data_5624 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5624 _Entry.Title ; A Conserved Structural Motif at the N-terminal of Bacterial Translation Initiation Factor IF2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-12-16 _Entry.Accession_date 2002-12-16 _Entry.Last_release_date 2003-02-28 _Entry.Original_release_date 2003-02-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Brian Laursen . S. . 5624 2 Kim Mortensen . K. . 5624 3 Hans Sperling-Petersen . U. . 5624 4 David Hoffman . W. . 5624 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5624 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 753 5624 '13C chemical shifts' 374 5624 '15N chemical shifts' 107 5624 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 . . 2003-02-28 2002-12-16 original author . 5624 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5624 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12600987 _Citation.Full_citation . _Citation.Title ; A Conserved Structural Motif at the N-terminal of Bacterial Translation Initiation Factor IF2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 278 _Citation.Journal_issue 18 _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 16320 _Citation.Page_last 16328 _Citation.Year 2003 _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 Brian Laursen . S. . 5624 1 2 Kim Mortensen . K. . 5624 1 3 Hans Sperling-Petersen . U. . 5624 1 4 David Hoffman . W. . 5624 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID IF2 5624 1 'translation factor' 5624 1 initiation 5624 1 infb 5624 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_IF2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_IF2 _Assembly.Entry_ID 5624 _Assembly.ID 1 _Assembly.Name 'translation initiation factor IF2' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5624 1 stop_ 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 'translation factor IF2' 1 $IF2 . . . native . . . . . 5624 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes pdb 1ND9 . . . . . 'Chemical shifts for residues 2-157 deposited here. Only residues 2-50 occur in the pdb entry' 5624 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'translation initiation factor IF2' system 5624 1 IF2 abbreviation 5624 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IF2 _Entity.Sf_category entity _Entity.Sf_framecode IF2 _Entity.Entry_ID 5624 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Translation factor IF2' _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 ; TDVTIKTLAAERQTSVERLV QQFADAGIRKSADDSVSAQE KQTLIDHLNQKNSGPDKLTL QRKTRSTLNIPGTGGKSKSV QIEVRKKRTFVKRDPQEAER LAAEEQAQREAEEQARREAE ESAKREAQQKAEREAAEQAK REAAEQAKREAAEKDK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _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 DBJ BAB37472 . "protein chain initiation factor IF-2 [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 890 100.00 100.00 4.39e-93 . . . . 5624 1 2 no DBJ BAE77214 . "fused protein chain initiation factor 2, IF2 [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 890 100.00 100.00 4.39e-93 . . . . 5624 1 3 no DBJ BAG78978 . "translation initiation factor IF-1 [Escherichia coli SE11]" . . . . . 100.00 890 100.00 100.00 4.39e-93 . . . . 5624 1 4 no DBJ BAI27448 . "protein chain initiation factor IF-2 [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 890 100.00 100.00 4.39e-93 . . . . 5624 1 5 no DBJ BAI32627 . "protein chain initiation factor IF-2 [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 890 100.00 100.00 4.39e-93 . . . . 5624 1 6 no EMBL CAA05529 . "initiation factor IF2-alpha [Escherichia coli]" . . . . . 100.00 890 100.00 100.00 4.39e-93 . . . . 5624 1 7 no EMBL CAA05532 . "Initiation factor IF2-alpha [Escherichia coli]" . . . . . 100.00 890 100.00 100.00 4.58e-93 . . . . 5624 1 8 no EMBL CAA05535 . "Initiation factor IF2-alpha [Escherichia coli]" . . . . . 100.00 890 100.00 100.00 4.34e-93 . . . . 5624 1 9 no EMBL CAA05538 . "Initiation factor IF2-alpha [Escherichia coli]" . . . . . 100.00 890 100.00 100.00 4.58e-93 . . . . 5624 1 10 no EMBL CAA05541 . "Initiation factor IF2-alpha [Escherichia coli]" . . . . . 100.00 890 100.00 100.00 4.58e-93 . . . . 5624 1 11 no GB AAA57971 . "protein chain initiation factor 2 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 890 100.00 100.00 4.39e-93 . . . . 5624 1 12 no GB AAC76202 . "translation initiation factor IF-2 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 890 100.00 100.00 4.39e-93 . . . . 5624 1 13 no GB AAG58304 . "protein chain initiation factor IF-2 [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 890 100.00 100.00 4.62e-93 . . . . 5624 1 14 no GB AAN82365 . "Translation initiation factor IF-2 [Escherichia coli CFT073]" . . . . . 100.00 890 100.00 100.00 4.58e-93 . . . . 5624 1 15 no GB AAZ89889 . "protein chain initiation factor IF-2 [Shigella sonnei Ss046]" . . . . . 100.00 890 100.00 100.00 4.48e-93 . . . . 5624 1 16 no PIR D85980 . "protein chain initiation factor IF-2 [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 100.00 890 100.00 100.00 4.62e-93 . . . . 5624 1 17 no REF NP_289744 . "translation initiation factor IF-2 [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 890 100.00 100.00 4.62e-93 . . . . 5624 1 18 no REF NP_312076 . "translation initiation factor IF-2 [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 890 100.00 100.00 4.39e-93 . . . . 5624 1 19 no REF NP_417637 . "translation initiation factor IF-2 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 890 100.00 100.00 4.39e-93 . . . . 5624 1 20 no REF NP_755791 . "translation initiation factor IF-2 [Escherichia coli CFT073]" . . . . . 100.00 890 100.00 100.00 4.58e-93 . . . . 5624 1 21 no REF WP_000132922 . "translation initiation factor IF-2 [Escherichia coli]" . . . . . 100.00 890 99.36 99.36 5.08e-92 . . . . 5624 1 22 no SP A1AG73 . "RecName: Full=Translation initiation factor IF-2 [Escherichia coli APEC O1]" . . . . . 100.00 890 100.00 100.00 4.58e-93 . . . . 5624 1 23 no SP A7ZS65 . "RecName: Full=Translation initiation factor IF-2 [Escherichia coli E24377A]" . . . . . 100.00 890 100.00 100.00 4.39e-93 . . . . 5624 1 24 no SP A8A4Y4 . "RecName: Full=Translation initiation factor IF-2 [Escherichia coli HS]" . . . . . 100.00 890 100.00 100.00 4.39e-93 . . . . 5624 1 25 no SP B1IQV3 . "RecName: Full=Translation initiation factor IF-2 [Escherichia coli ATCC 8739]" . . . . . 100.00 890 100.00 100.00 4.39e-93 . . . . 5624 1 26 no SP B1LFS0 . "RecName: Full=Translation initiation factor IF-2 [Escherichia coli SMS-3-5]" . . . . . 100.00 890 100.00 100.00 4.62e-93 . . . . 5624 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Translation factor IF2' common 5624 1 IF2 abbreviation 5624 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 2 THR . 5624 1 2 3 ASP . 5624 1 3 4 VAL . 5624 1 4 5 THR . 5624 1 5 6 ILE . 5624 1 6 7 LYS . 5624 1 7 8 THR . 5624 1 8 9 LEU . 5624 1 9 10 ALA . 5624 1 10 11 ALA . 5624 1 11 12 GLU . 5624 1 12 13 ARG . 5624 1 13 14 GLN . 5624 1 14 15 THR . 5624 1 15 16 SER . 5624 1 16 17 VAL . 5624 1 17 18 GLU . 5624 1 18 19 ARG . 5624 1 19 20 LEU . 5624 1 20 21 VAL . 5624 1 21 22 GLN . 5624 1 22 23 GLN . 5624 1 23 24 PHE . 5624 1 24 25 ALA . 5624 1 25 26 ASP . 5624 1 26 27 ALA . 5624 1 27 28 GLY . 5624 1 28 29 ILE . 5624 1 29 30 ARG . 5624 1 30 31 LYS . 5624 1 31 32 SER . 5624 1 32 33 ALA . 5624 1 33 34 ASP . 5624 1 34 35 ASP . 5624 1 35 36 SER . 5624 1 36 37 VAL . 5624 1 37 38 SER . 5624 1 38 39 ALA . 5624 1 39 40 GLN . 5624 1 40 41 GLU . 5624 1 41 42 LYS . 5624 1 42 43 GLN . 5624 1 43 44 THR . 5624 1 44 45 LEU . 5624 1 45 46 ILE . 5624 1 46 47 ASP . 5624 1 47 48 HIS . 5624 1 48 49 LEU . 5624 1 49 50 ASN . 5624 1 50 51 GLN . 5624 1 51 52 LYS . 5624 1 52 53 ASN . 5624 1 53 54 SER . 5624 1 54 55 GLY . 5624 1 55 56 PRO . 5624 1 56 57 ASP . 5624 1 57 58 LYS . 5624 1 58 59 LEU . 5624 1 59 60 THR . 5624 1 60 61 LEU . 5624 1 61 62 GLN . 5624 1 62 63 ARG . 5624 1 63 64 LYS . 5624 1 64 65 THR . 5624 1 65 66 ARG . 5624 1 66 67 SER . 5624 1 67 68 THR . 5624 1 68 69 LEU . 5624 1 69 70 ASN . 5624 1 70 71 ILE . 5624 1 71 72 PRO . 5624 1 72 73 GLY . 5624 1 73 74 THR . 5624 1 74 75 GLY . 5624 1 75 76 GLY . 5624 1 76 77 LYS . 5624 1 77 78 SER . 5624 1 78 79 LYS . 5624 1 79 80 SER . 5624 1 80 81 VAL . 5624 1 81 82 GLN . 5624 1 82 83 ILE . 5624 1 83 84 GLU . 5624 1 84 85 VAL . 5624 1 85 86 ARG . 5624 1 86 87 LYS . 5624 1 87 88 LYS . 5624 1 88 89 ARG . 5624 1 89 90 THR . 5624 1 90 91 PHE . 5624 1 91 92 VAL . 5624 1 92 93 LYS . 5624 1 93 94 ARG . 5624 1 94 95 ASP . 5624 1 95 96 PRO . 5624 1 96 97 GLN . 5624 1 97 98 GLU . 5624 1 98 99 ALA . 5624 1 99 100 GLU . 5624 1 100 101 ARG . 5624 1 101 102 LEU . 5624 1 102 103 ALA . 5624 1 103 104 ALA . 5624 1 104 105 GLU . 5624 1 105 106 GLU . 5624 1 106 107 GLN . 5624 1 107 108 ALA . 5624 1 108 109 GLN . 5624 1 109 110 ARG . 5624 1 110 111 GLU . 5624 1 111 112 ALA . 5624 1 112 113 GLU . 5624 1 113 114 GLU . 5624 1 114 115 GLN . 5624 1 115 116 ALA . 5624 1 116 117 ARG . 5624 1 117 118 ARG . 5624 1 118 119 GLU . 5624 1 119 120 ALA . 5624 1 120 121 GLU . 5624 1 121 122 GLU . 5624 1 122 123 SER . 5624 1 123 124 ALA . 5624 1 124 125 LYS . 5624 1 125 126 ARG . 5624 1 126 127 GLU . 5624 1 127 128 ALA . 5624 1 128 129 GLN . 5624 1 129 130 GLN . 5624 1 130 131 LYS . 5624 1 131 132 ALA . 5624 1 132 133 GLU . 5624 1 133 134 ARG . 5624 1 134 135 GLU . 5624 1 135 136 ALA . 5624 1 136 137 ALA . 5624 1 137 138 GLU . 5624 1 138 139 GLN . 5624 1 139 140 ALA . 5624 1 140 141 LYS . 5624 1 141 142 ARG . 5624 1 142 143 GLU . 5624 1 143 144 ALA . 5624 1 144 145 ALA . 5624 1 145 146 GLU . 5624 1 146 147 GLN . 5624 1 147 148 ALA . 5624 1 148 149 LYS . 5624 1 149 150 ARG . 5624 1 150 151 GLU . 5624 1 151 152 ALA . 5624 1 152 153 ALA . 5624 1 153 154 GLU . 5624 1 154 155 LYS . 5624 1 155 156 ASP . 5624 1 156 157 LYS . 5624 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 . THR 1 1 5624 1 . ASP 2 2 5624 1 . VAL 3 3 5624 1 . THR 4 4 5624 1 . ILE 5 5 5624 1 . LYS 6 6 5624 1 . THR 7 7 5624 1 . LEU 8 8 5624 1 . ALA 9 9 5624 1 . ALA 10 10 5624 1 . GLU 11 11 5624 1 . ARG 12 12 5624 1 . GLN 13 13 5624 1 . THR 14 14 5624 1 . SER 15 15 5624 1 . VAL 16 16 5624 1 . GLU 17 17 5624 1 . ARG 18 18 5624 1 . LEU 19 19 5624 1 . VAL 20 20 5624 1 . GLN 21 21 5624 1 . GLN 22 22 5624 1 . PHE 23 23 5624 1 . ALA 24 24 5624 1 . ASP 25 25 5624 1 . ALA 26 26 5624 1 . GLY 27 27 5624 1 . ILE 28 28 5624 1 . ARG 29 29 5624 1 . LYS 30 30 5624 1 . SER 31 31 5624 1 . ALA 32 32 5624 1 . ASP 33 33 5624 1 . ASP 34 34 5624 1 . SER 35 35 5624 1 . VAL 36 36 5624 1 . SER 37 37 5624 1 . ALA 38 38 5624 1 . GLN 39 39 5624 1 . GLU 40 40 5624 1 . LYS 41 41 5624 1 . GLN 42 42 5624 1 . THR 43 43 5624 1 . LEU 44 44 5624 1 . ILE 45 45 5624 1 . ASP 46 46 5624 1 . HIS 47 47 5624 1 . LEU 48 48 5624 1 . ASN 49 49 5624 1 . GLN 50 50 5624 1 . LYS 51 51 5624 1 . ASN 52 52 5624 1 . SER 53 53 5624 1 . GLY 54 54 5624 1 . PRO 55 55 5624 1 . ASP 56 56 5624 1 . LYS 57 57 5624 1 . LEU 58 58 5624 1 . THR 59 59 5624 1 . LEU 60 60 5624 1 . GLN 61 61 5624 1 . ARG 62 62 5624 1 . LYS 63 63 5624 1 . THR 64 64 5624 1 . ARG 65 65 5624 1 . SER 66 66 5624 1 . THR 67 67 5624 1 . LEU 68 68 5624 1 . ASN 69 69 5624 1 . ILE 70 70 5624 1 . PRO 71 71 5624 1 . GLY 72 72 5624 1 . THR 73 73 5624 1 . GLY 74 74 5624 1 . GLY 75 75 5624 1 . LYS 76 76 5624 1 . SER 77 77 5624 1 . LYS 78 78 5624 1 . SER 79 79 5624 1 . VAL 80 80 5624 1 . GLN 81 81 5624 1 . ILE 82 82 5624 1 . GLU 83 83 5624 1 . VAL 84 84 5624 1 . ARG 85 85 5624 1 . LYS 86 86 5624 1 . LYS 87 87 5624 1 . ARG 88 88 5624 1 . THR 89 89 5624 1 . PHE 90 90 5624 1 . VAL 91 91 5624 1 . LYS 92 92 5624 1 . ARG 93 93 5624 1 . ASP 94 94 5624 1 . PRO 95 95 5624 1 . GLN 96 96 5624 1 . GLU 97 97 5624 1 . ALA 98 98 5624 1 . GLU 99 99 5624 1 . ARG 100 100 5624 1 . LEU 101 101 5624 1 . ALA 102 102 5624 1 . ALA 103 103 5624 1 . GLU 104 104 5624 1 . GLU 105 105 5624 1 . GLN 106 106 5624 1 . ALA 107 107 5624 1 . GLN 108 108 5624 1 . ARG 109 109 5624 1 . GLU 110 110 5624 1 . ALA 111 111 5624 1 . GLU 112 112 5624 1 . GLU 113 113 5624 1 . GLN 114 114 5624 1 . ALA 115 115 5624 1 . ARG 116 116 5624 1 . ARG 117 117 5624 1 . GLU 118 118 5624 1 . ALA 119 119 5624 1 . GLU 120 120 5624 1 . GLU 121 121 5624 1 . SER 122 122 5624 1 . ALA 123 123 5624 1 . LYS 124 124 5624 1 . ARG 125 125 5624 1 . GLU 126 126 5624 1 . ALA 127 127 5624 1 . GLN 128 128 5624 1 . GLN 129 129 5624 1 . LYS 130 130 5624 1 . ALA 131 131 5624 1 . GLU 132 132 5624 1 . ARG 133 133 5624 1 . GLU 134 134 5624 1 . ALA 135 135 5624 1 . ALA 136 136 5624 1 . GLU 137 137 5624 1 . GLN 138 138 5624 1 . ALA 139 139 5624 1 . LYS 140 140 5624 1 . ARG 141 141 5624 1 . GLU 142 142 5624 1 . ALA 143 143 5624 1 . ALA 144 144 5624 1 . GLU 145 145 5624 1 . GLN 146 146 5624 1 . ALA 147 147 5624 1 . LYS 148 148 5624 1 . ARG 149 149 5624 1 . GLU 150 150 5624 1 . ALA 151 151 5624 1 . ALA 152 152 5624 1 . GLU 153 153 5624 1 . LYS 154 154 5624 1 . ASP 155 155 5624 1 . LYS 156 156 5624 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 5624 _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 $IF2 . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5624 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 5624 _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 $IF2 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5624 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5624 _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 'Translation factor IF2' . . . 1 $IF2 . . 1.5 1.0 2.0 mM . . . . 5624 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5624 _Sample.ID 2 _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 'Translation factor IF2' [U-15N] . . 1 $IF2 . . 1.5 1.0 2.0 mM . . . . 5624 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5624 _Sample.ID 3 _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 'Translation factor IF2' '[U-15N; U-13C]' . . 1 $IF2 . . 1.5 1.0 2.0 mM . . . . 5624 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 5624 _Sample.ID 4 _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 'Translation factor IF2' [U-15N]-Lys . . 1 $IF2 . . 1.5 1.0 2.0 mM . . . . 5624 4 stop_ save_ ####################### # Sample conditions # ####################### save_conds_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conds_1 _Sample_condition_list.Entry_ID 5624 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.2 na 5624 1 temperature 298 1 K 5624 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5624 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5624 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 500 . . . 5624 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5624 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5624 1 2 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5624 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5624 1 4 HN(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5624 1 5 HACACBCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5624 1 6 '15N-edited HSQC TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5624 1 7 '13C-edited HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5624 1 8 2QF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5624 1 9 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5624 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5624 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5624 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5624 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5624 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5624 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HACACBCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5624 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '15N-edited HSQC TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5624 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '13C-edited HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5624 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 2QF-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5624 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5624 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5624 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5624 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5624 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 1 _Assigned_chem_shift_list.Entry_ID 5624 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conds_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 HNCA . . . 5624 1 2 HNCO . . . 5624 1 3 HNCACB . . . 5624 1 4 HN(CO)CACB . . . 5624 1 5 HACACBCO . . . 5624 1 6 '15N-edited HSQC TOCSY' . . . 5624 1 7 '13C-edited HCCH-TOCSY' . . . 5624 1 8 2QF-COSY . . . 5624 1 9 TOCSY . . . 5624 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP HA H 1 4.81 . . 1 . . . . . . . . 5624 1 2 . 1 1 2 2 ASP HB2 H 1 2.48 . . 2 . . . . . . . . 5624 1 3 . 1 1 2 2 ASP HB3 H 1 2.63 . . 2 . . . . . . . . 5624 1 4 . 1 1 2 2 ASP C C 13 175.1 . . 1 . . . . . . . . 5624 1 5 . 1 1 2 2 ASP CA C 13 54.6 . . 1 . . . . . . . . 5624 1 6 . 1 1 2 2 ASP CB C 13 41.5 . . 1 . . . . . . . . 5624 1 7 . 1 1 3 3 VAL H H 1 8.31 . . 1 . . . . . . . . 5624 1 8 . 1 1 3 3 VAL HA H 1 4.36 . . 1 . . . . . . . . 5624 1 9 . 1 1 3 3 VAL HB H 1 2.14 . . 1 . . . . . . . . 5624 1 10 . 1 1 3 3 VAL HG11 H 1 0.93 . . 1 . . . . . . . . 5624 1 11 . 1 1 3 3 VAL HG12 H 1 0.93 . . 1 . . . . . . . . 5624 1 12 . 1 1 3 3 VAL HG13 H 1 0.93 . . 1 . . . . . . . . 5624 1 13 . 1 1 3 3 VAL HG21 H 1 0.98 . . 1 . . . . . . . . 5624 1 14 . 1 1 3 3 VAL HG22 H 1 0.98 . . 1 . . . . . . . . 5624 1 15 . 1 1 3 3 VAL HG23 H 1 0.98 . . 1 . . . . . . . . 5624 1 16 . 1 1 3 3 VAL C C 13 174.3 . . 1 . . . . . . . . 5624 1 17 . 1 1 3 3 VAL CA C 13 61.0 . . 1 . . . . . . . . 5624 1 18 . 1 1 3 3 VAL CB C 13 33.7 . . 1 . . . . . . . . 5624 1 19 . 1 1 3 3 VAL CG1 C 13 21.7 . . 1 . . . . . . . . 5624 1 20 . 1 1 3 3 VAL CG2 C 13 20.6 . . 1 . . . . . . . . 5624 1 21 . 1 1 3 3 VAL N N 15 121.0 . . 1 . . . . . . . . 5624 1 22 . 1 1 4 4 THR H H 1 8.22 . . 1 . . . . . . . . 5624 1 23 . 1 1 4 4 THR HA H 1 4.82 . . 1 . . . . . . . . 5624 1 24 . 1 1 4 4 THR HB H 1 4.66 . . 1 . . . . . . . . 5624 1 25 . 1 1 4 4 THR HG21 H 1 1.20 . . 1 . . . . . . . . 5624 1 26 . 1 1 4 4 THR HG22 H 1 1.20 . . 1 . . . . . . . . 5624 1 27 . 1 1 4 4 THR HG23 H 1 1.20 . . 1 . . . . . . . . 5624 1 28 . 1 1 4 4 THR C C 13 174.6 . . 1 . . . . . . . . 5624 1 29 . 1 1 4 4 THR CA C 13 60.4 . . 1 . . . . . . . . 5624 1 30 . 1 1 4 4 THR CB C 13 71.4 . . 1 . . . . . . . . 5624 1 31 . 1 1 4 4 THR CG2 C 13 22.0 . . 1 . . . . . . . . 5624 1 32 . 1 1 4 4 THR N N 15 115.0 . . 1 . . . . . . . . 5624 1 33 . 1 1 5 5 ILE H H 1 8.42 . . 1 . . . . . . . . 5624 1 34 . 1 1 5 5 ILE HA H 1 3.67 . . 1 . . . . . . . . 5624 1 35 . 1 1 5 5 ILE HB H 1 2.13 . . 1 . . . . . . . . 5624 1 36 . 1 1 5 5 ILE HG12 H 1 1.11 . . 2 . . . . . . . . 5624 1 37 . 1 1 5 5 ILE HG13 H 1 1.57 . . 2 . . . . . . . . 5624 1 38 . 1 1 5 5 ILE HG21 H 1 0.86 . . 1 . . . . . . . . 5624 1 39 . 1 1 5 5 ILE HG22 H 1 0.86 . . 1 . . . . . . . . 5624 1 40 . 1 1 5 5 ILE HG23 H 1 0.86 . . 1 . . . . . . . . 5624 1 41 . 1 1 5 5 ILE HD11 H 1 0.37 . . 1 . . . . . . . . 5624 1 42 . 1 1 5 5 ILE HD12 H 1 0.37 . . 1 . . . . . . . . 5624 1 43 . 1 1 5 5 ILE HD13 H 1 0.37 . . 1 . . . . . . . . 5624 1 44 . 1 1 5 5 ILE C C 13 176.6 . . 1 . . . . . . . . 5624 1 45 . 1 1 5 5 ILE CA C 13 62.7 . . 1 . . . . . . . . 5624 1 46 . 1 1 5 5 ILE CB C 13 35.6 . . 1 . . . . . . . . 5624 1 47 . 1 1 5 5 ILE CG1 C 13 27.7 . . 1 . . . . . . . . 5624 1 48 . 1 1 5 5 ILE CG2 C 13 18.3 . . 1 . . . . . . . . 5624 1 49 . 1 1 5 5 ILE CD1 C 13 11.5 . . 1 . . . . . . . . 5624 1 50 . 1 1 5 5 ILE N N 15 122.4 . . 1 . . . . . . . . 5624 1 51 . 1 1 6 6 LYS H H 1 8.07 . . 1 . . . . . . . . 5624 1 52 . 1 1 6 6 LYS HA H 1 3.86 . . 1 . . . . . . . . 5624 1 53 . 1 1 6 6 LYS HB2 H 1 1.79 . . 1 . . . . . . . . 5624 1 54 . 1 1 6 6 LYS HB3 H 1 1.79 . . 1 . . . . . . . . 5624 1 55 . 1 1 6 6 LYS HG2 H 1 1.38 . . 4 . . . . . . . . 5624 1 56 . 1 1 6 6 LYS HG3 H 1 1.38 . . 4 . . . . . . . . 5624 1 57 . 1 1 6 6 LYS HD2 H 1 1.63 . . 4 . . . . . . . . 5624 1 58 . 1 1 6 6 LYS HD3 H 1 1.63 . . 4 . . . . . . . . 5624 1 59 . 1 1 6 6 LYS HE2 H 1 2.92 . . 1 . . . . . . . . 5624 1 60 . 1 1 6 6 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 5624 1 61 . 1 1 6 6 LYS C C 13 179.1 . . 1 . . . . . . . . 5624 1 62 . 1 1 6 6 LYS CA C 13 60.6 . . 1 . . . . . . . . 5624 1 63 . 1 1 6 6 LYS CB C 13 32.8 . . 1 . . . . . . . . 5624 1 64 . 1 1 6 6 LYS N N 15 117.9 . . 1 . . . . . . . . 5624 1 65 . 1 1 7 7 THR H H 1 8.05 . . 1 . . . . . . . . 5624 1 66 . 1 1 7 7 THR HA H 1 4.00 . . 1 . . . . . . . . 5624 1 67 . 1 1 7 7 THR HB H 1 4.27 . . 1 . . . . . . . . 5624 1 68 . 1 1 7 7 THR HG21 H 1 1.21 . . 1 . . . . . . . . 5624 1 69 . 1 1 7 7 THR HG22 H 1 1.21 . . 1 . . . . . . . . 5624 1 70 . 1 1 7 7 THR HG23 H 1 1.21 . . 1 . . . . . . . . 5624 1 71 . 1 1 7 7 THR C C 13 176.2 . . 1 . . . . . . . . 5624 1 72 . 1 1 7 7 THR CA C 13 66.1 . . 1 . . . . . . . . 5624 1 73 . 1 1 7 7 THR CB C 13 68.1 . . 1 . . . . . . . . 5624 1 74 . 1 1 7 7 THR CG2 C 13 22.3 . . 1 . . . . . . . . 5624 1 75 . 1 1 7 7 THR N N 15 117.1 . . 1 . . . . . . . . 5624 1 76 . 1 1 8 8 LEU H H 1 8.67 . . 1 . . . . . . . . 5624 1 77 . 1 1 8 8 LEU HA H 1 4.13 . . 1 . . . . . . . . 5624 1 78 . 1 1 8 8 LEU HB2 H 1 1.44 . . 2 . . . . . . . . 5624 1 79 . 1 1 8 8 LEU HB3 H 1 1.82 . . 2 . . . . . . . . 5624 1 80 . 1 1 8 8 LEU HG H 1 1.44 . . 1 . . . . . . . . 5624 1 81 . 1 1 8 8 LEU HD11 H 1 0.96 . . 1 . . . . . . . . 5624 1 82 . 1 1 8 8 LEU HD12 H 1 0.96 . . 1 . . . . . . . . 5624 1 83 . 1 1 8 8 LEU HD13 H 1 0.96 . . 1 . . . . . . . . 5624 1 84 . 1 1 8 8 LEU HD21 H 1 0.96 . . 1 . . . . . . . . 5624 1 85 . 1 1 8 8 LEU HD22 H 1 0.96 . . 1 . . . . . . . . 5624 1 86 . 1 1 8 8 LEU HD23 H 1 0.96 . . 1 . . . . . . . . 5624 1 87 . 1 1 8 8 LEU C C 13 177.4 . . 1 . . . . . . . . 5624 1 88 . 1 1 8 8 LEU CA C 13 57.3 . . 1 . . . . . . . . 5624 1 89 . 1 1 8 8 LEU CB C 13 41.5 . . 1 . . . . . . . . 5624 1 90 . 1 1 8 8 LEU CD1 C 13 26.9 . . 1 . . . . . . . . 5624 1 91 . 1 1 8 8 LEU CD2 C 13 26.9 . . 1 . . . . . . . . 5624 1 92 . 1 1 8 8 LEU N N 15 125.3 . . 1 . . . . . . . . 5624 1 93 . 1 1 9 9 ALA H H 1 8.59 . . 1 . . . . . . . . 5624 1 94 . 1 1 9 9 ALA HA H 1 3.70 . . 1 . . . . . . . . 5624 1 95 . 1 1 9 9 ALA HB1 H 1 1.38 . . 1 . . . . . . . . 5624 1 96 . 1 1 9 9 ALA HB2 H 1 1.38 . . 1 . . . . . . . . 5624 1 97 . 1 1 9 9 ALA HB3 H 1 1.38 . . 1 . . . . . . . . 5624 1 98 . 1 1 9 9 ALA C C 13 178.2 . . 1 . . . . . . . . 5624 1 99 . 1 1 9 9 ALA CA C 13 55.9 . . 1 . . . . . . . . 5624 1 100 . 1 1 9 9 ALA CB C 13 17.6 . . 1 . . . . . . . . 5624 1 101 . 1 1 9 9 ALA N N 15 121.6 . . 1 . . . . . . . . 5624 1 102 . 1 1 10 10 ALA H H 1 7.16 . . 1 . . . . . . . . 5624 1 103 . 1 1 10 10 ALA HA H 1 4.18 . . 1 . . . . . . . . 5624 1 104 . 1 1 10 10 ALA HB1 H 1 1.52 . . 1 . . . . . . . . 5624 1 105 . 1 1 10 10 ALA HB2 H 1 1.52 . . 1 . . . . . . . . 5624 1 106 . 1 1 10 10 ALA HB3 H 1 1.52 . . 1 . . . . . . . . 5624 1 107 . 1 1 10 10 ALA C C 13 181.4 . . 1 . . . . . . . . 5624 1 108 . 1 1 10 10 ALA CA C 13 55.0 . . 1 . . . . . . . . 5624 1 109 . 1 1 10 10 ALA CB C 13 17.7 . . 1 . . . . . . . . 5624 1 110 . 1 1 10 10 ALA N N 15 118.8 . . 1 . . . . . . . . 5624 1 111 . 1 1 11 11 GLU H H 1 8.24 . . 1 . . . . . . . . 5624 1 112 . 1 1 11 11 GLU HA H 1 3.98 . . 1 . . . . . . . . 5624 1 113 . 1 1 11 11 GLU HB2 H 1 2.13 . . 1 . . . . . . . . 5624 1 114 . 1 1 11 11 GLU HB3 H 1 2.13 . . 1 . . . . . . . . 5624 1 115 . 1 1 11 11 GLU HG2 H 1 2.38 . . 1 . . . . . . . . 5624 1 116 . 1 1 11 11 GLU HG3 H 1 2.38 . . 1 . . . . . . . . 5624 1 117 . 1 1 11 11 GLU C C 13 178.0 . . 1 . . . . . . . . 5624 1 118 . 1 1 11 11 GLU CA C 13 59.4 . . 1 . . . . . . . . 5624 1 119 . 1 1 11 11 GLU CB C 13 30.2 . . 1 . . . . . . . . 5624 1 120 . 1 1 11 11 GLU N N 15 120.6 . . 1 . . . . . . . . 5624 1 121 . 1 1 12 12 ARG H H 1 7.99 . . 1 . . . . . . . . 5624 1 122 . 1 1 12 12 ARG HA H 1 4.17 . . 1 . . . . . . . . 5624 1 123 . 1 1 12 12 ARG HB2 H 1 1.43 . . 1 . . . . . . . . 5624 1 124 . 1 1 12 12 ARG HB3 H 1 1.43 . . 1 . . . . . . . . 5624 1 125 . 1 1 12 12 ARG HG2 H 1 2.15 . . 1 . . . . . . . . 5624 1 126 . 1 1 12 12 ARG HG3 H 1 2.15 . . 1 . . . . . . . . 5624 1 127 . 1 1 12 12 ARG HD2 H 1 3.20 . . 1 . . . . . . . . 5624 1 128 . 1 1 12 12 ARG HD3 H 1 3.20 . . 1 . . . . . . . . 5624 1 129 . 1 1 12 12 ARG C C 13 174.1 . . 1 . . . . . . . . 5624 1 130 . 1 1 12 12 ARG CA C 13 56.3 . . 1 . . . . . . . . 5624 1 131 . 1 1 12 12 ARG CB C 13 29.7 . . 1 . . . . . . . . 5624 1 132 . 1 1 12 12 ARG N N 15 115.8 . . 1 . . . . . . . . 5624 1 133 . 1 1 13 13 GLN H H 1 7.91 . . 1 . . . . . . . . 5624 1 134 . 1 1 13 13 GLN HA H 1 3.89 . . 1 . . . . . . . . 5624 1 135 . 1 1 13 13 GLN HB2 H 1 2.16 . . 1 . . . . . . . . 5624 1 136 . 1 1 13 13 GLN HB3 H 1 2.16 . . 1 . . . . . . . . 5624 1 137 . 1 1 13 13 GLN HG2 H 1 2.26 . . 1 . . . . . . . . 5624 1 138 . 1 1 13 13 GLN HG3 H 1 2.26 . . 1 . . . . . . . . 5624 1 139 . 1 1 13 13 GLN C C 13 174.0 . . 1 . . . . . . . . 5624 1 140 . 1 1 13 13 GLN CA C 13 56.6 . . 1 . . . . . . . . 5624 1 141 . 1 1 13 13 GLN CB C 13 26.4 . . 1 . . . . . . . . 5624 1 142 . 1 1 13 13 GLN N N 15 117.7 . . 1 . . . . . . . . 5624 1 143 . 1 1 14 14 THR H H 1 8.30 . . 1 . . . . . . . . 5624 1 144 . 1 1 14 14 THR HA H 1 4.74 . . 1 . . . . . . . . 5624 1 145 . 1 1 14 14 THR HB H 1 3.76 . . 1 . . . . . . . . 5624 1 146 . 1 1 14 14 THR HG21 H 1 1.22 . . 1 . . . . . . . . 5624 1 147 . 1 1 14 14 THR HG22 H 1 1.22 . . 1 . . . . . . . . 5624 1 148 . 1 1 14 14 THR HG23 H 1 1.22 . . 1 . . . . . . . . 5624 1 149 . 1 1 14 14 THR C C 13 172.0 . . 1 . . . . . . . . 5624 1 150 . 1 1 14 14 THR CA C 13 59.6 . . 1 . . . . . . . . 5624 1 151 . 1 1 14 14 THR CB C 13 71.7 . . 1 . . . . . . . . 5624 1 152 . 1 1 14 14 THR CG2 C 13 19.0 . . 1 . . . . . . . . 5624 1 153 . 1 1 14 14 THR N N 15 113.6 . . 1 . . . . . . . . 5624 1 154 . 1 1 15 15 SER H H 1 8.38 . . 1 . . . . . . . . 5624 1 155 . 1 1 15 15 SER HA H 1 4.58 . . 1 . . . . . . . . 5624 1 156 . 1 1 15 15 SER HB2 H 1 3.97 . . 2 . . . . . . . . 5624 1 157 . 1 1 15 15 SER HB3 H 1 4.33 . . 2 . . . . . . . . 5624 1 158 . 1 1 15 15 SER C C 13 174.8 . . 1 . . . . . . . . 5624 1 159 . 1 1 15 15 SER CA C 13 56.7 . . 1 . . . . . . . . 5624 1 160 . 1 1 15 15 SER CB C 13 65.2 . . 1 . . . . . . . . 5624 1 161 . 1 1 15 15 SER N N 15 118.1 . . 1 . . . . . . . . 5624 1 162 . 1 1 16 16 VAL H H 1 8.87 . . 1 . . . . . . . . 5624 1 163 . 1 1 16 16 VAL HA H 1 3.37 . . 1 . . . . . . . . 5624 1 164 . 1 1 16 16 VAL HB H 1 1.98 . . 1 . . . . . . . . 5624 1 165 . 1 1 16 16 VAL HG11 H 1 0.88 . . 1 . . . . . . . . 5624 1 166 . 1 1 16 16 VAL HG12 H 1 0.88 . . 1 . . . . . . . . 5624 1 167 . 1 1 16 16 VAL HG13 H 1 0.88 . . 1 . . . . . . . . 5624 1 168 . 1 1 16 16 VAL HG21 H 1 1.05 . . 1 . . . . . . . . 5624 1 169 . 1 1 16 16 VAL HG22 H 1 1.05 . . 1 . . . . . . . . 5624 1 170 . 1 1 16 16 VAL HG23 H 1 1.05 . . 1 . . . . . . . . 5624 1 171 . 1 1 16 16 VAL C C 13 176.5 . . 1 . . . . . . . . 5624 1 172 . 1 1 16 16 VAL CA C 13 67.3 . . 1 . . . . . . . . 5624 1 173 . 1 1 16 16 VAL CB C 13 31.9 . . 1 . . . . . . . . 5624 1 174 . 1 1 16 16 VAL CG1 C 13 21.5 . . 1 . . . . . . . . 5624 1 175 . 1 1 16 16 VAL CG2 C 13 24.1 . . 1 . . . . . . . . 5624 1 176 . 1 1 16 16 VAL N N 15 122.7 . . 1 . . . . . . . . 5624 1 177 . 1 1 17 17 GLU H H 1 8.80 . . 1 . . . . . . . . 5624 1 178 . 1 1 17 17 GLU HA H 1 3.87 . . 1 . . . . . . . . 5624 1 179 . 1 1 17 17 GLU HB2 H 1 1.88 . . 2 . . . . . . . . 5624 1 180 . 1 1 17 17 GLU HB3 H 1 2.00 . . 2 . . . . . . . . 5624 1 181 . 1 1 17 17 GLU HG2 H 1 2.21 . . 2 . . . . . . . . 5624 1 182 . 1 1 17 17 GLU HG3 H 1 2.35 . . 2 . . . . . . . . 5624 1 183 . 1 1 17 17 GLU C C 13 178.9 . . 1 . . . . . . . . 5624 1 184 . 1 1 17 17 GLU CA C 13 60.5 . . 1 . . . . . . . . 5624 1 185 . 1 1 17 17 GLU CB C 13 29.0 . . 1 . . . . . . . . 5624 1 186 . 1 1 17 17 GLU N N 15 117.2 . . 1 . . . . . . . . 5624 1 187 . 1 1 18 18 ARG H H 1 7.77 . . 1 . . . . . . . . 5624 1 188 . 1 1 18 18 ARG HA H 1 4.07 . . 1 . . . . . . . . 5624 1 189 . 1 1 18 18 ARG HB2 H 1 1.85 . . 1 . . . . . . . . 5624 1 190 . 1 1 18 18 ARG HB3 H 1 1.85 . . 1 . . . . . . . . 5624 1 191 . 1 1 18 18 ARG HG2 H 1 1.56 . . 1 . . . . . . . . 5624 1 192 . 1 1 18 18 ARG HG3 H 1 1.56 . . 1 . . . . . . . . 5624 1 193 . 1 1 18 18 ARG HD2 H 1 3.17 . . 2 . . . . . . . . 5624 1 194 . 1 1 18 18 ARG HD3 H 1 3.22 . . 2 . . . . . . . . 5624 1 195 . 1 1 18 18 ARG C C 13 177.6 . . 1 . . . . . . . . 5624 1 196 . 1 1 18 18 ARG CA C 13 58.3 . . 1 . . . . . . . . 5624 1 197 . 1 1 18 18 ARG CB C 13 29.5 . . 1 . . . . . . . . 5624 1 198 . 1 1 18 18 ARG N N 15 120.0 . . 1 . . . . . . . . 5624 1 199 . 1 1 19 19 LEU H H 1 8.18 . . 1 . . . . . . . . 5624 1 200 . 1 1 19 19 LEU HA H 1 4.33 . . 1 . . . . . . . . 5624 1 201 . 1 1 19 19 LEU HB2 H 1 1.41 . . 2 . . . . . . . . 5624 1 202 . 1 1 19 19 LEU HB3 H 1 1.92 . . 2 . . . . . . . . 5624 1 203 . 1 1 19 19 LEU HG H 1 1.72 . . 1 . . . . . . . . 5624 1 204 . 1 1 19 19 LEU HD11 H 1 0.82 . . 1 . . . . . . . . 5624 1 205 . 1 1 19 19 LEU HD12 H 1 0.82 . . 1 . . . . . . . . 5624 1 206 . 1 1 19 19 LEU HD13 H 1 0.82 . . 1 . . . . . . . . 5624 1 207 . 1 1 19 19 LEU HD21 H 1 0.95 . . 1 . . . . . . . . 5624 1 208 . 1 1 19 19 LEU HD22 H 1 0.95 . . 1 . . . . . . . . 5624 1 209 . 1 1 19 19 LEU HD23 H 1 0.95 . . 1 . . . . . . . . 5624 1 210 . 1 1 19 19 LEU C C 13 178.8 . . 1 . . . . . . . . 5624 1 211 . 1 1 19 19 LEU CA C 13 57.7 . . 1 . . . . . . . . 5624 1 212 . 1 1 19 19 LEU CB C 13 42.4 . . 1 . . . . . . . . 5624 1 213 . 1 1 19 19 LEU CG C 13 27.3 . . 1 . . . . . . . . 5624 1 214 . 1 1 19 19 LEU CD1 C 13 24.6 . . 1 . . . . . . . . 5624 1 215 . 1 1 19 19 LEU CD2 C 13 28.8 . . 1 . . . . . . . . 5624 1 216 . 1 1 19 19 LEU N N 15 122.0 . . 1 . . . . . . . . 5624 1 217 . 1 1 20 20 VAL H H 1 8.80 . . 1 . . . . . . . . 5624 1 218 . 1 1 20 20 VAL HA H 1 3.57 . . 1 . . . . . . . . 5624 1 219 . 1 1 20 20 VAL HB H 1 2.18 . . 1 . . . . . . . . 5624 1 220 . 1 1 20 20 VAL HG11 H 1 0.88 . . 1 . . . . . . . . 5624 1 221 . 1 1 20 20 VAL HG12 H 1 0.88 . . 1 . . . . . . . . 5624 1 222 . 1 1 20 20 VAL HG13 H 1 0.88 . . 1 . . . . . . . . 5624 1 223 . 1 1 20 20 VAL HG21 H 1 0.95 . . 1 . . . . . . . . 5624 1 224 . 1 1 20 20 VAL HG22 H 1 0.95 . . 1 . . . . . . . . 5624 1 225 . 1 1 20 20 VAL HG23 H 1 0.95 . . 1 . . . . . . . . 5624 1 226 . 1 1 20 20 VAL C C 13 178.8 . . 1 . . . . . . . . 5624 1 227 . 1 1 20 20 VAL CA C 13 68.2 . . 1 . . . . . . . . 5624 1 228 . 1 1 20 20 VAL CB C 13 32.0 . . 1 . . . . . . . . 5624 1 229 . 1 1 20 20 VAL CG1 C 13 21.6 . . 1 . . . . . . . . 5624 1 230 . 1 1 20 20 VAL CG2 C 13 23.1 . . 1 . . . . . . . . 5624 1 231 . 1 1 20 20 VAL N N 15 118.4 . . 1 . . . . . . . . 5624 1 232 . 1 1 21 21 GLN H H 1 7.54 . . 1 . . . . . . . . 5624 1 233 . 1 1 21 21 GLN HA H 1 4.05 . . 1 . . . . . . . . 5624 1 234 . 1 1 21 21 GLN HB2 H 1 2.24 . . 1 . . . . . . . . 5624 1 235 . 1 1 21 21 GLN HB3 H 1 2.24 . . 1 . . . . . . . . 5624 1 236 . 1 1 21 21 GLN HG2 H 1 2.41 . . 1 . . . . . . . . 5624 1 237 . 1 1 21 21 GLN HG3 H 1 2.41 . . 1 . . . . . . . . 5624 1 238 . 1 1 21 21 GLN HE21 H 1 6.79 . . 1 . . . . . . . . 5624 1 239 . 1 1 21 21 GLN HE22 H 1 7.59 . . 1 . . . . . . . . 5624 1 240 . 1 1 21 21 GLN C C 13 177.0 . . 1 . . . . . . . . 5624 1 241 . 1 1 21 21 GLN CA C 13 58.7 . . 1 . . . . . . . . 5624 1 242 . 1 1 21 21 GLN CB C 13 28.4 . . 1 . . . . . . . . 5624 1 243 . 1 1 21 21 GLN CG C 13 33.4 . . 1 . . . . . . . . 5624 1 244 . 1 1 21 21 GLN CD C 13 179.7 . . 1 . . . . . . . . 5624 1 245 . 1 1 21 21 GLN N N 15 121.3 . . 1 . . . . . . . . 5624 1 246 . 1 1 21 21 GLN NE2 N 15 114.0 . . 1 . . . . . . . . 5624 1 247 . 1 1 22 22 GLN H H 1 8.42 . . 1 . . . . . . . . 5624 1 248 . 1 1 22 22 GLN HA H 1 4.04 . . 1 . . . . . . . . 5624 1 249 . 1 1 22 22 GLN HB2 H 1 1.69 . . 2 . . . . . . . . 5624 1 250 . 1 1 22 22 GLN HB3 H 1 2.38 . . 2 . . . . . . . . 5624 1 251 . 1 1 22 22 GLN HG2 H 1 2.27 . . 2 . . . . . . . . 5624 1 252 . 1 1 22 22 GLN HG3 H 1 2.64 . . 2 . . . . . . . . 5624 1 253 . 1 1 22 22 GLN HE21 H 1 6.33 . . 1 . . . . . . . . 5624 1 254 . 1 1 22 22 GLN HE22 H 1 7.16 . . 1 . . . . . . . . 5624 1 255 . 1 1 22 22 GLN C C 13 178.8 . . 1 . . . . . . . . 5624 1 256 . 1 1 22 22 GLN CA C 13 59.6 . . 1 . . . . . . . . 5624 1 257 . 1 1 22 22 GLN CB C 13 28.2 . . 1 . . . . . . . . 5624 1 258 . 1 1 22 22 GLN CG C 13 34.3 . . 1 . . . . . . . . 5624 1 259 . 1 1 22 22 GLN CD C 13 178.0 . . 1 . . . . . . . . 5624 1 260 . 1 1 22 22 GLN N N 15 121.0 . . 1 . . . . . . . . 5624 1 261 . 1 1 22 22 GLN NE2 N 15 107.9 . . 1 . . . . . . . . 5624 1 262 . 1 1 23 23 PHE H H 1 8.57 . . 1 . . . . . . . . 5624 1 263 . 1 1 23 23 PHE HA H 1 3.88 . . 1 . . . . . . . . 5624 1 264 . 1 1 23 23 PHE HB2 H 1 2.85 . . 2 . . . . . . . . 5624 1 265 . 1 1 23 23 PHE HB3 H 1 3.27 . . 2 . . . . . . . . 5624 1 266 . 1 1 23 23 PHE HD1 H 1 7.08 . . 1 . . . . . . . . 5624 1 267 . 1 1 23 23 PHE HD2 H 1 7.08 . . 1 . . . . . . . . 5624 1 268 . 1 1 23 23 PHE HE1 H 1 6.99 . . 1 . . . . . . . . 5624 1 269 . 1 1 23 23 PHE HE2 H 1 6.99 . . 1 . . . . . . . . 5624 1 270 . 1 1 23 23 PHE HZ H 1 6.78 . . 1 . . . . . . . . 5624 1 271 . 1 1 23 23 PHE C C 13 177.6 . . 1 . . . . . . . . 5624 1 272 . 1 1 23 23 PHE CA C 13 64.5 . . 1 . . . . . . . . 5624 1 273 . 1 1 23 23 PHE CB C 13 37.0 . . 1 . . . . . . . . 5624 1 274 . 1 1 23 23 PHE N N 15 117.5 . . 1 . . . . . . . . 5624 1 275 . 1 1 24 24 ALA H H 1 7.96 . . 1 . . . . . . . . 5624 1 276 . 1 1 24 24 ALA HA H 1 3.93 . . 1 . . . . . . . . 5624 1 277 . 1 1 24 24 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 5624 1 278 . 1 1 24 24 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 5624 1 279 . 1 1 24 24 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 5624 1 280 . 1 1 24 24 ALA C C 13 182.0 . . 1 . . . . . . . . 5624 1 281 . 1 1 24 24 ALA CA C 13 55.7 . . 1 . . . . . . . . 5624 1 282 . 1 1 24 24 ALA CB C 13 17.3 . . 1 . . . . . . . . 5624 1 283 . 1 1 24 24 ALA N N 15 123.1 . . 1 . . . . . . . . 5624 1 284 . 1 1 25 25 ASP H H 1 8.50 . . 1 . . . . . . . . 5624 1 285 . 1 1 25 25 ASP HA H 1 4.24 . . 1 . . . . . . . . 5624 1 286 . 1 1 25 25 ASP HB2 H 1 2.67 . . 2 . . . . . . . . 5624 1 287 . 1 1 25 25 ASP HB3 H 1 2.88 . . 2 . . . . . . . . 5624 1 288 . 1 1 25 25 ASP C C 13 176.0 . . 1 . . . . . . . . 5624 1 289 . 1 1 25 25 ASP CA C 13 57.1 . . 1 . . . . . . . . 5624 1 290 . 1 1 25 25 ASP CB C 13 40.5 . . 1 . . . . . . . . 5624 1 291 . 1 1 25 25 ASP N N 15 122.5 . . 1 . . . . . . . . 5624 1 292 . 1 1 26 26 ALA H H 1 7.27 . . 1 . . . . . . . . 5624 1 293 . 1 1 26 26 ALA HA H 1 3.49 . . 1 . . . . . . . . 5624 1 294 . 1 1 26 26 ALA HB1 H 1 1.11 . . 1 . . . . . . . . 5624 1 295 . 1 1 26 26 ALA HB2 H 1 1.11 . . 1 . . . . . . . . 5624 1 296 . 1 1 26 26 ALA HB3 H 1 1.11 . . 1 . . . . . . . . 5624 1 297 . 1 1 26 26 ALA C C 13 175.6 . . 1 . . . . . . . . 5624 1 298 . 1 1 26 26 ALA CA C 13 51.5 . . 1 . . . . . . . . 5624 1 299 . 1 1 26 26 ALA CB C 13 18.4 . . 1 . . . . . . . . 5624 1 300 . 1 1 26 26 ALA N N 15 120.1 . . 1 . . . . . . . . 5624 1 301 . 1 1 27 27 GLY H H 1 7.27 . . 1 . . . . . . . . 5624 1 302 . 1 1 27 27 GLY HA2 H 1 3.65 . . 2 . . . . . . . . 5624 1 303 . 1 1 27 27 GLY HA3 H 1 4.13 . . 2 . . . . . . . . 5624 1 304 . 1 1 27 27 GLY C C 13 173.4 . . 1 . . . . . . . . 5624 1 305 . 1 1 27 27 GLY CA C 13 45.4 . . 1 . . . . . . . . 5624 1 306 . 1 1 27 27 GLY N N 15 106.4 . . 1 . . . . . . . . 5624 1 307 . 1 1 28 28 ILE H H 1 8.44 . . 1 . . . . . . . . 5624 1 308 . 1 1 28 28 ILE HA H 1 4.18 . . 1 . . . . . . . . 5624 1 309 . 1 1 28 28 ILE HB H 1 1.71 . . 1 . . . . . . . . 5624 1 310 . 1 1 28 28 ILE HG12 H 1 1.05 . . 2 . . . . . . . . 5624 1 311 . 1 1 28 28 ILE HG13 H 1 1.44 . . 2 . . . . . . . . 5624 1 312 . 1 1 28 28 ILE HG21 H 1 0.60 . . 1 . . . . . . . . 5624 1 313 . 1 1 28 28 ILE HG22 H 1 0.60 . . 1 . . . . . . . . 5624 1 314 . 1 1 28 28 ILE HG23 H 1 0.60 . . 1 . . . . . . . . 5624 1 315 . 1 1 28 28 ILE HD11 H 1 0.97 . . 1 . . . . . . . . 5624 1 316 . 1 1 28 28 ILE HD12 H 1 0.97 . . 1 . . . . . . . . 5624 1 317 . 1 1 28 28 ILE HD13 H 1 0.97 . . 1 . . . . . . . . 5624 1 318 . 1 1 28 28 ILE C C 13 173.6 . . 1 . . . . . . . . 5624 1 319 . 1 1 28 28 ILE CA C 13 60.3 . . 1 . . . . . . . . 5624 1 320 . 1 1 28 28 ILE CB C 13 40.5 . . 1 . . . . . . . . 5624 1 321 . 1 1 28 28 ILE CG1 C 13 27.5 . . 1 . . . . . . . . 5624 1 322 . 1 1 28 28 ILE CG2 C 13 18.1 . . 1 . . . . . . . . 5624 1 323 . 1 1 28 28 ILE CD1 C 13 14.0 . . 1 . . . . . . . . 5624 1 324 . 1 1 28 28 ILE N N 15 123.1 . . 1 . . . . . . . . 5624 1 325 . 1 1 29 29 ARG H H 1 8.64 . . 1 . . . . . . . . 5624 1 326 . 1 1 29 29 ARG HA H 1 4.11 . . 1 . . . . . . . . 5624 1 327 . 1 1 29 29 ARG HB2 H 1 1.69 . . 1 . . . . . . . . 5624 1 328 . 1 1 29 29 ARG HB3 H 1 1.69 . . 1 . . . . . . . . 5624 1 329 . 1 1 29 29 ARG HG2 H 1 1.41 . . 1 . . . . . . . . 5624 1 330 . 1 1 29 29 ARG HG3 H 1 1.41 . . 1 . . . . . . . . 5624 1 331 . 1 1 29 29 ARG HD2 H 1 3.09 . . 1 . . . . . . . . 5624 1 332 . 1 1 29 29 ARG HD3 H 1 3.09 . . 1 . . . . . . . . 5624 1 333 . 1 1 29 29 ARG C C 13 174.4 . . 1 . . . . . . . . 5624 1 334 . 1 1 29 29 ARG CA C 13 56.0 . . 1 . . . . . . . . 5624 1 335 . 1 1 29 29 ARG CB C 13 30.1 . . 1 . . . . . . . . 5624 1 336 . 1 1 29 29 ARG N N 15 129.3 . . 1 . . . . . . . . 5624 1 337 . 1 1 30 30 LYS H H 1 8.41 . . 1 . . . . . . . . 5624 1 338 . 1 1 30 30 LYS HA H 1 4.73 . . 1 . . . . . . . . 5624 1 339 . 1 1 30 30 LYS HB2 H 1 1.33 . . 2 . . . . . . . . 5624 1 340 . 1 1 30 30 LYS HB3 H 1 1.55 . . 2 . . . . . . . . 5624 1 341 . 1 1 30 30 LYS HG2 H 1 0.28 . . 2 . . . . . . . . 5624 1 342 . 1 1 30 30 LYS HG3 H 1 0.73 . . 2 . . . . . . . . 5624 1 343 . 1 1 30 30 LYS HD2 H 1 1.15 . . 2 . . . . . . . . 5624 1 344 . 1 1 30 30 LYS HD3 H 1 1.74 . . 2 . . . . . . . . 5624 1 345 . 1 1 30 30 LYS HE2 H 1 2.21 . . 2 . . . . . . . . 5624 1 346 . 1 1 30 30 LYS HE3 H 1 2.32 . . 2 . . . . . . . . 5624 1 347 . 1 1 30 30 LYS C C 13 174.0 . . 1 . . . . . . . . 5624 1 348 . 1 1 30 30 LYS CA C 13 52.8 . . 1 . . . . . . . . 5624 1 349 . 1 1 30 30 LYS CB C 13 37.1 . . 1 . . . . . . . . 5624 1 350 . 1 1 30 30 LYS CE C 13 42.5 . . 1 . . . . . . . . 5624 1 351 . 1 1 30 30 LYS N N 15 126.3 . . 1 . . . . . . . . 5624 1 352 . 1 1 31 31 SER H H 1 8.90 . . 1 . . . . . . . . 5624 1 353 . 1 1 31 31 SER HA H 1 4.65 . . 1 . . . . . . . . 5624 1 354 . 1 1 31 31 SER HB2 H 1 3.80 . . 2 . . . . . . . . 5624 1 355 . 1 1 31 31 SER HB3 H 1 3.89 . . 2 . . . . . . . . 5624 1 356 . 1 1 31 31 SER C C 13 174.1 . . 1 . . . . . . . . 5624 1 357 . 1 1 31 31 SER CA C 13 56.4 . . 1 . . . . . . . . 5624 1 358 . 1 1 31 31 SER CB C 13 65.7 . . 1 . . . . . . . . 5624 1 359 . 1 1 31 31 SER N N 15 116.2 . . 1 . . . . . . . . 5624 1 360 . 1 1 32 32 ALA H H 1 8.46 . . 1 . . . . . . . . 5624 1 361 . 1 1 32 32 ALA HA H 1 3.72 . . 1 . . . . . . . . 5624 1 362 . 1 1 32 32 ALA HB1 H 1 1.32 . . 1 . . . . . . . . 5624 1 363 . 1 1 32 32 ALA HB2 H 1 1.32 . . 1 . . . . . . . . 5624 1 364 . 1 1 32 32 ALA HB3 H 1 1.32 . . 1 . . . . . . . . 5624 1 365 . 1 1 32 32 ALA C C 13 176.4 . . 1 . . . . . . . . 5624 1 366 . 1 1 32 32 ALA CA C 13 55.1 . . 1 . . . . . . . . 5624 1 367 . 1 1 32 32 ALA CB C 13 19.5 . . 1 . . . . . . . . 5624 1 368 . 1 1 32 32 ALA N N 15 120.8 . . 1 . . . . . . . . 5624 1 369 . 1 1 33 33 ASP H H 1 7.76 . . 1 . . . . . . . . 5624 1 370 . 1 1 33 33 ASP HA H 1 4.75 . . 1 . . . . . . . . 5624 1 371 . 1 1 33 33 ASP HB2 H 1 2.38 . . 2 . . . . . . . . 5624 1 372 . 1 1 33 33 ASP HB3 H 1 2.82 . . 2 . . . . . . . . 5624 1 373 . 1 1 33 33 ASP C C 13 175.3 . . 1 . . . . . . . . 5624 1 374 . 1 1 33 33 ASP CA C 13 54.1 . . 1 . . . . . . . . 5624 1 375 . 1 1 33 33 ASP CB C 13 41.7 . . 1 . . . . . . . . 5624 1 376 . 1 1 33 33 ASP N N 15 112.9 . . 1 . . . . . . . . 5624 1 377 . 1 1 34 34 ASP H H 1 7.32 . . 1 . . . . . . . . 5624 1 378 . 1 1 34 34 ASP HA H 1 4.69 . . 1 . . . . . . . . 5624 1 379 . 1 1 34 34 ASP HB2 H 1 2.77 . . 2 . . . . . . . . 5624 1 380 . 1 1 34 34 ASP HB3 H 1 2.86 . . 2 . . . . . . . . 5624 1 381 . 1 1 34 34 ASP C C 13 175.7 . . 1 . . . . . . . . 5624 1 382 . 1 1 34 34 ASP CA C 13 55.1 . . 1 . . . . . . . . 5624 1 383 . 1 1 34 34 ASP CB C 13 44.1 . . 1 . . . . . . . . 5624 1 384 . 1 1 34 34 ASP N N 15 120.2 . . 1 . . . . . . . . 5624 1 385 . 1 1 35 35 SER H H 1 8.55 . . 1 . . . . . . . . 5624 1 386 . 1 1 35 35 SER HA H 1 4.84 . . 1 . . . . . . . . 5624 1 387 . 1 1 35 35 SER HB2 H 1 3.70 . . 1 . . . . . . . . 5624 1 388 . 1 1 35 35 SER HB3 H 1 3.70 . . 1 . . . . . . . . 5624 1 389 . 1 1 35 35 SER C C 13 172.0 . . 1 . . . . . . . . 5624 1 390 . 1 1 35 35 SER CA C 13 57.9 . . 1 . . . . . . . . 5624 1 391 . 1 1 35 35 SER CB C 13 65.1 . . 1 . . . . . . . . 5624 1 392 . 1 1 35 35 SER N N 15 114.4 . . 1 . . . . . . . . 5624 1 393 . 1 1 36 36 VAL H H 1 8.57 . . 1 . . . . . . . . 5624 1 394 . 1 1 36 36 VAL HA H 1 4.28 . . 1 . . . . . . . . 5624 1 395 . 1 1 36 36 VAL HB H 1 1.79 . . 1 . . . . . . . . 5624 1 396 . 1 1 36 36 VAL HG11 H 1 0.55 . . 1 . . . . . . . . 5624 1 397 . 1 1 36 36 VAL HG12 H 1 0.55 . . 1 . . . . . . . . 5624 1 398 . 1 1 36 36 VAL HG13 H 1 0.55 . . 1 . . . . . . . . 5624 1 399 . 1 1 36 36 VAL HG21 H 1 0.90 . . 1 . . . . . . . . 5624 1 400 . 1 1 36 36 VAL HG22 H 1 0.90 . . 1 . . . . . . . . 5624 1 401 . 1 1 36 36 VAL HG23 H 1 0.90 . . 1 . . . . . . . . 5624 1 402 . 1 1 36 36 VAL C C 13 174.3 . . 1 . . . . . . . . 5624 1 403 . 1 1 36 36 VAL CA C 13 60.9 . . 1 . . . . . . . . 5624 1 404 . 1 1 36 36 VAL CB C 13 35.0 . . 1 . . . . . . . . 5624 1 405 . 1 1 36 36 VAL CG1 C 13 21.6 . . 1 . . . . . . . . 5624 1 406 . 1 1 36 36 VAL CG2 C 13 23.2 . . 1 . . . . . . . . 5624 1 407 . 1 1 36 36 VAL N N 15 120.4 . . 1 . . . . . . . . 5624 1 408 . 1 1 37 37 SER H H 1 9.43 . . 1 . . . . . . . . 5624 1 409 . 1 1 37 37 SER HA H 1 4.69 . . 1 . . . . . . . . 5624 1 410 . 1 1 37 37 SER HB2 H 1 3.89 . . 2 . . . . . . . . 5624 1 411 . 1 1 37 37 SER HB3 H 1 4.38 . . 2 . . . . . . . . 5624 1 412 . 1 1 37 37 SER C C 13 174.7 . . 1 . . . . . . . . 5624 1 413 . 1 1 37 37 SER CA C 13 56.8 . . 1 . . . . . . . . 5624 1 414 . 1 1 37 37 SER CB C 13 66.2 . . 1 . . . . . . . . 5624 1 415 . 1 1 37 37 SER N N 15 124.5 . . 1 . . . . . . . . 5624 1 416 . 1 1 38 38 ALA H H 1 9.02 . . 1 . . . . . . . . 5624 1 417 . 1 1 38 38 ALA HA H 1 4.05 . . 1 . . . . . . . . 5624 1 418 . 1 1 38 38 ALA HB1 H 1 1.46 . . 1 . . . . . . . . 5624 1 419 . 1 1 38 38 ALA HB2 H 1 1.46 . . 1 . . . . . . . . 5624 1 420 . 1 1 38 38 ALA HB3 H 1 1.46 . . 1 . . . . . . . . 5624 1 421 . 1 1 38 38 ALA C C 13 180.3 . . 1 . . . . . . . . 5624 1 422 . 1 1 38 38 ALA CA C 13 55.7 . . 1 . . . . . . . . 5624 1 423 . 1 1 38 38 ALA CB C 13 18.1 . . 1 . . . . . . . . 5624 1 424 . 1 1 38 38 ALA N N 15 123.9 . . 1 . . . . . . . . 5624 1 425 . 1 1 39 39 GLN H H 1 8.44 . . 1 . . . . . . . . 5624 1 426 . 1 1 39 39 GLN HA H 1 4.09 . . 1 . . . . . . . . 5624 1 427 . 1 1 39 39 GLN HB2 H 1 2.06 . . 1 . . . . . . . . 5624 1 428 . 1 1 39 39 GLN HB3 H 1 2.06 . . 1 . . . . . . . . 5624 1 429 . 1 1 39 39 GLN HG2 H 1 2.37 . . 1 . . . . . . . . 5624 1 430 . 1 1 39 39 GLN HG3 H 1 2.37 . . 1 . . . . . . . . 5624 1 431 . 1 1 39 39 GLN C C 13 177.6 . . 1 . . . . . . . . 5624 1 432 . 1 1 39 39 GLN CA C 13 57.5 . . 1 . . . . . . . . 5624 1 433 . 1 1 39 39 GLN CB C 13 28.7 . . 1 . . . . . . . . 5624 1 434 . 1 1 39 39 GLN N N 15 118.0 . . 1 . . . . . . . . 5624 1 435 . 1 1 40 40 GLU H H 1 7.87 . . 1 . . . . . . . . 5624 1 436 . 1 1 40 40 GLU HA H 1 3.89 . . 1 . . . . . . . . 5624 1 437 . 1 1 40 40 GLU HB2 H 1 1.69 . . 2 . . . . . . . . 5624 1 438 . 1 1 40 40 GLU HB3 H 1 2.51 . . 2 . . . . . . . . 5624 1 439 . 1 1 40 40 GLU HG2 H 1 2.39 . . 1 . . . . . . . . 5624 1 440 . 1 1 40 40 GLU HG3 H 1 2.39 . . 1 . . . . . . . . 5624 1 441 . 1 1 40 40 GLU C C 13 177.8 . . 1 . . . . . . . . 5624 1 442 . 1 1 40 40 GLU CA C 13 59.5 . . 1 . . . . . . . . 5624 1 443 . 1 1 40 40 GLU CB C 13 30.4 . . 1 . . . . . . . . 5624 1 444 . 1 1 40 40 GLU N N 15 121.6 . . 1 . . . . . . . . 5624 1 445 . 1 1 41 41 LYS H H 1 8.43 . . 1 . . . . . . . . 5624 1 446 . 1 1 41 41 LYS HA H 1 3.77 . . 1 . . . . . . . . 5624 1 447 . 1 1 41 41 LYS HB2 H 1 1.76 . . 2 . . . . . . . . 5624 1 448 . 1 1 41 41 LYS HB3 H 1 1.99 . . 2 . . . . . . . . 5624 1 449 . 1 1 41 41 LYS HG2 H 1 1.66 . . 1 . . . . . . . . 5624 1 450 . 1 1 41 41 LYS HG3 H 1 1.66 . . 1 . . . . . . . . 5624 1 451 . 1 1 41 41 LYS HD2 H 1 1.38 . . 1 . . . . . . . . 5624 1 452 . 1 1 41 41 LYS HD3 H 1 1.38 . . 1 . . . . . . . . 5624 1 453 . 1 1 41 41 LYS HE2 H 1 2.86 . . 1 . . . . . . . . 5624 1 454 . 1 1 41 41 LYS HE3 H 1 2.86 . . 1 . . . . . . . . 5624 1 455 . 1 1 41 41 LYS C C 13 176.7 . . 1 . . . . . . . . 5624 1 456 . 1 1 41 41 LYS CA C 13 60.5 . . 1 . . . . . . . . 5624 1 457 . 1 1 41 41 LYS CB C 13 32.6 . . 1 . . . . . . . . 5624 1 458 . 1 1 41 41 LYS N N 15 119.3 . . 1 . . . . . . . . 5624 1 459 . 1 1 42 42 GLN H H 1 7.88 . . 1 . . . . . . . . 5624 1 460 . 1 1 42 42 GLN HA H 1 3.81 . . 1 . . . . . . . . 5624 1 461 . 1 1 42 42 GLN HB2 H 1 2.14 . . 1 . . . . . . . . 5624 1 462 . 1 1 42 42 GLN HB3 H 1 2.14 . . 1 . . . . . . . . 5624 1 463 . 1 1 42 42 GLN HG2 H 1 2.38 . . 1 . . . . . . . . 5624 1 464 . 1 1 42 42 GLN HG3 H 1 2.38 . . 1 . . . . . . . . 5624 1 465 . 1 1 42 42 GLN HE21 H 1 6.75 . . 1 . . . . . . . . 5624 1 466 . 1 1 42 42 GLN HE22 H 1 7.83 . . 1 . . . . . . . . 5624 1 467 . 1 1 42 42 GLN C C 13 176.7 . . 1 . . . . . . . . 5624 1 468 . 1 1 42 42 GLN CA C 13 58.3 . . 1 . . . . . . . . 5624 1 469 . 1 1 42 42 GLN CB C 13 27.8 . . 1 . . . . . . . . 5624 1 470 . 1 1 42 42 GLN CG C 13 33.1 . . 1 . . . . . . . . 5624 1 471 . 1 1 42 42 GLN CD C 13 179.8 . . 1 . . . . . . . . 5624 1 472 . 1 1 42 42 GLN N N 15 117.7 . . 1 . . . . . . . . 5624 1 473 . 1 1 42 42 GLN NE2 N 15 115.9 . . 1 . . . . . . . . 5624 1 474 . 1 1 43 43 THR H H 1 8.21 . . 1 . . . . . . . . 5624 1 475 . 1 1 43 43 THR HA H 1 3.97 . . 1 . . . . . . . . 5624 1 476 . 1 1 43 43 THR HB H 1 4.33 . . 1 . . . . . . . . 5624 1 477 . 1 1 43 43 THR HG21 H 1 1.26 . . 1 . . . . . . . . 5624 1 478 . 1 1 43 43 THR HG22 H 1 1.26 . . 1 . . . . . . . . 5624 1 479 . 1 1 43 43 THR HG23 H 1 1.26 . . 1 . . . . . . . . 5624 1 480 . 1 1 43 43 THR C C 13 176.1 . . 1 . . . . . . . . 5624 1 481 . 1 1 43 43 THR CA C 13 67.2 . . 1 . . . . . . . . 5624 1 482 . 1 1 43 43 THR CB C 13 68.4 . . 1 . . . . . . . . 5624 1 483 . 1 1 43 43 THR CG2 C 13 21.7 . . 1 . . . . . . . . 5624 1 484 . 1 1 43 43 THR N N 15 117.3 . . 1 . . . . . . . . 5624 1 485 . 1 1 44 44 LEU H H 1 7.75 . . 1 . . . . . . . . 5624 1 486 . 1 1 44 44 LEU HA H 1 3.64 . . 1 . . . . . . . . 5624 1 487 . 1 1 44 44 LEU HB2 H 1 0.96 . . 2 . . . . . . . . 5624 1 488 . 1 1 44 44 LEU HB3 H 1 1.85 . . 2 . . . . . . . . 5624 1 489 . 1 1 44 44 LEU HG H 1 1.04 . . 1 . . . . . . . . 5624 1 490 . 1 1 44 44 LEU HD11 H 1 0.10 . . 1 . . . . . . . . 5624 1 491 . 1 1 44 44 LEU HD12 H 1 0.10 . . 1 . . . . . . . . 5624 1 492 . 1 1 44 44 LEU HD13 H 1 0.10 . . 1 . . . . . . . . 5624 1 493 . 1 1 44 44 LEU HD21 H 1 0.10 . . 1 . . . . . . . . 5624 1 494 . 1 1 44 44 LEU HD22 H 1 0.10 . . 1 . . . . . . . . 5624 1 495 . 1 1 44 44 LEU HD23 H 1 0.10 . . 1 . . . . . . . . 5624 1 496 . 1 1 44 44 LEU C C 13 176.6 . . 1 . . . . . . . . 5624 1 497 . 1 1 44 44 LEU CA C 13 58.8 . . 1 . . . . . . . . 5624 1 498 . 1 1 44 44 LEU CB C 13 41.0 . . 1 . . . . . . . . 5624 1 499 . 1 1 44 44 LEU CG C 13 26.4 . . 1 . . . . . . . . 5624 1 500 . 1 1 44 44 LEU CD1 C 13 23.4 . . 1 . . . . . . . . 5624 1 501 . 1 1 44 44 LEU CD2 C 13 23.4 . . 1 . . . . . . . . 5624 1 502 . 1 1 44 44 LEU N N 15 122.8 . . 1 . . . . . . . . 5624 1 503 . 1 1 45 45 ILE H H 1 8.01 . . 1 . . . . . . . . 5624 1 504 . 1 1 45 45 ILE HA H 1 3.38 . . 1 . . . . . . . . 5624 1 505 . 1 1 45 45 ILE HB H 1 1.86 . . 1 . . . . . . . . 5624 1 506 . 1 1 45 45 ILE HG12 H 1 1.13 . . 2 . . . . . . . . 5624 1 507 . 1 1 45 45 ILE HG13 H 1 1.54 . . 2 . . . . . . . . 5624 1 508 . 1 1 45 45 ILE HG21 H 1 0.86 . . 1 . . . . . . . . 5624 1 509 . 1 1 45 45 ILE HG22 H 1 0.86 . . 1 . . . . . . . . 5624 1 510 . 1 1 45 45 ILE HG23 H 1 0.86 . . 1 . . . . . . . . 5624 1 511 . 1 1 45 45 ILE HD11 H 1 0.71 . . 1 . . . . . . . . 5624 1 512 . 1 1 45 45 ILE HD12 H 1 0.71 . . 1 . . . . . . . . 5624 1 513 . 1 1 45 45 ILE HD13 H 1 0.71 . . 1 . . . . . . . . 5624 1 514 . 1 1 45 45 ILE C C 13 178.0 . . 1 . . . . . . . . 5624 1 515 . 1 1 45 45 ILE CA C 13 65.3 . . 1 . . . . . . . . 5624 1 516 . 1 1 45 45 ILE CB C 13 37.7 . . 1 . . . . . . . . 5624 1 517 . 1 1 45 45 ILE CG1 C 13 29.3 . . 1 . . . . . . . . 5624 1 518 . 1 1 45 45 ILE CG2 C 13 17.8 . . 1 . . . . . . . . 5624 1 519 . 1 1 45 45 ILE CD1 C 13 13.8 . . 1 . . . . . . . . 5624 1 520 . 1 1 45 45 ILE N N 15 119.5 . . 1 . . . . . . . . 5624 1 521 . 1 1 46 46 ASP H H 1 8.77 . . 1 . . . . . . . . 5624 1 522 . 1 1 46 46 ASP HA H 1 4.38 . . 1 . . . . . . . . 5624 1 523 . 1 1 46 46 ASP HB2 H 1 2.62 . . 2 . . . . . . . . 5624 1 524 . 1 1 46 46 ASP HB3 H 1 2.79 . . 2 . . . . . . . . 5624 1 525 . 1 1 46 46 ASP C C 13 178.2 . . 1 . . . . . . . . 5624 1 526 . 1 1 46 46 ASP CA C 13 57.5 . . 1 . . . . . . . . 5624 1 527 . 1 1 46 46 ASP CB C 13 40.3 . . 1 . . . . . . . . 5624 1 528 . 1 1 46 46 ASP N N 15 120.4 . . 1 . . . . . . . . 5624 1 529 . 1 1 47 47 HIS H H 1 8.11 . . 1 . . . . . . . . 5624 1 530 . 1 1 47 47 HIS HA H 1 4.23 . . 1 . . . . . . . . 5624 1 531 . 1 1 47 47 HIS HB2 H 1 3.25 . . 2 . . . . . . . . 5624 1 532 . 1 1 47 47 HIS HB3 H 1 3.36 . . 2 . . . . . . . . 5624 1 533 . 1 1 47 47 HIS HD2 H 1 6.69 . . 1 . . . . . . . . 5624 1 534 . 1 1 47 47 HIS HE1 H 1 7.46 . . 1 . . . . . . . . 5624 1 535 . 1 1 47 47 HIS C C 13 177.5 . . 1 . . . . . . . . 5624 1 536 . 1 1 47 47 HIS CA C 13 60.4 . . 1 . . . . . . . . 5624 1 537 . 1 1 47 47 HIS CB C 13 30.4 . . 1 . . . . . . . . 5624 1 538 . 1 1 47 47 HIS N N 15 121.1 . . 1 . . . . . . . . 5624 1 539 . 1 1 48 48 LEU H H 1 8.41 . . 1 . . . . . . . . 5624 1 540 . 1 1 48 48 LEU HA H 1 3.82 . . 1 . . . . . . . . 5624 1 541 . 1 1 48 48 LEU HB2 H 1 1.34 . . 2 . . . . . . . . 5624 1 542 . 1 1 48 48 LEU HB3 H 1 1.79 . . 2 . . . . . . . . 5624 1 543 . 1 1 48 48 LEU HG H 1 1.79 . . 1 . . . . . . . . 5624 1 544 . 1 1 48 48 LEU HD11 H 1 0.64 . . 1 . . . . . . . . 5624 1 545 . 1 1 48 48 LEU HD12 H 1 0.64 . . 1 . . . . . . . . 5624 1 546 . 1 1 48 48 LEU HD13 H 1 0.64 . . 1 . . . . . . . . 5624 1 547 . 1 1 48 48 LEU HD21 H 1 0.76 . . 1 . . . . . . . . 5624 1 548 . 1 1 48 48 LEU HD22 H 1 0.76 . . 1 . . . . . . . . 5624 1 549 . 1 1 48 48 LEU HD23 H 1 0.76 . . 1 . . . . . . . . 5624 1 550 . 1 1 48 48 LEU C C 13 178.7 . . 1 . . . . . . . . 5624 1 551 . 1 1 48 48 LEU CA C 13 57.2 . . 1 . . . . . . . . 5624 1 552 . 1 1 48 48 LEU CB C 13 41.5 . . 1 . . . . . . . . 5624 1 553 . 1 1 48 48 LEU CG C 13 26.8 . . 1 . . . . . . . . 5624 1 554 . 1 1 48 48 LEU CD1 C 13 26.0 . . 1 . . . . . . . . 5624 1 555 . 1 1 48 48 LEU CD2 C 13 23.2 . . 1 . . . . . . . . 5624 1 556 . 1 1 48 48 LEU N N 15 119.1 . . 1 . . . . . . . . 5624 1 557 . 1 1 49 49 ASN H H 1 8.11 . . 1 . . . . . . . . 5624 1 558 . 1 1 49 49 ASN HA H 1 4.56 . . 1 . . . . . . . . 5624 1 559 . 1 1 49 49 ASN HB2 H 1 2.84 . . 1 . . . . . . . . 5624 1 560 . 1 1 49 49 ASN HB3 H 1 2.84 . . 1 . . . . . . . . 5624 1 561 . 1 1 49 49 ASN C C 13 176.1 . . 1 . . . . . . . . 5624 1 562 . 1 1 49 49 ASN CA C 13 54.5 . . 1 . . . . . . . . 5624 1 563 . 1 1 49 49 ASN CB C 13 38.5 . . 1 . . . . . . . . 5624 1 564 . 1 1 49 49 ASN N N 15 117.5 . . 1 . . . . . . . . 5624 1 565 . 1 1 50 50 GLN H H 1 7.69 . . 1 . . . . . . . . 5624 1 566 . 1 1 50 50 GLN HA H 1 4.11 . . 1 . . . . . . . . 5624 1 567 . 1 1 50 50 GLN HB2 H 1 2.06 . . 1 . . . . . . . . 5624 1 568 . 1 1 50 50 GLN HB3 H 1 2.06 . . 1 . . . . . . . . 5624 1 569 . 1 1 50 50 GLN HG2 H 1 2.33 . . 2 . . . . . . . . 5624 1 570 . 1 1 50 50 GLN HG3 H 1 2.42 . . 2 . . . . . . . . 5624 1 571 . 1 1 50 50 GLN C C 13 176.2 . . 1 . . . . . . . . 5624 1 572 . 1 1 50 50 GLN CA C 13 57.3 . . 1 . . . . . . . . 5624 1 573 . 1 1 50 50 GLN CB C 13 28.8 . . 1 . . . . . . . . 5624 1 574 . 1 1 50 50 GLN N N 15 119.1 . . 1 . . . . . . . . 5624 1 575 . 1 1 51 51 LYS H H 1 7.85 . . 1 . . . . . . . . 5624 1 576 . 1 1 51 51 LYS HA H 1 4.10 . . 1 . . . . . . . . 5624 1 577 . 1 1 51 51 LYS HB2 H 1 1.68 . . 1 . . . . . . . . 5624 1 578 . 1 1 51 51 LYS HB3 H 1 1.68 . . 1 . . . . . . . . 5624 1 579 . 1 1 51 51 LYS HG2 H 1 1.30 . . 4 . . . . . . . . 5624 1 580 . 1 1 51 51 LYS HG3 H 1 1.30 . . 4 . . . . . . . . 5624 1 581 . 1 1 51 51 LYS HD2 H 1 1.54 . . 4 . . . . . . . . 5624 1 582 . 1 1 51 51 LYS HD3 H 1 1.54 . . 4 . . . . . . . . 5624 1 583 . 1 1 51 51 LYS HE2 H 1 2.92 . . 1 . . . . . . . . 5624 1 584 . 1 1 51 51 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 5624 1 585 . 1 1 51 51 LYS C C 13 176.3 . . 1 . . . . . . . . 5624 1 586 . 1 1 51 51 LYS CA C 13 57.1 . . 1 . . . . . . . . 5624 1 587 . 1 1 51 51 LYS CB C 13 28.8 . . 1 . . . . . . . . 5624 1 588 . 1 1 51 51 LYS N N 15 119.9 . . 1 . . . . . . . . 5624 1 589 . 1 1 52 52 ASN H H 1 8.08 . . 1 . . . . . . . . 5624 1 590 . 1 1 52 52 ASN HA H 1 4.69 . . 1 . . . . . . . . 5624 1 591 . 1 1 52 52 ASN HB2 H 1 2.73 . . 2 . . . . . . . . 5624 1 592 . 1 1 52 52 ASN HB3 H 1 2.85 . . 2 . . . . . . . . 5624 1 593 . 1 1 52 52 ASN HD21 H 1 6.78 . . 1 . . . . . . . . 5624 1 594 . 1 1 52 52 ASN HD22 H 1 6.78 . . 1 . . . . . . . . 5624 1 595 . 1 1 52 52 ASN C C 13 174.6 . . 1 . . . . . . . . 5624 1 596 . 1 1 52 52 ASN CA C 13 53.4 . . 1 . . . . . . . . 5624 1 597 . 1 1 52 52 ASN CB C 13 39.1 . . 1 . . . . . . . . 5624 1 598 . 1 1 52 52 ASN N N 15 117.9 . . 1 . . . . . . . . 5624 1 599 . 1 1 53 53 SER H H 1 8.01 . . 1 . . . . . . . . 5624 1 600 . 1 1 53 53 SER HA H 1 4.45 . . 1 . . . . . . . . 5624 1 601 . 1 1 53 53 SER HB2 H 1 3.85 . . 1 . . . . . . . . 5624 1 602 . 1 1 53 53 SER HB3 H 1 3.85 . . 1 . . . . . . . . 5624 1 603 . 1 1 53 53 SER C C 13 173.8 . . 1 . . . . . . . . 5624 1 604 . 1 1 53 53 SER CA C 13 58.5 . . 1 . . . . . . . . 5624 1 605 . 1 1 53 53 SER CB C 13 64.1 . . 1 . . . . . . . . 5624 1 606 . 1 1 53 53 SER N N 15 117.9 . . 1 . . . . . . . . 5624 1 607 . 1 1 54 54 GLY H H 1 8.16 . . 1 . . . . . . . . 5624 1 608 . 1 1 54 54 GLY HA2 H 1 4.09 . . 1 . . . . . . . . 5624 1 609 . 1 1 54 54 GLY HA3 H 1 4.09 . . 1 . . . . . . . . 5624 1 610 . 1 1 54 54 GLY C C 13 174.6 . . 1 . . . . . . . . 5624 1 611 . 1 1 54 54 GLY CA C 13 44.9 . . 1 . . . . . . . . 5624 1 612 . 1 1 54 54 GLY N N 15 110.5 . . 1 . . . . . . . . 5624 1 613 . 1 1 55 55 PRO HA H 1 4.37 . . 1 . . . . . . . . 5624 1 614 . 1 1 55 55 PRO HB2 H 1 1.91 . . 2 . . . . . . . . 5624 1 615 . 1 1 55 55 PRO HB3 H 1 2.35 . . 2 . . . . . . . . 5624 1 616 . 1 1 55 55 PRO HG2 H 1 2.06 . . 1 . . . . . . . . 5624 1 617 . 1 1 55 55 PRO HG3 H 1 2.06 . . 1 . . . . . . . . 5624 1 618 . 1 1 55 55 PRO HD2 H 1 3.64 . . 2 . . . . . . . . 5624 1 619 . 1 1 55 55 PRO HD3 H 1 3.84 . . 2 . . . . . . . . 5624 1 620 . 1 1 55 55 PRO CA C 13 63.5 . . 1 . . . . . . . . 5624 1 621 . 1 1 55 55 PRO CB C 13 32.1 . . 1 . . . . . . . . 5624 1 622 . 1 1 55 55 PRO CG C 13 27.8 . . 1 . . . . . . . . 5624 1 623 . 1 1 55 55 PRO CD C 13 51.7 . . 1 . . . . . . . . 5624 1 624 . 1 1 56 56 ASP H H 1 8.34 . . 1 . . . . . . . . 5624 1 625 . 1 1 56 56 ASP HA H 1 4.51 . . 1 . . . . . . . . 5624 1 626 . 1 1 56 56 ASP HB2 H 1 2.64 . . 1 . . . . . . . . 5624 1 627 . 1 1 56 56 ASP HB3 H 1 2.64 . . 1 . . . . . . . . 5624 1 628 . 1 1 56 56 ASP C C 13 177.5 . . 1 . . . . . . . . 5624 1 629 . 1 1 56 56 ASP CA C 13 54.5 . . 1 . . . . . . . . 5624 1 630 . 1 1 56 56 ASP CB C 13 41.1 . . 1 . . . . . . . . 5624 1 631 . 1 1 57 57 LYS H H 1 8.21 . . 1 . . . . . . . . 5624 1 632 . 1 1 57 57 LYS HA H 1 4.14 . . 1 . . . . . . . . 5624 1 633 . 1 1 57 57 LYS HB2 H 1 1.63 . . 1 . . . . . . . . 5624 1 634 . 1 1 57 57 LYS HB3 H 1 1.63 . . 1 . . . . . . . . 5624 1 635 . 1 1 57 57 LYS HG2 H 1 1.43 . . 4 . . . . . . . . 5624 1 636 . 1 1 57 57 LYS HG3 H 1 1.43 . . 4 . . . . . . . . 5624 1 637 . 1 1 57 57 LYS HD2 H 1 1.68 . . 4 . . . . . . . . 5624 1 638 . 1 1 57 57 LYS HD3 H 1 1.68 . . 4 . . . . . . . . 5624 1 639 . 1 1 57 57 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 5624 1 640 . 1 1 57 57 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 5624 1 641 . 1 1 57 57 LYS C C 13 176.0 . . 1 . . . . . . . . 5624 1 642 . 1 1 57 57 LYS CA C 13 57.2 . . 1 . . . . . . . . 5624 1 643 . 1 1 57 57 LYS CB C 13 32.6 . . 1 . . . . . . . . 5624 1 644 . 1 1 57 57 LYS N N 15 121.0 . . 1 . . . . . . . . 5624 1 645 . 1 1 58 58 LEU H H 1 8.11 . . 1 . . . . . . . . 5624 1 646 . 1 1 58 58 LEU HA H 1 4.27 . . 1 . . . . . . . . 5624 1 647 . 1 1 58 58 LEU HB2 H 1 1.57 . . 2 . . . . . . . . 5624 1 648 . 1 1 58 58 LEU HB3 H 1 1.69 . . 2 . . . . . . . . 5624 1 649 . 1 1 58 58 LEU HG H 1 1.38 . . 1 . . . . . . . . 5624 1 650 . 1 1 58 58 LEU HD11 H 1 0.86 . . 1 . . . . . . . . 5624 1 651 . 1 1 58 58 LEU HD12 H 1 0.86 . . 1 . . . . . . . . 5624 1 652 . 1 1 58 58 LEU HD13 H 1 0.86 . . 1 . . . . . . . . 5624 1 653 . 1 1 58 58 LEU HD21 H 1 0.86 . . 1 . . . . . . . . 5624 1 654 . 1 1 58 58 LEU HD22 H 1 0.86 . . 1 . . . . . . . . 5624 1 655 . 1 1 58 58 LEU HD23 H 1 0.86 . . 1 . . . . . . . . 5624 1 656 . 1 1 58 58 LEU C C 13 177.5 . . 1 . . . . . . . . 5624 1 657 . 1 1 58 58 LEU CA C 13 56.0 . . 1 . . . . . . . . 5624 1 658 . 1 1 58 58 LEU CB C 13 42.1 . . 1 . . . . . . . . 5624 1 659 . 1 1 58 58 LEU N N 15 121.4 . . 1 . . . . . . . . 5624 1 660 . 1 1 59 59 THR H H 1 7.93 . . 1 . . . . . . . . 5624 1 661 . 1 1 59 59 THR HA H 1 4.15 . . 1 . . . . . . . . 5624 1 662 . 1 1 59 59 THR HB H 1 4.16 . . 4 . . . . . . . . 5624 1 663 . 1 1 59 59 THR HG21 H 1 1.16 . . 1 . . . . . . . . 5624 1 664 . 1 1 59 59 THR HG22 H 1 1.16 . . 1 . . . . . . . . 5624 1 665 . 1 1 59 59 THR HG23 H 1 1.16 . . 1 . . . . . . . . 5624 1 666 . 1 1 59 59 THR C C 13 174.5 . . 1 . . . . . . . . 5624 1 667 . 1 1 59 59 THR CA C 13 63.0 . . 1 . . . . . . . . 5624 1 668 . 1 1 59 59 THR CB C 13 69.3 . . 1 . . . . . . . . 5624 1 669 . 1 1 59 59 THR N N 15 114.9 . . 1 . . . . . . . . 5624 1 670 . 1 1 60 60 LEU H H 1 7.99 . . 1 . . . . . . . . 5624 1 671 . 1 1 60 60 LEU HA H 1 4.22 . . 1 . . . . . . . . 5624 1 672 . 1 1 60 60 LEU HB2 H 1 1.55 . . 1 . . . . . . . . 5624 1 673 . 1 1 60 60 LEU HB3 H 1 1.55 . . 1 . . . . . . . . 5624 1 674 . 1 1 60 60 LEU HG H 1 1.37 . . 1 . . . . . . . . 5624 1 675 . 1 1 60 60 LEU HD11 H 1 0.83 . . 1 . . . . . . . . 5624 1 676 . 1 1 60 60 LEU HD12 H 1 0.83 . . 1 . . . . . . . . 5624 1 677 . 1 1 60 60 LEU HD13 H 1 0.83 . . 1 . . . . . . . . 5624 1 678 . 1 1 60 60 LEU HD21 H 1 0.83 . . 1 . . . . . . . . 5624 1 679 . 1 1 60 60 LEU HD22 H 1 0.83 . . 1 . . . . . . . . 5624 1 680 . 1 1 60 60 LEU HD23 H 1 0.83 . . 1 . . . . . . . . 5624 1 681 . 1 1 60 60 LEU C C 13 177.0 . . 1 . . . . . . . . 5624 1 682 . 1 1 60 60 LEU CA C 13 55.8 . . 1 . . . . . . . . 5624 1 683 . 1 1 60 60 LEU CB C 13 42.3 . . 1 . . . . . . . . 5624 1 684 . 1 1 60 60 LEU N N 15 123.4 . . 1 . . . . . . . . 5624 1 685 . 1 1 61 61 GLN H H 1 8.13 . . 1 . . . . . . . . 5624 1 686 . 1 1 61 61 GLN HA H 1 4.19 . . 1 . . . . . . . . 5624 1 687 . 1 1 61 61 GLN HB2 H 1 2.08 . . 1 . . . . . . . . 5624 1 688 . 1 1 61 61 GLN HB3 H 1 2.08 . . 1 . . . . . . . . 5624 1 689 . 1 1 61 61 GLN HG2 H 1 2.35 . . 1 . . . . . . . . 5624 1 690 . 1 1 61 61 GLN HG3 H 1 2.35 . . 1 . . . . . . . . 5624 1 691 . 1 1 61 61 GLN C C 13 174.4 . . 1 . . . . . . . . 5624 1 692 . 1 1 61 61 GLN CA C 13 56.1 . . 1 . . . . . . . . 5624 1 693 . 1 1 61 61 GLN CB C 13 30.1 . . 1 . . . . . . . . 5624 1 694 . 1 1 61 61 GLN N N 15 120.3 . . 1 . . . . . . . . 5624 1 695 . 1 1 67 67 THR H H 1 8.15 . . 1 . . . . . . . . 5624 1 696 . 1 1 67 67 THR HA H 1 4.29 . . 1 . . . . . . . . 5624 1 697 . 1 1 67 67 THR HB H 1 4.34 . . 1 . . . . . . . . 5624 1 698 . 1 1 67 67 THR HG21 H 1 1.16 . . 1 . . . . . . . . 5624 1 699 . 1 1 67 67 THR HG22 H 1 1.16 . . 1 . . . . . . . . 5624 1 700 . 1 1 67 67 THR HG23 H 1 1.16 . . 1 . . . . . . . . 5624 1 701 . 1 1 67 67 THR C C 13 173.6 . . 1 . . . . . . . . 5624 1 702 . 1 1 67 67 THR CA C 13 61.8 . . 1 . . . . . . . . 5624 1 703 . 1 1 67 67 THR CB C 13 69.8 . . 1 . . . . . . . . 5624 1 704 . 1 1 67 67 THR N N 15 116.1 . . 1 . . . . . . . . 5624 1 705 . 1 1 68 68 LEU H H 1 8.16 . . 1 . . . . . . . . 5624 1 706 . 1 1 68 68 LEU HA H 1 4.29 . . 1 . . . . . . . . 5624 1 707 . 1 1 68 68 LEU HB2 H 1 1.55 . . 1 . . . . . . . . 5624 1 708 . 1 1 68 68 LEU HB3 H 1 1.55 . . 1 . . . . . . . . 5624 1 709 . 1 1 68 68 LEU HD11 H 1 0.83 . . 2 . . . . . . . . 5624 1 710 . 1 1 68 68 LEU HD12 H 1 0.83 . . 2 . . . . . . . . 5624 1 711 . 1 1 68 68 LEU HD13 H 1 0.83 . . 2 . . . . . . . . 5624 1 712 . 1 1 68 68 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 5624 1 713 . 1 1 68 68 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 5624 1 714 . 1 1 68 68 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 5624 1 715 . 1 1 68 68 LEU C C 13 175.6 . . 1 . . . . . . . . 5624 1 716 . 1 1 68 68 LEU CA C 13 55.3 . . 1 . . . . . . . . 5624 1 717 . 1 1 68 68 LEU CB C 13 42.5 . . 1 . . . . . . . . 5624 1 718 . 1 1 68 68 LEU N N 15 125.0 . . 1 . . . . . . . . 5624 1 719 . 1 1 69 69 ASN H H 1 7.81 . . 1 . . . . . . . . 5624 1 720 . 1 1 69 69 ASN HA H 1 4.11 . . 1 . . . . . . . . 5624 1 721 . 1 1 69 69 ASN HB2 H 1 2.05 . . 1 . . . . . . . . 5624 1 722 . 1 1 69 69 ASN HB3 H 1 2.05 . . 1 . . . . . . . . 5624 1 723 . 1 1 69 69 ASN C C 13 177.2 . . 1 . . . . . . . . 5624 1 724 . 1 1 69 69 ASN CA C 13 57.3 . . 1 . . . . . . . . 5624 1 725 . 1 1 69 69 ASN CB C 13 30.7 . . 1 . . . . . . . . 5624 1 726 . 1 1 69 69 ASN N N 15 125.7 . . 1 . . . . . . . . 5624 1 727 . 1 1 70 70 ILE H H 1 8.01 . . 1 . . . . . . . . 5624 1 728 . 1 1 70 70 ILE HA H 1 4.41 . . 1 . . . . . . . . 5624 1 729 . 1 1 70 70 ILE HB H 1 1.82 . . 1 . . . . . . . . 5624 1 730 . 1 1 70 70 ILE HG12 H 1 1.11 . . 2 . . . . . . . . 5624 1 731 . 1 1 70 70 ILE HG13 H 1 1.43 . . 2 . . . . . . . . 5624 1 732 . 1 1 70 70 ILE HG21 H 1 0.90 . . 1 . . . . . . . . 5624 1 733 . 1 1 70 70 ILE HG22 H 1 0.90 . . 1 . . . . . . . . 5624 1 734 . 1 1 70 70 ILE HG23 H 1 0.90 . . 1 . . . . . . . . 5624 1 735 . 1 1 70 70 ILE HD11 H 1 0.82 . . 1 . . . . . . . . 5624 1 736 . 1 1 70 70 ILE HD12 H 1 0.82 . . 1 . . . . . . . . 5624 1 737 . 1 1 70 70 ILE HD13 H 1 0.82 . . 1 . . . . . . . . 5624 1 738 . 1 1 70 70 ILE C C 13 174.0 . . 1 . . . . . . . . 5624 1 739 . 1 1 70 70 ILE CA C 13 59.0 . . 1 . . . . . . . . 5624 1 740 . 1 1 70 70 ILE CB C 13 38.7 . . 1 . . . . . . . . 5624 1 741 . 1 1 70 70 ILE CG1 C 13 27.7 . . 1 . . . . . . . . 5624 1 742 . 1 1 70 70 ILE CG2 C 13 17.3 . . 1 . . . . . . . . 5624 1 743 . 1 1 70 70 ILE CD1 C 13 13.1 . . 1 . . . . . . . . 5624 1 744 . 1 1 70 70 ILE N N 15 122.6 . . 1 . . . . . . . . 5624 1 745 . 1 1 71 71 PRO HA H 1 4.39 . . 1 . . . . . . . . 5624 1 746 . 1 1 71 71 PRO HB2 H 1 2.25 . . 1 . . . . . . . . 5624 1 747 . 1 1 71 71 PRO HB3 H 1 2.25 . . 1 . . . . . . . . 5624 1 748 . 1 1 71 71 PRO HG2 H 1 1.93 . . 1 . . . . . . . . 5624 1 749 . 1 1 71 71 PRO HG3 H 1 1.93 . . 1 . . . . . . . . 5624 1 750 . 1 1 71 71 PRO HD2 H 1 3.65 . . 1 . . . . . . . . 5624 1 751 . 1 1 71 71 PRO HD3 H 1 3.65 . . 1 . . . . . . . . 5624 1 752 . 1 1 71 71 PRO C C 13 176.8 . . 1 . . . . . . . . 5624 1 753 . 1 1 71 71 PRO CA C 13 63.6 . . 1 . . . . . . . . 5624 1 754 . 1 1 71 71 PRO CB C 13 32.3 . . 1 . . . . . . . . 5624 1 755 . 1 1 72 72 GLY H H 1 8.42 . . 1 . . . . . . . . 5624 1 756 . 1 1 72 72 GLY HA2 H 1 3.99 . . 1 . . . . . . . . 5624 1 757 . 1 1 72 72 GLY HA3 H 1 3.99 . . 1 . . . . . . . . 5624 1 758 . 1 1 72 72 GLY C C 13 174.0 . . 1 . . . . . . . . 5624 1 759 . 1 1 72 72 GLY CA C 13 45.4 . . 1 . . . . . . . . 5624 1 760 . 1 1 72 72 GLY N N 15 109.3 . . 1 . . . . . . . . 5624 1 761 . 1 1 73 73 THR H H 1 8.02 . . 1 . . . . . . . . 5624 1 762 . 1 1 73 73 THR HA H 1 4.34 . . 1 . . . . . . . . 5624 1 763 . 1 1 73 73 THR HG21 H 1 1.17 . . 1 . . . . . . . . 5624 1 764 . 1 1 73 73 THR HG22 H 1 1.17 . . 1 . . . . . . . . 5624 1 765 . 1 1 73 73 THR HG23 H 1 1.17 . . 1 . . . . . . . . 5624 1 766 . 1 1 73 73 THR C C 13 174.8 . . 1 . . . . . . . . 5624 1 767 . 1 1 73 73 THR CA C 13 62.0 . . 1 . . . . . . . . 5624 1 768 . 1 1 73 73 THR CB C 13 69.9 . . 1 . . . . . . . . 5624 1 769 . 1 1 73 73 THR N N 15 112.5 . . 1 . . . . . . . . 5624 1 770 . 1 1 74 74 GLY H H 1 8.49 . . 1 . . . . . . . . 5624 1 771 . 1 1 74 74 GLY HA2 H 1 3.94 . . 1 . . . . . . . . 5624 1 772 . 1 1 74 74 GLY HA3 H 1 3.94 . . 1 . . . . . . . . 5624 1 773 . 1 1 74 74 GLY C C 13 174.1 . . 1 . . . . . . . . 5624 1 774 . 1 1 74 74 GLY CA C 13 45.4 . . 1 . . . . . . . . 5624 1 775 . 1 1 74 74 GLY N N 15 111.2 . . 1 . . . . . . . . 5624 1 776 . 1 1 75 75 GLY H H 1 8.24 . . 1 . . . . . . . . 5624 1 777 . 1 1 75 75 GLY HA2 H 1 3.91 . . 1 . . . . . . . . 5624 1 778 . 1 1 75 75 GLY HA3 H 1 3.91 . . 1 . . . . . . . . 5624 1 779 . 1 1 75 75 GLY C C 13 176.0 . . 1 . . . . . . . . 5624 1 780 . 1 1 75 75 GLY CA C 13 45.4 . . 1 . . . . . . . . 5624 1 781 . 1 1 75 75 GLY N N 15 108.6 . . 1 . . . . . . . . 5624 1 782 . 1 1 76 76 LYS H H 1 8.11 . . 1 . . . . . . . . 5624 1 783 . 1 1 76 76 LYS HA H 1 4.32 . . 1 . . . . . . . . 5624 1 784 . 1 1 76 76 LYS HB2 H 1 1.73 . . 2 . . . . . . . . 5624 1 785 . 1 1 76 76 LYS HB3 H 1 1.81 . . 2 . . . . . . . . 5624 1 786 . 1 1 76 76 LYS HG2 H 1 1.39 . . 1 . . . . . . . . 5624 1 787 . 1 1 76 76 LYS HG3 H 1 1.39 . . 1 . . . . . . . . 5624 1 788 . 1 1 76 76 LYS HD2 H 1 1.65 . . 1 . . . . . . . . 5624 1 789 . 1 1 76 76 LYS HD3 H 1 1.65 . . 1 . . . . . . . . 5624 1 790 . 1 1 76 76 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 5624 1 791 . 1 1 76 76 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 5624 1 792 . 1 1 76 76 LYS C C 13 175.8 . . 1 . . . . . . . . 5624 1 793 . 1 1 76 76 LYS CA C 13 56.3 . . 1 . . . . . . . . 5624 1 794 . 1 1 76 76 LYS CB C 13 33.1 . . 1 . . . . . . . . 5624 1 795 . 1 1 76 76 LYS N N 15 121.1 . . 1 . . . . . . . . 5624 1 796 . 1 1 77 77 SER H H 1 8.25 . . 1 . . . . . . . . 5624 1 797 . 1 1 77 77 SER HA H 1 4.40 . . 1 . . . . . . . . 5624 1 798 . 1 1 77 77 SER HB2 H 1 3.82 . . 1 . . . . . . . . 5624 1 799 . 1 1 77 77 SER HB3 H 1 3.82 . . 1 . . . . . . . . 5624 1 800 . 1 1 77 77 SER C C 13 173.9 . . 1 . . . . . . . . 5624 1 801 . 1 1 77 77 SER CA C 13 58.4 . . 1 . . . . . . . . 5624 1 802 . 1 1 77 77 SER CB C 13 63.8 . . 1 . . . . . . . . 5624 1 803 . 1 1 77 77 SER N N 15 116.8 . . 1 . . . . . . . . 5624 1 804 . 1 1 78 78 LYS H H 1 8.31 . . 1 . . . . . . . . 5624 1 805 . 1 1 78 78 LYS HA H 1 4.27 . . 1 . . . . . . . . 5624 1 806 . 1 1 78 78 LYS HB2 H 1 1.74 . . 1 . . . . . . . . 5624 1 807 . 1 1 78 78 LYS HB3 H 1 1.74 . . 1 . . . . . . . . 5624 1 808 . 1 1 78 78 LYS HG2 H 1 1.41 . . 4 . . . . . . . . 5624 1 809 . 1 1 78 78 LYS HG3 H 1 1.41 . . 4 . . . . . . . . 5624 1 810 . 1 1 78 78 LYS HD2 H 1 1.69 . . 4 . . . . . . . . 5624 1 811 . 1 1 78 78 LYS HD3 H 1 1.69 . . 4 . . . . . . . . 5624 1 812 . 1 1 78 78 LYS HE2 H 1 2.93 . . 1 . . . . . . . . 5624 1 813 . 1 1 78 78 LYS HE3 H 1 2.93 . . 1 . . . . . . . . 5624 1 814 . 1 1 78 78 LYS C C 13 175.8 . . 1 . . . . . . . . 5624 1 815 . 1 1 78 78 LYS CA C 13 56.3 . . 1 . . . . . . . . 5624 1 816 . 1 1 78 78 LYS CB C 13 33.0 . . 1 . . . . . . . . 5624 1 817 . 1 1 78 78 LYS N N 15 123.9 . . 1 . . . . . . . . 5624 1 818 . 1 1 79 79 SER H H 1 8.25 . . 1 . . . . . . . . 5624 1 819 . 1 1 79 79 SER HA H 1 4.47 . . 1 . . . . . . . . 5624 1 820 . 1 1 79 79 SER HB2 H 1 3.84 . . 1 . . . . . . . . 5624 1 821 . 1 1 79 79 SER HB3 H 1 3.84 . . 1 . . . . . . . . 5624 1 822 . 1 1 79 79 SER C C 13 173.9 . . 1 . . . . . . . . 5624 1 823 . 1 1 79 79 SER CA C 13 58.4 . . 1 . . . . . . . . 5624 1 824 . 1 1 79 79 SER CB C 13 63.8 . . 1 . . . . . . . . 5624 1 825 . 1 1 79 79 SER N N 15 116.8 . . 1 . . . . . . . . 5624 1 826 . 1 1 80 80 VAL H H 1 8.09 . . 1 . . . . . . . . 5624 1 827 . 1 1 80 80 VAL HA H 1 4.09 . . 1 . . . . . . . . 5624 1 828 . 1 1 80 80 VAL HB H 1 2.02 . . 1 . . . . . . . . 5624 1 829 . 1 1 80 80 VAL HG11 H 1 0.88 . . 4 . . . . . . . . 5624 1 830 . 1 1 80 80 VAL HG12 H 1 0.88 . . 4 . . . . . . . . 5624 1 831 . 1 1 80 80 VAL HG13 H 1 0.88 . . 4 . . . . . . . . 5624 1 832 . 1 1 80 80 VAL HG21 H 1 0.88 . . 4 . . . . . . . . 5624 1 833 . 1 1 80 80 VAL HG22 H 1 0.88 . . 4 . . . . . . . . 5624 1 834 . 1 1 80 80 VAL HG23 H 1 0.88 . . 4 . . . . . . . . 5624 1 835 . 1 1 80 80 VAL C C 13 175.2 . . 1 . . . . . . . . 5624 1 836 . 1 1 80 80 VAL CA C 13 62.3 . . 1 . . . . . . . . 5624 1 837 . 1 1 80 80 VAL CB C 13 32.8 . . 1 . . . . . . . . 5624 1 838 . 1 1 80 80 VAL CG1 C 13 20.8 . . 4 . . . . . . . . 5624 1 839 . 1 1 80 80 VAL CG2 C 13 20.8 . . 4 . . . . . . . . 5624 1 840 . 1 1 80 80 VAL N N 15 121.8 . . 1 . . . . . . . . 5624 1 841 . 1 1 81 81 GLN H H 1 8.34 . . 1 . . . . . . . . 5624 1 842 . 1 1 81 81 GLN HA H 1 4.32 . . 1 . . . . . . . . 5624 1 843 . 1 1 81 81 GLN HB2 H 1 1.91 . . 2 . . . . . . . . 5624 1 844 . 1 1 81 81 GLN HB3 H 1 2.01 . . 2 . . . . . . . . 5624 1 845 . 1 1 81 81 GLN HG2 H 1 2.30 . . 1 . . . . . . . . 5624 1 846 . 1 1 81 81 GLN HG3 H 1 2.30 . . 1 . . . . . . . . 5624 1 847 . 1 1 81 81 GLN C C 13 175.1 . . 1 . . . . . . . . 5624 1 848 . 1 1 81 81 GLN CA C 13 55.7 . . 1 . . . . . . . . 5624 1 849 . 1 1 81 81 GLN CB C 13 29.6 . . 1 . . . . . . . . 5624 1 850 . 1 1 81 81 GLN N N 15 124.2 . . 1 . . . . . . . . 5624 1 851 . 1 1 82 82 ILE H H 1 8.13 . . 1 . . . . . . . . 5624 1 852 . 1 1 82 82 ILE HA H 1 4.08 . . 1 . . . . . . . . 5624 1 853 . 1 1 82 82 ILE HB H 1 1.78 . . 1 . . . . . . . . 5624 1 854 . 1 1 82 82 ILE HG12 H 1 1.41 . . 1 . . . . . . . . 5624 1 855 . 1 1 82 82 ILE HG13 H 1 1.41 . . 1 . . . . . . . . 5624 1 856 . 1 1 82 82 ILE HG21 H 1 1.13 . . 1 . . . . . . . . 5624 1 857 . 1 1 82 82 ILE HG22 H 1 1.13 . . 1 . . . . . . . . 5624 1 858 . 1 1 82 82 ILE HG23 H 1 1.13 . . 1 . . . . . . . . 5624 1 859 . 1 1 82 82 ILE HD11 H 1 0.83 . . 1 . . . . . . . . 5624 1 860 . 1 1 82 82 ILE HD12 H 1 0.83 . . 1 . . . . . . . . 5624 1 861 . 1 1 82 82 ILE HD13 H 1 0.83 . . 1 . . . . . . . . 5624 1 862 . 1 1 82 82 ILE C C 13 175.3 . . 1 . . . . . . . . 5624 1 863 . 1 1 82 82 ILE CA C 13 61.1 . . 1 . . . . . . . . 5624 1 864 . 1 1 82 82 ILE CB C 13 38.8 . . 1 . . . . . . . . 5624 1 865 . 1 1 82 82 ILE CD1 C 13 17.3 . . 1 . . . . . . . . 5624 1 866 . 1 1 82 82 ILE N N 15 122.7 . . 1 . . . . . . . . 5624 1 867 . 1 1 83 83 GLU H H 1 8.39 . . 1 . . . . . . . . 5624 1 868 . 1 1 83 83 GLU HA H 1 4.27 . . 1 . . . . . . . . 5624 1 869 . 1 1 83 83 GLU HB2 H 1 1.91 . . 1 . . . . . . . . 5624 1 870 . 1 1 83 83 GLU HB3 H 1 1.91 . . 1 . . . . . . . . 5624 1 871 . 1 1 83 83 GLU HG2 H 1 2.16 . . 1 . . . . . . . . 5624 1 872 . 1 1 83 83 GLU HG3 H 1 2.16 . . 1 . . . . . . . . 5624 1 873 . 1 1 83 83 GLU C C 13 175.6 . . 1 . . . . . . . . 5624 1 874 . 1 1 83 83 GLU CA C 13 56.6 . . 1 . . . . . . . . 5624 1 875 . 1 1 83 83 GLU CB C 13 30.6 . . 1 . . . . . . . . 5624 1 876 . 1 1 83 83 GLU N N 15 125.4 . . 1 . . . . . . . . 5624 1 877 . 1 1 84 84 VAL H H 1 8.20 . . 1 . . . . . . . . 5624 1 878 . 1 1 84 84 VAL HA H 1 4.00 . . 1 . . . . . . . . 5624 1 879 . 1 1 84 84 VAL HB H 1 2.03 . . 1 . . . . . . . . 5624 1 880 . 1 1 84 84 VAL HG11 H 1 0.88 . . 1 . . . . . . . . 5624 1 881 . 1 1 84 84 VAL HG12 H 1 0.88 . . 1 . . . . . . . . 5624 1 882 . 1 1 84 84 VAL HG13 H 1 0.88 . . 1 . . . . . . . . 5624 1 883 . 1 1 84 84 VAL HG21 H 1 0.88 . . 1 . . . . . . . . 5624 1 884 . 1 1 84 84 VAL HG22 H 1 0.88 . . 1 . . . . . . . . 5624 1 885 . 1 1 84 84 VAL HG23 H 1 0.88 . . 1 . . . . . . . . 5624 1 886 . 1 1 84 84 VAL C C 13 175.6 . . 1 . . . . . . . . 5624 1 887 . 1 1 84 84 VAL CA C 13 62.7 . . 1 . . . . . . . . 5624 1 888 . 1 1 84 84 VAL CB C 13 32.7 . . 1 . . . . . . . . 5624 1 889 . 1 1 84 84 VAL N N 15 122.5 . . 1 . . . . . . . . 5624 1 890 . 1 1 85 85 ARG H H 1 8.32 . . 1 . . . . . . . . 5624 1 891 . 1 1 85 85 ARG HA H 1 4.28 . . 1 . . . . . . . . 5624 1 892 . 1 1 85 85 ARG HB2 H 1 1.74 . . 2 . . . . . . . . 5624 1 893 . 1 1 85 85 ARG HB3 H 1 1.93 . . 2 . . . . . . . . 5624 1 894 . 1 1 85 85 ARG HG2 H 1 1.57 . . 1 . . . . . . . . 5624 1 895 . 1 1 85 85 ARG HG3 H 1 1.57 . . 1 . . . . . . . . 5624 1 896 . 1 1 85 85 ARG HD2 H 1 3.14 . . 1 . . . . . . . . 5624 1 897 . 1 1 85 85 ARG HD3 H 1 3.14 . . 1 . . . . . . . . 5624 1 898 . 1 1 85 85 ARG C C 13 175.6 . . 1 . . . . . . . . 5624 1 899 . 1 1 85 85 ARG CA C 13 56.2 . . 1 . . . . . . . . 5624 1 900 . 1 1 85 85 ARG CB C 13 30.7 . . 1 . . . . . . . . 5624 1 901 . 1 1 85 85 ARG N N 15 124.4 . . 1 . . . . . . . . 5624 1 902 . 1 1 86 86 LYS H H 1 8.22 . . 1 . . . . . . . . 5624 1 903 . 1 1 86 86 LYS HA H 1 4.22 . . 1 . . . . . . . . 5624 1 904 . 1 1 86 86 LYS HB2 H 1 1.70 . . 1 . . . . . . . . 5624 1 905 . 1 1 86 86 LYS HB3 H 1 1.70 . . 1 . . . . . . . . 5624 1 906 . 1 1 86 86 LYS HG2 H 1 1.37 . . 1 . . . . . . . . 5624 1 907 . 1 1 86 86 LYS HG3 H 1 1.37 . . 1 . . . . . . . . 5624 1 908 . 1 1 86 86 LYS CA C 13 56.5 . . 1 . . . . . . . . 5624 1 909 . 1 1 86 86 LYS CB C 13 32.8 . . 1 . . . . . . . . 5624 1 910 . 1 1 86 86 LYS N N 15 122.5 . . 1 . . . . . . . . 5624 1 911 . 1 1 89 89 THR H H 1 8.03 . . 1 . . . . . . . . 5624 1 912 . 1 1 89 89 THR HA H 1 4.27 . . 1 . . . . . . . . 5624 1 913 . 1 1 89 89 THR HB H 1 4.27 . . 4 . . . . . . . . 5624 1 914 . 1 1 89 89 THR HG21 H 1 1.15 . . 1 . . . . . . . . 5624 1 915 . 1 1 89 89 THR HG22 H 1 1.15 . . 1 . . . . . . . . 5624 1 916 . 1 1 89 89 THR HG23 H 1 1.15 . . 1 . . . . . . . . 5624 1 917 . 1 1 89 89 THR C C 13 173.1 . . 1 . . . . . . . . 5624 1 918 . 1 1 89 89 THR CA C 13 61.8 . . 1 . . . . . . . . 5624 1 919 . 1 1 89 89 THR CB C 13 69.4 . . 1 . . . . . . . . 5624 1 920 . 1 1 89 89 THR N N 15 115.2 . . 1 . . . . . . . . 5624 1 921 . 1 1 90 90 PHE H H 1 8.28 . . 1 . . . . . . . . 5624 1 922 . 1 1 90 90 PHE HA H 1 4.62 . . 1 . . . . . . . . 5624 1 923 . 1 1 90 90 PHE HB2 H 1 2.95 . . 2 . . . . . . . . 5624 1 924 . 1 1 90 90 PHE HB3 H 1 3.06 . . 2 . . . . . . . . 5624 1 925 . 1 1 90 90 PHE HD1 H 1 7.17 . . 1 . . . . . . . . 5624 1 926 . 1 1 90 90 PHE HD2 H 1 7.17 . . 1 . . . . . . . . 5624 1 927 . 1 1 90 90 PHE HE1 H 1 7.26 . . 1 . . . . . . . . 5624 1 928 . 1 1 90 90 PHE HE2 H 1 7.26 . . 1 . . . . . . . . 5624 1 929 . 1 1 90 90 PHE HZ H 1 7.22 . . 1 . . . . . . . . 5624 1 930 . 1 1 90 90 PHE C C 13 174.5 . . 1 . . . . . . . . 5624 1 931 . 1 1 90 90 PHE CA C 13 57.6 . . 1 . . . . . . . . 5624 1 932 . 1 1 90 90 PHE CB C 13 40.0 . . 1 . . . . . . . . 5624 1 933 . 1 1 90 90 PHE N N 15 122.8 . . 1 . . . . . . . . 5624 1 934 . 1 1 91 91 VAL H H 1 7.99 . . 1 . . . . . . . . 5624 1 935 . 1 1 91 91 VAL HA H 1 4.00 . . 1 . . . . . . . . 5624 1 936 . 1 1 91 91 VAL HB H 1 1.92 . . 1 . . . . . . . . 5624 1 937 . 1 1 91 91 VAL HG11 H 1 0.83 . . 4 . . . . . . . . 5624 1 938 . 1 1 91 91 VAL HG12 H 1 0.83 . . 4 . . . . . . . . 5624 1 939 . 1 1 91 91 VAL HG13 H 1 0.83 . . 4 . . . . . . . . 5624 1 940 . 1 1 91 91 VAL HG21 H 1 0.83 . . 4 . . . . . . . . 5624 1 941 . 1 1 91 91 VAL HG22 H 1 0.83 . . 4 . . . . . . . . 5624 1 942 . 1 1 91 91 VAL HG23 H 1 0.83 . . 4 . . . . . . . . 5624 1 943 . 1 1 91 91 VAL C C 13 174.7 . . 1 . . . . . . . . 5624 1 944 . 1 1 91 91 VAL CA C 13 62.1 . . 1 . . . . . . . . 5624 1 945 . 1 1 91 91 VAL CB C 13 33.2 . . 1 . . . . . . . . 5624 1 946 . 1 1 91 91 VAL N N 15 122.6 . . 1 . . . . . . . . 5624 1 947 . 1 1 92 92 LYS H H 1 8.24 . . 1 . . . . . . . . 5624 1 948 . 1 1 92 92 LYS HA H 1 4.19 . . 1 . . . . . . . . 5624 1 949 . 1 1 92 92 LYS HB2 H 1 1.67 . . 1 . . . . . . . . 5624 1 950 . 1 1 92 92 LYS HB3 H 1 1.67 . . 1 . . . . . . . . 5624 1 951 . 1 1 92 92 LYS HG2 H 1 1.37 . . 4 . . . . . . . . 5624 1 952 . 1 1 92 92 LYS HG3 H 1 1.37 . . 4 . . . . . . . . 5624 1 953 . 1 1 92 92 LYS HD2 H 1 1.75 . . 4 . . . . . . . . 5624 1 954 . 1 1 92 92 LYS HD3 H 1 1.75 . . 4 . . . . . . . . 5624 1 955 . 1 1 92 92 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 5624 1 956 . 1 1 92 92 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 5624 1 957 . 1 1 92 92 LYS C C 13 175.3 . . 1 . . . . . . . . 5624 1 958 . 1 1 92 92 LYS CA C 13 56.3 . . 1 . . . . . . . . 5624 1 959 . 1 1 92 92 LYS CB C 13 33.1 . . 1 . . . . . . . . 5624 1 960 . 1 1 92 92 LYS N N 15 125.4 . . 1 . . . . . . . . 5624 1 961 . 1 1 93 93 ARG H H 1 8.32 . . 1 . . . . . . . . 5624 1 962 . 1 1 93 93 ARG HA H 1 4.28 . . 1 . . . . . . . . 5624 1 963 . 1 1 93 93 ARG HB2 H 1 1.70 . . 1 . . . . . . . . 5624 1 964 . 1 1 93 93 ARG HB3 H 1 1.70 . . 1 . . . . . . . . 5624 1 965 . 1 1 93 93 ARG HG2 H 1 1.55 . . 1 . . . . . . . . 5624 1 966 . 1 1 93 93 ARG HG3 H 1 1.55 . . 1 . . . . . . . . 5624 1 967 . 1 1 93 93 ARG HD2 H 1 3.08 . . 1 . . . . . . . . 5624 1 968 . 1 1 93 93 ARG HD3 H 1 3.08 . . 1 . . . . . . . . 5624 1 969 . 1 1 93 93 ARG C C 13 174.9 . . 1 . . . . . . . . 5624 1 970 . 1 1 93 93 ARG CA C 13 55.8 . . 1 . . . . . . . . 5624 1 971 . 1 1 93 93 ARG CB C 13 31.3 . . 1 . . . . . . . . 5624 1 972 . 1 1 93 93 ARG N N 15 123.1 . . 1 . . . . . . . . 5624 1 973 . 1 1 94 94 ASP H H 1 8.44 . . 1 . . . . . . . . 5624 1 974 . 1 1 94 94 ASP HA H 1 4.81 . . 1 . . . . . . . . 5624 1 975 . 1 1 94 94 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 5624 1 976 . 1 1 94 94 ASP HB3 H 1 2.85 . . 2 . . . . . . . . 5624 1 977 . 1 1 94 94 ASP C C 13 174.5 . . 1 . . . . . . . . 5624 1 978 . 1 1 94 94 ASP CA C 13 52.4 . . 1 . . . . . . . . 5624 1 979 . 1 1 94 94 ASP CB C 13 41.7 . . 1 . . . . . . . . 5624 1 980 . 1 1 94 94 ASP N N 15 124.0 . . 1 . . . . . . . . 5624 1 981 . 1 1 95 95 PRO HA H 1 4.32 . . 1 . . . . . . . . 5624 1 982 . 1 1 95 95 PRO HB2 H 1 2.32 . . 1 . . . . . . . . 5624 1 983 . 1 1 95 95 PRO HB3 H 1 2.32 . . 1 . . . . . . . . 5624 1 984 . 1 1 95 95 PRO HG2 H 1 1.97 . . 1 . . . . . . . . 5624 1 985 . 1 1 95 95 PRO HG3 H 1 1.97 . . 1 . . . . . . . . 5624 1 986 . 1 1 95 95 PRO HD2 H 1 3.84 . . 1 . . . . . . . . 5624 1 987 . 1 1 95 95 PRO HD3 H 1 3.84 . . 1 . . . . . . . . 5624 1 988 . 1 1 95 95 PRO C C 13 177.5 . . 1 . . . . . . . . 5624 1 989 . 1 1 95 95 PRO CA C 13 64.6 . . 1 . . . . . . . . 5624 1 990 . 1 1 95 95 PRO CB C 13 32.2 . . 1 . . . . . . . . 5624 1 991 . 1 1 96 96 GLN H H 1 8.45 . . 1 . . . . . . . . 5624 1 992 . 1 1 96 96 GLN HA H 1 4.08 . . 1 . . . . . . . . 5624 1 993 . 1 1 96 96 GLN HB2 H 1 1.91 . . 1 . . . . . . . . 5624 1 994 . 1 1 96 96 GLN HB3 H 1 2.11 . . 1 . . . . . . . . 5624 1 995 . 1 1 96 96 GLN HG2 H 1 2.38 . . 1 . . . . . . . . 5624 1 996 . 1 1 96 96 GLN HG3 H 1 2.38 . . 1 . . . . . . . . 5624 1 997 . 1 1 96 96 GLN C C 13 178.4 . . 1 . . . . . . . . 5624 1 998 . 1 1 96 96 GLN CA C 13 59.4 . . 1 . . . . . . . . 5624 1 999 . 1 1 96 96 GLN CB C 13 28.2 . . 1 . . . . . . . . 5624 1 1000 . 1 1 96 96 GLN N N 15 117.9 . . 1 . . . . . . . . 5624 1 1001 . 1 1 97 97 GLU HA H 1 4.14 . . 1 . . . . . . . . 5624 1 1002 . 1 1 97 97 GLU HB2 H 1 1.94 . . 1 . . . . . . . . 5624 1 1003 . 1 1 97 97 GLU HB3 H 1 1.94 . . 1 . . . . . . . . 5624 1 1004 . 1 1 97 97 GLU C C 13 178.5 . . 1 . . . . . . . . 5624 1 1005 . 1 1 97 97 GLU CA C 13 58.8 . . 1 . . . . . . . . 5624 1 1006 . 1 1 97 97 GLU CB C 13 30.1 . . 1 . . . . . . . . 5624 1 1007 . 1 1 98 98 ALA H H 1 7.97 . . 1 . . . . . . . . 5624 1 1008 . 1 1 98 98 ALA HA H 1 4.17 . . 1 . . . . . . . . 5624 1 1009 . 1 1 98 98 ALA HB1 H 1 1.49 . . 1 . . . . . . . . 5624 1 1010 . 1 1 98 98 ALA HB2 H 1 1.49 . . 1 . . . . . . . . 5624 1 1011 . 1 1 98 98 ALA HB3 H 1 1.49 . . 1 . . . . . . . . 5624 1 1012 . 1 1 98 98 ALA C C 13 179.8 . . 1 . . . . . . . . 5624 1 1013 . 1 1 98 98 ALA CA C 13 55.0 . . 1 . . . . . . . . 5624 1 1014 . 1 1 98 98 ALA CB C 13 17.7 . . 1 . . . . . . . . 5624 1 1015 . 1 1 98 98 ALA N N 15 121.7 . . 1 . . . . . . . . 5624 1 1016 . 1 1 99 99 GLU H H 1 8.27 . . 1 . . . . . . . . 5624 1 1017 . 1 1 99 99 GLU HA H 1 4.11 . . 1 . . . . . . . . 5624 1 1018 . 1 1 99 99 GLU HB2 H 1 2.15 . . 1 . . . . . . . . 5624 1 1019 . 1 1 99 99 GLU HB3 H 1 2.15 . . 1 . . . . . . . . 5624 1 1020 . 1 1 99 99 GLU HG2 H 1 2.40 . . 1 . . . . . . . . 5624 1 1021 . 1 1 99 99 GLU HG3 H 1 2.40 . . 1 . . . . . . . . 5624 1 1022 . 1 1 99 99 GLU C C 13 178.3 . . 1 . . . . . . . . 5624 1 1023 . 1 1 99 99 GLU CA C 13 59.5 . . 1 . . . . . . . . 5624 1 1024 . 1 1 99 99 GLU CB C 13 30.2 . . 1 . . . . . . . . 5624 1 1025 . 1 1 99 99 GLU N N 15 120.5 . . 1 . . . . . . . . 5624 1 1026 . 1 1 100 100 ARG H H 1 8.18 . . 1 . . . . . . . . 5624 1 1027 . 1 1 100 100 ARG HA H 1 4.08 . . 1 . . . . . . . . 5624 1 1028 . 1 1 100 100 ARG HB2 H 1 2.08 . . 1 . . . . . . . . 5624 1 1029 . 1 1 100 100 ARG HB3 H 1 2.08 . . 1 . . . . . . . . 5624 1 1030 . 1 1 100 100 ARG HG2 H 1 2.38 . . 1 . . . . . . . . 5624 1 1031 . 1 1 100 100 ARG HG3 H 1 2.38 . . 1 . . . . . . . . 5624 1 1032 . 1 1 100 100 ARG HD2 H 1 2.94 . . 1 . . . . . . . . 5624 1 1033 . 1 1 100 100 ARG HD3 H 1 2.94 . . 1 . . . . . . . . 5624 1 1034 . 1 1 100 100 ARG C C 13 178.2 . . 1 . . . . . . . . 5624 1 1035 . 1 1 100 100 ARG CA C 13 59.2 . . 1 . . . . . . . . 5624 1 1036 . 1 1 100 100 ARG CB C 13 29.2 . . 1 . . . . . . . . 5624 1 1037 . 1 1 100 100 ARG N N 15 120.7 . . 1 . . . . . . . . 5624 1 1038 . 1 1 101 101 LEU H H 1 8.01 . . 1 . . . . . . . . 5624 1 1039 . 1 1 101 101 LEU HA H 1 4.41 . . 1 . . . . . . . . 5624 1 1040 . 1 1 101 101 LEU HB2 H 1 1.82 . . 1 . . . . . . . . 5624 1 1041 . 1 1 101 101 LEU HB3 H 1 1.82 . . 1 . . . . . . . . 5624 1 1042 . 1 1 101 101 LEU HG H 1 1.44 . . 1 . . . . . . . . 5624 1 1043 . 1 1 101 101 LEU HD11 H 1 0.81 . . 4 . . . . . . . . 5624 1 1044 . 1 1 101 101 LEU HD12 H 1 0.81 . . 4 . . . . . . . . 5624 1 1045 . 1 1 101 101 LEU HD13 H 1 0.81 . . 4 . . . . . . . . 5624 1 1046 . 1 1 101 101 LEU HD21 H 1 0.88 . . 4 . . . . . . . . 5624 1 1047 . 1 1 101 101 LEU HD22 H 1 0.88 . . 4 . . . . . . . . 5624 1 1048 . 1 1 101 101 LEU HD23 H 1 0.88 . . 4 . . . . . . . . 5624 1 1049 . 1 1 101 101 LEU C C 13 173.8 . . 1 . . . . . . . . 5624 1 1050 . 1 1 101 101 LEU CA C 13 58.8 . . 1 . . . . . . . . 5624 1 1051 . 1 1 101 101 LEU CB C 13 38.8 . . 1 . . . . . . . . 5624 1 1052 . 1 1 101 101 LEU N N 15 122.8 . . 1 . . . . . . . . 5624 1 1053 . 1 1 102 102 ALA H H 1 8.01 . . 1 . . . . . . . . 5624 1 1054 . 1 1 102 102 ALA HA H 1 4.19 . . 1 . . . . . . . . 5624 1 1055 . 1 1 102 102 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 5624 1 1056 . 1 1 102 102 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 5624 1 1057 . 1 1 102 102 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 5624 1 1058 . 1 1 102 102 ALA C C 13 179.4 . . 1 . . . . . . . . 5624 1 1059 . 1 1 102 102 ALA CA C 13 54.5 . . 1 . . . . . . . . 5624 1 1060 . 1 1 102 102 ALA CB C 13 18.2 . . 1 . . . . . . . . 5624 1 1061 . 1 1 102 102 ALA N N 15 122.3 . . 1 . . . . . . . . 5624 1 1062 . 1 1 103 103 ALA H H 1 7.91 . . 1 . . . . . . . . 5624 1 1063 . 1 1 103 103 ALA HA H 1 4.19 . . 1 . . . . . . . . 5624 1 1064 . 1 1 103 103 ALA HB1 H 1 1.47 . . 1 . . . . . . . . 5624 1 1065 . 1 1 103 103 ALA HB2 H 1 1.47 . . 1 . . . . . . . . 5624 1 1066 . 1 1 103 103 ALA HB3 H 1 1.47 . . 1 . . . . . . . . 5624 1 1067 . 1 1 103 103 ALA C C 13 179.0 . . 1 . . . . . . . . 5624 1 1068 . 1 1 103 103 ALA CA C 13 54.2 . . 1 . . . . . . . . 5624 1 1069 . 1 1 103 103 ALA CB C 13 18.4 . . 1 . . . . . . . . 5624 1 1070 . 1 1 103 103 ALA N N 15 122.0 . . 1 . . . . . . . . 5624 1 1071 . 1 1 104 104 GLU H H 1 7.75 . . 1 . . . . . . . . 5624 1 1072 . 1 1 104 104 GLU HA H 1 4.18 . . 1 . . . . . . . . 5624 1 1073 . 1 1 104 104 GLU CA C 13 58.3 . . 1 . . . . . . . . 5624 1 1074 . 1 1 104 104 GLU CB C 13 32.8 . . 1 . . . . . . . . 5624 1 1075 . 1 1 104 104 GLU N N 15 119.1 . . 1 . . . . . . . . 5624 1 1076 . 1 1 119 119 ALA HA H 1 4.20 . . 1 . . . . . . . . 5624 1 1077 . 1 1 119 119 ALA HB1 H 1 1.50 . . 1 . . . . . . . . 5624 1 1078 . 1 1 119 119 ALA HB2 H 1 1.50 . . 1 . . . . . . . . 5624 1 1079 . 1 1 119 119 ALA HB3 H 1 1.50 . . 1 . . . . . . . . 5624 1 1080 . 1 1 119 119 ALA C C 13 180.2 . . 1 . . . . . . . . 5624 1 1081 . 1 1 119 119 ALA CA C 13 55.1 . . 1 . . . . . . . . 5624 1 1082 . 1 1 119 119 ALA CB C 13 17.9 . . 1 . . . . . . . . 5624 1 1083 . 1 1 120 120 GLU H H 1 8.15 . . 1 . . . . . . . . 5624 1 1084 . 1 1 120 120 GLU HA H 1 4.05 . . 1 . . . . . . . . 5624 1 1085 . 1 1 120 120 GLU C C 13 178.7 . . 1 . . . . . . . . 5624 1 1086 . 1 1 120 120 GLU CA C 13 59.2 . . 1 . . . . . . . . 5624 1 1087 . 1 1 120 120 GLU CB C 13 24.8 . . 1 . . . . . . . . 5624 1 1088 . 1 1 120 120 GLU N N 15 120.4 . . 1 . . . . . . . . 5624 1 1089 . 1 1 121 121 GLU H H 1 8.32 . . 1 . . . . . . . . 5624 1 1090 . 1 1 121 121 GLU HA H 1 4.07 . . 1 . . . . . . . . 5624 1 1091 . 1 1 121 121 GLU HB2 H 1 2.07 . . 1 . . . . . . . . 5624 1 1092 . 1 1 121 121 GLU HB3 H 1 2.07 . . 1 . . . . . . . . 5624 1 1093 . 1 1 121 121 GLU HG2 H 1 2.27 . . 1 . . . . . . . . 5624 1 1094 . 1 1 121 121 GLU HG3 H 1 2.27 . . 1 . . . . . . . . 5624 1 1095 . 1 1 121 121 GLU C C 13 178.8 . . 1 . . . . . . . . 5624 1 1096 . 1 1 121 121 GLU CA C 13 59.3 . . 1 . . . . . . . . 5624 1 1097 . 1 1 121 121 GLU CB C 13 29.4 . . 1 . . . . . . . . 5624 1 1098 . 1 1 121 121 GLU N N 15 120.0 . . 1 . . . . . . . . 5624 1 1099 . 1 1 122 122 SER H H 1 8.36 . . 1 . . . . . . . . 5624 1 1100 . 1 1 122 122 SER HA H 1 4.17 . . 1 . . . . . . . . 5624 1 1101 . 1 1 122 122 SER HB2 H 1 4.00 . . 1 . . . . . . . . 5624 1 1102 . 1 1 122 122 SER HB3 H 1 4.00 . . 1 . . . . . . . . 5624 1 1103 . 1 1 122 122 SER C C 13 176.0 . . 1 . . . . . . . . 5624 1 1104 . 1 1 122 122 SER CA C 13 61.7 . . 1 . . . . . . . . 5624 1 1105 . 1 1 122 122 SER CB C 13 62.7 . . 1 . . . . . . . . 5624 1 1106 . 1 1 122 122 SER N N 15 115.9 . . 1 . . . . . . . . 5624 1 1107 . 1 1 123 123 ALA H H 1 7.94 . . 1 . . . . . . . . 5624 1 1108 . 1 1 123 123 ALA HA H 1 4.20 . . 1 . . . . . . . . 5624 1 1109 . 1 1 123 123 ALA HB1 H 1 1.50 . . 1 . . . . . . . . 5624 1 1110 . 1 1 123 123 ALA HB2 H 1 1.50 . . 1 . . . . . . . . 5624 1 1111 . 1 1 123 123 ALA HB3 H 1 1.50 . . 1 . . . . . . . . 5624 1 1112 . 1 1 123 123 ALA C C 13 180.0 . . 1 . . . . . . . . 5624 1 1113 . 1 1 123 123 ALA CA C 13 55.0 . . 1 . . . . . . . . 5624 1 1114 . 1 1 123 123 ALA CB C 13 18.2 . . 1 . . . . . . . . 5624 1 1115 . 1 1 123 123 ALA N N 15 124.2 . . 1 . . . . . . . . 5624 1 1116 . 1 1 124 124 LYS H H 1 7.77 . . 1 . . . . . . . . 5624 1 1117 . 1 1 124 124 LYS HA H 1 4.11 . . 1 . . . . . . . . 5624 1 1118 . 1 1 124 124 LYS HB2 H 1 1.87 . . 1 . . . . . . . . 5624 1 1119 . 1 1 124 124 LYS HB3 H 1 1.87 . . 1 . . . . . . . . 5624 1 1120 . 1 1 124 124 LYS HG2 H 1 1.38 . . 1 . . . . . . . . 5624 1 1121 . 1 1 124 124 LYS HG3 H 1 1.38 . . 1 . . . . . . . . 5624 1 1122 . 1 1 124 124 LYS HD2 H 1 1.59 . . 1 . . . . . . . . 5624 1 1123 . 1 1 124 124 LYS HD3 H 1 1.59 . . 1 . . . . . . . . 5624 1 1124 . 1 1 124 124 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 5624 1 1125 . 1 1 124 124 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 5624 1 1126 . 1 1 124 124 LYS C C 13 178.5 . . 1 . . . . . . . . 5624 1 1127 . 1 1 124 124 LYS CA C 13 59.1 . . 1 . . . . . . . . 5624 1 1128 . 1 1 124 124 LYS CB C 13 32.8 . . 1 . . . . . . . . 5624 1 1129 . 1 1 124 124 LYS N N 15 119.2 . . 1 . . . . . . . . 5624 1 1130 . 1 1 147 147 ALA H H 1 7.87 . . 1 . . . . . . . . 5624 1 1131 . 1 1 147 147 ALA HA H 1 4.21 . . 1 . . . . . . . . 5624 1 1132 . 1 1 147 147 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 5624 1 1133 . 1 1 147 147 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 5624 1 1134 . 1 1 147 147 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 5624 1 1135 . 1 1 147 147 ALA C C 13 177.8 . . 1 . . . . . . . . 5624 1 1136 . 1 1 147 147 ALA CA C 13 53.1 . . 1 . . . . . . . . 5624 1 1137 . 1 1 147 147 ALA CB C 13 19.1 . . 1 . . . . . . . . 5624 1 1138 . 1 1 147 147 ALA N N 15 121.8 . . 1 . . . . . . . . 5624 1 1139 . 1 1 148 148 LYS H H 1 7.99 . . 1 . . . . . . . . 5624 1 1140 . 1 1 148 148 LYS HA H 1 4.17 . . 1 . . . . . . . . 5624 1 1141 . 1 1 148 148 LYS HB2 H 1 1.39 . . 1 . . . . . . . . 5624 1 1142 . 1 1 148 148 LYS HB3 H 1 1.39 . . 1 . . . . . . . . 5624 1 1143 . 1 1 148 148 LYS HG2 H 1 1.78 . . 4 . . . . . . . . 5624 1 1144 . 1 1 148 148 LYS HG3 H 1 1.78 . . 4 . . . . . . . . 5624 1 1145 . 1 1 148 148 LYS HD2 H 1 2.61 . . 4 . . . . . . . . 5624 1 1146 . 1 1 148 148 LYS HD3 H 1 2.61 . . 4 . . . . . . . . 5624 1 1147 . 1 1 148 148 LYS HE2 H 1 3.20 . . 4 . . . . . . . . 5624 1 1148 . 1 1 148 148 LYS HE3 H 1 3.20 . . 4 . . . . . . . . 5624 1 1149 . 1 1 148 148 LYS C C 13 176.1 . . 1 . . . . . . . . 5624 1 1150 . 1 1 148 148 LYS CA C 13 56.8 . . 1 . . . . . . . . 5624 1 1151 . 1 1 148 148 LYS CB C 13 30.2 . . 1 . . . . . . . . 5624 1 1152 . 1 1 148 148 LYS N N 15 118.6 . . 1 . . . . . . . . 5624 1 1153 . 1 1 149 149 ARG H H 1 7.93 . . 1 . . . . . . . . 5624 1 1154 . 1 1 149 149 ARG HA H 1 4.15 . . 1 . . . . . . . . 5624 1 1155 . 1 1 149 149 ARG HB2 H 1 1.86 . . 1 . . . . . . . . 5624 1 1156 . 1 1 149 149 ARG HB3 H 1 1.86 . . 1 . . . . . . . . 5624 1 1157 . 1 1 149 149 ARG HG2 H 1 1.58 . . 1 . . . . . . . . 5624 1 1158 . 1 1 149 149 ARG HG3 H 1 1.58 . . 1 . . . . . . . . 5624 1 1159 . 1 1 149 149 ARG HD2 H 1 3.20 . . 1 . . . . . . . . 5624 1 1160 . 1 1 149 149 ARG HD3 H 1 3.20 . . 1 . . . . . . . . 5624 1 1161 . 1 1 149 149 ARG C C 13 177.2 . . 1 . . . . . . . . 5624 1 1162 . 1 1 149 149 ARG CA C 13 58.1 . . 1 . . . . . . . . 5624 1 1163 . 1 1 149 149 ARG CB C 13 30.4 . . 1 . . . . . . . . 5624 1 1164 . 1 1 149 149 ARG N N 15 121.0 . . 1 . . . . . . . . 5624 1 1165 . 1 1 150 150 GLU H H 1 8.21 . . 1 . . . . . . . . 5624 1 1166 . 1 1 150 150 GLU HA H 1 4.11 . . 1 . . . . . . . . 5624 1 1167 . 1 1 150 150 GLU HB2 H 1 1.99 . . 1 . . . . . . . . 5624 1 1168 . 1 1 150 150 GLU HB3 H 1 1.99 . . 1 . . . . . . . . 5624 1 1169 . 1 1 150 150 GLU HG2 H 1 2.21 . . 2 . . . . . . . . 5624 1 1170 . 1 1 150 150 GLU HG3 H 1 2.37 . . 2 . . . . . . . . 5624 1 1171 . 1 1 150 150 GLU C C 13 176.8 . . 1 . . . . . . . . 5624 1 1172 . 1 1 150 150 GLU CA C 13 57.8 . . 1 . . . . . . . . 5624 1 1173 . 1 1 150 150 GLU CB C 13 30.0 . . 1 . . . . . . . . 5624 1 1174 . 1 1 150 150 GLU N N 15 120.1 . . 1 . . . . . . . . 5624 1 1175 . 1 1 151 151 ALA H H 1 7.90 . . 1 . . . . . . . . 5624 1 1176 . 1 1 151 151 ALA HA H 1 4.19 . . 1 . . . . . . . . 5624 1 1177 . 1 1 151 151 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 5624 1 1178 . 1 1 151 151 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 5624 1 1179 . 1 1 151 151 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 5624 1 1180 . 1 1 151 151 ALA C C 13 177.8 . . 1 . . . . . . . . 5624 1 1181 . 1 1 151 151 ALA CA C 13 53.5 . . 1 . . . . . . . . 5624 1 1182 . 1 1 151 151 ALA CB C 13 19.0 . . 1 . . . . . . . . 5624 1 1183 . 1 1 151 151 ALA N N 15 122.7 . . 1 . . . . . . . . 5624 1 1184 . 1 1 152 152 ALA H H 1 7.86 . . 1 . . . . . . . . 5624 1 1185 . 1 1 152 152 ALA HA H 1 4.23 . . 1 . . . . . . . . 5624 1 1186 . 1 1 152 152 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 5624 1 1187 . 1 1 152 152 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 5624 1 1188 . 1 1 152 152 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 5624 1 1189 . 1 1 152 152 ALA C C 13 177.8 . . 1 . . . . . . . . 5624 1 1190 . 1 1 152 152 ALA CA C 13 53.2 . . 1 . . . . . . . . 5624 1 1191 . 1 1 152 152 ALA CB C 13 19.1 . . 1 . . . . . . . . 5624 1 1192 . 1 1 152 152 ALA N N 15 121.4 . . 1 . . . . . . . . 5624 1 1193 . 1 1 153 153 GLU H H 1 8.01 . . 1 . . . . . . . . 5624 1 1194 . 1 1 153 153 GLU HA H 1 4.19 . . 1 . . . . . . . . 5624 1 1195 . 1 1 153 153 GLU HB2 H 1 1.96 . . 1 . . . . . . . . 5624 1 1196 . 1 1 153 153 GLU HB3 H 1 1.96 . . 1 . . . . . . . . 5624 1 1197 . 1 1 153 153 GLU HG2 H 1 2.28 . . 1 . . . . . . . . 5624 1 1198 . 1 1 153 153 GLU HG3 H 1 2.28 . . 1 . . . . . . . . 5624 1 1199 . 1 1 153 153 GLU C C 13 176.2 . . 1 . . . . . . . . 5624 1 1200 . 1 1 153 153 GLU CA C 13 56.9 . . 1 . . . . . . . . 5624 1 1201 . 1 1 153 153 GLU CB C 13 30.3 . . 1 . . . . . . . . 5624 1 1202 . 1 1 153 153 GLU N N 15 118.7 . . 1 . . . . . . . . 5624 1 1203 . 1 1 154 154 LYS H H 1 7.93 . . 1 . . . . . . . . 5624 1 1204 . 1 1 154 154 LYS HA H 1 4.26 . . 1 . . . . . . . . 5624 1 1205 . 1 1 154 154 LYS HB2 H 1 1.80 . . 1 . . . . . . . . 5624 1 1206 . 1 1 154 154 LYS HB3 H 1 1.80 . . 1 . . . . . . . . 5624 1 1207 . 1 1 154 154 LYS HG2 H 1 1.38 . . 1 . . . . . . . . 5624 1 1208 . 1 1 154 154 LYS HG3 H 1 1.38 . . 1 . . . . . . . . 5624 1 1209 . 1 1 154 154 LYS HD2 H 1 1.65 . . 1 . . . . . . . . 5624 1 1210 . 1 1 154 154 LYS HD3 H 1 1.65 . . 1 . . . . . . . . 5624 1 1211 . 1 1 154 154 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 5624 1 1212 . 1 1 154 154 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 5624 1 1213 . 1 1 154 154 LYS C C 13 175.7 . . 1 . . . . . . . . 5624 1 1214 . 1 1 154 154 LYS CA C 13 56.7 . . 1 . . . . . . . . 5624 1 1215 . 1 1 154 154 LYS CB C 13 33.3 . . 1 . . . . . . . . 5624 1 1216 . 1 1 154 154 LYS N N 15 120.4 . . 1 . . . . . . . . 5624 1 1217 . 1 1 155 155 ASP H H 1 8.18 . . 1 . . . . . . . . 5624 1 1218 . 1 1 155 155 ASP HA H 1 4.56 . . 1 . . . . . . . . 5624 1 1219 . 1 1 155 155 ASP HB2 H 1 2.38 . . 2 . . . . . . . . 5624 1 1220 . 1 1 155 155 ASP HB3 H 1 2.72 . . 2 . . . . . . . . 5624 1 1221 . 1 1 155 155 ASP C C 13 174.4 . . 1 . . . . . . . . 5624 1 1222 . 1 1 155 155 ASP CA C 13 54.5 . . 1 . . . . . . . . 5624 1 1223 . 1 1 155 155 ASP CB C 13 41.3 . . 1 . . . . . . . . 5624 1 1224 . 1 1 155 155 ASP N N 15 121.0 . . 1 . . . . . . . . 5624 1 1225 . 1 1 156 156 LYS H H 1 7.64 . . 1 . . . . . . . . 5624 1 1226 . 1 1 156 156 LYS HA H 1 4.09 . . 1 . . . . . . . . 5624 1 1227 . 1 1 156 156 LYS HB2 H 1 1.68 . . 2 . . . . . . . . 5624 1 1228 . 1 1 156 156 LYS HB3 H 1 1.78 . . 2 . . . . . . . . 5624 1 1229 . 1 1 156 156 LYS HG2 H 1 1.34 . . 1 . . . . . . . . 5624 1 1230 . 1 1 156 156 LYS HG3 H 1 1.34 . . 1 . . . . . . . . 5624 1 1231 . 1 1 156 156 LYS HE2 H 1 2.94 . . 1 . . . . . . . . 5624 1 1232 . 1 1 156 156 LYS HE3 H 1 2.94 . . 1 . . . . . . . . 5624 1 1233 . 1 1 156 156 LYS CA C 13 57.8 . . 1 . . . . . . . . 5624 1 1234 . 1 1 156 156 LYS CB C 13 33.8 . . 1 . . . . . . . . 5624 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 56 5624 1 1 55 5624 1 2 58 5624 1 2 57 5624 1 3 580 5624 1 3 579 5624 1 4 582 5624 1 4 581 5624 1 5 636 5624 1 5 635 5624 1 6 638 5624 1 6 637 5624 1 7 809 5624 1 7 808 5624 1 8 811 5624 1 8 810 5624 1 9 834 5624 1 9 833 5624 1 9 832 5624 1 9 831 5624 1 9 830 5624 1 9 829 5624 1 10 839 5624 1 10 838 5624 1 11 942 5624 1 11 941 5624 1 11 940 5624 1 11 939 5624 1 11 938 5624 1 11 937 5624 1 12 952 5624 1 12 951 5624 1 13 954 5624 1 13 953 5624 1 14 1048 5624 1 14 1047 5624 1 14 1046 5624 1 14 1045 5624 1 14 1044 5624 1 14 1043 5624 1 15 1144 5624 1 15 1143 5624 1 16 1146 5624 1 16 1145 5624 1 17 1148 5624 1 17 1147 5624 1 stop_ save_