54 PHE N N 15 120.284 0.02 . 1 . . . . 54 PHE N . 6847 1 653 . 1 1 55 55 ARG H H 1 8.118 0.02 . 1 . . . . 55 ARG HN . 6847 1 654 . 1 1 55 55 ARG HA H 1 3.899 0.02 . 1 . . . . 55 ARG HA . 6847 1 655 . 1 1 55 55 ARG HB2 H 1 2.627 0.02 . 2 . . . . 55 ARG HB1 . 6847 1 656 . 1 1 55 55 ARG HB3 H 1 1.636 0.02 . 2 . . . . 55 ARG HB2 . 6847 1 657 . 1 1 55 55 ARG HG2 H 1 2.068 0.02 . 2 . . . . 55 ARG HG1 . 6847 1 658 . 1 1 55 55 ARG HG3 H 1 1.688 0.02 . 2 . . . . 55 ARG HG2 . 6847 1 659 . 1 1 55 55 ARG HE H 1 6.847 0.02 . 1 . . . . 55 ARG HE . 6847 1 660 . 1 1 55 55 ARG C C 13 178.018 0.3 . 1 . . . . 55 ARG C . 6847 1 661 . 1 1 55 55 ARG CA C 13 58.500 0.3 . 1 . . . . 55 ARG CA . 6847 1 662 . 1 1 55 55 ARG CB C 13 30.330 0.3 . 1 . . . . 55 ARG CB . 6847 1 663 . 1 1 55 55 ARG CG C 13 25.795 0.3 . 1 . . . . 55 ARG CG . 6847 1 664 . 1 1 55 55 ARG CD C 13 43.754 0.3 . 1 . . . . 55 ARG CD . 6847 1 665 . 1 1 55 55 ARG N N 15 119.112 0.02 . 1 . . . . 55 ARG N . 6847 1 666 . 1 1 55 55 ARG NE N 15 114.659 0.02 . 1 . . . . 55 ARG NE . 6847 1 667 . 1 1 56 56 ASP H H 1 7.981 0.02 . 1 . . . . 56 ASP HN . 6847 1 668 . 1 1 56 56 ASP HA H 1 4.538 0.02 . 1 . . . . 56 ASP HA . 6847 1 669 . 1 1 56 56 ASP HB2 H 1 2.630 0.02 . 2 . . . . 56 ASP HB1 . 6847 1 670 . 1 1 56 56 ASP HB3 H 1 2.702 0.02 . 2 . . . . 56 ASP HB2 . 6847 1 671 . 1 1 56 56 ASP C C 13 179.051 0.3 . 1 . . . . 56 ASP C . 6847 1 672 . 1 1 56 56 ASP CA C 13 56.735 0.3 . 1 . . . . 56 ASP CA . 6847 1 673 . 1 1 56 56 ASP CB C 13 39.948 0.3 . 1 . . . . 56 ASP CB . 6847 1 674 . 1 1 56 56 ASP N N 15 117.237 0.02 . 1 . . . . 56 ASP N . 6847 1 675 . 1 1 57 57 LYS H H 1 8.744 0.02 . 1 . . . . 57 LYS HN . 6847 1 676 . 1 1 57 57 LYS HA H 1 3.930 0.02 . 1 . . . . 57 LYS HA . 6847 1 677 . 1 1 57 57 LYS HB2 H 1 1.654 0.02 . 2 . . . . 57 LYS HB1 . 6847 1 678 . 1 1 57 57 LYS HB3 H 1 1.327 0.02 . 2 . . . . 57 LYS HB2 . 6847 1 679 . 1 1 57 57 LYS HG2 H 1 0.990 0.02 . 2 . . . . 57 LYS HG1 . 6847 1 680 . 1 1 57 57 LYS HG3 H 1 0.675 0.02 . 2 . . . . 57 LYS HG2 . 6847 1 681 . 1 1 57 57 LYS HD2 H 1 1.368 0.02 . 2 . . . . 57 LYS HD1 . 6847 1 682 . 1 1 57 57 LYS HD3 H 1 1.435 0.02 . 2 . . . . 57 LYS HD2 . 6847 1 683 . 1 1 57 57 LYS HE2 H 1 2.726 0.02 . 2 . . . . 57 LYS HE1 . 6847 1 684 . 1 1 57 57 LYS C C 13 178.249 0.3 . 1 . . . . 57 LYS C . 6847 1 685 . 1 1 57 57 LYS CA C 13 59.076 0.3 . 1 . . . . 57 LYS CA . 6847 1 686 . 1 1 57 57 LYS CB C 13 32.642 0.3 . 1 . . . . 57 LYS CB . 6847 1 687 . 1 1 57 57 LYS CG C 13 24.673 0.3 . 1 . . . . 57 LYS CG . 6847 1 688 . 1 1 57 57 LYS CD C 13 29.924 0.3 . 1 . . . . 57 LYS CD . 6847 1 689 . 1 1 57 57 LYS CE C 13 42.144 0.3 . 1 . . . . 57 LYS CE . 6847 1 690 . 1 1 57 57 LYS N N 15 123.077 0.02 . 1 . . . . 57 LYS N . 6847 1 691 . 1 1 58 58 TYR H H 1 7.602 0.02 . 1 . . . . 58 TYR HN . 6847 1 692 . 1 1 58 58 TYR HA H 1 4.985 0.02 . 1 . . . . 58 TYR HA . 6847 1 693 . 1 1 58 58 TYR HB2 H 1 3.212 0.02 . 2 . . . . 58 TYR HB1 . 6847 1 694 . 1 1 58 58 TYR HB3 H 1 2.692 0.02 . 2 . . . . 58 TYR HB2 . 6847 1 695 . 1 1 58 58 TYR HD1 H 1 6.936 0.02 . 3 . . . . 58 TYR HD1 . 6847 1 696 . 1 1 58 58 TYR HE1 H 1 6.579 0.02 . 3 . . . . 58 TYR HE1 . 6847 1 697 . 1 1 58 58 TYR C C 13 176.784 0.3 . 1 . . . . 58 TYR C . 6847 1 698 . 1 1 58 58 TYR CA C 13 56.230 0.3 . 1 . . . . 58 TYR CA . 6847 1 699 . 1 1 58 58 TYR CB C 13 38.000 0.3 . 1 . . . . 58 TYR CB . 6847 1 700 . 1 1 58 58 TYR N N 15 115.429 0.02 . 1 . . . . 58 TYR N . 6847 1 701 . 1 1 59 59 GLN H H 1 7.155 0.02 . 1 . . . . 59 GLN HN . 6847 1 702 . 1 1 59 59 GLN HA H 1 4.390 0.02 . 1 . . . . 59 GLN HA . 6847 1 703 . 1 1 59 59 GLN HB2 H 1 2.236 0.02 . 2 . . . . 59 GLN HB1 . 6847 1 704 . 1 1 59 59 GLN HB3 H 1 2.389 0.02 . 2 . . . . 59 GLN HB2 . 6847 1 705 . 1 1 59 59 GLN HG2 H 1 2.416 0.02 . 2 . . . . 59 GLN HG1 . 6847 1 706 . 1 1 59 59 GLN HG3 H 1 2.484 0.02 . 2 . . . . 59 GLN HG2 . 6847 1 707 . 1 1 59 59 GLN HE21 H 1 6.822 0.02 . 2 . . . . 59 GLN HE21 . 6847 1 708 . 1 1 59 59 GLN HE22 H 1 7.668 0.02 . 2 . . . . 59 GLN HE22 . 6847 1 709 . 1 1 59 59 GLN C C 13 176.567 0.3 . 1 . . . . 59 GLN C . 6847 1 710 . 1 1 59 59 GLN CA C 13 59.208 0.3 . 1 . . . . 59 GLN CA . 6847 1 711 . 1 1 59 59 GLN CB C 13 28.791 0.3 . 1 . . . . 59 GLN CB . 6847 1 712 . 1 1 59 59 GLN CG C 13 33.480 0.3 . 1 . . . . 59 GLN CG . 6847 1 713 . 1 1 59 59 GLN N N 15 122.200 0.02 . 1 . . . . 59 GLN N . 6847 1 714 . 1 1 59 59 GLN NE2 N 15 112.545 0.02 . 1 . . . . 59 GLN NE2 . 6847 1 715 . 1 1 60 60 ASP H H 1 8.792 0.02 . 1 . . . . 60 ASP HN . 6847 1 716 . 1 1 60 60 ASP HA H 1 4.642 0.02 . 1 . . . . 60 ASP HA . 6847 1 717 . 1 1 60 60 ASP HB2 H 1 2.777 0.02 . 2 . . . . 60 ASP HB1 . 6847 1 718 . 1 1 60 60 ASP HB3 H 1 2.825 0.02 . 2 . . . . 60 ASP HB2 . 6847 1 719 . 1 1 60 60 ASP C C 13 176.501 0.3 . 1 . . . . 60 ASP C . 6847 1 720 . 1 1 60 60 ASP CA C 13 55.887 0.3 . 1 . . . . 60 ASP CA . 6847 1 721 . 1 1 60 60 ASP CB C 13 40.745 0.3 . 1 . . . . 60 ASP CB . 6847 1 722 . 1 1 60 60 ASP N N 15 117.940 0.02 . 1 . . . . 60 ASP N . 6847 1 723 . 1 1 61 61 GLN H H 1 8.118 0.02 . 1 . . . . 61 GLN HN . 6847 1 724 . 1 1 61 61 GLN HA H 1 4.518 0.02 . 1 . . . . 61 GLN HA . 6847 1 725 . 1 1 61 61 GLN HB2 H 1 1.915 0.02 . 2 . . . . 61 GLN HB1 . 6847 1 726 . 1 1 61 61 GLN HB3 H 1 2.333 0.02 . 2 . . . . 61 GLN HB2 . 6847 1 727 . 1 1 61 61 GLN HG2 H 1 2.276 0.02 . 2 . . . . 61 GLN HG1 . 6847 1 728 . 1 1 61 61 GLN HG3 H 1 2.374 0.02 . 2 . . . . 61 GLN HG2 . 6847 1 729 . 1 1 61 61 GLN HE21 H 1 7.720 0.02 . 2 . . . . 61 GLN HE21 . 6847 1 730 . 1 1 61 61 GLN HE22 H 1 6.835 0.02 . 2 . . . . 61 GLN HE22 . 6847 1 731 . 1 1 61 61 GLN C C 13 173.708 0.3 . 1 . . . . 61 GLN C . 6847 1 732 . 1 1 61 61 GLN CA C 13 56.552 0.3 . 1 . . . . 61 GLN CA . 6847 1 733 . 1 1 61 61 GLN CB C 13 33.174 0.3 . 1 . . . . 61 GLN CB . 6847 1 734 . 1 1 61 61 GLN CG C 13 34.728 0.3 . 1 . . . . 61 GLN CG . 6847 1 735 . 1 1 61 61 GLN N N 15 117.257 0.02 . 1 . . . . 61 GLN N . 6847 1 736 . 1 1 61 61 GLN NE2 N 15 112.310 0.02 . 1 . . . . 61 GLN NE2 . 6847 1 737 . 1 1 62 62 LEU H H 1 7.788 0.02 . 1 . . . . 62 LEU HN . 6847 1 738 . 1 1 62 62 LEU HA H 1 4.706 0.02 . 1 . . . . 62 LEU HA . 6847 1 739 . 1 1 62 62 LEU HB2 H 1 1.915 0.02 . 2 . . . . 62 LEU HB1 . 6847 1 740 . 1 1 62 62 LEU HB3 H 1 1.103 0.02 . 2 . . . . 62 LEU HB2 . 6847 1 741 . 1 1 62 62 LEU HG H 1 1.580 0.02 . 1 . . . . 62 LEU HG . 6847 1 742 . 1 1 62 62 LEU HD11 H 1 0.758 0.02 . 2 . . . . 62 LEU HD1 . 6847 1 743 . 1 1 62 62 LEU HD12 H 1 0.758 0.02 . 2 . . . . 62 LEU HD1 . 6847 1 744 . 1 1 62 62 LEU HD13 H 1 0.758 0.02 . 2 . . . . 62 LEU HD1 . 6847 1 745 . 1 1 62 62 LEU HD21 H 1 0.690 0.02 . 2 . . . . 62 LEU HD2 . 6847 1 746 . 1 1 62 62 LEU HD22 H 1 0.690 0.02 . 2 . . . . 62 LEU HD2 . 6847 1 747 . 1 1 62 62 LEU HD23 H 1 0.690 0.02 . 2 . . . . 62 LEU HD2 . 6847 1 748 . 1 1 62 62 LEU C C 13 175.903 0.3 . 1 . . . . 62 LEU C . 6847 1 749 . 1 1 62 62 LEU CA C 13 53.720 0.3 . 1 . . . . 62 LEU CA . 6847 1 750 . 1 1 62 62 LEU CB C 13 47.980 0.3 . 1 . . . . 62 LEU CB . 6847 1 751 . 1 1 62 62 LEU CG C 13 26.400 0.3 . 1 . . . . 62 LEU CG . 6847 1 752 . 1 1 62 62 LEU CD1 C 13 23.230 0.3 . 1 . . . . 62 LEU CD1 . 6847 1 753 . 1 1 62 62 LEU CD2 C 13 26.798 0.3 . 1 . . . . 62 LEU CD2 . 6847 1 754 . 1 1 62 62 LEU N N 15 120.284 0.02 . 1 . . . . 62 LEU N . 6847 1 755 . 1 1 63 63 ASN H H 1 9.052 0.02 . 1 . . . . 63 ASN HN . 6847 1 756 . 1 1 63 63 ASN HA H 1 5.039 0.02 . 1 . . . . 63 ASN HA . 6847 1 757 . 1 1 63 63 ASN HB2 H 1 3.124 0.02 . 2 . . . . 63 ASN HB1 . 6847 1 758 . 1 1 63 63 ASN HB3 H 1 2.433 0.02 . 2 . . . . 63 ASN HB2 . 6847 1 759 . 1 1 63 63 ASN HD21 H 1 6.926 0.02 . 2 . . . . 63 ASN HD21 . 6847 1 760 . 1 1 63 63 ASN HD22 H 1 7.313 0.02 . 2 . . . . 63 ASN HD22 . 6847 1 761 . 1 1 63 63 ASN C C 13 174.735 0.3 . 1 . . . . 63 ASN C . 6847 1 762 . 1 1 63 63 ASN CA C 13 53.000 0.3 . 1 . . . . 63 ASN CA . 6847 1 763 . 1 1 63 63 ASN CB C 13 40.214 0.3 . 1 . . . . 63 ASN CB . 6847 1 764 . 1 1 63 63 ASN N N 15 124.737 0.02 . 1 . . . . 63 ASN N . 6847 1 765 . 1 1 63 63 ASN ND2 N 15 119.119 0.02 . 1 . . . . 63 ASN ND2 . 6847 1 766 . 1 1 64 64 VAL H H 1 8.604 0.02 . 1 . . . . 64 VAL HN . 6847 1 767 . 1 1 64 64 VAL HA H 1 5.380 0.02 . 1 . . . . 64 VAL HA . 6847 1 768 . 1 1 64 64 VAL HB H 1 2.011 0.02 . 1 . . . . 64 VAL HB . 6847 1 769 . 1 1 64 64 VAL HG11 H 1 1.013 0.02 . 2 . . . . 64 VAL HG1 . 6847 1 770 . 1 1 64 64 VAL HG12 H 1 1.013 0.02 . 2 . . . . 64 VAL HG1 . 6847 1 771 . 1 1 64 64 VAL HG13 H 1 1.013 0.02 . 2 . . . . 64 VAL HG1 . 6847 1 772 . 1 1 64 64 VAL HG21 H 1 1.150 0.02 . 2 . . . . 64 VAL HG2 . 6847 1 773 . 1 1 64 64 VAL HG22 H 1 1.150 0.02 . 2 . . . . 64 VAL HG2 . 6847 1 774 . 1 1 64 64 VAL HG23 H 1 1.150 0.02 . 2 . . . . 64 VAL HG2 . 6847 1 775 . 1 1 64 64 VAL C C 13 174.747 0.3 . 1 . . . . 64 VAL C . 6847 1 776 . 1 1 64 64 VAL CA C 13 62.263 0.3 . 1 . . . . 64 VAL CA . 6847 1 777 . 1 1 64 64 VAL CB C 13 34.635 0.3 . 1 . . . . 64 VAL CB . 6847 1 778 . 1 1 64 64 VAL CG1 C 13 22.230 0.3 . 1 . . . . 64 VAL CG1 . 6847 1 779 . 1 1 64 64 VAL CG2 C 13 22.979 0.3 . 1 . . . . 64 VAL CG2 . 6847 1 780 . 1 1 64 64 VAL N N 15 123.511 0.02 . 1 . . . . 64 VAL N . 6847 1 781 . 1 1 65 65 VAL H H 1 8.990 0.02 . 1 . . . . 65 VAL HN . 6847 1 782 . 1 1 65 65 VAL HA H 1 4.396 0.02 . 1 . . . . 65 VAL HA . 6847 1 783 . 1 1 65 65 VAL HB H 1 1.900 0.02 . 1 . . . . 65 VAL HB . 6847 1 784 . 1 1 65 65 VAL HG11 H 1 0.901 0.02 . 2 . . . . 65 VAL HG1 . 6847 1 785 . 1 1 65 65 VAL HG12 H 1 0.901 0.02 . 2 . . . . 65 VAL HG1 . 6847 1 786 . 1 1 65 65 VAL HG13 H 1 0.901 0.02 . 2 . . . . 65 VAL HG1 . 6847 1 787 . 1 1 65 65 VAL HG21 H 1 0.951 0.02 . 2 . . . . 65 VAL HG2 . 6847 1 788 . 1 1 65 65 VAL HG22 H 1 0.951 0.02 . 2 . . . . 65 VAL HG2 . 6847 1 789 . 1 1 65 65 VAL HG23 H 1 0.951 0.02 . 2 . . . . 65 VAL HG2 . 6847 1 790 . 1 1 65 65 VAL C C 13 172.900 0.3 . 1 . . . . 65 VAL C . 6847 1 791 . 1 1 65 65 VAL CA C 13 61.732 0.3 . 1 . . . . 65 VAL CA . 6847 1 792 . 1 1 65 65 VAL CB C 13 36.480 0.3 . 1 . . . . 65 VAL CB . 6847 1 793 . 1 1 65 65 VAL CG1 C 13 22.282 0.3 . 1 . . . . 65 VAL CG1 . 6847 1 794 . 1 1 65 65 VAL CG2 C 13 20.479 0.3 . 1 . . . . 65 VAL CG2 . 6847 1 795 . 1 1 65 65 VAL N N 15 127.426 0.02 . 1 . . . . 65 VAL N . 6847 1 796 . 1 1 66 66 ALA H H 1 8.981 0.02 . 1 . . . . 66 ALA HN . 6847 1 797 . 1 1 66 66 ALA HA H 1 4.370 0.02 . 1 . . . . 66 ALA HA . 6847 1 798 . 1 1 66 66 ALA HB1 H 1 1.215 0.02 . 1 . . . . 66 ALA HB . 6847 1 799 . 1 1 66 66 ALA HB2 H 1 1.215 0.02 . 1 . . . . 66 ALA HB . 6847 1 800 . 1 1 66 66 ALA HB3 H 1 1.215 0.02 . 1 . . . . 66 ALA HB . 6847 1 801 . 1 1 66 66 ALA C C 13 176.573 0.3 . 1 . . . . 66 ALA C . 6847 1 802 . 1 1 66 66 ALA CA C 13 49.600 0.3 . 1 . . . . 66 ALA CA . 6847 1 803 . 1 1 66 66 ALA CB C 13 22.282 0.3 . 1 . . . . 66 ALA CB . 6847 1 804 . 1 1 66 66 ALA N N 15 129.166 0.02 . 1 . . . . 66 ALA N . 6847 1 805 . 1 1 67 67 VAL H H 1 8.785 0.02 . 1 . . . . 67 VAL HN . 6847 1 806 . 1 1 67 67 VAL HA H 1 4.573 0.02 . 1 . . . . 67 VAL HA . 6847 1 807 . 1 1 67 67 VAL HB H 1 0.350 0.02 . 1 . . . . 67 VAL HB . 6847 1 808 . 1 1 67 67 VAL HG11 H 1 -0.230 0.02 . 2 . . . . 67 VAL HG1 . 6847 1 809 . 1 1 67 67 VAL HG12 H 1 -0.230 0.02 . 2 . . . . 67 VAL HG1 . 6847 1 810 . 1 1 67 67 VAL HG13 H 1 -0.230 0.02 . 2 . . . . 67 VAL HG1 . 6847 1 811 . 1 1 67 67 VAL HG21 H 1 0.205 0.02 . 2 . . . . 67 VAL HG2 . 6847 1 812 . 1 1 67 67 VAL HG22 H 1 0.205 0.02 . 2 . . . . 67 VAL HG2 . 6847 1 813 . 1 1 67 67 VAL HG23 H 1 0.205 0.02 . 2 . . . . 67 VAL HG2 . 6847 1 814 . 1 1 67 67 VAL C C 13 175.283 0.3 . 1 . . . . 67 VAL C . 6847 1 815 . 1 1 67 67 VAL CA C 13 60.730 0.3 . 1 . . . . 67 VAL CA . 6847 1 816 . 1 1 67 67 VAL CB C 13 33.307 0.3 . 1 . . . . 67 VAL CB . 6847 1 817 . 1 1 67 67 VAL CG1 C 13 19.758 0.3 . 1 . . . . 67 VAL CG1 . 6847 1 818 . 1 1 67 67 VAL CG2 C 13 22.016 0.3 . 1 . . . . 67 VAL CG2 . 6847 1 819 . 1 1 67 67 VAL N N 15 121.394 0.02 . 1 . . . . 67 VAL N . 6847 1 820 . 1 1 68 68 HIS H H 1 8.959 0.02 . 1 . . . . 68 HIS HN . 6847 1 821 . 1 1 68 68 HIS HA H 1 3.760 0.02 . 1 . . . . 68 HIS HA . 6847 1 822 . 1 1 68 68 HIS HB2 H 1 2.639 0.02 . 2 . . . . 68 HIS HB1 . 6847 1 823 . 1 1 68 68 HIS HB3 H 1 2.101 0.02 . 2 . . . . 68 HIS HB2 . 6847 1 824 . 1 1 68 68 HIS C C 13 172.874 0.3 . 1 . . . . 68 HIS C . 6847 1 825 . 1 1 68 68 HIS CA C 13 56.900 0.3 . 1 . . . . 68 HIS CA . 6847 1 826 . 1 1 68 68 HIS CB C 13 29.750 0.3 . 1 . . . . 68 HIS CB . 6847 1 827 . 1 1 68 68 HIS N N 15 126.143 0.02 . 1 . . . . 68 HIS N . 6847 1 828 . 1 1 69 69 MET H H 1 8.243 0.02 . 1 . . . . 69 MET HN . 6847 1 829 . 1 1 69 69 MET HA H 1 4.721 0.02 . 1 . . . . 69 MET HA . 6847 1 830 . 1 1 69 69 MET HB2 H 1 1.640 0.02 . 2 . . . . 69 MET HB1 . 6847 1 831 . 1 1 69 69 MET HB3 H 1 1.721 0.02 . 2 . . . . 69 MET HB2 . 6847 1 832 . 1 1 69 69 MET HG2 H 1 2.000 0.02 . 2 . . . . 69 MET HG1 . 6847 1 833 . 1 1 69 69 MET HG3 H 1 2.643 0.02 . 2 . . . . 69 MET HG2 . 6847 1 834 . 1 1 69 69 MET HE1 H 1 1.720 0.02 . 1 . . . . 69 MET HE . 6847 1 835 . 1 1 69 69 MET HE2 H 1 1.720 0.02 . 1 . . . . 69 MET HE . 6847 1 836 . 1 1 69 69 MET HE3 H 1 1.720 0.02 . 1 . . . . 69 MET HE . 6847 1 837 . 1 1 69 69 MET C C 13 171.981 0.3 . 1 . . . . 69 MET C . 6847 1 838 . 1 1 69 69 MET CA C 13 51.040 0.3 . 1 . . . . 69 MET CA . 6847 1 839 . 1 1 69 69 MET CB C 13 36.230 0.3 . 1 . . . . 69 MET CB . 6847 1 840 . 1 1 69 69 MET CG C 13 30.890 0.3 . 1 . . . . 69 MET CG . 6847 1 841 . 1 1 69 69 MET CE C 13 17.899 0.3 . 1 . . . . 69 MET CE . 6847 1 842 . 1 1 69 69 MET N N 15 130.658 0.02 . 1 . . . . 69 MET N . 6847 1 843 . 1 1 70 70 PRO HA H 1 4.490 0.02 . 1 . . . . 70 PRO HA . 6847 1 844 . 1 1 70 70 PRO HB2 H 1 2.069 0.02 . 2 . . . . 70 PRO HB1 . 6847 1 845 . 1 1 70 70 PRO HB3 H 1 1.951 0.02 . 2 . . . . 70 PRO HB2 . 6847 1 846 . 1 1 70 70 PRO HG2 H 1 1.991 0.02 . 2 . . . . 70 PRO HG1 . 6847 1 847 . 1 1 70 70 PRO HG3 H 1 1.958 0.02 . 2 . . . . 70 PRO HG2 . 6847 1 848 . 1 1 70 70 PRO HD2 H 1 3.610 0.02 . 2 . . . . 70 PRO HD1 . 6847 1 849 . 1 1 70 70 PRO HD3 H 1 3.665 0.02 . 2 . . . . 70 PRO HD2 . 6847 1 850 . 1 1 70 70 PRO C C 13 176.923 0.3 . 1 . . . . 70 PRO C . 6847 1 851 . 1 1 70 70 PRO CA C 13 62.480 0.3 . 1 . . . . 70 PRO CA . 6847 1 852 . 1 1 70 70 PRO CB C 13 32.870 0.3 . 1 . . . . 70 PRO CB . 6847 1 853 . 1 1 70 70 PRO CG C 13 27.479 0.3 . 1 . . . . 70 PRO CG . 6847 1 854 . 1 1 70 70 PRO CD C 13 50.660 0.3 . 1 . . . . 70 PRO CD . 6847 1 855 . 1 1 71 71 ARG H H 1 9.874 0.02 . 1 . . . . 71 ARG HN . 6847 1 856 . 1 1 71 71 ARG HA H 1 4.445 0.02 . 1 . . . . 71 ARG HA . 6847 1 857 . 1 1 71 71 ARG HB2 H 1 1.936 0.02 . 2 . . . . 71 ARG HB1 . 6847 1 858 . 1 1 71 71 ARG HB3 H 1 1.640 0.02 . 2 . . . . 71 ARG HB2 . 6847 1 859 . 1 1 71 71 ARG HG2 H 1 1.507 0.02 . 2 . . . . 71 ARG HG1 . 6847 1 860 . 1 1 71 71 ARG HG3 H 1 1.601 0.02 . 2 . . . . 71 ARG HG2 . 6847 1 861 . 1 1 71 71 ARG HD2 H 1 3.085 0.02 . 2 . . . . 71 ARG HD1 . 6847 1 862 . 1 1 71 71 ARG C C 13 175.837 0.3 . 1 . . . . 71 ARG C . 6847 1 863 . 1 1 71 71 ARG CA C 13 56.286 0.3 . 1 . . . . 71 ARG CA . 6847 1 864 . 1 1 71 71 ARG CB C 13 31.445 0.3 . 1 . . . . 71 ARG CB . 6847 1 865 . 1 1 71 71 ARG CG C 13 27.479 0.3 . 1 . . . . 71 ARG CG . 6847 1 866 . 1 1 71 71 ARG CD C 13 43.230 0.3 . 1 . . . . 71 ARG CD . 6847 1 867 . 1 1 71 71 ARG N N 15 121.824 0.02 . 1 . . . . 71 ARG N . 6847 1 868 . 1 1 72 72 SER H H 1 7.844 0.02 . 1 . . . . 72 SER HN . 6847 1 869 . 1 1 72 72 SER HA H 1 4.611 0.02 . 1 . . . . 72 SER HA . 6847 1 870 . 1 1 72 72 SER HB2 H 1 4.096 0.02 . 2 . . . . 72 SER HB1 . 6847 1 871 . 1 1 72 72 SER HB3 H 1 3.910 0.02 . 2 . . . . 72 SER HB2 . 6847 1 872 . 1 1 72 72 SER C C 13 174.997 0.3 . 1 . . . . 72 SER C . 6847 1 873 . 1 1 72 72 SER CA C 13 57.482 0.3 . 1 . . . . 72 SER CA . 6847 1 874 . 1 1 72 72 SER CB C 13 65.730 0.3 . 1 . . . . 72 SER CB . 6847 1 875 . 1 1 72 72 SER N N 15 113.956 0.02 . 1 . . . . 72 SER N . 6847 1 876 . 1 1 73 73 GLU H H 1 9.259 0.02 . 1 . . . . 73 GLU HN . 6847 1 877 . 1 1 73 73 GLU HA H 1 3.907 0.02 . 1 . . . . 73 GLU HA . 6847 1 878 . 1 1 73 73 GLU HB2 H 1 2.115 0.02 . 2 . . . . 73 GLU HB1 . 6847 1 879 . 1 1 73 73 GLU HB3 H 1 1.967 0.02 . 2 . . . . 73 GLU HB2 . 6847 1 880 . 1 1 73 73 GLU HG2 H 1 2.348 0.02 . 2 . . . . 73 GLU HG2 . 6847 1 881 . 1 1 73 73 GLU CA C 13 57.410 0.3 . 1 . . . . 73 GLU CA . 6847 1 882 . 1 1 73 73 GLU CB C 13 28.900 0.3 . 1 . . . . 73 GLU CB . 6847 1 883 . 1 1 73 73 GLU CG C 13 33.909 0.3 . 1 . . . . 73 GLU CG . 6847 1 884 . 1 1 73 73 GLU N N 15 120.752 0.02 . 1 . . . . 73 GLU N . 6847 1 885 . 1 1 74 74 ASP H H 1 8.140 0.02 . 1 . . . . 74 ASP HN . 6847 1 886 . 1 1 74 74 ASP HA H 1 4.537 0.02 . 1 . . . . 74 ASP HA . 6847 1 887 . 1 1 74 74 ASP HB2 H 1 2.400 0.02 . 2 . . . . 74 ASP HB1 . 6847 1 888 . 1 1 74 74 ASP HB3 H 1 2.713 0.02 . 2 . . . . 74 ASP HB2 . 6847 1 889 . 1 1 74 74 ASP CA C 13 56.070 0.3 . 1 . . . . 74 ASP CA . 6847 1 890 . 1 1 74 74 ASP CB C 13 40.730 0.3 . 1 . . . . 74 ASP CB . 6847 1 891 . 1 1 74 74 ASP N N 15 120.283 0.02 . 1 . . . . 74 ASP N . 6847 1 892 . 1 1 75 75 ASP H H 1 7.466 0.02 . 1 . . . . 75 ASP HN . 6847 1 893 . 1 1 75 75 ASP HA H 1 4.770 0.02 . 1 . . . . 75 ASP HA . 6847 1 894 . 1 1 75 75 ASP HB2 H 1 2.864 0.02 . 2 . . . . 75 ASP HB1 . 6847 1 895 . 1 1 75 75 ASP HB3 H 1 3.095 0.02 . 2 . . . . 75 ASP HB2 . 6847 1 896 . 1 1 75 75 ASP C C 13 175.277 0.3 . 1 . . . . 75 ASP C . 6847 1 897 . 1 1 75 75 ASP CA C 13 53.780 0.3 . 1 . . . . 75 ASP CA . 6847 1 898 . 1 1 75 75 ASP CB C 13 42.339 0.3 . 1 . . . . 75 ASP CB . 6847 1 899 . 1 1 75 75 ASP N N 15 117.940 0.02 . 1 . . . . 75 ASP N . 6847 1 900 . 1 1 76 76 LEU H H 1 7.232 0.02 . 1 . . . . 76 LEU HN . 6847 1 901 . 1 1 76 76 LEU HA H 1 4.146 0.02 . 1 . . . . 76 LEU HA . 6847 1 902 . 1 1 76 76 LEU HB2 H 1 1.572 0.02 . 2 . . . . 76 LEU HB1 . 6847 1 903 . 1 1 76 76 LEU HB3 H 1 1.823 0.02 . 2 . . . . 76 LEU HB2 . 6847 1 904 . 1 1 76 76 LEU HG H 1 1.682 0.02 . 1 . . . . 76 LEU HG . 6847 1 905 . 1 1 76 76 LEU HD11 H 1 0.870 0.02 . 2 . . . . 76 LEU HD1 . 6847 1 906 . 1 1 76 76 LEU HD12 H 1 0.870 0.02 . 2 . . . . 76 LEU HD1 . 6847 1 907 . 1 1 76 76 LEU HD13 H 1 0.870 0.02 . 2 . . . . 76 LEU HD1 . 6847 1 908 . 1 1 76 76 LEU HD21 H 1 0.987 0.02 . 2 . . . . 76 LEU HD2 . 6847 1 909 . 1 1 76 76 LEU HD22 H 1 0.987 0.02 . 2 . . . . 76 LEU HD2 . 6847 1 910 . 1 1 76 76 LEU HD23 H 1 0.987 0.02 . 2 . . . . 76 LEU HD2 . 6847 1 911 . 1 1 76 76 LEU C C 13 177.519 0.3 . 1 . . . . 76 LEU C . 6847 1 912 . 1 1 76 76 LEU CA C 13 55.416 0.3 . 1 . . . . 76 LEU CA . 6847 1 913 . 1 1 76 76 LEU CB C 13 43.130 0.3 . 1 . . . . 76 LEU CB . 6847 1 914 . 1 1 76 76 LEU CG C 13 26.665 0.3 . 1 . . . . 76 LEU CG . 6847 1 915 . 1 1 76 76 LEU CD1 C 13 23.230 0.3 . 1 . . . . 76 LEU CD1 . 6847 1 916 . 1 1 76 76 LEU CD2 C 13 25.469 0.3 . 1 . . . . 76 LEU CD2 . 6847 1 917 . 1 1 76 76 LEU N N 15 116.998 0.02 . 1 . . . . 76 LEU N . 6847 1 918 . 1 1 77 77 ASP H H 1 7.473 0.02 . 1 . . . . 77 ASP HN . 6847 1 919 . 1 1 77 77 ASP HA H 1 4.760 0.02 . 1 . . . . 77 ASP HA . 6847 1 920 . 1 1 77 77 ASP HB2 H 1 2.647 0.02 . 2 . . . . 77 ASP HB1 . 6847 1 921 . 1 1 77 77 ASP HB3 H 1 2.763 0.02 . 2 . . . . 77 ASP HB2 . 6847 1 922 . 1 1 77 77 ASP C C 13 179.130 0.3 . 1 . . . . 77 ASP C . 6847 1 923 . 1 1 77 77 ASP CA C 13 52.356 0.3 . 1 . . . . 77 ASP CA . 6847 1 924 . 1 1 77 77 ASP CB C 13 42.230 0.3 . 1 . . . . 77 ASP CB . 6847 1 925 . 1 1 77 77 ASP N N 15 121.456 0.02 . 1 . . . . 77 ASP N . 6847 1 926 . 1 1 78 78 PRO HA H 1 4.060 0.02 . 1 . . . . 78 PRO HA . 6847 1 927 . 1 1 78 78 PRO HB2 H 1 2.181 0.02 . 2 . . . . 78 PRO HB1 . 6847 1 928 . 1 1 78 78 PRO HB3 H 1 1.975 0.02 . 2 . . . . 78 PRO HB2 . 6847 1 929 . 1 1 78 78 PRO HG2 H 1 1.901 0.02 . 2 . . . . 78 PRO HG1 . 6847 1 930 . 1 1 78 78 PRO HG3 H 1 2.119 0.02 . 2 . . . . 78 PRO HG2 . 6847 1 931 . 1 1 78 78 PRO HD2 H 1 3.818 0.02 . 2 . . . . 78 PRO HD1 . 6847 1 932 . 1 1 78 78 PRO HD3 H 1 4.305 0.02 . 2 . . . . 78 PRO HD2 . 6847 1 933 . 1 1 78 78 PRO C C 13 178.858 0.3 . 1 . . . . 78 PRO C . 6847 1 934 . 1 1 78 78 PRO CA C 13 65.053 0.3 . 1 . . . . 78 PRO CA . 6847 1 935 . 1 1 78 78 PRO CB C 13 32.111 0.3 . 1 . . . . 78 PRO CB . 6847 1 936 . 1 1 78 78 PRO CG C 13 27.479 0.3 . 1 . . . . 78 PRO CG . 6847 1 937 . 1 1 78 78 PRO CD C 13 51.100 0.3 . 1 . . . . 78 PRO CD . 6847 1 938 . 1 1 79 79 GLY H H 1 8.310 0.02 . 1 . . . . 79 GLY HN . 6847 1 939 . 1 1 79 79 GLY HA2 H 1 3.913 0.02 . 2 . . . . 79 GLY HA1 . 6847 1 940 . 1 1 79 79 GLY HA3 H 1 3.802 0.02 . 2 . . . . 79 GLY HA2 . 6847 1 941 . 1 1 79 79 GLY C C 13 176.643 0.3 . 1 . . . . 79 GLY C . 6847 1 942 . 1 1 79 79 GLY CA C 13 47.121 0.3 . 1 . . . . 79 GLY CA . 6847 1 943 . 1 1 79 79 GLY N N 15 107.630 0.02 . 1 . . . . 79 GLY N . 6847 1 944 . 1 1 80 80 LYS H H 1 7.706 0.02 . 1 . . . . 80 LYS HN . 6847 1 945 . 1 1 80 80 LYS HA H 1 4.207 0.02 . 1 . . . . 80 LYS HA . 6847 1 946 . 1 1 80 80 LYS HB2 H 1 1.855 0.02 . 2 . . . . 80 LYS HB1 . 6847 1 947 . 1 1 80 80 LYS HG2 H 1 1.426 0.02 . 2 . . . . 80 LYS HG1 . 6847 1 948 . 1 1 80 80 LYS HG3 H 1 1.531 0.02 . 2 . . . . 80 LYS HG2 . 6847 1 949 . 1 1 80 80 LYS HD2 H 1 1.716 0.02 . 2 . . . . 80 LYS HD1 . 6847 1 950 . 1 1 80 80 LYS HD3 H 1 1.669 0.02 . 2 . . . . 80 LYS HD2 . 6847 1 951 . 1 1 80 80 LYS HE2 H 1 2.991 0.02 . 2 . . . . 80 LYS HE1 . 6847 1 952 . 1 1 80 80 LYS C C 13 180.239 0.3 . 1 . . . . 80 LYS C . 6847 1 953 . 1 1 80 80 LYS CA C 13 58.544 0.3 . 1 . . . . 80 LYS CA . 6847 1 954 . 1 1 80 80 LYS CB C 13 32.510 0.3 . 1 . . . . 80 LYS CB . 6847 1 955 . 1 1 80 80 LYS CG C 13 25.204 0.3 . 1 . . . . 80 LYS CG . 6847 1 956 . 1 1 80 80 LYS CD C 13 29.322 0.3 . 1 . . . . 80 LYS CD . 6847 1 957 . 1 1 80 80 LYS CE C 13 42.144 0.3 . 1 . . . . 80 LYS CE . 6847 1 958 . 1 1 80 80 LYS N N 15 123.799 0.02 . 1 . . . . 80 LYS N . 6847 1 959 . 1 1 81 81 ILE H H 1 7.820 0.02 . 1 . . . . 81 ILE HN . 6847 1 960 . 1 1 81 81 ILE HA H 1 3.385 0.02 . 1 . . . . 81 ILE HA . 6847 1 961 . 1 1 81 81 ILE HB H 1 1.502 0.02 . 1 . . . . 81 ILE HB . 6847 1 962 . 1 1 81 81 ILE HG12 H 1 1.392 0.02 . 1 . . . . 81 ILE HG11 . 6847 1 963 . 1 1 81 81 ILE HG13 H 1 -0.390 0.02 . 1 . . . . 81 ILE HG12 . 6847 1 964 . 1 1 81 81 ILE HG21 H 1 0.411 0.02 . 1 . . . . 81 ILE HG2 . 6847 1 965 . 1 1 81 81 ILE HG22 H 1 0.411 0.02 . 1 . . . . 81 ILE HG2 . 6847 1 966 . 1 1 81 81 ILE HG23 H 1 0.411 0.02 . 1 . . . . 81 ILE HG2 . 6847 1 967 . 1 1 81 81 ILE HD11 H 1 0.260 0.02 . 1 . . . . 81 ILE HD1 . 6847 1 968 . 1 1 81 81 ILE HD12 H 1 0.260 0.02 . 1 . . . . 81 ILE HD1 . 6847 1 969 . 1 1 81 81 ILE HD13 H 1 0.260 0.02 . 1 . . . . 81 ILE HD1 . 6847 1 970 . 1 1 81 81 ILE C C 13 177.178 0.3 . 1 . . . . 81 ILE C . 6847 1 971 . 1 1 81 81 ILE CA C 13 65.980 0.3 . 1 . . . . 81 ILE CA . 6847 1 972 . 1 1 81 81 ILE CB C 13 37.980 0.3 . 1 . . . . 81 ILE CB . 6847 1 973 . 1 1 81 81 ILE CG1 C 13 28.214 0.3 . 1 . . . . 81 ILE CG1 . 6847 1 974 . 1 1 81 81 ILE CG2 C 13 17.000 0.3 . 1 . . . . 81 ILE CG2 . 6847 1 975 . 1 1 81 81 ILE CD1 C 13 14.844 0.3 . 1 . . . . 81 ILE CD1 . 6847 1 976 . 1 1 81 81 ILE N N 15 123.096 0.02 . 1 . . . . 81 ILE N . 6847 1 977 . 1 1 82 82 LYS H H 1 8.080 0.02 . 1 . . . . 82 LYS HN . 6847 1 978 . 1 1 82 82 LYS HA H 1 3.849 0.02 . 1 . . . . 82 LYS HA . 6847 1 979 . 1 1 82 82 LYS HB2 H 1 1.937 0.02 . 2 . . . . 82 LYS HB1 . 6847 1 980 . 1 1 82 82 LYS HB3 H 1 2.021 0.02 . 2 . . . . 82 LYS HB2 . 6847 1 981 . 1 1 82 82 LYS HG2 H 1 1.457 0.02 . 2 . . . . 82 LYS HG1 . 6847 1 982 . 1 1 82 82 LYS HG3 H 1 1.549 0.02 . 2 . . . . 82 LYS HG2 . 6847 1 983 . 1 1 82 82 LYS HD2 H 1 1.712 0.02 . 2 . . . . 82 LYS HD2 . 6847 1 984 . 1 1 82 82 LYS HE2 H 1 2.930 0.02 . 2 . . . . 82 LYS HE2 . 6847 1 985 . 1 1 82 82 LYS C C 13 179.480 0.3 . 1 . . . . 82 LYS C . 6847 1 986 . 1 1 82 82 LYS CA C 13 60.130 0.3 . 1 . . . . 82 LYS CA . 6847 1 987 . 1 1 82 82 LYS CB C 13 32.500 0.3 . 1 . . . . 82 LYS CB . 6847 1 988 . 1 1 82 82 LYS CG C 13 25.119 0.3 . 1 . . . . 82 LYS CG . 6847 1 989 . 1 1 82 82 LYS CD C 13 29.729 0.3 . 1 . . . . 82 LYS CD . 6847 1 990 . 1 1 82 82 LYS CE C 13 42.145 0.3 . 1 . . . . 82 LYS CE . 6847 1 991 . 1 1 82 82 LYS N N 15 120.676 0.02 . 1 . . . . 82 LYS N . 6847 1 992 . 1 1 83 83 GLU H H 1 8.200 0.02 . 1 . . . . 83 GLU HN . 6847 1 993 . 1 1 83 83 GLU HA H 1 4.145 0.02 . 1 . . . . 83 GLU HA . 6847 1 994 . 1 1 83 83 GLU HB2 H 1 2.149 0.02 . 2 . . . . 83 GLU HB1 . 6847 1 995 . 1 1 83 83 GLU HB3 H 1 2.282 0.02 . 2 . . . . 83 GLU HB2 . 6847 1 996 . 1 1 83 83 GLU HG2 H 1 2.424 0.02 . 2 . . . . 83 GLU HG1 . 6847 1 997 . 1 1 83 83 GLU HG3 H 1 2.290 0.02 . 2 . . . . 83 GLU HG2 . 6847 1 998 . 1 1 83 83 GLU C C 13 179.497 0.3 . 1 . . . . 83 GLU C . 6847 1 999 . 1 1 83 83 GLU CA C 13 59.474 0.3 . 1 . . . . 83 GLU CA . 6847 1 1000 . 1 1 83 83 GLU CB C 13 29.853 0.3 . 1 . . . . 83 GLU CB . 6847 1 1001 . 1 1 83 83 GLU CG C 13 36.837 0.3 . 1 . . . . 83 GLU CG . 6847 1 1002 . 1 1 83 83 GLU N N 15 120.518 0.02 . 1 . . . . 83 GLU N . 6847 1 1003 . 1 1 84 84 THR H H 1 8.340 0.02 . 1 . . . . 84 THR HN . 6847 1 1004 . 1 1 84 84 THR HA H 1 4.297 0.02 . 1 . . . . 84 THR HA . 6847 1 1005 . 1 1 84 84 THR HB H 1 4.426 0.02 . 1 . . . . 84 THR HB . 6847 1 1006 . 1 1 84 84 THR HG21 H 1 1.570 0.02 . 1 . . . . 84 THR HG2 . 6847 1 1007 . 1 1 84 84 THR HG22 H 1 1.570 0.02 . 1 . . . . 84 THR HG2 . 6847 1 1008 . 1 1 84 84 THR HG23 H 1 1.570 0.02 . 1 . . . . 84 THR HG2 . 6847 1 1009 . 1 1 84 84 THR C C 13 176.468 0.3 . 1 . . . . 84 THR C . 6847 1 1010 . 1 1 84 84 THR CA C 13 67.000 0.3 . 1 . . . . 84 THR CA . 6847 1 1011 . 1 1 84 84 THR CB C 13 68.480 0.3 . 1 . . . . 84 THR CB . 6847 1 1012 . 1 1 84 84 THR CG2 C 13 22.729 0.3 . 1 . . . . 84 THR CG2 . 6847 1 1013 . 1 1 84 84 THR N N 15 118.409 0.02 . 1 . . . . 84 THR N . 6847 1 1014 . 1 1 85 85 ALA H H 1 8.972 0.02 . 1 . . . . 85 ALA HN . 6847 1 1015 . 1 1 85 85 ALA HA H 1 3.860 0.02 . 1 . . . . 85 ALA HA . 6847 1 1016 . 1 1 85 85 ALA HB1 H 1 1.625 0.02 . 1 . . . . 85 ALA HB . 6847 1 1017 . 1 1 85 85 ALA HB2 H 1 1.625 0.02 . 1 . . . . 85 ALA HB . 6847 1 1018 . 1 1 85 85 ALA HB3 H 1 1.625 0.02 . 1 . . . . 85 ALA HB . 6847 1 1019 . 1 1 85 85 ALA C C 13 179.165 0.3 . 1 . . . . 85 ALA C . 6847 1 1020 . 1 1 85 85 ALA CA C 13 55.755 0.3 . 1 . . . . 85 ALA CA . 6847 1 1021 . 1 1 85 85 ALA CB C 13 18.000 0.3 . 1 . . . . 85 ALA CB . 6847 1 1022 . 1 1 85 85 ALA N N 15 124.655 0.02 . 1 . . . . 85 ALA N . 6847 1 1023 . 1 1 86 86 ALA H H 1 7.870 0.02 . 1 . . . . 86 ALA HN . 6847 1 1024 . 1 1 86 86 ALA HA H 1 4.207 0.02 . 1 . . . . 86 ALA HA . 6847 1 1025 . 1 1 86 86 ALA HB1 H 1 1.528 0.02 . 1 . . . . 86 ALA HB . 6847 1 1026 . 1 1 86 86 ALA HB2 H 1 1.528 0.02 . 1 . . . . 86 ALA HB . 6847 1 1027 . 1 1 86 86 ALA HB3 H 1 1.528 0.02 . 1 . . . . 86 ALA HB . 6847 1 1028 . 1 1 86 86 ALA C C 13 181.512 0.3 . 1 . . . . 86 ALA C . 6847 1 1029 . 1 1 86 86 ALA CA C 13 54.980 0.3 . 1 . . . . 86 ALA CA . 6847 1 1030 . 1 1 86 86 ALA CB C 13 17.766 0.3 . 1 . . . . 86 ALA CB . 6847 1 1031 . 1 1 86 86 ALA N N 15 120.752 0.02 . 1 . . . . 86 ALA N . 6847 1 1032 . 1 1 87 87 GLU H H 1 7.940 0.02 . 1 . . . . 87 GLU HN . 6847 1 1033 . 1 1 87 87 GLU HA H 1 3.949 0.02 . 1 . . . . 87 GLU HA . 6847 1 1034 . 1 1 87 87 GLU HB2 H 1 2.185 0.02 . 2 . . . . 87 GLU HB1 . 6847 1 1035 . 1 1 87 87 GLU HB3 H 1 2.004 0.02 . 2 . . . . 87 GLU HB2 . 6847 1 1036 . 1 1 87 87 GLU HG2 H 1 1.927 0.02 . 2 . . . . 87 GLU HG1 . 6847 1 1037 . 1 1 87 87 GLU HG3 H 1 2.226 0.02 . 2 . . . . 87 GLU HG2 . 6847 1 1038 . 1 1 87 87 GLU C C 13 177.659 0.3 . 1 . . . . 87 GLU C . 6847 1 1039 . 1 1 87 87 GLU CA C 13 58.810 0.3 . 1 . . . . 87 GLU CA . 6847 1 1040 . 1 1 87 87 GLU CB C 13 29.720 0.3 . 1 . . . . 87 GLU CB . 6847 1 1041 . 1 1 87 87 GLU CG C 13 35.730 0.3 . 1 . . . . 87 GLU CG . 6847 1 1042 . 1 1 87 87 GLU N N 15 120.849 0.02 . 1 . . . . 87 GLU N . 6847 1 1043 . 1 1 88 88 HIS H H 1 7.395 0.02 . 1 . . . . 88 HIS HN . 6847 1 1044 . 1 1 88 88 HIS HA H 1 4.435 0.02 . 1 . . . . 88 HIS HA . 6847 1 1045 . 1 1 88 88 HIS HB2 H 1 3.230 0.02 . 2 . . . . 88 HIS HB1 . 6847 1 1046 . 1 1 88 88 HIS HB3 H 1 2.490 0.02 . 2 . . . . 88 HIS HB2 . 6847 1 1047 . 1 1 88 88 HIS HD2 H 1 6.906 0.02 . 1 . . . . 88 HIS HD2 . 6847 1 1048 . 1 1 88 88 HIS HE2 H 1 7.228 0.02 . 1 . . . . 88 HIS HE2 . 6847 1 1049 . 1 1 88 88 HIS C C 13 173.424 0.3 . 1 . . . . 88 HIS C . 6847 1 1050 . 1 1 88 88 HIS CA C 13 56.480 0.3 . 1 . . . . 88 HIS CA . 6847 1 1051 . 1 1 88 88 HIS CB C 13 29.729 0.3 . 1 . . . . 88 HIS CB . 6847 1 1052 . 1 1 88 88 HIS N N 15 114.893 0.02 . 1 . . . . 88 HIS N . 6847 1 1053 . 1 1 89 89 ASP H H 1 7.735 0.02 . 1 . . . . 89 ASP HN . 6847 1 1054 . 1 1 89 89 ASP HA H 1 4.200 0.02 . 1 . . . . 89 ASP HA . 6847 1 1055 . 1 1 89 89 ASP HB2 H 1 3.000 0.02 . 2 . . . . 89 ASP HB1 . 6847 1 1056 . 1 1 89 89 ASP HB3 H 1 2.278 0.02 . 2 . . . . 89 ASP HB2 . 6847 1 1057 . 1 1 89 89 ASP C C 13 173.715 0.3 . 1 . . . . 89 ASP C . 6847 1 1058 . 1 1 89 89 ASP CA C 13 55.490 0.3 . 1 . . . . 89 ASP CA . 6847 1 1059 . 1 1 89 89 ASP CB C 13 39.730 0.3 . 1 . . . . 89 ASP CB . 6847 1 1060 . 1 1 89 89 ASP N N 15 119.119 0.02 . 1 . . . . 89 ASP N . 6847 1 1061 . 1 1 90 90 ILE H H 1 8.537 0.02 . 1 . . . . 90 ILE HN . 6847 1 1062 . 1 1 90 90 ILE HA H 1 3.882 0.02 . 1 . . . . 90 ILE HA . 6847 1 1063 . 1 1 90 90 ILE HB H 1 1.705 0.02 . 1 . . . . 90 ILE HB . 6847 1 1064 . 1 1 90 90 ILE HG12 H 1 0.626 0.02 . 1 . . . . 90 ILE HG11 . 6847 1 1065 . 1 1 90 90 ILE HG13 H 1 1.415 0.02 . 1 . . . . 90 ILE HG12 . 6847 1 1066 . 1 1 90 90 ILE HG21 H 1 0.467 0.02 . 1 . . . . 90 ILE HG2 . 6847 1 1067 . 1 1 90 90 ILE HG22 H 1 0.467 0.02 . 1 . . . . 90 ILE HG2 . 6847 1 1068 . 1 1 90 90 ILE HG23 H 1 0.467 0.02 . 1 . . . . 90 ILE HG2 . 6847 1 1069 . 1 1 90 90 ILE HD11 H 1 -0.341 0.02 . 1 . . . . 90 ILE HD1 . 6847 1 1070 . 1 1 90 90 ILE HD12 H 1 -0.341 0.02 . 1 . . . . 90 ILE HD1 . 6847 1 1071 . 1 1 90 90 ILE HD13 H 1 -0.341 0.02 . 1 . . . . 90 ILE HD1 . 6847 1 1072 . 1 1 90 90 ILE C C 13 175.598 0.3 . 1 . . . . 90 ILE C . 6847 1 1073 . 1 1 90 90 ILE CA C 13 61.231 0.3 . 1 . . . . 90 ILE CA . 6847 1 1074 . 1 1 90 90 ILE CB C 13 36.229 0.3 . 1 . . . . 90 ILE CB . 6847 1 1075 . 1 1 90 90 ILE CG2 C 13 16.960 0.3 . 1 . . . . 90 ILE CG2 . 6847 1 1076 . 1 1 90 90 ILE CD1 C 13 12.797 0.3 . 1 . . . . 90 ILE CD1 . 6847 1 1077 . 1 1 90 90 ILE N N 15 119.118 0.02 . 1 . . . . 90 ILE N . 6847 1 1078 . 1 1 91 91 THR H H 1 7.105 0.02 . 1 . . . . 91 THR HN . 6847 1 1079 . 1 1 91 91 THR HA H 1 4.097 0.02 . 1 . . . . 91 THR HA . 6847 1 1080 . 1 1 91 91 THR HB H 1 4.285 0.02 . 1 . . . . 91 THR HB . 6847 1 1081 . 1 1 91 91 THR HG21 H 1 1.043 0.02 . 1 . . . . 91 THR HG2 . 6847 1 1082 . 1 1 91 91 THR HG22 H 1 1.043 0.02 . 1 . . . . 91 THR HG2 . 6847 1 1083 . 1 1 91 91 THR HG23 H 1 1.043 0.02 . 1 . . . . 91 THR HG2 . 6847 1 1084 . 1 1 91 91 THR C C 13 175.475 0.3 . 1 . . . . 91 THR C . 6847 1 1085 . 1 1 91 91 THR CA C 13 61.998 0.3 . 1 . . . . 91 THR CA . 6847 1 1086 . 1 1 91 91 THR CB C 13 69.037 0.3 . 1 . . . . 91 THR CB . 6847 1 1087 . 1 1 91 91 THR CG2 C 13 21.751 0.3 . 1 . . . . 91 THR CG2 . 6847 1 1088 . 1 1 91 91 THR N N 15 117.244 0.02 . 1 . . . . 91 THR N . 6847 1 1089 . 1 1 92 92 GLN H H 1 10.465 0.02 . 1 . . . . 92 GLN HN . 6847 1 1090 . 1 1 92 92 GLN HA H 1 4.642 0.02 . 1 . . . . 92 GLN HA . 6847 1 1091 . 1 1 92 92 GLN HB2 H 1 1.815 0.02 . 2 . . . . 92 GLN HB1 . 6847 1 1092 . 1 1 92 92 GLN HB3 H 1 2.635 0.02 . 2 . . . . 92 GLN HB2 . 6847 1 1093 . 1 1 92 92 GLN HG2 H 1 2.400 0.02 . 2 . . . . 92 GLN HG1 . 6847 1 1094 . 1 1 92 92 GLN HG3 H 1 2.190 0.02 . 2 . . . . 92 GLN HG2 . 6847 1 1095 . 1 1 92 92 GLN HE22 H 1 7.701 0.02 . 2 . . . . 92 GLN HE22 . 6847 1 1096 . 1 1 92 92 GLN C C 13 171.356 0.3 . 1 . . . . 92 GLN C . 6847 1 1097 . 1 1 92 92 GLN CA C 13 53.762 0.3 . 1 . . . . 92 GLN CA . 6847 1 1098 . 1 1 92 92 GLN CB C 13 26.200 0.3 . 1 . . . . 92 GLN CB . 6847 1 1099 . 1 1 92 92 GLN CG C 13 32.041 0.3 . 1 . . . . 92 GLN CG . 6847 1 1100 . 1 1 92 92 GLN N N 15 127.855 0.02 . 1 . . . . 92 GLN N . 6847 1 1101 . 1 1 92 92 GLN NE2 N 15 118.878 0.02 . 1 . . . . 92 GLN NE2 . 6847 1 1102 . 1 1 93 93 PRO HA H 1 4.745 0.02 . 1 . . . . 93 PRO HA . 6847 1 1103 . 1 1 93 93 PRO HB2 H 1 2.645 0.02 . 2 . . . . 93 PRO HB1 . 6847 1 1104 . 1 1 93 93 PRO HB3 H 1 2.293 0.02 . 2 . . . . 93 PRO HB2 . 6847 1 1105 . 1 1 93 93 PRO HG2 H 1 1.846 0.02 . 2 . . . . 93 PRO HG1 . 6847 1 1106 . 1 1 93 93 PRO HG3 H 1 2.066 0.02 . 2 . . . . 93 PRO HG2 . 6847 1 1107 . 1 1 93 93 PRO HD2 H 1 4.002 0.02 . 2 . . . . 93 PRO HD1 . 6847 1 1108 . 1 1 93 93 PRO HD3 H 1 3.990 0.02 . 2 . . . . 93 PRO HD2 . 6847 1 1109 . 1 1 93 93 PRO C C 13 175.564 0.3 . 1 . . . . 93 PRO C . 6847 1 1110 . 1 1 93 93 PRO CA C 13 64.870 0.3 . 1 . . . . 93 PRO CA . 6847 1 1111 . 1 1 93 93 PRO CB C 13 32.775 0.3 . 1 . . . . 93 PRO CB . 6847 1 1112 . 1 1 93 93 PRO CG C 13 28.578 0.3 . 1 . . . . 93 PRO CG . 6847 1 1113 . 1 1 93 93 PRO CD C 13 50.300 0.3 . 1 . . . . 93 PRO CD . 6847 1 1114 . 1 1 94 94 ILE H H 1 9.271 0.02 . 1 . . . . 94 ILE HN . 6847 1 1115 . 1 1 94 94 ILE HA H 1 5.102 0.02 . 1 . . . . 94 ILE HA . 6847 1 1116 . 1 1 94 94 ILE HB H 1 1.894 0.02 . 1 . . . . 94 ILE HB . 6847 1 1117 . 1 1 94 94 ILE HG12 H 1 2.328 0.02 . 1 . . . . 94 ILE HG11 . 6847 1 1118 . 1 1 94 94 ILE HG13 H 1 0.726 0.02 . 1 . . . . 94 ILE HG12 . 6847 1 1119 . 1 1 94 94 ILE HG21 H 1 0.830 0.02 . 1 . . . . 94 ILE HG2 . 6847 1 1120 . 1 1 94 94 ILE HG22 H 1 0.830 0.02 . 1 . . . . 94 ILE HG2 . 6847 1 1121 . 1 1 94 94 ILE HG23 H 1 0.830 0.02 . 1 . . . . 94 ILE HG2 . 6847 1 1122 . 1 1 94 94 ILE HD11 H 1 0.939 0.02 . 1 . . . . 94 ILE HD1 . 6847 1 1123 . 1 1 94 94 ILE HD12 H 1 0.939 0.02 . 1 . . . . 94 ILE HD1 . 6847 1 1124 . 1 1 94 94 ILE HD13 H 1 0.939 0.02 . 1 . . . . 94 ILE HD1 . 6847 1 1125 . 1 1 94 94 ILE C C 13 174.551 0.3 . 1 . . . . 94 ILE C . 6847 1 1126 . 1 1 94 94 ILE CA C 13 59.076 0.3 . 1 . . . . 94 ILE CA . 6847 1 1127 . 1 1 94 94 ILE CB C 13 42.180 0.3 . 1 . . . . 94 ILE CB . 6847 1 1128 . 1 1 94 94 ILE CG1 C 13 26.980 0.3 . 1 . . . . 94 ILE CG1 . 6847 1 1129 . 1 1 94 94 ILE CG2 C 13 19.000 0.3 . 1 . . . . 94 ILE CG2 . 6847 1 1130 . 1 1 94 94 ILE CD1 C 13 15.641 0.3 . 1 . . . . 94 ILE CD1 . 6847 1 1131 . 1 1 94 94 ILE N N 15 120.752 0.02 . 1 . . . . 94 ILE N . 6847 1 1132 . 1 1 95 95 PHE H H 1 9.102 0.02 . 1 . . . . 95 PHE HN . 6847 1 1133 . 1 1 95 95 PHE HA H 1 3.464 0.02 . 1 . . . . 95 PHE HA . 6847 1 1134 . 1 1 95 95 PHE HB2 H 1 1.770 0.02 . 2 . . . . 95 PHE HB1 . 6847 1 1135 . 1 1 95 95 PHE HB3 H 1 2.785 0.02 . 2 . . . . 95 PHE HB2 . 6847 1 1136 . 1 1 95 95 PHE HD1 H 1 6.925 0.02 . 3 . . . . 95 PHE HD1 . 6847 1 1137 . 1 1 95 95 PHE HE1 H 1 7.017 0.02 . 3 . . . . 95 PHE HE1 . 6847 1 1138 . 1 1 95 95 PHE C C 13 175.690 0.3 . 1 . . . . 95 PHE C . 6847 1 1139 . 1 1 95 95 PHE CA C 13 56.286 0.3 . 1 . . . . 95 PHE CA . 6847 1 1140 . 1 1 95 95 PHE CB C 13 38.730 0.3 . 1 . . . . 95 PHE CB . 6847 1 1141 . 1 1 95 95 PHE N N 15 131.609 0.02 . 1 . . . . 95 PHE N . 6847 1 1142 . 1 1 96 96 VAL H H 1 8.575 0.02 . 1 . . . . 96 VAL HN . 6847 1 1143 . 1 1 96 96 VAL HA H 1 3.947 0.02 . 1 . . . . 96 VAL HA . 6847 1 1144 . 1 1 96 96 VAL HB H 1 2.135 0.02 . 1 . . . . 96 VAL HB . 6847 1 1145 . 1 1 96 96 VAL HG11 H 1 0.863 0.02 . 2 . . . . 96 VAL HG1 . 6847 1 1146 . 1 1 96 96 VAL HG12 H 1 0.863 0.02 . 2 . . . . 96 VAL HG1 . 6847 1 1147 . 1 1 96 96 VAL HG13 H 1 0.863 0.02 . 2 . . . . 96 VAL HG1 . 6847 1 1148 . 1 1 96 96 VAL HG21 H 1 0.732 0.02 . 2 . . . . 96 VAL HG2 . 6847 1 1149 . 1 1 96 96 VAL HG22 H 1 0.732 0.02 . 2 . . . . 96 VAL HG2 . 6847 1 1150 . 1 1 96 96 VAL HG23 H 1 0.732 0.02 . 2 . . . . 96 VAL HG2 . 6847 1 1151 . 1 1 96 96 VAL C C 13 174.429 0.3 . 1 . . . . 96 VAL C . 6847 1 1152 . 1 1 96 96 VAL CA C 13 64.230 0.3 . 1 . . . . 96 VAL CA . 6847 1 1153 . 1 1 96 96 VAL CB C 13 39.124 0.3 . 1 . . . . 96 VAL CB . 6847 1 1154 . 1 1 96 96 VAL CG1 C 13 22.946 0.3 . 1 . . . . 96 VAL CG1 . 6847 1 1155 . 1 1 96 96 VAL CG2 C 13 21.619 0.3 . 1 . . . . 96 VAL CG2 . 6847 1 1156 . 1 1 96 96 VAL N N 15 131.534 0.02 . 1 . . . . 96 VAL N . 6847 1 1157 . 1 1 97 97 ASP H H 1 8.921 0.02 . 1 . . . . 97 ASP HN . 6847 1 1158 . 1 1 97 97 ASP HA H 1 5.340 0.02 . 1 . . . . 97 ASP HA . 6847 1 1159 . 1 1 97 97 ASP HB2 H 1 3.038 0.02 . 2 . . . . 97 ASP HB1 . 6847 1 1160 . 1 1 97 97 ASP HB3 H 1 2.172 0.02 . 2 . . . . 97 ASP HB2 . 6847 1 1161 . 1 1 97 97 ASP C C 13 178.659 0.3 . 1 . . . . 97 ASP C . 6847 1 1162 . 1 1 97 97 ASP CA C 13 53.730 0.3 . 1 . . . . 97 ASP CA . 6847 1 1163 . 1 1 97 97 ASP CB C 13 41.210 0.3 . 1 . . . . 97 ASP CB . 6847 1 1164 . 1 1 97 97 ASP N N 15 134.344 0.02 . 1 . . . . 97 ASP N . 6847 1 1165 . 1 1 98 98 SER H H 1 7.151 0.02 . 1 . . . . 98 SER HN . 6847 1 1166 . 1 1 98 98 SER HA H 1 4.077 0.02 . 1 . . . . 98 SER HA . 6847 1 1167 . 1 1 98 98 SER HB2 H 1 3.526 0.02 . 2 . . . . 98 SER HB2 . 6847 1 1168 . 1 1 98 98 SER C C 13 172.834 0.3 . 1 . . . . 98 SER C . 6847 1 1169 . 1 1 98 98 SER CA C 13 61.800 0.3 . 1 . . . . 98 SER CA . 6847 1 1170 . 1 1 98 98 SER CB C 13 63.064 0.3 . 1 . . . . 98 SER CB . 6847 1 1171 . 1 1 98 98 SER N N 15 114.654 0.02 . 1 . . . . 98 SER N . 6847 1 1172 . 1 1 99 99 ASP H H 1 8.468 0.02 . 1 . . . . 99 ASP HN . 6847 1 1173 . 1 1 99 99 ASP HA H 1 4.178 0.02 . 1 . . . . 99 ASP HA . 6847 1 1174 . 1 1 99 99 ASP HB2 H 1 2.850 0.02 . 2 . . . . 99 ASP HB1 . 6847 1 1175 . 1 1 99 99 ASP HB3 H 1 2.601 0.02 . 2 . . . . 99 ASP HB2 . 6847 1 1176 . 1 1 99 99 ASP C C 13 176.148 0.3 . 1 . . . . 99 ASP C . 6847 1 1177 . 1 1 99 99 ASP CA C 13 54.480 0.3 . 1 . . . . 99 ASP CA . 6847 1 1178 . 1 1 99 99 ASP CB C 13 40.980 0.3 . 1 . . . . 99 ASP CB . 6847 1 1179 . 1 1 99 99 ASP N N 15 117.808 0.02 . 1 . . . . 99 ASP N . 6847 1 1180 . 1 1 100 100 HIS H H 1 8.005 0.02 . 1 . . . . 100 HIS HN . 6847 1 1181 . 1 1 100 100 HIS HA H 1 4.306 0.02 . 1 . . . . 100 HIS HA . 6847 1 1182 . 1 1 100 100 HIS HB2 H 1 3.410 0.02 . 2 . . . . 100 HIS HB1 . 6847 1 1183 . 1 1 100 100 HIS HB3 H 1 3.340 0.02 . 2 . . . . 100 HIS HB2 . 6847 1 1184 . 1 1 100 100 HIS HD2 H 1 7.038 0.02 . 1 . . . . 100 HIS HD2 . 6847 1 1185 . 1 1 100 100 HIS C C 13 173.455 0.3 . 1 . . . . 100 HIS C . 6847 1 1186 . 1 1 100 100 HIS CA C 13 57.860 0.3 . 1 . . . . 100 HIS CA . 6847 1 1187 . 1 1 100 100 HIS CB C 13 27.730 0.3 . 1 . . . . 100 HIS CB . 6847 1 1188 . 1 1 100 100 HIS N N 15 114.444 0.02 . 1 . . . . 100 HIS N . 6847 1 1189 . 1 1 101 101 ALA H H 1 7.670 0.02 . 1 . . . . 101 ALA HN . 6847 1 1190 . 1 1 101 101 ALA HA H 1 4.190 0.02 . 1 . . . . 101 ALA HA . 6847 1 1191 . 1 1 101 101 ALA HB1 H 1 1.562 0.02 . 1 . . . . 101 ALA HB . 6847 1 1192 . 1 1 101 101 ALA HB2 H 1 1.562 0.02 . 1 . . . . 101 ALA HB . 6847 1 1193 . 1 1 101 101 ALA HB3 H 1 1.562 0.02 . 1 . . . . 101 ALA HB . 6847 1 1194 . 1 1 101 101 ALA C C 13 180.752 0.3 . 1 . . . . 101 ALA C . 6847 1 1195 . 1 1 101 101 ALA CA C 13 55.622 0.3 . 1 . . . . 101 ALA CA . 6847 1 1196 . 1 1 101 101 ALA CB C 13 19.758 0.3 . 1 . . . . 101 ALA CB . 6847 1 1197 . 1 1 101 101 ALA N N 15 123.871 0.02 . 1 . . . . 101 ALA N . 6847 1 1198 . 1 1 102 102 LEU H H 1 10.498 0.02 . 1 . . . . 102 LEU HN . 6847 1 1199 . 1 1 102 102 LEU HA H 1 4.309 0.02 . 1 . . . . 102 LEU HA . 6847 1 1200 . 1 1 102 102 LEU HB2 H 1 1.180 0.02 . 2 . . . . 102 LEU HB1 . 6847 1 1201 . 1 1 102 102 LEU HB3 H 1 1.064 0.02 . 2 . . . . 102 LEU HB2 . 6847 1 1202 . 1 1 102 102 LEU HG H 1 1.333 0.02 . 1 . . . . 102 LEU HG . 6847 1 1203 . 1 1 102 102 LEU HD11 H 1 0.714 0.02 . 2 . . . . 102 LEU HD1 . 6847 1 1204 . 1 1 102 102 LEU HD12 H 1 0.714 0.02 . 2 . . . . 102 LEU HD1 . 6847 1 1205 . 1 1 102 102 LEU HD13 H 1 0.714 0.02 . 2 . . . . 102 LEU HD1 . 6847 1 1206 . 1 1 102 102 LEU HD21 H 1 -0.430 0.02 . 2 . . . . 102 LEU HD2 . 6847 1 1207 . 1 1 102 102 LEU HD22 H 1 -0.430 0.02 . 2 . . . . 102 LEU HD2 . 6847 1 1208 . 1 1 102 102 LEU HD23 H 1 -0.430 0.02 . 2 . . . . 102 LEU HD2 . 6847 1 1209 . 1 1 102 102 LEU C C 13 180.334 0.3 . 1 . . . . 102 LEU C . 6847 1 1210 . 1 1 102 102 LEU CA C 13 57.250 0.3 . 1 . . . . 102 LEU CA . 6847 1 1211 . 1 1 102 102 LEU CB C 13 42.210 0.3 . 1 . . . . 102 LEU CB . 6847 1 1212 . 1 1 102 102 LEU CG C 13 26.730 0.3 . 1 . . . . 102 LEU CG . 6847 1 1213 . 1 1 102 102 LEU CD1 C 13 23.979 0.3 . 1 . . . . 102 LEU CD1 . 6847 1 1214 . 1 1 102 102 LEU CD2 C 13 24.479 0.3 . 1 . . . . 102 LEU CD2 . 6847 1 1215 . 1 1 102 102 LEU N N 15 126.697 0.02 . 1 . . . . 102 LEU N . 6847 1 1216 . 1 1 103 103 THR H H 1 10.014 0.02 . 1 . . . . 103 THR HN . 6847 1 1217 . 1 1 103 103 THR HA H 1 3.786 0.02 . 1 . . . . 103 THR HA . 6847 1 1218 . 1 1 103 103 THR HB H 1 3.492 0.02 . 1 . . . . 103 THR HB . 6847 1 1219 . 1 1 103 103 THR HG21 H 1 1.109 0.02 . 1 . . . . 103 THR HG2 . 6847 1 1220 . 1 1 103 103 THR HG22 H 1 1.109 0.02 . 1 . . . . 103 THR HG2 . 6847 1 1221 . 1 1 103 103 THR HG23 H 1 1.109 0.02 . 1 . . . . 103 THR HG2 . 6847 1 1222 . 1 1 103 103 THR C C 13 176.608 0.3 . 1 . . . . 103 THR C . 6847 1 1223 . 1 1 103 103 THR CA C 13 68.980 0.3 . 1 . . . . 103 THR CA . 6847 1 1224 . 1 1 103 103 THR CB C 13 68.980 0.3 . 1 . . . . 103 THR CB . 6847 1 1225 . 1 1 103 103 THR CG2 C 13 22.480 0.3 . 1 . . . . 103 THR CG2 . 6847 1 1226 . 1 1 103 103 THR N N 15 121.924 0.02 . 1 . . . . 103 THR N . 6847 1 1227 . 1 1 104 104 ASP H H 1 8.195 0.02 . 1 . . . . 104 ASP HN . 6847 1 1228 . 1 1 104 104 ASP HA H 1 4.483 0.02 . 1 . . . . 104 ASP HA . 6847 1 1229 . 1 1 104 104 ASP HB2 H 1 2.911 0.02 . 2 . . . . 104 ASP HB1 . 6847 1 1230 . 1 1 104 104 ASP HB3 H 1 2.613 0.02 . 2 . . . . 104 ASP HB2 . 6847 1 1231 . 1 1 104 104 ASP C C 13 179.761 0.3 . 1 . . . . 104 ASP C . 6847 1 1232 . 1 1 104 104 ASP CA C 13 57.216 0.3 . 1 . . . . 104 ASP CA . 6847 1 1233 . 1 1 104 104 ASP CB C 13 39.730 0.3 . 1 . . . . 104 ASP CB . 6847 1 1234 . 1 1 104 104 ASP N N 15 121.456 0.02 . 1 . . . . 104 ASP N . 6847 1 1235 . 1 1 105 105 ALA H H 1 7.927 0.02 . 1 . . . . 105 ALA HN . 6847 1 1236 . 1 1 105 105 ALA HA H 1 4.200 0.02 . 1 . . . . 105 ALA HA . 6847 1 1237 . 1 1 105 105 ALA HB1 H 1 1.651 0.02 . 1 . . . . 105 ALA HB . 6847 1 1238 . 1 1 105 105 ALA HB2 H 1 1.651 0.02 . 1 . . . . 105 ALA HB . 6847 1 1239 . 1 1 105 105 ALA HB3 H 1 1.651 0.02 . 1 . . . . 105 ALA HB . 6847 1 1240 . 1 1 105 105 ALA C C 13 180.146 0.3 . 1 . . . . 105 ALA C . 6847 1 1241 . 1 1 105 105 ALA CA C 13 55.225 0.3 . 1 . . . . 105 ALA CA . 6847 1 1242 . 1 1 105 105 ALA CB C 13 18.000 0.3 . 1 . . . . 105 ALA CB . 6847 1 1243 . 1 1 105 105 ALA N N 15 126.005 0.02 . 1 . . . . 105 ALA N . 6847 1 1244 . 1 1 106 106 PHE H H 1 8.603 0.02 . 1 . . . . 106 PHE HN . 6847 1 1245 . 1 1 106 106 PHE HA H 1 3.990 0.02 . 1 . . . . 106 PHE HA . 6847 1 1246 . 1 1 106 106 PHE HB2 H 1 2.906 0.02 . 2 . . . . 106 PHE HB1 . 6847 1 1247 . 1 1 106 106 PHE HB3 H 1 2.577 0.02 . 2 . . . . 106 PHE HB2 . 6847 1 1248 . 1 1 106 106 PHE HD1 H 1 6.685 0.02 . 3 . . . . 106 PHE HD1 . 6847 1 1249 . 1 1 106 106 PHE HE1 H 1 6.766 0.02 . 3 . . . . 106 PHE HE1 . 6847 1 1250 . 1 1 106 106 PHE C C 13 175.032 0.3 . 1 . . . . 106 PHE C . 6847 1 1251 . 1 1 106 106 PHE CA C 13 58.981 0.3 . 1 . . . . 106 PHE CA . 6847 1 1252 . 1 1 106 106 PHE CB C 13 40.010 0.3 . 1 . . . . 106 PHE CB . 6847 1 1253 . 1 1 106 106 PHE N N 15 117.471 0.02 . 1 . . . . 106 PHE N . 6847 1 1254 . 1 1 107 107 GLU H H 1 7.918 0.02 . 1 . . . . 107 GLU HN . 6847 1 1255 . 1 1 107 107 GLU HA H 1 3.777 0.02 . 1 . . . . 107 GLU HA . 6847 1 1256 . 1 1 107 107 GLU HB2 H 1 1.944 0.02 . 2 . . . . 107 GLU HB1 . 6847 1 1257 . 1 1 107 107 GLU HB3 H 1 2.070 0.02 . 2 . . . . 107 GLU HB2 . 6847 1 1258 . 1 1 107 107 GLU HG2 H 1 2.169 0.02 . 2 . . . . 107 GLU HG1 . 6847 1 1259 . 1 1 107 107 GLU HG3 H 1 1.932 0.02 . 2 . . . . 107 GLU HG2 . 6847 1 1260 . 1 1 107 107 GLU C C 13 175.592 0.3 . 1 . . . . 107 GLU C . 6847 1 1261 . 1 1 107 107 GLU CA C 13 56.817 0.3 . 1 . . . . 107 GLU CA . 6847 1 1262 . 1 1 107 107 GLU CB C 13 27.650 0.3 . 1 . . . . 107 GLU CB . 6847 1 1263 . 1 1 107 107 GLU CG C 13 33.466 0.3 . 1 . . . . 107 GLU CG . 6847 1 1264 . 1 1 107 107 GLU N N 15 120.340 0.02 . 1 . . . . 107 GLU N . 6847 1 1265 . 1 1 108 108 ASN H H 1 7.970 0.02 . 1 . . . . 108 ASN HN . 6847 1 1266 . 1 1 108 108 ASN HA H 1 4.229 0.02 . 1 . . . . 108 ASN HA . 6847 1 1267 . 1 1 108 108 ASN HB2 H 1 1.663 0.02 . 2 . . . . 108 ASN HB1 . 6847 1 1268 . 1 1 108 108 ASN HB3 H 1 2.144 0.02 . 2 . . . . 108 ASN HB2 . 6847 1 1269 . 1 1 108 108 ASN HD21 H 1 6.099 0.02 . 2 . . . . 108 ASN HD21 . 6847 1 1270 . 1 1 108 108 ASN HD22 H 1 7.364 0.02 . 2 . . . . 108 ASN HD22 . 6847 1 1271 . 1 1 108 108 ASN C C 13 174.230 0.3 . 1 . . . . 108 ASN C . 6847 1 1272 . 1 1 108 108 ASN CA C 13 55.091 0.3 . 1 . . . . 108 ASN CA . 6847 1 1273 . 1 1 108 108 ASN CB C 13 40.730 0.3 . 1 . . . . 108 ASN CB . 6847 1 1274 . 1 1 108 108 ASN N N 15 116.065 0.02 . 1 . . . . 108 ASN N . 6847 1 1275 . 1 1 108 108 ASN ND2 N 15 116.768 0.02 . 1 . . . . 108 ASN ND2 . 6847 1 1276 . 1 1 109 109 GLU H H 1 8.328 0.02 . 1 . . . . 109 GLU HN . 6847 1 1277 . 1 1 109 109 GLU HA H 1 4.025 0.02 . 1 . . . . 109 GLU HA . 6847 1 1278 . 1 1 109 109 GLU HB2 H 1 1.340 0.02 . 2 . . . . 109 GLU HB1 . 6847 1 1279 . 1 1 109 109 GLU HG2 H 1 1.825 0.02 . 2 . . . . 109 GLU HG1 . 6847 1 1280 . 1 1 109 109 GLU HG3 H 1 1.665 0.02 . 2 . . . . 109 GLU HG2 . 6847 1 1281 . 1 1 109 109 GLU C C 13 175.452 0.3 . 1 . . . . 109 GLU C . 6847 1 1282 . 1 1 109 109 GLU CA C 13 57.000 0.3 . 1 . . . . 109 GLU CA . 6847 1 1283 . 1 1 109 109 GLU CB C 13 32.000 0.3 . 1 . . . . 109 GLU CB . 6847 1 1284 . 1 1 109 109 GLU CG C 13 36.230 0.3 . 1 . . . . 109 GLU CG . 6847 1 1285 . 1 1 109 109 GLU N N 15 126.336 0.02 . 1 . . . . 109 GLU N . 6847 1 1286 . 1 1 110 110 TYR H H 1 7.935 0.02 . 1 . . . . 110 TYR HN . 6847 1 1287 . 1 1 110 110 TYR HA H 1 4.800 0.02 . 1 . . . . 110 TYR HA . 6847 1 1288 . 1 1 110 110 TYR HB2 H 1 3.030 0.02 . 2 . . . . 110 TYR HB1 . 6847 1 1289 . 1 1 110 110 TYR HB3 H 1 2.679 0.02 . 2 . . . . 110 TYR HB2 . 6847 1 1290 . 1 1 110 110 TYR HD1 H 1 7.096 0.02 . 3 . . . . 110 TYR HD1 . 6847 1 1291 . 1 1 110 110 TYR HE1 H 1 6.780 0.02 . 3 . . . . 110 TYR HE1 . 6847 1 1292 . 1 1 110 110 TYR C C 13 174.716 0.3 . 1 . . . . 110 TYR C . 6847 1 1293 . 1 1 110 110 TYR CA C 13 56.460 0.3 . 1 . . . . 110 TYR CA . 6847 1 1294 . 1 1 110 110 TYR CB C 13 41.980 0.3 . 1 . . . . 110 TYR CB . 6847 1 1295 . 1 1 110 110 TYR CD1 C 13 133.789 0.3 . 3 . . . . 110 TYR CD1 . 6847 1 1296 . 1 1 110 110 TYR N N 15 118.410 0.02 . 1 . . . . 110 TYR N . 6847 1 1297 . 1 1 111 111 VAL H H 1 8.088 0.02 . 1 . . . . 111 VAL HN . 6847 1 1298 . 1 1 111 111 VAL HA H 1 4.399 0.02 . 1 . . . . 111 VAL HA . 6847 1 1299 . 1 1 111 111 VAL HB H 1 1.891 0.02 . 1 . . . . 111 VAL HB . 6847 1 1300 . 1 1 111 111 VAL HG11 H 1 0.800 0.02 . 2 . . . . 111 VAL HG1 . 6847 1 1301 . 1 1 111 111 VAL HG12 H 1 0.800 0.02 . 2 . . . . 111 VAL HG1 . 6847 1 1302 . 1 1 111 111 VAL HG13 H 1 0.800 0.02 . 2 . . . . 111 VAL HG1 . 6847 1 1303 . 1 1 111 111 VAL HG21 H 1 0.900 0.02 . 2 . . . . 111 VAL HG2 . 6847 1 1304 . 1 1 111 111 VAL HG22 H 1 0.900 0.02 . 2 . . . . 111 VAL HG2 . 6847 1 1305 . 1 1 111 111 VAL HG23 H 1 0.900 0.02 . 2 . . . . 111 VAL HG2 . 6847 1 1306 . 1 1 111 111 VAL C C 13 173.631 0.3 . 1 . . . . 111 VAL C . 6847 1 1307 . 1 1 111 111 VAL CA C 13 58.000 0.3 . 1 . . . . 111 VAL CA . 6847 1 1308 . 1 1 111 111 VAL CB C 13 34.980 0.3 . 1 . . . . 111 VAL CB . 6847 1 1309 . 1 1 111 111 VAL CG1 C 13 23.979 0.3 . 1 . . . . 111 VAL CG1 . 6847 1 1310 . 1 1 111 111 VAL CG2 C 13 18.479 0.3 . 1 . . . . 111 VAL CG2 . 6847 1 1311 . 1 1 111 111 VAL N N 15 112.088 0.02 . 1 . . . . 111 VAL N . 6847 1 1312 . 1 1 112 112 PRO HA H 1 4.772 0.02 . 1 . . . . 112 PRO HA . 6847 1 1313 . 1 1 112 112 PRO HB2 H 1 2.613 0.02 . 2 . . . . 112 PRO HB1 . 6847 1 1314 . 1 1 112 112 PRO HB3 H 1 1.900 0.02 . 2 . . . . 112 PRO HB2 . 6847 1 1315 . 1 1 112 112 PRO HG2 H 1 1.876 0.02 . 2 . . . . 112 PRO HG1 . 6847 1 1316 . 1 1 112 112 PRO HG3 H 1 1.888 0.02 . 2 . . . . 112 PRO HG2 . 6847 1 1317 . 1 1 112 112 PRO HD2 H 1 3.200 0.02 . 2 . . . . 112 PRO HD1 . 6847 1 1318 . 1 1 112 112 PRO HD3 H 1 3.610 0.02 . 2 . . . . 112 PRO HD2 . 6847 1 1319 . 1 1 112 112 PRO C C 13 175.452 0.3 . 1 . . . . 112 PRO C . 6847 1 1320 . 1 1 112 112 PRO CA C 13 62.750 0.3 . 1 . . . . 112 PRO CA . 6847 1 1321 . 1 1 112 112 PRO CB C 13 34.980 0.3 . 1 . . . . 112 PRO CB . 6847 1 1322 . 1 1 112 112 PRO CG C 13 24.595 0.3 . 1 . . . . 112 PRO CG . 6847 1 1323 . 1 1 112 112 PRO CD C 13 50.150 0.3 . 1 . . . . 112 PRO CD . 6847 1 1324 . 1 1 113 113 ALA H H 1 7.170 0.02 . 1 . . . . 113 ALA HN . 6847 1 1325 . 1 1 113 113 ALA HA H 1 4.814 0.02 . 1 . . . . 113 ALA HA . 6847 1 1326 . 1 1 113 113 ALA HB1 H 1 1.660 0.02 . 1 . . . . 113 ALA HB . 6847 1 1327 . 1 1 113 113 ALA HB2 H 1 1.660 0.02 . 1 . . . . 113 ALA HB . 6847 1 1328 . 1 1 113 113 ALA HB3 H 1 1.660 0.02 . 1 . . . . 113 ALA HB . 6847 1 1329 . 1 1 113 113 ALA C C 13 175.487 0.3 . 1 . . . . 113 ALA C . 6847 1 1330 . 1 1 113 113 ALA CA C 13 52.310 0.3 . 1 . . . . 113 ALA CA . 6847 1 1331 . 1 1 113 113 ALA CB C 13 25.200 0.3 . 1 . . . . 113 ALA CB . 6847 1 1332 . 1 1 113 113 ALA N N 15 118.878 0.02 . 1 . . . . 113 ALA N . 6847 1 1333 . 1 1 114 114 TYR H H 1 8.809 0.02 . 1 . . . . 114 TYR HN . 6847 1 1334 . 1 1 114 114 TYR HA H 1 5.282 0.02 . 1 . . . . 114 TYR HA . 6847 1 1335 . 1 1 114 114 TYR HB2 H 1 2.725 0.02 . 2 . . . . 114 TYR HB1 . 6847 1 1336 . 1 1 114 114 TYR HB3 H 1 2.615 0.02 . 2 . . . . 114 TYR HB2 . 6847 1 1337 . 1 1 114 114 TYR HD1 H 1 6.911 0.02 . 3 . . . . 114 TYR HD1 . 6847 1 1338 . 1 1 114 114 TYR C C 13 172.965 0.3 . 1 . . . . 114 TYR C . 6847 1 1339 . 1 1 114 114 TYR CA C 13 57.480 0.3 . 1 . . . . 114 TYR CA . 6847 1 1340 . 1 1 114 114 TYR CB C 13 41.000 0.3 . 1 . . . . 114 TYR CB . 6847 1 1341 . 1 1 114 114 TYR N N 15 119.754 0.02 . 1 . . . . 114 TYR N . 6847 1 1342 . 1 1 115 115 TYR H H 1 9.473 0.02 . 1 . . . . 115 TYR HN . 6847 1 1343 . 1 1 115 115 TYR HA H 1 5.054 0.02 . 1 . . . . 115 TYR HA . 6847 1 1344 . 1 1 115 115 TYR HB2 H 1 3.452 0.02 . 2 . . . . 115 TYR HB1 . 6847 1 1345 . 1 1 115 115 TYR HB3 H 1 2.898 0.02 . 2 . . . . 115 TYR HB2 . 6847 1 1346 . 1 1 115 115 TYR HD1 H 1 7.324 0.02 . 3 . . . . 115 TYR HD1 . 6847 1 1347 . 1 1 115 115 TYR HE1 H 1 6.450 0.02 . 3 . . . . 115 TYR HE1 . 6847 1 1348 . 1 1 115 115 TYR C C 13 174.366 0.3 . 1 . . . . 115 TYR C . 6847 1 1349 . 1 1 115 115 TYR CA C 13 57.482 0.3 . 1 . . . . 115 TYR CA . 6847 1 1350 . 1 1 115 115 TYR CB C 13 41.277 0.3 . 1 . . . . 115 TYR CB . 6847 1 1351 . 1 1 115 115 TYR CD1 C 13 133.165 0.3 . 3 . . . . 115 TYR CD1 . 6847 1 1352 . 1 1 115 115 TYR CE1 C 13 118.916 0.3 . 3 . . . . 115 TYR CE1 . 6847 1 1353 . 1 1 115 115 TYR N N 15 121.871 0.02 . 1 . . . . 115 TYR N . 6847 1 1354 . 1 1 116 116 VAL H H 1 9.072 0.02 . 1 . . . . 116 VAL HN . 6847 1 1355 . 1 1 116 116 VAL HA H 1 5.032 0.02 . 1 . . . . 116 VAL HA . 6847 1 1356 . 1 1 116 116 VAL HB H 1 2.091 0.02 . 1 . . . . 116 VAL HB . 6847 1 1357 . 1 1 116 116 VAL HG11 H 1 0.837 0.02 . 2 . . . . 116 VAL HG1 . 6847 1 1358 . 1 1 116 116 VAL HG12 H 1 0.837 0.02 . 2 . . . . 116 VAL HG1 . 6847 1 1359 . 1 1 116 116 VAL HG13 H 1 0.837 0.02 . 2 . . . . 116 VAL HG1 . 6847 1 1360 . 1 1 116 116 VAL HG21 H 1 0.806 0.02 . 2 . . . . 116 VAL HG2 . 6847 1 1361 . 1 1 116 116 VAL HG22 H 1 0.806 0.02 . 2 . . . . 116 VAL HG2 . 6847 1 1362 . 1 1 116 116 VAL HG23 H 1 0.806 0.02 . 2 . . . . 116 VAL HG2 . 6847 1 1363 . 1 1 116 116 VAL C C 13 174.436 0.3 . 1 . . . . 116 VAL C . 6847 1 1364 . 1 1 116 116 VAL CA C 13 61.000 0.3 . 1 . . . . 116 VAL CA . 6847 1 1365 . 1 1 116 116 VAL CB C 13 33.480 0.3 . 1 . . . . 116 VAL CB . 6847 1 1366 . 1 1 116 116 VAL CG1 C 13 21.729 0.3 . 1 . . . . 116 VAL CG1 . 6847 1 1367 . 1 1 116 116 VAL CG2 C 13 21.480 0.3 . 1 . . . . 116 VAL CG2 . 6847 1 1368 . 1 1 116 116 VAL N N 15 122.393 0.02 . 1 . . . . 116 VAL N . 6847 1 1369 . 1 1 117 117 PHE H H 1 10.124 0.02 . 1 . . . . 117 PHE HN . 6847 1 1370 . 1 1 117 117 PHE HA H 1 5.287 0.02 . 1 . . . . 117 PHE HA . 6847 1 1371 . 1 1 117 117 PHE HB2 H 1 3.025 0.02 . 2 . . . . 117 PHE HB1 . 6847 1 1372 . 1 1 117 117 PHE HB3 H 1 2.851 0.02 . 2 . . . . 117 PHE HB2 . 6847 1 1373 . 1 1 117 117 PHE HD1 H 1 7.197 0.02 . 3 . . . . 117 PHE HD1 . 6847 1 1374 . 1 1 117 117 PHE HE1 H 1 7.285 0.02 . 3 . . . . 117 PHE HE1 . 6847 1 1375 . 1 1 117 117 PHE C C 13 176.328 0.3 . 1 . . . . 117 PHE C . 6847 1 1376 . 1 1 117 117 PHE CA C 13 56.286 0.3 . 1 . . . . 117 PHE CA . 6847 1 1377 . 1 1 117 117 PHE CB C 13 42.070 0.3 . 1 . . . . 117 PHE CB . 6847 1 1378 . 1 1 117 117 PHE N N 15 129.195 0.02 . 1 . . . . 117 PHE N . 6847 1 1379 . 1 1 118 118 ASP H H 1 8.590 0.02 . 1 . . . . 118 ASP HN . 6847 1 1380 . 1 1 118 118 ASP HA H 1 4.623 0.02 . 1 . . . . 118 ASP HA . 6847 1 1381 . 1 1 118 118 ASP HB2 H 1 3.627 0.02 . 2 . . . . 118 ASP HB1 . 6847 1 1382 . 1 1 118 118 ASP HB3 H 1 2.737 0.02 . 2 . . . . 118 ASP HB2 . 6847 1 1383 . 1 1 118 118 ASP C C 13 178.465 0.3 . 1 . . . . 118 ASP C . 6847 1 1384 . 1 1 118 118 ASP CA C 13 53.040 0.3 . 1 . . . . 118 ASP CA . 6847 1 1385 . 1 1 118 118 ASP CB C 13 41.480 0.3 . 1 . . . . 118 ASP CB . 6847 1 1386 . 1 1 118 118 ASP N N 15 118.860 0.02 . 1 . . . . 118 ASP N . 6847 1 1387 . 1 1 119 119 LYS H H 1 9.360 0.02 . 1 . . . . 119 LYS HN . 6847 1 1388 . 1 1 119 119 LYS HA H 1 4.183 0.02 . 1 . . . . 119 LYS HA . 6847 1 1389 . 1 1 119 119 LYS HB2 H 1 1.635 0.02 . 2 . . . . 119 LYS HB1 . 6847 1 1390 . 1 1 119 119 LYS HB3 H 1 1.323 0.02 . 2 . . . . 119 LYS HB2 . 6847 1 1391 . 1 1 119 119 LYS HG2 H 1 1.110 0.02 . 2 . . . . 119 LYS HG1 . 6847 1 1392 . 1 1 119 119 LYS HG3 H 1 1.474 0.02 . 2 . . . . 119 LYS HG2 . 6847 1 1393 . 1 1 119 119 LYS HD2 H 1 1.525 0.02 . 2 . . . . 119 LYS HD1 . 6847 1 1394 . 1 1 119 119 LYS HD3 H 1 1.582 0.02 . 2 . . . . 119 LYS HD2 . 6847 1 1395 . 1 1 119 119 LYS HE2 H 1 2.733 0.02 . 2 . . . . 119 LYS HE1 . 6847 1 1396 . 1 1 119 119 LYS HE3 H 1 2.915 0.02 . 2 . . . . 119 LYS HE2 . 6847 1 1397 . 1 1 119 119 LYS C C 13 176.083 0.3 . 1 . . . . 119 LYS C . 6847 1 1398 . 1 1 119 119 LYS CA C 13 58.540 0.3 . 1 . . . . 119 LYS CA . 6847 1 1399 . 1 1 119 119 LYS CB C 13 32.230 0.3 . 1 . . . . 119 LYS CB . 6847 1 1400 . 1 1 119 119 LYS CG C 13 23.800 0.3 . 1 . . . . 119 LYS CG . 6847 1 1401 . 1 1 119 119 LYS CD C 13 29.853 0.3 . 1 . . . . 119 LYS CD . 6847 1 1402 . 1 1 119 119 LYS CE C 13 41.941 0.3 . 1 . . . . 119 LYS CE . 6847 1 1403 . 1 1 119 119 LYS N N 15 118.878 0.02 . 1 . . . . 119 LYS N . 6847 1 1404 . 1 1 120 120 THR H H 1 8.266 0.02 . 1 . . . . 120 THR HN . 6847 1 1405 . 1 1 120 120 THR HA H 1 4.549 0.02 . 1 . . . . 120 THR HA . 6847 1 1406 . 1 1 120 120 THR HB H 1 4.411 0.02 . 1 . . . . 120 THR HB . 6847 1 1407 . 1 1 120 120 THR HG21 H 1 1.180 0.02 . 1 . . . . 120 THR HG2 . 6847 1 1408 . 1 1 120 120 THR HG22 H 1 1.180 0.02 . 1 . . . . 120 THR HG2 . 6847 1 1409 . 1 1 120 120 THR HG23 H 1 1.180 0.02 . 1 . . . . 120 THR HG2 . 6847 1 1410 . 1 1 120 120 THR C C 13 175.907 0.3 . 1 . . . . 120 THR C . 6847 1 1411 . 1 1 120 120 THR CA C 13 61.730 0.3 . 1 . . . . 120 THR CA . 6847 1 1412 . 1 1 120 120 THR CB C 13 69.569 0.3 . 1 . . . . 120 THR CB . 6847 1 1413 . 1 1 120 120 THR CG2 C 13 22.230 0.3 . 1 . . . . 120 THR CG2 . 6847 1 1414 . 1 1 120 120 THR N N 15 111.378 0.02 . 1 . . . . 120 THR N . 6847 1 1415 . 1 1 121 121 GLY H H 1 8.557 0.02 . 1 . . . . 121 GLY HN . 6847 1 1416 . 1 1 121 121 GLY HA2 H 1 4.260 0.02 . 2 . . . . 121 GLY HA1 . 6847 1 1417 . 1 1 121 121 GLY HA3 H 1 3.504 0.02 . 2 . . . . 121 GLY HA2 . 6847 1 1418 . 1 1 121 121 GLY C C 13 172.650 0.3 . 1 . . . . 121 GLY C . 6847 1 1419 . 1 1 121 121 GLY CA C 13 45.730 0.3 . 1 . . . . 121 GLY CA . 6847 1 1420 . 1 1 121 121 GLY N N 15 110.260 0.02 . 1 . . . . 121 GLY N . 6847 1 1421 . 1 1 122 122 GLN H H 1 7.892 0.02 . 1 . . . . 122 GLN HN . 6847 1 1422 . 1 1 122 122 GLN HA H 1 4.584 0.02 . 1 . . . . 122 GLN HA . 6847 1 1423 . 1 1 122 122 GLN HB2 H 1 2.056 0.02 . 2 . . . . 122 GLN HB1 . 6847 1 1424 . 1 1 122 122 GLN HB3 H 1 1.640 0.02 . 2 . . . . 122 GLN HB2 . 6847 1 1425 . 1 1 122 122 GLN HG2 H 1 2.300 0.02 . 2 . . . . 122 GLN HG1 . 6847 1 1426 . 1 1 122 122 GLN HG3 H 1 2.056 0.02 . 2 . . . . 122 GLN HG2 . 6847 1 1427 . 1 1 122 122 GLN HE21 H 1 7.600 0.02 . 2 . . . . 122 GLN HE21 . 6847 1 1428 . 1 1 122 122 GLN HE22 H 1 6.641 0.02 . 2 . . . . 122 GLN HE22 . 6847 1 1429 . 1 1 122 122 GLN C C 13 177.659 0.3 . 1 . . . . 122 GLN C . 6847 1 1430 . 1 1 122 122 GLN CA C 13 55.230 0.3 . 1 . . . . 122 GLN CA . 6847 1 1431 . 1 1 122 122 GLN CB C 13 30.480 0.3 . 1 . . . . 122 GLN CB . 6847 1 1432 . 1 1 122 122 GLN CG C 13 34.502 0.3 . 1 . . . . 122 GLN CG . 6847 1 1433 . 1 1 122 122 GLN N N 15 120.518 0.02 . 1 . . . . 122 GLN N . 6847 1 1434 . 1 1 122 122 GLN NE2 N 15 111.138 0.02 . 1 . . . . 122 GLN NE2 . 6847 1 1435 . 1 1 123 123 LEU H H 1 8.749 0.02 . 1 . . . . 123 LEU HN . 6847 1 1436 . 1 1 123 123 LEU HA H 1 3.673 0.02 . 1 . . . . 123 LEU HA . 6847 1 1437 . 1 1 123 123 LEU HB2 H 1 1.984 0.02 . 2 . . . . 123 LEU HB1 . 6847 1 1438 . 1 1 123 123 LEU HB3 H 1 1.357 0.02 . 2 . . . . 123 LEU HB2 . 6847 1 1439 . 1 1 123 123 LEU HG H 1 1.268 0.02 . 1 . . . . 123 LEU HG . 6847 1 1440 . 1 1 123 123 LEU HD11 H 1 0.800 0.02 . 2 . . . . 123 LEU HD1 . 6847 1 1441 . 1 1 123 123 LEU HD12 H 1 0.800 0.02 . 2 . . . . 123 LEU HD1 . 6847 1 1442 . 1 1 123 123 LEU HD13 H 1 0.800 0.02 . 2 . . . . 123 LEU HD1 . 6847 1 1443 . 1 1 123 123 LEU HD21 H 1 0.518 0.02 . 2 . . . . 123 LEU HD2 . 6847 1 1444 . 1 1 123 123 LEU HD22 H 1 0.518 0.02 . 2 . . . . 123 LEU HD2 . 6847 1 1445 . 1 1 123 123 LEU HD23 H 1 0.518 0.02 . 2 . . . . 123 LEU HD2 . 6847 1 1446 . 1 1 123 123 LEU C C 13 177.274 0.3 . 1 . . . . 123 LEU C . 6847 1 1447 . 1 1 123 123 LEU CA C 13 56.730 0.3 . 1 . . . . 123 LEU CA . 6847 1 1448 . 1 1 123 123 LEU CB C 13 40.980 0.3 . 1 . . . . 123 LEU CB . 6847 1 1449 . 1 1 123 123 LEU CG C 13 27.259 0.3 . 1 . . . . 123 LEU CG . 6847 1 1450 . 1 1 123 123 LEU CD1 C 13 26.230 0.3 . 1 . . . . 123 LEU CD1 . 6847 1 1451 . 1 1 123 123 LEU CD2 C 13 24.009 0.3 . 1 . . . . 123 LEU CD2 . 6847 1 1452 . 1 1 123 123 LEU N N 15 125.206 0.02 . 1 . . . . 123 LEU N . 6847 1 1453 . 1 1 124 124 ARG H H 1 9.477 0.02 . 1 . . . . 124 ARG HN . 6847 1 1454 . 1 1 124 124 ARG HA H 1 4.770 0.02 . 1 . . . . 124 ARG HA . 6847 1 1455 . 1 1 124 124 ARG HB2 H 1 1.471 0.02 . 2 . . . . 124 ARG HB1 . 6847 1 1456 . 1 1 124 124 ARG HB3 H 1 1.978 0.02 . 2 . . . . 124 ARG HB2 . 6847 1 1457 . 1 1 124 124 ARG HG2 H 1 1.671 0.02 . 2 . . . . 124 ARG HG1 . 6847 1 1458 . 1 1 124 124 ARG HG3 H 1 1.857 0.02 . 2 . . . . 124 ARG HG2 . 6847 1 1459 . 1 1 124 124 ARG HD2 H 1 3.022 0.02 . 2 . . . . 124 ARG HD1 . 6847 1 1460 . 1 1 124 124 ARG HD3 H 1 3.378 0.02 . 2 . . . . 124 ARG HD2 . 6847 1 1461 . 1 1 124 124 ARG C C 13 176.503 0.3 . 1 . . . . 124 ARG C . 6847 1 1462 . 1 1 124 124 ARG CA C 13 53.340 0.3 . 1 . . . . 124 ARG CA . 6847 1 1463 . 1 1 124 124 ARG CB C 13 31.430 0.3 . 1 . . . . 124 ARG CB . 6847 1 1464 . 1 1 124 124 ARG CG C 13 26.916 0.3 . 1 . . . . 124 ARG CG . 6847 1 1465 . 1 1 124 124 ARG CD C 13 40.008 0.3 . 1 . . . . 124 ARG CD . 6847 1 1466 . 1 1 124 124 ARG N N 15 127.087 0.02 . 1 . . . . 124 ARG N . 6847 1 1467 . 1 1 125 125 HIS H H 1 7.621 0.02 . 1 . . . . 125 HIS HN . 6847 1 1468 . 1 1 125 125 HIS HA H 1 4.796 0.02 . 1 . . . . 125 HIS HA . 6847 1 1469 . 1 1 125 125 HIS HB2 H 1 3.154 0.02 . 2 . . . . 125 HIS HB1 . 6847 1 1470 . 1 1 125 125 HIS HB3 H 1 2.295 0.02 . 2 . . . . 125 HIS HB2 . 6847 1 1471 . 1 1 125 125 HIS HD2 H 1 6.240 0.02 . 1 . . . . 125 HIS HD2 . 6847 1 1472 . 1 1 125 125 HIS C C 13 171.038 0.3 . 1 . . . . 125 HIS C . 6847 1 1473 . 1 1 125 125 HIS CA C 13 57.310 0.3 . 1 . . . . 125 HIS CA . 6847 1 1474 . 1 1 125 125 HIS CB C 13 34.237 0.3 . 1 . . . . 125 HIS CB . 6847 1 1475 . 1 1 125 125 HIS N N 15 117.002 0.02 . 1 . . . . 125 HIS N . 6847 1 1476 . 1 1 126 126 PHE H H 1 7.270 0.02 . 1 . . . . 126 PHE HN . 6847 1 1477 . 1 1 126 126 PHE HA H 1 5.278 0.02 . 1 . . . . 126 PHE HA . 6847 1 1478 . 1 1 126 126 PHE HB2 H 1 2.739 0.02 . 2 . . . . 126 PHE HB1 . 6847 1 1479 . 1 1 126 126 PHE HB3 H 1 2.397 0.02 . 2 . . . . 126 PHE HB2 . 6847 1 1480 . 1 1 126 126 PHE HD1 H 1 6.344 0.02 . 3 . . . . 126 PHE HD1 . 6847 1 1481 . 1 1 126 126 PHE HE1 H 1 7.192 0.02 . 3 . . . . 126 PHE HE1 . 6847 1 1482 . 1 1 126 126 PHE C C 13 172.930 0.3 . 1 . . . . 126 PHE C . 6847 1 1483 . 1 1 126 126 PHE CA C 13 54.692 0.3 . 1 . . . . 126 PHE CA . 6847 1 1484 . 1 1 126 126 PHE CB C 13 43.300 0.3 . 1 . . . . 126 PHE CB . 6847 1 1485 . 1 1 126 126 PHE CD1 C 13 132.290 0.3 . 3 . . . . 126 PHE CD1 . 6847 1 1486 . 1 1 126 126 PHE N N 15 127.438 0.02 . 1 . . . . 126 PHE N . 6847 1 1487 . 1 1 127 127 GLN H H 1 7.737 0.02 . 1 . . . . 127 GLN HN . 6847 1 1488 . 1 1 127 127 GLN HA H 1 3.798 0.02 . 1 . . . . 127 GLN HA . 6847 1 1489 . 1 1 127 127 GLN HB2 H 1 1.818 0.02 . 2 . . . . 127 GLN HB1 . 6847 1 1490 . 1 1 127 127 GLN HB3 H 1 1.927 0.02 . 2 . . . . 127 GLN HB2 . 6847 1 1491 . 1 1 127 127 GLN C C 13 171.354 0.3 . 1 . . . . 127 GLN C . 6847 1 1492 . 1 1 127 127 GLN CA C 13 54.490 0.3 . 1 . . . . 127 GLN CA . 6847 1 1493 . 1 1 127 127 GLN CB C 13 33.050 0.3 . 1 . . . . 127 GLN CB . 6847 1 1494 . 1 1 127 127 GLN CG C 13 36.329 0.3 . 1 . . . . 127 GLN CG . 6847 1 1495 . 1 1 127 127 GLN N N 15 120.284 0.02 . 1 . . . . 127 GLN N . 6847 1 1496 . 1 1 128 128 ALA H H 1 8.393 0.02 . 1 . . . . 128 ALA HN . 6847 1 1497 . 1 1 128 128 ALA HA H 1 4.818 0.02 . 1 . . . . 128 ALA HA . 6847 1 1498 . 1 1 128 128 ALA HB1 H 1 1.356 0.02 . 1 . . . . 128 ALA HB . 6847 1 1499 . 1 1 128 128 ALA HB2 H 1 1.356 0.02 . 1 . . . . 128 ALA HB . 6847 1 1500 . 1 1 128 128 ALA HB3 H 1 1.356 0.02 . 1 . . . . 128 ALA HB . 6847 1 1501 . 1 1 128 128 ALA C C 13 177.274 0.3 . 1 . . . . 128 ALA C . 6847 1 1502 . 1 1 128 128 ALA CA C 13 51.260 0.3 . 1 . . . . 128 ALA CA . 6847 1 1503 . 1 1 128 128 ALA CB C 13 22.479 0.3 . 1 . . . . 128 ALA CB . 6847 1 1504 . 1 1 128 128 ALA N N 15 123.799 0.02 . 1 . . . . 128 ALA N . 6847 1 1505 . 1 1 129 129 GLY H H 1 8.111 0.02 . 1 . . . . 129 GLY HN . 6847 1 1506 . 1 1 129 129 GLY HA2 H 1 3.765 0.02 . 2 . . . . 129 GLY HA1 . 6847 1 1507 . 1 1 129 129 GLY HA3 H 1 4.333 0.02 . 2 . . . . 129 GLY HA2 . 6847 1 1508 . 1 1 129 129 GLY C C 13 175.032 0.3 . 1 . . . . 129 GLY C . 6847 1 1509 . 1 1 129 129 GLY CA C 13 44.730 0.3 . 1 . . . . 129 GLY CA . 6847 1 1510 . 1 1 129 129 GLY N N 15 106.456 0.02 . 1 . . . . 129 GLY N . 6847 1 1511 . 1 1 130 130 GLY H H 1 8.563 0.02 . 1 . . . . 130 GLY HN . 6847 1 1512 . 1 1 130 130 GLY HA2 H 1 3.887 0.02 . 2 . . . . 130 GLY HA1 . 6847 1 1513 . 1 1 130 130 GLY HA3 H 1 4.081 0.02 . 2 . . . . 130 GLY HA2 . 6847 1 1514 . 1 1 130 130 GLY CA C 13 45.660 0.3 . 1 . . . . 130 GLY CA . 6847 1 1515 . 1 1 130 130 GLY N N 15 107.774 0.02 . 1 . . . . 130 GLY N . 6847 1 1516 . 1 1 131 131 SER HA H 1 4.350 0.02 . 1 . . . . 131 SER HA . 6847 1 1517 . 1 1 131 131 SER HB2 H 1 3.860 0.02 . 2 . . . . 131 SER HB1 . 6847 1 1518 . 1 1 131 131 SER HB3 H 1 4.060 0.02 . 2 . . . . 131 SER HB2 . 6847 1 1519 . 1 1 131 131 SER CA C 13 58.411 0.3 . 1 . . . . 131 SER CA . 6847 1 1520 . 1 1 131 131 SER CB C 13 62.980 0.3 . 1 . . . . 131 SER CB . 6847 1 1521 . 1 1 132 132 GLY H H 1 8.715 0.02 . 1 . . . . 132 GLY HN . 6847 1 1522 . 1 1 132 132 GLY HA2 H 1 4.080 0.02 . 2 . . . . 132 GLY HA1 . 6847 1 1523 . 1 1 132 132 GLY HA3 H 1 3.888 0.02 . 2 . . . . 132 GLY HA2 . 6847 1 1524 . 1 1 132 132 GLY CA C 13 45.980 0.3 . 1 . . . . 132 GLY CA . 6847 1 1525 . 1 1 132 132 GLY N N 15 123.250 0.02 . 1 . . . . 132 GLY N . 6847 1 1526 . 1 1 133 133 MET HA H 1 4.396 0.02 . 1 . . . . 133 MET HA . 6847 1 1527 . 1 1 133 133 MET HB2 H 1 1.914 0.02 . 2 . . . . 133 MET HB1 . 6847 1 1528 . 1 1 133 133 MET HB3 H 1 1.984 0.02 . 2 . . . . 133 MET HB2 . 6847 1 1529 . 1 1 133 133 MET HG2 H 1 2.477 0.02 . 2 . . . . 133 MET HG1 . 6847 1 1530 . 1 1 133 133 MET HG3 H 1 2.539 0.02 . 2 . . . . 133 MET HG2 . 6847 1 1531 . 1 1 133 133 MET HE1 H 1 1.457 0.02 . 1 . . . . 133 MET HE . 6847 1 1532 . 1 1 133 133 MET HE2 H 1 1.457 0.02 . 1 . . . . 133 MET HE . 6847 1 1533 . 1 1 133 133 MET HE3 H 1 1.457 0.02 . 1 . . . . 133 MET HE . 6847 1 1534 . 1 1 133 133 MET CG C 13 31.712 0.3 . 1 . . . . 133 MET CG . 6847 1 1535 . 1 1 133 133 MET CE C 13 17.979 0.3 . 1 . . . . 133 MET CE . 6847 1 1536 . 1 1 134 134 LYS HD2 H 1 1.390 0.02 . 2 . . . . 134 LYS HD1 . 6847 1 1537 . 1 1 134 134 LYS HE2 H 1 2.725 0.02 . 2 . . . . 134 LYS HE1 . 6847 1 1538 . 1 1 134 134 LYS HE3 H 1 2.902 0.02 . 2 . . . . 134 LYS HE2 . 6847 1 1539 . 1 1 134 134 LYS CA C 13 57.350 0.3 . 1 . . . . 134 LYS CA . 6847 1 1540 . 1 1 134 134 LYS CB C 13 32.260 0.3 . 1 . . . . 134 LYS CB . 6847 1 1541 . 1 1 134 134 LYS CD C 13 25.602 0.3 . 1 . . . . 134 LYS CD . 6847 1 1542 . 1 1 134 134 LYS CE C 13 41.675 0.3 . 1 . . . . 134 LYS CE . 6847 1 1543 . 1 1 135 135 MET H H 1 7.712 0.02 . 1 . . . . 135 MET HN . 6847 1 1544 . 1 1 135 135 MET HA H 1 4.098 0.02 . 1 . . . . 135 MET HA . 6847 1 1545 . 1 1 135 135 MET HB2 H 1 2.477 0.02 . 2 . . . . 135 MET HB1 . 6847 1 1546 . 1 1 135 135 MET HB3 H 1 2.393 0.02 . 2 . . . . 135 MET HB2 . 6847 1 1547 . 1 1 135 135 MET HE1 H 1 2.070 0.02 . 1 . . . . 135 MET HE . 6847 1 1548 . 1 1 135 135 MET HE2 H 1 2.070 0.02 . 1 . . . . 135 MET HE . 6847 1 1549 . 1 1 135 135 MET HE3 H 1 2.070 0.02 . 1 . . . . 135 MET HE . 6847 1 1550 . 1 1 135 135 MET CA C 13 57.980 0.3 . 1 . . . . 135 MET CA . 6847 1 1551 . 1 1 135 135 MET CB C 13 31.720 0.3 . 1 . . . . 135 MET CB . 6847 1 1552 . 1 1 135 135 MET CG C 13 36.748 0.3 . 1 . . . . 135 MET CG . 6847 1 1553 . 1 1 135 135 MET CE C 13 16.729 0.3 . 1 . . . . 135 MET CE . 6847 1 1554 . 1 1 135 135 MET N N 15 120.752 0.02 . 1 . . . . 135 MET N . 6847 1 1555 . 1 1 136 136 LEU H H 1 7.482 0.02 . 1 . . . . 136 LEU HN . 6847 1 1556 . 1 1 136 136 LEU HA H 1 3.625 0.02 . 1 . . . . 136 LEU HA . 6847 1 1557 . 1 1 136 136 LEU HB2 H 1 1.826 0.02 . 2 . . . . 136 LEU HB1 . 6847 1 1558 . 1 1 136 136 LEU HB3 H 1 1.196 0.02 . 2 . . . . 136 LEU HB2 . 6847 1 1559 . 1 1 136 136 LEU HG H 1 1.182 0.02 . 1 . . . . 136 LEU HG . 6847 1 1560 . 1 1 136 136 LEU HD11 H 1 0.575 0.02 . 2 . . . . 136 LEU HD1 . 6847 1 1561 . 1 1 136 136 LEU HD12 H 1 0.575 0.02 . 2 . . . . 136 LEU HD1 . 6847 1 1562 . 1 1 136 136 LEU HD13 H 1 0.575 0.02 . 2 . . . . 136 LEU HD1 . 6847 1 1563 . 1 1 136 136 LEU HD21 H 1 0.250 0.02 . 2 . . . . 136 LEU HD2 . 6847 1 1564 . 1 1 136 136 LEU HD22 H 1 0.250 0.02 . 2 . . . . 136 LEU HD2 . 6847 1 1565 . 1 1 136 136 LEU HD23 H 1 0.250 0.02 . 2 . . . . 136 LEU HD2 . 6847 1 1566 . 1 1 136 136 LEU C C 13 178.184 0.3 . 1 . . . . 136 LEU C . 6847 1 1567 . 1 1 136 136 LEU CA C 13 58.330 0.3 . 1 . . . . 136 LEU CA . 6847 1 1568 . 1 1 136 136 LEU CB C 13 40.480 0.3 . 1 . . . . 136 LEU CB . 6847 1 1569 . 1 1 136 136 LEU CG C 13 26.533 0.3 . 1 . . . . 136 LEU CG . 6847 1 1570 . 1 1 136 136 LEU CD1 C 13 23.730 0.3 . 1 . . . . 136 LEU CD1 . 6847 1 1571 . 1 1 136 136 LEU CD2 C 13 25.730 0.3 . 1 . . . . 136 LEU CD2 . 6847 1 1572 . 1 1 136 136 LEU N N 15 121.455 0.02 . 1 . . . . 136 LEU N . 6847 1 1573 . 1 1 137 137 GLU H H 1 8.100 0.02 . 1 . . . . 137 GLU HN . 6847 1 1574 . 1 1 137 137 GLU HA H 1 3.395 0.02 . 1 . . . . 137 GLU HA . 6847 1 1575 . 1 1 137 137 GLU HB2 H 1 2.120 0.02 . 2 . . . . 137 GLU HB1 . 6847 1 1576 . 1 1 137 137 GLU HB3 H 1 2.057 0.02 . 2 . . . . 137 GLU HB2 . 6847 1 1577 . 1 1 137 137 GLU HG2 H 1 2.176 0.02 . 2 . . . . 137 GLU HG1 . 6847 1 1578 . 1 1 137 137 GLU HG3 H 1 2.096 0.02 . 2 . . . . 137 GLU HG2 . 6847 1 1579 . 1 1 137 137 GLU C C 13 177.974 0.3 . 1 . . . . 137 GLU C . 6847 1 1580 . 1 1 137 137 GLU CA C 13 60.005 0.3 . 1 . . . . 137 GLU CA . 6847 1 1581 . 1 1 137 137 GLU CB C 13 29.480 0.3 . 1 . . . . 137 GLU CB . 6847 1 1582 . 1 1 137 137 GLU CG C 13 36.230 0.3 . 1 . . . . 137 GLU CG . 6847 1 1583 . 1 1 137 137 GLU N N 15 119.112 0.02 . 1 . . . . 137 GLU N . 6847 1 1584 . 1 1 138 138 LYS H H 1 7.650 0.02 . 1 . . . . 138 LYS HN . 6847 1 1585 . 1 1 138 138 LYS HA H 1 3.978 0.02 . 1 . . . . 138 LYS HA . 6847 1 1586 . 1 1 138 138 LYS HB2 H 1 1.915 0.02 . 2 . . . . 138 LYS HB1 . 6847 1 1587 . 1 1 138 138 LYS HB3 H 1 1.845 0.02 . 2 . . . . 138 LYS HB2 . 6847 1 1588 . 1 1 138 138 LYS HG2 H 1 1.366 0.02 . 2 . . . . 138 LYS HG1 . 6847 1 1589 . 1 1 138 138 LYS HG3 H 1 1.548 0.02 . 2 . . . . 138 LYS HG2 . 6847 1 1590 . 1 1 138 138 LYS HD2 H 1 1.636 0.02 . 2 . . . . 138 LYS HD2 . 6847 1 1591 . 1 1 138 138 LYS HE2 H 1 2.885 0.02 . 2 . . . . 138 LYS HE2 . 6847 1 1592 . 1 1 138 138 LYS C C 13 180.041 0.3 . 1 . . . . 138 LYS C . 6847 1 1593 . 1 1 138 138 LYS CA C 13 59.740 0.3 . 1 . . . . 138 LYS CA . 6847 1 1594 . 1 1 138 138 LYS CB C 13 32.310 0.3 . 1 . . . . 138 LYS CB . 6847 1 1595 . 1 1 138 138 LYS CG C 13 25.213 0.3 . 1 . . . . 138 LYS CG . 6847 1 1596 . 1 1 138 138 LYS CD C 13 29.450 0.3 . 1 . . . . 138 LYS CD . 6847 1 1597 . 1 1 138 138 LYS CE C 13 42.142 0.3 . 1 . . . . 138 LYS CE . 6847 1 1598 . 1 1 138 138 LYS N N 15 119.080 0.02 . 1 . . . . 138 LYS N . 6847 1 1599 . 1 1 139 139 ARG H H 1 7.930 0.02 . 1 . . . . 139 ARG HN . 6847 1 1600 . 1 1 139 139 ARG HA H 1 3.865 0.02 . 1 . . . . 139 ARG HA . 6847 1 1601 . 1 1 139 139 ARG HB2 H 1 1.495 0.02 . 2 . . . . 139 ARG HB1 . 6847 1 1602 . 1 1 139 139 ARG HB3 H 1 1.197 0.02 . 2 . . . . 139 ARG HB2 . 6847 1 1603 . 1 1 139 139 ARG HG2 H 1 0.057 0.02 . 2 . . . . 139 ARG HG1 . 6847 1 1604 . 1 1 139 139 ARG HG3 H 1 1.401 0.02 . 2 . . . . 139 ARG HG2 . 6847 1 1605 . 1 1 139 139 ARG HD2 H 1 2.878 0.02 . 2 . . . . 139 ARG HD1 . 6847 1 1606 . 1 1 139 139 ARG HD3 H 1 2.731 0.02 . 2 . . . . 139 ARG HD2 . 6847 1 1607 . 1 1 139 139 ARG C C 13 179.410 0.3 . 1 . . . . 139 ARG C . 6847 1 1608 . 1 1 139 139 ARG CA C 13 57.349 0.3 . 1 . . . . 139 ARG CA . 6847 1 1609 . 1 1 139 139 ARG CB C 13 29.040 0.3 . 1 . . . . 139 ARG CB . 6847 1 1610 . 1 1 139 139 ARG CG C 13 25.479 0.3 . 1 . . . . 139 ARG CG . 6847 1 1611 . 1 1 139 139 ARG CD C 13 41.480 0.3 . 1 . . . . 139 ARG CD . 6847 1 1612 . 1 1 139 139 ARG N N 15 119.112 0.02 . 1 . . . . 139 ARG N . 6847 1 1613 . 1 1 140 140 VAL H H 1 8.504 0.02 . 1 . . . . 140 VAL HN . 6847 1 1614 . 1 1 140 140 VAL HA H 1 3.299 0.02 . 1 . . . . 140 VAL HA . 6847 1 1615 . 1 1 140 140 VAL HB H 1 1.892 0.02 . 1 . . . . 140 VAL HB . 6847 1 1616 . 1 1 140 140 VAL HG11 H 1 0.668 0.02 . 2 . . . . 140 VAL HG1 . 6847 1 1617 . 1 1 140 140 VAL HG12 H 1 0.668 0.02 . 2 . . . . 140 VAL HG1 . 6847 1 1618 . 1 1 140 140 VAL HG13 H 1 0.668 0.02 . 2 . . . . 140 VAL HG1 . 6847 1 1619 . 1 1 140 140 VAL HG21 H 1 0.438 0.02 . 2 . . . . 140 VAL HG2 . 6847 1 1620 . 1 1 140 140 VAL HG22 H 1 0.438 0.02 . 2 . . . . 140 VAL HG2 . 6847 1 1621 . 1 1 140 140 VAL HG23 H 1 0.438 0.02 . 2 . . . . 140 VAL HG2 . 6847 1 1622 . 1 1 140 140 VAL C C 13 177.204 0.3 . 1 . . . . 140 VAL C . 6847 1 1623 . 1 1 140 140 VAL CA C 13 67.178 0.3 . 1 . . . . 140 VAL CA . 6847 1 1624 . 1 1 140 140 VAL CB C 13 31.230 0.3 . 1 . . . . 140 VAL CB . 6847 1 1625 . 1 1 140 140 VAL CG1 C 13 23.730 0.3 . 1 . . . . 140 VAL CG1 . 6847 1 1626 . 1 1 140 140 VAL CG2 C 13 21.485 0.3 . 1 . . . . 140 VAL CG2 . 6847 1 1627 . 1 1 140 140 VAL N N 15 121.640 0.02 . 1 . . . . 140 VAL N . 6847 1 1628 . 1 1 141 141 ASN H H 1 8.392 0.02 . 1 . . . . 141 ASN HN . 6847 1 1629 . 1 1 141 141 ASN HA H 1 4.205 0.02 . 1 . . . . 141 ASN HA . 6847 1 1630 . 1 1 141 141 ASN HB2 H 1 2.846 0.02 . 2 . . . . 141 ASN HB1 . 6847 1 1631 . 1 1 141 141 ASN HB3 H 1 2.679 0.02 . 2 . . . . 141 ASN HB2 . 6847 1 1632 . 1 1 141 141 ASN HD21 H 1 7.318 0.02 . 2 . . . . 141 ASN HD21 . 6847 1 1633 . 1 1 141 141 ASN HD22 H 1 7.086 0.02 . 2 . . . . 141 ASN HD22 . 6847 1 1634 . 1 1 141 141 ASN C C 13 178.149 0.3 . 1 . . . . 141 ASN C . 6847 1 1635 . 1 1 141 141 ASN CA C 13 56.685 0.3 . 1 . . . . 141 ASN CA . 6847 1 1636 . 1 1 141 141 ASN CB C 13 38.090 0.3 . 1 . . . . 141 ASN CB . 6847 1 1637 . 1 1 141 141 ASN N N 15 118.410 0.02 . 1 . . . . 141 ASN N . 6847 1 1638 . 1 1 141 141 ASN ND2 N 15 111.377 0.02 . 1 . . . . 141 ASN ND2 . 6847 1 1639 . 1 1 142 142 ARG H H 1 7.710 0.02 . 1 . . . . 142 ARG HN . 6847 1 1640 . 1 1 142 142 ARG HA H 1 4.088 0.02 . 1 . . . . 142 ARG HA . 6847 1 1641 . 1 1 142 142 ARG HB2 H 1 1.944 0.02 . 2 . . . . 142 ARG HB2 . 6847 1 1642 . 1 1 142 142 ARG HG2 H 1 1.727 0.02 . 2 . . . . 142 ARG HG1 . 6847 1 1643 . 1 1 142 142 ARG HG3 H 1 1.695 0.02 . 2 . . . . 142 ARG HG2 . 6847 1 1644 . 1 1 142 142 ARG HD2 H 1 3.139 0.02 . 2 . . . . 142 ARG HD2 . 6847 1 1645 . 1 1 142 142 ARG C C 13 178.675 0.3 . 1 . . . . 142 ARG C . 6847 1 1646 . 1 1 142 142 ARG CA C 13 59.180 0.3 . 1 . . . . 142 ARG CA . 6847 1 1647 . 1 1 142 142 ARG CB C 13 29.979 0.3 . 1 . . . . 142 ARG CB . 6847 1 1648 . 1 1 142 142 ARG CG C 13 27.007 0.3 . 1 . . . . 142 ARG CG . 6847 1 1649 . 1 1 142 142 ARG CD C 13 43.268 0.3 . 1 . . . . 142 ARG CD . 6847 1 1650 . 1 1 142 142 ARG N N 15 120.000 0.02 . 1 . . . . 142 ARG N . 6847 1 1651 . 1 1 143 143 VAL H H 1 7.486 0.02 . 1 . . . . 143 VAL HN . 6847 1 1652 . 1 1 143 143 VAL HA H 1 3.925 0.02 . 1 . . . . 143 VAL HA . 6847 1 1653 . 1 1 143 143 VAL HB H 1 2.145 0.02 . 1 . . . . 143 VAL HB . 6847 1 1654 . 1 1 143 143 VAL HG11 H 1 0.957 0.02 . 2 . . . . 143 VAL HG1 . 6847 1 1655 . 1 1 143 143 VAL HG12 H 1 0.957 0.02 . 2 . . . . 143 VAL HG1 . 6847 1 1656 . 1 1 143 143 VAL HG13 H 1 0.957 0.02 . 2 . . . . 143 VAL HG1 . 6847 1 1657 . 1 1 143 143 VAL HG21 H 1 0.931 0.02 . 2 . . . . 143 VAL HG2 . 6847 1 1658 . 1 1 143 143 VAL HG22 H 1 0.931 0.02 . 2 . . . . 143 VAL HG2 . 6847 1 1659 . 1 1 143 143 VAL HG23 H 1 0.931 0.02 . 2 . . . . 143 VAL HG2 . 6847 1 1660 . 1 1 143 143 VAL C C 13 178.990 0.3 . 1 . . . . 143 VAL C . 6847 1 1661 . 1 1 143 143 VAL CA C 13 65.584 0.3 . 1 . . . . 143 VAL CA . 6847 1 1662 . 1 1 143 143 VAL CB C 13 31.479 0.3 . 1 . . . . 143 VAL CB . 6847 1 1663 . 1 1 143 143 VAL CG1 C 13 22.479 0.3 . 1 . . . . 143 VAL CG1 . 6847 1 1664 . 1 1 143 143 VAL CG2 C 13 21.730 0.3 . 1 . . . . 143 VAL CG2 . 6847 1 1665 . 1 1 143 143 VAL N N 15 117.940 0.02 . 1 . . . . 143 VAL N . 6847 1 1666 . 1 1 144 144 LEU H H 1 8.170 0.02 . 1 . . . . 144 LEU HN . 6847 1 1667 . 1 1 144 144 LEU HA H 1 4.063 0.02 . 1 . . . . 144 LEU HA . 6847 1 1668 . 1 1 144 144 LEU HB2 H 1 1.415 0.02 . 2 . . . . 144 LEU HB1 . 6847 1 1669 . 1 1 144 144 LEU HB3 H 1 1.808 0.02 . 2 . . . . 144 LEU HB2 . 6847 1 1670 . 1 1 144 144 LEU HG H 1 1.553 0.02 . 1 . . . . 144 LEU HG . 6847 1 1671 . 1 1 144 144 LEU HD11 H 1 0.754 0.02 . 2 . . . . 144 LEU HD1 . 6847 1 1672 . 1 1 144 144 LEU HD12 H 1 0.754 0.02 . 2 . . . . 144 LEU HD1 . 6847 1 1673 . 1 1 144 144 LEU HD13 H 1 0.754 0.02 . 2 . . . . 144 LEU HD1 . 6847 1 1674 . 1 1 144 144 LEU HD21 H 1 0.388 0.02 . 2 . . . . 144 LEU HD2 . 6847 1 1675 . 1 1 144 144 LEU HD22 H 1 0.388 0.02 . 2 . . . . 144 LEU HD2 . 6847 1 1676 . 1 1 144 144 LEU HD23 H 1 0.388 0.02 . 2 . . . . 144 LEU HD2 . 6847 1 1677 . 1 1 144 144 LEU C C 13 178.394 0.3 . 1 . . . . 144 LEU C . 6847 1 1678 . 1 1 144 144 LEU CA C 13 57.420 0.3 . 1 . . . . 144 LEU CA . 6847 1 1679 . 1 1 144 144 LEU CB C 13 41.730 0.3 . 1 . . . . 144 LEU CB . 6847 1 1680 . 1 1 144 144 LEU CG C 13 26.729 0.3 . 1 . . . . 144 LEU CG . 6847 1 1681 . 1 1 144 144 LEU CD1 C 13 24.000 0.3 . 1 . . . . 144 LEU CD1 . 6847 1 1682 . 1 1 144 144 LEU CD2 C 13 25.730 0.3 . 1 . . . . 144 LEU CD2 . 6847 1 1683 . 1 1 144 144 LEU N N 15 121.924 0.02 . 1 . . . . 144 LEU N . 6847 1 1684 . 1 1 145 145 ALA H H 1 7.585 0.02 . 1 . . . . 145 ALA HN . 6847 1 1685 . 1 1 145 145 ALA HA H 1 4.303 0.02 . 1 . . . . 145 ALA HA . 6847 1 1686 . 1 1 145 145 ALA HB1 H 1 1.476 0.02 . 1 . . . . 145 ALA HB . 6847 1 1687 . 1 1 145 145 ALA HB2 H 1 1.476 0.02 . 1 . . . . 145 ALA HB . 6847 1 1688 . 1 1 145 145 ALA HB3 H 1 1.476 0.02 . 1 . . . . 145 ALA HB . 6847 1 1689 . 1 1 145 145 ALA C C 13 178.149 0.3 . 1 . . . . 145 ALA C . 6847 1 1690 . 1 1 145 145 ALA CA C 13 52.965 0.3 . 1 . . . . 145 ALA CA . 6847 1 1691 . 1 1 145 145 ALA CB C 13 19.094 0.3 . 1 . . . . 145 ALA CB . 6847 1 1692 . 1 1 145 145 ALA N N 15 120.518 0.02 . 1 . . . . 145 ALA N . 6847 1 1693 . 1 1 146 146 GLU H H 1 7.559 0.02 . 1 . . . . 146 GLU HN . 6847 1 1694 . 1 1 146 146 GLU HA H 1 4.288 0.02 . 1 . . . . 146 GLU HA . 6847 1 1695 . 1 1 146 146 GLU HB2 H 1 2.167 0.02 . 2 . . . . 146 GLU HB1 . 6847 1 1696 . 1 1 146 146 GLU HG2 H 1 2.555 0.02 . 2 . . . . 146 GLU HG1 . 6847 1 1697 . 1 1 146 146 GLU HG3 H 1 2.325 0.02 . 2 . . . . 146 GLU HG2 . 6847 1 1698 . 1 1 146 146 GLU C C 13 176.853 0.3 . 1 . . . . 146 GLU C . 6847 1 1699 . 1 1 146 146 GLU CA C 13 57.230 0.3 . 1 . . . . 146 GLU CA . 6847 1 1700 . 1 1 146 146 GLU CB C 13 29.540 0.3 . 1 . . . . 146 GLU CB . 6847 1 1701 . 1 1 146 146 GLU CG C 13 36.730 0.3 . 1 . . . . 146 GLU CG . 6847 1 1702 . 1 1 146 146 GLU N N 15 118.654 0.02 . 1 . . . . 146 GLU N . 6847 1 1703 . 1 1 147 147 THR H H 1 8.012 0.02 . 1 . . . . 147 THR HN . 6847 1 1704 . 1 1 147 147 THR HA H 1 4.390 0.02 . 1 . . . . 147 THR HA . 6847 1 1705 . 1 1 147 147 THR HB H 1 4.337 0.02 . 1 . . . . 147 THR HB . 6847 1 1706 . 1 1 147 147 THR HG21 H 1 1.263 0.02 . 1 . . . . 147 THR HG2 . 6847 1 1707 . 1 1 147 147 THR HG22 H 1 1.263 0.02 . 1 . . . . 147 THR HG2 . 6847 1 1708 . 1 1 147 147 THR HG23 H 1 1.263 0.02 . 1 . . . . 147 THR HG2 . 6847 1 1709 . 1 1 147 147 THR C C 13 173.876 0.3 . 1 . . . . 147 THR C . 6847 1 1710 . 1 1 147 147 THR CA C 13 61.980 0.3 . 1 . . . . 147 THR CA . 6847 1 1711 . 1 1 147 147 THR CB C 13 69.968 0.3 . 1 . . . . 147 THR CB . 6847 1 1712 . 1 1 147 147 THR CG2 C 13 21.730 0.3 . 1 . . . . 147 THR CG2 . 6847 1 1713 . 1 1 147 147 THR N N 15 115.356 0.02 . 1 . . . . 147 THR N . 6847 1 1714 . 1 1 148 148 GLU H H 1 7.982 0.02 . 1 . . . . 148 GLU HN . 6847 1 1715 . 1 1 148 148 GLU HA H 1 4.133 0.02 . 1 . . . . 148 GLU HA . 6847 1 1716 . 1 1 148 148 GLU HB2 H 1 2.060 0.02 . 2 . . . . 148 GLU HB1 . 6847 1 1717 . 1 1 148 148 GLU HB3 H 1 1.908 0.02 . 2 . . . . 148 GLU HB2 . 6847 1 1718 . 1 1 148 148 GLU HG2 H 1 2.214 0.02 . 2 . . . . 148 GLU HG2 . 6847 1 1719 . 1 1 148 148 GLU C C 13 175.297 0.3 . 1 . . . . 148 GLU C . 6847 1 1720 . 1 1 148 148 GLU CA C 13 58.230 0.3 . 1 . . . . 148 GLU CA . 6847 1 1721 . 1 1 148 148 GLU CB C 13 31.000 0.3 . 1 . . . . 148 GLU CB . 6847 1 1722 . 1 1 148 148 GLU CG C 13 36.827 0.3 . 1 . . . . 148 GLU CG . 6847 1 1723 . 1 1 148 148 GLU N N 15 128.953 0.02 . 1 . . . . 148 GLU N . 6847 1 stop_ save_