data_4394 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4394 _Entry.Title ; Translation initiation factor IF3 from Escherichia coli Ribosome binding domain (residues 84-180) ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-09-09 _Entry.Accession_date 1999-09-09 _Entry.Last_release_date 1999-11-29 _Entry.Original_release_date 1999-11-29 _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 E. 'DE COCK' . . . 4394 2 C. GARCIA . . . 4394 3 F. DARDEL . . . 4394 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4394 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 256 4394 '15N chemical shifts' 92 4394 '1H chemical shifts' 637 4394 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 . . 1999-11-29 1999-09-09 original author . 4394 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4394 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; DE COCK, E., BLANQUET, S., LALLEMAND, J. -Y., and DARDEL, F., "INTERACTION OF E. COLI TRANSLATION INITIATION FACTOR IF3 WITH THE RIBOSOME," in preparation. ; _Citation.Title 'INTERACTION OF E. COLI TRANSLATION INITIATION FACTOR IF3 WITH THE RIBOSOME' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 E. 'DE COCK' . . . 4394 1 2 S. BLANQUET . . . 4394 1 3 J. LALLEMAND . -Y. . 4394 1 4 F. DARDEL . . . 4394 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'INITIATION FACTOR' 4394 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4394 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 7490747 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 4394 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 9054966 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_IF3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_IF3 _Assembly.Entry_ID 4394 _Assembly.ID 1 _Assembly.Name 'TRANSLATION INITIATION FACTOR IF3' _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 4394 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 'IF3 ribosome binding domain' 1 $IF3 . . . native . . . . . 4394 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 2IFEA . 'Chain A, Translation Initiation Factor If3 From Escherichia Coli Ribosome Binding Domain (Residues 84-180)' . . . . 4394 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID IF3 abbreviation 4394 1 'TRANSLATION INITIATION FACTOR IF3' system 4394 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; -bacterial translation initiation factor -promotes dissociation of ribosomal subunits -destabilizes non-cognate initiation ternary complexes (tRNA/mRNA/30S) ; 4394 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IF3 _Entity.Sf_category entity _Entity.Sf_framecode IF3 _Entity.Entry_ID 4394 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TRANSLATION INITIATION FACTOR IF3' _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 ; MEFQKKKQKVIQVKEIKFRP GTDEGDYQVKLRSLIRFLEE GDKAKITLRFRGREMAHQQI GMEVLNRVKDDLQELAVVES FPTKIEGRQMIMVLAPKKKQ ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2IFE . "Translation Initiation Factor If3 From Escherichia Coli Ribosome Binding Domain (Residues 84-180)" . . . . . 100.00 100 100.00 100.00 6.90e-63 . . . . 4394 1 2 no DBJ BAA15485 . "protein chain initiation factor IF-3 [Escherichia coli str. K12 substr. W3110]" . . . . . 97.00 180 100.00 100.00 9.73e-60 . . . . 4394 1 3 no DBJ BAB35848 . "protein chain initiation factor IF-3 [Escherichia coli O157:H7 str. Sakai]" . . . . . 97.00 180 100.00 100.00 9.73e-60 . . . . 4394 1 4 no DBJ BAG66478 . "protein chain initiation factor IF-3 [Escherichia coli O111:H-]" . . . . . 97.00 144 100.00 100.00 2.35e-60 . . . . 4394 1 5 no DBJ BAG77410 . "translation initiation factor IF-3 [Escherichia coli SE11]" . . . . . 97.00 144 100.00 100.00 2.35e-60 . . . . 4394 1 6 no DBJ BAH63902 . "conserved hypothetical protein [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 97.00 144 97.94 98.97 1.26e-58 . . . . 4394 1 7 no EMBL CAA23561 . "unnamed protein product [Escherichia coli]" . . . . . 97.00 180 100.00 100.00 9.73e-60 . . . . 4394 1 8 no EMBL CAD02019 . "translation initiation factor IF-3 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 97.00 180 98.97 100.00 2.30e-59 . . . . 4394 1 9 no EMBL CAP76214 . "Translation initiation factor IF-3 [Escherichia coli LF82]" . . . . . 97.00 144 100.00 100.00 2.35e-60 . . . . 4394 1 10 no EMBL CAQ32193 . "protein chain initiation factor IF-3 [Escherichia coli BL21(DE3)]" . . . . . 97.00 180 100.00 100.00 9.73e-60 . . . . 4394 1 11 no EMBL CAR33292 . "translation initiation factor IF-3 [Salmonella enterica subsp. enterica serovar Enteritidis str. P125109]" . . . . . 97.00 144 100.00 100.00 2.35e-60 . . . . 4394 1 12 no GB AAA51467 . "initiation factor 3 [Escherichia coli]" . . . . . 97.00 180 98.97 98.97 1.03e-58 . . . . 4394 1 13 no GB AAC36811 . "translation initiation factor IF3 [Klebsiella pneumoniae]" . . . . . 97.00 180 96.91 98.97 1.35e-57 . . . . 4394 1 14 no GB AAC36814 . "translation intitiation factor IF3 [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 97.00 180 100.00 100.00 6.30e-60 . . . . 4394 1 15 no GB AAC74788 . "translation initiation factor IF-3 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 97.00 180 100.00 100.00 9.73e-60 . . . . 4394 1 16 no GB AAG56705 . "Initiation factor IF-3 [Escherichia coli O157:H7 str. EDL933]" . . . . . 97.00 144 100.00 100.00 2.35e-60 . . . . 4394 1 17 no PIR AB0706 . "translation initiation factor IF-3 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 97.00 180 98.97 100.00 2.30e-59 . . . . 4394 1 18 no PIR E85780 . "Initiation factor IF-3 [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 97.00 144 100.00 100.00 2.35e-60 . . . . 4394 1 19 no REF NP_310452 . "translation initiation factor IF-3 [Escherichia coli O157:H7 str. Sakai]" . . . . . 97.00 180 100.00 100.00 9.73e-60 . . . . 4394 1 20 no REF NP_416233 . "translation initiation factor IF-3 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 97.00 180 100.00 100.00 9.73e-60 . . . . 4394 1 21 no REF NP_456178 . "translation initiation factor IF-3 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 97.00 180 98.97 100.00 2.30e-59 . . . . 4394 1 22 no REF NP_460300 . "translation initiation factor IF-3 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 97.00 180 100.00 100.00 6.30e-60 . . . . 4394 1 23 no REF NP_707396 . "translation initiation factor IF-3 [Shigella flexneri 2a str. 301]" . . . . . 97.00 144 98.97 98.97 1.65e-59 . . . . 4394 1 24 no SP B1IPL0 . "RecName: Full=Translation initiation factor IF-3" . . . . . 97.00 180 100.00 100.00 9.73e-60 . . . . 4394 1 25 no SP B7USA1 . "RecName: Full=Translation initiation factor IF-3" . . . . . 97.00 180 100.00 100.00 9.73e-60 . . . . 4394 1 26 no SP C4ZYI0 . "RecName: Full=Translation initiation factor IF-3" . . . . . 97.00 180 100.00 100.00 9.73e-60 . . . . 4394 1 27 no SP P0A707 . "RecName: Full=Translation initiation factor IF-3; Contains: RecName: Full=Translation initiation factor IF-3, N-terminally proc" . . . . . 97.00 180 100.00 100.00 9.73e-60 . . . . 4394 1 28 no SP P0A708 . "RecName: Full=Translation initiation factor IF-3" . . . . . 97.00 180 100.00 100.00 9.73e-60 . . . . 4394 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID IF3 abbreviation 4394 1 'TRANSLATION INITIATION FACTOR IF3' common 4394 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 4394 1 2 2 GLU . 4394 1 3 3 PHE . 4394 1 4 84 GLN . 4394 1 5 85 LYS . 4394 1 6 86 LYS . 4394 1 7 87 LYS . 4394 1 8 88 GLN . 4394 1 9 89 LYS . 4394 1 10 90 VAL . 4394 1 11 91 ILE . 4394 1 12 92 GLN . 4394 1 13 93 VAL . 4394 1 14 94 LYS . 4394 1 15 95 GLU . 4394 1 16 96 ILE . 4394 1 17 97 LYS . 4394 1 18 98 PHE . 4394 1 19 99 ARG . 4394 1 20 100 PRO . 4394 1 21 101 GLY . 4394 1 22 102 THR . 4394 1 23 103 ASP . 4394 1 24 104 GLU . 4394 1 25 105 GLY . 4394 1 26 106 ASP . 4394 1 27 107 TYR . 4394 1 28 108 GLN . 4394 1 29 109 VAL . 4394 1 30 110 LYS . 4394 1 31 111 LEU . 4394 1 32 112 ARG . 4394 1 33 113 SER . 4394 1 34 114 LEU . 4394 1 35 115 ILE . 4394 1 36 116 ARG . 4394 1 37 117 PHE . 4394 1 38 118 LEU . 4394 1 39 119 GLU . 4394 1 40 120 GLU . 4394 1 41 121 GLY . 4394 1 42 122 ASP . 4394 1 43 123 LYS . 4394 1 44 124 ALA . 4394 1 45 125 LYS . 4394 1 46 126 ILE . 4394 1 47 126 THR . 4394 1 48 128 LEU . 4394 1 49 129 ARG . 4394 1 50 130 PHE . 4394 1 51 131 ARG . 4394 1 52 132 GLY . 4394 1 53 133 ARG . 4394 1 54 134 GLU . 4394 1 55 135 MET . 4394 1 56 136 ALA . 4394 1 57 137 HIS . 4394 1 58 138 GLN . 4394 1 59 139 GLN . 4394 1 60 140 ILE . 4394 1 61 141 GLY . 4394 1 62 142 MET . 4394 1 63 143 GLU . 4394 1 64 144 VAL . 4394 1 65 145 LEU . 4394 1 66 146 ASN . 4394 1 67 147 ARG . 4394 1 68 148 VAL . 4394 1 69 149 LYS . 4394 1 70 150 ASP . 4394 1 71 151 ASP . 4394 1 72 152 LEU . 4394 1 73 153 GLN . 4394 1 74 154 GLU . 4394 1 75 155 LEU . 4394 1 76 156 ALA . 4394 1 77 157 VAL . 4394 1 78 158 VAL . 4394 1 79 159 GLU . 4394 1 80 160 SER . 4394 1 81 161 PHE . 4394 1 82 162 PRO . 4394 1 83 163 THR . 4394 1 84 164 LYS . 4394 1 85 165 ILE . 4394 1 86 166 GLU . 4394 1 87 167 GLY . 4394 1 88 168 ARG . 4394 1 89 169 GLN . 4394 1 90 170 MET . 4394 1 91 171 ILE . 4394 1 92 172 MET . 4394 1 93 173 VAL . 4394 1 94 174 LEU . 4394 1 95 175 ALA . 4394 1 96 176 PRO . 4394 1 97 177 LYS . 4394 1 98 178 LYS . 4394 1 99 179 LYS . 4394 1 100 180 GLN . 4394 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4394 1 . GLU 2 2 4394 1 . PHE 3 3 4394 1 . GLN 4 4 4394 1 . LYS 5 5 4394 1 . LYS 6 6 4394 1 . LYS 7 7 4394 1 . GLN 8 8 4394 1 . LYS 9 9 4394 1 . VAL 10 10 4394 1 . ILE 11 11 4394 1 . GLN 12 12 4394 1 . VAL 13 13 4394 1 . LYS 14 14 4394 1 . GLU 15 15 4394 1 . ILE 16 16 4394 1 . LYS 17 17 4394 1 . PHE 18 18 4394 1 . ARG 19 19 4394 1 . PRO 20 20 4394 1 . GLY 21 21 4394 1 . THR 22 22 4394 1 . ASP 23 23 4394 1 . GLU 24 24 4394 1 . GLY 25 25 4394 1 . ASP 26 26 4394 1 . TYR 27 27 4394 1 . GLN 28 28 4394 1 . VAL 29 29 4394 1 . LYS 30 30 4394 1 . LEU 31 31 4394 1 . ARG 32 32 4394 1 . SER 33 33 4394 1 . LEU 34 34 4394 1 . ILE 35 35 4394 1 . ARG 36 36 4394 1 . PHE 37 37 4394 1 . LEU 38 38 4394 1 . GLU 39 39 4394 1 . GLU 40 40 4394 1 . GLY 41 41 4394 1 . ASP 42 42 4394 1 . LYS 43 43 4394 1 . ALA 44 44 4394 1 . LYS 45 45 4394 1 . ILE 46 46 4394 1 . THR 47 47 4394 1 . LEU 48 48 4394 1 . ARG 49 49 4394 1 . PHE 50 50 4394 1 . ARG 51 51 4394 1 . GLY 52 52 4394 1 . ARG 53 53 4394 1 . GLU 54 54 4394 1 . MET 55 55 4394 1 . ALA 56 56 4394 1 . HIS 57 57 4394 1 . GLN 58 58 4394 1 . GLN 59 59 4394 1 . ILE 60 60 4394 1 . GLY 61 61 4394 1 . MET 62 62 4394 1 . GLU 63 63 4394 1 . VAL 64 64 4394 1 . LEU 65 65 4394 1 . ASN 66 66 4394 1 . ARG 67 67 4394 1 . VAL 68 68 4394 1 . LYS 69 69 4394 1 . ASP 70 70 4394 1 . ASP 71 71 4394 1 . LEU 72 72 4394 1 . GLN 73 73 4394 1 . GLU 74 74 4394 1 . LEU 75 75 4394 1 . ALA 76 76 4394 1 . VAL 77 77 4394 1 . VAL 78 78 4394 1 . GLU 79 79 4394 1 . SER 80 80 4394 1 . PHE 81 81 4394 1 . PRO 82 82 4394 1 . THR 83 83 4394 1 . LYS 84 84 4394 1 . ILE 85 85 4394 1 . GLU 86 86 4394 1 . GLY 87 87 4394 1 . ARG 88 88 4394 1 . GLN 89 89 4394 1 . MET 90 90 4394 1 . ILE 91 91 4394 1 . MET 92 92 4394 1 . VAL 93 93 4394 1 . LEU 94 94 4394 1 . ALA 95 95 4394 1 . PRO 96 96 4394 1 . LYS 97 97 4394 1 . LYS 98 98 4394 1 . LYS 99 99 4394 1 . GLN 100 100 4394 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 4394 _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 $IF3 . 562 organism . 'ESCHERICHIA COLI' 'E. coli' . . Eubacteria . ESCHERICHIA COLI JM83 . . . . . . . . . . . . . PTRCINFCC . 'INFC CODONS 84-180' . . . . 4394 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 4394 _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 $IF3 . 'recombinant technology' 'ESCHERICHIA COLI' 'ESCHERICHIA COLI' . . ESCHERICHIA COLI JM83 . . . . . . . . . . . . plasmid . . pTRC99a . . . . . . 4394 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4394 _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 INITIATION FACTOR IF3' '[U-98% 13C; U-95% 15N]' . . 1 $IF3 . . 1.5 . . mM . . . . 4394 1 2 'potassium phosphate' . . . . . . . 20 . . mM . . . . 4394 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4394 _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 INITIATION FACTOR IF3' '[U-98% 15N]' . . 1 $IF3 . . 1.5 . . mM . . . . 4394 2 2 'potassium phosphate' . . . . . . . 20 . . mM . . . . 4394 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4394 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 4394 1 pH* 6.5 0.2 n/a 4394 1 pressure 1 . atm 4394 1 temperature 303 0.5 K 4394 1 stop_ save_ ############################ # Computer software used # ############################ save_GIFA _Software.Sf_category software _Software.Sf_framecode GIFA _Software.Entry_ID 4394 _Software.ID 1 _Software.Name GIFA _Software.Version 4.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'NMR data processing and graphic display' 4394 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4394 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4394 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 4394 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 4394 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C-1H HCCH-TOCSY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4394 1 2 '3D HNCA' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4394 1 3 '3D HNHB' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4394 1 4 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4394 1 5 '3D 13C-1H-1H NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4394 1 stop_ 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 4394 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4394 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct . internal . . . . . . . . 4394 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4394 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4394 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_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 $sample_1 . 4394 1 . . 2 $sample_2 . 4394 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 9 9 LYS H H 1 8.56 0.01 . 1 . . . . . . . . 4394 1 2 . 1 1 9 9 LYS HA H 1 4.57 0.01 . 1 . . . . . . . . 4394 1 3 . 1 1 9 9 LYS HB2 H 1 2.07 0.01 . 2 . . . . . . . . 4394 1 4 . 1 1 9 9 LYS HB3 H 1 1.99 0.01 . 2 . . . . . . . . 4394 1 5 . 1 1 9 9 LYS HG2 H 1 1.77 0.01 . 1 . . . . . . . . 4394 1 6 . 1 1 9 9 LYS HG3 H 1 1.77 0.01 . 1 . . . . . . . . 4394 1 7 . 1 1 9 9 LYS HD2 H 1 2.08 0.01 . 2 . . . . . . . . 4394 1 8 . 1 1 9 9 LYS HD3 H 1 2.16 0.01 . 2 . . . . . . . . 4394 1 9 . 1 1 9 9 LYS HE2 H 1 2.52 0.01 . 1 . . . . . . . . 4394 1 10 . 1 1 9 9 LYS HE3 H 1 2.52 0.01 . 1 . . . . . . . . 4394 1 11 . 1 1 9 9 LYS CA C 13 55.90 0.30 . 1 . . . . . . . . 4394 1 12 . 1 1 9 9 LYS CB C 13 32.80 0.30 . 1 . . . . . . . . 4394 1 13 . 1 1 9 9 LYS CG C 13 27.00 0.30 . 1 . . . . . . . . 4394 1 14 . 1 1 9 9 LYS CD C 13 30.40 0.30 . 1 . . . . . . . . 4394 1 15 . 1 1 9 9 LYS N N 15 121.80 0.10 . 1 . . . . . . . . 4394 1 16 . 1 1 10 10 VAL H H 1 8.47 0.01 . 1 . . . . . . . . 4394 1 17 . 1 1 10 10 VAL HA H 1 4.29 0.01 . 1 . . . . . . . . 4394 1 18 . 1 1 10 10 VAL HB H 1 2.14 0.01 . 1 . . . . . . . . 4394 1 19 . 1 1 10 10 VAL HG11 H 1 1.12 0.01 . 2 . . . . . . . . 4394 1 20 . 1 1 10 10 VAL HG12 H 1 1.12 0.01 . 2 . . . . . . . . 4394 1 21 . 1 1 10 10 VAL HG13 H 1 1.12 0.01 . 2 . . . . . . . . 4394 1 22 . 1 1 10 10 VAL HG21 H 1 1.07 0.01 . 2 . . . . . . . . 4394 1 23 . 1 1 10 10 VAL HG22 H 1 1.07 0.01 . 2 . . . . . . . . 4394 1 24 . 1 1 10 10 VAL HG23 H 1 1.07 0.01 . 2 . . . . . . . . 4394 1 25 . 1 1 10 10 VAL CA C 13 61.70 0.30 . 1 . . . . . . . . 4394 1 26 . 1 1 10 10 VAL CB C 13 32.50 0.30 . 1 . . . . . . . . 4394 1 27 . 1 1 10 10 VAL CG1 C 13 20.80 0.30 . 1 . . . . . . . . 4394 1 28 . 1 1 10 10 VAL CG2 C 13 20.80 0.30 . 1 . . . . . . . . 4394 1 29 . 1 1 10 10 VAL N N 15 121.80 0.10 . 1 . . . . . . . . 4394 1 30 . 1 1 11 11 ILE H H 1 8.50 0.01 . 1 . . . . . . . . 4394 1 31 . 1 1 11 11 ILE HA H 1 4.30 0.01 . 1 . . . . . . . . 4394 1 32 . 1 1 11 11 ILE HB H 1 2.02 0.01 . 1 . . . . . . . . 4394 1 33 . 1 1 11 11 ILE HG12 H 1 1.79 0.01 . 2 . . . . . . . . 4394 1 34 . 1 1 11 11 ILE HG13 H 1 1.45 0.01 . 2 . . . . . . . . 4394 1 35 . 1 1 11 11 ILE HG21 H 1 1.16 0.01 . 1 . . . . . . . . 4394 1 36 . 1 1 11 11 ILE HG22 H 1 1.16 0.01 . 1 . . . . . . . . 4394 1 37 . 1 1 11 11 ILE HG23 H 1 1.16 0.01 . 1 . . . . . . . . 4394 1 38 . 1 1 11 11 ILE HD11 H 1 1.06 0.01 . 1 . . . . . . . . 4394 1 39 . 1 1 11 11 ILE HD12 H 1 1.06 0.01 . 1 . . . . . . . . 4394 1 40 . 1 1 11 11 ILE HD13 H 1 1.06 0.01 . 1 . . . . . . . . 4394 1 41 . 1 1 11 11 ILE CA C 13 61.00 0.30 . 1 . . . . . . . . 4394 1 42 . 1 1 11 11 ILE CB C 13 41.80 0.30 . 1 . . . . . . . . 4394 1 43 . 1 1 11 11 ILE CG1 C 13 27.70 0.30 . 1 . . . . . . . . 4394 1 44 . 1 1 11 11 ILE CG2 C 13 17.00 0.30 . 1 . . . . . . . . 4394 1 45 . 1 1 11 11 ILE CD1 C 13 12.90 0.30 . 1 . . . . . . . . 4394 1 46 . 1 1 11 11 ILE N N 15 125.10 0.10 . 1 . . . . . . . . 4394 1 47 . 1 1 12 12 GLN H H 1 8.92 0.01 . 1 . . . . . . . . 4394 1 48 . 1 1 12 12 GLN HA H 1 4.60 0.01 . 1 . . . . . . . . 4394 1 49 . 1 1 12 12 GLN HB2 H 1 1.96 0.01 . 1 . . . . . . . . 4394 1 50 . 1 1 12 12 GLN HB3 H 1 2.12 0.01 . 1 . . . . . . . . 4394 1 51 . 1 1 12 12 GLN HG2 H 1 2.45 0.01 . 2 . . . . . . . . 4394 1 52 . 1 1 12 12 GLN HG3 H 1 2.41 0.01 . 2 . . . . . . . . 4394 1 53 . 1 1 12 12 GLN HE21 H 1 7.05 0.01 . 2 . . . . . . . . 4394 1 54 . 1 1 12 12 GLN HE22 H 1 7.76 0.01 . 2 . . . . . . . . 4394 1 55 . 1 1 12 12 GLN CA C 13 54.40 0.30 . 1 . . . . . . . . 4394 1 56 . 1 1 12 12 GLN CB C 13 30.80 0.30 . 1 . . . . . . . . 4394 1 57 . 1 1 12 12 GLN CG C 13 33.90 0.30 . 1 . . . . . . . . 4394 1 58 . 1 1 12 12 GLN N N 15 124.50 0.10 . 1 . . . . . . . . 4394 1 59 . 1 1 12 12 GLN NE2 N 15 110.60 0.10 . 1 . . . . . . . . 4394 1 60 . 1 1 13 13 VAL H H 1 8.39 0.01 . 1 . . . . . . . . 4394 1 61 . 1 1 13 13 VAL HA H 1 4.34 0.01 . 1 . . . . . . . . 4394 1 62 . 1 1 13 13 VAL HB H 1 2.04 0.01 . 1 . . . . . . . . 4394 1 63 . 1 1 13 13 VAL HG11 H 1 1.02 0.01 . 1 . . . . . . . . 4394 1 64 . 1 1 13 13 VAL HG12 H 1 1.02 0.01 . 1 . . . . . . . . 4394 1 65 . 1 1 13 13 VAL HG13 H 1 1.02 0.01 . 1 . . . . . . . . 4394 1 66 . 1 1 13 13 VAL HG21 H 1 0.90 0.01 . 1 . . . . . . . . 4394 1 67 . 1 1 13 13 VAL HG22 H 1 0.90 0.01 . 1 . . . . . . . . 4394 1 68 . 1 1 13 13 VAL HG23 H 1 0.90 0.01 . 1 . . . . . . . . 4394 1 69 . 1 1 13 13 VAL CA C 13 61.00 0.30 . 1 . . . . . . . . 4394 1 70 . 1 1 13 13 VAL CB C 13 31.80 0.30 . 1 . . . . . . . . 4394 1 71 . 1 1 13 13 VAL CG1 C 13 20.50 0.30 . 1 . . . . . . . . 4394 1 72 . 1 1 13 13 VAL CG2 C 13 21.80 0.30 . 1 . . . . . . . . 4394 1 73 . 1 1 13 13 VAL N N 15 118.70 0.10 . 1 . . . . . . . . 4394 1 74 . 1 1 14 14 LYS H H 1 8.56 0.01 . 1 . . . . . . . . 4394 1 75 . 1 1 14 14 LYS HA H 1 4.42 0.01 . 1 . . . . . . . . 4394 1 76 . 1 1 14 14 LYS HB2 H 1 1.20 0.01 . 1 . . . . . . . . 4394 1 77 . 1 1 14 14 LYS HB3 H 1 0.80 0.01 . 1 . . . . . . . . 4394 1 78 . 1 1 14 14 LYS HG2 H 1 0.94 0.01 . 1 . . . . . . . . 4394 1 79 . 1 1 14 14 LYS HG3 H 1 0.94 0.01 . 1 . . . . . . . . 4394 1 80 . 1 1 14 14 LYS HD2 H 1 1.29 0.01 . 2 . . . . . . . . 4394 1 81 . 1 1 14 14 LYS HD3 H 1 1.08 0.01 . 2 . . . . . . . . 4394 1 82 . 1 1 14 14 LYS HE2 H 1 2.75 0.01 . 1 . . . . . . . . 4394 1 83 . 1 1 14 14 LYS HE3 H 1 2.75 0.01 . 1 . . . . . . . . 4394 1 84 . 1 1 14 14 LYS CA C 13 53.80 0.30 . 1 . . . . . . . . 4394 1 85 . 1 1 14 14 LYS CB C 13 32.80 0.30 . 1 . . . . . . . . 4394 1 86 . 1 1 14 14 LYS CG C 13 23.90 0.30 . 1 . . . . . . . . 4394 1 87 . 1 1 14 14 LYS CD C 13 27.30 0.30 . 1 . . . . . . . . 4394 1 88 . 1 1 14 14 LYS CE C 13 41.40 0.30 . 1 . . . . . . . . 4394 1 89 . 1 1 14 14 LYS N N 15 126.10 0.10 . 1 . . . . . . . . 4394 1 90 . 1 1 15 15 GLU H H 1 8.47 0.01 . 1 . . . . . . . . 4394 1 91 . 1 1 15 15 GLU HA H 1 5.66 0.01 . 1 . . . . . . . . 4394 1 92 . 1 1 15 15 GLU HB2 H 1 1.98 0.01 . 1 . . . . . . . . 4394 1 93 . 1 1 15 15 GLU HB3 H 1 2.15 0.01 . 1 . . . . . . . . 4394 1 94 . 1 1 15 15 GLU HG2 H 1 2.35 0.01 . 1 . . . . . . . . 4394 1 95 . 1 1 15 15 GLU HG3 H 1 2.35 0.01 . 1 . . . . . . . . 4394 1 96 . 1 1 15 15 GLU CA C 13 54.80 0.30 . 1 . . . . . . . . 4394 1 97 . 1 1 15 15 GLU CB C 13 32.80 0.30 . 1 . . . . . . . . 4394 1 98 . 1 1 15 15 GLU CG C 13 36.60 0.30 . 1 . . . . . . . . 4394 1 99 . 1 1 15 15 GLU N N 15 119.30 0.10 . 1 . . . . . . . . 4394 1 100 . 1 1 16 16 ILE H H 1 8.87 0.01 . 1 . . . . . . . . 4394 1 101 . 1 1 16 16 ILE HA H 1 4.63 0.01 . 1 . . . . . . . . 4394 1 102 . 1 1 16 16 ILE HB H 1 2.00 0.01 . 1 . . . . . . . . 4394 1 103 . 1 1 16 16 ILE HG12 H 1 1.67 0.01 . 2 . . . . . . . . 4394 1 104 . 1 1 16 16 ILE HG13 H 1 1.49 0.01 . 2 . . . . . . . . 4394 1 105 . 1 1 16 16 ILE HG21 H 1 0.97 0.01 . 1 . . . . . . . . 4394 1 106 . 1 1 16 16 ILE HG22 H 1 0.97 0.01 . 1 . . . . . . . . 4394 1 107 . 1 1 16 16 ILE HG23 H 1 0.97 0.01 . 1 . . . . . . . . 4394 1 108 . 1 1 16 16 ILE HD11 H 1 1.05 0.01 . 1 . . . . . . . . 4394 1 109 . 1 1 16 16 ILE HD12 H 1 1.05 0.01 . 1 . . . . . . . . 4394 1 110 . 1 1 16 16 ILE HD13 H 1 1.05 0.01 . 1 . . . . . . . . 4394 1 111 . 1 1 16 16 ILE CA C 13 59.00 0.30 . 1 . . . . . . . . 4394 1 112 . 1 1 16 16 ILE CB C 13 41.10 0.30 . 1 . . . . . . . . 4394 1 113 . 1 1 16 16 ILE CG1 C 13 27.30 0.30 . 1 . . . . . . . . 4394 1 114 . 1 1 16 16 ILE CG2 C 13 17.70 0.30 . 1 . . . . . . . . 4394 1 115 . 1 1 16 16 ILE CD1 C 13 12.90 0.30 . 1 . . . . . . . . 4394 1 116 . 1 1 16 16 ILE N N 15 122.20 0.10 . 1 . . . . . . . . 4394 1 117 . 1 1 17 17 LYS H H 1 8.61 0.01 . 1 . . . . . . . . 4394 1 118 . 1 1 17 17 LYS HA H 1 5.57 0.01 . 1 . . . . . . . . 4394 1 119 . 1 1 17 17 LYS HB2 H 1 1.86 0.01 . 2 . . . . . . . . 4394 1 120 . 1 1 17 17 LYS HB3 H 1 1.81 0.01 . 2 . . . . . . . . 4394 1 121 . 1 1 17 17 LYS HG2 H 1 1.48 0.01 . 1 . . . . . . . . 4394 1 122 . 1 1 17 17 LYS HG3 H 1 1.48 0.01 . 1 . . . . . . . . 4394 1 123 . 1 1 17 17 LYS HD2 H 1 1.58 0.01 . 1 . . . . . . . . 4394 1 124 . 1 1 17 17 LYS HD3 H 1 1.58 0.01 . 1 . . . . . . . . 4394 1 125 . 1 1 17 17 LYS HE2 H 1 3.06 0.01 . 1 . . . . . . . . 4394 1 126 . 1 1 17 17 LYS HE3 H 1 3.06 0.01 . 1 . . . . . . . . 4394 1 127 . 1 1 17 17 LYS CA C 13 54.50 0.30 . 1 . . . . . . . . 4394 1 128 . 1 1 17 17 LYS CB C 13 34.20 0.30 . 1 . . . . . . . . 4394 1 129 . 1 1 17 17 LYS CG C 13 24.90 0.30 . 1 . . . . . . . . 4394 1 130 . 1 1 17 17 LYS CD C 13 24.90 0.30 . 1 . . . . . . . . 4394 1 131 . 1 1 17 17 LYS CE C 13 41.40 0.30 . 1 . . . . . . . . 4394 1 132 . 1 1 17 17 LYS N N 15 123.30 0.10 . 1 . . . . . . . . 4394 1 133 . 1 1 18 18 PHE H H 1 9.15 0.01 . 1 . . . . . . . . 4394 1 134 . 1 1 18 18 PHE HA H 1 4.99 0.01 . 1 . . . . . . . . 4394 1 135 . 1 1 18 18 PHE HB2 H 1 2.77 0.01 . 1 . . . . . . . . 4394 1 136 . 1 1 18 18 PHE HB3 H 1 3.15 0.01 . 1 . . . . . . . . 4394 1 137 . 1 1 18 18 PHE HD1 H 1 7.34 0.01 . 1 . . . . . . . . 4394 1 138 . 1 1 18 18 PHE HD2 H 1 7.34 0.01 . 1 . . . . . . . . 4394 1 139 . 1 1 18 18 PHE HE1 H 1 7.25 0.01 . 1 . . . . . . . . 4394 1 140 . 1 1 18 18 PHE HE2 H 1 7.25 0.01 . 1 . . . . . . . . 4394 1 141 . 1 1 18 18 PHE HZ H 1 6.99 0.01 . 1 . . . . . . . . 4394 1 142 . 1 1 18 18 PHE CA C 13 56.60 0.30 . 1 . . . . . . . . 4394 1 143 . 1 1 18 18 PHE CB C 13 43.50 0.30 . 1 . . . . . . . . 4394 1 144 . 1 1 18 18 PHE N N 15 119.30 0.10 . 1 . . . . . . . . 4394 1 145 . 1 1 19 19 ARG H H 1 8.83 0.01 . 1 . . . . . . . . 4394 1 146 . 1 1 19 19 ARG HA H 1 5.17 0.01 . 1 . . . . . . . . 4394 1 147 . 1 1 19 19 ARG HB2 H 1 1.81 0.01 . 1 . . . . . . . . 4394 1 148 . 1 1 19 19 ARG HB3 H 1 1.81 0.01 . 1 . . . . . . . . 4394 1 149 . 1 1 19 19 ARG HG2 H 1 2.09 0.01 . 1 . . . . . . . . 4394 1 150 . 1 1 19 19 ARG HG3 H 1 2.09 0.01 . 1 . . . . . . . . 4394 1 151 . 1 1 19 19 ARG HD2 H 1 3.39 0.01 . 1 . . . . . . . . 4394 1 152 . 1 1 19 19 ARG HD3 H 1 3.39 0.01 . 1 . . . . . . . . 4394 1 153 . 1 1 19 19 ARG CA C 13 52.40 0.30 . 1 . . . . . . . . 4394 1 154 . 1 1 19 19 ARG CB C 13 27.00 0.30 . 1 . . . . . . . . 4394 1 155 . 1 1 19 19 ARG CG C 13 30.80 0.30 . 1 . . . . . . . . 4394 1 156 . 1 1 19 19 ARG CD C 13 42.80 0.30 . 1 . . . . . . . . 4394 1 157 . 1 1 19 19 ARG N N 15 118.30 0.10 . 1 . . . . . . . . 4394 1 158 . 1 1 20 20 PRO HA H 1 4.50 0.01 . 1 . . . . . . . . 4394 1 159 . 1 1 20 20 PRO HB2 H 1 2.27 0.01 . 2 . . . . . . . . 4394 1 160 . 1 1 20 20 PRO HB3 H 1 2.18 0.01 . 2 . . . . . . . . 4394 1 161 . 1 1 20 20 PRO HG2 H 1 1.68 0.01 . 1 . . . . . . . . 4394 1 162 . 1 1 20 20 PRO HG3 H 1 1.68 0.01 . 1 . . . . . . . . 4394 1 163 . 1 1 20 20 PRO HD2 H 1 3.81 0.01 . 2 . . . . . . . . 4394 1 164 . 1 1 20 20 PRO HD3 H 1 3.78 0.01 . 2 . . . . . . . . 4394 1 165 . 1 1 20 20 PRO CA C 13 63.40 0.30 . 1 . . . . . . . . 4394 1 166 . 1 1 20 20 PRO CB C 13 27.70 0.30 . 1 . . . . . . . . 4394 1 167 . 1 1 20 20 PRO CG C 13 27.70 0.30 . 1 . . . . . . . . 4394 1 168 . 1 1 20 20 PRO CD C 13 50.00 0.30 . 1 . . . . . . . . 4394 1 169 . 1 1 21 21 GLY H H 1 8.79 0.01 . 1 . . . . . . . . 4394 1 170 . 1 1 21 21 GLY HA2 H 1 4.20 0.01 . 2 . . . . . . . . 4394 1 171 . 1 1 21 21 GLY HA3 H 1 4.06 0.01 . 2 . . . . . . . . 4394 1 172 . 1 1 21 21 GLY CA C 13 45.20 0.30 . 1 . . . . . . . . 4394 1 173 . 1 1 21 21 GLY N N 15 106.20 0.10 . 1 . . . . . . . . 4394 1 174 . 1 1 22 22 THR H H 1 7.91 0.01 . 1 . . . . . . . . 4394 1 175 . 1 1 22 22 THR HA H 1 4.50 0.01 . 1 . . . . . . . . 4394 1 176 . 1 1 22 22 THR HG21 H 1 1.52 0.01 . 1 . . . . . . . . 4394 1 177 . 1 1 22 22 THR HG22 H 1 1.52 0.01 . 1 . . . . . . . . 4394 1 178 . 1 1 22 22 THR HG23 H 1 1.52 0.01 . 1 . . . . . . . . 4394 1 179 . 1 1 22 22 THR CA C 13 62.70 0.30 . 1 . . . . . . . . 4394 1 180 . 1 1 22 22 THR CG2 C 13 20.80 0.30 . 1 . . . . . . . . 4394 1 181 . 1 1 22 22 THR N N 15 113.10 0.10 . 1 . . . . . . . . 4394 1 182 . 1 1 23 23 ASP H H 1 8.82 0.01 . 1 . . . . . . . . 4394 1 183 . 1 1 23 23 ASP HA H 1 4.89 0.01 . 1 . . . . . . . . 4394 1 184 . 1 1 23 23 ASP HB2 H 1 2.96 0.01 . 1 . . . . . . . . 4394 1 185 . 1 1 23 23 ASP HB3 H 1 2.96 0.01 . 1 . . . . . . . . 4394 1 186 . 1 1 23 23 ASP CA C 13 53.50 0.30 . 1 . . . . . . . . 4394 1 187 . 1 1 23 23 ASP CB C 13 41.80 0.30 . 1 . . . . . . . . 4394 1 188 . 1 1 23 23 ASP N N 15 122.90 0.10 . 1 . . . . . . . . 4394 1 189 . 1 1 24 24 GLU H H 1 8.89 0.01 . 1 . . . . . . . . 4394 1 190 . 1 1 24 24 GLU HA H 1 4.47 0.01 . 1 . . . . . . . . 4394 1 191 . 1 1 24 24 GLU HB2 H 1 2.30 0.01 . 2 . . . . . . . . 4394 1 192 . 1 1 24 24 GLU HB3 H 1 2.14 0.01 . 2 . . . . . . . . 4394 1 193 . 1 1 24 24 GLU HG2 H 1 2.62 0.01 . 1 . . . . . . . . 4394 1 194 . 1 1 24 24 GLU HG3 H 1 2.62 0.01 . 1 . . . . . . . . 4394 1 195 . 1 1 24 24 GLU CA C 13 58.60 0.30 . 1 . . . . . . . . 4394 1 196 . 1 1 24 24 GLU CB C 13 31.50 0.30 . 1 . . . . . . . . 4394 1 197 . 1 1 24 24 GLU CG C 13 38.70 0.30 . 1 . . . . . . . . 4394 1 198 . 1 1 24 24 GLU N N 15 120.80 0.10 . 1 . . . . . . . . 4394 1 199 . 1 1 25 25 GLY H H 1 8.75 0.01 . 1 . . . . . . . . 4394 1 200 . 1 1 25 25 GLY HA2 H 1 4.15 0.01 . 2 . . . . . . . . 4394 1 201 . 1 1 25 25 GLY HA3 H 1 4.12 0.01 . 2 . . . . . . . . 4394 1 202 . 1 1 25 25 GLY CA C 13 45.20 0.30 . 1 . . . . . . . . 4394 1 203 . 1 1 25 25 GLY N N 15 105.00 0.10 . 1 . . . . . . . . 4394 1 204 . 1 1 26 26 ASP H H 1 8.09 0.01 . 1 . . . . . . . . 4394 1 205 . 1 1 26 26 ASP HA H 1 4.74 0.01 . 1 . . . . . . . . 4394 1 206 . 1 1 26 26 ASP HB2 H 1 2.92 0.01 . 1 . . . . . . . . 4394 1 207 . 1 1 26 26 ASP HB3 H 1 2.92 0.01 . 1 . . . . . . . . 4394 1 208 . 1 1 26 26 ASP CA C 13 55.90 0.30 . 1 . . . . . . . . 4394 1 209 . 1 1 26 26 ASP CB C 13 41.40 0.30 . 1 . . . . . . . . 4394 1 210 . 1 1 26 26 ASP N N 15 120.00 0.10 . 1 . . . . . . . . 4394 1 211 . 1 1 27 27 TYR H H 1 8.62 0.01 . 1 . . . . . . . . 4394 1 212 . 1 1 27 27 TYR HA H 1 4.07 0.01 . 1 . . . . . . . . 4394 1 213 . 1 1 27 27 TYR HB2 H 1 3.31 0.01 . 1 . . . . . . . . 4394 1 214 . 1 1 27 27 TYR HB3 H 1 3.43 0.01 . 1 . . . . . . . . 4394 1 215 . 1 1 27 27 TYR HD1 H 1 7.08 0.01 . 1 . . . . . . . . 4394 1 216 . 1 1 27 27 TYR HD2 H 1 7.08 0.01 . 1 . . . . . . . . 4394 1 217 . 1 1 27 27 TYR HE1 H 1 6.79 0.01 . 1 . . . . . . . . 4394 1 218 . 1 1 27 27 TYR HE2 H 1 6.79 0.01 . 1 . . . . . . . . 4394 1 219 . 1 1 27 27 TYR CA C 13 62.70 0.30 . 1 . . . . . . . . 4394 1 220 . 1 1 27 27 TYR CB C 13 38.30 0.30 . 1 . . . . . . . . 4394 1 221 . 1 1 27 27 TYR N N 15 118.30 0.10 . 1 . . . . . . . . 4394 1 222 . 1 1 28 28 GLN H H 1 8.55 0.01 . 1 . . . . . . . . 4394 1 223 . 1 1 28 28 GLN HA H 1 4.03 0.01 . 1 . . . . . . . . 4394 1 224 . 1 1 28 28 GLN HB2 H 1 2.40 0.01 . 1 . . . . . . . . 4394 1 225 . 1 1 28 28 GLN HB3 H 1 2.34 0.01 . 1 . . . . . . . . 4394 1 226 . 1 1 28 28 GLN HG2 H 1 2.97 0.01 . 2 . . . . . . . . 4394 1 227 . 1 1 28 28 GLN HG3 H 1 2.81 0.01 . 2 . . . . . . . . 4394 1 228 . 1 1 28 28 GLN HE21 H 1 7.35 0.01 . 2 . . . . . . . . 4394 1 229 . 1 1 28 28 GLN HE22 H 1 7.99 0.01 . 2 . . . . . . . . 4394 1 230 . 1 1 28 28 GLN CA C 13 58.30 0.30 . 1 . . . . . . . . 4394 1 231 . 1 1 28 28 GLN CB C 13 27.70 0.30 . 1 . . . . . . . . 4394 1 232 . 1 1 28 28 GLN CG C 13 32.80 0.30 . 1 . . . . . . . . 4394 1 233 . 1 1 28 28 GLN N N 15 112.80 0.10 . 1 . . . . . . . . 4394 1 234 . 1 1 28 28 GLN NE2 N 15 111.00 0.10 . 1 . . . . . . . . 4394 1 235 . 1 1 29 29 VAL H H 1 7.78 0.01 . 1 . . . . . . . . 4394 1 236 . 1 1 29 29 VAL HA H 1 3.81 0.01 . 1 . . . . . . . . 4394 1 237 . 1 1 29 29 VAL HB H 1 2.39 0.01 . 1 . . . . . . . . 4394 1 238 . 1 1 29 29 VAL HG11 H 1 1.26 0.01 . 1 . . . . . . . . 4394 1 239 . 1 1 29 29 VAL HG12 H 1 1.26 0.01 . 1 . . . . . . . . 4394 1 240 . 1 1 29 29 VAL HG13 H 1 1.26 0.01 . 1 . . . . . . . . 4394 1 241 . 1 1 29 29 VAL HG21 H 1 1.10 0.01 . 1 . . . . . . . . 4394 1 242 . 1 1 29 29 VAL HG22 H 1 1.10 0.01 . 1 . . . . . . . . 4394 1 243 . 1 1 29 29 VAL HG23 H 1 1.10 0.01 . 1 . . . . . . . . 4394 1 244 . 1 1 29 29 VAL CA C 13 66.20 0.30 . 1 . . . . . . . . 4394 1 245 . 1 1 29 29 VAL CB C 13 31.80 0.30 . 1 . . . . . . . . 4394 1 246 . 1 1 29 29 VAL CG1 C 13 22.20 0.30 . 1 . . . . . . . . 4394 1 247 . 1 1 29 29 VAL CG2 C 13 20.80 0.30 . 1 . . . . . . . . 4394 1 248 . 1 1 29 29 VAL N N 15 117.70 0.10 . 1 . . . . . . . . 4394 1 249 . 1 1 30 30 LYS H H 1 8.05 0.01 . 1 . . . . . . . . 4394 1 250 . 1 1 30 30 LYS HA H 1 3.99 0.01 . 1 . . . . . . . . 4394 1 251 . 1 1 30 30 LYS HB2 H 1 1.35 0.01 . 1 . . . . . . . . 4394 1 252 . 1 1 30 30 LYS HB3 H 1 1.84 0.01 . 1 . . . . . . . . 4394 1 253 . 1 1 30 30 LYS HG2 H 1 1.52 0.01 . 2 . . . . . . . . 4394 1 254 . 1 1 30 30 LYS HG3 H 1 1.35 0.01 . 2 . . . . . . . . 4394 1 255 . 1 1 30 30 LYS HD2 H 1 1.27 0.01 . 2 . . . . . . . . 4394 1 256 . 1 1 30 30 LYS HD3 H 1 1.06 0.01 . 2 . . . . . . . . 4394 1 257 . 1 1 30 30 LYS HE2 H 1 3.04 0.01 . 1 . . . . . . . . 4394 1 258 . 1 1 30 30 LYS HE3 H 1 3.04 0.01 . 1 . . . . . . . . 4394 1 259 . 1 1 30 30 LYS CA C 13 59.30 0.30 . 1 . . . . . . . . 4394 1 260 . 1 1 30 30 LYS CB C 13 32.20 0.30 . 1 . . . . . . . . 4394 1 261 . 1 1 30 30 LYS CG C 13 26.30 0.30 . 1 . . . . . . . . 4394 1 262 . 1 1 30 30 LYS CD C 13 28.00 0.30 . 1 . . . . . . . . 4394 1 263 . 1 1 30 30 LYS CE C 13 41.80 0.30 . 1 . . . . . . . . 4394 1 264 . 1 1 30 30 LYS N N 15 119.60 0.10 . 1 . . . . . . . . 4394 1 265 . 1 1 31 31 LEU H H 1 9.00 0.01 . 1 . . . . . . . . 4394 1 266 . 1 1 31 31 LEU HA H 1 4.00 0.01 . 1 . . . . . . . . 4394 1 267 . 1 1 31 31 LEU HB2 H 1 1.85 0.01 . 2 . . . . . . . . 4394 1 268 . 1 1 31 31 LEU HB3 H 1 1.34 0.01 . 2 . . . . . . . . 4394 1 269 . 1 1 31 31 LEU HD11 H 1 1.12 0.01 . 2 . . . . . . . . 4394 1 270 . 1 1 31 31 LEU HD12 H 1 1.12 0.01 . 2 . . . . . . . . 4394 1 271 . 1 1 31 31 LEU HD13 H 1 1.12 0.01 . 2 . . . . . . . . 4394 1 272 . 1 1 31 31 LEU HD21 H 1 1.07 0.01 . 2 . . . . . . . . 4394 1 273 . 1 1 31 31 LEU HD22 H 1 1.07 0.01 . 2 . . . . . . . . 4394 1 274 . 1 1 31 31 LEU HD23 H 1 1.07 0.01 . 2 . . . . . . . . 4394 1 275 . 1 1 31 31 LEU CA C 13 58.30 0.30 . 1 . . . . . . . . 4394 1 276 . 1 1 31 31 LEU CB C 13 41.10 0.30 . 1 . . . . . . . . 4394 1 277 . 1 1 31 31 LEU CD1 C 13 24.60 0.30 . 2 . . . . . . . . 4394 1 278 . 1 1 31 31 LEU CD2 C 13 23.20 0.30 . 2 . . . . . . . . 4394 1 279 . 1 1 31 31 LEU N N 15 119.00 0.10 . 1 . . . . . . . . 4394 1 280 . 1 1 32 32 ARG H H 1 7.98 0.01 . 1 . . . . . . . . 4394 1 281 . 1 1 32 32 ARG HA H 1 4.03 0.01 . 1 . . . . . . . . 4394 1 282 . 1 1 32 32 ARG HB2 H 1 2.13 0.01 . 2 . . . . . . . . 4394 1 283 . 1 1 32 32 ARG HB3 H 1 2.05 0.01 . 2 . . . . . . . . 4394 1 284 . 1 1 32 32 ARG HG2 H 1 1.84 0.01 . 1 . . . . . . . . 4394 1 285 . 1 1 32 32 ARG HG3 H 1 1.84 0.01 . 1 . . . . . . . . 4394 1 286 . 1 1 32 32 ARG HD2 H 1 3.34 0.01 . 1 . . . . . . . . 4394 1 287 . 1 1 32 32 ARG HD3 H 1 3.34 0.01 . 1 . . . . . . . . 4394 1 288 . 1 1 32 32 ARG CA C 13 59.70 0.30 . 1 . . . . . . . . 4394 1 289 . 1 1 32 32 ARG N N 15 113.80 0.10 . 1 . . . . . . . . 4394 1 290 . 1 1 33 33 SER H H 1 7.66 0.01 . 1 . . . . . . . . 4394 1 291 . 1 1 33 33 SER HA H 1 4.05 0.01 . 1 . . . . . . . . 4394 1 292 . 1 1 33 33 SER HB2 H 1 3.62 0.01 . 1 . . . . . . . . 4394 1 293 . 1 1 33 33 SER HB3 H 1 3.62 0.01 . 1 . . . . . . . . 4394 1 294 . 1 1 33 33 SER CA C 13 62.10 0.30 . 1 . . . . . . . . 4394 1 295 . 1 1 33 33 SER CB C 13 62.10 0.30 . 1 . . . . . . . . 4394 1 296 . 1 1 33 33 SER N N 15 114.00 0.10 . 1 . . . . . . . . 4394 1 297 . 1 1 34 34 LEU H H 1 7.91 0.01 . 1 . . . . . . . . 4394 1 298 . 1 1 34 34 LEU HA H 1 3.85 0.01 . 1 . . . . . . . . 4394 1 299 . 1 1 34 34 LEU HB2 H 1 2.20 0.01 . 2 . . . . . . . . 4394 1 300 . 1 1 34 34 LEU HB3 H 1 1.55 0.01 . 2 . . . . . . . . 4394 1 301 . 1 1 34 34 LEU HG H 1 1.87 0.01 . 1 . . . . . . . . 4394 1 302 . 1 1 34 34 LEU HD11 H 1 1.01 0.01 . 1 . . . . . . . . 4394 1 303 . 1 1 34 34 LEU HD12 H 1 1.01 0.01 . 1 . . . . . . . . 4394 1 304 . 1 1 34 34 LEU HD13 H 1 1.01 0.01 . 1 . . . . . . . . 4394 1 305 . 1 1 34 34 LEU HD21 H 1 1.01 0.01 . 1 . . . . . . . . 4394 1 306 . 1 1 34 34 LEU HD22 H 1 1.01 0.01 . 1 . . . . . . . . 4394 1 307 . 1 1 34 34 LEU HD23 H 1 1.01 0.01 . 1 . . . . . . . . 4394 1 308 . 1 1 34 34 LEU CA C 13 57.90 0.30 . 1 . . . . . . . . 4394 1 309 . 1 1 34 34 LEU CB C 13 42.10 0.30 . 1 . . . . . . . . 4394 1 310 . 1 1 34 34 LEU CG C 13 26.30 0.30 . 1 . . . . . . . . 4394 1 311 . 1 1 34 34 LEU CD1 C 13 25.60 0.30 . 1 . . . . . . . . 4394 1 312 . 1 1 34 34 LEU CD2 C 13 25.60 0.30 . 1 . . . . . . . . 4394 1 313 . 1 1 34 34 LEU N N 15 119.00 0.10 . 1 . . . . . . . . 4394 1 314 . 1 1 35 35 ILE H H 1 8.53 0.01 . 1 . . . . . . . . 4394 1 315 . 1 1 35 35 ILE HA H 1 3.54 0.01 . 1 . . . . . . . . 4394 1 316 . 1 1 35 35 ILE HB H 1 2.19 0.01 . 1 . . . . . . . . 4394 1 317 . 1 1 35 35 ILE HG12 H 1 1.96 0.01 . 2 . . . . . . . . 4394 1 318 . 1 1 35 35 ILE HG13 H 1 1.87 0.01 . 2 . . . . . . . . 4394 1 319 . 1 1 35 35 ILE HG21 H 1 0.97 0.01 . 1 . . . . . . . . 4394 1 320 . 1 1 35 35 ILE HG22 H 1 0.97 0.01 . 1 . . . . . . . . 4394 1 321 . 1 1 35 35 ILE HG23 H 1 0.97 0.01 . 1 . . . . . . . . 4394 1 322 . 1 1 35 35 ILE HD11 H 1 0.95 0.01 . 1 . . . . . . . . 4394 1 323 . 1 1 35 35 ILE HD12 H 1 0.95 0.01 . 1 . . . . . . . . 4394 1 324 . 1 1 35 35 ILE HD13 H 1 0.95 0.01 . 1 . . . . . . . . 4394 1 325 . 1 1 35 35 ILE CA C 13 65.80 0.30 . 1 . . . . . . . . 4394 1 326 . 1 1 35 35 ILE CB C 13 41.80 0.30 . 1 . . . . . . . . 4394 1 327 . 1 1 35 35 ILE CG1 C 13 30.80 0.30 . 1 . . . . . . . . 4394 1 328 . 1 1 35 35 ILE CG2 C 13 16.30 0.30 . 1 . . . . . . . . 4394 1 329 . 1 1 35 35 ILE CD1 C 13 13.60 0.30 . 1 . . . . . . . . 4394 1 330 . 1 1 35 35 ILE N N 15 115.70 0.10 . 1 . . . . . . . . 4394 1 331 . 1 1 36 36 ARG H H 1 7.38 0.01 . 1 . . . . . . . . 4394 1 332 . 1 1 36 36 ARG HA H 1 4.28 0.01 . 1 . . . . . . . . 4394 1 333 . 1 1 36 36 ARG HB2 H 1 2.05 0.01 . 2 . . . . . . . . 4394 1 334 . 1 1 36 36 ARG HB3 H 1 1.96 0.01 . 2 . . . . . . . . 4394 1 335 . 1 1 36 36 ARG HG2 H 1 1.86 0.01 . 2 . . . . . . . . 4394 1 336 . 1 1 36 36 ARG HG3 H 1 1.77 0.01 . 2 . . . . . . . . 4394 1 337 . 1 1 36 36 ARG HD2 H 1 3.37 0.01 . 1 . . . . . . . . 4394 1 338 . 1 1 36 36 ARG HD3 H 1 3.37 0.01 . 1 . . . . . . . . 4394 1 339 . 1 1 36 36 ARG CA C 13 59.00 0.30 . 1 . . . . . . . . 4394 1 340 . 1 1 36 36 ARG CB C 13 28.70 0.30 . 1 . . . . . . . . 4394 1 341 . 1 1 36 36 ARG CG C 13 27.00 0.30 . 1 . . . . . . . . 4394 1 342 . 1 1 36 36 ARG N N 15 115.90 0.10 . 1 . . . . . . . . 4394 1 343 . 1 1 37 37 PHE H H 1 8.13 0.01 . 1 . . . . . . . . 4394 1 344 . 1 1 37 37 PHE HA H 1 5.07 0.01 . 1 . . . . . . . . 4394 1 345 . 1 1 37 37 PHE HB2 H 1 3.38 0.01 . 1 . . . . . . . . 4394 1 346 . 1 1 37 37 PHE HB3 H 1 3.24 0.01 . 1 . . . . . . . . 4394 1 347 . 1 1 37 37 PHE HD1 H 1 7.30 0.01 . 1 . . . . . . . . 4394 1 348 . 1 1 37 37 PHE HD2 H 1 7.30 0.01 . 1 . . . . . . . . 4394 1 349 . 1 1 37 37 PHE HE1 H 1 7.37 0.01 . 3 . . . . . . . . 4394 1 350 . 1 1 37 37 PHE HE2 H 1 7.30 0.01 . 3 . . . . . . . . 4394 1 351 . 1 1 37 37 PHE CA C 13 57.20 0.30 . 1 . . . . . . . . 4394 1 352 . 1 1 37 37 PHE CB C 13 37.30 0.30 . 1 . . . . . . . . 4394 1 353 . 1 1 37 37 PHE N N 15 115.00 0.10 . 1 . . . . . . . . 4394 1 354 . 1 1 38 38 LEU H H 1 8.26 0.01 . 1 . . . . . . . . 4394 1 355 . 1 1 38 38 LEU HA H 1 4.79 0.01 . 1 . . . . . . . . 4394 1 356 . 1 1 38 38 LEU HB2 H 1 1.71 0.01 . 2 . . . . . . . . 4394 1 357 . 1 1 38 38 LEU HB3 H 1 1.56 0.01 . 2 . . . . . . . . 4394 1 358 . 1 1 38 38 LEU HG H 1 2.05 0.01 . 1 . . . . . . . . 4394 1 359 . 1 1 38 38 LEU HD11 H 1 1.05 0.01 . 2 . . . . . . . . 4394 1 360 . 1 1 38 38 LEU HD12 H 1 1.05 0.01 . 2 . . . . . . . . 4394 1 361 . 1 1 38 38 LEU HD13 H 1 1.05 0.01 . 2 . . . . . . . . 4394 1 362 . 1 1 38 38 LEU HD21 H 1 0.99 0.01 . 2 . . . . . . . . 4394 1 363 . 1 1 38 38 LEU HD22 H 1 0.99 0.01 . 2 . . . . . . . . 4394 1 364 . 1 1 38 38 LEU HD23 H 1 0.99 0.01 . 2 . . . . . . . . 4394 1 365 . 1 1 38 38 LEU CA C 13 57.20 0.30 . 1 . . . . . . . . 4394 1 366 . 1 1 38 38 LEU CB C 13 43.50 0.30 . 1 . . . . . . . . 4394 1 367 . 1 1 38 38 LEU CG C 13 27.30 0.30 . 2 . . . . . . . . 4394 1 368 . 1 1 38 38 LEU CD1 C 13 22.20 0.30 . 2 . . . . . . . . 4394 1 369 . 1 1 38 38 LEU CD2 C 13 27.70 0.30 . 2 . . . . . . . . 4394 1 370 . 1 1 38 38 LEU N N 15 116.30 0.10 . 1 . . . . . . . . 4394 1 371 . 1 1 39 39 GLU H H 1 9.24 0.01 . 1 . . . . . . . . 4394 1 372 . 1 1 39 39 GLU HA H 1 4.26 0.01 . 1 . . . . . . . . 4394 1 373 . 1 1 39 39 GLU HB2 H 1 2.53 0.01 . 2 . . . . . . . . 4394 1 374 . 1 1 39 39 GLU HB3 H 1 2.21 0.01 . 2 . . . . . . . . 4394 1 375 . 1 1 39 39 GLU HG2 H 1 2.78 0.01 . 2 . . . . . . . . 4394 1 376 . 1 1 39 39 GLU HG3 H 1 2.43 0.01 . 2 . . . . . . . . 4394 1 377 . 1 1 39 39 GLU CA C 13 59.30 0.30 . 1 . . . . . . . . 4394 1 378 . 1 1 39 39 GLU CB C 13 29.40 0.30 . 1 . . . . . . . . 4394 1 379 . 1 1 39 39 GLU CG C 13 37.30 0.30 . 1 . . . . . . . . 4394 1 380 . 1 1 39 39 GLU N N 15 119.80 0.10 . 1 . . . . . . . . 4394 1 381 . 1 1 40 40 GLU H H 1 8.05 0.01 . 1 . . . . . . . . 4394 1 382 . 1 1 40 40 GLU HA H 1 4.45 0.01 . 1 . . . . . . . . 4394 1 383 . 1 1 40 40 GLU HB2 H 1 2.45 0.01 . 4 . . . . . . . . 4394 1 384 . 1 1 40 40 GLU HB3 H 1 2.45 0.01 . 4 . . . . . . . . 4394 1 385 . 1 1 40 40 GLU HG2 H 1 2.55 0.01 . 4 . . . . . . . . 4394 1 386 . 1 1 40 40 GLU HG3 H 1 2.55 0.01 . 4 . . . . . . . . 4394 1 387 . 1 1 40 40 GLU CA C 13 56.60 0.30 . 1 . . . . . . . . 4394 1 388 . 1 1 40 40 GLU CB C 13 36.30 0.30 . 4 . . . . . . . . 4394 1 389 . 1 1 40 40 GLU CG C 13 36.30 0.30 . 4 . . . . . . . . 4394 1 390 . 1 1 40 40 GLU N N 15 114.90 0.10 . 1 . . . . . . . . 4394 1 391 . 1 1 41 41 GLY H H 1 8.10 0.01 . 1 . . . . . . . . 4394 1 392 . 1 1 41 41 GLY HA2 H 1 4.47 0.01 . 2 . . . . . . . . 4394 1 393 . 1 1 41 41 GLY HA3 H 1 3.77 0.01 . 2 . . . . . . . . 4394 1 394 . 1 1 41 41 GLY CA C 13 45.20 0.30 . 1 . . . . . . . . 4394 1 395 . 1 1 41 41 GLY N N 15 105.00 0.10 . 1 . . . . . . . . 4394 1 396 . 1 1 42 42 ASP H H 1 8.21 0.01 . 1 . . . . . . . . 4394 1 397 . 1 1 42 42 ASP HA H 1 5.24 0.01 . 1 . . . . . . . . 4394 1 398 . 1 1 42 42 ASP HB2 H 1 2.53 0.01 . 1 . . . . . . . . 4394 1 399 . 1 1 42 42 ASP HB3 H 1 2.92 0.01 . 1 . . . . . . . . 4394 1 400 . 1 1 42 42 ASP CA C 13 53.80 0.30 . 1 . . . . . . . . 4394 1 401 . 1 1 42 42 ASP CB C 13 42.10 0.30 . 1 . . . . . . . . 4394 1 402 . 1 1 42 42 ASP N N 15 119.70 0.10 . 1 . . . . . . . . 4394 1 403 . 1 1 43 43 LYS H H 1 8.00 0.01 . 1 . . . . . . . . 4394 1 404 . 1 1 43 43 LYS HA H 1 4.79 0.01 . 1 . . . . . . . . 4394 1 405 . 1 1 43 43 LYS HB2 H 1 2.19 0.01 . 2 . . . . . . . . 4394 1 406 . 1 1 43 43 LYS HB3 H 1 1.97 0.01 . 2 . . . . . . . . 4394 1 407 . 1 1 43 43 LYS HG2 H 1 1.84 0.01 . 4 . . . . . . . . 4394 1 408 . 1 1 43 43 LYS HG3 H 1 1.84 0.01 . 4 . . . . . . . . 4394 1 409 . 1 1 43 43 LYS HD2 H 1 1.76 0.01 . 4 . . . . . . . . 4394 1 410 . 1 1 43 43 LYS HD3 H 1 1.76 0.01 . 4 . . . . . . . . 4394 1 411 . 1 1 43 43 LYS CA C 13 55.90 0.30 . 1 . . . . . . . . 4394 1 412 . 1 1 43 43 LYS N N 15 110.30 0.10 . 1 . . . . . . . . 4394 1 413 . 1 1 44 44 ALA H H 1 8.83 0.01 . 1 . . . . . . . . 4394 1 414 . 1 1 44 44 ALA HA H 1 5.47 0.01 . 1 . . . . . . . . 4394 1 415 . 1 1 44 44 ALA HB1 H 1 1.39 0.01 . 1 . . . . . . . . 4394 1 416 . 1 1 44 44 ALA HB2 H 1 1.39 0.01 . 1 . . . . . . . . 4394 1 417 . 1 1 44 44 ALA HB3 H 1 1.39 0.01 . 1 . . . . . . . . 4394 1 418 . 1 1 44 44 ALA CA C 13 49.70 0.30 . 1 . . . . . . . . 4394 1 419 . 1 1 44 44 ALA CB C 13 22.50 0.30 . 1 . . . . . . . . 4394 1 420 . 1 1 44 44 ALA N N 15 118.70 0.10 . 1 . . . . . . . . 4394 1 421 . 1 1 45 45 LYS H H 1 9.32 0.01 . 1 . . . . . . . . 4394 1 422 . 1 1 45 45 LYS HA H 1 5.08 0.01 . 1 . . . . . . . . 4394 1 423 . 1 1 45 45 LYS HB2 H 1 1.73 0.01 . 1 . . . . . . . . 4394 1 424 . 1 1 45 45 LYS HB3 H 1 1.73 0.01 . 1 . . . . . . . . 4394 1 425 . 1 1 45 45 LYS HG2 H 1 1.31 0.01 . 1 . . . . . . . . 4394 1 426 . 1 1 45 45 LYS HG3 H 1 1.31 0.01 . 1 . . . . . . . . 4394 1 427 . 1 1 45 45 LYS HD2 H 1 1.60 0.01 . 1 . . . . . . . . 4394 1 428 . 1 1 45 45 LYS HD3 H 1 1.60 0.01 . 1 . . . . . . . . 4394 1 429 . 1 1 45 45 LYS HE2 H 1 2.95 0.01 . 1 . . . . . . . . 4394 1 430 . 1 1 45 45 LYS HE3 H 1 2.95 0.01 . 1 . . . . . . . . 4394 1 431 . 1 1 45 45 LYS CA C 13 54.50 0.30 . 1 . . . . . . . . 4394 1 432 . 1 1 45 45 LYS CB C 13 32.20 0.30 . 1 . . . . . . . . 4394 1 433 . 1 1 45 45 LYS CG C 13 24.60 0.30 . 1 . . . . . . . . 4394 1 434 . 1 1 45 45 LYS CD C 13 27.30 0.30 . 1 . . . . . . . . 4394 1 435 . 1 1 45 45 LYS CE C 13 41.10 0.30 . 1 . . . . . . . . 4394 1 436 . 1 1 45 45 LYS N N 15 122.40 0.10 . 1 . . . . . . . . 4394 1 437 . 1 1 46 46 ILE H H 1 9.65 0.01 . 1 . . . . . . . . 4394 1 438 . 1 1 46 46 ILE HA H 1 5.10 0.01 . 1 . . . . . . . . 4394 1 439 . 1 1 46 46 ILE HB H 1 2.06 0.01 . 1 . . . . . . . . 4394 1 440 . 1 1 46 46 ILE HG12 H 1 1.61 0.01 . 2 . . . . . . . . 4394 1 441 . 1 1 46 46 ILE HG13 H 1 1.33 0.01 . 2 . . . . . . . . 4394 1 442 . 1 1 46 46 ILE HG21 H 1 0.94 0.01 . 1 . . . . . . . . 4394 1 443 . 1 1 46 46 ILE HG22 H 1 0.94 0.01 . 1 . . . . . . . . 4394 1 444 . 1 1 46 46 ILE HG23 H 1 0.94 0.01 . 1 . . . . . . . . 4394 1 445 . 1 1 46 46 ILE HD11 H 1 0.99 0.01 . 1 . . . . . . . . 4394 1 446 . 1 1 46 46 ILE HD12 H 1 0.99 0.01 . 1 . . . . . . . . 4394 1 447 . 1 1 46 46 ILE HD13 H 1 0.99 0.01 . 1 . . . . . . . . 4394 1 448 . 1 1 46 46 ILE CA C 13 59.70 0.30 . 1 . . . . . . . . 4394 1 449 . 1 1 46 46 ILE CB C 13 38.70 0.30 . 1 . . . . . . . . 4394 1 450 . 1 1 46 46 ILE CG1 C 13 29.40 0.30 . 1 . . . . . . . . 4394 1 451 . 1 1 46 46 ILE CG2 C 13 19.40 0.30 . 1 . . . . . . . . 4394 1 452 . 1 1 46 46 ILE CD1 C 13 15.70 0.30 . 1 . . . . . . . . 4394 1 453 . 1 1 46 46 ILE N N 15 126.60 0.10 . 1 . . . . . . . . 4394 1 454 . 1 1 47 47 THR H H 1 8.72 0.01 . 1 . . . . . . . . 4394 1 455 . 1 1 47 47 THR HA H 1 5.08 0.01 . 1 . . . . . . . . 4394 1 456 . 1 1 47 47 THR HB H 1 4.12 0.01 . 1 . . . . . . . . 4394 1 457 . 1 1 47 47 THR HG21 H 1 1.20 0.01 . 1 . . . . . . . . 4394 1 458 . 1 1 47 47 THR HG22 H 1 1.20 0.01 . 1 . . . . . . . . 4394 1 459 . 1 1 47 47 THR HG23 H 1 1.20 0.01 . 1 . . . . . . . . 4394 1 460 . 1 1 47 47 THR CA C 13 60.70 0.30 . 1 . . . . . . . . 4394 1 461 . 1 1 47 47 THR CB C 13 69.80 0.30 . 1 . . . . . . . . 4394 1 462 . 1 1 47 47 THR CG2 C 13 22.20 0.30 . 1 . . . . . . . . 4394 1 463 . 1 1 47 47 THR N N 15 120.40 0.10 . 1 . . . . . . . . 4394 1 464 . 1 1 48 48 LEU H H 1 9.28 0.01 . 1 . . . . . . . . 4394 1 465 . 1 1 48 48 LEU HA H 1 5.16 0.01 . 1 . . . . . . . . 4394 1 466 . 1 1 48 48 LEU HB2 H 1 1.70 0.01 . 1 . . . . . . . . 4394 1 467 . 1 1 48 48 LEU HB3 H 1 1.56 0.01 . 1 . . . . . . . . 4394 1 468 . 1 1 48 48 LEU HG H 1 1.87 0.01 . 1 . . . . . . . . 4394 1 469 . 1 1 48 48 LEU HD11 H 1 0.78 0.01 . 1 . . . . . . . . 4394 1 470 . 1 1 48 48 LEU HD12 H 1 0.78 0.01 . 1 . . . . . . . . 4394 1 471 . 1 1 48 48 LEU HD13 H 1 0.78 0.01 . 1 . . . . . . . . 4394 1 472 . 1 1 48 48 LEU HD21 H 1 0.78 0.01 . 1 . . . . . . . . 4394 1 473 . 1 1 48 48 LEU HD22 H 1 0.78 0.01 . 1 . . . . . . . . 4394 1 474 . 1 1 48 48 LEU HD23 H 1 0.78 0.01 . 1 . . . . . . . . 4394 1 475 . 1 1 48 48 LEU CA C 13 53.10 0.30 . 1 . . . . . . . . 4394 1 476 . 1 1 48 48 LEU CB C 13 43.80 0.30 . 1 . . . . . . . . 4394 1 477 . 1 1 48 48 LEU CG C 13 27.30 0.30 . 1 . . . . . . . . 4394 1 478 . 1 1 48 48 LEU CD1 C 13 25.30 0.30 . 1 . . . . . . . . 4394 1 479 . 1 1 48 48 LEU CD2 C 13 25.30 0.30 . 1 . . . . . . . . 4394 1 480 . 1 1 48 48 LEU N N 15 126.30 0.10 . 1 . . . . . . . . 4394 1 481 . 1 1 49 49 ARG H H 1 8.35 0.01 . 1 . . . . . . . . 4394 1 482 . 1 1 49 49 ARG HA H 1 5.15 0.01 . 1 . . . . . . . . 4394 1 483 . 1 1 49 49 ARG HB2 H 1 2.00 0.01 . 2 . . . . . . . . 4394 1 484 . 1 1 49 49 ARG HB3 H 1 1.80 0.01 . 2 . . . . . . . . 4394 1 485 . 1 1 49 49 ARG HD2 H 1 3.40 0.01 . 2 . . . . . . . . 4394 1 486 . 1 1 49 49 ARG HD3 H 1 3.35 0.01 . 2 . . . . . . . . 4394 1 487 . 1 1 49 49 ARG CA C 13 54.20 0.30 . 1 . . . . . . . . 4394 1 488 . 1 1 49 49 ARG CB C 13 32.20 0.30 . 1 . . . . . . . . 4394 1 489 . 1 1 49 49 ARG N N 15 122.00 0.10 . 1 . . . . . . . . 4394 1 490 . 1 1 50 50 PHE H H 1 8.68 0.01 . 1 . . . . . . . . 4394 1 491 . 1 1 50 50 PHE HA H 1 4.84 0.01 . 1 . . . . . . . . 4394 1 492 . 1 1 50 50 PHE HB2 H 1 3.33 0.01 . 2 . . . . . . . . 4394 1 493 . 1 1 50 50 PHE HB3 H 1 3.19 0.01 . 2 . . . . . . . . 4394 1 494 . 1 1 50 50 PHE HD1 H 1 7.30 0.01 . 1 . . . . . . . . 4394 1 495 . 1 1 50 50 PHE HD2 H 1 7.30 0.01 . 1 . . . . . . . . 4394 1 496 . 1 1 50 50 PHE HE1 H 1 7.46 0.01 . 1 . . . . . . . . 4394 1 497 . 1 1 50 50 PHE HE2 H 1 7.46 0.01 . 1 . . . . . . . . 4394 1 498 . 1 1 50 50 PHE CA C 13 57.20 0.30 . 1 . . . . . . . . 4394 1 499 . 1 1 50 50 PHE CB C 13 39.40 0.30 . 1 . . . . . . . . 4394 1 500 . 1 1 50 50 PHE N N 15 119.70 0.10 . 1 . . . . . . . . 4394 1 501 . 1 1 51 51 ARG H H 1 9.33 0.01 . 1 . . . . . . . . 4394 1 502 . 1 1 51 51 ARG HA H 1 4.69 0.01 . 1 . . . . . . . . 4394 1 503 . 1 1 51 51 ARG N N 15 119.50 0.10 . 1 . . . . . . . . 4394 1 504 . 1 1 52 52 GLY H H 1 8.99 0.01 . 1 . . . . . . . . 4394 1 505 . 1 1 52 52 GLY HA2 H 1 4.19 0.01 . 2 . . . . . . . . 4394 1 506 . 1 1 52 52 GLY HA3 H 1 4.04 0.01 . 2 . . . . . . . . 4394 1 507 . 1 1 52 52 GLY CA C 13 45.90 0.30 . 1 . . . . . . . . 4394 1 508 . 1 1 52 52 GLY N N 15 108.50 0.10 . 1 . . . . . . . . 4394 1 509 . 1 1 53 53 ARG H H 1 8.39 0.01 . 1 . . . . . . . . 4394 1 510 . 1 1 53 53 ARG HA H 1 4.43 0.01 . 1 . . . . . . . . 4394 1 511 . 1 1 53 53 ARG N N 15 117.80 0.10 . 1 . . . . . . . . 4394 1 512 . 1 1 54 54 GLU H H 1 8.32 0.01 . 1 . . . . . . . . 4394 1 513 . 1 1 54 54 GLU HA H 1 4.23 0.01 . 1 . . . . . . . . 4394 1 514 . 1 1 54 54 GLU N N 15 117.70 0.10 . 1 . . . . . . . . 4394 1 515 . 1 1 56 56 ALA H H 1 8.23 0.01 . 1 . . . . . . . . 4394 1 516 . 1 1 56 56 ALA HA H 1 4.15 0.01 . 1 . . . . . . . . 4394 1 517 . 1 1 56 56 ALA HB1 H 1 1.31 0.01 . 1 . . . . . . . . 4394 1 518 . 1 1 56 56 ALA HB2 H 1 1.31 0.01 . 1 . . . . . . . . 4394 1 519 . 1 1 56 56 ALA HB3 H 1 1.31 0.01 . 1 . . . . . . . . 4394 1 520 . 1 1 56 56 ALA CA C 13 52.80 0.30 . 1 . . . . . . . . 4394 1 521 . 1 1 56 56 ALA CB C 13 18.10 0.30 . 1 . . . . . . . . 4394 1 522 . 1 1 56 56 ALA N N 15 119.40 0.10 . 1 . . . . . . . . 4394 1 523 . 1 1 57 57 HIS H H 1 7.55 0.01 . 1 . . . . . . . . 4394 1 524 . 1 1 57 57 HIS HA H 1 4.83 0.01 . 1 . . . . . . . . 4394 1 525 . 1 1 57 57 HIS HB2 H 1 3.15 0.01 . 1 . . . . . . . . 4394 1 526 . 1 1 57 57 HIS HB3 H 1 3.15 0.01 . 1 . . . . . . . . 4394 1 527 . 1 1 57 57 HIS HD2 H 1 7.15 0.01 . 1 . . . . . . . . 4394 1 528 . 1 1 57 57 HIS HE1 H 1 8.01 0.01 . 1 . . . . . . . . 4394 1 529 . 1 1 57 57 HIS CA C 13 55.50 0.30 . 1 . . . . . . . . 4394 1 530 . 1 1 57 57 HIS CB C 13 30.40 0.30 . 1 . . . . . . . . 4394 1 531 . 1 1 57 57 HIS N N 15 115.40 0.10 . 1 . . . . . . . . 4394 1 532 . 1 1 59 59 GLN H H 1 8.94 0.01 . 1 . . . . . . . . 4394 1 533 . 1 1 59 59 GLN HA H 1 4.26 0.01 . 1 . . . . . . . . 4394 1 534 . 1 1 59 59 GLN HB2 H 1 2.28 0.01 . 1 . . . . . . . . 4394 1 535 . 1 1 59 59 GLN HB3 H 1 2.36 0.01 . 1 . . . . . . . . 4394 1 536 . 1 1 59 59 GLN HG2 H 1 2.61 0.01 . 1 . . . . . . . . 4394 1 537 . 1 1 59 59 GLN HG3 H 1 2.61 0.01 . 1 . . . . . . . . 4394 1 538 . 1 1 59 59 GLN CA C 13 58.30 0.30 . 1 . . . . . . . . 4394 1 539 . 1 1 59 59 GLN CB C 13 27.30 0.30 . 1 . . . . . . . . 4394 1 540 . 1 1 59 59 GLN CG C 13 33.20 0.30 . 1 . . . . . . . . 4394 1 541 . 1 1 59 59 GLN N N 15 116.60 0.10 . 1 . . . . . . . . 4394 1 542 . 1 1 60 60 ILE H H 1 7.83 0.01 . 1 . . . . . . . . 4394 1 543 . 1 1 60 60 ILE HA H 1 4.20 0.01 . 1 . . . . . . . . 4394 1 544 . 1 1 60 60 ILE HB H 1 2.22 0.01 . 1 . . . . . . . . 4394 1 545 . 1 1 60 60 ILE HG12 H 1 1.80 0.01 . 2 . . . . . . . . 4394 1 546 . 1 1 60 60 ILE HG13 H 1 1.51 0.01 . 2 . . . . . . . . 4394 1 547 . 1 1 60 60 ILE HG21 H 1 1.20 0.01 . 1 . . . . . . . . 4394 1 548 . 1 1 60 60 ILE HG22 H 1 1.20 0.01 . 1 . . . . . . . . 4394 1 549 . 1 1 60 60 ILE HG23 H 1 1.20 0.01 . 1 . . . . . . . . 4394 1 550 . 1 1 60 60 ILE HD11 H 1 1.07 0.01 . 1 . . . . . . . . 4394 1 551 . 1 1 60 60 ILE HD12 H 1 1.07 0.01 . 1 . . . . . . . . 4394 1 552 . 1 1 60 60 ILE HD13 H 1 1.07 0.01 . 1 . . . . . . . . 4394 1 553 . 1 1 60 60 ILE CA C 13 63.40 0.30 . 1 . . . . . . . . 4394 1 554 . 1 1 60 60 ILE CB C 13 37.30 0.30 . 1 . . . . . . . . 4394 1 555 . 1 1 60 60 ILE CG1 C 13 28.00 0.30 . 1 . . . . . . . . 4394 1 556 . 1 1 60 60 ILE CG2 C 13 17.40 0.30 . 1 . . . . . . . . 4394 1 557 . 1 1 60 60 ILE CD1 C 13 12.60 0.30 . 1 . . . . . . . . 4394 1 558 . 1 1 60 60 ILE N N 15 116.60 0.10 . 1 . . . . . . . . 4394 1 559 . 1 1 61 61 GLY H H 1 8.31 0.01 . 1 . . . . . . . . 4394 1 560 . 1 1 61 61 GLY HA2 H 1 4.09 0.01 . 2 . . . . . . . . 4394 1 561 . 1 1 61 61 GLY HA3 H 1 4.00 0.01 . 2 . . . . . . . . 4394 1 562 . 1 1 61 61 GLY CA C 13 47.30 0.30 . 1 . . . . . . . . 4394 1 563 . 1 1 61 61 GLY N N 15 104.50 0.10 . 1 . . . . . . . . 4394 1 564 . 1 1 62 62 MET H H 1 8.40 0.01 . 1 . . . . . . . . 4394 1 565 . 1 1 62 62 MET HA H 1 4.38 0.01 . 1 . . . . . . . . 4394 1 566 . 1 1 62 62 MET HB2 H 1 2.43 0.01 . 2 . . . . . . . . 4394 1 567 . 1 1 62 62 MET HB3 H 1 2.33 0.01 . 2 . . . . . . . . 4394 1 568 . 1 1 62 62 MET HG2 H 1 2.91 0.01 . 2 . . . . . . . . 4394 1 569 . 1 1 62 62 MET HG3 H 1 2.81 0.01 . 2 . . . . . . . . 4394 1 570 . 1 1 62 62 MET CA C 13 57.60 0.30 . 1 . . . . . . . . 4394 1 571 . 1 1 62 62 MET CB C 13 31.50 0.30 . 1 . . . . . . . . 4394 1 572 . 1 1 62 62 MET CG C 13 32.50 0.30 . 1 . . . . . . . . 4394 1 573 . 1 1 62 62 MET N N 15 117.10 0.10 . 1 . . . . . . . . 4394 1 574 . 1 1 63 63 GLU H H 1 8.17 0.01 . 1 . . . . . . . . 4394 1 575 . 1 1 63 63 GLU HA H 1 4.30 0.01 . 1 . . . . . . . . 4394 1 576 . 1 1 63 63 GLU HB2 H 1 2.42 0.01 . 1 . . . . . . . . 4394 1 577 . 1 1 63 63 GLU HB3 H 1 2.31 0.01 . 1 . . . . . . . . 4394 1 578 . 1 1 63 63 GLU HG2 H 1 2.66 0.01 . 2 . . . . . . . . 4394 1 579 . 1 1 63 63 GLU HG3 H 1 2.45 0.01 . 2 . . . . . . . . 4394 1 580 . 1 1 63 63 GLU CA C 13 59.70 0.30 . 1 . . . . . . . . 4394 1 581 . 1 1 63 63 GLU CB C 13 28.70 0.30 . 1 . . . . . . . . 4394 1 582 . 1 1 63 63 GLU CG C 13 36.30 0.30 . 1 . . . . . . . . 4394 1 583 . 1 1 63 63 GLU N N 15 116.50 0.10 . 1 . . . . . . . . 4394 1 584 . 1 1 64 64 VAL H H 1 7.89 0.01 . 1 . . . . . . . . 4394 1 585 . 1 1 64 64 VAL HA H 1 3.88 0.01 . 1 . . . . . . . . 4394 1 586 . 1 1 64 64 VAL HB H 1 2.32 0.01 . 1 . . . . . . . . 4394 1 587 . 1 1 64 64 VAL HG11 H 1 1.30 0.01 . 1 . . . . . . . . 4394 1 588 . 1 1 64 64 VAL HG12 H 1 1.30 0.01 . 1 . . . . . . . . 4394 1 589 . 1 1 64 64 VAL HG13 H 1 1.30 0.01 . 1 . . . . . . . . 4394 1 590 . 1 1 64 64 VAL HG21 H 1 0.87 0.01 . 1 . . . . . . . . 4394 1 591 . 1 1 64 64 VAL HG22 H 1 0.87 0.01 . 1 . . . . . . . . 4394 1 592 . 1 1 64 64 VAL HG23 H 1 0.87 0.01 . 1 . . . . . . . . 4394 1 593 . 1 1 64 64 VAL CA C 13 66.20 0.30 . 1 . . . . . . . . 4394 1 594 . 1 1 64 64 VAL CB C 13 31.50 0.30 . 1 . . . . . . . . 4394 1 595 . 1 1 64 64 VAL CG1 C 13 22.50 0.30 . 1 . . . . . . . . 4394 1 596 . 1 1 64 64 VAL CG2 C 13 20.50 0.30 . 1 . . . . . . . . 4394 1 597 . 1 1 64 64 VAL N N 15 117.70 0.10 . 1 . . . . . . . . 4394 1 598 . 1 1 65 65 LEU H H 1 7.85 0.01 . 1 . . . . . . . . 4394 1 599 . 1 1 65 65 LEU HA H 1 4.01 0.01 . 1 . . . . . . . . 4394 1 600 . 1 1 65 65 LEU HB2 H 1 2.01 0.01 . 1 . . . . . . . . 4394 1 601 . 1 1 65 65 LEU HB3 H 1 2.01 0.01 . 1 . . . . . . . . 4394 1 602 . 1 1 65 65 LEU HD11 H 1 0.80 0.01 . 2 . . . . . . . . 4394 1 603 . 1 1 65 65 LEU HD12 H 1 0.80 0.01 . 2 . . . . . . . . 4394 1 604 . 1 1 65 65 LEU HD13 H 1 0.80 0.01 . 2 . . . . . . . . 4394 1 605 . 1 1 65 65 LEU HD21 H 1 0.79 0.01 . 2 . . . . . . . . 4394 1 606 . 1 1 65 65 LEU HD22 H 1 0.79 0.01 . 2 . . . . . . . . 4394 1 607 . 1 1 65 65 LEU HD23 H 1 0.79 0.01 . 2 . . . . . . . . 4394 1 608 . 1 1 65 65 LEU CA C 13 57.60 0.30 . 1 . . . . . . . . 4394 1 609 . 1 1 65 65 LEU CD1 C 13 22.20 0.30 . 1 . . . . . . . . 4394 1 610 . 1 1 65 65 LEU CD2 C 13 26.30 0.30 . 1 . . . . . . . . 4394 1 611 . 1 1 65 65 LEU N N 15 115.30 0.10 . 1 . . . . . . . . 4394 1 612 . 1 1 66 66 ASN H H 1 8.68 0.01 . 1 . . . . . . . . 4394 1 613 . 1 1 66 66 ASN HA H 1 4.67 0.01 . 1 . . . . . . . . 4394 1 614 . 1 1 66 66 ASN HB2 H 1 2.91 0.01 . 1 . . . . . . . . 4394 1 615 . 1 1 66 66 ASN HB3 H 1 3.04 0.01 . 1 . . . . . . . . 4394 1 616 . 1 1 66 66 ASN HD21 H 1 7.54 0.01 . 2 . . . . . . . . 4394 1 617 . 1 1 66 66 ASN HD22 H 1 6.95 0.01 . 2 . . . . . . . . 4394 1 618 . 1 1 66 66 ASN CA C 13 55.90 0.30 . 1 . . . . . . . . 4394 1 619 . 1 1 66 66 ASN CB C 13 38.00 0.30 . 1 . . . . . . . . 4394 1 620 . 1 1 66 66 ASN N N 15 114.10 0.10 . 1 . . . . . . . . 4394 1 621 . 1 1 66 66 ASN ND2 N 15 108.70 0.10 . 1 . . . . . . . . 4394 1 622 . 1 1 67 67 ARG H H 1 7.93 0.01 . 1 . . . . . . . . 4394 1 623 . 1 1 67 67 ARG HA H 1 4.23 0.01 . 1 . . . . . . . . 4394 1 624 . 1 1 67 67 ARG HB2 H 1 2.07 0.01 . 1 . . . . . . . . 4394 1 625 . 1 1 67 67 ARG HB3 H 1 2.18 0.01 . 1 . . . . . . . . 4394 1 626 . 1 1 67 67 ARG HG2 H 1 1.89 0.01 . 2 . . . . . . . . 4394 1 627 . 1 1 67 67 ARG HG3 H 1 1.81 0.01 . 2 . . . . . . . . 4394 1 628 . 1 1 67 67 ARG HD2 H 1 2.62 0.01 . 2 . . . . . . . . 4394 1 629 . 1 1 67 67 ARG HD3 H 1 2.98 0.01 . 2 . . . . . . . . 4394 1 630 . 1 1 67 67 ARG HE H 1 7.10 0.01 . 1 . . . . . . . . 4394 1 631 . 1 1 67 67 ARG CA C 13 59.30 0.30 . 1 . . . . . . . . 4394 1 632 . 1 1 67 67 ARG N N 15 119.10 0.10 . 1 . . . . . . . . 4394 1 633 . 1 1 67 67 ARG NE N 15 83.10 0.20 . 1 . . . . . . . . 4394 1 634 . 1 1 68 68 VAL H H 1 8.27 0.01 . 1 . . . . . . . . 4394 1 635 . 1 1 68 68 VAL HA H 1 3.89 0.01 . 1 . . . . . . . . 4394 1 636 . 1 1 68 68 VAL HB H 1 2.21 0.01 . 1 . . . . . . . . 4394 1 637 . 1 1 68 68 VAL HG11 H 1 1.06 0.01 . 1 . . . . . . . . 4394 1 638 . 1 1 68 68 VAL HG12 H 1 1.06 0.01 . 1 . . . . . . . . 4394 1 639 . 1 1 68 68 VAL HG13 H 1 1.06 0.01 . 1 . . . . . . . . 4394 1 640 . 1 1 68 68 VAL HG21 H 1 0.86 0.01 . 1 . . . . . . . . 4394 1 641 . 1 1 68 68 VAL HG22 H 1 0.86 0.01 . 1 . . . . . . . . 4394 1 642 . 1 1 68 68 VAL HG23 H 1 0.86 0.01 . 1 . . . . . . . . 4394 1 643 . 1 1 68 68 VAL CA C 13 66.50 0.30 . 1 . . . . . . . . 4394 1 644 . 1 1 68 68 VAL CB C 13 31.50 0.30 . 1 . . . . . . . . 4394 1 645 . 1 1 68 68 VAL CG1 C 13 23.20 0.30 . 1 . . . . . . . . 4394 1 646 . 1 1 68 68 VAL CG2 C 13 22.50 0.30 . 1 . . . . . . . . 4394 1 647 . 1 1 68 68 VAL N N 15 117.00 0.10 . 1 . . . . . . . . 4394 1 648 . 1 1 69 69 LYS H H 1 8.10 0.01 . 1 . . . . . . . . 4394 1 649 . 1 1 69 69 LYS HA H 1 3.94 0.01 . 1 . . . . . . . . 4394 1 650 . 1 1 69 69 LYS HB2 H 1 2.02 0.01 . 1 . . . . . . . . 4394 1 651 . 1 1 69 69 LYS HB3 H 1 2.14 0.01 . 1 . . . . . . . . 4394 1 652 . 1 1 69 69 LYS HG2 H 1 1.80 0.01 . 1 . . . . . . . . 4394 1 653 . 1 1 69 69 LYS HG3 H 1 1.80 0.01 . 1 . . . . . . . . 4394 1 654 . 1 1 69 69 LYS HD2 H 1 1.70 0.01 . 1 . . . . . . . . 4394 1 655 . 1 1 69 69 LYS HD3 H 1 1.70 0.01 . 1 . . . . . . . . 4394 1 656 . 1 1 69 69 LYS HE2 H 1 3.16 0.01 . 2 . . . . . . . . 4394 1 657 . 1 1 69 69 LYS HE3 H 1 3.08 0.01 . 2 . . . . . . . . 4394 1 658 . 1 1 69 69 LYS CA C 13 59.30 0.30 . 1 . . . . . . . . 4394 1 659 . 1 1 69 69 LYS CB C 13 31.10 0.30 . 1 . . . . . . . . 4394 1 660 . 1 1 69 69 LYS CG C 13 20.10 0.30 . 1 . . . . . . . . 4394 1 661 . 1 1 69 69 LYS CD C 13 23.60 0.30 . 1 . . . . . . . . 4394 1 662 . 1 1 69 69 LYS CE C 13 36.30 0.30 . 1 . . . . . . . . 4394 1 663 . 1 1 69 69 LYS N N 15 114.40 0.10 . 1 . . . . . . . . 4394 1 664 . 1 1 70 70 ASP H H 1 8.26 0.01 . 1 . . . . . . . . 4394 1 665 . 1 1 70 70 ASP HA H 1 4.66 0.01 . 1 . . . . . . . . 4394 1 666 . 1 1 70 70 ASP HB2 H 1 2.86 0.01 . 1 . . . . . . . . 4394 1 667 . 1 1 70 70 ASP HB3 H 1 3.02 0.01 . 1 . . . . . . . . 4394 1 668 . 1 1 70 70 ASP CA C 13 56.90 0.30 . 1 . . . . . . . . 4394 1 669 . 1 1 70 70 ASP CB C 13 39.70 0.30 . 1 . . . . . . . . 4394 1 670 . 1 1 70 70 ASP N N 15 118.40 0.10 . 1 . . . . . . . . 4394 1 671 . 1 1 71 71 ASP H H 1 9.22 0.01 . 1 . . . . . . . . 4394 1 672 . 1 1 71 71 ASP HA H 1 4.79 0.01 . 1 . . . . . . . . 4394 1 673 . 1 1 71 71 ASP HB2 H 1 2.81 0.01 . 1 . . . . . . . . 4394 1 674 . 1 1 71 71 ASP HB3 H 1 3.12 0.01 . 1 . . . . . . . . 4394 1 675 . 1 1 71 71 ASP CA C 13 56.90 0.30 . 1 . . . . . . . . 4394 1 676 . 1 1 71 71 ASP CB C 13 40.40 0.30 . 1 . . . . . . . . 4394 1 677 . 1 1 71 71 ASP N N 15 120.20 0.10 . 1 . . . . . . . . 4394 1 678 . 1 1 72 72 LEU H H 1 7.87 0.01 . 1 . . . . . . . . 4394 1 679 . 1 1 72 72 LEU HA H 1 4.88 0.01 . 1 . . . . . . . . 4394 1 680 . 1 1 72 72 LEU HB2 H 1 1.78 0.01 . 1 . . . . . . . . 4394 1 681 . 1 1 72 72 LEU HB3 H 1 1.84 0.01 . 1 . . . . . . . . 4394 1 682 . 1 1 72 72 LEU HD11 H 1 0.95 0.01 . 2 . . . . . . . . 4394 1 683 . 1 1 72 72 LEU HD12 H 1 0.95 0.01 . 2 . . . . . . . . 4394 1 684 . 1 1 72 72 LEU HD13 H 1 0.95 0.01 . 2 . . . . . . . . 4394 1 685 . 1 1 72 72 LEU HD21 H 1 0.86 0.01 . 2 . . . . . . . . 4394 1 686 . 1 1 72 72 LEU HD22 H 1 0.86 0.01 . 2 . . . . . . . . 4394 1 687 . 1 1 72 72 LEU HD23 H 1 0.86 0.01 . 2 . . . . . . . . 4394 1 688 . 1 1 72 72 LEU CA C 13 53.10 0.30 . 1 . . . . . . . . 4394 1 689 . 1 1 72 72 LEU CB C 13 41.10 0.30 . 1 . . . . . . . . 4394 1 690 . 1 1 72 72 LEU CD1 C 13 23.60 0.30 . 2 . . . . . . . . 4394 1 691 . 1 1 72 72 LEU CD2 C 13 27.30 0.30 . 2 . . . . . . . . 4394 1 692 . 1 1 72 72 LEU N N 15 115.10 0.10 . 1 . . . . . . . . 4394 1 693 . 1 1 73 73 GLN H H 1 7.58 0.01 . 1 . . . . . . . . 4394 1 694 . 1 1 73 73 GLN HA H 1 4.50 0.01 . 1 . . . . . . . . 4394 1 695 . 1 1 73 73 GLN HB2 H 1 2.61 0.01 . 1 . . . . . . . . 4394 1 696 . 1 1 73 73 GLN HB3 H 1 2.50 0.01 . 1 . . . . . . . . 4394 1 697 . 1 1 73 73 GLN HG2 H 1 2.86 0.01 . 1 . . . . . . . . 4394 1 698 . 1 1 73 73 GLN HG3 H 1 2.86 0.01 . 1 . . . . . . . . 4394 1 699 . 1 1 73 73 GLN HE21 H 1 7.88 0.01 . 2 . . . . . . . . 4394 1 700 . 1 1 73 73 GLN HE22 H 1 7.03 0.01 . 2 . . . . . . . . 4394 1 701 . 1 1 73 73 GLN CA C 13 59.00 0.30 . 1 . . . . . . . . 4394 1 702 . 1 1 73 73 GLN CB C 13 28.40 0.30 . 1 . . . . . . . . 4394 1 703 . 1 1 73 73 GLN CG C 13 32.80 0.30 . 1 . . . . . . . . 4394 1 704 . 1 1 73 73 GLN N N 15 118.60 0.10 . 1 . . . . . . . . 4394 1 705 . 1 1 73 73 GLN NE2 N 15 109.60 0.10 . 1 . . . . . . . . 4394 1 706 . 1 1 74 74 GLU H H 1 8.92 0.01 . 1 . . . . . . . . 4394 1 707 . 1 1 74 74 GLU HA H 1 4.49 0.01 . 1 . . . . . . . . 4394 1 708 . 1 1 74 74 GLU HB2 H 1 2.10 0.01 . 1 . . . . . . . . 4394 1 709 . 1 1 74 74 GLU HB3 H 1 2.32 0.01 . 1 . . . . . . . . 4394 1 710 . 1 1 74 74 GLU HG2 H 1 2.54 0.01 . 2 . . . . . . . . 4394 1 711 . 1 1 74 74 GLU HG3 H 1 2.43 0.01 . 2 . . . . . . . . 4394 1 712 . 1 1 74 74 GLU CA C 13 57.60 0.30 . 1 . . . . . . . . 4394 1 713 . 1 1 74 74 GLU CB C 13 29.40 0.30 . 1 . . . . . . . . 4394 1 714 . 1 1 74 74 GLU CG C 13 29.40 0.30 . 1 . . . . . . . . 4394 1 715 . 1 1 74 74 GLU N N 15 113.50 0.10 . 1 . . . . . . . . 4394 1 716 . 1 1 75 75 LEU H H 1 7.80 0.01 . 1 . . . . . . . . 4394 1 717 . 1 1 75 75 LEU HA H 1 4.77 0.01 . 1 . . . . . . . . 4394 1 718 . 1 1 75 75 LEU HB2 H 1 1.94 0.01 . 2 . . . . . . . . 4394 1 719 . 1 1 75 75 LEU HB3 H 1 1.80 0.01 . 2 . . . . . . . . 4394 1 720 . 1 1 75 75 LEU HG H 1 2.01 0.01 . 1 . . . . . . . . 4394 1 721 . 1 1 75 75 LEU HD11 H 1 1.18 0.01 . 2 . . . . . . . . 4394 1 722 . 1 1 75 75 LEU HD12 H 1 1.18 0.01 . 2 . . . . . . . . 4394 1 723 . 1 1 75 75 LEU HD13 H 1 1.18 0.01 . 2 . . . . . . . . 4394 1 724 . 1 1 75 75 LEU HD21 H 1 1.15 0.01 . 2 . . . . . . . . 4394 1 725 . 1 1 75 75 LEU HD22 H 1 1.15 0.01 . 2 . . . . . . . . 4394 1 726 . 1 1 75 75 LEU HD23 H 1 1.15 0.01 . 2 . . . . . . . . 4394 1 727 . 1 1 75 75 LEU CA C 13 54.80 0.30 . 1 . . . . . . . . 4394 1 728 . 1 1 75 75 LEU CB C 13 45.90 0.30 . 1 . . . . . . . . 4394 1 729 . 1 1 75 75 LEU CG C 13 32.80 0.30 . 1 . . . . . . . . 4394 1 730 . 1 1 75 75 LEU CD1 C 13 25.60 0.30 . 2 . . . . . . . . 4394 1 731 . 1 1 75 75 LEU CD2 C 13 24.60 0.30 . 2 . . . . . . . . 4394 1 732 . 1 1 75 75 LEU N N 15 114.50 0.10 . 1 . . . . . . . . 4394 1 733 . 1 1 76 76 ALA H H 1 8.49 0.01 . 1 . . . . . . . . 4394 1 734 . 1 1 76 76 ALA HA H 1 5.57 0.01 . 1 . . . . . . . . 4394 1 735 . 1 1 76 76 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 4394 1 736 . 1 1 76 76 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 4394 1 737 . 1 1 76 76 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 4394 1 738 . 1 1 76 76 ALA CA C 13 50.70 0.30 . 1 . . . . . . . . 4394 1 739 . 1 1 76 76 ALA CB C 13 24.90 0.30 . 1 . . . . . . . . 4394 1 740 . 1 1 76 76 ALA N N 15 120.10 0.10 . 1 . . . . . . . . 4394 1 741 . 1 1 77 77 VAL H H 1 9.32 0.01 . 1 . . . . . . . . 4394 1 742 . 1 1 77 77 VAL HA H 1 4.69 0.01 . 1 . . . . . . . . 4394 1 743 . 1 1 77 77 VAL HB H 1 2.21 0.01 . 1 . . . . . . . . 4394 1 744 . 1 1 77 77 VAL HG11 H 1 0.99 0.01 . 1 . . . . . . . . 4394 1 745 . 1 1 77 77 VAL HG12 H 1 0.99 0.01 . 1 . . . . . . . . 4394 1 746 . 1 1 77 77 VAL HG13 H 1 0.99 0.01 . 1 . . . . . . . . 4394 1 747 . 1 1 77 77 VAL HG21 H 1 1.07 0.01 . 1 . . . . . . . . 4394 1 748 . 1 1 77 77 VAL HG22 H 1 1.07 0.01 . 1 . . . . . . . . 4394 1 749 . 1 1 77 77 VAL HG23 H 1 1.07 0.01 . 1 . . . . . . . . 4394 1 750 . 1 1 77 77 VAL CA C 13 59.00 0.01 . 1 . . . . . . . . 4394 1 751 . 1 1 77 77 VAL CB C 13 33.90 0.01 . 1 . . . . . . . . 4394 1 752 . 1 1 77 77 VAL CG1 C 13 19.80 0.01 . 1 . . . . . . . . 4394 1 753 . 1 1 77 77 VAL CG2 C 13 21.50 0.01 . 1 . . . . . . . . 4394 1 754 . 1 1 77 77 VAL N N 15 113.30 0.10 . 1 . . . . . . . . 4394 1 755 . 1 1 78 78 VAL H H 1 8.92 0.01 . 1 . . . . . . . . 4394 1 756 . 1 1 78 78 VAL HA H 1 4.30 0.01 . 1 . . . . . . . . 4394 1 757 . 1 1 78 78 VAL HB H 1 2.21 0.01 . 1 . . . . . . . . 4394 1 758 . 1 1 78 78 VAL HG11 H 1 1.14 0.01 . 1 . . . . . . . . 4394 1 759 . 1 1 78 78 VAL HG12 H 1 1.14 0.01 . 1 . . . . . . . . 4394 1 760 . 1 1 78 78 VAL HG13 H 1 1.14 0.01 . 1 . . . . . . . . 4394 1 761 . 1 1 78 78 VAL HG21 H 1 1.09 0.01 . 1 . . . . . . . . 4394 1 762 . 1 1 78 78 VAL HG22 H 1 1.09 0.01 . 1 . . . . . . . . 4394 1 763 . 1 1 78 78 VAL HG23 H 1 1.09 0.01 . 1 . . . . . . . . 4394 1 764 . 1 1 78 78 VAL CA C 13 62.40 0.30 . 1 . . . . . . . . 4394 1 765 . 1 1 78 78 VAL CB C 13 31.10 0.30 . 1 . . . . . . . . 4394 1 766 . 1 1 78 78 VAL CG1 C 13 20.80 0.30 . 1 . . . . . . . . 4394 1 767 . 1 1 78 78 VAL CG2 C 13 17.40 0.30 . 1 . . . . . . . . 4394 1 768 . 1 1 78 78 VAL N N 15 121.50 0.10 . 1 . . . . . . . . 4394 1 769 . 1 1 79 79 GLU H H 1 9.16 0.01 . 1 . . . . . . . . 4394 1 770 . 1 1 79 79 GLU HA H 1 4.55 0.01 . 1 . . . . . . . . 4394 1 771 . 1 1 79 79 GLU HB2 H 1 2.00 0.01 . 1 . . . . . . . . 4394 1 772 . 1 1 79 79 GLU HB3 H 1 2.00 0.01 . 1 . . . . . . . . 4394 1 773 . 1 1 79 79 GLU HG2 H 1 2.36 0.01 . 1 . . . . . . . . 4394 1 774 . 1 1 79 79 GLU HG3 H 1 2.36 0.01 . 1 . . . . . . . . 4394 1 775 . 1 1 79 79 GLU CA C 13 57.60 0.30 . 1 . . . . . . . . 4394 1 776 . 1 1 79 79 GLU CB C 13 31.50 0.30 . 1 . . . . . . . . 4394 1 777 . 1 1 79 79 GLU N N 15 128.10 0.10 . 1 . . . . . . . . 4394 1 778 . 1 1 80 80 SER H H 1 7.88 0.01 . 1 . . . . . . . . 4394 1 779 . 1 1 80 80 SER HA H 1 4.86 0.01 . 1 . . . . . . . . 4394 1 780 . 1 1 80 80 SER HB2 H 1 3.91 0.01 . 2 . . . . . . . . 4394 1 781 . 1 1 80 80 SER HB3 H 1 3.86 0.01 . 2 . . . . . . . . 4394 1 782 . 1 1 80 80 SER CA C 13 57.60 0.30 . 1 . . . . . . . . 4394 1 783 . 1 1 80 80 SER CB C 13 64.10 0.30 . 1 . . . . . . . . 4394 1 784 . 1 1 80 80 SER N N 15 109.00 0.10 . 1 . . . . . . . . 4394 1 785 . 1 1 81 81 PHE H H 1 9.04 0.01 . 1 . . . . . . . . 4394 1 786 . 1 1 81 81 PHE HA H 1 5.10 0.01 . 1 . . . . . . . . 4394 1 787 . 1 1 81 81 PHE HB2 H 1 3.30 0.01 . 2 . . . . . . . . 4394 1 788 . 1 1 81 81 PHE HB3 H 1 3.09 0.01 . 2 . . . . . . . . 4394 1 789 . 1 1 81 81 PHE HD1 H 1 7.43 0.01 . 1 . . . . . . . . 4394 1 790 . 1 1 81 81 PHE HD2 H 1 7.43 0.01 . 1 . . . . . . . . 4394 1 791 . 1 1 81 81 PHE HE1 H 1 7.50 0.01 . 1 . . . . . . . . 4394 1 792 . 1 1 81 81 PHE HE2 H 1 7.50 0.01 . 1 . . . . . . . . 4394 1 793 . 1 1 81 81 PHE CA C 13 54.80 0.30 . 1 . . . . . . . . 4394 1 794 . 1 1 81 81 PHE CB C 13 41.80 0.30 . 1 . . . . . . . . 4394 1 795 . 1 1 81 81 PHE N N 15 126.40 0.10 . 1 . . . . . . . . 4394 1 796 . 1 1 82 82 PRO HA H 1 4.23 0.01 . 1 . . . . . . . . 4394 1 797 . 1 1 82 82 PRO HB2 H 1 1.71 0.01 . 2 . . . . . . . . 4394 1 798 . 1 1 82 82 PRO HB3 H 1 1.84 0.01 . 2 . . . . . . . . 4394 1 799 . 1 1 82 82 PRO HD2 H 1 3.64 0.01 . 2 . . . . . . . . 4394 1 800 . 1 1 82 82 PRO HD3 H 1 2.48 0.01 . 2 . . . . . . . . 4394 1 801 . 1 1 82 82 PRO CA C 13 56.20 0.30 . 1 . . . . . . . . 4394 1 802 . 1 1 82 82 PRO CB C 13 29.40 0.30 . 1 . . . . . . . . 4394 1 803 . 1 1 82 82 PRO CD C 13 49.30 0.30 . 1 . . . . . . . . 4394 1 804 . 1 1 83 83 THR H H 1 8.68 0.01 . 1 . . . . . . . . 4394 1 805 . 1 1 83 83 THR HA H 1 4.57 0.01 . 1 . . . . . . . . 4394 1 806 . 1 1 83 83 THR HB H 1 4.56 0.01 . 1 . . . . . . . . 4394 1 807 . 1 1 83 83 THR HG21 H 1 1.43 0.01 . 1 . . . . . . . . 4394 1 808 . 1 1 83 83 THR HG22 H 1 1.43 0.01 . 1 . . . . . . . . 4394 1 809 . 1 1 83 83 THR HG23 H 1 1.43 0.01 . 1 . . . . . . . . 4394 1 810 . 1 1 83 83 THR CA C 13 61.40 0.30 . 1 . . . . . . . . 4394 1 811 . 1 1 83 83 THR CB C 13 70.30 0.30 . 1 . . . . . . . . 4394 1 812 . 1 1 83 83 THR CG2 C 13 21.50 0.30 . 1 . . . . . . . . 4394 1 813 . 1 1 83 83 THR N N 15 107.20 0.10 . 1 . . . . . . . . 4394 1 814 . 1 1 84 84 LYS H H 1 7.83 0.01 . 1 . . . . . . . . 4394 1 815 . 1 1 84 84 LYS HA H 1 4.76 0.01 . 1 . . . . . . . . 4394 1 816 . 1 1 84 84 LYS HB2 H 1 1.94 0.01 . 1 . . . . . . . . 4394 1 817 . 1 1 84 84 LYS HB3 H 1 1.94 0.01 . 1 . . . . . . . . 4394 1 818 . 1 1 84 84 LYS HG2 H 1 1.56 0.01 . 1 . . . . . . . . 4394 1 819 . 1 1 84 84 LYS HG3 H 1 1.56 0.01 . 1 . . . . . . . . 4394 1 820 . 1 1 84 84 LYS CA C 13 54.50 0.30 . 1 . . . . . . . . 4394 1 821 . 1 1 84 84 LYS N N 15 116.10 0.10 . 1 . . . . . . . . 4394 1 822 . 1 1 85 85 ILE H H 1 8.55 0.01 . 1 . . . . . . . . 4394 1 823 . 1 1 85 85 ILE HA H 1 4.27 0.01 . 1 . . . . . . . . 4394 1 824 . 1 1 85 85 ILE HB H 1 1.80 0.01 . 1 . . . . . . . . 4394 1 825 . 1 1 85 85 ILE HG12 H 1 1.66 0.01 . 1 . . . . . . . . 4394 1 826 . 1 1 85 85 ILE HG13 H 1 1.66 0.01 . 1 . . . . . . . . 4394 1 827 . 1 1 85 85 ILE HG21 H 1 0.89 0.01 . 1 . . . . . . . . 4394 1 828 . 1 1 85 85 ILE HG22 H 1 0.89 0.01 . 1 . . . . . . . . 4394 1 829 . 1 1 85 85 ILE HG23 H 1 0.89 0.01 . 1 . . . . . . . . 4394 1 830 . 1 1 85 85 ILE HD11 H 1 0.61 0.01 . 1 . . . . . . . . 4394 1 831 . 1 1 85 85 ILE HD12 H 1 0.61 0.01 . 1 . . . . . . . . 4394 1 832 . 1 1 85 85 ILE HD13 H 1 0.61 0.01 . 1 . . . . . . . . 4394 1 833 . 1 1 85 85 ILE CA C 13 61.40 0.30 . 1 . . . . . . . . 4394 1 834 . 1 1 85 85 ILE CB C 13 38.30 0.30 . 1 . . . . . . . . 4394 1 835 . 1 1 85 85 ILE CG1 C 13 28.40 0.30 . 1 . . . . . . . . 4394 1 836 . 1 1 85 85 ILE CG2 C 13 17.40 0.30 . 1 . . . . . . . . 4394 1 837 . 1 1 85 85 ILE CD1 C 13 13.60 0.30 . 1 . . . . . . . . 4394 1 838 . 1 1 85 85 ILE N N 15 119.70 0.10 . 1 . . . . . . . . 4394 1 839 . 1 1 86 86 GLU H H 1 8.73 0.01 . 1 . . . . . . . . 4394 1 840 . 1 1 86 86 GLU HA H 1 4.79 0.01 . 1 . . . . . . . . 4394 1 841 . 1 1 86 86 GLU HB2 H 1 2.12 0.01 . 1 . . . . . . . . 4394 1 842 . 1 1 86 86 GLU HB3 H 1 2.20 0.01 . 1 . . . . . . . . 4394 1 843 . 1 1 86 86 GLU HG2 H 1 2.35 0.01 . 1 . . . . . . . . 4394 1 844 . 1 1 86 86 GLU HG3 H 1 2.35 0.01 . 1 . . . . . . . . 4394 1 845 . 1 1 86 86 GLU CA C 13 54.80 0.30 . 1 . . . . . . . . 4394 1 846 . 1 1 86 86 GLU CB C 13 31.50 0.30 . 1 . . . . . . . . 4394 1 847 . 1 1 86 86 GLU CG C 13 35.90 0.30 . 1 . . . . . . . . 4394 1 848 . 1 1 86 86 GLU N N 15 125.50 0.10 . 1 . . . . . . . . 4394 1 849 . 1 1 87 87 GLY HA2 H 1 4.18 0.01 . 2 . . . . . . . . 4394 1 850 . 1 1 87 87 GLY HA3 H 1 4.02 0.01 . 2 . . . . . . . . 4394 1 851 . 1 1 87 87 GLY CA C 13 45.90 0.30 . 1 . . . . . . . . 4394 1 852 . 1 1 88 88 ARG H H 1 8.89 0.01 . 1 . . . . . . . . 4394 1 853 . 1 1 88 88 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 4394 1 854 . 1 1 88 88 ARG HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4394 1 855 . 1 1 88 88 ARG HB3 H 1 2.29 0.02 . 2 . . . . . . . . 4394 1 856 . 1 1 88 88 ARG N N 15 114.60 0.10 . 1 . . . . . . . . 4394 1 857 . 1 1 89 89 GLN H H 1 7.96 0.01 . 1 . . . . . . . . 4394 1 858 . 1 1 89 89 GLN HA H 1 5.94 0.01 . 1 . . . . . . . . 4394 1 859 . 1 1 89 89 GLN HB2 H 1 2.23 0.01 . 2 . . . . . . . . 4394 1 860 . 1 1 89 89 GLN HB3 H 1 2.18 0.01 . 2 . . . . . . . . 4394 1 861 . 1 1 89 89 GLN HG2 H 1 2.51 0.01 . 1 . . . . . . . . 4394 1 862 . 1 1 89 89 GLN HG3 H 1 2.51 0.01 . 1 . . . . . . . . 4394 1 863 . 1 1 89 89 GLN HE21 H 1 7.50 0.01 . 2 . . . . . . . . 4394 1 864 . 1 1 89 89 GLN HE22 H 1 7.08 0.01 . 2 . . . . . . . . 4394 1 865 . 1 1 89 89 GLN CA C 13 53.80 0.30 . 1 . . . . . . . . 4394 1 866 . 1 1 89 89 GLN CB C 13 32.80 0.30 . 1 . . . . . . . . 4394 1 867 . 1 1 89 89 GLN CG C 13 33.20 0.30 . 1 . . . . . . . . 4394 1 868 . 1 1 89 89 GLN N N 15 113.10 0.10 . 1 . . . . . . . . 4394 1 869 . 1 1 89 89 GLN NE2 N 15 108.40 0.10 . 1 . . . . . . . . 4394 1 870 . 1 1 90 90 MET H H 1 8.94 0.01 . 1 . . . . . . . . 4394 1 871 . 1 1 90 90 MET HA H 1 5.02 0.01 . 1 . . . . . . . . 4394 1 872 . 1 1 90 90 MET HB2 H 1 2.12 0.01 . 2 . . . . . . . . 4394 1 873 . 1 1 90 90 MET HB3 H 1 2.02 0.01 . 2 . . . . . . . . 4394 1 874 . 1 1 90 90 MET HG2 H 1 2.69 0.01 . 1 . . . . . . . . 4394 1 875 . 1 1 90 90 MET HG3 H 1 2.69 0.01 . 1 . . . . . . . . 4394 1 876 . 1 1 90 90 MET HE1 H 1 2.13 0.01 . 1 . . . . . . . . 4394 1 877 . 1 1 90 90 MET HE2 H 1 2.13 0.01 . 1 . . . . . . . . 4394 1 878 . 1 1 90 90 MET HE3 H 1 2.13 0.01 . 1 . . . . . . . . 4394 1 879 . 1 1 90 90 MET CA C 13 55.50 0.30 . 1 . . . . . . . . 4394 1 880 . 1 1 90 90 MET CB C 13 37.70 0.30 . 1 . . . . . . . . 4394 1 881 . 1 1 90 90 MET CG C 13 33.20 0.30 . 1 . . . . . . . . 4394 1 882 . 1 1 90 90 MET CE C 13 17.40 0.30 . 1 . . . . . . . . 4394 1 883 . 1 1 90 90 MET N N 15 116.60 0.10 . 1 . . . . . . . . 4394 1 884 . 1 1 91 91 ILE H H 1 8.40 0.01 . 1 . . . . . . . . 4394 1 885 . 1 1 91 91 ILE HA H 1 5.40 0.01 . 1 . . . . . . . . 4394 1 886 . 1 1 91 91 ILE HB H 1 1.75 0.01 . 1 . . . . . . . . 4394 1 887 . 1 1 91 91 ILE HG12 H 1 1.58 0.01 . 2 . . . . . . . . 4394 1 888 . 1 1 91 91 ILE HG13 H 1 1.33 0.01 . 2 . . . . . . . . 4394 1 889 . 1 1 91 91 ILE HG21 H 1 0.90 0.01 . 1 . . . . . . . . 4394 1 890 . 1 1 91 91 ILE HG22 H 1 0.90 0.01 . 1 . . . . . . . . 4394 1 891 . 1 1 91 91 ILE HG23 H 1 0.90 0.01 . 1 . . . . . . . . 4394 1 892 . 1 1 91 91 ILE HD11 H 1 0.98 0.01 . 1 . . . . . . . . 4394 1 893 . 1 1 91 91 ILE HD12 H 1 0.98 0.01 . 1 . . . . . . . . 4394 1 894 . 1 1 91 91 ILE HD13 H 1 0.98 0.01 . 1 . . . . . . . . 4394 1 895 . 1 1 91 91 ILE CA C 13 59.70 0.30 . 1 . . . . . . . . 4394 1 896 . 1 1 91 91 ILE CB C 13 41.40 0.30 . 1 . . . . . . . . 4394 1 897 . 1 1 91 91 ILE CG1 C 13 27.30 0.30 . 1 . . . . . . . . 4394 1 898 . 1 1 91 91 ILE CG2 C 13 18.10 0.30 . 1 . . . . . . . . 4394 1 899 . 1 1 91 91 ILE CD1 C 13 13.90 0.30 . 1 . . . . . . . . 4394 1 900 . 1 1 91 91 ILE N N 15 119.00 0.10 . 1 . . . . . . . . 4394 1 901 . 1 1 92 92 MET H H 1 9.17 0.01 . 1 . . . . . . . . 4394 1 902 . 1 1 92 92 MET HA H 1 5.16 0.01 . 1 . . . . . . . . 4394 1 903 . 1 1 92 92 MET HB2 H 1 2.23 0.01 . 1 . . . . . . . . 4394 1 904 . 1 1 92 92 MET HB3 H 1 2.23 0.01 . 1 . . . . . . . . 4394 1 905 . 1 1 92 92 MET HG2 H 1 2.40 0.01 . 1 . . . . . . . . 4394 1 906 . 1 1 92 92 MET HG3 H 1 2.40 0.01 . 1 . . . . . . . . 4394 1 907 . 1 1 92 92 MET HE1 H 1 1.87 0.01 . 1 . . . . . . . . 4394 1 908 . 1 1 92 92 MET HE2 H 1 1.87 0.01 . 1 . . . . . . . . 4394 1 909 . 1 1 92 92 MET HE3 H 1 1.87 0.01 . 1 . . . . . . . . 4394 1 910 . 1 1 92 92 MET CA C 13 53.50 0.30 . 1 . . . . . . . . 4394 1 911 . 1 1 92 92 MET CE C 13 17.40 0.30 . 1 . . . . . . . . 4394 1 912 . 1 1 92 92 MET N N 15 124.90 0.10 . 1 . . . . . . . . 4394 1 913 . 1 1 93 93 VAL H H 1 8.76 0.01 . 1 . . . . . . . . 4394 1 914 . 1 1 93 93 VAL HA H 1 5.32 0.01 . 1 . . . . . . . . 4394 1 915 . 1 1 93 93 VAL HB H 1 2.05 0.01 . 1 . . . . . . . . 4394 1 916 . 1 1 93 93 VAL HG11 H 1 1.00 0.01 . 1 . . . . . . . . 4394 1 917 . 1 1 93 93 VAL HG12 H 1 1.00 0.01 . 1 . . . . . . . . 4394 1 918 . 1 1 93 93 VAL HG13 H 1 1.00 0.01 . 1 . . . . . . . . 4394 1 919 . 1 1 93 93 VAL HG21 H 1 1.00 0.01 . 1 . . . . . . . . 4394 1 920 . 1 1 93 93 VAL HG22 H 1 1.00 0.01 . 1 . . . . . . . . 4394 1 921 . 1 1 93 93 VAL HG23 H 1 1.00 0.01 . 1 . . . . . . . . 4394 1 922 . 1 1 93 93 VAL CA C 13 61.00 0.30 . 1 . . . . . . . . 4394 1 923 . 1 1 93 93 VAL CB C 13 33.20 0.30 . 1 . . . . . . . . 4394 1 924 . 1 1 93 93 VAL CG1 C 13 20.80 0.30 . 1 . . . . . . . . 4394 1 925 . 1 1 93 93 VAL CG2 C 13 20.80 0.30 . 1 . . . . . . . . 4394 1 926 . 1 1 93 93 VAL N N 15 123.70 0.10 . 1 . . . . . . . . 4394 1 927 . 1 1 94 94 LEU H H 1 9.61 0.01 . 1 . . . . . . . . 4394 1 928 . 1 1 94 94 LEU HA H 1 5.51 0.01 . 1 . . . . . . . . 4394 1 929 . 1 1 94 94 LEU HB2 H 1 1.98 0.01 . 2 . . . . . . . . 4394 1 930 . 1 1 94 94 LEU HB3 H 1 1.60 0.01 . 2 . . . . . . . . 4394 1 931 . 1 1 94 94 LEU HD11 H 1 1.07 0.01 . 2 . . . . . . . . 4394 1 932 . 1 1 94 94 LEU HD12 H 1 1.07 0.01 . 2 . . . . . . . . 4394 1 933 . 1 1 94 94 LEU HD13 H 1 1.07 0.01 . 2 . . . . . . . . 4394 1 934 . 1 1 94 94 LEU HD21 H 1 0.93 0.01 . 2 . . . . . . . . 4394 1 935 . 1 1 94 94 LEU HD22 H 1 0.93 0.01 . 2 . . . . . . . . 4394 1 936 . 1 1 94 94 LEU HD23 H 1 0.93 0.01 . 2 . . . . . . . . 4394 1 937 . 1 1 94 94 LEU CA C 13 52.80 0.30 . 1 . . . . . . . . 4394 1 938 . 1 1 94 94 LEU CB C 13 45.20 0.30 . 1 . . . . . . . . 4394 1 939 . 1 1 94 94 LEU CD1 C 13 24.20 0.30 . 2 . . . . . . . . 4394 1 940 . 1 1 94 94 LEU CD2 C 13 27.00 0.30 . 2 . . . . . . . . 4394 1 941 . 1 1 94 94 LEU N N 15 125.30 0.10 . 1 . . . . . . . . 4394 1 942 . 1 1 95 95 ALA H H 1 9.27 0.01 . 1 . . . . . . . . 4394 1 943 . 1 1 95 95 ALA HA H 1 5.21 0.01 . 1 . . . . . . . . 4394 1 944 . 1 1 95 95 ALA HB1 H 1 1.49 0.01 . 1 . . . . . . . . 4394 1 945 . 1 1 95 95 ALA HB2 H 1 1.49 0.01 . 1 . . . . . . . . 4394 1 946 . 1 1 95 95 ALA HB3 H 1 1.49 0.01 . 1 . . . . . . . . 4394 1 947 . 1 1 95 95 ALA CA C 13 48.00 0.30 . 1 . . . . . . . . 4394 1 948 . 1 1 95 95 ALA CB C 13 20.50 0.30 . 1 . . . . . . . . 4394 1 949 . 1 1 95 95 ALA N N 15 120.30 0.10 . 1 . . . . . . . . 4394 1 950 . 1 1 96 96 PRO HA H 1 4.79 0.01 . 1 . . . . . . . . 4394 1 951 . 1 1 96 96 PRO HB2 H 1 2.65 0.01 . 2 . . . . . . . . 4394 1 952 . 1 1 96 96 PRO HB3 H 1 2.13 0.01 . 2 . . . . . . . . 4394 1 953 . 1 1 96 96 PRO HG2 H 1 2.18 0.01 . 1 . . . . . . . . 4394 1 954 . 1 1 96 96 PRO HG3 H 1 2.18 0.01 . 1 . . . . . . . . 4394 1 955 . 1 1 96 96 PRO HD2 H 1 3.89 0.01 . 2 . . . . . . . . 4394 1 956 . 1 1 96 96 PRO HD3 H 1 3.74 0.01 . 2 . . . . . . . . 4394 1 957 . 1 1 96 96 PRO CA C 13 62.70 0.30 . 1 . . . . . . . . 4394 1 958 . 1 1 96 96 PRO CB C 13 31.50 0.30 . 1 . . . . . . . . 4394 1 959 . 1 1 96 96 PRO CD C 13 50.00 0.30 . 1 . . . . . . . . 4394 1 960 . 1 1 97 97 LYS H H 1 8.23 0.01 . 1 . . . . . . . . 4394 1 961 . 1 1 97 97 LYS HA H 1 4.30 0.01 . 1 . . . . . . . . 4394 1 962 . 1 1 97 97 LYS HB2 H 1 2.17 0.01 . 1 . . . . . . . . 4394 1 963 . 1 1 97 97 LYS HB3 H 1 2.17 0.01 . 1 . . . . . . . . 4394 1 964 . 1 1 97 97 LYS HG2 H 1 1.50 0.01 . 2 . . . . . . . . 4394 1 965 . 1 1 97 97 LYS HG3 H 1 1.40 0.01 . 2 . . . . . . . . 4394 1 966 . 1 1 97 97 LYS HD2 H 1 1.82 0.01 . 2 . . . . . . . . 4394 1 967 . 1 1 97 97 LYS HD3 H 1 1.56 0.01 . 2 . . . . . . . . 4394 1 968 . 1 1 97 97 LYS HE2 H 1 3.10 0.01 . 1 . . . . . . . . 4394 1 969 . 1 1 97 97 LYS HE3 H 1 3.10 0.01 . 1 . . . . . . . . 4394 1 970 . 1 1 97 97 LYS CA C 13 56.60 0.30 . 1 . . . . . . . . 4394 1 971 . 1 1 97 97 LYS CB C 13 31.80 0.30 . 1 . . . . . . . . 4394 1 972 . 1 1 97 97 LYS CG C 13 25.30 0.30 . 1 . . . . . . . . 4394 1 973 . 1 1 97 97 LYS CD C 13 33.90 0.30 . 1 . . . . . . . . 4394 1 974 . 1 1 97 97 LYS CE C 13 41.80 0.30 . 1 . . . . . . . . 4394 1 975 . 1 1 97 97 LYS N N 15 120.90 0.10 . 1 . . . . . . . . 4394 1 976 . 1 1 98 98 LYS H H 1 8.56 0.01 . 1 . . . . . . . . 4394 1 977 . 1 1 98 98 LYS HA H 1 4.51 0.01 . 1 . . . . . . . . 4394 1 978 . 1 1 98 98 LYS HB2 H 1 1.83 0.01 . 1 . . . . . . . . 4394 1 979 . 1 1 98 98 LYS HB3 H 1 1.83 0.01 . 1 . . . . . . . . 4394 1 980 . 1 1 98 98 LYS N N 15 120.90 0.10 . 1 . . . . . . . . 4394 1 981 . 1 1 99 99 LYS H H 1 8.60 0.01 . 1 . . . . . . . . 4394 1 982 . 1 1 99 99 LYS HA H 1 4.54 0.01 . 1 . . . . . . . . 4394 1 983 . 1 1 99 99 LYS N N 15 122.40 0.10 . 1 . . . . . . . . 4394 1 984 . 1 1 100 100 GLN H H 1 8.21 0.01 . 1 . . . . . . . . 4394 1 985 . 1 1 100 100 GLN N N 15 124.50 0.10 . 1 . . . . . . . . 4394 1 stop_ save_